data_9GPM
# 
_entry.id   9GPM 
# 
_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   9GPM         pdb_00009gpm 10.2210/pdb9gpm/pdb 
WWPDB D_1292141128 ?            ?                   
# 
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 2025-01-15 ? 
2 'Structure model' 1 1 2025-03-12 ? 
3 'Structure model' 1 2 2025-03-19 ? 
# 
_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             ? 
# 
loop_
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.group 
1 2 'Structure model' 'Database references' 
2 3 'Structure model' '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 
3 3 'Structure model' citation        
4 3 '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.name'             
5 3 'Structure model' '_citation.page_first'              
6 3 'Structure model' '_citation.page_last'               
7 3 '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                        9GPM 
_pdbx_database_status.recvd_initial_deposition_date   2024-09-09 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              felix.hausch@tu-darmstadt.de 
_pdbx_contact_author.name_first         Felix 
_pdbx_contact_author.name_last          Hausch 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-3710-8838 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Meyners, C.' 1 ? 
'Buffa, V.'   2 ? 
'Walz, C.'    3 ? 
'Hausch, F.'  4 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   GE 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Angew.Chem.Int.Ed.Engl. 
_citation.journal_id_ASTM           ACIEAY 
_citation.journal_id_CSD            0179 
_citation.journal_id_ISSN           1521-3773 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            64 
_citation.language                  ? 
_citation.page_first                e202418512 
_citation.page_last                 e202418512 
_citation.title                     
'Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/anie.202418512 
_citation.pdbx_database_id_PubMed   39749563 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Buffa, V.'        1  ?                   
primary 'Walz, C.'         2  ?                   
primary 'Meyners, C.'      3  ?                   
primary 'Zheng, M.'        4  ?                   
primary 'Oki Sugiarto, W.' 5  ?                   
primary 'Repity, M.'       6  ?                   
primary 'Achaq, H.'        7  ?                   
primary 'Brudy, C.'        8  ?                   
primary 'Spiske, M.'       9  ?                   
primary 'Cica, M.'         10 ?                   
primary 'Hausch, F.'       11 0000-0002-3710-8838 
# 
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 'Peptidyl-prolyl cis-trans isomerase FKBP5' 14004.026 2   5.2.1.8 'A19T, C103A, C107I' ? ? 
2 non-polymer syn 
;3-cyclohexyl-17,18-dimethoxy-11,15-dioxa-1,18lambda4-dithia-5-aza-17lambda4-polonapentacyclo[15.4.0.04,9.013,18.018,23]henicosane-2,12-dione
;
540.651   2   ?       ?                    ? ? 
3 water       nat water 18.015    147 ?       ?                    ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;PPIase FKBP5,51 kDa FK506-binding protein,FKBP-51,54 kDa progesterone receptor-associated immunophilin,Androgen-regulated protein 6,FF1 antigen,FK506-binding protein 5,FKBP-5,FKBP54,p54,HSP90-binding immunophilin,Rotamase
;
# 
_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       
;GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDI
GVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDI
GVATMKKGEIAHLLIKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
;
_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 
;3-cyclohexyl-17,18-dimethoxy-11,15-dioxa-1,18lambda4-dithia-5-aza-17lambda4-polonapentacyclo[15.4.0.04,9.013,18.018,23]henicosane-2,12-dione
;
A1INM 
3 water HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   ALA n 
1 3   PRO n 
1 4   ALA n 
1 5   THR n 
1 6   VAL n 
1 7   THR n 
1 8   GLU n 
1 9   GLN n 
1 10  GLY n 
1 11  GLU n 
1 12  ASP n 
1 13  ILE n 
1 14  THR n 
1 15  SER n 
1 16  LYS n 
1 17  LYS n 
1 18  ASP n 
1 19  ARG n 
1 20  GLY n 
1 21  VAL n 
1 22  LEU n 
1 23  LYS n 
1 24  ILE n 
1 25  VAL n 
1 26  LYS n 
1 27  ARG n 
1 28  VAL n 
1 29  GLY n 
1 30  ASN n 
1 31  GLY n 
1 32  GLU n 
1 33  GLU n 
1 34  THR n 
1 35  PRO n 
1 36  MET n 
1 37  ILE n 
1 38  GLY n 
1 39  ASP n 
1 40  LYS n 
1 41  VAL n 
1 42  TYR n 
1 43  VAL n 
1 44  HIS n 
1 45  TYR n 
1 46  LYS n 
1 47  GLY n 
1 48  LYS n 
1 49  LEU n 
1 50  SER n 
1 51  ASN n 
1 52  GLY n 
1 53  LYS n 
1 54  LYS n 
1 55  PHE n 
1 56  ASP n 
1 57  SER n 
1 58  SER n 
1 59  HIS n 
1 60  ASP n 
1 61  ARG n 
1 62  ASN n 
1 63  GLU n 
1 64  PRO n 
1 65  PHE n 
1 66  VAL n 
1 67  PHE n 
1 68  SER n 
1 69  LEU n 
1 70  GLY n 
1 71  LYS n 
1 72  GLY n 
1 73  GLN n 
1 74  VAL n 
1 75  ILE n 
1 76  LYS n 
1 77  ALA n 
1 78  TRP n 
1 79  ASP n 
1 80  ILE n 
1 81  GLY n 
1 82  VAL n 
1 83  ALA n 
1 84  THR n 
1 85  MET n 
1 86  LYS n 
1 87  LYS n 
1 88  GLY n 
1 89  GLU n 
1 90  ILE n 
1 91  ALA n 
1 92  HIS n 
1 93  LEU n 
1 94  LEU n 
1 95  ILE n 
1 96  LYS n 
1 97  PRO n 
1 98  GLU n 
1 99  TYR n 
1 100 ALA n 
1 101 TYR n 
1 102 GLY n 
1 103 SER n 
1 104 ALA n 
1 105 GLY n 
1 106 SER n 
1 107 LEU n 
1 108 PRO n 
1 109 LYS n 
1 110 ILE n 
1 111 PRO n 
1 112 SER n 
1 113 ASN n 
1 114 ALA n 
1 115 THR n 
1 116 LEU n 
1 117 PHE n 
1 118 PHE n 
1 119 GLU n 
1 120 ILE n 
1 121 GLU n 
1 122 LEU n 
1 123 LEU n 
1 124 ASP n 
1 125 PHE n 
1 126 LYS n 
1 127 GLY n 
1 128 GLU 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                   128 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'FKBP5, AIG6, FKBP51' 
_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-Gold(DE3)pLysS AG'
;
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     866768 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1INM non-polymer         . 
;3-cyclohexyl-17,18-dimethoxy-11,15-dioxa-1,18lambda4-dithia-5-aza-17lambda4-polonapentacyclo[15.4.0.04,9.013,18.018,23]henicosane-2,12-dione
;
? 'C29 H40 N4 O6'  540.651 
ALA   'L-peptide linking' y ALANINE ? 'C3 H7 N O2'     89.093  
ARG   'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 
ASN   'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3'    132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS   'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S'   121.158 
GLN   'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'     147.129 
GLY   'peptide linking'   y GLYCINE ? 'C2 H5 N O2'     75.067  
HIS   'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer         . WATER ? 'H2 O'           18.015  
ILE   'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2'    131.173 
LEU   'L-peptide linking' y LEUCINE ? 'C6 H13 N O2'    131.173 
LYS   'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 
MET   'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S'  149.211 
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'    165.189 
PRO   'L-peptide linking' y PROLINE ? 'C5 H9 N O2'     115.130 
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'     105.093 
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   GLY 1   13  13  GLY GLY A . n 
A 1 2   ALA 2   14  14  ALA ALA A . n 
A 1 3   PRO 3   15  15  PRO PRO A . n 
A 1 4   ALA 4   16  16  ALA ALA A . n 
A 1 5   THR 5   17  17  THR THR A . n 
A 1 6   VAL 6   18  18  VAL VAL A . n 
A 1 7   THR 7   19  19  THR THR A . n 
A 1 8   GLU 8   20  20  GLU GLU A . n 
A 1 9   GLN 9   21  21  GLN GLN A . n 
A 1 10  GLY 10  22  22  GLY GLY A . n 
A 1 11  GLU 11  23  23  GLU GLU A . n 
A 1 12  ASP 12  24  24  ASP ASP A . n 
A 1 13  ILE 13  25  25  ILE ILE A . n 
A 1 14  THR 14  26  26  THR THR A . n 
A 1 15  SER 15  27  27  SER SER A . n 
A 1 16  LYS 16  28  28  LYS LYS A . n 
A 1 17  LYS 17  29  29  LYS LYS A . n 
A 1 18  ASP 18  30  30  ASP ASP A . n 
A 1 19  ARG 19  31  31  ARG ARG A . n 
A 1 20  GLY 20  32  32  GLY GLY A . n 
A 1 21  VAL 21  33  33  VAL VAL A . n 
A 1 22  LEU 22  34  34  LEU LEU A . n 
A 1 23  LYS 23  35  35  LYS LYS A . n 
A 1 24  ILE 24  36  36  ILE ILE A . n 
A 1 25  VAL 25  37  37  VAL VAL A . n 
A 1 26  LYS 26  38  38  LYS LYS A . n 
A 1 27  ARG 27  39  39  ARG ARG A . n 
A 1 28  VAL 28  40  40  VAL VAL A . n 
A 1 29  GLY 29  41  41  GLY GLY A . n 
A 1 30  ASN 30  42  42  ASN ASN A . n 
A 1 31  GLY 31  43  43  GLY GLY A . n 
A 1 32  GLU 32  44  44  GLU GLU A . n 
A 1 33  GLU 33  45  45  GLU GLU A . n 
A 1 34  THR 34  46  46  THR THR A . n 
A 1 35  PRO 35  47  47  PRO PRO A . n 
A 1 36  MET 36  48  48  MET MET A . n 
A 1 37  ILE 37  49  49  ILE ILE A . n 
A 1 38  GLY 38  50  50  GLY GLY A . n 
A 1 39  ASP 39  51  51  ASP ASP A . n 
A 1 40  LYS 40  52  52  LYS LYS A . n 
A 1 41  VAL 41  53  53  VAL VAL A . n 
A 1 42  TYR 42  54  54  TYR TYR A . n 
A 1 43  VAL 43  55  55  VAL VAL A . n 
A 1 44  HIS 44  56  56  HIS HIS A . n 
A 1 45  TYR 45  57  57  TYR TYR A . n 
A 1 46  LYS 46  58  58  LYS LYS A . n 
A 1 47  GLY 47  59  59  GLY GLY A . n 
A 1 48  LYS 48  60  60  LYS LYS A . n 
A 1 49  LEU 49  61  61  LEU LEU A . n 
A 1 50  SER 50  62  62  SER SER A . n 
A 1 51  ASN 51  63  63  ASN ASN A . n 
A 1 52  GLY 52  64  64  GLY GLY A . n 
A 1 53  LYS 53  65  65  LYS LYS A . n 
A 1 54  LYS 54  66  66  LYS LYS A . n 
A 1 55  PHE 55  67  67  PHE PHE A . n 
A 1 56  ASP 56  68  68  ASP ASP A . n 
A 1 57  SER 57  69  69  SER SER A . n 
A 1 58  SER 58  70  70  SER SER A . n 
A 1 59  HIS 59  71  71  HIS HIS A . n 
A 1 60  ASP 60  72  72  ASP ASP A . n 
A 1 61  ARG 61  73  73  ARG ARG A . n 
A 1 62  ASN 62  74  74  ASN ASN A . n 
A 1 63  GLU 63  75  75  GLU GLU A . n 
A 1 64  PRO 64  76  76  PRO PRO A . n 
A 1 65  PHE 65  77  77  PHE PHE A . n 
A 1 66  VAL 66  78  78  VAL VAL A . n 
A 1 67  PHE 67  79  79  PHE PHE A . n 
A 1 68  SER 68  80  80  SER SER A . n 
A 1 69  LEU 69  81  81  LEU LEU A . n 
A 1 70  GLY 70  82  82  GLY GLY A . n 
A 1 71  LYS 71  83  83  LYS LYS A . n 
A 1 72  GLY 72  84  84  GLY GLY A . n 
A 1 73  GLN 73  85  85  GLN GLN A . n 
A 1 74  VAL 74  86  86  VAL VAL A . n 
A 1 75  ILE 75  87  87  ILE ILE A . n 
A 1 76  LYS 76  88  88  LYS LYS A . n 
A 1 77  ALA 77  89  89  ALA ALA A . n 
A 1 78  TRP 78  90  90  TRP TRP A . n 
A 1 79  ASP 79  91  91  ASP ASP A . n 
A 1 80  ILE 80  92  92  ILE ILE A . n 
A 1 81  GLY 81  93  93  GLY GLY A . n 
A 1 82  VAL 82  94  94  VAL VAL A . n 
A 1 83  ALA 83  95  95  ALA ALA A . n 
A 1 84  THR 84  96  96  THR THR A . n 
A 1 85  MET 85  97  97  MET MET A . n 
A 1 86  LYS 86  98  98  LYS LYS A . n 
A 1 87  LYS 87  99  99  LYS LYS A . n 
A 1 88  GLY 88  100 100 GLY GLY A . n 
A 1 89  GLU 89  101 101 GLU GLU A . n 
A 1 90  ILE 90  102 102 ILE ILE A . n 
A 1 91  ALA 91  103 103 ALA ALA A . n 
A 1 92  HIS 92  104 104 HIS HIS A . n 
A 1 93  LEU 93  105 105 LEU LEU A . n 
A 1 94  LEU 94  106 106 LEU LEU A . n 
A 1 95  ILE 95  107 107 ILE ILE A . n 
A 1 96  LYS 96  108 108 LYS LYS A . n 
A 1 97  PRO 97  109 109 PRO PRO A . n 
A 1 98  GLU 98  110 110 GLU GLU A . n 
A 1 99  TYR 99  111 111 TYR TYR A . n 
A 1 100 ALA 100 112 112 ALA ALA A . n 
A 1 101 TYR 101 113 113 TYR TYR A . n 
A 1 102 GLY 102 114 114 GLY GLY A . n 
A 1 103 SER 103 115 115 SER SER A . n 
A 1 104 ALA 104 116 116 ALA ALA A . n 
A 1 105 GLY 105 117 117 GLY GLY A . n 
A 1 106 SER 106 118 118 SER SER A . n 
A 1 107 LEU 107 119 119 LEU LEU A . n 
A 1 108 PRO 108 120 120 PRO PRO A . n 
A 1 109 LYS 109 121 121 LYS LYS A . n 
A 1 110 ILE 110 122 122 ILE ILE A . n 
A 1 111 PRO 111 123 123 PRO PRO A . n 
A 1 112 SER 112 124 124 SER SER A . n 
A 1 113 ASN 113 125 125 ASN ASN A . n 
A 1 114 ALA 114 126 126 ALA ALA A . n 
A 1 115 THR 115 127 127 THR THR A . n 
A 1 116 LEU 116 128 128 LEU LEU A . n 
A 1 117 PHE 117 129 129 PHE PHE A . n 
A 1 118 PHE 118 130 130 PHE PHE A . n 
A 1 119 GLU 119 131 131 GLU GLU A . n 
A 1 120 ILE 120 132 132 ILE ILE A . n 
A 1 121 GLU 121 133 133 GLU GLU A . n 
A 1 122 LEU 122 134 134 LEU LEU A . n 
A 1 123 LEU 123 135 135 LEU LEU A . n 
A 1 124 ASP 124 136 136 ASP ASP A . n 
A 1 125 PHE 125 137 137 PHE PHE A . n 
A 1 126 LYS 126 138 138 LYS LYS A . n 
A 1 127 GLY 127 139 139 GLY GLY A . n 
A 1 128 GLU 128 140 140 GLU GLU A . n 
B 1 1   GLY 1   13  13  GLY GLY B . n 
B 1 2   ALA 2   14  14  ALA ALA B . n 
B 1 3   PRO 3   15  15  PRO PRO B . n 
B 1 4   ALA 4   16  16  ALA ALA B . n 
B 1 5   THR 5   17  17  THR THR B . n 
B 1 6   VAL 6   18  18  VAL VAL B . n 
B 1 7   THR 7   19  19  THR THR B . n 
B 1 8   GLU 8   20  20  GLU GLU B . n 
B 1 9   GLN 9   21  21  GLN GLN B . n 
B 1 10  GLY 10  22  22  GLY GLY B . n 
B 1 11  GLU 11  23  23  GLU GLU B . n 
B 1 12  ASP 12  24  24  ASP ASP B . n 
B 1 13  ILE 13  25  25  ILE ILE B . n 
B 1 14  THR 14  26  26  THR THR B . n 
B 1 15  SER 15  27  27  SER SER B . n 
B 1 16  LYS 16  28  28  LYS LYS B . n 
B 1 17  LYS 17  29  29  LYS LYS B . n 
B 1 18  ASP 18  30  30  ASP ASP B . n 
B 1 19  ARG 19  31  31  ARG ARG B . n 
B 1 20  GLY 20  32  32  GLY GLY B . n 
B 1 21  VAL 21  33  33  VAL VAL B . n 
B 1 22  LEU 22  34  34  LEU LEU B . n 
B 1 23  LYS 23  35  35  LYS LYS B . n 
B 1 24  ILE 24  36  36  ILE ILE B . n 
B 1 25  VAL 25  37  37  VAL VAL B . n 
B 1 26  LYS 26  38  38  LYS LYS B . n 
B 1 27  ARG 27  39  39  ARG ARG B . n 
B 1 28  VAL 28  40  40  VAL VAL B . n 
B 1 29  GLY 29  41  41  GLY GLY B . n 
B 1 30  ASN 30  42  42  ASN ASN B . n 
B 1 31  GLY 31  43  43  GLY GLY B . n 
B 1 32  GLU 32  44  44  GLU GLU B . n 
B 1 33  GLU 33  45  45  GLU GLU B . n 
B 1 34  THR 34  46  46  THR THR B . n 
B 1 35  PRO 35  47  47  PRO PRO B . n 
B 1 36  MET 36  48  48  MET MET B . n 
B 1 37  ILE 37  49  49  ILE ILE B . n 
B 1 38  GLY 38  50  50  GLY GLY B . n 
B 1 39  ASP 39  51  51  ASP ASP B . n 
B 1 40  LYS 40  52  52  LYS LYS B . n 
B 1 41  VAL 41  53  53  VAL VAL B . n 
B 1 42  TYR 42  54  54  TYR TYR B . n 
B 1 43  VAL 43  55  55  VAL VAL B . n 
B 1 44  HIS 44  56  56  HIS HIS B . n 
B 1 45  TYR 45  57  57  TYR TYR B . n 
B 1 46  LYS 46  58  58  LYS LYS B . n 
B 1 47  GLY 47  59  59  GLY GLY B . n 
B 1 48  LYS 48  60  60  LYS LYS B . n 
B 1 49  LEU 49  61  61  LEU LEU B . n 
B 1 50  SER 50  62  62  SER SER B . n 
B 1 51  ASN 51  63  63  ASN ASN B . n 
B 1 52  GLY 52  64  64  GLY GLY B . n 
B 1 53  LYS 53  65  65  LYS LYS B . n 
B 1 54  LYS 54  66  66  LYS LYS B . n 
B 1 55  PHE 55  67  67  PHE PHE B . n 
B 1 56  ASP 56  68  68  ASP ASP B . n 
B 1 57  SER 57  69  69  SER SER B . n 
B 1 58  SER 58  70  70  SER SER B . n 
B 1 59  HIS 59  71  71  HIS HIS B . n 
B 1 60  ASP 60  72  72  ASP ASP B . n 
B 1 61  ARG 61  73  73  ARG ARG B . n 
B 1 62  ASN 62  74  74  ASN ASN B . n 
B 1 63  GLU 63  75  75  GLU GLU B . n 
B 1 64  PRO 64  76  76  PRO PRO B . n 
B 1 65  PHE 65  77  77  PHE PHE B . n 
B 1 66  VAL 66  78  78  VAL VAL B . n 
B 1 67  PHE 67  79  79  PHE PHE B . n 
B 1 68  SER 68  80  80  SER SER B . n 
B 1 69  LEU 69  81  81  LEU LEU B . n 
B 1 70  GLY 70  82  82  GLY GLY B . n 
B 1 71  LYS 71  83  83  LYS LYS B . n 
B 1 72  GLY 72  84  84  GLY GLY B . n 
B 1 73  GLN 73  85  85  GLN GLN B . n 
B 1 74  VAL 74  86  86  VAL VAL B . n 
B 1 75  ILE 75  87  87  ILE ILE B . n 
B 1 76  LYS 76  88  88  LYS LYS B . n 
B 1 77  ALA 77  89  89  ALA ALA B . n 
B 1 78  TRP 78  90  90  TRP TRP B . n 
B 1 79  ASP 79  91  91  ASP ASP B . n 
B 1 80  ILE 80  92  92  ILE ILE B . n 
B 1 81  GLY 81  93  93  GLY GLY B . n 
B 1 82  VAL 82  94  94  VAL VAL B . n 
B 1 83  ALA 83  95  95  ALA ALA B . n 
B 1 84  THR 84  96  96  THR THR B . n 
B 1 85  MET 85  97  97  MET MET B . n 
B 1 86  LYS 86  98  98  LYS LYS B . n 
B 1 87  LYS 87  99  99  LYS LYS B . n 
B 1 88  GLY 88  100 100 GLY GLY B . n 
B 1 89  GLU 89  101 101 GLU GLU B . n 
B 1 90  ILE 90  102 102 ILE ILE B . n 
B 1 91  ALA 91  103 103 ALA ALA B . n 
B 1 92  HIS 92  104 104 HIS HIS B . n 
B 1 93  LEU 93  105 105 LEU LEU B . n 
B 1 94  LEU 94  106 106 LEU LEU B . n 
B 1 95  ILE 95  107 107 ILE ILE B . n 
B 1 96  LYS 96  108 108 LYS LYS B . n 
B 1 97  PRO 97  109 109 PRO PRO B . n 
B 1 98  GLU 98  110 110 GLU GLU B . n 
B 1 99  TYR 99  111 111 TYR TYR B . n 
B 1 100 ALA 100 112 112 ALA ALA B . n 
B 1 101 TYR 101 113 113 TYR TYR B . n 
B 1 102 GLY 102 114 114 GLY GLY B . n 
B 1 103 SER 103 115 115 SER SER B . n 
B 1 104 ALA 104 116 116 ALA ALA B . n 
B 1 105 GLY 105 117 117 GLY GLY B . n 
B 1 106 SER 106 118 118 SER SER B . n 
B 1 107 LEU 107 119 119 LEU LEU B . n 
B 1 108 PRO 108 120 120 PRO PRO B . n 
B 1 109 LYS 109 121 121 LYS LYS B . n 
B 1 110 ILE 110 122 122 ILE ILE B . n 
B 1 111 PRO 111 123 123 PRO PRO B . n 
B 1 112 SER 112 124 124 SER SER B . n 
B 1 113 ASN 113 125 125 ASN ASN B . n 
B 1 114 ALA 114 126 126 ALA ALA B . n 
B 1 115 THR 115 127 127 THR THR B . n 
B 1 116 LEU 116 128 128 LEU LEU B . n 
B 1 117 PHE 117 129 129 PHE PHE B . n 
B 1 118 PHE 118 130 130 PHE PHE B . n 
B 1 119 GLU 119 131 131 GLU GLU B . n 
B 1 120 ILE 120 132 132 ILE ILE B . n 
B 1 121 GLU 121 133 133 GLU GLU B . n 
B 1 122 LEU 122 134 134 LEU LEU B . n 
B 1 123 LEU 123 135 135 LEU LEU B . n 
B 1 124 ASP 124 136 136 ASP ASP B . n 
B 1 125 PHE 125 137 137 PHE PHE B . n 
B 1 126 LYS 126 138 138 LYS LYS B . n 
B 1 127 GLY 127 139 139 GLY GLY B . n 
B 1 128 GLU 128 140 140 GLU GLU B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1INM 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1INM 
_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 A1INM 1  201 201 A1INM DRG A . 
D 2 A1INM 1  201 201 A1INM DRG B . 
E 3 HOH   1  301 146 HOH   HOH A . 
E 3 HOH   2  302 143 HOH   HOH A . 
E 3 HOH   3  303 137 HOH   HOH A . 
E 3 HOH   4  304 15  HOH   HOH A . 
E 3 HOH   5  305 98  HOH   HOH A . 
E 3 HOH   6  306 36  HOH   HOH A . 
E 3 HOH   7  307 61  HOH   HOH A . 
E 3 HOH   8  308 77  HOH   HOH A . 
E 3 HOH   9  309 139 HOH   HOH A . 
E 3 HOH   10 310 4   HOH   HOH A . 
E 3 HOH   11 311 72  HOH   HOH A . 
E 3 HOH   12 312 104 HOH   HOH A . 
E 3 HOH   13 313 8   HOH   HOH A . 
E 3 HOH   14 314 59  HOH   HOH A . 
E 3 HOH   15 315 13  HOH   HOH A . 
E 3 HOH   16 316 128 HOH   HOH A . 
E 3 HOH   17 317 37  HOH   HOH A . 
E 3 HOH   18 318 39  HOH   HOH A . 
E 3 HOH   19 319 16  HOH   HOH A . 
E 3 HOH   20 320 108 HOH   HOH A . 
E 3 HOH   21 321 20  HOH   HOH A . 
E 3 HOH   22 322 96  HOH   HOH A . 
E 3 HOH   23 323 17  HOH   HOH A . 
E 3 HOH   24 324 97  HOH   HOH A . 
E 3 HOH   25 325 7   HOH   HOH A . 
E 3 HOH   26 326 9   HOH   HOH A . 
E 3 HOH   27 327 99  HOH   HOH A . 
E 3 HOH   28 328 58  HOH   HOH A . 
E 3 HOH   29 329 45  HOH   HOH A . 
E 3 HOH   30 330 79  HOH   HOH A . 
E 3 HOH   31 331 11  HOH   HOH A . 
E 3 HOH   32 332 60  HOH   HOH A . 
E 3 HOH   33 333 134 HOH   HOH A . 
E 3 HOH   34 334 144 HOH   HOH A . 
E 3 HOH   35 335 135 HOH   HOH A . 
E 3 HOH   36 336 81  HOH   HOH A . 
E 3 HOH   37 337 78  HOH   HOH A . 
E 3 HOH   38 338 73  HOH   HOH A . 
E 3 HOH   39 339 103 HOH   HOH A . 
E 3 HOH   40 340 90  HOH   HOH A . 
E 3 HOH   41 341 53  HOH   HOH A . 
E 3 HOH   42 342 56  HOH   HOH A . 
E 3 HOH   43 343 48  HOH   HOH A . 
E 3 HOH   44 344 55  HOH   HOH A . 
E 3 HOH   45 345 54  HOH   HOH A . 
E 3 HOH   46 346 83  HOH   HOH A . 
E 3 HOH   47 347 51  HOH   HOH A . 
E 3 HOH   48 348 120 HOH   HOH A . 
E 3 HOH   49 349 2   HOH   HOH A . 
E 3 HOH   50 350 101 HOH   HOH A . 
E 3 HOH   51 351 5   HOH   HOH A . 
E 3 HOH   52 352 26  HOH   HOH A . 
E 3 HOH   53 353 93  HOH   HOH A . 
E 3 HOH   54 354 123 HOH   HOH A . 
E 3 HOH   55 355 136 HOH   HOH A . 
E 3 HOH   56 356 92  HOH   HOH A . 
E 3 HOH   57 357 70  HOH   HOH A . 
E 3 HOH   58 358 130 HOH   HOH A . 
E 3 HOH   59 359 47  HOH   HOH A . 
E 3 HOH   60 360 127 HOH   HOH A . 
E 3 HOH   61 361 142 HOH   HOH A . 
E 3 HOH   62 362 121 HOH   HOH A . 
E 3 HOH   63 363 75  HOH   HOH A . 
E 3 HOH   64 364 29  HOH   HOH A . 
E 3 HOH   65 365 148 HOH   HOH A . 
E 3 HOH   66 366 115 HOH   HOH A . 
E 3 HOH   67 367 140 HOH   HOH A . 
E 3 HOH   68 368 43  HOH   HOH A . 
F 3 HOH   1  301 129 HOH   HOH B . 
F 3 HOH   2  302 84  HOH   HOH B . 
F 3 HOH   3  303 42  HOH   HOH B . 
F 3 HOH   4  304 24  HOH   HOH B . 
F 3 HOH   5  305 107 HOH   HOH B . 
F 3 HOH   6  306 95  HOH   HOH B . 
F 3 HOH   7  307 31  HOH   HOH B . 
F 3 HOH   8  308 18  HOH   HOH B . 
F 3 HOH   9  309 100 HOH   HOH B . 
F 3 HOH   10 310 133 HOH   HOH B . 
F 3 HOH   11 311 68  HOH   HOH B . 
F 3 HOH   12 312 50  HOH   HOH B . 
F 3 HOH   13 313 125 HOH   HOH B . 
F 3 HOH   14 314 114 HOH   HOH B . 
F 3 HOH   15 315 57  HOH   HOH B . 
F 3 HOH   16 316 80  HOH   HOH B . 
F 3 HOH   17 317 94  HOH   HOH B . 
F 3 HOH   18 318 41  HOH   HOH B . 
F 3 HOH   19 319 102 HOH   HOH B . 
F 3 HOH   20 320 40  HOH   HOH B . 
F 3 HOH   21 321 10  HOH   HOH B . 
F 3 HOH   22 322 3   HOH   HOH B . 
F 3 HOH   23 323 32  HOH   HOH B . 
F 3 HOH   24 324 82  HOH   HOH B . 
F 3 HOH   25 325 46  HOH   HOH B . 
F 3 HOH   26 326 132 HOH   HOH B . 
F 3 HOH   27 327 85  HOH   HOH B . 
F 3 HOH   28 328 124 HOH   HOH B . 
F 3 HOH   29 329 35  HOH   HOH B . 
F 3 HOH   30 330 12  HOH   HOH B . 
F 3 HOH   31 331 6   HOH   HOH B . 
F 3 HOH   32 332 21  HOH   HOH B . 
F 3 HOH   33 333 65  HOH   HOH B . 
F 3 HOH   34 334 33  HOH   HOH B . 
F 3 HOH   35 335 28  HOH   HOH B . 
F 3 HOH   36 336 66  HOH   HOH B . 
F 3 HOH   37 337 23  HOH   HOH B . 
F 3 HOH   38 338 44  HOH   HOH B . 
F 3 HOH   39 339 52  HOH   HOH B . 
F 3 HOH   40 340 76  HOH   HOH B . 
F 3 HOH   41 341 74  HOH   HOH B . 
F 3 HOH   42 342 110 HOH   HOH B . 
F 3 HOH   43 343 89  HOH   HOH B . 
F 3 HOH   44 344 106 HOH   HOH B . 
F 3 HOH   45 345 25  HOH   HOH B . 
F 3 HOH   46 346 87  HOH   HOH B . 
F 3 HOH   47 347 38  HOH   HOH B . 
F 3 HOH   48 348 19  HOH   HOH B . 
F 3 HOH   49 349 63  HOH   HOH B . 
F 3 HOH   50 350 30  HOH   HOH B . 
F 3 HOH   51 351 34  HOH   HOH B . 
F 3 HOH   52 352 1   HOH   HOH B . 
F 3 HOH   53 353 14  HOH   HOH B . 
F 3 HOH   54 354 86  HOH   HOH B . 
F 3 HOH   55 355 126 HOH   HOH B . 
F 3 HOH   56 356 122 HOH   HOH B . 
F 3 HOH   57 357 105 HOH   HOH B . 
F 3 HOH   58 358 116 HOH   HOH B . 
F 3 HOH   59 359 62  HOH   HOH B . 
F 3 HOH   60 360 27  HOH   HOH B . 
F 3 HOH   61 361 88  HOH   HOH B . 
F 3 HOH   62 362 91  HOH   HOH B . 
F 3 HOH   63 363 69  HOH   HOH B . 
F 3 HOH   64 364 109 HOH   HOH B . 
F 3 HOH   65 365 67  HOH   HOH B . 
F 3 HOH   66 366 111 HOH   HOH B . 
F 3 HOH   67 367 22  HOH   HOH B . 
F 3 HOH   68 368 117 HOH   HOH B . 
F 3 HOH   69 369 71  HOH   HOH B . 
F 3 HOH   70 370 118 HOH   HOH B . 
F 3 HOH   71 371 119 HOH   HOH B . 
F 3 HOH   72 372 145 HOH   HOH B . 
F 3 HOH   73 373 113 HOH   HOH B . 
F 3 HOH   74 374 64  HOH   HOH B . 
F 3 HOH   75 375 141 HOH   HOH B . 
F 3 HOH   76 376 147 HOH   HOH B . 
F 3 HOH   77 377 138 HOH   HOH B . 
F 3 HOH   78 378 49  HOH   HOH B . 
F 3 HOH   79 379 131 HOH   HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 A GLU 44  ? CG  ? A GLU 32  CG  
2  1 Y 1 A GLU 44  ? CD  ? A GLU 32  CD  
3  1 Y 1 A GLU 44  ? OE1 ? A GLU 32  OE1 
4  1 Y 1 A GLU 44  ? OE2 ? A GLU 32  OE2 
5  1 Y 1 A GLU 45  ? CG  ? A GLU 33  CG  
6  1 Y 1 A GLU 45  ? CD  ? A GLU 33  CD  
7  1 Y 1 A GLU 45  ? OE1 ? A GLU 33  OE1 
8  1 Y 1 A GLU 45  ? OE2 ? A GLU 33  OE2 
9  1 Y 1 A ASN 63  ? CG  ? A ASN 51  CG  
10 1 Y 1 A ASN 63  ? OD1 ? A ASN 51  OD1 
11 1 Y 1 A ASN 63  ? ND2 ? A ASN 51  ND2 
12 1 Y 1 A LYS 65  ? CG  ? A LYS 53  CG  
13 1 Y 1 A LYS 65  ? CD  ? A LYS 53  CD  
14 1 Y 1 A LYS 65  ? CE  ? A LYS 53  CE  
15 1 Y 1 A LYS 65  ? NZ  ? A LYS 53  NZ  
16 1 Y 1 A LYS 66  ? CG  ? A LYS 54  CG  
17 1 Y 1 A LYS 66  ? CD  ? A LYS 54  CD  
18 1 Y 1 A LYS 66  ? CE  ? A LYS 54  CE  
19 1 Y 1 A LYS 66  ? NZ  ? A LYS 54  NZ  
20 1 Y 1 A ASP 72  ? CG  ? A ASP 60  CG  
21 1 Y 1 A ASP 72  ? OD1 ? A ASP 60  OD1 
22 1 Y 1 A ASP 72  ? OD2 ? A ASP 60  OD2 
23 1 Y 1 A ARG 73  ? CG  ? A ARG 61  CG  
24 1 Y 1 A ARG 73  ? CD  ? A ARG 61  CD  
25 1 Y 1 A ARG 73  ? NE  ? A ARG 61  NE  
26 1 Y 1 A ARG 73  ? CZ  ? A ARG 61  CZ  
27 1 Y 1 A ARG 73  ? NH1 ? A ARG 61  NH1 
28 1 Y 1 A ARG 73  ? NH2 ? A ARG 61  NH2 
29 1 Y 1 A ASN 74  ? CG  ? A ASN 62  CG  
30 1 Y 1 A ASN 74  ? OD1 ? A ASN 62  OD1 
31 1 Y 1 A ASN 74  ? ND2 ? A ASN 62  ND2 
32 1 Y 1 A LYS 88  ? CG  ? A LYS 76  CG  
33 1 Y 1 A LYS 88  ? CD  ? A LYS 76  CD  
34 1 Y 1 A LYS 88  ? CE  ? A LYS 76  CE  
35 1 Y 1 A LYS 88  ? NZ  ? A LYS 76  NZ  
36 1 Y 1 A LYS 121 ? CG  ? A LYS 109 CG  
37 1 Y 1 A LYS 121 ? CD  ? A LYS 109 CD  
38 1 Y 1 A LYS 121 ? CE  ? A LYS 109 CE  
39 1 Y 1 A LYS 121 ? NZ  ? A LYS 109 NZ  
40 1 Y 1 A LYS 138 ? CG  ? A LYS 126 CG  
41 1 Y 1 A LYS 138 ? CD  ? A LYS 126 CD  
42 1 Y 1 A LYS 138 ? CE  ? A LYS 126 CE  
43 1 Y 1 A LYS 138 ? NZ  ? A LYS 126 NZ  
44 1 Y 1 A GLU 140 ? CG  ? A GLU 128 CG  
45 1 Y 1 A GLU 140 ? CD  ? A GLU 128 CD  
46 1 Y 1 A GLU 140 ? OE1 ? A GLU 128 OE1 
47 1 Y 1 A GLU 140 ? OE2 ? A GLU 128 OE2 
48 1 Y 1 B GLU 44  ? CG  ? B GLU 32  CG  
49 1 Y 1 B GLU 44  ? CD  ? B GLU 32  CD  
50 1 Y 1 B GLU 44  ? OE1 ? B GLU 32  OE1 
51 1 Y 1 B GLU 44  ? OE2 ? B GLU 32  OE2 
52 1 Y 1 B GLU 45  ? CG  ? B GLU 33  CG  
53 1 Y 1 B GLU 45  ? CD  ? B GLU 33  CD  
54 1 Y 1 B GLU 45  ? OE1 ? B GLU 33  OE1 
55 1 Y 1 B GLU 45  ? OE2 ? B GLU 33  OE2 
56 1 Y 1 B LYS 58  ? CG  ? B LYS 46  CG  
57 1 Y 1 B LYS 58  ? CD  ? B LYS 46  CD  
58 1 Y 1 B LYS 58  ? CE  ? B LYS 46  CE  
59 1 Y 1 B LYS 58  ? NZ  ? B LYS 46  NZ  
60 1 Y 1 B LYS 60  ? CG  ? B LYS 48  CG  
61 1 Y 1 B LYS 60  ? CD  ? B LYS 48  CD  
62 1 Y 1 B LYS 60  ? CE  ? B LYS 48  CE  
63 1 Y 1 B LYS 60  ? NZ  ? B LYS 48  NZ  
64 1 Y 1 B LYS 65  ? CG  ? B LYS 53  CG  
65 1 Y 1 B LYS 65  ? CD  ? B LYS 53  CD  
66 1 Y 1 B LYS 65  ? CE  ? B LYS 53  CE  
67 1 Y 1 B LYS 65  ? NZ  ? B LYS 53  NZ  
68 1 Y 1 B LYS 66  ? CG  ? B LYS 54  CG  
69 1 Y 1 B LYS 66  ? CD  ? B LYS 54  CD  
70 1 Y 1 B LYS 66  ? CE  ? B LYS 54  CE  
71 1 Y 1 B LYS 66  ? NZ  ? B LYS 54  NZ  
72 1 Y 1 B ARG 73  ? CG  ? B ARG 61  CG  
73 1 Y 1 B ARG 73  ? CD  ? B ARG 61  CD  
74 1 Y 1 B ARG 73  ? NE  ? B ARG 61  NE  
75 1 Y 1 B ARG 73  ? CZ  ? B ARG 61  CZ  
76 1 Y 1 B ARG 73  ? NH1 ? B ARG 61  NH1 
77 1 Y 1 B ARG 73  ? NH2 ? B ARG 61  NH2 
78 1 Y 1 B ASN 74  ? CG  ? B ASN 62  CG  
79 1 Y 1 B ASN 74  ? OD1 ? B ASN 62  OD1 
80 1 Y 1 B ASN 74  ? ND2 ? B ASN 62  ND2 
81 1 Y 1 B LYS 83  ? CG  ? B LYS 71  CG  
82 1 Y 1 B LYS 83  ? CD  ? B LYS 71  CD  
83 1 Y 1 B LYS 83  ? CE  ? B LYS 71  CE  
84 1 Y 1 B LYS 83  ? NZ  ? B LYS 71  NZ  
85 1 Y 1 B LYS 88  ? CG  ? B LYS 76  CG  
86 1 Y 1 B LYS 88  ? CD  ? B LYS 76  CD  
87 1 Y 1 B LYS 88  ? CE  ? B LYS 76  CE  
88 1 Y 1 B LYS 88  ? NZ  ? B LYS 76  NZ  
89 1 Y 1 B LYS 138 ? CG  ? B LYS 126 CG  
90 1 Y 1 B LYS 138 ? CD  ? B LYS 126 CD  
91 1 Y 1 B LYS 138 ? CE  ? B LYS 126 CE  
92 1 Y 1 B LYS 138 ? NZ  ? B LYS 126 NZ  
93 1 Y 1 B GLU 140 ? CG  ? B GLU 128 CG  
94 1 Y 1 B GLU 140 ? CD  ? B GLU 128 CD  
95 1 Y 1 B GLU 140 ? OE1 ? B GLU 128 OE1 
96 1 Y 1 B GLU 140 ? OE2 ? B GLU 128 OE2 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC  ? ? ? '5.8.0430 (refmacat 0.4.82)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? autoXDS ? ? ? .                            2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .                            3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .                            4 
# 
_cell.angle_alpha                  90 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9GPM 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     49.078 
_cell.length_a_esd                 ? 
_cell.length_b                     49.078 
_cell.length_b_esd                 ? 
_cell.length_c                     194.169 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        12 
_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                         9GPM 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                154 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 32 2 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9GPM 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.41 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          48.97 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_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    '14% PEG3350, 0.2M ammonium acetate, 0.1M HEPES-NaOH pH 7.5, 10% glycol' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 S 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-05-20 
_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   0.918400 
_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                        'BESSY BEAMLINE 14.1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.918400 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   14.1 
_diffrn_source.pdbx_synchrotron_site       BESSY 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9GPM 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.55 
_reflns.d_resolution_low                               48.54 
_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                                     40705 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           100.0 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                10.6 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          24.1 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               1.04 
_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                                0.041 
_reflns.pdbx_Rpim_I_all                                0.017 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1.000 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.037 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_measured_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.number_unique_obs 
_reflns_shell.percent_possible_obs 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.meanI_over_sigI_gt 
_reflns_shell.meanI_over_uI_all 
_reflns_shell.meanI_over_uI_gt 
_reflns_shell.number_measured_gt 
_reflns_shell.number_unique_gt 
_reflns_shell.percent_possible_gt 
_reflns_shell.Rmerge_F_gt 
_reflns_shell.Rmerge_I_gt 
_reflns_shell.pdbx_redundancy 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_netI_over_sigmaI_all 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_rejects 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_CC_star 
_reflns_shell.pdbx_R_split 
_reflns_shell.percent_possible_all 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_percent_possible_ellipsoidal 
_reflns_shell.pdbx_percent_possible_spherical 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous 
_reflns_shell.pdbx_percent_possible_spherical_anomalous 
_reflns_shell.pdbx_redundancy_anomalous 
_reflns_shell.pdbx_CC_half_anomalous 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous 
_reflns_shell.pdbx_percent_possible_anomalous 
8.49 48.54 ? 76.8 ? ? ? ? 318  ? ? ? ? ? ? ? ? ? ? ? 8.6  0.89 ? ? 0.022 0.009 ? 1 ? 1.000 ? ? 98.9  ? 0.020 ? ? ? ? ? ? ? ? ? 
1.55 1.58  ? 1.6  ? ? ? ? 1992 ? ? ? ? ? ? ? ? ? ? ? 11.0 1.05 ? ? 1.650 0.685 ? 2 ? 0.548 ? ? 100.0 ? 1.499 ? ? ? ? ? ? ? ? ? 
# 
_refine.aniso_B[1][1]                            -0.828 
_refine.aniso_B[1][2]                            -0.414 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.828 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            2.685 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               36.060 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.961 
_refine.correlation_coeff_Fo_to_Fc_free          0.939 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9GPM 
_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                            1.550 
_refine.ls_d_res_low                             42.539 
_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                     40628 
_refine.ls_number_reflns_R_free                  1978 
_refine.ls_number_reflns_R_work                  38650 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.978 
_refine.ls_percent_reflns_R_free                 4.869 
_refine.ls_R_factor_all                          0.203 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2449 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2004 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.104 
_refine.pdbx_overall_ESU_R_Free                  0.090 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             5.317 
_refine.overall_SU_ML                            0.081 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.550 
_refine_hist.d_res_low                        42.539 
_refine_hist.number_atoms_solvent             147 
_refine_hist.number_atoms_total               2103 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1878 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         78 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.011  0.012  2014 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1868 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.771  1.816  2730 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.597  1.746  4350 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 8.689  5.000  256  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 24.297 13.571 14   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 12.005 10.000 308  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.130 10.000 68   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.095  0.200  299  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.010  0.020  2292 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  404  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.197  0.200  389  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.198  0.200  1692 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.178  0.200  1039 ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.089  0.200  1027 ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.170  0.200  108  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.394  0.200  11   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.251  0.200  30   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.262  0.200  12   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 6.228  2.048  1027 ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.226  2.048  1027 ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 8.634  3.683  1282 ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 8.632  3.683  1283 ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 6.356  2.134  987  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 6.353  2.135  988  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 8.642  3.865  1448 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 8.639  3.865  1449 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 13.056 21.131 2277 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 12.982 20.662 2251 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.589  3.000  3882 ? r_rigid_bond_restr             ? ? 
'X-RAY DIFFRACTION' ? 0.112  0.050  3607 ? r_ncsr_local_group_1           ? ? 
# 
loop_
_refine_ls_restr_ncs.pdbx_refine_id 
_refine_ls_restr_ncs.dom_id 
_refine_ls_restr_ncs.ncs_model_details 
_refine_ls_restr_ncs.rms_dev_B_iso 
_refine_ls_restr_ncs.rms_dev_position 
_refine_ls_restr_ncs.weight_B_iso 
_refine_ls_restr_ncs.weight_position 
_refine_ls_restr_ncs.pdbx_ordinal 
_refine_ls_restr_ncs.pdbx_type 
_refine_ls_restr_ncs.pdbx_asym_id 
_refine_ls_restr_ncs.pdbx_auth_asym_id 
_refine_ls_restr_ncs.pdbx_number 
_refine_ls_restr_ncs.pdbx_rms 
_refine_ls_restr_ncs.pdbx_weight 
_refine_ls_restr_ncs.pdbx_ens_id 
'X-RAY DIFFRACTION' 1 ? ? 0.11207 ? 0.05008 1 'Local ncs' ? A ? ? ? 1 
'X-RAY DIFFRACTION' 2 ? ? 0.11207 ? 0.05008 2 'Local ncs' ? B ? ? ? 1 
# 
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' 1.550 1.590  2950 . 141 2809 100.0000 . 0.278 . . 0.276 . . . . . 0.271 . 20 . 0.940 0.926 0.310 
'X-RAY DIFFRACTION' 1.590 1.634  2909 . 144 2765 100.0000 . 0.248 . . 0.247 . . . . . 0.239 . 20 . 0.955 0.948 0.266 
'X-RAY DIFFRACTION' 1.634 1.681  2751 . 144 2607 100.0000 . 0.224 . . 0.220 . . . . . 0.208 . 20 . 0.967 0.939 0.296 
'X-RAY DIFFRACTION' 1.681 1.733  2720 . 145 2575 100.0000 . 0.224 . . 0.219 . . . . . 0.201 . 20 . 0.969 0.927 0.313 
'X-RAY DIFFRACTION' 1.733 1.789  2621 . 124 2497 100.0000 . 0.195 . . 0.192 . . . . . 0.170 . 20 . 0.977 0.955 0.255 
'X-RAY DIFFRACTION' 1.789 1.852  2571 . 120 2450 99.9611  . 0.185 . . 0.181 . . . . . 0.159 . 20 . 0.979 0.941 0.261 
'X-RAY DIFFRACTION' 1.852 1.922  2453 . 98  2355 100.0000 . 0.190 . . 0.187 . . . . . 0.165 . 20 . 0.977 0.953 0.264 
'X-RAY DIFFRACTION' 1.922 2.000  2386 . 89  2297 100.0000 . 0.195 . . 0.193 . . . . . 0.172 . 20 . 0.975 0.961 0.229 
'X-RAY DIFFRACTION' 2.000 2.089  2280 . 111 2169 100.0000 . 0.189 . . 0.186 . . . . . 0.168 . 20 . 0.978 0.959 0.243 
'X-RAY DIFFRACTION' 2.089 2.191  2211 . 120 2091 100.0000 . 0.176 . . 0.174 . . . . . 0.160 . 20 . 0.981 0.968 0.221 
'X-RAY DIFFRACTION' 2.191 2.309  2097 . 77  2020 100.0000 . 0.185 . . 0.183 . . . . . 0.168 . 20 . 0.979 0.959 0.244 
'X-RAY DIFFRACTION' 2.309 2.448  2010 . 126 1884 100.0000 . 0.182 . . 0.178 . . . . . 0.168 . 20 . 0.980 0.963 0.235 
'X-RAY DIFFRACTION' 2.448 2.617  1844 . 73  1771 100.0000 . 0.183 . . 0.179 . . . . . 0.176 . 20 . 0.980 0.960 0.273 
'X-RAY DIFFRACTION' 2.617 2.826  1773 . 92  1681 100.0000 . 0.196 . . 0.194 . . . . . 0.193 . 20 . 0.976 0.964 0.226 
'X-RAY DIFFRACTION' 2.826 3.094  1625 . 104 1520 99.9385  . 0.195 . . 0.193 . . . . . 0.197 . 20 . 0.975 0.969 0.236 
'X-RAY DIFFRACTION' 3.094 3.457  1486 . 56  1429 99.9327  . 0.224 . . 0.222 . . . . . 0.234 . 20 . 0.970 0.954 0.266 
'X-RAY DIFFRACTION' 3.457 3.987  1320 . 70  1250 100.0000 . 0.207 . . 0.204 . . . . . 0.224 . 20 . 0.975 0.954 0.263 
'X-RAY DIFFRACTION' 3.987 4.873  1156 . 68  1088 100.0000 . 0.178 . . 0.175 . . . . . 0.206 . 20 . 0.982 0.967 0.236 
'X-RAY DIFFRACTION' 4.873 6.846  906  . 52  854  100.0000 . 0.226 . . 0.229 . . . . . 0.266 . 20 . 0.971 0.982 0.180 
'X-RAY DIFFRACTION' 6.846 42.539 567  . 24  538  99.1182  . 0.257 . . 0.254 . . . . . 0.313 . 20 . 0.950 0.958 0.306 
# 
loop_
_struct_ncs_dom.id 
_struct_ncs_dom.pdbx_ens_id 
_struct_ncs_dom.details 
1 1 A 
2 1 B 
# 
loop_
_struct_ncs_dom_lim.pdbx_ens_id 
_struct_ncs_dom_lim.dom_id 
_struct_ncs_dom_lim.pdbx_component_id 
_struct_ncs_dom_lim.beg_label_asym_id 
_struct_ncs_dom_lim.beg_label_comp_id 
_struct_ncs_dom_lim.beg_label_seq_id 
_struct_ncs_dom_lim.beg_label_alt_id 
_struct_ncs_dom_lim.end_label_asym_id 
_struct_ncs_dom_lim.end_label_comp_id 
_struct_ncs_dom_lim.end_label_seq_id 
_struct_ncs_dom_lim.end_label_alt_id 
_struct_ncs_dom_lim.beg_auth_asym_id 
_struct_ncs_dom_lim.beg_auth_comp_id 
_struct_ncs_dom_lim.beg_auth_seq_id 
_struct_ncs_dom_lim.end_auth_asym_id 
_struct_ncs_dom_lim.end_auth_comp_id 
_struct_ncs_dom_lim.end_auth_seq_id 
_struct_ncs_dom_lim.pdbx_refine_code 
_struct_ncs_dom_lim.selection_details 
1 1 1 A GLY 1 . A GLU 128 . A GLY 13 A GLU 140 ? ? 
1 2 1 B GLY 1 . B GLU 128 . B GLY 13 B GLU 140 ? ? 
# 
_struct_ncs_ens.id        1 
_struct_ncs_ens.details   'Local NCS retraints between domains:       1       2' 
# 
_struct.entry_id                     9GPM 
_struct.title                        'The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12c/i' 
_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        9GPM 
_struct_keywords.text            'FKBP, Inhibitor, SAFIT, Macrocycle, Complex, ISOMERASE' 
_struct_keywords.pdbx_keywords   ISOMERASE 
# 
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 2 ? 
E N N 3 ? 
F N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    FKBP5_HUMAN 
_struct_ref.pdbx_db_accession          Q13451 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;ATVAEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVA
TMKKGEICHLLCKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGE
;
_struct_ref.pdbx_align_begin           16 
# 
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 9GPM A 4 ? 128 ? Q13451 16 ? 140 ? 16 140 
2 1 9GPM B 4 ? 128 ? Q13451 16 ? 140 ? 16 140 
# 
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 9GPM GLY A 1  ? UNP Q13451 ?   ?   'expression tag'      13  1  
1 9GPM ALA A 2  ? UNP Q13451 ?   ?   'expression tag'      14  2  
1 9GPM PRO A 3  ? UNP Q13451 ?   ?   'expression tag'      15  3  
1 9GPM THR A 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  4  
1 9GPM ALA A 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 5  
1 9GPM ILE A 95 ? UNP Q13451 CYS 107 'engineered mutation' 107 6  
2 9GPM GLY B 1  ? UNP Q13451 ?   ?   'expression tag'      13  7  
2 9GPM ALA B 2  ? UNP Q13451 ?   ?   'expression tag'      14  8  
2 9GPM PRO B 3  ? UNP Q13451 ?   ?   'expression tag'      15  9  
2 9GPM THR B 7  ? UNP Q13451 ALA 19  'engineered mutation' 19  10 
2 9GPM ALA B 91 ? UNP Q13451 CYS 103 'engineered mutation' 103 11 
2 9GPM ILE B 95 ? UNP Q13451 CYS 107 'engineered mutation' 107 12 
# 
loop_
_pdbx_struct_assembly.id 
_pdbx_struct_assembly.details 
_pdbx_struct_assembly.method_details 
_pdbx_struct_assembly.oligomeric_details 
_pdbx_struct_assembly.oligomeric_count 
1 author_defined_assembly ? monomeric 1 
2 author_defined_assembly ? monomeric 1 
# 
loop_
_pdbx_struct_assembly_gen.assembly_id 
_pdbx_struct_assembly_gen.oper_expression 
_pdbx_struct_assembly_gen.asym_id_list 
1 1 A,C,E 
2 1 B,D,F 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 GLY A 1  ? GLY A 10  ? GLY A 13  GLY A 22  1 ? 10 
HELX_P HELX_P2 AA2 HIS A 59 ? ARG A 61  ? HIS A 71  ARG A 73  5 ? 3  
HELX_P HELX_P3 AA3 ILE A 75 ? ALA A 83  ? ILE A 87  ALA A 95  1 ? 9  
HELX_P HELX_P4 AA4 PRO A 97 ? ALA A 100 ? PRO A 109 ALA A 112 5 ? 4  
HELX_P HELX_P5 AA5 ALA B 2  ? GLY B 10  ? ALA B 14  GLY B 22  1 ? 9  
HELX_P HELX_P6 AA6 HIS B 59 ? ASN B 62  ? HIS B 71  ASN B 74  5 ? 4  
HELX_P HELX_P7 AA7 ILE B 75 ? ALA B 83  ? ILE B 87  ALA B 95  1 ? 9  
HELX_P HELX_P8 AA8 PRO B 97 ? ALA B 100 ? PRO B 109 ALA B 112 5 ? 4  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 LEU 107 A . ? LEU 119 A PRO 108 A ? PRO 120 A 1 2.03 
2 LEU 107 B . ? LEU 119 B PRO 108 B ? PRO 120 B 1 6.09 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 6 ? 
AA2 ? 6 ? 
AA3 ? 6 ? 
AA4 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA3 4 5 ? anti-parallel 
AA3 5 6 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA4 2 3 ? anti-parallel 
AA4 3 4 ? anti-parallel 
AA4 4 5 ? anti-parallel 
AA4 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 GLU A 11  ? ASP A 12  ? GLU A 23  ASP A 24  
AA1 2 VAL A 21  ? ARG A 27  ? VAL A 33  ARG A 39  
AA1 3 ILE A 90  ? ILE A 95  ? ILE A 102 ILE A 107 
AA1 4 LEU A 116 ? LYS A 126 ? LEU A 128 LYS A 138 
AA1 5 LYS A 40  ? LEU A 49  ? LYS A 52  LEU A 61  
AA1 6 PHE A 55  ? SER A 57  ? PHE A 67  SER A 69  
AA2 1 GLU A 11  ? ASP A 12  ? GLU A 23  ASP A 24  
AA2 2 VAL A 21  ? ARG A 27  ? VAL A 33  ARG A 39  
AA2 3 ILE A 90  ? ILE A 95  ? ILE A 102 ILE A 107 
AA2 4 LEU A 116 ? LYS A 126 ? LEU A 128 LYS A 138 
AA2 5 LYS A 40  ? LEU A 49  ? LYS A 52  LEU A 61  
AA2 6 PHE A 65  ? SER A 68  ? PHE A 77  SER A 80  
AA3 1 GLU B 11  ? ASP B 12  ? GLU B 23  ASP B 24  
AA3 2 VAL B 21  ? ARG B 27  ? VAL B 33  ARG B 39  
AA3 3 ILE B 90  ? ILE B 95  ? ILE B 102 ILE B 107 
AA3 4 LEU B 116 ? LYS B 126 ? LEU B 128 LYS B 138 
AA3 5 LYS B 40  ? LEU B 49  ? LYS B 52  LEU B 61  
AA3 6 ASP B 56  ? SER B 57  ? ASP B 68  SER B 69  
AA4 1 GLU B 11  ? ASP B 12  ? GLU B 23  ASP B 24  
AA4 2 VAL B 21  ? ARG B 27  ? VAL B 33  ARG B 39  
AA4 3 ILE B 90  ? ILE B 95  ? ILE B 102 ILE B 107 
AA4 4 LEU B 116 ? LYS B 126 ? LEU B 128 LYS B 138 
AA4 5 LYS B 40  ? LEU B 49  ? LYS B 52  LEU B 61  
AA4 6 PHE B 65  ? SER B 68  ? PHE B 77  SER B 80  
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N GLU A 11  ? N GLU A 23  O LYS A 23  ? O LYS A 35  
AA1 2 3 N LEU A 22  ? N LEU A 34  O LEU A 94  ? O LEU A 106 
AA1 3 4 N ILE A 95  ? N ILE A 107 O LEU A 116 ? O LEU A 128 
AA1 4 5 O GLU A 121 ? O GLU A 133 N HIS A 44  ? N HIS A 56  
AA1 5 6 N GLY A 47  ? N GLY A 59  O ASP A 56  ? O ASP A 68  
AA2 1 2 N GLU A 11  ? N GLU A 23  O LYS A 23  ? O LYS A 35  
AA2 2 3 N LEU A 22  ? N LEU A 34  O LEU A 94  ? O LEU A 106 
AA2 3 4 N ILE A 95  ? N ILE A 107 O LEU A 116 ? O LEU A 128 
AA2 4 5 O GLU A 121 ? O GLU A 133 N HIS A 44  ? N HIS A 56  
AA2 5 6 N VAL A 41  ? N VAL A 53  O PHE A 67  ? O PHE A 79  
AA3 1 2 N GLU B 11  ? N GLU B 23  O LYS B 23  ? O LYS B 35  
AA3 2 3 N LYS B 26  ? N LYS B 38  O ILE B 90  ? O ILE B 102 
AA3 3 4 N ILE B 95  ? N ILE B 107 O LEU B 116 ? O LEU B 128 
AA3 4 5 O GLU B 121 ? O GLU B 133 N HIS B 44  ? N HIS B 56  
AA3 5 6 N GLY B 47  ? N GLY B 59  O ASP B 56  ? O ASP B 68  
AA4 1 2 N GLU B 11  ? N GLU B 23  O LYS B 23  ? O LYS B 35  
AA4 2 3 N LYS B 26  ? N LYS B 38  O ILE B 90  ? O ILE B 102 
AA4 3 4 N ILE B 95  ? N ILE B 107 O LEU B 116 ? O LEU B 128 
AA4 4 5 O GLU B 121 ? O GLU B 133 N HIS B 44  ? N HIS B 56  
AA4 5 6 N VAL B 41  ? N VAL B 53  O PHE B 67  ? O PHE B 79  
# 
_pdbx_entry_details.entry_id                   9GPM 
_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_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 HH B TYR 57  ? ? OD2 B ASP 68  ? ? 1.51 
2 1 HH A TYR 57  ? ? OD2 A ASP 68  ? ? 1.59 
3 1 O  A HOH 353 ? ? O   A HOH 366 ? ? 1.68 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 NE A ARG 39  ? ? CZ A ARG 39  ? ? NH1 A ARG 39  ? ? 123.44 120.30 3.14  0.50 N 
2 1 NE A ARG 39  ? ? CZ A ARG 39  ? ? NH2 A ARG 39  ? ? 116.67 120.30 -3.63 0.50 N 
3 1 CB A LEU 128 ? ? CG A LEU 128 ? ? CD2 A LEU 128 ? ? 122.63 111.00 11.63 1.70 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 ALA A 112 ? ? -129.26 -101.87 
2 1 ALA B 112 ? ? -134.34 -107.35 
3 1 SER B 118 ? ? -150.44 76.19   
# 
_pdbx_validate_peptide_omega.id               1 
_pdbx_validate_peptide_omega.PDB_model_num    1 
_pdbx_validate_peptide_omega.auth_comp_id_1   GLY 
_pdbx_validate_peptide_omega.auth_asym_id_1   A 
_pdbx_validate_peptide_omega.auth_seq_id_1    64 
_pdbx_validate_peptide_omega.PDB_ins_code_1   ? 
_pdbx_validate_peptide_omega.label_alt_id_1   ? 
_pdbx_validate_peptide_omega.auth_comp_id_2   LYS 
_pdbx_validate_peptide_omega.auth_asym_id_2   A 
_pdbx_validate_peptide_omega.auth_seq_id_2    65 
_pdbx_validate_peptide_omega.PDB_ins_code_2   ? 
_pdbx_validate_peptide_omega.label_alt_id_2   ? 
_pdbx_validate_peptide_omega.omega            -145.52 
# 
_pdbx_validate_planes.id              1 
_pdbx_validate_planes.PDB_model_num   1 
_pdbx_validate_planes.auth_comp_id    ARG 
_pdbx_validate_planes.auth_asym_id    A 
_pdbx_validate_planes.auth_seq_id     39 
_pdbx_validate_planes.PDB_ins_code    ? 
_pdbx_validate_planes.label_alt_id    ? 
_pdbx_validate_planes.rmsd            0.083 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     355 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   E 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
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 -9.7475  -15.7955 -29.6363 0.1795 ? 0.1079  ? -0.0395 ? 0.0888 ? -0.0306 ? 0.1000 ? 5.0966 ? 
0.2113  ? 1.1762  ? 2.8164 ? -0.1895 ? 2.9906 ? 0.4596 ? 0.2094  ? -0.3884 ? -0.3744 ? -0.2627 ? 0.3333 ? 0.1638  ? 0.3330  ? 
-0.1969 ? 
2 'X-RAY DIFFRACTION' ? refined -18.7039 0.3839   -4.3603  0.0627 ? -0.0023 ? 0.0157  ? 0.0167 ? -0.0211 ? 0.0665 ? 2.0050 ? 
-0.7637 ? -0.0375 ? 2.3854 ? 0.0917  ? 3.4892 ? 0.0245 ? -0.0586 ? 0.2914  ? -0.0608 ? -0.0360 ? 0.0730 ? -0.2827 ? -0.1496 ? 
0.0115  ? 
# 
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 ? ? A 13 ? ? ? A 201 ? ALL ? 
2 'X-RAY DIFFRACTION' 2 ? ? B 13 ? ? ? B 201 ? ALL ? 
# 
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 
A1INM C4   C Y N 1   
A1INM C14  C N N 2   
A1INM C5   C Y N 3   
A1INM C6   C Y N 4   
A1INM C11  C Y N 5   
A1INM C7   C N N 6   
A1INM C8   C Y N 7   
A1INM C9   C N N 8   
A1INM C10  C N N 9   
A1INM C12  C Y N 10  
A1INM C13  C N N 11  
A1INM N1   N Y N 12  
A1INM N2   N Y N 13  
A1INM C3   C Y N 14  
A1INM N3   N Y N 15  
A1INM C1   C N N 16  
A1INM O1   O N N 17  
A1INM C2   C Y N 18  
A1INM O2   O N N 19  
A1INM O3   O N N 20  
A1INM C15  C N N 21  
A1INM O4   O N N 22  
A1INM C16  C N N 23  
A1INM O5   O N N 24  
A1INM C17  C N S 25  
A1INM C18  C N N 26  
A1INM C19  C N N 27  
A1INM C20  C N N 28  
A1INM C21  C N N 29  
A1INM N4   N N N 30  
A1INM C22  C N N 31  
A1INM O6   O N N 32  
A1INM C23  C N S 33  
A1INM C24  C N N 34  
A1INM C25  C N N 35  
A1INM C26  C N N 36  
A1INM C27  C N N 37  
A1INM C28  C N N 38  
A1INM C29  C N N 39  
A1INM H17  H N N 40  
A1INM H16  H N N 41  
A1INM H5   H N N 42  
A1INM H13  H N N 43  
A1INM H7   H N N 44  
A1INM H8   H N N 45  
A1INM H6   H N N 46  
A1INM H9   H N N 47  
A1INM H10  H N N 48  
A1INM H12  H N N 49  
A1INM H11  H N N 50  
A1INM H15  H N N 51  
A1INM H14  H N N 52  
A1INM H4   H N N 53  
A1INM H2   H N N 54  
A1INM H3   H N N 55  
A1INM H1   H N N 56  
A1INM H19  H N N 57  
A1INM H18  H N N 58  
A1INM H20  H N N 59  
A1INM H22  H N N 60  
A1INM H21  H N N 61  
A1INM H23  H N N 62  
A1INM H24  H N N 63  
A1INM H25  H N N 64  
A1INM H26  H N N 65  
A1INM H27  H N N 66  
A1INM H28  H N N 67  
A1INM H29  H N N 68  
A1INM H30  H N N 69  
A1INM H32  H N N 70  
A1INM H31  H N N 71  
A1INM H33  H N N 72  
A1INM H34  H N N 73  
A1INM H35  H N N 74  
A1INM H36  H N N 75  
A1INM H37  H N N 76  
A1INM H38  H N N 77  
A1INM H40  H N N 78  
A1INM H39  H N N 79  
ALA   N    N N N 80  
ALA   CA   C N S 81  
ALA   C    C N N 82  
ALA   O    O N N 83  
ALA   CB   C N N 84  
ALA   OXT  O N N 85  
ALA   H    H N N 86  
ALA   H2   H N N 87  
ALA   HA   H N N 88  
ALA   HB1  H N N 89  
ALA   HB2  H N N 90  
ALA   HB3  H N N 91  
ALA   HXT  H N N 92  
ARG   N    N N N 93  
ARG   CA   C N S 94  
ARG   C    C N N 95  
ARG   O    O N N 96  
ARG   CB   C N N 97  
ARG   CG   C N N 98  
ARG   CD   C N N 99  
ARG   NE   N N N 100 
ARG   CZ   C N N 101 
ARG   NH1  N N N 102 
ARG   NH2  N N N 103 
ARG   OXT  O N N 104 
ARG   H    H N N 105 
ARG   H2   H N N 106 
ARG   HA   H N N 107 
ARG   HB2  H N N 108 
ARG   HB3  H N N 109 
ARG   HG2  H N N 110 
ARG   HG3  H N N 111 
ARG   HD2  H N N 112 
ARG   HD3  H N N 113 
ARG   HE   H N N 114 
ARG   HH11 H N N 115 
ARG   HH12 H N N 116 
ARG   HH21 H N N 117 
ARG   HH22 H N N 118 
ARG   HXT  H N N 119 
ASN   N    N N N 120 
ASN   CA   C N S 121 
ASN   C    C N N 122 
ASN   O    O N N 123 
ASN   CB   C N N 124 
ASN   CG   C N N 125 
ASN   OD1  O N N 126 
ASN   ND2  N N N 127 
ASN   OXT  O N N 128 
ASN   H    H N N 129 
ASN   H2   H N N 130 
ASN   HA   H N N 131 
ASN   HB2  H N N 132 
ASN   HB3  H N N 133 
ASN   HD21 H N N 134 
ASN   HD22 H N N 135 
ASN   HXT  H N N 136 
ASP   N    N N N 137 
ASP   CA   C N S 138 
ASP   C    C N N 139 
ASP   O    O N N 140 
ASP   CB   C N N 141 
ASP   CG   C N N 142 
ASP   OD1  O N N 143 
ASP   OD2  O N N 144 
ASP   OXT  O N N 145 
ASP   H    H N N 146 
ASP   H2   H N N 147 
ASP   HA   H N N 148 
ASP   HB2  H N N 149 
ASP   HB3  H N N 150 
ASP   HD2  H N N 151 
ASP   HXT  H N N 152 
CYS   N    N N N 153 
CYS   CA   C N R 154 
CYS   C    C N N 155 
CYS   O    O N N 156 
CYS   CB   C N N 157 
CYS   SG   S N N 158 
CYS   OXT  O N N 159 
CYS   H    H N N 160 
CYS   H2   H N N 161 
CYS   HA   H N N 162 
CYS   HB2  H N N 163 
CYS   HB3  H N N 164 
CYS   HG   H N N 165 
CYS   HXT  H N N 166 
GLN   N    N N N 167 
GLN   CA   C N S 168 
GLN   C    C N N 169 
GLN   O    O N N 170 
GLN   CB   C N N 171 
GLN   CG   C N N 172 
GLN   CD   C N N 173 
GLN   OE1  O N N 174 
GLN   NE2  N N N 175 
GLN   OXT  O N N 176 
GLN   H    H N N 177 
GLN   H2   H N N 178 
GLN   HA   H N N 179 
GLN   HB2  H N N 180 
GLN   HB3  H N N 181 
GLN   HG2  H N N 182 
GLN   HG3  H N N 183 
GLN   HE21 H N N 184 
GLN   HE22 H N N 185 
GLN   HXT  H N N 186 
GLU   N    N N N 187 
GLU   CA   C N S 188 
GLU   C    C N N 189 
GLU   O    O N N 190 
GLU   CB   C N N 191 
GLU   CG   C N N 192 
GLU   CD   C N N 193 
GLU   OE1  O N N 194 
GLU   OE2  O N N 195 
GLU   OXT  O N N 196 
GLU   H    H N N 197 
GLU   H2   H N N 198 
GLU   HA   H N N 199 
GLU   HB2  H N N 200 
GLU   HB3  H N N 201 
GLU   HG2  H N N 202 
GLU   HG3  H N N 203 
GLU   HE2  H N N 204 
GLU   HXT  H N N 205 
GLY   N    N N N 206 
GLY   CA   C N N 207 
GLY   C    C N N 208 
GLY   O    O N N 209 
GLY   OXT  O N N 210 
GLY   H    H N N 211 
GLY   H2   H N N 212 
GLY   HA2  H N N 213 
GLY   HA3  H N N 214 
GLY   HXT  H N N 215 
HIS   N    N N N 216 
HIS   CA   C N S 217 
HIS   C    C N N 218 
HIS   O    O N N 219 
HIS   CB   C N N 220 
HIS   CG   C Y N 221 
HIS   ND1  N Y N 222 
HIS   CD2  C Y N 223 
HIS   CE1  C Y N 224 
HIS   NE2  N Y N 225 
HIS   OXT  O N N 226 
HIS   H    H N N 227 
HIS   H2   H N N 228 
HIS   HA   H N N 229 
HIS   HB2  H N N 230 
HIS   HB3  H N N 231 
HIS   HD1  H N N 232 
HIS   HD2  H N N 233 
HIS   HE1  H N N 234 
HIS   HE2  H N N 235 
HIS   HXT  H N N 236 
HOH   O    O N N 237 
HOH   H1   H N N 238 
HOH   H2   H N N 239 
ILE   N    N N N 240 
ILE   CA   C N S 241 
ILE   C    C N N 242 
ILE   O    O N N 243 
ILE   CB   C N S 244 
ILE   CG1  C N N 245 
ILE   CG2  C N N 246 
ILE   CD1  C N N 247 
ILE   OXT  O N N 248 
ILE   H    H N N 249 
ILE   H2   H N N 250 
ILE   HA   H N N 251 
ILE   HB   H N N 252 
ILE   HG12 H N N 253 
ILE   HG13 H N N 254 
ILE   HG21 H N N 255 
ILE   HG22 H N N 256 
ILE   HG23 H N N 257 
ILE   HD11 H N N 258 
ILE   HD12 H N N 259 
ILE   HD13 H N N 260 
ILE   HXT  H N N 261 
LEU   N    N N N 262 
LEU   CA   C N S 263 
LEU   C    C N N 264 
LEU   O    O N N 265 
LEU   CB   C N N 266 
LEU   CG   C N N 267 
LEU   CD1  C N N 268 
LEU   CD2  C N N 269 
LEU   OXT  O N N 270 
LEU   H    H N N 271 
LEU   H2   H N N 272 
LEU   HA   H N N 273 
LEU   HB2  H N N 274 
LEU   HB3  H N N 275 
LEU   HG   H N N 276 
LEU   HD11 H N N 277 
LEU   HD12 H N N 278 
LEU   HD13 H N N 279 
LEU   HD21 H N N 280 
LEU   HD22 H N N 281 
LEU   HD23 H N N 282 
LEU   HXT  H N N 283 
LYS   N    N N N 284 
LYS   CA   C N S 285 
LYS   C    C N N 286 
LYS   O    O N N 287 
LYS   CB   C N N 288 
LYS   CG   C N N 289 
LYS   CD   C N N 290 
LYS   CE   C N N 291 
LYS   NZ   N N N 292 
LYS   OXT  O N N 293 
LYS   H    H N N 294 
LYS   H2   H N N 295 
LYS   HA   H N N 296 
LYS   HB2  H N N 297 
LYS   HB3  H N N 298 
LYS   HG2  H N N 299 
LYS   HG3  H N N 300 
LYS   HD2  H N N 301 
LYS   HD3  H N N 302 
LYS   HE2  H N N 303 
LYS   HE3  H N N 304 
LYS   HZ1  H N N 305 
LYS   HZ2  H N N 306 
LYS   HZ3  H N N 307 
LYS   HXT  H N N 308 
MET   N    N N N 309 
MET   CA   C N S 310 
MET   C    C N N 311 
MET   O    O N N 312 
MET   CB   C N N 313 
MET   CG   C N N 314 
MET   SD   S N N 315 
MET   CE   C N N 316 
MET   OXT  O N N 317 
MET   H    H N N 318 
MET   H2   H N N 319 
MET   HA   H N N 320 
MET   HB2  H N N 321 
MET   HB3  H N N 322 
MET   HG2  H N N 323 
MET   HG3  H N N 324 
MET   HE1  H N N 325 
MET   HE2  H N N 326 
MET   HE3  H N N 327 
MET   HXT  H N N 328 
PHE   N    N N N 329 
PHE   CA   C N S 330 
PHE   C    C N N 331 
PHE   O    O N N 332 
PHE   CB   C N N 333 
PHE   CG   C Y N 334 
PHE   CD1  C Y N 335 
PHE   CD2  C Y N 336 
PHE   CE1  C Y N 337 
PHE   CE2  C Y N 338 
PHE   CZ   C Y N 339 
PHE   OXT  O N N 340 
PHE   H    H N N 341 
PHE   H2   H N N 342 
PHE   HA   H N N 343 
PHE   HB2  H N N 344 
PHE   HB3  H N N 345 
PHE   HD1  H N N 346 
PHE   HD2  H N N 347 
PHE   HE1  H N N 348 
PHE   HE2  H N N 349 
PHE   HZ   H N N 350 
PHE   HXT  H N N 351 
PRO   N    N N N 352 
PRO   CA   C N S 353 
PRO   C    C N N 354 
PRO   O    O N N 355 
PRO   CB   C N N 356 
PRO   CG   C N N 357 
PRO   CD   C N N 358 
PRO   OXT  O N N 359 
PRO   H    H N N 360 
PRO   HA   H N N 361 
PRO   HB2  H N N 362 
PRO   HB3  H N N 363 
PRO   HG2  H N N 364 
PRO   HG3  H N N 365 
PRO   HD2  H N N 366 
PRO   HD3  H N N 367 
PRO   HXT  H N N 368 
SER   N    N N N 369 
SER   CA   C N S 370 
SER   C    C N N 371 
SER   O    O N N 372 
SER   CB   C N N 373 
SER   OG   O N N 374 
SER   OXT  O N N 375 
SER   H    H N N 376 
SER   H2   H N N 377 
SER   HA   H N N 378 
SER   HB2  H N N 379 
SER   HB3  H N N 380 
SER   HG   H N N 381 
SER   HXT  H N N 382 
THR   N    N N N 383 
THR   CA   C N S 384 
THR   C    C N N 385 
THR   O    O N N 386 
THR   CB   C N R 387 
THR   OG1  O N N 388 
THR   CG2  C N N 389 
THR   OXT  O N N 390 
THR   H    H N N 391 
THR   H2   H N N 392 
THR   HA   H N N 393 
THR   HB   H N N 394 
THR   HG1  H N N 395 
THR   HG21 H N N 396 
THR   HG22 H N N 397 
THR   HG23 H N N 398 
THR   HXT  H N N 399 
TRP   N    N N N 400 
TRP   CA   C N S 401 
TRP   C    C N N 402 
TRP   O    O N N 403 
TRP   CB   C N N 404 
TRP   CG   C Y N 405 
TRP   CD1  C Y N 406 
TRP   CD2  C Y N 407 
TRP   NE1  N Y N 408 
TRP   CE2  C Y N 409 
TRP   CE3  C Y N 410 
TRP   CZ2  C Y N 411 
TRP   CZ3  C Y N 412 
TRP   CH2  C Y N 413 
TRP   OXT  O N N 414 
TRP   H    H N N 415 
TRP   H2   H N N 416 
TRP   HA   H N N 417 
TRP   HB2  H N N 418 
TRP   HB3  H N N 419 
TRP   HD1  H N N 420 
TRP   HE1  H N N 421 
TRP   HE3  H N N 422 
TRP   HZ2  H N N 423 
TRP   HZ3  H N N 424 
TRP   HH2  H N N 425 
TRP   HXT  H N N 426 
TYR   N    N N N 427 
TYR   CA   C N S 428 
TYR   C    C N N 429 
TYR   O    O N N 430 
TYR   CB   C N N 431 
TYR   CG   C Y N 432 
TYR   CD1  C Y N 433 
TYR   CD2  C Y N 434 
TYR   CE1  C Y N 435 
TYR   CE2  C Y N 436 
TYR   CZ   C Y N 437 
TYR   OH   O N N 438 
TYR   OXT  O N N 439 
TYR   H    H N N 440 
TYR   H2   H N N 441 
TYR   HA   H N N 442 
TYR   HB2  H N N 443 
TYR   HB3  H N N 444 
TYR   HD1  H N N 445 
TYR   HD2  H N N 446 
TYR   HE1  H N N 447 
TYR   HE2  H N N 448 
TYR   HH   H N N 449 
TYR   HXT  H N N 450 
VAL   N    N N N 451 
VAL   CA   C N S 452 
VAL   C    C N N 453 
VAL   O    O N N 454 
VAL   CB   C N N 455 
VAL   CG1  C N N 456 
VAL   CG2  C N N 457 
VAL   OXT  O N N 458 
VAL   H    H N N 459 
VAL   H2   H N N 460 
VAL   HA   H N N 461 
VAL   HB   H N N 462 
VAL   HG11 H N N 463 
VAL   HG12 H N N 464 
VAL   HG13 H N N 465 
VAL   HG21 H N N 466 
VAL   HG22 H N N 467 
VAL   HG23 H N N 468 
VAL   HXT  H N N 469 
# 
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 
A1INM C18 C19  sing N N 1   
A1INM C18 C17  sing N N 2   
A1INM C26 C25  sing N N 3   
A1INM C26 C27  sing N N 4   
A1INM C25 C24  sing N N 5   
A1INM C19 C20  sing N N 6   
A1INM C27 C28  sing N N 7   
A1INM C20 C21  sing N N 8   
A1INM C17 N4   sing N N 9   
A1INM C17 C16  sing N N 10  
A1INM N4  C22  sing N N 11  
A1INM N4  C21  sing N N 12  
A1INM O6  C22  doub N N 13  
A1INM C22 C23  sing N N 14  
A1INM C24 C23  sing N N 15  
A1INM C24 C29  sing N N 16  
A1INM O5  C16  doub N N 17  
A1INM C16 O4   sing N N 18  
A1INM C23 C4   sing N N 19  
A1INM C28 C29  sing N N 20  
A1INM O4  C15  sing N N 21  
A1INM C4  C5   doub Y N 22  
A1INM C4  C3   sing Y N 23  
A1INM C5  C6   sing Y N 24  
A1INM C15 C14  sing N N 25  
A1INM C3  C2   doub Y N 26  
A1INM C13 C14  sing N N 27  
A1INM C13 C12  sing N N 28  
A1INM N2  C12  sing Y N 29  
A1INM N2  N3   doub Y N 30  
A1INM C7  O2   sing N N 31  
A1INM C12 C11  doub Y N 32  
A1INM C6  O2   sing N N 33  
A1INM C6  C8   doub Y N 34  
A1INM C2  C8   sing Y N 35  
A1INM C2  O1   sing N N 36  
A1INM C1  O1   sing N N 37  
A1INM N3  N1   sing Y N 38  
A1INM C8  O3   sing N N 39  
A1INM C11 N1   sing Y N 40  
A1INM N1  C10  sing N N 41  
A1INM O3  C9   sing N N 42  
A1INM C10 C9   sing N N 43  
A1INM C14 H17  sing N N 44  
A1INM C14 H16  sing N N 45  
A1INM C5  H5   sing N N 46  
A1INM C11 H13  sing N N 47  
A1INM C7  H7   sing N N 48  
A1INM C7  H8   sing N N 49  
A1INM C7  H6   sing N N 50  
A1INM C9  H9   sing N N 51  
A1INM C9  H10  sing N N 52  
A1INM C10 H12  sing N N 53  
A1INM C10 H11  sing N N 54  
A1INM C13 H15  sing N N 55  
A1INM C13 H14  sing N N 56  
A1INM C3  H4   sing N N 57  
A1INM C1  H2   sing N N 58  
A1INM C1  H3   sing N N 59  
A1INM C1  H1   sing N N 60  
A1INM C15 H19  sing N N 61  
A1INM C15 H18  sing N N 62  
A1INM C17 H20  sing N N 63  
A1INM C18 H22  sing N N 64  
A1INM C18 H21  sing N N 65  
A1INM C19 H23  sing N N 66  
A1INM C19 H24  sing N N 67  
A1INM C20 H25  sing N N 68  
A1INM C20 H26  sing N N 69  
A1INM C21 H27  sing N N 70  
A1INM C21 H28  sing N N 71  
A1INM C23 H29  sing N N 72  
A1INM C24 H30  sing N N 73  
A1INM C25 H32  sing N N 74  
A1INM C25 H31  sing N N 75  
A1INM C26 H33  sing N N 76  
A1INM C26 H34  sing N N 77  
A1INM C27 H35  sing N N 78  
A1INM C27 H36  sing N N 79  
A1INM C28 H37  sing N N 80  
A1INM C28 H38  sing N N 81  
A1INM C29 H40  sing N N 82  
A1INM C29 H39  sing N N 83  
ALA   N   CA   sing N N 84  
ALA   N   H    sing N N 85  
ALA   N   H2   sing N N 86  
ALA   CA  C    sing N N 87  
ALA   CA  CB   sing N N 88  
ALA   CA  HA   sing N N 89  
ALA   C   O    doub N N 90  
ALA   C   OXT  sing N N 91  
ALA   CB  HB1  sing N N 92  
ALA   CB  HB2  sing N N 93  
ALA   CB  HB3  sing N N 94  
ALA   OXT HXT  sing N N 95  
ARG   N   CA   sing N N 96  
ARG   N   H    sing N N 97  
ARG   N   H2   sing N N 98  
ARG   CA  C    sing N N 99  
ARG   CA  CB   sing N N 100 
ARG   CA  HA   sing N N 101 
ARG   C   O    doub N N 102 
ARG   C   OXT  sing N N 103 
ARG   CB  CG   sing N N 104 
ARG   CB  HB2  sing N N 105 
ARG   CB  HB3  sing N N 106 
ARG   CG  CD   sing N N 107 
ARG   CG  HG2  sing N N 108 
ARG   CG  HG3  sing N N 109 
ARG   CD  NE   sing N N 110 
ARG   CD  HD2  sing N N 111 
ARG   CD  HD3  sing N N 112 
ARG   NE  CZ   sing N N 113 
ARG   NE  HE   sing N N 114 
ARG   CZ  NH1  sing N N 115 
ARG   CZ  NH2  doub N N 116 
ARG   NH1 HH11 sing N N 117 
ARG   NH1 HH12 sing N N 118 
ARG   NH2 HH21 sing N N 119 
ARG   NH2 HH22 sing N N 120 
ARG   OXT HXT  sing N N 121 
ASN   N   CA   sing N N 122 
ASN   N   H    sing N N 123 
ASN   N   H2   sing N N 124 
ASN   CA  C    sing N N 125 
ASN   CA  CB   sing N N 126 
ASN   CA  HA   sing N N 127 
ASN   C   O    doub N N 128 
ASN   C   OXT  sing N N 129 
ASN   CB  CG   sing N N 130 
ASN   CB  HB2  sing N N 131 
ASN   CB  HB3  sing N N 132 
ASN   CG  OD1  doub N N 133 
ASN   CG  ND2  sing N N 134 
ASN   ND2 HD21 sing N N 135 
ASN   ND2 HD22 sing N N 136 
ASN   OXT HXT  sing N N 137 
ASP   N   CA   sing N N 138 
ASP   N   H    sing N N 139 
ASP   N   H2   sing N N 140 
ASP   CA  C    sing N N 141 
ASP   CA  CB   sing N N 142 
ASP   CA  HA   sing N N 143 
ASP   C   O    doub N N 144 
ASP   C   OXT  sing N N 145 
ASP   CB  CG   sing N N 146 
ASP   CB  HB2  sing N N 147 
ASP   CB  HB3  sing N N 148 
ASP   CG  OD1  doub N N 149 
ASP   CG  OD2  sing N N 150 
ASP   OD2 HD2  sing N N 151 
ASP   OXT HXT  sing N N 152 
CYS   N   CA   sing N N 153 
CYS   N   H    sing N N 154 
CYS   N   H2   sing N N 155 
CYS   CA  C    sing N N 156 
CYS   CA  CB   sing N N 157 
CYS   CA  HA   sing N N 158 
CYS   C   O    doub N N 159 
CYS   C   OXT  sing N N 160 
CYS   CB  SG   sing N N 161 
CYS   CB  HB2  sing N N 162 
CYS   CB  HB3  sing N N 163 
CYS   SG  HG   sing N N 164 
CYS   OXT HXT  sing N N 165 
GLN   N   CA   sing N N 166 
GLN   N   H    sing N N 167 
GLN   N   H2   sing N N 168 
GLN   CA  C    sing N N 169 
GLN   CA  CB   sing N N 170 
GLN   CA  HA   sing N N 171 
GLN   C   O    doub N N 172 
GLN   C   OXT  sing N N 173 
GLN   CB  CG   sing N N 174 
GLN   CB  HB2  sing N N 175 
GLN   CB  HB3  sing N N 176 
GLN   CG  CD   sing N N 177 
GLN   CG  HG2  sing N N 178 
GLN   CG  HG3  sing N N 179 
GLN   CD  OE1  doub N N 180 
GLN   CD  NE2  sing N N 181 
GLN   NE2 HE21 sing N N 182 
GLN   NE2 HE22 sing N N 183 
GLN   OXT HXT  sing N N 184 
GLU   N   CA   sing N N 185 
GLU   N   H    sing N N 186 
GLU   N   H2   sing N N 187 
GLU   CA  C    sing N N 188 
GLU   CA  CB   sing N N 189 
GLU   CA  HA   sing N N 190 
GLU   C   O    doub N N 191 
GLU   C   OXT  sing N N 192 
GLU   CB  CG   sing N N 193 
GLU   CB  HB2  sing N N 194 
GLU   CB  HB3  sing N N 195 
GLU   CG  CD   sing N N 196 
GLU   CG  HG2  sing N N 197 
GLU   CG  HG3  sing N N 198 
GLU   CD  OE1  doub N N 199 
GLU   CD  OE2  sing N N 200 
GLU   OE2 HE2  sing N N 201 
GLU   OXT HXT  sing N N 202 
GLY   N   CA   sing N N 203 
GLY   N   H    sing N N 204 
GLY   N   H2   sing N N 205 
GLY   CA  C    sing N N 206 
GLY   CA  HA2  sing N N 207 
GLY   CA  HA3  sing N N 208 
GLY   C   O    doub N N 209 
GLY   C   OXT  sing N N 210 
GLY   OXT HXT  sing N N 211 
HIS   N   CA   sing N N 212 
HIS   N   H    sing N N 213 
HIS   N   H2   sing N N 214 
HIS   CA  C    sing N N 215 
HIS   CA  CB   sing N N 216 
HIS   CA  HA   sing N N 217 
HIS   C   O    doub N N 218 
HIS   C   OXT  sing N N 219 
HIS   CB  CG   sing N N 220 
HIS   CB  HB2  sing N N 221 
HIS   CB  HB3  sing N N 222 
HIS   CG  ND1  sing Y N 223 
HIS   CG  CD2  doub Y N 224 
HIS   ND1 CE1  doub Y N 225 
HIS   ND1 HD1  sing N N 226 
HIS   CD2 NE2  sing Y N 227 
HIS   CD2 HD2  sing N N 228 
HIS   CE1 NE2  sing Y N 229 
HIS   CE1 HE1  sing N N 230 
HIS   NE2 HE2  sing N N 231 
HIS   OXT HXT  sing N N 232 
HOH   O   H1   sing N N 233 
HOH   O   H2   sing N N 234 
ILE   N   CA   sing N N 235 
ILE   N   H    sing N N 236 
ILE   N   H2   sing N N 237 
ILE   CA  C    sing N N 238 
ILE   CA  CB   sing N N 239 
ILE   CA  HA   sing N N 240 
ILE   C   O    doub N N 241 
ILE   C   OXT  sing N N 242 
ILE   CB  CG1  sing N N 243 
ILE   CB  CG2  sing N N 244 
ILE   CB  HB   sing N N 245 
ILE   CG1 CD1  sing N N 246 
ILE   CG1 HG12 sing N N 247 
ILE   CG1 HG13 sing N N 248 
ILE   CG2 HG21 sing N N 249 
ILE   CG2 HG22 sing N N 250 
ILE   CG2 HG23 sing N N 251 
ILE   CD1 HD11 sing N N 252 
ILE   CD1 HD12 sing N N 253 
ILE   CD1 HD13 sing N N 254 
ILE   OXT HXT  sing N N 255 
LEU   N   CA   sing N N 256 
LEU   N   H    sing N N 257 
LEU   N   H2   sing N N 258 
LEU   CA  C    sing N N 259 
LEU   CA  CB   sing N N 260 
LEU   CA  HA   sing N N 261 
LEU   C   O    doub N N 262 
LEU   C   OXT  sing N N 263 
LEU   CB  CG   sing N N 264 
LEU   CB  HB2  sing N N 265 
LEU   CB  HB3  sing N N 266 
LEU   CG  CD1  sing N N 267 
LEU   CG  CD2  sing N N 268 
LEU   CG  HG   sing N N 269 
LEU   CD1 HD11 sing N N 270 
LEU   CD1 HD12 sing N N 271 
LEU   CD1 HD13 sing N N 272 
LEU   CD2 HD21 sing N N 273 
LEU   CD2 HD22 sing N N 274 
LEU   CD2 HD23 sing N N 275 
LEU   OXT HXT  sing N N 276 
LYS   N   CA   sing N N 277 
LYS   N   H    sing N N 278 
LYS   N   H2   sing N N 279 
LYS   CA  C    sing N N 280 
LYS   CA  CB   sing N N 281 
LYS   CA  HA   sing N N 282 
LYS   C   O    doub N N 283 
LYS   C   OXT  sing N N 284 
LYS   CB  CG   sing N N 285 
LYS   CB  HB2  sing N N 286 
LYS   CB  HB3  sing N N 287 
LYS   CG  CD   sing N N 288 
LYS   CG  HG2  sing N N 289 
LYS   CG  HG3  sing N N 290 
LYS   CD  CE   sing N N 291 
LYS   CD  HD2  sing N N 292 
LYS   CD  HD3  sing N N 293 
LYS   CE  NZ   sing N N 294 
LYS   CE  HE2  sing N N 295 
LYS   CE  HE3  sing N N 296 
LYS   NZ  HZ1  sing N N 297 
LYS   NZ  HZ2  sing N N 298 
LYS   NZ  HZ3  sing N N 299 
LYS   OXT HXT  sing N N 300 
MET   N   CA   sing N N 301 
MET   N   H    sing N N 302 
MET   N   H2   sing N N 303 
MET   CA  C    sing N N 304 
MET   CA  CB   sing N N 305 
MET   CA  HA   sing N N 306 
MET   C   O    doub N N 307 
MET   C   OXT  sing N N 308 
MET   CB  CG   sing N N 309 
MET   CB  HB2  sing N N 310 
MET   CB  HB3  sing N N 311 
MET   CG  SD   sing N N 312 
MET   CG  HG2  sing N N 313 
MET   CG  HG3  sing N N 314 
MET   SD  CE   sing N N 315 
MET   CE  HE1  sing N N 316 
MET   CE  HE2  sing N N 317 
MET   CE  HE3  sing N N 318 
MET   OXT HXT  sing N N 319 
PHE   N   CA   sing N N 320 
PHE   N   H    sing N N 321 
PHE   N   H2   sing N N 322 
PHE   CA  C    sing N N 323 
PHE   CA  CB   sing N N 324 
PHE   CA  HA   sing N N 325 
PHE   C   O    doub N N 326 
PHE   C   OXT  sing N N 327 
PHE   CB  CG   sing N N 328 
PHE   CB  HB2  sing N N 329 
PHE   CB  HB3  sing N N 330 
PHE   CG  CD1  doub Y N 331 
PHE   CG  CD2  sing Y N 332 
PHE   CD1 CE1  sing Y N 333 
PHE   CD1 HD1  sing N N 334 
PHE   CD2 CE2  doub Y N 335 
PHE   CD2 HD2  sing N N 336 
PHE   CE1 CZ   doub Y N 337 
PHE   CE1 HE1  sing N N 338 
PHE   CE2 CZ   sing Y N 339 
PHE   CE2 HE2  sing N N 340 
PHE   CZ  HZ   sing N N 341 
PHE   OXT HXT  sing N N 342 
PRO   N   CA   sing N N 343 
PRO   N   CD   sing N N 344 
PRO   N   H    sing N N 345 
PRO   CA  C    sing N N 346 
PRO   CA  CB   sing N N 347 
PRO   CA  HA   sing N N 348 
PRO   C   O    doub N N 349 
PRO   C   OXT  sing N N 350 
PRO   CB  CG   sing N N 351 
PRO   CB  HB2  sing N N 352 
PRO   CB  HB3  sing N N 353 
PRO   CG  CD   sing N N 354 
PRO   CG  HG2  sing N N 355 
PRO   CG  HG3  sing N N 356 
PRO   CD  HD2  sing N N 357 
PRO   CD  HD3  sing N N 358 
PRO   OXT HXT  sing N N 359 
SER   N   CA   sing N N 360 
SER   N   H    sing N N 361 
SER   N   H2   sing N N 362 
SER   CA  C    sing N N 363 
SER   CA  CB   sing N N 364 
SER   CA  HA   sing N N 365 
SER   C   O    doub N N 366 
SER   C   OXT  sing N N 367 
SER   CB  OG   sing N N 368 
SER   CB  HB2  sing N N 369 
SER   CB  HB3  sing N N 370 
SER   OG  HG   sing N N 371 
SER   OXT HXT  sing N N 372 
THR   N   CA   sing N N 373 
THR   N   H    sing N N 374 
THR   N   H2   sing N N 375 
THR   CA  C    sing N N 376 
THR   CA  CB   sing N N 377 
THR   CA  HA   sing N N 378 
THR   C   O    doub N N 379 
THR   C   OXT  sing N N 380 
THR   CB  OG1  sing N N 381 
THR   CB  CG2  sing N N 382 
THR   CB  HB   sing N N 383 
THR   OG1 HG1  sing N N 384 
THR   CG2 HG21 sing N N 385 
THR   CG2 HG22 sing N N 386 
THR   CG2 HG23 sing N N 387 
THR   OXT HXT  sing N N 388 
TRP   N   CA   sing N N 389 
TRP   N   H    sing N N 390 
TRP   N   H2   sing N N 391 
TRP   CA  C    sing N N 392 
TRP   CA  CB   sing N N 393 
TRP   CA  HA   sing N N 394 
TRP   C   O    doub N N 395 
TRP   C   OXT  sing N N 396 
TRP   CB  CG   sing N N 397 
TRP   CB  HB2  sing N N 398 
TRP   CB  HB3  sing N N 399 
TRP   CG  CD1  doub Y N 400 
TRP   CG  CD2  sing Y N 401 
TRP   CD1 NE1  sing Y N 402 
TRP   CD1 HD1  sing N N 403 
TRP   CD2 CE2  doub Y N 404 
TRP   CD2 CE3  sing Y N 405 
TRP   NE1 CE2  sing Y N 406 
TRP   NE1 HE1  sing N N 407 
TRP   CE2 CZ2  sing Y N 408 
TRP   CE3 CZ3  doub Y N 409 
TRP   CE3 HE3  sing N N 410 
TRP   CZ2 CH2  doub Y N 411 
TRP   CZ2 HZ2  sing N N 412 
TRP   CZ3 CH2  sing Y N 413 
TRP   CZ3 HZ3  sing N N 414 
TRP   CH2 HH2  sing N N 415 
TRP   OXT HXT  sing N N 416 
TYR   N   CA   sing N N 417 
TYR   N   H    sing N N 418 
TYR   N   H2   sing N N 419 
TYR   CA  C    sing N N 420 
TYR   CA  CB   sing N N 421 
TYR   CA  HA   sing N N 422 
TYR   C   O    doub N N 423 
TYR   C   OXT  sing N N 424 
TYR   CB  CG   sing N N 425 
TYR   CB  HB2  sing N N 426 
TYR   CB  HB3  sing N N 427 
TYR   CG  CD1  doub Y N 428 
TYR   CG  CD2  sing Y N 429 
TYR   CD1 CE1  sing Y N 430 
TYR   CD1 HD1  sing N N 431 
TYR   CD2 CE2  doub Y N 432 
TYR   CD2 HD2  sing N N 433 
TYR   CE1 CZ   doub Y N 434 
TYR   CE1 HE1  sing N N 435 
TYR   CE2 CZ   sing Y N 436 
TYR   CE2 HE2  sing N N 437 
TYR   CZ  OH   sing N N 438 
TYR   OH  HH   sing N N 439 
TYR   OXT HXT  sing N N 440 
VAL   N   CA   sing N N 441 
VAL   N   H    sing N N 442 
VAL   N   H2   sing N N 443 
VAL   CA  C    sing N N 444 
VAL   CA  CB   sing N N 445 
VAL   CA  HA   sing N N 446 
VAL   C   O    doub N N 447 
VAL   C   OXT  sing N N 448 
VAL   CB  CG1  sing N N 449 
VAL   CB  CG2  sing N N 450 
VAL   CB  HB   sing N N 451 
VAL   CG1 HG11 sing N N 452 
VAL   CG1 HG12 sing N N 453 
VAL   CG1 HG13 sing N N 454 
VAL   CG2 HG21 sing N N 455 
VAL   CG2 HG22 sing N N 456 
VAL   CG2 HG23 sing N N 457 
VAL   OXT HXT  sing N N 458 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'German Federal Ministry for Education and Research' Germany 03VP08671 1 
'German Research Foundation (DFG)'                   Germany 525512762 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   4TW7 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9GPM 
_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]   0.020376 
_atom_sites.fract_transf_matrix[1][2]   0.011764 
_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]   0.023528 
_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]   0.005150 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C 6  6  2.3103  20.8439 1.0201 10.2075 1.5888 0.5687  0.8651 51.6512 0.2156   
H 1  1  0.4930  10.5109 0.3229 26.1257 0.1402 3.1424  0.0408 57.7997 0.0030   
N 7  7  12.2220 0.0057  3.1346 9.8933  2.0141 28.9975 1.1672 0.5826  -11.5379 
O 8  8  3.0487  13.2771 2.2870 5.7011  1.5464 0.3239  0.8671 32.9089 0.2508   
S 16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863 56.1720 1.0316   
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
_atom_site.calc_flag 
_atom_site.pdbx_tls_group_id 
ATOM   1    N N    . GLY   A 1 1   ? 5.126   -20.936 -38.487 1   55.711 ? 13  GLY   A N    1 ? 1 
ATOM   2    C CA   . GLY   A 1 1   ? 4.044   -21.65  -37.794 1   53.409 ? 13  GLY   A CA   1 ? 1 
ATOM   3    C C    . GLY   A 1 1   ? 2.72    -20.913 -37.914 1   51.696 ? 13  GLY   A C    1 ? 1 
ATOM   4    O O    . GLY   A 1 1   ? 2.599   -19.914 -38.623 1   50.362 ? 13  GLY   A O    1 ? 1 
ATOM   5    H H1   . GLY   A 1 1   ? 5.901   -21.398 -38.409 1   57.424 ? 13  GLY   A H1   1 c 1 
ATOM   6    H H2   . GLY   A 1 1   ? 5.236   -20.114 -38.125 1   54.177 ? 13  GLY   A H2   1 c 1 
ATOM   7    H H3   . GLY   A 1 1   ? 4.926   -20.846 -39.365 1   56.943 ? 13  GLY   A H3   1 c 1 
ATOM   8    H HA2  . GLY   A 1 1   ? 3.953   -22.551 -38.181 1   55.414 ? 13  GLY   A HA2  1 c 1 
ATOM   9    H HA3  . GLY   A 1 1   ? 4.28    -21.75  -36.842 1   52.434 ? 13  GLY   A HA3  1 c 1 
ATOM   10   N N    . ALA   A 1 2   ? 1.729   -21.422 -37.181 1   51.529 ? 14  ALA   A N    1 ? 1 
ATOM   11   C CA   . ALA   A 1 2   ? 0.381   -20.894 -37.25  1   48.759 ? 14  ALA   A CA   1 ? 1 
ATOM   12   C C    . ALA   A 1 2   ? 0.381   -19.403 -36.898 1   45.067 ? 14  ALA   A C    1 ? 1 
ATOM   13   O O    . ALA   A 1 2   ? -0.242  -18.616 -37.606 1   45.568 ? 14  ALA   A O    1 ? 1 
ATOM   14   C CB   . ALA   A 1 2   ? -0.525  -21.715 -36.354 1   49.282 ? 14  ALA   A CB   1 ? 1 
ATOM   15   H H    . ALA   A 1 2   ? 1.901   -22.119 -36.615 1   51.678 ? 14  ALA   A H    1 c 1 
ATOM   16   H HA   . ALA   A 1 2   ? 0.066   -20.985 -38.192 1   50.361 ? 14  ALA   A HA   1 c 1 
ATOM   17   H HB1  . ALA   A 1 2   ? -0.578  -22.626 -36.688 1   50.626 ? 14  ALA   A HB1  1 c 1 
ATOM   18   H HB2  . ALA   A 1 2   ? -0.171  -21.726 -35.449 1   47.83  ? 14  ALA   A HB2  1 c 1 
ATOM   19   H HB3  . ALA   A 1 2   ? -1.415  -21.324 -36.344 1   47.457 ? 14  ALA   A HB3  1 c 1 
ATOM   20   N N    . PRO   A 1 3   ? 1.081   -18.921 -35.846 1   43.031 ? 15  PRO   A N    1 ? 1 
ATOM   21   C CA   . PRO   A 1 3   ? 1.076   -17.497 -35.568 1   41.325 ? 15  PRO   A CA   1 ? 1 
ATOM   22   C C    . PRO   A 1 3   ? 1.579   -16.659 -36.738 1   43.498 ? 15  PRO   A C    1 ? 1 
ATOM   23   O O    . PRO   A 1 3   ? 0.981   -15.638 -37.081 1   44.158 ? 15  PRO   A O    1 ? 1 
ATOM   24   C CB   . PRO   A 1 3   ? 1.927   -17.32  -34.301 1   40.121 ? 15  PRO   A CB   1 ? 1 
ATOM   25   C CG   . PRO   A 1 3   ? 1.916   -18.709 -33.67  1   40.498 ? 15  PRO   A CG   1 ? 1 
ATOM   26   C CD   . PRO   A 1 3   ? 1.828   -19.683 -34.843 1   43.176 ? 15  PRO   A CD   1 ? 1 
ATOM   27   H HA   . PRO   A 1 3   ? 0.158   -17.224 -35.36  1   39.867 ? 15  PRO   A HA   1 c 1 
ATOM   28   H HB2  . PRO   A 1 3   ? 2.837   -17.044 -34.525 1   41.377 ? 15  PRO   A HB2  1 c 1 
ATOM   29   H HB3  . PRO   A 1 3   ? 1.53    -16.659 -33.701 1   38.45  ? 15  PRO   A HB3  1 c 1 
ATOM   30   H HG2  . PRO   A 1 3   ? 2.734   -18.863 -33.157 1   41.059 ? 15  PRO   A HG2  1 c 1 
ATOM   31   H HG3  . PRO   A 1 3   ? 1.147   -18.815 -33.076 1   39.024 ? 15  PRO   A HG3  1 c 1 
ATOM   32   H HD2  . PRO   A 1 3   ? 2.713   -19.921 -35.176 1   45.037 ? 15  PRO   A HD2  1 c 1 
ATOM   33   H HD3  . PRO   A 1 3   ? 1.349   -20.494 -34.593 1   43.284 ? 15  PRO   A HD3  1 c 1 
ATOM   34   N N    . ALA   A 1 4   ? 2.72    -17.052 -37.309 1   46.037 ? 16  ALA   A N    1 ? 1 
ATOM   35   C CA   . ALA   A 1 4   ? 3.316   -16.282 -38.395 1   50.327 ? 16  ALA   A CA   1 ? 1 
ATOM   36   C C    . ALA   A 1 4   ? 2.378   -16.244 -39.601 1   51.926 ? 16  ALA   A C    1 ? 1 
ATOM   37   O O    . ALA   A 1 4   ? 2.314   -15.254 -40.322 1   52.966 ? 16  ALA   A O    1 ? 1 
ATOM   38   C CB   . ALA   A 1 4   ? 4.669   -16.873 -38.738 1   53.336 ? 16  ALA   A CB   1 ? 1 
ATOM   39   H H    . ALA   A 1 4   ? 3.141   -17.808 -37.016 1   47.021 ? 16  ALA   A H    1 c 1 
ATOM   40   H HA   . ALA   A 1 4   ? 3.444   -15.346 -38.075 1   49.082 ? 16  ALA   A HA   1 c 1 
ATOM   41   H HB1  . ALA   A 1 4   ? 5.245   -16.846 -37.955 1   52.697 ? 16  ALA   A HB1  1 c 1 
ATOM   42   H HB2  . ALA   A 1 4   ? 4.56    -17.795 -39.024 1   54.533 ? 16  ALA   A HB2  1 c 1 
ATOM   43   H HB3  . ALA   A 1 4   ? 5.077   -16.36  -39.455 1   55.125 ? 16  ALA   A HB3  1 c 1 
ATOM   44   N N    . THR   A 1 5   ? 1.633   -17.33  -39.838 1   53.814 ? 17  THR   A N    1 ? 1 
ATOM   45   C CA   . THR   A 1 5   ? 0.707   -17.355 -40.97  1   55.9   ? 17  THR   A CA   1 ? 1 
ATOM   46   C C    . THR   A 1 5   ? -0.384  -16.321 -40.719 1   52.934 ? 17  THR   A C    1 ? 1 
ATOM   47   O O    . THR   A 1 5   ? -0.86   -15.673 -41.643 1   53.029 ? 17  THR   A O    1 ? 1 
ATOM   48   C CB   . THR   A 1 5   ? 0.129   -18.765 -41.176 1   63.051 ? 17  THR   A CB   1 ? 1 
ATOM   49   O OG1  . THR   A 1 5   ? 1.17    -19.673 -41.483 1   65.154 ? 17  THR   A OG1  1 ? 1 
ATOM   50   C CG2  . THR   A 1 5   ? -0.938  -18.838 -42.256 1   63.605 ? 17  THR   A CG2  1 ? 1 
ATOM   51   H H    . THR   A 1 5   ? 1.702   -18.065 -39.3   1   53.973 ? 17  THR   A H    1 c 1 
ATOM   52   H HA   . THR   A 1 5   ? 1.201   -17.101 -41.78  1   58.942 ? 17  THR   A HA   1 c 1 
ATOM   53   H HB   . THR   A 1 5   ? -0.288  -19.048 -40.325 1   59.889 ? 17  THR   A HB   1 c 1 
ATOM   54   H HG1  . THR   A 1 5   ? 1.537   -19.365 -42.277 0   20     ? 17  THR   A HG1  1 c 1 
ATOM   55   H HG21 . THR   A 1 5   ? -1.164  -19.768 -42.427 1   64.817 ? 17  THR   A HG21 1 c 1 
ATOM   56   H HG22 . THR   A 1 5   ? -0.604  -18.432 -43.073 1   65.965 ? 17  THR   A HG22 1 c 1 
ATOM   57   H HG23 . THR   A 1 5   ? -1.734  -18.364 -41.96  1   61.552 ? 17  THR   A HG23 1 c 1 
ATOM   58   N N    . VAL   A 1 6   ? -0.802  -16.163 -39.455 1   46.629 ? 18  VAL   A N    1 ? 1 
ATOM   59   C CA   . VAL   A 1 6   ? -1.852  -15.185 -39.152 1   43.929 ? 18  VAL   A CA   1 ? 1 
ATOM   60   C C    . VAL   A 1 6   ? -1.358  -13.767 -39.411 1   43.28  ? 18  VAL   A C    1 ? 1 
ATOM   61   O O    . VAL   A 1 6   ? -2.08   -12.928 -39.947 1   42.745 ? 18  VAL   A O    1 ? 1 
ATOM   62   C CB   . VAL   A 1 6   ? -2.421  -15.297 -37.733 1   39.219 ? 18  VAL   A CB   1 ? 1 
ATOM   63   C CG1  . VAL   A 1 6   ? -3.439  -14.168 -37.463 1   37.688 ? 18  VAL   A CG1  1 ? 1 
ATOM   64   C CG2  . VAL   A 1 6   ? -3.043  -16.668 -37.57  1   39.206 ? 18  VAL   A CG2  1 ? 1 
ATOM   65   H H    . VAL   A 1 6   ? -0.443  -16.662 -38.779 1   46.515 ? 18  VAL   A H    1 c 1 
ATOM   66   H HA   . VAL   A 1 6   ? -2.587  -15.351 -39.767 1   44.374 ? 18  VAL   A HA   1 c 1 
ATOM   67   H HB   . VAL   A 1 6   ? -1.67   -15.209 -37.1   1   39.026 ? 18  VAL   A HB   1 c 1 
ATOM   68   H HG11 . VAL   A 1 6   ? -4.071  -14.116 -38.2   1   38.394 ? 18  VAL   A HG11 1 c 1 
ATOM   69   H HG12 . VAL   A 1 6   ? -2.973  -13.32  -37.375 1   37.668 ? 18  VAL   A HG12 1 c 1 
ATOM   70   H HG13 . VAL   A 1 6   ? -3.92   -14.357 -36.639 1   36.086 ? 18  VAL   A HG13 1 c 1 
ATOM   71   H HG21 . VAL   A 1 6   ? -3.399  -16.755 -36.67  1   37.491 ? 18  VAL   A HG21 1 c 1 
ATOM   72   H HG22 . VAL   A 1 6   ? -2.372  -17.353 -37.719 1   40.611 ? 18  VAL   A HG22 1 c 1 
ATOM   73   H HG23 . VAL   A 1 6   ? -3.763  -16.777 -38.214 1   39.92  ? 18  VAL   A HG23 1 c 1 
ATOM   74   N N    . THR   A 1 7   ? -0.112  -13.51  -39.027 1   44.746 ? 19  THR   A N    1 ? 1 
ATOM   75   C CA   . THR   A 1 7   ? 0.531   -12.262 -39.389 1   46.307 ? 19  THR   A CA   1 ? 1 
ATOM   76   C C    . THR   A 1 7   ? 0.432   -12.062 -40.902 1   48.224 ? 19  THR   A C    1 ? 1 
ATOM   77   O O    . THR   A 1 7   ? 0.124   -10.967 -41.374 1   49.558 ? 19  THR   A O    1 ? 1 
ATOM   78   C CB   . THR   A 1 7   ? 1.988   -12.28  -38.953 1   47.434 ? 19  THR   A CB   1 ? 1 
ATOM   79   O OG1  . THR   A 1 7   ? 1.947   -12.312 -37.531 1   45.036 ? 19  THR   A OG1  1 ? 1 
ATOM   80   C CG2  . THR   A 1 7   ? 2.766   -11.126 -39.582 1   49.138 ? 19  THR   A CG2  1 ? 1 
ATOM   81   H H    . THR   A 1 7   ? 0.346   -14.117 -38.518 1   44.388 ? 19  THR   A H    1 c 1 
ATOM   82   H HA   . THR   A 1 7   ? 0.07    -11.524 -38.934 1   44.742 ? 19  THR   A HA   1 c 1 
ATOM   83   H HB   . THR   A 1 7   ? 2.4     -13.117 -39.272 1   48.687 ? 19  THR   A HB   1 c 1 
ATOM   84   H HG1  . THR   A 1 7   ? 1.504   -11.657 -37.232 0   20     ? 19  THR   A HG1  1 c 1 
ATOM   85   H HG21 . THR   A 1 7   ? 3.637   -11.054 -39.156 1   49.651 ? 19  THR   A HG21 1 c 1 
ATOM   86   H HG22 . THR   A 1 7   ? 2.275   -10.296 -39.454 1   48.445 ? 19  THR   A HG22 1 c 1 
ATOM   87   H HG23 . THR   A 1 7   ? 2.885   -11.289 -40.532 1   51.304 ? 19  THR   A HG23 1 c 1 
ATOM   88   N N    . GLU   A 1 8   ? 0.677   -13.156 -41.646 1   50.902 ? 20  GLU   A N    1 ? 1 
ATOM   89   C CA   . GLU   A 1 8   ? 0.782   -13.06  -43.089 1   55.31  ? 20  GLU   A CA   1 ? 1 
ATOM   90   C C    . GLU   A 1 8   ? -0.576  -12.9   -43.785 1   56.024 ? 20  GLU   A C    1 ? 1 
ATOM   91   O O    . GLU   A 1 8   ? -0.654  -12.205 -44.793 1   57.097 ? 20  GLU   A O    1 ? 1 
ATOM   92   C CB   . GLU   A 1 8   ? 1.521   -14.305 -43.609 1   59.927 ? 20  GLU   A CB   1 ? 1 
ATOM   93   C CG   . GLU   A 1 8   ? 2.973   -14.403 -43.139 1   62.291 ? 20  GLU   A CG   1 ? 1 
ATOM   94   C CD   . GLU   A 1 8   ? 3.69    -15.722 -43.403 1   67.265 ? 20  GLU   A CD   1 ? 1 
ATOM   95   O OE1  . GLU   A 1 8   ? 3.448   -16.337 -44.465 1   73.714 ? 20  GLU   A OE1  1 ? 1 
ATOM   96   O OE2  . GLU   A 1 8   ? 4.567   -16.11  -42.6   1   68.662 ? 20  GLU   A OE2  1 ? 1 
ATOM   97   H H    . GLU   A 1 8   ? 0.802   -13.966 -41.244 1   50.888 ? 20  GLU   A H    1 c 1 
ATOM   98   H HA   . GLU   A 1 8   ? 1.333   -12.267 -43.304 1   56.576 ? 20  GLU   A HA   1 c 1 
ATOM   99   H HB2  . GLU   A 1 8   ? 1.034   -15.107 -43.326 1   58.713 ? 20  GLU   A HB2  1 c 1 
ATOM   100  H HB3  . GLU   A 1 8   ? 1.519   -14.284 -44.587 1   62.402 ? 20  GLU   A HB3  1 c 1 
ATOM   101  H HG2  . GLU   A 1 8   ? 3.487   -13.69  -43.575 1   64.019 ? 20  GLU   A HG2  1 c 1 
ATOM   102  H HG3  . GLU   A 1 8   ? 3.006   -14.224 -42.178 1   60.098 ? 20  GLU   A HG3  1 c 1 
ATOM   103  N N    . GLN   A 1 9   ? -1.591  -13.661 -43.36  1   54.621 ? 21  GLN   A N    1 ? 1 
ATOM   104  C CA   . GLN   A 1 9   ? -2.821  -13.814 -44.143 1   56.447 ? 21  GLN   A CA   1 ? 1 
ATOM   105  C C    . GLN   A 1 9   ? -4.041  -13.362 -43.348 1   52.063 ? 21  GLN   A C    1 ? 1 
ATOM   106  O O    . GLN   A 1 9   ? -5.156  -13.288 -43.895 1   52.58  ? 21  GLN   A O    1 ? 1 
ATOM   107  C CB   . GLN   A 1 9   ? -3.113  -15.264 -44.548 1   58.787 ? 21  GLN   A CB   1 ? 1 
ATOM   108  C CG   . GLN   A 1 9   ? -1.902  -15.995 -45.092 1   64.29  ? 21  GLN   A CG   1 ? 1 
ATOM   109  C CD   . GLN   A 1 9   ? -1.341  -15.262 -46.279 1   71.187 ? 21  GLN   A CD   1 ? 1 
ATOM   110  O OE1  . GLN   A 1 9   ? -2.094  -14.757 -47.124 1   76.01  ? 21  GLN   A OE1  1 ? 1 
ATOM   111  N NE2  . GLN   A 1 9   ? -0.021  -15.159 -46.32  1   75.91  ? 21  GLN   A NE2  1 ? 1 
ATOM   112  H H    . GLN   A 1 9   ? -1.503  -14.13  -42.58  1   53.313 ? 21  GLN   A H    1 c 1 
ATOM   113  H HA   . GLN   A 1 9   ? -2.752  -13.256 -44.959 1   58.281 ? 21  GLN   A HA   1 c 1 
ATOM   114  H HB2  . GLN   A 1 9   ? -3.449  -15.747 -43.769 1   56.87  ? 21  GLN   A HB2  1 c 1 
ATOM   115  H HB3  . GLN   A 1 9   ? -3.819  -15.266 -45.227 1   60.076 ? 21  GLN   A HB3  1 c 1 
ATOM   116  H HG2  . GLN   A 1 9   ? -1.217  -16.066 -44.394 1   63.183 ? 21  GLN   A HG2  1 c 1 
ATOM   117  H HG3  . GLN   A 1 9   ? -2.159  -16.903 -45.362 1   65.329 ? 21  GLN   A HG3  1 c 1 
ATOM   118  H HE21 . GLN   A 1 9   ? 0.356   -14.442 -46.685 1   75.919 ? 21  GLN   A HE21 1 c 1 
ATOM   119  H HE22 . GLN   A 1 9   ? 0.485   -15.809 -45.99  1   74.692 ? 21  GLN   A HE22 1 c 1 
ATOM   120  N N    . GLY   A 1 10  ? -3.823  -13.09  -42.051 1   46.543 ? 22  GLY   A N    1 ? 1 
ATOM   121  C CA   . GLY   A 1 10  ? -4.913  -12.731 -41.178 1   43.854 ? 22  GLY   A CA   1 ? 1 
ATOM   122  C C    . GLY   A 1 10  ? -5.586  -11.425 -41.551 1   43.625 ? 22  GLY   A C    1 ? 1 
ATOM   123  O O    . GLY   A 1 10  ? -4.936  -10.462 -41.9   1   46.476 ? 22  GLY   A O    1 ? 1 
ATOM   124  H H    . GLY   A 1 10  ? -2.976  -13.118 -41.709 1   46.974 ? 22  GLY   A H    1 c 1 
ATOM   125  H HA2  . GLY   A 1 10  ? -5.578  -13.452 -41.198 1   43.638 ? 22  GLY   A HA2  1 c 1 
ATOM   126  H HA3  . GLY   A 1 10  ? -4.573  -12.665 -40.256 1   41.952 ? 22  GLY   A HA3  1 c 1 
ATOM   127  N N    . GLU   A 1 11  ? -6.915  -11.412 -41.404 1   42.768 ? 23  GLU   A N    1 ? 1 
ATOM   128  C CA   . GLU   A 1 11  ? -7.724  -10.226 -41.61  1   41.685 ? 23  GLU   A CA   1 ? 1 
ATOM   129  C C    . GLU   A 1 11  ? -7.702  -9.419  -40.309 1   38.208 ? 23  GLU   A C    1 ? 1 
ATOM   130  O O    . GLU   A 1 11  ? -7.841  -9.957  -39.22  1   35.038 ? 23  GLU   A O    1 ? 1 
ATOM   131  C CB   . GLU   A 1 11  ? -9.113  -10.732 -41.98  1   44.089 ? 23  GLU   A CB   1 ? 1 
ATOM   132  C CG   . GLU   A 1 11  ? -10.234 -9.698  -41.94  1   48.643 ? 23  GLU   A CG   1 ? 1 
ATOM   133  C CD   . GLU   A 1 11  ? -11.558 -10.227 -42.486 1   56.566 ? 23  GLU   A CD   1 ? 1 
ATOM   134  O OE1  . GLU   A 1 11  ? -11.643 -11.416 -42.874 1   62.583 ? 23  GLU   A OE1  1 ? 1 
ATOM   135  O OE2  . GLU   A 1 11  ? -12.525 -9.44   -42.528 1   65.501 ? 23  GLU   A OE2  1 ? 1 
ATOM   136  H H    . GLU   A 1 11  ? -7.335  -12.186 -41.158 1   41.836 ? 23  GLU   A H    1 c 1 
ATOM   137  H HA   . GLU   A 1 11  ? -7.339  -9.692  -42.349 1   43.707 ? 23  GLU   A HA   1 c 1 
ATOM   138  H HB2  . GLU   A 1 11  ? -9.073  -11.109 -42.884 1   46.057 ? 23  GLU   A HB2  1 c 1 
ATOM   139  H HB3  . GLU   A 1 11  ? -9.357  -11.457 -41.368 1   42.943 ? 23  GLU   A HB3  1 c 1 
ATOM   140  H HG2  . GLU   A 1 11  ? -10.372 -9.406  -41.014 1   46.629 ? 23  GLU   A HG2  1 c 1 
ATOM   141  H HG3  . GLU   A 1 11  ? -9.968  -8.913  -42.466 1   49.633 ? 23  GLU   A HG3  1 c 1 
ATOM   142  N N    . ASP   A 1 12  ? -7.516  -8.121  -40.44  1   37.927 ? 24  ASP   A N    1 ? 1 
ATOM   143  C CA   . ASP   A 1 12  ? -7.691  -7.211  -39.317 1   34.789 ? 24  ASP   A CA   1 ? 1 
ATOM   144  C C    . ASP   A 1 12  ? -9.167  -6.98   -38.978 1   34.092 ? 24  ASP   A C    1 ? 1 
ATOM   145  O O    . ASP   A 1 12  ? -9.908  -6.329  -39.741 1   36.192 ? 24  ASP   A O    1 ? 1 
ATOM   146  C CB   . ASP   A 1 12  ? -6.956  -5.922  -39.581 1   37.165 ? 24  ASP   A CB   1 ? 1 
ATOM   147  C CG   . ASP   A 1 12  ? -6.966  -4.942  -38.418 1   35.723 ? 24  ASP   A CG   1 ? 1 
ATOM   148  O OD1  . ASP   A 1 12  ? -7.641  -5.215  -37.384 1   35.659 ? 24  ASP   A OD1  1 ? 1 
ATOM   149  O OD2  . ASP   A 1 12  ? -6.358  -3.882  -38.561 1   37.977 ? 24  ASP   A OD2  1 ? 1 
ATOM   150  H H    . ASP   A 1 12  ? -7.27   -7.779  -41.251 1   39.707 ? 24  ASP   A H    1 c 1 
ATOM   151  H HA   . ASP   A 1 12  ? -7.258  -7.614  -38.532 1   33.631 ? 24  ASP   A HA   1 c 1 
ATOM   152  H HB2  . ASP   A 1 12  ? -6.023  -6.129  -39.801 1   37.551 ? 24  ASP   A HB2  1 c 1 
ATOM   153  H HB3  . ASP   A 1 12  ? -7.359  -5.481  -40.358 1   38.707 ? 24  ASP   A HB3  1 c 1 
ATOM   154  N N    . ILE   A 1 13  ? -9.596  -7.502  -37.81  1   32.613 ? 25  ILE   A N    1 ? 1 
ATOM   155  C CA   . ILE   A 1 13  ? -11.003 -7.402  -37.438 1   32.719 ? 25  ILE   A CA   1 ? 1 
ATOM   156  C C    . ILE   A 1 13  ? -11.276 -6.332  -36.371 1   32.549 ? 25  ILE   A C    1 ? 1 
ATOM   157  O O    . ILE   A 1 13  ? -12.419 -6.223  -35.905 1   35.587 ? 25  ILE   A O    1 ? 1 
ATOM   158  C CB   . ILE   A 1 13  ? -11.571 -8.772  -37.044 1   32.536 ? 25  ILE   A CB   1 ? 1 
ATOM   159  C CG1  . ILE   A 1 13  ? -10.888 -9.301  -35.789 1   31.678 ? 25  ILE   A CG1  1 ? 1 
ATOM   160  C CG2  . ILE   A 1 13  ? -11.508 -9.751  -38.231 1   35.687 ? 25  ILE   A CG2  1 ? 1 
ATOM   161  C CD1  . ILE   A 1 13  ? -11.61  -10.485 -35.171 1   31.588 ? 25  ILE   A CD1  1 ? 1 
ATOM   162  H H    . ILE   A 1 13  ? -9.009  -7.912  -37.243 1   31.57  ? 25  ILE   A H    1 c 1 
ATOM   163  H HA   . ILE   A 1 13  ? -11.488 -7.125  -38.24  1   34.115 ? 25  ILE   A HA   1 c 1 
ATOM   164  H HB   . ILE   A 1 13  ? -12.515 -8.642  -36.825 1   32.41  ? 25  ILE   A HB   1 c 1 
ATOM   165  H HG12 . ILE   A 1 13  ? -9.974  -9.571  -36.015 1   32.006 ? 25  ILE   A HG12 1 c 1 
ATOM   166  H HG13 . ILE   A 1 13  ? -10.835 -8.583  -35.126 1   30.958 ? 25  ILE   A HG13 1 c 1 
ATOM   167  H HG21 . ILE   A 1 13  ? -11.939 -10.588 -37.987 1   34.654 ? 25  ILE   A HG21 1 c 1 
ATOM   168  H HG22 . ILE   A 1 13  ? -10.58  -9.923  -38.463 1   35.718 ? 25  ILE   A HG22 1 c 1 
ATOM   169  H HG23 . ILE   A 1 13  ? -11.966 -9.365  -38.996 1   36.69  ? 25  ILE   A HG23 1 c 1 
ATOM   170  H HD11 . ILE   A 1 13  ? -12.534 -10.238 -34.978 1   31.298 ? 25  ILE   A HD11 1 c 1 
ATOM   171  H HD12 . ILE   A 1 13  ? -11.162 -10.741 -34.343 1   30.325 ? 25  ILE   A HD12 1 c 1 
ATOM   172  H HD13 . ILE   A 1 13  ? -11.599 -11.239 -35.791 1   32.112 ? 25  ILE   A HD13 1 c 1 
ATOM   173  N N    . THR   A 1 14  ? -10.297 -5.463  -36.085 1   32.529 ? 26  THR   A N    1 ? 1 
ATOM   174  C CA   . THR   A 1 14  ? -10.494 -4.329  -35.189 1   34.239 ? 26  THR   A CA   1 ? 1 
ATOM   175  C C    . THR   A 1 14  ? -11.223 -3.197  -35.909 1   37.124 ? 26  THR   A C    1 ? 1 
ATOM   176  O O    . THR   A 1 14  ? -11.067 -3.013  -37.121 1   39.775 ? 26  THR   A O    1 ? 1 
ATOM   177  C CB   . THR   A 1 14  ? -9.174  -3.828  -34.603 1   33.395 ? 26  THR   A CB   1 ? 1 
ATOM   178  O OG1  . THR   A 1 14  ? -8.429  -3.261  -35.682 1   34.39  ? 26  THR   A OG1  1 ? 1 
ATOM   179  C CG2  . THR   A 1 14  ? -8.365  -4.93   -33.945 1   32.694 ? 26  THR   A CG2  1 ? 1 
ATOM   180  H H    . THR   A 1 14  ? -9.476  -5.577  -36.469 1   32.904 ? 26  THR   A H    1 c 1 
ATOM   181  H HA   . THR   A 1 14  ? -11.057 -4.632  -34.445 1   32.894 ? 26  THR   A HA   1 c 1 
ATOM   182  H HB   . THR   A 1 14  ? -9.358  -3.127  -33.933 1   33.73  ? 26  THR   A HB   1 c 1 
ATOM   183  H HG1  . THR   A 1 14  ? -8.294  -3.883  -36.293 0   20     ? 26  THR   A HG1  1 c 1 
ATOM   184  H HG21 . THR   A 1 14  ? -7.543  -4.56   -33.584 1   32.574 ? 26  THR   A HG21 1 c 1 
ATOM   185  H HG22 . THR   A 1 14  ? -8.151  -5.612  -34.603 1   32.661 ? 26  THR   A HG22 1 c 1 
ATOM   186  H HG23 . THR   A 1 14  ? -8.884  -5.328  -33.225 1   31.147 ? 26  THR   A HG23 1 c 1 
ATOM   187  N N    . SER   A 1 15  ? -12.018 -2.444  -35.159 1   38.767 ? 27  SER   A N    1 ? 1 
ATOM   188  C CA   . SER   A 1 15  ? -12.681 -1.253  -35.681 1   41.119 ? 27  SER   A CA   1 ? 1 
ATOM   189  C C    . SER   A 1 15  ? -11.665 -0.18   -36.045 1   40.88  ? 27  SER   A C    1 ? 1 
ATOM   190  O O    . SER   A 1 15  ? -11.841 0.558   -37.036 1   43.296 ? 27  SER   A O    1 ? 1 
ATOM   191  C CB   . SER   A 1 15  ? -13.695 -0.693  -34.703 1   44.185 ? 27  SER   A CB   1 ? 1 
ATOM   192  O OG   . SER   A 1 15  ? -14.644 -1.703  -34.394 1   47.695 ? 27  SER   A OG   1 ? 1 
ATOM   193  H H    . SER   A 1 15  ? -12.156 -2.674  -34.285 1   37.337 ? 27  SER   A H    1 c 1 
ATOM   194  H HA   . SER   A 1 15  ? -13.162 -1.511  -36.508 1   41.838 ? 27  SER   A HA   1 c 1 
ATOM   195  H HB2  . SER   A 1 15  ? -13.242 -0.404  -33.888 1   43.551 ? 27  SER   A HB2  1 c 1 
ATOM   196  H HB3  . SER   A 1 15  ? -14.145 0.074   -35.103 1   45.731 ? 27  SER   A HB3  1 c 1 
ATOM   197  H HG   . SER   A 1 15  ? -15.215 -1.373  -33.86  0   20     ? 27  SER   A HG   1 c 1 
ATOM   198  N N    . LYS   A 1 16  ? -10.615 -0.071  -35.224 1   40.028 ? 28  LYS   A N    1 ? 1 
ATOM   199  C CA   . LYS   A 1 16  ? -9.602  0.96    -35.411 1   42.801 ? 28  LYS   A CA   1 ? 1 
ATOM   200  C C    . LYS   A 1 16  ? -8.616  0.6     -36.512 1   42.142 ? 28  LYS   A C    1 ? 1 
ATOM   201  O O    . LYS   A 1 16  ? -7.818  1.441   -36.874 1   45.699 ? 28  LYS   A O    1 ? 1 
ATOM   202  C CB   . LYS   A 1 16  ? -8.78   1.153   -34.132 1   43.527 ? 28  LYS   A CB   1 ? 1 
ATOM   203  C CG   . LYS   A 1 16  ? -9.543  1.809   -32.999 1   46.085 ? 28  LYS   A CG   1 ? 1 
ATOM   204  C CD   . LYS   A 1 16  ? -8.593  2.343   -31.937 1   50.715 ? 28  LYS   A CD   1 ? 1 
ATOM   205  C CE   . LYS   A 1 16  ? -9.23   3.284   -30.956 1   54.443 ? 28  LYS   A CE   1 ? 1 
ATOM   206  N NZ   . LYS   A 1 16  ? -9.83   2.567   -29.829 1   56.755 ? 28  LYS   A NZ   1 ? 1 
ATOM   207  H H    . LYS   A 1 16  ? -10.529 -0.651  -34.522 1   38.608 ? 28  LYS   A H    1 c 1 
ATOM   208  H HA   . LYS   A 1 16  ? -10.052 1.812   -35.645 1   44.394 ? 28  LYS   A HA   1 c 1 
ATOM   209  H HB2  . LYS   A 1 16  ? -8.458  0.278   -33.826 1   41.803 ? 28  LYS   A HB2  1 c 1 
ATOM   210  H HB3  . LYS   A 1 16  ? -7.996  1.705   -34.338 1   44.786 ? 28  LYS   A HB3  1 c 1 
ATOM   211  H HG2  . LYS   A 1 16  ? -10.08  2.547   -33.36  1   47.818 ? 28  LYS   A HG2  1 c 1 
ATOM   212  H HG3  . LYS   A 1 16  ? -10.149 1.151   -32.595 1   44.626 ? 28  LYS   A HG3  1 c 1 
ATOM   213  H HD2  . LYS   A 1 16  ? -8.213  1.582   -31.446 1   48.58  ? 28  LYS   A HD2  1 c 1 
ATOM   214  H HD3  . LYS   A 1 16  ? -7.852  2.808   -32.382 1   51.523 ? 28  LYS   A HD3  1 c 1 
ATOM   215  H HE2  . LYS   A 1 16  ? -8.554  3.897   -30.615 1   55.619 ? 28  LYS   A HE2  1 c 1 
ATOM   216  H HE3  . LYS   A 1 16  ? -9.918  3.81    -31.402 1   55.762 ? 28  LYS   A HE3  1 c 1 
ATOM   217  H HZ1  . LYS   A 1 16  ? -9.202  2.066   -29.409 1   54.481 ? 28  LYS   A HZ1  1 c 1 
ATOM   218  H HZ2  . LYS   A 1 16  ? -10.492 2.026   -30.129 1   54.798 ? 28  LYS   A HZ2  1 c 1 
ATOM   219  H HZ3  . LYS   A 1 16  ? -10.177 3.162   -29.241 1   56.488 ? 28  LYS   A HZ3  1 c 1 
ATOM   220  N N    . LYS   A 1 17  ? -8.661  -0.644  -37.005 1   38.561 ? 29  LYS   A N    1 ? 1 
ATOM   221  C CA   . LYS   A 1 17  ? -7.745  -1.138  -38.027 1   41.263 ? 29  LYS   A CA   1 ? 1 
ATOM   222  C C    . LYS   A 1 17  ? -6.281  -0.946  -37.619 1   40.381 ? 29  LYS   A C    1 ? 1 
ATOM   223  O O    . LYS   A 1 17  ? -5.45   -0.454  -38.378 1   42.885 ? 29  LYS   A O    1 ? 1 
ATOM   224  C CB   . LYS   A 1 17  ? -8.099  -0.516  -39.381 1   46.237 ? 29  LYS   A CB   1 ? 1 
ATOM   225  C CG   . LYS   A 1 17  ? -9.441  -1.019  -39.948 1   49.728 ? 29  LYS   A CG   1 ? 1 
ATOM   226  C CD   . LYS   A 1 17  ? -9.451  -2.525  -40.225 1   50.724 ? 29  LYS   A CD   1 ? 1 
ATOM   227  C CE   . LYS   A 1 17  ? -10.275 -2.981  -41.41  1   56.959 ? 29  LYS   A CE   1 ? 1 
ATOM   228  N NZ   . LYS   A 1 17  ? -11.645 -3.328  -41.038 1   58.472 ? 29  LYS   A NZ   1 ? 1 
ATOM   229  H H    . LYS   A 1 17  ? -9.289  -1.222  -36.68  1   38.027 ? 29  LYS   A H    1 c 1 
ATOM   230  H HA   . LYS   A 1 17  ? -7.901  -2.11   -38.11  1   39.905 ? 29  LYS   A HA   1 c 1 
ATOM   231  H HB2  . LYS   A 1 17  ? -8.142  0.459   -39.289 1   47.745 ? 29  LYS   A HB2  1 c 1 
ATOM   232  H HB3  . LYS   A 1 17  ? -7.39   -0.727  -40.026 1   47.583 ? 29  LYS   A HB3  1 c 1 
ATOM   233  H HG2  . LYS   A 1 17  ? -10.153 -0.806  -39.306 1   48.312 ? 29  LYS   A HG2  1 c 1 
ATOM   234  H HG3  . LYS   A 1 17  ? -9.63   -0.536  -40.782 1   51.747 ? 29  LYS   A HG3  1 c 1 
ATOM   235  H HD2  . LYS   A 1 17  ? -8.523  -2.817  -40.362 1   50.988 ? 29  LYS   A HD2  1 c 1 
ATOM   236  H HD3  . LYS   A 1 17  ? -9.779  -2.984  -39.421 1   48.889 ? 29  LYS   A HD3  1 c 1 
ATOM   237  H HE2  . LYS   A 1 17  ? -10.3   -2.276  -42.081 1   58.664 ? 29  LYS   A HE2  1 c 1 
ATOM   238  H HE3  . LYS   A 1 17  ? -9.853  -3.762  -41.812 1   56.463 ? 29  LYS   A HE3  1 c 1 
ATOM   239  H HZ1  . LYS   A 1 17  ? -12.053 -2.606  -40.671 1   57.807 ? 29  LYS   A HZ1  1 c 1 
ATOM   240  H HZ2  . LYS   A 1 17  ? -11.639 -4.004  -40.435 1   55.983 ? 29  LYS   A HZ2  1 c 1 
ATOM   241  H HZ3  . LYS   A 1 17  ? -12.108 -3.589  -41.772 1   59.019 ? 29  LYS   A HZ3  1 c 1 
ATOM   242  N N    . ASP   A 1 18  ? -5.974  -1.44   -36.416 1   37.255 ? 30  ASP   A N    1 ? 1 
ATOM   243  C CA   . ASP   A 1 18  ? -4.661  -1.316  -35.796 1   38.724 ? 30  ASP   A CA   1 ? 1 
ATOM   244  C C    . ASP   A 1 18  ? -3.974  -2.685  -35.725 1   36.438 ? 30  ASP   A C    1 ? 1 
ATOM   245  O O    . ASP   A 1 18  ? -2.949  -2.845  -35.064 1   36.598 ? 30  ASP   A O    1 ? 1 
ATOM   246  C CB   . ASP   A 1 18  ? -4.809  -0.646  -34.436 1   36.534 ? 30  ASP   A CB   1 ? 1 
ATOM   247  C CG   . ASP   A 1 18  ? -5.63   -1.43   -33.406 1   34.76  ? 30  ASP   A CG   1 ? 1 
ATOM   248  O OD1  . ASP   A 1 18  ? -5.918  -2.58   -33.667 1   33.021 ? 30  ASP   A OD1  1 ? 1 
ATOM   249  O OD2  . ASP   A 1 18  ? -6.068  -0.852  -32.416 1   34.951 ? 30  ASP   A OD2  1 ? 1 
ATOM   250  H H    . ASP   A 1 18  ? -6.625  -1.887  -35.955 1   36.196 ? 30  ASP   A H    1 c 1 
ATOM   251  H HA   . ASP   A 1 18  ? -4.109  -0.723  -36.354 1   40.126 ? 30  ASP   A HA   1 c 1 
ATOM   252  H HB2  . ASP   A 1 18  ? -3.916  -0.495  -34.062 1   37.188 ? 30  ASP   A HB2  1 c 1 
ATOM   253  H HB3  . ASP   A 1 18  ? -5.234  0.228   -34.562 1   38.221 ? 30  ASP   A HB3  1 c 1 
ATOM   254  N N    . ARG   A 1 19  ? -4.525  -3.672  -36.442 1   35.766 ? 31  ARG   A N    1 ? 1 
ATOM   255  C CA   . ARG   A 1 19  ? -3.978  -5.02   -36.53  1   34.056 ? 31  ARG   A CA   1 ? 1 
ATOM   256  C C    . ARG   A 1 19  ? -3.884  -5.647  -35.146 1   32.565 ? 31  ARG   A C    1 ? 1 
ATOM   257  O O    . ARG   A 1 19  ? -3.212  -6.663  -35     1   32.393 ? 31  ARG   A O    1 ? 1 
ATOM   258  C CB   . ARG   A 1 19  ? -2.648  -5.068  -37.313 1   35.801 ? 31  ARG   A CB   1 ? 1 
ATOM   259  C CG   . ARG   A 1 19  ? -2.825  -4.766  -38.796 1   38.907 ? 31  ARG   A CG   1 ? 1 
ATOM   260  C CD   . ARG   A 1 19  ? -1.492  -4.828  -39.536 1   40.995 ? 31  ARG   A CD   1 ? 1 
ATOM   261  N NE   . ARG   A 1 19  ? -0.775  -6.099  -39.419 1   41.247 ? 31  ARG   A NE   1 ? 1 
ATOM   262  C CZ   . ARG   A 1 19  ? -0.948  -7.25   -40.096 1   43.346 ? 31  ARG   A CZ   1 ? 1 
ATOM   263  N NH1  . ARG   A 1 19  ? -1.906  -7.386  -41.004 1   44.427 ? 31  ARG   A NH1  1 ? 1 
ATOM   264  N NH2  . ARG   A 1 19  ? -0.137  -8.296  -39.865 1   43.173 ? 31  ARG   A NH2  1 ? 1 
ATOM   265  H H    . ARG   A 1 19  ? -5.286  -3.493  -36.913 1   36.246 ? 31  ARG   A H    1 c 1 
ATOM   266  H HA   . ARG   A 1 19  ? -4.622  -5.563  -37.05  1   34.215 ? 31  ARG   A HA   1 c 1 
ATOM   267  H HB2  . ARG   A 1 19  ? -2.023  -4.418  -36.927 1   36.466 ? 31  ARG   A HB2  1 c 1 
ATOM   268  H HB3  . ARG   A 1 19  ? -2.251  -5.96   -37.216 1   35.379 ? 31  ARG   A HB3  1 c 1 
ATOM   269  H HG2  . ARG   A 1 19  ? -3.443  -5.418  -39.191 1   38.476 ? 31  ARG   A HG2  1 c 1 
ATOM   270  H HG3  . ARG   A 1 19  ? -3.211  -3.869  -38.903 1   39.532 ? 31  ARG   A HG3  1 c 1 
ATOM   271  H HD2  . ARG   A 1 19  ? -1.659  -4.645  -40.484 1   43.065 ? 31  ARG   A HD2  1 c 1 
ATOM   272  H HD3  . ARG   A 1 19  ? -0.919  -4.109  -39.197 1   41.805 ? 31  ARG   A HD3  1 c 1 
ATOM   273  H HE   . ARG   A 1 19  ? -0.143  -6.121  -38.817 1   41.002 ? 31  ARG   A HE   1 c 1 
ATOM   274  H HH11 . ARG   A 1 19  ? -2.533  -6.768  -41.083 1   44.297 ? 31  ARG   A HH11 1 c 1 
ATOM   275  H HH12 . ARG   A 1 19  ? -1.917  -8.097  -41.532 1   45.22  ? 31  ARG   A HH12 1 c 1 
ATOM   276  H HH21 . ARG   A 1 19  ? 0.576   -8.197  -39.351 1   43.005 ? 31  ARG   A HH21 1 c 1 
ATOM   277  H HH22 . ARG   A 1 19  ? -0.316  -9.082  -40.228 1   43.452 ? 31  ARG   A HH22 1 c 1 
ATOM   278  N N    . GLY   A 1 20  ? -4.675  -5.118  -34.209 1   30.408 ? 32  GLY   A N    1 ? 1 
ATOM   279  C CA   . GLY   A 1 20  ? -4.623  -5.565  -32.808 1   30.31  ? 32  GLY   A CA   1 ? 1 
ATOM   280  C C    . GLY   A 1 20  ? -5.177  -6.979  -32.632 1   28.609 ? 32  GLY   A C    1 ? 1 
ATOM   281  O O    . GLY   A 1 20  ? -4.802  -7.698  -31.695 1   29.177 ? 32  GLY   A O    1 ? 1 
ATOM   282  H H    . GLY   A 1 20  ? -5.289  -4.482  -34.441 1   31.423 ? 32  GLY   A H    1 c 1 
ATOM   283  H HA2  . GLY   A 1 20  ? -3.69   -5.541  -32.498 1   30.118 ? 32  GLY   A HA2  1 c 1 
ATOM   284  H HA3  . GLY   A 1 20  ? -5.141  -4.939  -32.255 1   29.758 ? 32  GLY   A HA3  1 c 1 
ATOM   285  N N    . VAL   A 1 21  ? -6.116  -7.351  -33.522 1   29.086 ? 33  VAL   A N    1 ? 1 
ATOM   286  C CA   . VAL   A 1 21  ? -6.681  -8.686  -33.563 1   29.045 ? 33  VAL   A CA   1 ? 1 
ATOM   287  C C    . VAL   A 1 21  ? -6.724  -9.138  -35.016 1   30.589 ? 33  VAL   A C    1 ? 1 
ATOM   288  O O    . VAL   A 1 21  ? -7.465  -8.526  -35.804 1   31.479 ? 33  VAL   A O    1 ? 1 
ATOM   289  C CB   . VAL   A 1 21  ? -8.088  -8.708  -32.946 1   29.463 ? 33  VAL   A CB   1 ? 1 
ATOM   290  C CG1  . VAL   A 1 21  ? -8.668  -10.11  -32.843 1   29.284 ? 33  VAL   A CG1  1 ? 1 
ATOM   291  C CG2  . VAL   A 1 21  ? -8.052  -8.088  -31.551 1   28.48  ? 33  VAL   A CG2  1 ? 1 
ATOM   292  H H    . VAL   A 1 21  ? -6.406  -6.741  -34.137 1   30.334 ? 33  VAL   A H    1 c 1 
ATOM   293  H HA   . VAL   A 1 21  ? -6.104  -9.29   -33.057 1   28.452 ? 33  VAL   A HA   1 c 1 
ATOM   294  H HB   . VAL   A 1 21  ? -8.676  -8.162  -33.519 1   30.004 ? 33  VAL   A HB   1 c 1 
ATOM   295  H HG11 . VAL   A 1 21  ? -8.063  -10.675 -32.333 1   28.813 ? 33  VAL   A HG11 1 c 1 
ATOM   296  H HG12 . VAL   A 1 21  ? -8.783  -10.482 -33.734 1   29.802 ? 33  VAL   A HG12 1 c 1 
ATOM   297  H HG13 . VAL   A 1 21  ? -9.53   -10.074 -32.396 1   28.757 ? 33  VAL   A HG13 1 c 1 
ATOM   298  H HG21 . VAL   A 1 21  ? -8.911  -8.22   -31.115 1   28     ? 33  VAL   A HG21 1 c 1 
ATOM   299  H HG22 . VAL   A 1 21  ? -7.87   -7.136  -31.621 1   29.053 ? 33  VAL   A HG22 1 c 1 
ATOM   300  H HG23 . VAL   A 1 21  ? -7.355  -8.513  -31.024 1   28.073 ? 33  VAL   A HG23 1 c 1 
ATOM   301  N N    . LEU   A 1 22  ? -5.927  -10.171 -35.31  1   32.501 ? 34  LEU   A N    1 ? 1 
ATOM   302  C CA   . LEU   A 1 22  ? -5.844  -10.713 -36.662 1   32.87  ? 34  LEU   A CA   1 ? 1 
ATOM   303  C C    . LEU   A 1 22  ? -6.47   -12.093 -36.666 1   32.814 ? 34  LEU   A C    1 ? 1 
ATOM   304  O O    . LEU   A 1 22  ? -6.197  -12.89  -35.776 1   32.446 ? 34  LEU   A O    1 ? 1 
ATOM   305  C CB   . LEU   A 1 22  ? -4.394  -10.758 -37.094 1   34.168 ? 34  LEU   A CB   1 ? 1 
ATOM   306  C CG   . LEU   A 1 22  ? -3.7    -9.399  -37.206 1   35.728 ? 34  LEU   A CG   1 ? 1 
ATOM   307  C CD1  . LEU   A 1 22  ? -2.22   -9.754  -37.413 1   37.38  ? 34  LEU   A CD1  1 ? 1 
ATOM   308  C CD2  . LEU   A 1 22  ? -4.292  -8.618  -38.398 1   39.39  ? 34  LEU   A CD2  1 ? 1 
ATOM   309  H H    . LEU   A 1 22  ? -5.418  -10.551 -34.652 1   31.234 ? 34  LEU   A H    1 c 1 
ATOM   310  H HA   . LEU   A 1 22  ? -6.352  -10.125 -37.272 1   33.918 ? 34  LEU   A HA   1 c 1 
ATOM   311  H HB2  . LEU   A 1 22  ? -3.898  -11.312 -36.447 1   33.569 ? 34  LEU   A HB2  1 c 1 
ATOM   312  H HB3  . LEU   A 1 22  ? -4.348  -11.205 -37.972 1   35.646 ? 34  LEU   A HB3  1 c 1 
ATOM   313  H HG   . LEU   A 1 22  ? -3.819  -8.891  -36.363 1   34.656 ? 34  LEU   A HG   1 c 1 
ATOM   314  H HD11 . LEU   A 1 22  ? -1.887  -10.23  -36.634 1   36.314 ? 34  LEU   A HD11 1 c 1 
ATOM   315  H HD12 . LEU   A 1 22  ? -1.705  -8.94   -37.538 1   38.127 ? 34  LEU   A HD12 1 c 1 
ATOM   316  H HD13 . LEU   A 1 22  ? -2.128  -10.318 -38.2   1   38.665 ? 34  LEU   A HD13 1 c 1 
ATOM   317  H HD21 . LEU   A 1 22  ? -5.22   -8.4    -38.216 1   38.006 ? 34  LEU   A HD21 1 c 1 
ATOM   318  H HD22 . LEU   A 1 22  ? -4.24   -9.162  -39.202 1   40.286 ? 34  LEU   A HD22 1 c 1 
ATOM   319  H HD23 . LEU   A 1 22  ? -3.789  -7.797  -38.531 1   39.732 ? 34  LEU   A HD23 1 c 1 
ATOM   320  N N    . LYS   A 1 23  ? -7.204  -12.39  -37.749 1   35.078 ? 35  LYS   A N    1 ? 1 
ATOM   321  C CA   . LYS   A 1 23  ? -8.01   -13.589 -37.81  1   36.302 ? 35  LYS   A CA   1 ? 1 
ATOM   322  C C    . LYS   A 1 23  ? -7.781  -14.333 -39.126 1   37.594 ? 35  LYS   A C    1 ? 1 
ATOM   323  O O    . LYS   A 1 23  ? -7.825  -13.72  -40.196 1   40.876 ? 35  LYS   A O    1 ? 1 
ATOM   324  C CB   . LYS   A 1 23  ? -9.486  -13.215 -37.736 1   36.793 ? 35  LYS   A CB   1 ? 1 
ATOM   325  C CG   . LYS   A 1 23  ? -10.417 -14.417 -37.808 1   38.012 ? 35  LYS   A CG   1 ? 1 
ATOM   326  C CD   . LYS   A 1 23  ? -11.889 -14.052 -37.749 1   37.791 ? 35  LYS   A CD   1 ? 1 
ATOM   327  C CE   . LYS   A 1 23  ? -12.662 -15.307 -37.821 1   39.935 ? 35  LYS   A CE   1 ? 1 
ATOM   328  N NZ   . LYS   A 1 23  ? -14.027 -15.006 -38.227 1   39.64  ? 35  LYS   A NZ   1 ? 1 
ATOM   329  H H    . LYS   A 1 23  ? -7.195  -11.828 -38.47  1   36.103 ? 35  LYS   A H    1 c 1 
ATOM   330  H HA   . LYS   A 1 23  ? -7.775  -14.176 -37.052 1   35.366 ? 35  LYS   A HA   1 c 1 
ATOM   331  H HB2  . LYS   A 1 23  ? -9.654  -12.737 -36.896 1   35.5   ? 35  LYS   A HB2  1 c 1 
ATOM   332  H HB3  . LYS   A 1 23  ? -9.699  -12.609 -38.477 1   37.777 ? 35  LYS   A HB3  1 c 1 
ATOM   333  H HG2  . LYS   A 1 23  ? -10.243 -14.901 -38.645 1   39.422 ? 35  LYS   A HG2  1 c 1 
ATOM   334  H HG3  . LYS   A 1 23  ? -10.207 -15.021 -37.062 1   36.869 ? 35  LYS   A HG3  1 c 1 
ATOM   335  H HD2  . LYS   A 1 23  ? -12.089 -13.588 -36.907 1   36.577 ? 35  LYS   A HD2  1 c 1 
ATOM   336  H HD3  . LYS   A 1 23  ? -12.123 -13.473 -38.507 1   39.213 ? 35  LYS   A HD3  1 c 1 
ATOM   337  H HE2  . LYS   A 1 23  ? -12.264 -15.919 -38.466 1   40.904 ? 35  LYS   A HE2  1 c 1 
ATOM   338  H HE3  . LYS   A 1 23  ? -12.675 -15.74  -36.949 1   38.504 ? 35  LYS   A HE3  1 c 1 
ATOM   339  H HZ1  . LYS   A 1 23  ? -14.031 -14.647 -39.059 1   41.126 ? 35  LYS   A HZ1  1 c 1 
ATOM   340  H HZ2  . LYS   A 1 23  ? -14.397 -14.418 -37.647 1   38.708 ? 35  LYS   A HZ2  1 c 1 
ATOM   341  H HZ3  . LYS   A 1 23  ? -14.519 -15.767 -38.231 1   40.392 ? 35  LYS   A HZ3  1 c 1 
ATOM   342  N N    . ILE   A 1 24  ? -7.633  -15.648 -39.044 1   40.593 ? 36  ILE   A N    1 ? 1 
ATOM   343  C CA   . ILE   A 1 24  ? -7.724  -16.479 -40.233 1   41.604 ? 36  ILE   A CA   1 ? 1 
ATOM   344  C C    . ILE   A 1 24  ? -8.788  -17.505 -39.947 1   42.667 ? 36  ILE   A C    1 ? 1 
ATOM   345  O O    . ILE   A 1 24  ? -8.717  -18.208 -38.939 1   41.542 ? 36  ILE   A O    1 ? 1 
ATOM   346  C CB   . ILE   A 1 24  ? -6.418  -17.197 -40.584 1   44.418 ? 36  ILE   A CB   1 ? 1 
ATOM   347  C CG1  . ILE   A 1 24  ? -5.307  -16.221 -40.809 1   45.413 ? 36  ILE   A CG1  1 ? 1 
ATOM   348  C CG2  . ILE   A 1 24  ? -6.612  -18.196 -41.737 1   47.683 ? 36  ILE   A CG2  1 ? 1 
ATOM   349  C CD1  . ILE   A 1 24  ? -4.104  -16.87  -41.438 1   50.747 ? 36  ILE   A CD1  1 ? 1 
ATOM   350  H H    . ILE   A 1 24  ? -7.467  -16.042 -38.236 1   38.856 ? 36  ILE   A H    1 c 1 
ATOM   351  H HA   . ILE   A 1 24  ? -8      -15.93  -40.991 1   43.134 ? 36  ILE   A HA   1 c 1 
ATOM   352  H HB   . ILE   A 1 24  ? -6.169  -17.723 -39.798 1   43.428 ? 36  ILE   A HB   1 c 1 
ATOM   353  H HG12 . ILE   A 1 24  ? -5.627  -15.505 -41.394 1   46.223 ? 36  ILE   A HG12 1 c 1 
ATOM   354  H HG13 . ILE   A 1 24  ? -5.049  -15.824 -39.952 1   43.953 ? 36  ILE   A HG13 1 c 1 
ATOM   355  H HG21 . ILE   A 1 24  ? -5.797  -18.706 -41.872 1   48.884 ? 36  ILE   A HG21 1 c 1 
ATOM   356  H HG22 . ILE   A 1 24  ? -6.831  -17.714 -42.552 1   48.633 ? 36  ILE   A HG22 1 c 1 
ATOM   357  H HG23 . ILE   A 1 24  ? -7.334  -18.807 -41.522 1   47.375 ? 36  ILE   A HG23 1 c 1 
ATOM   358  H HD11 . ILE   A 1 24  ? -3.814  -17.626 -40.892 1   49.847 ? 36  ILE   A HD11 1 c 1 
ATOM   359  H HD12 . ILE   A 1 24  ? -3.382  -16.218 -41.496 1   50.232 ? 36  ILE   A HD12 1 c 1 
ATOM   360  H HD13 . ILE   A 1 24  ? -4.323  -17.184 -42.335 1   52.196 ? 36  ILE   A HD13 1 c 1 
ATOM   361  N N    . VAL   A 1 25  ? -9.681  -17.648 -40.923 1   43.878 ? 37  VAL   A N    1 ? 1 
ATOM   362  C CA   . VAL   A 1 25  ? -10.585 -18.772 -40.876 1   47.581 ? 37  VAL   A CA   1 ? 1 
ATOM   363  C C    . VAL   A 1 25  ? -9.809  -20.003 -41.357 1   49.231 ? 37  VAL   A C    1 ? 1 
ATOM   364  O O    . VAL   A 1 25  ? -9.379  -20.05  -42.531 1   52.644 ? 37  VAL   A O    1 ? 1 
ATOM   365  C CB   . VAL   A 1 25  ? -11.843 -18.489 -41.708 1   48.307 ? 37  VAL   A CB   1 ? 1 
ATOM   366  C CG1  . VAL   A 1 25  ? -12.746 -19.704 -41.734 1   49.673 ? 37  VAL   A CG1  1 ? 1 
ATOM   367  C CG2  . VAL   A 1 25  ? -12.591 -17.281 -41.127 1   46.971 ? 37  VAL   A CG2  1 ? 1 
ATOM   368  H H    . VAL   A 1 25  ? -9.73   -17.053 -41.615 1   45.277 ? 37  VAL   A H    1 c 1 
ATOM   369  H HA   . VAL   A 1 25  ? -10.856 -18.914 -39.948 1   45.501 ? 37  VAL   A HA   1 c 1 
ATOM   370  H HB   . VAL   A 1 25  ? -11.556 -18.28  -42.628 1   50.188 ? 37  VAL   A HB   1 c 1 
ATOM   371  H HG11 . VAL   A 1 25  ? -12.918 -20.001 -40.825 1   48.314 ? 37  VAL   A HG11 1 c 1 
ATOM   372  H HG12 . VAL   A 1 25  ? -12.317 -20.42  -42.233 1   51.515 ? 37  VAL   A HG12 1 c 1 
ATOM   373  H HG13 . VAL   A 1 25  ? -13.587 -19.473 -42.163 1   50.319 ? 37  VAL   A HG13 1 c 1 
ATOM   374  H HG21 . VAL   A 1 25  ? -13.413 -17.138 -41.626 1   47.8   ? 37  VAL   A HG21 1 c 1 
ATOM   375  H HG22 . VAL   A 1 25  ? -12.032 -16.489 -41.194 1   46.397 ? 37  VAL   A HG22 1 c 1 
ATOM   376  H HG23 . VAL   A 1 25  ? -12.804 -17.449 -40.194 1   45.291 ? 37  VAL   A HG23 1 c 1 
ATOM   377  N N    . LYS   A 1 26  ? -9.681  -20.998 -40.479 1   47.572 ? 38  LYS   A N    1 ? 1 
ATOM   378  C CA   . LYS   A 1 26  ? -8.962  -22.232 -40.784 1   51.33  ? 38  LYS   A CA   1 ? 1 
ATOM   379  C C    . LYS   A 1 26  ? -9.91   -23.297 -41.33  1   52.236 ? 38  LYS   A C    1 ? 1 
ATOM   380  O O    . LYS   A 1 26  ? -9.528  -24.121 -42.141 1   56.237 ? 38  LYS   A O    1 ? 1 
ATOM   381  C CB   . LYS   A 1 26  ? -8.279  -22.809 -39.54  1   49.052 ? 38  LYS   A CB   1 ? 1 
ATOM   382  C CG   . LYS   A 1 26  ? -7.141  -21.964 -39.008 1   49.216 ? 38  LYS   A CG   1 ? 1 
ATOM   383  C CD   . LYS   A 1 26  ? -6.134  -21.49  -40.061 1   52.489 ? 38  LYS   A CD   1 ? 1 
ATOM   384  C CE   . LYS   A 1 26  ? -5.539  -22.566 -40.87  1   54.326 ? 38  LYS   A CE   1 ? 1 
ATOM   385  N NZ   . LYS   A 1 26  ? -4.203  -22.198 -41.339 1   56.644 ? 38  LYS   A NZ   1 ? 1 
ATOM   386  H H    . LYS   A 1 26  ? -10.05  -20.905 -39.648 1   46.235 ? 38  LYS   A H    1 c 1 
ATOM   387  H HA   . LYS   A 1 26  ? -8.28   -22.039 -41.474 1   52.183 ? 38  LYS   A HA   1 c 1 
ATOM   388  H HB2  . LYS   A 1 26  ? -8.949  -22.913 -38.831 1   48.416 ? 38  LYS   A HB2  1 c 1 
ATOM   389  H HB3  . LYS   A 1 26  ? -7.93   -23.701 -39.755 1   51.272 ? 38  LYS   A HB3  1 c 1 
ATOM   390  H HG2  . LYS   A 1 26  ? -7.524  -21.177 -38.562 1   47.149 ? 38  LYS   A HG2  1 c 1 
ATOM   391  H HG3  . LYS   A 1 26  ? -6.662  -22.485 -38.326 1   48.981 ? 38  LYS   A HG3  1 c 1 
ATOM   392  H HD2  . LYS   A 1 26  ? -6.577  -20.851 -40.66  1   52.036 ? 38  LYS   A HD2  1 c 1 
ATOM   393  H HD3  . LYS   A 1 26  ? -5.413  -21.005 -39.603 1   50.765 ? 38  LYS   A HD3  1 c 1 
ATOM   394  H HE2  . LYS   A 1 26  ? -5.475  -23.378 -40.337 1   54.791 ? 38  LYS   A HE2  1 c 1 
ATOM   395  H HE3  . LYS   A 1 26  ? -6.105  -22.751 -41.641 1   56.17  ? 38  LYS   A HE3  1 c 1 
ATOM   396  H HZ1  . LYS   A 1 26  ? -3.641  -22.111 -40.634 1   55.314 ? 38  LYS   A HZ1  1 c 1 
ATOM   397  H HZ2  . LYS   A 1 26  ? -4.241  -21.412 -41.789 1   56.21  ? 38  LYS   A HZ2  1 c 1 
ATOM   398  H HZ3  . LYS   A 1 26  ? -3.886  -22.842 -41.893 1   58.794 ? 38  LYS   A HZ3  1 c 1 
ATOM   399  N N    . ARG   A 1 27  ? -11.121 -23.309 -40.792 1   51.47  ? 39  ARG   A N    1 ? 1 
ATOM   400  C CA   . ARG   A 1 27  ? -12.197 -24.142 -41.26  1   54.768 ? 39  ARG   A CA   1 ? 1 
ATOM   401  C C    . ARG   A 1 27  ? -13.462 -23.29  -41.28  1   51.661 ? 39  ARG   A C    1 ? 1 
ATOM   402  O O    . ARG   A 1 27  ? -13.823 -22.66  -40.267 1   49.084 ? 39  ARG   A O    1 ? 1 
ATOM   403  C CB   . ARG   A 1 27  ? -12.382 -25.338 -40.327 1   55.664 ? 39  ARG   A CB   1 ? 1 
ATOM   404  C CG   . ARG   A 1 27  ? -13.372 -26.353 -40.88  1   61.613 ? 39  ARG   A CG   1 ? 1 
ATOM   405  C CD   . ARG   A 1 27  ? -14.353 -26.839 -39.803 1   64.368 ? 39  ARG   A CD   1 ? 1 
ATOM   406  N NE   . ARG   A 1 27  ? -13.752 -27.821 -38.902 1   66.439 ? 39  ARG   A NE   1 ? 1 
ATOM   407  C CZ   . ARG   A 1 27  ? -14.257 -28.248 -37.747 1   61.619 ? 39  ARG   A CZ   1 ? 1 
ATOM   408  N NH1  . ARG   A 1 27  ? -15.163 -27.574 -37.052 1   56.143 ? 39  ARG   A NH1  1 ? 1 
ATOM   409  N NH2  . ARG   A 1 27  ? -13.759 -29.349 -37.263 1   62.836 ? 39  ARG   A NH2  1 ? 1 
ATOM   410  H H    . ARG   A 1 27  ? -11.281 -22.771 -40.07  1   49.837 ? 39  ARG   A H    1 c 1 
ATOM   411  H HA   . ARG   A 1 27  ? -11.991 -24.453 -42.177 1   56.675 ? 39  ARG   A HA   1 c 1 
ATOM   412  H HB2  . ARG   A 1 27  ? -11.515 -25.777 -40.193 1   56.361 ? 39  ARG   A HB2  1 c 1 
ATOM   413  H HB3  . ARG   A 1 27  ? -12.698 -25.019 -39.455 1   54.178 ? 39  ARG   A HB3  1 c 1 
ATOM   414  H HG2  . ARG   A 1 27  ? -13.881 -25.949 -41.617 1   62.293 ? 39  ARG   A HG2  1 c 1 
ATOM   415  H HG3  . ARG   A 1 27  ? -12.881 -27.124 -41.238 1   63.696 ? 39  ARG   A HG3  1 c 1 
ATOM   416  H HD2  . ARG   A 1 27  ? -14.661 -26.071 -39.283 1   61.475 ? 39  ARG   A HD2  1 c 1 
ATOM   417  H HD3  . ARG   A 1 27  ? -15.133 -27.239 -40.239 1   65.707 ? 39  ARG   A HD3  1 c 1 
ATOM   418  H HE   . ARG   A 1 27  ? -12.986 -28.158 -39.141 1   66.496 ? 39  ARG   A HE   1 c 1 
ATOM   419  H HH11 . ARG   A 1 27  ? -15.282 -26.71  -37.197 1   55.3   ? 39  ARG   A HH11 1 c 1 
ATOM   420  H HH12 . ARG   A 1 27  ? -15.647 -27.992 -36.44  1   57.18  ? 39  ARG   A HH12 1 c 1 
ATOM   421  H HH21 . ARG   A 1 27  ? -13.12  -29.781 -37.697 1   64.421 ? 39  ARG   A HH21 1 c 1 
ATOM   422  H HH22 . ARG   A 1 27  ? -14.062 -29.667 -36.495 1   62.871 ? 39  ARG   A HH22 1 c 1 
ATOM   423  N N    . VAL   A 1 28  ? -14.068 -23.2   -42.471 1   54.666 ? 40  VAL   A N    1 ? 1 
ATOM   424  C CA   . VAL   A 1 28  ? -15.287 -22.438 -42.687 1   51.967 ? 40  VAL   A CA   1 ? 1 
ATOM   425  C C    . VAL   A 1 28  ? -16.392 -23.17  -41.934 1   53.179 ? 40  VAL   A C    1 ? 1 
ATOM   426  O O    . VAL   A 1 28  ? -16.451 -24.381 -42.028 1   56.369 ? 40  VAL   A O    1 ? 1 
ATOM   427  C CB   . VAL   A 1 28  ? -15.57  -22.31  -44.208 1   56.143 ? 40  VAL   A CB   1 ? 1 
ATOM   428  C CG1  . VAL   A 1 28  ? -16.91  -21.663 -44.485 1   55.254 ? 40  VAL   A CG1  1 ? 1 
ATOM   429  C CG2  . VAL   A 1 28  ? -14.445 -21.583 -44.946 1   57.41  ? 40  VAL   A CG2  1 ? 1 
ATOM   430  H H    . VAL   A 1 28  ? -13.707 -23.649 -43.18  1   56.327 ? 40  VAL   A H    1 c 1 
ATOM   431  H HA   . VAL   A 1 28  ? -15.174 -21.546 -42.305 1   50.507 ? 40  VAL   A HA   1 c 1 
ATOM   432  H HB   . VAL   A 1 28  ? -15.609 -23.227 -44.568 1   58.137 ? 40  VAL   A HB   1 c 1 
ATOM   433  H HG11 . VAL   A 1 28  ? -16.975 -20.825 -43.998 1   53.376 ? 40  VAL   A HG11 1 c 1 
ATOM   434  H HG12 . VAL   A 1 28  ? -17.624 -22.258 -44.202 1   56.03  ? 40  VAL   A HG12 1 c 1 
ATOM   435  H HG13 . VAL   A 1 28  ? -16.995 -21.49  -45.439 1   57.743 ? 40  VAL   A HG13 1 c 1 
ATOM   436  H HG21 . VAL   A 1 28  ? -14.67  -21.511 -45.889 1   59.473 ? 40  VAL   A HG21 1 c 1 
ATOM   437  H HG22 . VAL   A 1 28  ? -13.616 -22.081 -44.85  1   57.578 ? 40  VAL   A HG22 1 c 1 
ATOM   438  H HG23 . VAL   A 1 28  ? -14.333 -20.693 -44.573 1   55.248 ? 40  VAL   A HG23 1 c 1 
ATOM   439  N N    . GLY   A 1 29  ? -17.219 -22.448 -41.16  1   49.994 ? 41  GLY   A N    1 ? 1 
ATOM   440  C CA   . GLY   A 1 29  ? -18.354 -23.038 -40.455 1   53.421 ? 41  GLY   A CA   1 ? 1 
ATOM   441  C C    . GLY   A 1 29  ? -19.641 -22.967 -41.282 1   57.358 ? 41  GLY   A C    1 ? 1 
ATOM   442  O O    . GLY   A 1 29  ? -19.567 -22.939 -42.517 1   58.836 ? 41  GLY   A O    1 ? 1 
ATOM   443  H H    . GLY   A 1 29  ? -17.069 -21.551 -41.068 1   49.347 ? 41  GLY   A H    1 c 1 
ATOM   444  H HA2  . GLY   A 1 29  ? -18.151 -23.979 -40.243 1   54     ? 41  GLY   A HA2  1 c 1 
ATOM   445  H HA3  . GLY   A 1 29  ? -18.485 -22.558 -39.604 1   51.115 ? 41  GLY   A HA3  1 c 1 
ATOM   446  N N    . ASN   A 1 30  ? -20.806 -22.915 -40.603 1   58.319 ? 42  ASN   A N    1 ? 1 
ATOM   447  C CA   . ASN   A 1 30  ? -22.088 -23.126 -41.262 1   63.48  ? 42  ASN   A CA   1 ? 1 
ATOM   448  C C    . ASN   A 1 30  ? -23.131 -22.12  -40.778 1   62.705 ? 42  ASN   A C    1 ? 1 
ATOM   449  O O    . ASN   A 1 30  ? -23.161 -21.729 -39.621 1   63.054 ? 42  ASN   A O    1 ? 1 
ATOM   450  C CB   . ASN   A 1 30  ? -22.611 -24.544 -41.064 1   68.117 ? 42  ASN   A CB   1 ? 1 
ATOM   451  C CG   . ASN   A 1 30  ? -21.481 -25.541 -41.117 1   72.481 ? 42  ASN   A CG   1 ? 1 
ATOM   452  O OD1  . ASN   A 1 30  ? -20.579 -25.479 -40.27  1   74.016 ? 42  ASN   A OD1  1 ? 1 
ATOM   453  N ND2  . ASN   A 1 30  ? -21.479 -26.415 -42.113 1   76.4   ? 42  ASN   A ND2  1 ? 1 
ATOM   454  H H    . ASN   A 1 30  ? -20.795 -22.743 -39.706 1   56.732 ? 42  ASN   A H    1 c 1 
ATOM   455  H HA   . ASN   A 1 30  ? -21.961 -22.994 -42.228 1   65.026 ? 42  ASN   A HA   1 c 1 
ATOM   456  H HB2  . ASN   A 1 30  ? -23.06  -24.609 -40.198 1   67.359 ? 42  ASN   A HB2  1 c 1 
ATOM   457  H HB3  . ASN   A 1 30  ? -23.263 -24.751 -41.763 1   70.369 ? 42  ASN   A HB3  1 c 1 
ATOM   458  H HD21 . ASN   A 1 30  ? -20.855 -27.044 -42.145 1   77.282 ? 42  ASN   A HD21 1 c 1 
ATOM   459  H HD22 . ASN   A 1 30  ? -22.097 -26.373 -42.748 1   78.04  ? 42  ASN   A HD22 1 c 1 
ATOM   460  N N    . GLY   A 1 31  ? -24.054 -21.808 -41.687 1   63.679 ? 43  GLY   A N    1 ? 1 
ATOM   461  C CA   . GLY   A 1 31  ? -25.126 -20.861 -41.436 1   62.371 ? 43  GLY   A CA   1 ? 1 
ATOM   462  C C    . GLY   A 1 31  ? -24.592 -19.439 -41.506 1   59.697 ? 43  GLY   A C    1 ? 1 
ATOM   463  O O    . GLY   A 1 31  ? -23.39  -19.226 -41.602 1   63.317 ? 43  GLY   A O    1 ? 1 
ATOM   464  H H    . GLY   A 1 31  ? -24.017 -22.211 -42.507 1   65.801 ? 43  GLY   A H    1 c 1 
ATOM   465  H HA2  . GLY   A 1 31  ? -25.837 -20.985 -42.108 1   64.646 ? 43  GLY   A HA2  1 c 1 
ATOM   466  H HA3  . GLY   A 1 31  ? -25.513 -21.03  -40.544 1   61.62  ? 43  GLY   A HA3  1 c 1 
ATOM   467  N N    . GLU   A 1 32  ? -25.481 -18.476 -41.346 1   59.241 ? 44  GLU   A N    1 ? 1 
ATOM   468  C CA   . GLU   A 1 32  ? -25.127 -17.074 -41.522 1   60.256 ? 44  GLU   A CA   1 ? 1 
ATOM   469  C C    . GLU   A 1 32  ? -24.918 -16.41  -40.155 1   56.795 ? 44  GLU   A C    1 ? 1 
ATOM   470  O O    . GLU   A 1 32  ? -24.189 -15.428 -40.02  1   59.289 ? 44  GLU   A O    1 ? 1 
ATOM   471  C CB   . GLU   A 1 32  ? -26.205 -16.448 -42.408 1   63.92  ? 44  GLU   A CB   1 ? 1 
ATOM   472  H H    . GLU   A 1 32  ? -26.342 -18.692 -41.128 1   60.739 ? 44  GLU   A H    1 c 1 
ATOM   473  H HA   . GLU   A 1 32  ? -24.269 -17.03  -42.017 1   59.713 ? 44  GLU   A HA   1 c 1 
ATOM   474  H HB2  . GLU   A 1 32  ? -25.602 -15.987 -43.22  0   20     ? 44  GLU   A HB2  1 c 1 
ATOM   475  H HB3  . GLU   A 1 32  ? -26.99  -16.643 -42.175 0   20     ? 44  GLU   A HB3  1 c 1 
ATOM   476  N N    . GLU   A 1 33  ? -25.58  -16.943 -39.126 1   54.812 ? 45  GLU   A N    1 ? 1 
ATOM   477  C CA   . GLU   A 1 33  ? -25.629 -16.288 -37.822 1   52.707 ? 45  GLU   A CA   1 ? 1 
ATOM   478  C C    . GLU   A 1 33  ? -24.248 -16.259 -37.164 1   48.821 ? 45  GLU   A C    1 ? 1 
ATOM   479  O O    . GLU   A 1 33  ? -23.54  -17.268 -37.113 1   50.755 ? 45  GLU   A O    1 ? 1 
ATOM   480  C CB   . GLU   A 1 33  ? -26.618 -17.034 -36.915 1   54.383 ? 45  GLU   A CB   1 ? 1 
ATOM   481  H H    . GLU   A 1 33  ? -26.013 -17.741 -39.233 1   56.325 ? 45  GLU   A H    1 c 1 
ATOM   482  H HA   . GLU   A 1 33  ? -25.946 -15.358 -37.952 1   52.626 ? 45  GLU   A HA   1 c 1 
ATOM   483  H HB2  . GLU   A 1 33  ? -26.148 -17.566 -36.308 0   20     ? 45  GLU   A HB2  1 c 1 
ATOM   484  H HB3  . GLU   A 1 33  ? -27.54  -16.771 -37.245 0   20     ? 45  GLU   A HB3  1 c 1 
ATOM   485  N N    . THR   A 1 34  ? -23.87  -15.092 -36.649 1   43.793 ? 46  THR   A N    1 ? 1 
ATOM   486  C CA   . THR   A 1 34  ? -22.73  -14.977 -35.736 1   40.023 ? 46  THR   A CA   1 ? 1 
ATOM   487  C C    . THR   A 1 34  ? -23.296 -14.487 -34.41  1   41.375 ? 46  THR   A C    1 ? 1 
ATOM   488  O O    . THR   A 1 34  ? -24.341 -13.858 -34.409 1   46.048 ? 46  THR   A O    1 ? 1 
ATOM   489  C CB   . THR   A 1 34  ? -21.669 -14.025 -36.285 1   39.718 ? 46  THR   A CB   1 ? 1 
ATOM   490  O OG1  . THR   A 1 34  ? -22.282 -12.723 -36.356 1   38.816 ? 46  THR   A OG1  1 ? 1 
ATOM   491  C CG2  . THR   A 1 34  ? -21.161 -14.528 -37.636 1   42.225 ? 46  THR   A CG2  1 ? 1 
ATOM   492  H H    . THR   A 1 34  ? -24.329 -14.335 -36.872 1   44.481 ? 46  THR   A H    1 c 1 
ATOM   493  H HA   . THR   A 1 34  ? -22.329 -15.864 -35.609 1   40.502 ? 46  THR   A HA   1 c 1 
ATOM   494  H HB   . THR   A 1 34  ? -20.909 -13.991 -35.657 1   38.042 ? 46  THR   A HB   1 c 1 
ATOM   495  H HG1  . THR   A 1 34  ? -22.946 -12.756 -36.899 0   20     ? 46  THR   A HG1  1 c 1 
ATOM   496  H HG21 . THR   A 1 34  ? -20.433 -13.96  -37.941 1   41.578 ? 46  THR   A HG21 1 c 1 
ATOM   497  H HG22 . THR   A 1 34  ? -21.883 -14.503 -38.286 1   43.585 ? 46  THR   A HG22 1 c 1 
ATOM   498  H HG23 . THR   A 1 34  ? -20.84  -15.441 -37.544 1   41.911 ? 46  THR   A HG23 1 c 1 
ATOM   499  N N    . PRO   A 1 35  ? -22.669 -14.76  -33.253 1   40.944 ? 47  PRO   A N    1 ? 1 
ATOM   500  C CA   . PRO   A 1 35  ? -23.303 -14.464 -31.97  1   38.32  ? 47  PRO   A CA   1 ? 1 
ATOM   501  C C    . PRO   A 1 35  ? -23.409 -12.991 -31.6   1   37.375 ? 47  PRO   A C    1 ? 1 
ATOM   502  O O    . PRO   A 1 35  ? -22.577 -12.18  -31.986 1   36.718 ? 47  PRO   A O    1 ? 1 
ATOM   503  C CB   . PRO   A 1 35  ? -22.448 -15.241 -30.963 1   38.109 ? 47  PRO   A CB   1 ? 1 
ATOM   504  C CG   . PRO   A 1 35  ? -21.111 -15.409 -31.658 1   38.333 ? 47  PRO   A CG   1 ? 1 
ATOM   505  C CD   . PRO   A 1 35  ? -21.435 -15.556 -33.1   1   40.336 ? 47  PRO   A CD   1 ? 1 
ATOM   506  H HA   . PRO   A 1 35  ? -24.203 -14.853 -31.973 1   40.092 ? 47  PRO   A HA   1 c 1 
ATOM   507  H HB2  . PRO   A 1 35  ? -22.349 -14.742 -30.13  1   37.465 ? 47  PRO   A HB2  1 c 1 
ATOM   508  H HB3  . PRO   A 1 35  ? -22.847 -16.109 -30.763 1   38.792 ? 47  PRO   A HB3  1 c 1 
ATOM   509  H HG2  . PRO   A 1 35  ? -20.543 -14.626 -31.512 1   37.385 ? 47  PRO   A HG2  1 c 1 
ATOM   510  H HG3  . PRO   A 1 35  ? -20.645 -16.203 -31.329 1   37.849 ? 47  PRO   A HG3  1 c 1 
ATOM   511  H HD2  . PRO   A 1 35  ? -20.721 -15.198 -33.662 1   39.657 ? 47  PRO   A HD2  1 c 1 
ATOM   512  H HD3  . PRO   A 1 35  ? -21.594 -16.49  -33.336 1   40.853 ? 47  PRO   A HD3  1 c 1 
ATOM   513  N N    . MET   A 1 36  ? -24.439 -12.696 -30.802 1   37.307 ? 48  MET   A N    1 ? 1 
ATOM   514  C CA   . MET   A 1 36  ? -24.788 -11.36  -30.35  1   37.651 ? 48  MET   A CA   1 ? 1 
ATOM   515  C C    . MET   A 1 36  ? -24.304 -11.182 -28.924 1   35.385 ? 48  MET   A C    1 ? 1 
ATOM   516  O O    . MET   A 1 36  ? -24.144 -12.174 -28.204 1   35.919 ? 48  MET   A O    1 ? 1 
ATOM   517  C CB   . MET   A 1 36  ? -26.307 -11.155 -30.286 1   41.046 ? 48  MET   A CB   1 ? 1 
ATOM   518  C CG   . MET   A 1 36  ? -27.039 -11.241 -31.598 1   44.027 ? 48  MET   A CG   1 ? 1 
ATOM   519  S SD   . MET   A 1 36  ? -26.575 -9.808  -32.586 1   43.935 ? 48  MET   A SD   1 ? 1 
ATOM   520  C CE   . MET   A 1 36  ? -27.678 -10.274 -33.924 1   45.751 ? 48  MET   A CE   1 ? 1 
ATOM   521  H H    . MET   A 1 36  ? -24.969 -13.386 -30.522 1   38.307 ? 48  MET   A H    1 c 1 
ATOM   522  H HA   . MET   A 1 36  ? -24.367 -10.686 -30.941 1   37.447 ? 48  MET   A HA   1 c 1 
ATOM   523  H HB2  . MET   A 1 36  ? -26.681 -11.827 -29.677 1   41.408 ? 48  MET   A HB2  1 c 1 
ATOM   524  H HB3  . MET   A 1 36  ? -26.481 -10.274 -29.891 1   41.386 ? 48  MET   A HB3  1 c 1 
ATOM   525  H HG2  . MET   A 1 36  ? -26.793 -12.061 -32.07  1   43.531 ? 48  MET   A HG2  1 c 1 
ATOM   526  H HG3  . MET   A 1 36  ? -28.005 -11.239 -31.447 1   45.234 ? 48  MET   A HG3  1 c 1 
ATOM   527  H HE1  . MET   A 1 36  ? -27.634 -9.602  -34.629 1   46.726 ? 48  MET   A HE1  1 c 1 
ATOM   528  H HE2  . MET   A 1 36  ? -27.406 -11.139 -34.281 1   45.382 ? 48  MET   A HE2  1 c 1 
ATOM   529  H HE3  . MET   A 1 36  ? -28.591 -10.332 -33.586 1   47.073 ? 48  MET   A HE3  1 c 1 
ATOM   530  N N    . ILE   A 1 37  ? -24.06  -9.926  -28.539 1   35.494 ? 49  ILE   A N    1 ? 1 
ATOM   531  C CA   . ILE   A 1 37  ? -23.708 -9.608  -27.164 1   34.478 ? 49  ILE   A CA   1 ? 1 
ATOM   532  C C    . ILE   A 1 37  ? -24.781 -10.16  -26.224 1   35.243 ? 49  ILE   A C    1 ? 1 
ATOM   533  O O    . ILE   A 1 37  ? -25.961 -9.977  -26.429 1   36.797 ? 49  ILE   A O    1 ? 1 
ATOM   534  C CB   . ILE   A 1 37  ? -23.453 -8.111  -26.953 1   35.771 ? 49  ILE   A CB   1 ? 1 
ATOM   535  C CG1  . ILE   A 1 37  ? -22.203 -7.651  -27.706 1   35.119 ? 49  ILE   A CG1  1 ? 1 
ATOM   536  C CG2  . ILE   A 1 37  ? -23.335 -7.772  -25.472 1   34.376 ? 49  ILE   A CG2  1 ? 1 
ATOM   537  C CD1  . ILE   A 1 37  ? -22.065 -6.147  -27.724 1   39.323 ? 49  ILE   A CD1  1 ? 1 
ATOM   538  H H    . ILE   A 1 37  ? -24.119 -9.247  -29.149 1   36.015 ? 49  ILE   A H    1 c 1 
ATOM   539  H HA   . ILE   A 1 37  ? -22.873 -10.074 -26.966 1   33.351 ? 49  ILE   A HA   1 c 1 
ATOM   540  H HB   . ILE   A 1 37  ? -24.218 -7.622  -27.316 1   36.807 ? 49  ILE   A HB   1 c 1 
ATOM   541  H HG12 . ILE   A 1 37  ? -21.412 -8.04   -27.282 1   34.116 ? 49  ILE   A HG12 1 c 1 
ATOM   542  H HG13 . ILE   A 1 37  ? -22.245 -7.978  -28.628 1   35.375 ? 49  ILE   A HG13 1 c 1 
ATOM   543  H HG21 . ILE   A 1 37  ? -23.153 -6.824  -25.366 1   35.096 ? 49  ILE   A HG21 1 c 1 
ATOM   544  H HG22 . ILE   A 1 37  ? -22.609 -8.285  -25.078 1   33.55  ? 49  ILE   A HG22 1 c 1 
ATOM   545  H HG23 . ILE   A 1 37  ? -24.165 -7.989  -25.018 1   35.881 ? 49  ILE   A HG23 1 c 1 
ATOM   546  H HD11 . ILE   A 1 37  ? -22.918 -5.75   -27.983 1   40.055 ? 49  ILE   A HD11 1 c 1 
ATOM   547  H HD12 . ILE   A 1 37  ? -21.38  -5.897  -28.372 1   37.848 ? 49  ILE   A HD12 1 c 1 
ATOM   548  H HD13 . ILE   A 1 37  ? -21.81  -5.821  -26.84  1   38.357 ? 49  ILE   A HD13 1 c 1 
ATOM   549  N N    . GLY   A 1 38  ? -24.323 -10.876 -25.195 1   33.768 ? 50  GLY   A N    1 ? 1 
ATOM   550  C CA   . GLY   A 1 38  ? -25.203 -11.543 -24.249 1   37.014 ? 50  GLY   A CA   1 ? 1 
ATOM   551  C C    . GLY   A 1 38  ? -25.366 -13.037 -24.538 1   36.604 ? 50  GLY   A C    1 ? 1 
ATOM   552  O O    . GLY   A 1 38  ? -25.822 -13.795 -23.678 1   38.1   ? 50  GLY   A O    1 ? 1 
ATOM   553  H H    . GLY   A 1 38  ? -23.42  -10.952 -25.074 1   32.993 ? 50  GLY   A H    1 c 1 
ATOM   554  H HA2  . GLY   A 1 38  ? -24.837 -11.428 -23.34  1   36.487 ? 50  GLY   A HA2  1 c 1 
ATOM   555  H HA3  . GLY   A 1 38  ? -26.088 -11.109 -24.27  1   38.169 ? 50  GLY   A HA3  1 c 1 
ATOM   556  N N    . ASP   A 1 39  ? -25.08  -13.483 -25.765 1   37.348 ? 51  ASP   A N    1 ? 1 
ATOM   557  C CA   . ASP   A 1 39  ? -25.272 -14.903 -26.081 1   37.355 ? 51  ASP   A CA   1 ? 1 
ATOM   558  C C    . ASP   A 1 39  ? -24.301 -15.76  -25.263 1   35.815 ? 51  ASP   A C    1 ? 1 
ATOM   559  O O    . ASP   A 1 39  ? -23.173 -15.324 -24.971 1   35.109 ? 51  ASP   A O    1 ? 1 
ATOM   560  C CB   . ASP   A 1 39  ? -25.016 -15.207 -27.546 1   37.365 ? 51  ASP   A CB   1 ? 1 
ATOM   561  C CG   . ASP   A 1 39  ? -26.089 -14.752 -28.517 1   40.133 ? 51  ASP   A CG   1 ? 1 
ATOM   562  O OD1  . ASP   A 1 39  ? -27.135 -14.265 -28.057 1   40.708 ? 51  ASP   A OD1  1 ? 1 
ATOM   563  O OD2  . ASP   A 1 39  ? -25.861 -14.892 -29.75  1   42.941 ? 51  ASP   A OD2  1 ? 1 
ATOM   564  H H    . ASP   A 1 39  ? -24.766 -12.917 -26.41  1   36.184 ? 51  ASP   A H    1 c 1 
ATOM   565  H HA   . ASP   A 1 39  ? -26.196 -15.154 -25.854 1   38.917 ? 51  ASP   A HA   1 c 1 
ATOM   566  H HB2  . ASP   A 1 39  ? -24.171 -14.787 -27.809 1   36.094 ? 51  ASP   A HB2  1 c 1 
ATOM   567  H HB3  . ASP   A 1 39  ? -24.913 -16.176 -27.652 1   37.63  ? 51  ASP   A HB3  1 c 1 
ATOM   568  N N    . LYS   A 1 40  ? -24.773 -16.951 -24.861 1   38.297 ? 52  LYS   A N    1 ? 1 
ATOM   569  C CA   . LYS   A 1 40  ? -23.916 -17.97  -24.263 1   38.101 ? 52  LYS   A CA   1 ? 1 
ATOM   570  C C    . LYS   A 1 40  ? -23.155 -18.706 -25.354 1   37.74  ? 52  LYS   A C    1 ? 1 
ATOM   571  O O    . LYS   A 1 40  ? -23.756 -19.336 -26.225 1   40.503 ? 52  LYS   A O    1 ? 1 
ATOM   572  C CB   . LYS   A 1 40  ? -24.776 -18.918 -23.422 1   41.74  ? 52  LYS   A CB   1 ? 1 
ATOM   573  C CG   . LYS   A 1 40  ? -24.008 -19.947 -22.644 1   44.028 ? 52  LYS   A CG   1 ? 1 
ATOM   574  C CD   . LYS   A 1 40  ? -24.89  -20.893 -21.825 1   50.046 ? 52  LYS   A CD   1 ? 1 
ATOM   575  C CE   . LYS   A 1 40  ? -24.776 -20.705 -20.337 1   54.381 ? 52  LYS   A CE   1 ? 1 
ATOM   576  N NZ   . LYS   A 1 40  ? -25.129 -19.338 -19.919 1   56.42  ? 52  LYS   A NZ   1 ? 1 
ATOM   577  H H    . LYS   A 1 40  ? -25.663 -17.134 -24.964 1   39.541 ? 52  LYS   A H    1 c 1 
ATOM   578  H HA   . LYS   A 1 40  ? -23.266 -17.52  -23.665 1   37.363 ? 52  LYS   A HA   1 c 1 
ATOM   579  H HB2  . LYS   A 1 40  ? -25.306 -18.384 -22.792 1   42.534 ? 52  LYS   A HB2  1 c 1 
ATOM   580  H HB3  . LYS   A 1 40  ? -25.403 -19.383 -24.017 1   42.813 ? 52  LYS   A HB3  1 c 1 
ATOM   581  H HG2  . LYS   A 1 40  ? -23.472 -20.478 -23.272 1   43.351 ? 52  LYS   A HG2  1 c 1 
ATOM   582  H HG3  . LYS   A 1 40  ? -23.388 -19.483 -22.04  1   43.162 ? 52  LYS   A HG3  1 c 1 
ATOM   583  H HD2  . LYS   A 1 40  ? -25.826 -20.764 -22.091 1   50.959 ? 52  LYS   A HD2  1 c 1 
ATOM   584  H HD3  . LYS   A 1 40  ? -24.644 -21.815 -22.044 1   50.318 ? 52  LYS   A HD3  1 c 1 
ATOM   585  H HE2  . LYS   A 1 40  ? -25.367 -21.335 -19.886 1   55.973 ? 52  LYS   A HE2  1 c 1 
ATOM   586  H HE3  . LYS   A 1 40  ? -23.863 -20.895 -20.057 1   53.088 ? 52  LYS   A HE3  1 c 1 
ATOM   587  H HZ1  . LYS   A 1 40  ? -25.893 -19.077 -20.331 1   56.377 ? 52  LYS   A HZ1  1 c 1 
ATOM   588  H HZ2  . LYS   A 1 40  ? -24.463 -18.763 -20.134 1   53.961 ? 52  LYS   A HZ2  1 c 1 
ATOM   589  H HZ3  . LYS   A 1 40  ? -25.255 -19.319 -19.021 1   56.946 ? 52  LYS   A HZ3  1 c 1 
ATOM   590  N N    . VAL   A 1 41  ? -21.83  -18.668 -25.29  1   36.808 ? 53  VAL   A N    1 ? 1 
ATOM   591  C CA   . VAL   A 1 41  ? -20.974 -19.224 -26.324 1   37.172 ? 53  VAL   A CA   1 ? 1 
ATOM   592  C C    . VAL   A 1 41  ? -20.199 -20.414 -25.76  1   37.537 ? 53  VAL   A C    1 ? 1 
ATOM   593  O O    . VAL   A 1 41  ? -19.747 -20.368 -24.6   1   37.463 ? 53  VAL   A O    1 ? 1 
ATOM   594  C CB   . VAL   A 1 41  ? -20.042 -18.102 -26.83  1   36.489 ? 53  VAL   A CB   1 ? 1 
ATOM   595  C CG1  . VAL   A 1 41  ? -19.004 -18.627 -27.803 1   38.164 ? 53  VAL   A CG1  1 ? 1 
ATOM   596  C CG2  . VAL   A 1 41  ? -20.823 -16.956 -27.475 1   37.175 ? 53  VAL   A CG2  1 ? 1 
ATOM   597  H H    . VAL   A 1 41  ? -21.434 -18.278 -24.564 1   36.237 ? 53  VAL   A H    1 c 1 
ATOM   598  H HA   . VAL   A 1 41  ? -21.53  -19.528 -27.067 1   37.968 ? 53  VAL   A HA   1 c 1 
ATOM   599  H HB   . VAL   A 1 41  ? -19.567 -17.741 -26.044 1   35.99  ? 53  VAL   A HB   1 c 1 
ATOM   600  H HG11 . VAL   A 1 41  ? -19.448 -19.115 -28.516 1   38.579 ? 53  VAL   A HG11 1 c 1 
ATOM   601  H HG12 . VAL   A 1 41  ? -18.39  -19.218 -27.339 1   37.54  ? 53  VAL   A HG12 1 c 1 
ATOM   602  H HG13 . VAL   A 1 41  ? -18.511 -17.883 -28.181 1   36.655 ? 53  VAL   A HG13 1 c 1 
ATOM   603  H HG21 . VAL   A 1 41  ? -20.202 -16.289 -27.813 1   35.962 ? 53  VAL   A HG21 1 c 1 
ATOM   604  H HG22 . VAL   A 1 41  ? -21.407 -16.547 -26.814 1   37.418 ? 53  VAL   A HG22 1 c 1 
ATOM   605  H HG23 . VAL   A 1 41  ? -21.358 -17.301 -28.21  1   37.905 ? 53  VAL   A HG23 1 c 1 
ATOM   606  N N    . TYR   A 1 42  ? -20.081 -21.455 -26.607 1   36.929 ? 54  TYR   A N    1 ? 1 
ATOM   607  C CA   . TYR   A 1 42  ? -19.331 -22.651 -26.307 1   39.216 ? 54  TYR   A CA   1 ? 1 
ATOM   608  C C    . TYR   A 1 42  ? -18.231 -22.852 -27.336 1   38.268 ? 54  TYR   A C    1 ? 1 
ATOM   609  O O    . TYR   A 1 42  ? -18.523 -22.904 -28.542 1   42.746 ? 54  TYR   A O    1 ? 1 
ATOM   610  C CB   . TYR   A 1 42  ? -20.253 -23.873 -26.373 1   43.002 ? 54  TYR   A CB   1 ? 1 
ATOM   611  C CG   . TYR   A 1 42  ? -21.461 -23.846 -25.462 1   46.032 ? 54  TYR   A CG   1 ? 1 
ATOM   612  C CD1  . TYR   A 1 42  ? -22.562 -23.049 -25.765 1   45.251 ? 54  TYR   A CD1  1 ? 1 
ATOM   613  C CD2  . TYR   A 1 42  ? -21.52  -24.657 -24.332 1   48.153 ? 54  TYR   A CD2  1 ? 1 
ATOM   614  C CE1  . TYR   A 1 42  ? -23.691 -23.051 -24.961 1   48.349 ? 54  TYR   A CE1  1 ? 1 
ATOM   615  C CE2  . TYR   A 1 42  ? -22.647 -24.67  -23.525 1   51.296 ? 54  TYR   A CE2  1 ? 1 
ATOM   616  C CZ   . TYR   A 1 42  ? -23.739 -23.883 -23.85  1   51.179 ? 54  TYR   A CZ   1 ? 1 
ATOM   617  O OH   . TYR   A 1 42  ? -24.855 -23.902 -23.058 1   54.491 ? 54  TYR   A OH   1 ? 1 
ATOM   618  H H    . TYR   A 1 42  ? -20.498 -21.405 -27.419 1   37.685 ? 54  TYR   A H    1 c 1 
ATOM   619  H HA   . TYR   A 1 42  ? -18.936 -22.581 -25.398 1   38.765 ? 54  TYR   A HA   1 c 1 
ATOM   620  H HB2  . TYR   A 1 42  ? -20.565 -23.972 -27.3   1   43.58  ? 54  TYR   A HB2  1 c 1 
ATOM   621  H HB3  . TYR   A 1 42  ? -19.719 -24.671 -26.16  1   43.544 ? 54  TYR   A HB3  1 c 1 
ATOM   622  H HD1  . TYR   A 1 42  ? -22.544 -22.504 -26.535 1   44.511 ? 54  TYR   A HD1  1 c 1 
ATOM   623  H HD2  . TYR   A 1 42  ? -20.79  -25.217 -24.12  1   48.407 ? 54  TYR   A HD2  1 c 1 
ATOM   624  H HE1  . TYR   A 1 42  ? -24.433 -22.516 -25.183 1   48.204 ? 54  TYR   A HE1  1 c 1 
ATOM   625  H HE2  . TYR   A 1 42  ? -22.679 -25.229 -22.768 1   52.442 ? 54  TYR   A HE2  1 c 1 
ATOM   626  H HH   . TYR   A 1 42  ? -25.433 -23.313 -23.36  0   20     ? 54  TYR   A HH   1 c 1 
ATOM   627  N N    . VAL   A 1 43  ? -16.994 -22.997 -26.857 1   37.29  ? 55  VAL   A N    1 ? 1 
ATOM   628  C CA   . VAL   A 1 43  ? -15.851 -23.14  -27.731 1   37.416 ? 55  VAL   A CA   1 ? 1 
ATOM   629  C C    . VAL   A 1 43  ? -14.935 -24.259 -27.228 1   37.103 ? 55  VAL   A C    1 ? 1 
ATOM   630  O O    . VAL   A 1 43  ? -14.946 -24.601 -26.06  1   36.045 ? 55  VAL   A O    1 ? 1 
ATOM   631  C CB   . VAL   A 1 43  ? -15.053 -21.832 -27.839 1   35.696 ? 55  VAL   A CB   1 ? 1 
ATOM   632  C CG1  . VAL   A 1 43  ? -15.899 -20.658 -28.282 1   36.995 ? 55  VAL   A CG1  1 ? 1 
ATOM   633  C CG2  . VAL   A 1 43  ? -14.33  -21.488 -26.555 1   34.41  ? 55  VAL   A CG2  1 ? 1 
ATOM   634  H H    . VAL   A 1 43  ? -16.859 -23.006 -25.953 1   37.332 ? 55  VAL   A H    1 c 1 
ATOM   635  H HA   . VAL   A 1 43  ? -16.172 -23.381 -28.619 1   37.894 ? 55  VAL   A HA   1 c 1 
ATOM   636  H HB   . VAL   A 1 43  ? -14.365 -21.973 -28.531 1   35.866 ? 55  VAL   A HB   1 c 1 
ATOM   637  H HG11 . VAL   A 1 43  ? -16.568 -20.466 -27.605 1   36.574 ? 55  VAL   A HG11 1 c 1 
ATOM   638  H HG12 . VAL   A 1 43  ? -16.34  -20.873 -29.121 1   37.266 ? 55  VAL   A HG12 1 c 1 
ATOM   639  H HG13 . VAL   A 1 43  ? -15.333 -19.877 -28.406 1   35.332 ? 55  VAL   A HG13 1 c 1 
ATOM   640  H HG21 . VAL   A 1 43  ? -13.896 -20.625 -26.651 1   33.233 ? 55  VAL   A HG21 1 c 1 
ATOM   641  H HG22 . VAL   A 1 43  ? -13.659 -22.165 -26.365 1   34.916 ? 55  VAL   A HG22 1 c 1 
ATOM   642  H HG23 . VAL   A 1 43  ? -14.967 -21.449 -25.823 1   34.821 ? 55  VAL   A HG23 1 c 1 
ATOM   643  N N    . HIS   A 1 44  ? -14.102 -24.788 -28.142 1   38.534 ? 56  HIS   A N    1 ? 1 
ATOM   644  C CA   . HIS   A 1 44  ? -12.839 -25.376 -27.75  1   38.41  ? 56  HIS   A CA   1 ? 1 
ATOM   645  C C    . HIS   A 1 44  ? -11.73  -24.431 -28.167 1   36.286 ? 56  HIS   A C    1 ? 1 
ATOM   646  O O    . HIS   A 1 44  ? -11.901 -23.721 -29.136 1   37.549 ? 56  HIS   A O    1 ? 1 
ATOM   647  C CB   . HIS   A 1 44  ? -12.672 -26.794 -28.319 1   41.332 ? 56  HIS   A CB   1 ? 1 
ATOM   648  C CG   . HIS   A 1 44  ? -13.186 -27.818 -27.37  1   46.466 ? 56  HIS   A CG   1 ? 1 
ATOM   649  N ND1  . HIS   A 1 44  ? -12.665 -27.952 -26.097 1   47.818 ? 56  HIS   A ND1  1 ? 1 
ATOM   650  C CD2  . HIS   A 1 44  ? -14.203 -28.69  -27.467 1   49.544 ? 56  HIS   A CD2  1 ? 1 
ATOM   651  C CE1  . HIS   A 1 44  ? -13.339 -28.922 -25.482 1   52.154 ? 56  HIS   A CE1  1 ? 1 
ATOM   652  N NE2  . HIS   A 1 44  ? -14.269 -29.381 -26.304 1   52.654 ? 56  HIS   A NE2  1 ? 1 
ATOM   653  H H    . HIS   A 1 44  ? -14.333 -24.778 -29.026 1   38.41  ? 56  HIS   A H    1 c 1 
ATOM   654  H HA   . HIS   A 1 44  ? -12.828 -25.435 -26.764 1   38.583 ? 56  HIS   A HA   1 c 1 
ATOM   655  H HB2  . HIS   A 1 44  ? -13.165 -26.859 -29.165 1   42.226 ? 56  HIS   A HB2  1 c 1 
ATOM   656  H HB3  . HIS   A 1 44  ? -11.72  -26.961 -28.491 1   41.973 ? 56  HIS   A HB3  1 c 1 
ATOM   657  H HD1  . HIS   A 1 44  ? -11.998 -27.468 -25.778 0   20     ? 56  HIS   A HD1  1 c 1 
ATOM   658  H HD2  . HIS   A 1 44  ? -14.75  -28.831 -28.215 1   50.429 ? 56  HIS   A HD2  1 c 1 
ATOM   659  H HE1  . HIS   A 1 44  ? -13.174 -29.23  -24.609 1   52.208 ? 56  HIS   A HE1  1 c 1 
ATOM   660  H HE2  . HIS   A 1 44  ? -14.813 -30.023 -26.116 0   20     ? 56  HIS   A HE2  1 c 1 
ATOM   661  N N    . TYR   A 1 45  ? -10.603 -24.435 -27.436 1   34.782 ? 57  TYR   A N    1 ? 1 
ATOM   662  C CA   . TYR   A 1 45  ? -9.514  -23.553 -27.791 1   33.201 ? 57  TYR   A CA   1 ? 1 
ATOM   663  C C    . TYR   A 1 45  ? -8.172  -24.133 -27.323 1   34.079 ? 57  TYR   A C    1 ? 1 
ATOM   664  O O    . TYR   A 1 45  ? -8.072  -24.868 -26.348 1   37.469 ? 57  TYR   A O    1 ? 1 
ATOM   665  C CB   . TYR   A 1 45  ? -9.728  -22.132 -27.261 1   30.872 ? 57  TYR   A CB   1 ? 1 
ATOM   666  C CG   . TYR   A 1 45  ? -9.403  -22.02  -25.771 1   29.576 ? 57  TYR   A CG   1 ? 1 
ATOM   667  C CD1  . TYR   A 1 45  ? -8.124  -21.7   -25.354 1   30.023 ? 57  TYR   A CD1  1 ? 1 
ATOM   668  C CD2  . TYR   A 1 45  ? -10.356 -22.257 -24.796 1   32.29  ? 57  TYR   A CD2  1 ? 1 
ATOM   669  C CE1  . TYR   A 1 45  ? -7.777  -21.629 -24.01  1   28.55  ? 57  TYR   A CE1  1 ? 1 
ATOM   670  C CE2  . TYR   A 1 45  ? -10.029 -22.174 -23.454 1   31.094 ? 57  TYR   A CE2  1 ? 1 
ATOM   671  C CZ   . TYR   A 1 45  ? -8.74   -21.874 -23.054 1   31.432 ? 57  TYR   A CZ   1 ? 1 
ATOM   672  O OH   . TYR   A 1 45  ? -8.362  -21.801 -21.736 1   31.667 ? 57  TYR   A OH   1 ? 1 
ATOM   673  H H    . TYR   A 1 45  ? -10.518 -24.992 -26.716 1   35.545 ? 57  TYR   A H    1 c 1 
ATOM   674  H HA   . TYR   A 1 45  ? -9.488  -23.502 -28.78  1   33.181 ? 57  TYR   A HA   1 c 1 
ATOM   675  H HB2  . TYR   A 1 45  ? -9.153  -21.514 -27.765 1   30.076 ? 57  TYR   A HB2  1 c 1 
ATOM   676  H HB3  . TYR   A 1 45  ? -10.666 -21.875 -27.407 1   30.532 ? 57  TYR   A HB3  1 c 1 
ATOM   677  H HD1  . TYR   A 1 45  ? -7.457  -21.55  -26.005 1   29.64  ? 57  TYR   A HD1  1 c 1 
ATOM   678  H HD2  . TYR   A 1 45  ? -11.238 -22.48  -25.048 1   31.825 ? 57  TYR   A HD2  1 c 1 
ATOM   679  H HE1  . TYR   A 1 45  ? -6.896  -21.417 -23.756 1   29.27  ? 57  TYR   A HE1  1 c 1 
ATOM   680  H HE2  . TYR   A 1 45  ? -10.687 -22.348 -22.803 1   31.746 ? 57  TYR   A HE2  1 c 1 
ATOM   681  H HH   . TYR   A 1 45  ? -7.508  -21.574 -21.691 0   20     ? 57  TYR   A HH   1 c 1 
ATOM   682  N N    . LYS   A 1 46  ? -7.129  -23.677 -28.001 1   34.441 ? 58  LYS   A N    1 ? 1 
ATOM   683  C CA   . LYS   A 1 46  ? -5.749  -23.757 -27.556 1   35.491 ? 58  LYS   A CA   1 ? 1 
ATOM   684  C C    . LYS   A 1 46  ? -5.196  -22.344 -27.622 1   34.095 ? 58  LYS   A C    1 ? 1 
ATOM   685  O O    . LYS   A 1 46  ? -5.543  -21.568 -28.512 1   34.503 ? 58  LYS   A O    1 ? 1 
ATOM   686  C CB   . LYS   A 1 46  ? -4.931  -24.693 -28.46  1   38.864 ? 58  LYS   A CB   1 ? 1 
ATOM   687  C CG   . LYS   A 1 46  ? -5.558  -26.085 -28.531 1   41.996 ? 58  LYS   A CG   1 ? 1 
ATOM   688  C CD   . LYS   A 1 46  ? -4.662  -27.224 -28.994 1   44.267 ? 58  LYS   A CD   1 ? 1 
ATOM   689  C CE   . LYS   A 1 46  ? -4.848  -27.762 -30.315 1   45.296 ? 58  LYS   A CE   1 ? 1 
ATOM   690  N NZ   . LYS   A 1 46  ? -4.146  -29.031 -30.443 1   46.019 ? 58  LYS   A NZ   1 ? 1 
ATOM   691  H H    . LYS   A 1 46  ? -7.289  -23.288 -28.813 1   34.106 ? 58  LYS   A H    1 c 1 
ATOM   692  H HA   . LYS   A 1 46  ? -5.729  -24.08  -26.621 1   35.859 ? 58  LYS   A HA   1 c 1 
ATOM   693  H HB2  . LYS   A 1 46  ? -4.883  -24.316 -29.364 1   38.877 ? 58  LYS   A HB2  1 c 1 
ATOM   694  H HB3  . LYS   A 1 46  ? -4.018  -24.769 -28.11  1   39.179 ? 58  LYS   A HB3  1 c 1 
ATOM   695  H HG2  . LYS   A 1 46  ? -5.903  -26.307 -27.639 1   41.629 ? 58  LYS   A HG2  1 c 1 
ATOM   696  H HG3  . LYS   A 1 46  ? -6.333  -26.037 -29.133 1   41.762 ? 58  LYS   A HG3  1 c 1 
ATOM   697  H HD2  . LYS   A 1 46  ? -3.733  -26.921 -28.916 1   44.08  ? 58  LYS   A HD2  1 c 1 
ATOM   698  H HD3  . LYS   A 1 46  ? -4.765  -27.957 -28.348 1   45.319 ? 58  LYS   A HD3  1 c 1 
ATOM   699  H HE2  . LYS   A 1 46  ? -5.797  -27.899 -30.489 1   44.718 ? 58  LYS   A HE2  1 c 1 
ATOM   700  H HE3  . LYS   A 1 46  ? -4.5    -27.135 -30.975 1   44.196 ? 58  LYS   A HE3  1 c 1 
ATOM   701  H HZ1  . LYS   A 1 46  ? -4.55   -29.659 -29.93  1   47.26  ? 58  LYS   A HZ1  1 c 1 
ATOM   702  H HZ2  . LYS   A 1 46  ? -3.285  -28.937 -30.177 1   46.536 ? 58  LYS   A HZ2  1 c 1 
ATOM   703  H HZ3  . LYS   A 1 46  ? -4.162  -29.3   -31.307 1   47.496 ? 58  LYS   A HZ3  1 c 1 
ATOM   704  N N    . GLY   A 1 47  ? -4.402  -22.006 -26.63  1   31.609 ? 59  GLY   A N    1 ? 1 
ATOM   705  C CA   . GLY   A 1 47  ? -3.83   -20.682 -26.476 1   28.458 ? 59  GLY   A CA   1 ? 1 
ATOM   706  C C    . GLY   A 1 47  ? -2.37   -20.839 -26.065 1   29.245 ? 59  GLY   A C    1 ? 1 
ATOM   707  O O    . GLY   A 1 47  ? -1.977  -21.77  -25.325 1   29.85  ? 59  GLY   A O    1 ? 1 
ATOM   708  H H    . GLY   A 1 47  ? -4.196  -22.638 -26.002 1   32.444 ? 59  GLY   A H    1 c 1 
ATOM   709  H HA2  . GLY   A 1 47  ? -3.895  -20.191 -27.324 1   28.227 ? 59  GLY   A HA2  1 c 1 
ATOM   710  H HA3  . GLY   A 1 47  ? -4.327  -20.184 -25.784 1   27.631 ? 59  GLY   A HA3  1 c 1 
ATOM   711  N N    . LYS   A 1 48  ? -1.583  -19.844 -26.438 1   28.837 ? 60  LYS   A N    1 ? 1 
ATOM   712  C CA   . LYS   A 1 48  ? -0.192  -19.783 -26.053 1   30.274 ? 60  LYS   A CA   1 ? 1 
ATOM   713  C C    . LYS   A 1 48  ? 0.297   -18.349 -26.191 1   30.096 ? 60  LYS   A C    1 ? 1 
ATOM   714  O O    . LYS   A 1 48  ? -0.277  -17.551 -26.964 1   29.87  ? 60  LYS   A O    1 ? 1 
ATOM   715  C CB   . LYS   A 1 48  ? 0.669   -20.719 -26.929 1   32.698 ? 60  LYS   A CB   1 ? 1 
ATOM   716  C CG   . LYS   A 1 48  ? 0.677   -20.453 -28.383 1   33.989 ? 60  LYS   A CG   1 ? 1 
ATOM   717  C CD   . LYS   A 1 48  ? 1.731   -21.238 -29.137 1   37.834 ? 60  LYS   A CD   1 ? 1 
ATOM   718  C CE   . LYS   A 1 48  ? 1.742   -21.044 -30.603 1   41.034 ? 60  LYS   A CE   1 ? 1 
ATOM   719  N NZ   . LYS   A 1 48  ? 2.957   -21.588 -31.246 1   45.97  ? 60  LYS   A NZ   1 ? 1 
ATOM   720  H H    . LYS   A 1 48  ? -1.926  -19.173 -26.956 1   28.057 ? 60  LYS   A H    1 c 1 
ATOM   721  H HA   . LYS   A 1 48  ? -0.117  -20.056 -25.105 1   30.381 ? 60  LYS   A HA   1 c 1 
ATOM   722  H HB2  . LYS   A 1 48  ? 1.594   -20.672 -26.607 1   33.512 ? 60  LYS   A HB2  1 c 1 
ATOM   723  H HB3  . LYS   A 1 48  ? 0.358   -21.639 -26.791 1   33.629 ? 60  LYS   A HB3  1 c 1 
ATOM   724  H HG2  . LYS   A 1 48  ? -0.208  -20.673 -28.746 1   33.712 ? 60  LYS   A HG2  1 c 1 
ATOM   725  H HG3  . LYS   A 1 48  ? 0.831   -19.494 -28.527 1   33.231 ? 60  LYS   A HG3  1 c 1 
ATOM   726  H HD2  . LYS   A 1 48  ? 2.611   -20.991 -28.782 1   38.439 ? 60  LYS   A HD2  1 c 1 
ATOM   727  H HD3  . LYS   A 1 48  ? 1.599   -22.193 -28.948 1   38.792 ? 60  LYS   A HD3  1 c 1 
ATOM   728  H HE2  . LYS   A 1 48  ? 0.961   -21.478 -30.99  1   40.943 ? 60  LYS   A HE2  1 c 1 
ATOM   729  H HE3  . LYS   A 1 48  ? 1.684   -20.092 -30.8   1   39.982 ? 60  LYS   A HE3  1 c 1 
ATOM   730  H HZ1  . LYS   A 1 48  ? 2.987   -22.487 -31.133 1   46.534 ? 60  LYS   A HZ1  1 c 1 
ATOM   731  H HZ2  . LYS   A 1 48  ? 3.695   -21.217 -30.875 1   45.467 ? 60  LYS   A HZ2  1 c 1 
ATOM   732  H HZ3  . LYS   A 1 48  ? 2.944   -21.401 -32.133 1   46.247 ? 60  LYS   A HZ3  1 c 1 
ATOM   733  N N    . LEU   A 1 49  ? 1.378   -18.045 -25.469 1   30.361 ? 61  LEU   A N    1 ? 1 
ATOM   734  C CA   . LEU   A 1 49  ? 2.129   -16.846 -25.761 1   33.089 ? 61  LEU   A CA   1 ? 1 
ATOM   735  C C    . LEU   A 1 49  ? 2.695   -17.048 -27.155 1   37.312 ? 61  LEU   A C    1 ? 1 
ATOM   736  O O    . LEU   A 1 49  ? 3.02    -18.185 -27.512 1   39.529 ? 61  LEU   A O    1 ? 1 
ATOM   737  C CB   . LEU   A 1 49  ? 3.191   -16.624 -24.695 1   35.923 ? 61  LEU   A CB   1 ? 1 
ATOM   738  C CG   . LEU   A 1 49  ? 2.658   -16.447 -23.273 1   37.565 ? 61  LEU   A CG   1 ? 1 
ATOM   739  C CD1  . LEU   A 1 49  ? 3.831   -15.997 -22.418 1   42.628 ? 61  LEU   A CD1  1 ? 1 
ATOM   740  C CD2  . LEU   A 1 49  ? 1.488   -15.529 -23.113 1   35.646 ? 61  LEU   A CD2  1 ? 1 
ATOM   741  H H    . LEU   A 1 49  ? 1.651   -18.594 -24.792 1   31.198 ? 61  LEU   A H    1 c 1 
ATOM   742  H HA   . LEU   A 1 49  ? 1.506   -16.076 -25.772 1   31.882 ? 61  LEU   A HA   1 c 1 
ATOM   743  H HB2  . LEU   A 1 49  ? 3.805   -17.395 -24.705 1   37.112 ? 61  LEU   A HB2  1 c 1 
ATOM   744  H HB3  . LEU   A 1 49  ? 3.708   -15.822 -24.938 1   35.858 ? 61  LEU   A HB3  1 c 1 
ATOM   745  H HG   . LEU   A 1 49  ? 2.378   -17.34  -22.943 1   38.049 ? 61  LEU   A HG   1 c 1 
ATOM   746  H HD11 . LEU   A 1 49  ? 4.543   -16.657 -22.47  1   42.936 ? 61  LEU   A HD11 1 c 1 
ATOM   747  H HD12 . LEU   A 1 49  ? 3.543   -15.906 -21.494 1   41.634 ? 61  LEU   A HD12 1 c 1 
ATOM   748  H HD13 . LEU   A 1 49  ? 4.159   -15.141 -22.739 1   41.573 ? 61  LEU   A HD13 1 c 1 
ATOM   749  H HD21 . LEU   A 1 49  ? 0.7     -15.936 -23.51  1   35.171 ? 61  LEU   A HD21 1 c 1 
ATOM   750  H HD22 . LEU   A 1 49  ? 1.674   -14.684 -23.556 1   35.433 ? 61  LEU   A HD22 1 c 1 
ATOM   751  H HD23 . LEU   A 1 49  ? 1.326   -15.37  -22.168 1   35.556 ? 61  LEU   A HD23 1 c 1 
ATOM   752  N N    . SER   A 1 50  ? 2.742   -15.966 -27.967 1   37.39  ? 62  SER   A N    1 ? 1 
ATOM   753  C CA   . SER   A 1 50  ? 3.324   -16.032 -29.3   1   41.927 ? 62  SER   A CA   1 ? 1 
ATOM   754  C C    . SER   A 1 50  ? 4.714   -16.689 -29.295 1   45.833 ? 62  SER   A C    1 ? 1 
ATOM   755  O O    . SER   A 1 50  ? 5.095   -17.326 -30.264 1   50.411 ? 62  SER   A O    1 ? 1 
ATOM   756  C CB   . SER   A 1 50  ? 3.368   -14.653 -29.905 1   42.979 ? 62  SER   A CB   1 ? 1 
ATOM   757  O OG   . SER   A 1 50  ? 4.309   -13.865 -29.173 1   49.377 ? 62  SER   A OG   1 ? 1 
ATOM   758  H H    . SER   A 1 50  ? 2.4     -15.17  -27.674 1   36.723 ? 62  SER   A H    1 c 1 
ATOM   759  H HA   . SER   A 1 50  ? 2.728   -16.591 -29.86  1   41.844 ? 62  SER   A HA   1 c 1 
ATOM   760  H HB2  . SER   A 1 50  ? 3.641   -14.711 -30.84  1   44.868 ? 62  SER   A HB2  1 c 1 
ATOM   761  H HB3  . SER   A 1 50  ? 2.484   -14.243 -29.857 1   42.298 ? 62  SER   A HB3  1 c 1 
ATOM   762  H HG   . SER   A 1 50  ? 4.399   -13.071 -29.474 0   20     ? 62  SER   A HG   1 c 1 
ATOM   763  N N    . ASN   A 1 51  ? 5.468   -16.493 -28.212 1   48.137 ? 63  ASN   A N    1 ? 1 
ATOM   764  C CA   . ASN   A 1 51  ? 6.709   -17.192 -27.874 1   51.171 ? 63  ASN   A CA   1 ? 1 
ATOM   765  C C    . ASN   A 1 51  ? 6.625   -18.713 -28.01  1   52.53  ? 63  ASN   A C    1 ? 1 
ATOM   766  O O    . ASN   A 1 51  ? 7.564   -19.363 -28.439 1   57.915 ? 63  ASN   A O    1 ? 1 
ATOM   767  C CB   . ASN   A 1 51  ? 6.997   -16.989 -26.386 1   46.103 ? 63  ASN   A CB   1 ? 1 
ATOM   768  H H    . ASN   A 1 51  ? 5.19    -15.842 -27.634 1   46.453 ? 63  ASN   A H    1 c 1 
ATOM   769  H HA   . ASN   A 1 51  ? 7.458   -16.831 -28.401 1   51.465 ? 63  ASN   A HA   1 c 1 
ATOM   770  H HB2  . ASN   A 1 51  ? 8.168   -16.889 -26.484 0   20     ? 63  ASN   A HB2  1 c 1 
ATOM   771  H HB3  . ASN   A 1 51  ? 6.404   -16.767 -25.951 0   20     ? 63  ASN   A HB3  1 c 1 
ATOM   772  N N    . GLY   A 1 52  ? 5.534   -19.284 -27.49  1   53.861 ? 64  GLY   A N    1 ? 1 
ATOM   773  C CA   . GLY   A 1 52  ? 5.365   -20.719 -27.331 1   54.118 ? 64  GLY   A CA   1 ? 1 
ATOM   774  C C    . GLY   A 1 52  ? 5.291   -21.151 -25.86  1   56.018 ? 64  GLY   A C    1 ? 1 
ATOM   775  O O    . GLY   A 1 52  ? 4.873   -22.286 -25.613 1   56.753 ? 64  GLY   A O    1 ? 1 
ATOM   776  H H    . GLY   A 1 52  ? 4.848   -18.743 -27.221 1   51.328 ? 64  GLY   A H    1 c 1 
ATOM   777  H HA2  . GLY   A 1 52  ? 4.538   -20.992 -27.789 1   53.873 ? 64  GLY   A HA2  1 c 1 
ATOM   778  H HA3  . GLY   A 1 52  ? 6.116   -21.183 -27.768 1   56.281 ? 64  GLY   A HA3  1 c 1 
ATOM   779  N N    . LYS   A 1 53  ? 5.588   -20.238 -24.904 1   53.258 ? 65  LYS   A N    1 ? 1 
ATOM   780  C CA   . LYS   A 1 53  ? 6.257   -20.538 -23.625 1   55     ? 65  LYS   A CA   1 ? 1 
ATOM   781  C C    . LYS   A 1 53  ? 5.321   -20.989 -22.47  1   52.157 ? 65  LYS   A C    1 ? 1 
ATOM   782  O O    . LYS   A 1 53  ? 5.731   -21.654 -21.48  1   49.846 ? 65  LYS   A O    1 ? 1 
ATOM   783  C CB   . LYS   A 1 53  ? 7.009   -19.246 -23.282 1   52.816 ? 65  LYS   A CB   1 ? 1 
ATOM   784  H H    . LYS   A 1 53  ? 5.34    -19.371 -25.058 1   52.211 ? 65  LYS   A H    1 c 1 
ATOM   785  H HA   . LYS   A 1 53  ? 6.922   -21.255 -23.786 1   56.352 ? 65  LYS   A HA   1 c 1 
ATOM   786  H HB2  . LYS   A 1 53  ? 8.013   -19.379 -23.278 0   20     ? 65  LYS   A HB2  1 c 1 
ATOM   787  H HB3  . LYS   A 1 53  ? 6.389   -18.518 -23.003 0   20     ? 65  LYS   A HB3  1 c 1 
ATOM   788  N N    . LYS   A 1 54  ? 4.059   -20.549 -22.571 1   45.013 ? 66  LYS   A N    1 ? 1 
ATOM   789  C CA   . LYS   A 1 54  ? 2.923   -21.052 -21.817 1   40.054 ? 66  LYS   A CA   1 ? 1 
ATOM   790  C C    . LYS   A 1 54  ? 1.951   -21.503 -22.892 1   39.886 ? 66  LYS   A C    1 ? 1 
ATOM   791  O O    . LYS   A 1 54  ? 1.881   -20.778 -23.902 1   41.443 ? 66  LYS   A O    1 ? 1 
ATOM   792  C CB   . LYS   A 1 54  ? 2.246   -19.921 -21.016 1   36.377 ? 66  LYS   A CB   1 ? 1 
ATOM   793  H H    . LYS   A 1 54  ? 3.901   -19.867 -23.159 1   43.895 ? 66  LYS   A H    1 c 1 
ATOM   794  H HA   . LYS   A 1 54  ? 3.201   -21.813 -21.248 1   41.492 ? 66  LYS   A HA   1 c 1 
ATOM   795  H HB2  . LYS   A 1 54  ? 2.99    -19.433 -20.554 0   20     ? 66  LYS   A HB2  1 c 1 
ATOM   796  H HB3  . LYS   A 1 54  ? 1.314   -20.055 -21.063 0   20     ? 66  LYS   A HB3  1 c 1 
ATOM   797  N N    . PHE   A 1 55  ? 1.37    -22.694 -22.711 1   37.288 ? 67  PHE   A N    1 ? 1 
ATOM   798  C CA   . PHE   A 1 55  ? 0.406   -23.36  -23.577 1   36.386 ? 67  PHE   A CA   1 ? 1 
ATOM   799  C C    . PHE   A 1 55  ? -0.772  -23.797 -22.717 1   34.427 ? 67  PHE   A C    1 ? 1 
ATOM   800  O O    . PHE   A 1 55  ? -0.571  -24.247 -21.571 1   37.099 ? 67  PHE   A O    1 ? 1 
ATOM   801  C CB   . PHE   A 1 55  ? 1.048   -24.592 -24.244 1   40.067 ? 67  PHE   A CB   1 ? 1 
ATOM   802  C CG   . PHE   A 1 55  ? 0.264   -25.198 -25.393 1   43.968 ? 67  PHE   A CG   1 ? 1 
ATOM   803  C CD1  . PHE   A 1 55  ? -0.725  -26.161 -25.168 1   46.48  ? 67  PHE   A CD1  1 ? 1 
ATOM   804  C CD2  . PHE   A 1 55  ? 0.532   -24.805 -26.704 1   45.654 ? 67  PHE   A CD2  1 ? 1 
ATOM   805  C CE1  . PHE   A 1 55  ? -1.438  -26.701 -26.246 1   47.976 ? 67  PHE   A CE1  1 ? 1 
ATOM   806  C CE2  . PHE   A 1 55  ? -0.188  -25.332 -27.769 1   46.237 ? 67  PHE   A CE2  1 ? 1 
ATOM   807  C CZ   . PHE   A 1 55  ? -1.176  -26.268 -27.536 1   47.561 ? 67  PHE   A CZ   1 ? 1 
ATOM   808  H H    . PHE   A 1 55  ? 1.607   -23.142 -21.951 1   38.404 ? 67  PHE   A H    1 c 1 
ATOM   809  H HA   . PHE   A 1 55  ? 0.097   -22.727 -24.276 1   35.142 ? 67  PHE   A HA   1 c 1 
ATOM   810  H HB2  . PHE   A 1 55  ? 1.933   -24.332 -24.577 1   41.065 ? 67  PHE   A HB2  1 c 1 
ATOM   811  H HB3  . PHE   A 1 55  ? 1.182   -25.281 -23.556 1   41.467 ? 67  PHE   A HB3  1 c 1 
ATOM   812  H HD1  . PHE   A 1 55  ? -0.915  -26.441 -24.287 1   46.743 ? 67  PHE   A HD1  1 c 1 
ATOM   813  H HD2  . PHE   A 1 55  ? 1.191   -24.149 -26.866 1   44.745 ? 67  PHE   A HD2  1 c 1 
ATOM   814  H HE1  . PHE   A 1 55  ? -2.112  -27.343 -26.09  1   48.47  ? 67  PHE   A HE1  1 c 1 
ATOM   815  H HE2  . PHE   A 1 55  ? -0.001  -25.05  -28.65  1   46.443 ? 67  PHE   A HE2  1 c 1 
ATOM   816  H HZ   . PHE   A 1 55  ? -1.647  -26.642 -28.261 1   48.141 ? 67  PHE   A HZ   1 c 1 
ATOM   817  N N    . ASP   A 1 56  ? -1.984  -23.547 -23.207 1   31.771 ? 68  ASP   A N    1 ? 1 
ATOM   818  C CA   . ASP   A 1 56  ? -3.204  -23.789 -22.466 1   32.35  ? 68  ASP   A CA   1 ? 1 
ATOM   819  C C    . ASP   A 1 56  ? -4.222  -24.369 -23.44  1   34.427 ? 68  ASP   A C    1 ? 1 
ATOM   820  O O    . ASP   A 1 56  ? -4.348  -23.891 -24.559 1   35.069 ? 68  ASP   A O    1 ? 1 
ATOM   821  C CB   . ASP   A 1 56  ? -3.724  -22.483 -21.87  1   30.131 ? 68  ASP   A CB   1 ? 1 
ATOM   822  C CG   . ASP   A 1 56  ? -5.132  -22.537 -21.288 1   30.262 ? 68  ASP   A CG   1 ? 1 
ATOM   823  O OD1  . ASP   A 1 56  ? -5.388  -23.557 -20.605 1   33.492 ? 68  ASP   A OD1  1 ? 1 
ATOM   824  O OD2  . ASP   A 1 56  ? -5.931  -21.56  -21.506 1   28.496 ? 68  ASP   A OD2  1 ? 1 
ATOM   825  H H    . ASP   A 1 56  ? -2.052  -23.206 -24.053 1   31.237 ? 68  ASP   A H    1 c 1 
ATOM   826  H HA   . ASP   A 1 56  ? -3.025  -24.441 -21.751 1   33.61  ? 68  ASP   A HA   1 c 1 
ATOM   827  H HB2  . ASP   A 1 56  ? -3.112  -22.2   -21.159 1   30.395 ? 68  ASP   A HB2  1 c 1 
ATOM   828  H HB3  . ASP   A 1 56  ? -3.71   -21.795 -22.568 1   29.108 ? 68  ASP   A HB3  1 c 1 
ATOM   829  N N    . SER   A 1 57  ? -5.037  -25.297 -22.982 1   37.585 ? 69  SER   A N    1 ? 1 
ATOM   830  C CA   . SER   A 1 57  ? -6.011  -25.901 -23.864 1   40.114 ? 69  SER   A CA   1 ? 1 
ATOM   831  C C    . SER   A 1 57  ? -7.242  -26.297 -23.062 1   41.129 ? 69  SER   A C    1 ? 1 
ATOM   832  O O    . SER   A 1 57  ? -7.084  -26.9   -21.992 1   42.116 ? 69  SER   A O    1 ? 1 
ATOM   833  C CB   . SER   A 1 57  ? -5.402  -27.123 -24.536 1   46.947 ? 69  SER   A CB   1 ? 1 
ATOM   834  O OG   . SER   A 1 57  ? -6.339  -27.678 -25.447 1   52.541 ? 69  SER   A OG   1 ? 1 
ATOM   835  H H    . SER   A 1 57  ? -4.993  -25.563 -22.109 1   38.413 ? 69  SER   A H    1 c 1 
ATOM   836  H HA   . SER   A 1 57  ? -6.273  -25.244 -24.556 1   39.098 ? 69  SER   A HA   1 c 1 
ATOM   837  H HB2  . SER   A 1 57  ? -4.591  -26.864 -25.014 1   46.677 ? 69  SER   A HB2  1 c 1 
ATOM   838  H HB3  . SER   A 1 57  ? -5.168  -27.786 -23.859 1   48.236 ? 69  SER   A HB3  1 c 1 
ATOM   839  H HG   . SER   A 1 57  ? -6.04   -28.388 -25.766 0   20     ? 69  SER   A HG   1 c 1 
ATOM   840  N N    . SER   A 1 58  ? -8.425  -25.987 -23.619 1   40.232 ? 70  SER   A N    1 ? 1 
ATOM   841  C CA   . SER   A 1 58  ? -9.692  -26.492 -23.114 1   42.42  ? 70  SER   A CA   1 ? 1 
ATOM   842  C C    . SER   A 1 58  ? -9.716  -28.007 -23.244 1   47.08  ? 70  SER   A C    1 ? 1 
ATOM   843  O O    . SER   A 1 58  ? -10.363 -28.67  -22.456 1   52.557 ? 70  SER   A O    1 ? 1 
ATOM   844  C CB   . SER   A 1 58  ? -10.871 -25.902 -23.838 1   41.015 ? 70  SER   A CB   1 ? 1 
ATOM   845  O OG   . SER   A 1 58  ? -10.836 -26.158 -25.256 1   40.528 ? 70  SER   A OG   1 ? 1 
ATOM   846  H H    . SER   A 1 58  ? -8.438  -25.432 -24.346 1   39.329 ? 70  SER   A H    1 c 1 
ATOM   847  H HA   . SER   A 1 58  ? -9.761  -26.258 -22.153 1   42.519 ? 70  SER   A HA   1 c 1 
ATOM   848  H HB2  . SER   A 1 58  ? -11.692 -26.275 -23.465 1   41.745 ? 70  SER   A HB2  1 c 1 
ATOM   849  H HB3  . SER   A 1 58  ? -10.887 -24.938 -23.687 1   39.386 ? 70  SER   A HB3  1 c 1 
ATOM   850  H HG   . SER   A 1 58  ? -11.511 -25.795 -25.6   0   20     ? 70  SER   A HG   1 c 1 
ATOM   851  N N    . HIS   A 1 59  ? -9.031  -28.531 -24.266 1   47.31  ? 71  HIS   A N    1 ? 1 
ATOM   852  C CA   . HIS   A 1 59  ? -8.946  -29.972 -24.476 1   54.162 ? 71  HIS   A CA   1 ? 1 
ATOM   853  C C    . HIS   A 1 59  ? -8.169  -30.603 -23.325 1   56.366 ? 71  HIS   A C    1 ? 1 
ATOM   854  O O    . HIS   A 1 59  ? -8.321  -31.797 -23.078 1   61.246 ? 71  HIS   A O    1 ? 1 
ATOM   855  C CB   . HIS   A 1 59  ? -8.322  -30.278 -25.841 1   57.195 ? 71  HIS   A CB   1 ? 1 
ATOM   856  C CG   . HIS   A 1 59  ? -9.223  -30.009 -26.989 1   60.473 ? 71  HIS   A CG   1 ? 1 
ATOM   857  N ND1  . HIS   A 1 59  ? -8.893  -29.093 -27.967 1   62.514 ? 71  HIS   A ND1  1 ? 1 
ATOM   858  C CD2  . HIS   A 1 59  ? -10.435 -30.505 -27.314 1   64.986 ? 71  HIS   A CD2  1 ? 1 
ATOM   859  C CE1  . HIS   A 1 59  ? -9.881  -29.052 -28.869 1   63.847 ? 71  HIS   A CE1  1 ? 1 
ATOM   860  N NE2  . HIS   A 1 59  ? -10.824 -29.906 -28.498 1   65.132 ? 71  HIS   A NE2  1 ? 1 
ATOM   861  H H    . HIS   A 1 59  ? -8.615  -27.976 -24.861 1   46.99  ? 71  HIS   A H    1 c 1 
ATOM   862  H HA   . HIS   A 1 59  ? -9.866  -30.334 -24.463 1   54.714 ? 71  HIS   A HA   1 c 1 
ATOM   863  H HB2  . HIS   A 1 59  ? -7.508  -29.743 -25.943 1   56.254 ? 71  HIS   A HB2  1 c 1 
ATOM   864  H HB3  . HIS   A 1 59  ? -8.059  -31.224 -25.86  1   59.65  ? 71  HIS   A HB3  1 c 1 
ATOM   865  H HD1  . HIS   A 1 59  ? -8.204  -28.661 -28.047 0   20     ? 71  HIS   A HD1  1 c 1 
ATOM   866  H HD2  . HIS   A 1 59  ? -10.921 -31.152 -26.84  1   65.912 ? 71  HIS   A HD2  1 c 1 
ATOM   867  H HE1  . HIS   A 1 59  ? -9.899  -28.512 -29.638 1   62.906 ? 71  HIS   A HE1  1 c 1 
ATOM   868  H HE2  . HIS   A 1 59  ? -11.628 -30.144 -28.841 0   20     ? 71  HIS   A HE2  1 c 1 
ATOM   869  N N    . ASP   A 1 60  ? -7.342  -29.817 -22.616 1   57.339 ? 72  ASP   A N    1 ? 1 
ATOM   870  C CA   . ASP   A 1 60  ? -6.684  -30.302 -21.402 1   60.25  ? 72  ASP   A CA   1 ? 1 
ATOM   871  C C    . ASP   A 1 60  ? -7.712  -30.576 -20.307 1   60.317 ? 72  ASP   A C    1 ? 1 
ATOM   872  O O    . ASP   A 1 60  ? -7.384  -31.282 -19.384 1   68.137 ? 72  ASP   A O    1 ? 1 
ATOM   873  C CB   . ASP   A 1 60  ? -5.545  -29.414 -20.906 1   58.117 ? 72  ASP   A CB   1 ? 1 
ATOM   874  H H    . ASP   A 1 60  ? -7.164  -28.969 -22.904 1   54.894 ? 72  ASP   A H    1 c 1 
ATOM   875  H HA   . ASP   A 1 60  ? -6.256  -31.16  -21.624 1   61.9   ? 72  ASP   A HA   1 c 1 
ATOM   876  H HB2  . ASP   A 1 60  ? -4.749  -29.724 -21.031 0   20     ? 72  ASP   A HB2  1 c 1 
ATOM   877  H HB3  . ASP   A 1 60  ? -6.084  -28.606 -20.389 0   20     ? 72  ASP   A HB3  1 c 1 
ATOM   878  N N    . ARG   A 1 61  ? -8.922  -30.018 -20.365 1   57.309 ? 73  ARG   A N    1 ? 1 
ATOM   879  C CA   . ARG   A 1 61  ? -9.955  -30.364 -19.391 1   59.496 ? 73  ARG   A CA   1 ? 1 
ATOM   880  C C    . ARG   A 1 61  ? -11.045 -31.209 -20.067 1   60.766 ? 73  ARG   A C    1 ? 1 
ATOM   881  O O    . ARG   A 1 61  ? -12.036 -31.585 -19.447 1   63.603 ? 73  ARG   A O    1 ? 1 
ATOM   882  C CB   . ARG   A 1 61  ? -10.451 -29.071 -18.718 1   56.183 ? 73  ARG   A CB   1 ? 1 
ATOM   883  H H    . ARG   A 1 61  ? -9.103  -29.387 -21     1   55.616 ? 73  ARG   A H    1 c 1 
ATOM   884  H HA   . ARG   A 1 61  ? -9.539  -30.919 -18.684 1   61.103 ? 73  ARG   A HA   1 c 1 
ATOM   885  H HB2  . ARG   A 1 61  ? -9.746  -28.57  -18.434 0   20     ? 73  ARG   A HB2  1 c 1 
ATOM   886  H HB3  . ARG   A 1 61  ? -11.487 -29.148 -18.734 0   20     ? 73  ARG   A HB3  1 c 1 
ATOM   887  N N    . ASN   A 1 62  ? -10.864 -31.49  -21.365 1   59.581 ? 74  ASN   A N    1 ? 1 
ATOM   888  C CA   . ASN   A 1 62  ? -11.758 -32.33  -22.165 1   60.158 ? 74  ASN   A CA   1 ? 1 
ATOM   889  C C    . ASN   A 1 62  ? -13.206 -31.831 -22.085 1   57.809 ? 74  ASN   A C    1 ? 1 
ATOM   890  O O    . ASN   A 1 62  ? -14.124 -32.633 -22.133 1   59.824 ? 74  ASN   A O    1 ? 1 
ATOM   891  C CB   . ASN   A 1 62  ? -11.607 -33.812 -21.797 1   64.787 ? 74  ASN   A CB   1 ? 1 
ATOM   892  H H    . ASN   A 1 62  ? -10.136 -31.136 -21.785 1   58.288 ? 74  ASN   A H    1 c 1 
ATOM   893  H HA   . ASN   A 1 62  ? -11.474 -32.244 -23.103 1   59.584 ? 74  ASN   A HA   1 c 1 
ATOM   894  H HB2  . ASN   A 1 62  ? -10.662 -34.02  -21.742 0   20     ? 74  ASN   A HB2  1 c 1 
ATOM   895  H HB3  . ASN   A 1 62  ? -12.5   -34.203 -21.695 0   20     ? 74  ASN   A HB3  1 c 1 
ATOM   896  N N    . GLU   A 1 63  ? -13.421 -30.507 -21.986 1   55.141 ? 75  GLU   A N    1 ? 1 
ATOM   897  C CA   . GLU   A 1 63  ? -14.78  -29.97  -21.924 1   54.573 ? 75  GLU   A CA   1 ? 1 
ATOM   898  C C    . GLU   A 1 63  ? -14.799 -28.537 -22.466 1   49.903 ? 75  GLU   A C    1 ? 1 
ATOM   899  O O    . GLU   A 1 63  ? -13.775 -27.845 -22.412 1   48.039 ? 75  GLU   A O    1 ? 1 
ATOM   900  C CB   . GLU   A 1 63  ? -15.383 -29.932 -20.518 1   59.016 ? 75  GLU   A CB   1 ? 1 
ATOM   901  C CG   . GLU   A 1 63  ? -14.574 -29.065 -19.56  1   61.501 ? 75  GLU   A CG   1 ? 1 
ATOM   902  C CD   . GLU   A 1 63  ? -15.287 -28.636 -18.287 1   66.798 ? 75  GLU   A CD   1 ? 1 
ATOM   903  O OE1  . GLU   A 1 63  ? -16.28  -27.902 -18.453 1   67.7   ? 75  GLU   A OE1  1 ? 1 
ATOM   904  O OE2  . GLU   A 1 63  ? -14.861 -29.025 -17.167 1   71.369 ? 75  GLU   A OE2  1 ? 1 
ATOM   905  H H    . GLU   A 1 63  ? -12.713 -29.929 -21.968 1   53.598 ? 75  GLU   A H    1 c 1 
ATOM   906  H HA   . GLU   A 1 63  ? -15.358 -30.531 -22.499 1   56.227 ? 75  GLU   A HA   1 c 1 
ATOM   907  H HB2  . GLU   A 1 63  ? -16.299 -29.588 -20.573 1   58.57  ? 75  GLU   A HB2  1 c 1 
ATOM   908  H HB3  . GLU   A 1 63  ? -15.427 -30.846 -20.167 1   61.234 ? 75  GLU   A HB3  1 c 1 
ATOM   909  H HG2  . GLU   A 1 63  ? -13.762 -29.552 -19.306 1   62.024 ? 75  GLU   A HG2  1 c 1 
ATOM   910  H HG3  . GLU   A 1 63  ? -14.286 -28.256 -20.03  1   58.669 ? 75  GLU   A HG3  1 c 1 
ATOM   911  N N    . PRO   A 1 64  ? -15.933 -28.073 -23.042 1   48.111 ? 76  PRO   A N    1 ? 1 
ATOM   912  C CA   . PRO   A 1 64  ? -15.949 -26.769 -23.675 1   44.615 ? 76  PRO   A CA   1 ? 1 
ATOM   913  C C    . PRO   A 1 64  ? -15.723 -25.634 -22.684 1   43.181 ? 76  PRO   A C    1 ? 1 
ATOM   914  O O    . PRO   A 1 64  ? -16.071 -25.745 -21.52  1   43.924 ? 76  PRO   A O    1 ? 1 
ATOM   915  C CB   . PRO   A 1 64  ? -17.345 -26.59  -24.28  1   45.758 ? 76  PRO   A CB   1 ? 1 
ATOM   916  C CG   . PRO   A 1 64  ? -17.943 -27.97  -24.215 1   49.397 ? 76  PRO   A CG   1 ? 1 
ATOM   917  C CD   . PRO   A 1 64  ? -17.237 -28.746 -23.13  1   49.316 ? 76  PRO   A CD   1 ? 1 
ATOM   918  H HA   . PRO   A 1 64  ? -15.269 -26.737 -24.38  1   44.336 ? 76  PRO   A HA   1 c 1 
ATOM   919  H HB2  . PRO   A 1 64  ? -17.876 -25.955 -23.76  1   45.165 ? 76  PRO   A HB2  1 c 1 
ATOM   920  H HB3  . PRO   A 1 64  ? -17.287 -26.277 -25.203 1   44.806 ? 76  PRO   A HB3  1 c 1 
ATOM   921  H HG2  . PRO   A 1 64  ? -18.899 -27.915 -24.017 1   49.717 ? 76  PRO   A HG2  1 c 1 
ATOM   922  H HG3  . PRO   A 1 64  ? -17.835 -28.423 -25.074 1   49.761 ? 76  PRO   A HG3  1 c 1 
ATOM   923  H HD2  . PRO   A 1 64  ? -17.715 -28.688 -22.28  1   50.447 ? 76  PRO   A HD2  1 c 1 
ATOM   924  H HD3  . PRO   A 1 64  ? -17.131 -29.684 -23.378 1   51.63  ? 76  PRO   A HD3  1 c 1 
ATOM   925  N N    . PHE   A 1 65  ? -15.174 -24.536 -23.209 1   39.109 ? 77  PHE   A N    1 ? 1 
ATOM   926  C CA   . PHE   A 1 65  ? -15.09  -23.299 -22.47  1   36.251 ? 77  PHE   A CA   1 ? 1 
ATOM   927  C C    . PHE   A 1 65  ? -16.322 -22.48  -22.812 1   36.49  ? 77  PHE   A C    1 ? 1 
ATOM   928  O O    . PHE   A 1 65  ? -16.653 -22.33  -23.997 1   36.958 ? 77  PHE   A O    1 ? 1 
ATOM   929  C CB   . PHE   A 1 65  ? -13.832 -22.526 -22.824 1   32.444 ? 77  PHE   A CB   1 ? 1 
ATOM   930  C CG   . PHE   A 1 65  ? -13.713 -21.195 -22.121 1   31.363 ? 77  PHE   A CG   1 ? 1 
ATOM   931  C CD1  . PHE   A 1 65  ? -13.241 -21.102 -20.818 1   33.513 ? 77  PHE   A CD1  1 ? 1 
ATOM   932  C CD2  . PHE   A 1 65  ? -14.027 -20.025 -22.789 1   30.348 ? 77  PHE   A CD2  1 ? 1 
ATOM   933  C CE1  . PHE   A 1 65  ? -13.133 -19.839 -20.208 1   33.025 ? 77  PHE   A CE1  1 ? 1 
ATOM   934  C CE2  . PHE   A 1 65  ? -13.925 -18.776 -22.168 1   29.84  ? 77  PHE   A CE2  1 ? 1 
ATOM   935  C CZ   . PHE   A 1 65  ? -13.47  -18.692 -20.877 1   29.911 ? 77  PHE   A CZ   1 ? 1 
ATOM   936  H H    . PHE   A 1 65  ? -14.84  -24.563 -24.06  1   39.078 ? 77  PHE   A H    1 c 1 
ATOM   937  H HA   . PHE   A 1 65  ? -15.085 -23.498 -21.496 1   36.989 ? 77  PHE   A HA   1 c 1 
ATOM   938  H HB2  . PHE   A 1 65  ? -13.051 -23.078 -22.595 1   33.255 ? 77  PHE   A HB2  1 c 1 
ATOM   939  H HB3  . PHE   A 1 65  ? -13.821 -22.376 -23.796 1   32.256 ? 77  PHE   A HB3  1 c 1 
ATOM   940  H HD1  . PHE   A 1 65  ? -13.009 -21.883 -20.342 1   34.156 ? 77  PHE   A HD1  1 c 1 
ATOM   941  H HD2  . PHE   A 1 65  ? -14.345 -20.074 -23.676 1   30.231 ? 77  PHE   A HD2  1 c 1 
ATOM   942  H HE1  . PHE   A 1 65  ? -12.824 -19.782 -19.317 1   32.74  ? 77  PHE   A HE1  1 c 1 
ATOM   943  H HE2  . PHE   A 1 65  ? -14.155 -17.993 -22.642 1   29.101 ? 77  PHE   A HE2  1 c 1 
ATOM   944  H HZ   . PHE   A 1 65  ? -13.391 -17.852 -20.454 1   29.844 ? 77  PHE   A HZ   1 c 1 
ATOM   945  N N    . VAL   A 1 66  ? -16.962 -21.94  -21.773 1   36.242 ? 78  VAL   A N    1 ? 1 
ATOM   946  C CA   . VAL   A 1 66  ? -18.276 -21.319 -21.935 1   37.162 ? 78  VAL   A CA   1 ? 1 
ATOM   947  C C    . VAL   A 1 66  ? -18.214 -19.921 -21.356 1   34.356 ? 78  VAL   A C    1 ? 1 
ATOM   948  O O    . VAL   A 1 66  ? -17.662 -19.741 -20.274 1   36.155 ? 78  VAL   A O    1 ? 1 
ATOM   949  C CB   . VAL   A 1 66  ? -19.375 -22.125 -21.225 1   40.889 ? 78  VAL   A CB   1 ? 1 
ATOM   950  C CG1  . VAL   A 1 66  ? -20.715 -21.448 -21.332 1   41.512 ? 78  VAL   A CG1  1 ? 1 
ATOM   951  C CG2  . VAL   A 1 66  ? -19.45  -23.552 -21.747 1   42.734 ? 78  VAL   A CG2  1 ? 1 
ATOM   952  H H    . VAL   A 1 66  ? -16.576 -21.952 -20.944 1   36.729 ? 78  VAL   A H    1 c 1 
ATOM   953  H HA   . VAL   A 1 66  ? -18.486 -21.264 -22.883 1   36.66  ? 78  VAL   A HA   1 c 1 
ATOM   954  H HB   . VAL   A 1 66  ? -19.133 -22.166 -20.27  1   41.178 ? 78  VAL   A HB   1 c 1 
ATOM   955  H HG11 . VAL   A 1 66  ? -20.9   -21.241 -22.264 1   40.864 ? 78  VAL   A HG11 1 c 1 
ATOM   956  H HG12 . VAL   A 1 66  ? -20.709 -20.626 -20.814 1   40.958 ? 78  VAL   A HG12 1 c 1 
ATOM   957  H HG13 . VAL   A 1 66  ? -21.406 -22.039 -20.99  1   43.162 ? 78  VAL   A HG13 1 c 1 
ATOM   958  H HG21 . VAL   A 1 66  ? -20.21  -24.007 -21.345 1   44.424 ? 78  VAL   A HG21 1 c 1 
ATOM   959  H HG22 . VAL   A 1 66  ? -18.633 -24.026 -21.519 1   42.701 ? 78  VAL   A HG22 1 c 1 
ATOM   960  H HG23 . VAL   A 1 66  ? -19.556 -23.538 -22.713 1   42.3   ? 78  VAL   A HG23 1 c 1 
ATOM   961  N N    . PHE   A 1 67  ? -18.682 -18.938 -22.127 1   32.519 ? 79  PHE   A N    1 ? 1 
ATOM   962  C CA   . PHE   A 1 67  ? -18.746 -17.576 -21.614 1   31.78  ? 79  PHE   A CA   1 ? 1 
ATOM   963  C C    . PHE   A 1 67  ? -19.876 -16.823 -22.312 1   32.629 ? 79  PHE   A C    1 ? 1 
ATOM   964  O O    . PHE   A 1 67  ? -20.413 -17.273 -23.324 1   34.036 ? 79  PHE   A O    1 ? 1 
ATOM   965  C CB   . PHE   A 1 67  ? -17.397 -16.873 -21.819 1   30.419 ? 79  PHE   A CB   1 ? 1 
ATOM   966  C CG   . PHE   A 1 67  ? -17.083 -16.492 -23.266 1   30.063 ? 79  PHE   A CG   1 ? 1 
ATOM   967  C CD1  . PHE   A 1 67  ? -16.637 -17.458 -24.182 1   30.932 ? 79  PHE   A CD1  1 ? 1 
ATOM   968  C CD2  . PHE   A 1 67  ? -17.166 -15.159 -23.687 1   30.387 ? 79  PHE   A CD2  1 ? 1 
ATOM   969  C CE1  . PHE   A 1 67  ? -16.34  -17.091 -25.493 1   30.931 ? 79  PHE   A CE1  1 ? 1 
ATOM   970  C CE2  . PHE   A 1 67  ? -16.866 -14.8   -25.015 1   27.638 ? 79  PHE   A CE2  1 ? 1 
ATOM   971  C CZ   . PHE   A 1 67  ? -16.462 -15.777 -25.905 1   28.067 ? 79  PHE   A CZ   1 ? 1 
ATOM   972  H H    . PHE   A 1 67  ? -18.964 -19.111 -22.979 1   32.538 ? 79  PHE   A H    1 c 1 
ATOM   973  H HA   . PHE   A 1 67  ? -18.942 -17.611 -20.64  1   32.843 ? 79  PHE   A HA   1 c 1 
ATOM   974  H HB2  . PHE   A 1 67  ? -17.386 -16.058 -21.269 1   30.341 ? 79  PHE   A HB2  1 c 1 
ATOM   975  H HB3  . PHE   A 1 67  ? -16.685 -17.463 -21.486 1   30.359 ? 79  PHE   A HB3  1 c 1 
ATOM   976  H HD1  . PHE   A 1 67  ? -16.564 -18.361 -23.916 1   31.287 ? 79  PHE   A HD1  1 c 1 
ATOM   977  H HD2  . PHE   A 1 67  ? -17.457 -14.497 -23.079 1   30.135 ? 79  PHE   A HD2  1 c 1 
ATOM   978  H HE1  . PHE   A 1 67  ? -16.061 -17.75  -26.108 1   30.135 ? 79  PHE   A HE1  1 c 1 
ATOM   979  H HE2  . PHE   A 1 67  ? -16.944 -13.902 -25.294 1   27.809 ? 79  PHE   A HE2  1 c 1 
ATOM   980  H HZ   . PHE   A 1 67  ? -16.248 -15.542 -26.795 1   27.885 ? 79  PHE   A HZ   1 c 1 
ATOM   981  N N    . SER   A 1 68  ? -20.233 -15.679 -21.734 1   31.821 ? 80  SER   A N    1 ? 1 
ATOM   982  C CA   . SER   A 1 68  ? -21.238 -14.787 -22.28  1   32.263 ? 80  SER   A CA   1 ? 1 
ATOM   983  C C    . SER   A 1 68  ? -20.533 -13.715 -23.089 1   29.074 ? 80  SER   A C    1 ? 1 
ATOM   984  O O    . SER   A 1 68  ? -19.734 -12.982 -22.569 1   28.278 ? 80  SER   A O    1 ? 1 
ATOM   985  C CB   . SER   A 1 68  ? -22.074 -14.192 -21.21  1   34.822 ? 80  SER   A CB   1 ? 1 
ATOM   986  O OG   . SER   A 1 68  ? -22.776 -15.24  -20.562 1   41.433 ? 80  SER   A OG   1 ? 1 
ATOM   987  H H    . SER   A 1 68  ? -19.823 -15.44  -20.953 1   31.973 ? 80  SER   A H    1 c 1 
ATOM   988  H HA   . SER   A 1 68  ? -21.824 -15.307 -22.884 1   32.664 ? 80  SER   A HA   1 c 1 
ATOM   989  H HB2  . SER   A 1 68  ? -21.507 -13.724 -20.568 1   34.97  ? 80  SER   A HB2  1 c 1 
ATOM   990  H HB3  . SER   A 1 68  ? -22.706 -13.557 -21.597 1   35.71  ? 80  SER   A HB3  1 c 1 
ATOM   991  H HG   . SER   A 1 68  ? -23.235 -14.911 -19.928 0   20     ? 80  SER   A HG   1 c 1 
ATOM   992  N N    . LEU   A 1 69  ? -20.941 -13.566 -24.341 1   31.144 ? 81  LEU   A N    1 ? 1 
ATOM   993  C CA   . LEU   A 1 69  ? -20.213 -12.731 -25.274 1   29.494 ? 81  LEU   A CA   1 ? 1 
ATOM   994  C C    . LEU   A 1 69  ? -20.424 -11.253 -24.947 1   28.587 ? 81  LEU   A C    1 ? 1 
ATOM   995  O O    . LEU   A 1 69  ? -21.533 -10.818 -24.653 1   29.579 ? 81  LEU   A O    1 ? 1 
ATOM   996  C CB   . LEU   A 1 69  ? -20.693 -13.012 -26.693 1   31.859 ? 81  LEU   A CB   1 ? 1 
ATOM   997  C CG   . LEU   A 1 69  ? -19.934 -12.263 -27.79  1   32.744 ? 81  LEU   A CG   1 ? 1 
ATOM   998  C CD1  . LEU   A 1 69  ? -18.526 -12.774 -27.998 1   32.137 ? 81  LEU   A CD1  1 ? 1 
ATOM   999  C CD2  . LEU   A 1 69  ? -20.743 -12.292 -29.086 1   37.013 ? 81  LEU   A CD2  1 ? 1 
ATOM   1000 H H    . LEU   A 1 69  ? -21.697 -13.994 -24.627 1   31.411 ? 81  LEU   A H    1 c 1 
ATOM   1001 H HA   . LEU   A 1 69  ? -19.249 -12.947 -25.204 1   28.49  ? 81  LEU   A HA   1 c 1 
ATOM   1002 H HB2  . LEU   A 1 69  ? -20.611 -13.979 -26.861 1   31.695 ? 81  LEU   A HB2  1 c 1 
ATOM   1003 H HB3  . LEU   A 1 69  ? -21.646 -12.77  -26.75  1   32.903 ? 81  LEU   A HB3  1 c 1 
ATOM   1004 H HG   . LEU   A 1 69  ? -19.862 -11.314 -27.514 1   32.776 ? 81  LEU   A HG   1 c 1 
ATOM   1005 H HD11 . LEU   A 1 69  ? -18.009 -12.643 -27.185 1   31.402 ? 81  LEU   A HD11 1 c 1 
ATOM   1006 H HD12 . LEU   A 1 69  ? -18.108 -12.289 -28.728 1   31.755 ? 81  LEU   A HD12 1 c 1 
ATOM   1007 H HD13 . LEU   A 1 69  ? -18.552 -13.722 -28.213 1   32.225 ? 81  LEU   A HD13 1 c 1 
ATOM   1008 H HD21 . LEU   A 1 69  ? -21.602 -11.864 -28.942 1   37.03  ? 81  LEU   A HD21 1 c 1 
ATOM   1009 H HD22 . LEU   A 1 69  ? -20.882 -13.213 -29.36  1   36.588 ? 81  LEU   A HD22 1 c 1 
ATOM   1010 H HD23 . LEU   A 1 69  ? -20.258 -11.817 -29.782 1   35.885 ? 81  LEU   A HD23 1 c 1 
ATOM   1011 N N    . GLY   A 1 70  ? -19.325 -10.506 -24.985 1   27.598 ? 82  GLY   A N    1 ? 1 
ATOM   1012 C CA   . GLY   A 1 70  ? -19.358 -9.065  -25.052 1   29.846 ? 82  GLY   A CA   1 ? 1 
ATOM   1013 C C    . GLY   A 1 70  ? -19.611 -8.396  -23.714 1   31.756 ? 82  GLY   A C    1 ? 1 
ATOM   1014 O O    . GLY   A 1 70  ? -19.945 -7.212  -23.716 1   33.852 ? 82  GLY   A O    1 ? 1 
ATOM   1015 H H    . GLY   A 1 70  ? -18.511 -10.92  -24.964 1   26.972 ? 82  GLY   A H    1 c 1 
ATOM   1016 H HA2  . GLY   A 1 70  ? -18.501 -8.745  -25.415 1   28.843 ? 82  GLY   A HA2  1 c 1 
ATOM   1017 H HA3  . GLY   A 1 70  ? -20.065 -8.796  -25.683 1   30.316 ? 82  GLY   A HA3  1 c 1 
ATOM   1018 N N    . LYS   A 1 71  ? -19.294 -9.149  -22.629 1   31.76  ? 83  LYS   A N    1 ? 1 
ATOM   1019 C CA   . LYS   A 1 71  ? -19.329 -8.644  -21.268 1   33.897 ? 83  LYS   A CA   1 ? 1 
ATOM   1020 C C    . LYS   A 1 71  ? -17.941 -8.501  -20.627 1   31.186 ? 83  LYS   A C    1 ? 1 
ATOM   1021 O O    . LYS   A 1 71  ? -17.795 -8.094  -19.467 1   33.894 ? 83  LYS   A O    1 ? 1 
ATOM   1022 C CB   . LYS   A 1 71  ? -20.212 -9.598  -20.48  1   36.144 ? 83  LYS   A CB   1 ? 1 
ATOM   1023 C CG   . LYS   A 1 71  ? -21.66  -9.558  -20.914 1   43.123 ? 83  LYS   A CG   1 ? 1 
ATOM   1024 C CD   . LYS   A 1 71  ? -22.57  -10.244 -19.912 1   50.697 ? 83  LYS   A CD   1 ? 1 
ATOM   1025 C CE   . LYS   A 1 71  ? -24.025 -10.151 -20.162 1   57.507 ? 83  LYS   A CE   1 ? 1 
ATOM   1026 N NZ   . LYS   A 1 71  ? -24.654 -11.299 -19.488 1   62.189 ? 83  LYS   A NZ   1 ? 1 
ATOM   1027 H H    . LYS   A 1 71  ? -19.038 -10.017 -22.757 1   31.268 ? 83  LYS   A H    1 c 1 
ATOM   1028 H HA   . LYS   A 1 71  ? -19.762 -7.753  -21.276 1   34.554 ? 83  LYS   A HA   1 c 1 
ATOM   1029 H HB2  . LYS   A 1 71  ? -19.876 -10.513 -20.588 1   35.803 ? 83  LYS   A HB2  1 c 1 
ATOM   1030 H HB3  . LYS   A 1 71  ? -20.163 -9.368  -19.527 1   37.811 ? 83  LYS   A HB3  1 c 1 
ATOM   1031 H HG2  . LYS   A 1 71  ? -21.936 -8.621  -21.016 1   43.315 ? 83  LYS   A HG2  1 c 1 
ATOM   1032 H HG3  . LYS   A 1 71  ? -21.743 -10.001 -21.787 1   41.464 ? 83  LYS   A HG3  1 c 1 
ATOM   1033 H HD2  . LYS   A 1 71  ? -22.319 -11.194 -19.879 1   49.529 ? 83  LYS   A HD2  1 c 1 
ATOM   1034 H HD3  . LYS   A 1 71  ? -22.383 -9.87   -19.023 1   50.892 ? 83  LYS   A HD3  1 c 1 
ATOM   1035 H HE2  . LYS   A 1 71  ? -24.381 -9.321  -19.798 1   58.051 ? 83  LYS   A HE2  1 c 1 
ATOM   1036 H HE3  . LYS   A 1 71  ? -24.212 -10.187 -21.117 1   56.454 ? 83  LYS   A HE3  1 c 1 
ATOM   1037 H HZ1  . LYS   A 1 71  ? -24.376 -11.344 -18.626 1   61.811 ? 83  LYS   A HZ1  1 c 1 
ATOM   1038 H HZ2  . LYS   A 1 71  ? -24.432 -12.068 -19.914 1   60.41  ? 83  LYS   A HZ2  1 c 1 
ATOM   1039 H HZ3  . LYS   A 1 71  ? -25.554 -11.203 -19.503 1   62.81  ? 83  LYS   A HZ3  1 c 1 
ATOM   1040 N N    . GLY   A 1 72  ? -16.872 -8.607  -21.384 1   30.701 ? 84  GLY   A N    1 ? 1 
ATOM   1041 C CA   . GLY   A 1 72  ? -15.55  -8.482  -20.78  1   31.779 ? 84  GLY   A CA   1 ? 1 
ATOM   1042 C C    . GLY   A 1 72  ? -15.212 -9.64   -19.82  1   30.902 ? 84  GLY   A C    1 ? 1 
ATOM   1043 O O    . GLY   A 1 72  ? -14.243 -9.499  -19.089 1   32.188 ? 84  GLY   A O    1 ? 1 
ATOM   1044 H H    . GLY   A 1 72  ? -16.946 -8.755  -22.283 1   30.131 ? 84  GLY   A H    1 c 1 
ATOM   1045 H HA2  . GLY   A 1 72  ? -14.876 -8.452  -21.499 1   30.448 ? 84  GLY   A HA2  1 c 1 
ATOM   1046 H HA3  . GLY   A 1 72  ? -15.501 -7.628  -20.29  1   32.074 ? 84  GLY   A HA3  1 c 1 
ATOM   1047 N N    . GLN   A 1 73  ? -15.919 -10.787 -19.916 1   29.29  ? 85  GLN   A N    1 ? 1 
ATOM   1048 C CA   . GLN   A 1 73  ? -15.607 -11.992 -19.167 1   28.131 ? 85  GLN   A CA   1 ? 1 
ATOM   1049 C C    . GLN   A 1 73  ? -14.356 -12.686 -19.696 1   27.825 ? 85  GLN   A C    1 ? 1 
ATOM   1050 O O    . GLN   A 1 73  ? -13.777 -13.553 -19.047 1   27.219 ? 85  GLN   A O    1 ? 1 
ATOM   1051 C CB   . GLN   A 1 73  ? -16.705 -13.05  -19.254 1   27.624 ? 85  GLN   A CB   1 ? 1 
ATOM   1052 C CG   . GLN   A 1 73  ? -17.993 -12.642 -18.578 1   32.669 ? 85  GLN   A CG   1 ? 1 
ATOM   1053 C CD   . GLN   A 1 73  ? -19.083 -13.687 -18.663 1   34.483 ? 85  GLN   A CD   1 ? 1 
ATOM   1054 O OE1  . GLN   A 1 73  ? -18.951 -14.802 -19.217 1   34.775 ? 85  GLN   A OE1  1 ? 1 
ATOM   1055 N NE2  . GLN   A 1 73  ? -20.202 -13.28  -18.079 1   38.782 ? 85  GLN   A NE2  1 ? 1 
ATOM   1056 H H    . GLN   A 1 73  ? -16.626 -10.816 -20.494 1   29.621 ? 85  GLN   A H    1 c 1 
ATOM   1057 H HA   . GLN   A 1 73  ? -15.462 -11.746 -18.218 1   28.802 ? 85  GLN   A HA   1 c 1 
ATOM   1058 H HB2  . GLN   A 1 73  ? -16.887 -13.238 -20.199 1   27.565 ? 85  GLN   A HB2  1 c 1 
ATOM   1059 H HB3  . GLN   A 1 73  ? -16.381 -13.878 -18.843 1   28.294 ? 85  GLN   A HB3  1 c 1 
ATOM   1060 H HG2  . GLN   A 1 73  ? -17.814 -12.454 -17.632 1   32.911 ? 85  GLN   A HG2  1 c 1 
ATOM   1061 H HG3  . GLN   A 1 73  ? -18.322 -11.813 -18.987 1   31.926 ? 85  GLN   A HG3  1 c 1 
ATOM   1062 H HE21 . GLN   A 1 73  ? -20.922 -13.798 -18.1   1   39.042 ? 85  GLN   A HE21 1 c 1 
ATOM   1063 H HE22 . GLN   A 1 73  ? -20.232 -12.495 -17.667 1   38.536 ? 85  GLN   A HE22 1 c 1 
ATOM   1064 N N    . VAL   A 1 74  ? -13.957 -12.252 -20.886 1   25.179 ? 86  VAL   A N    1 ? 1 
ATOM   1065 C CA   . VAL   A 1 74  ? -12.743 -12.663 -21.556 1   24.179 ? 86  VAL   A CA   1 ? 1 
ATOM   1066 C C    . VAL   A 1 74  ? -12.015 -11.424 -22.052 1   23.103 ? 86  VAL   A C    1 ? 1 
ATOM   1067 O O    . VAL   A 1 74  ? -12.544 -10.32  -21.974 1   23.881 ? 86  VAL   A O    1 ? 1 
ATOM   1068 C CB   . VAL   A 1 74  ? -13.078 -13.626 -22.705 1   24.823 ? 86  VAL   A CB   1 ? 1 
ATOM   1069 C CG1  . VAL   A 1 74  ? -13.563 -14.981 -22.2   1   27.732 ? 86  VAL   A CG1  1 ? 1 
ATOM   1070 C CG2  . VAL   A 1 74  ? -14.084 -12.972 -23.652 1   26.931 ? 86  VAL   A CG2  1 ? 1 
ATOM   1071 H H    . VAL   A 1 74  ? -14.493 -11.654 -21.322 1   25.561 ? 86  VAL   A H    1 c 1 
ATOM   1072 H HA   . VAL   A 1 74  ? -12.172 -13.126 -20.914 1   24.367 ? 86  VAL   A HA   1 c 1 
ATOM   1073 H HB   . VAL   A 1 74  ? -12.245 -13.776 -23.21  1   24.548 ? 86  VAL   A HB   1 c 1 
ATOM   1074 H HG11 . VAL   A 1 74  ? -14.374 -14.863 -21.678 1   27.995 ? 86  VAL   A HG11 1 c 1 
ATOM   1075 H HG12 . VAL   A 1 74  ? -12.876 -15.385 -21.643 1   27.301 ? 86  VAL   A HG12 1 c 1 
ATOM   1076 H HG13 . VAL   A 1 74  ? -13.747 -15.563 -22.957 1   27.237 ? 86  VAL   A HG13 1 c 1 
ATOM   1077 H HG21 . VAL   A 1 74  ? -14.251 -13.564 -24.404 1   26.23  ? 86  VAL   A HG21 1 c 1 
ATOM   1078 H HG22 . VAL   A 1 74  ? -13.726 -12.13  -23.98  1   26.141 ? 86  VAL   A HG22 1 c 1 
ATOM   1079 H HG23 . VAL   A 1 74  ? -14.919 -12.808 -23.183 1   27.033 ? 86  VAL   A HG23 1 c 1 
ATOM   1080 N N    . ILE   A 1 75  ? -10.745 -11.587 -22.44  1   21.71  ? 87  ILE   A N    1 ? 1 
ATOM   1081 C CA   . ILE   A 1 75  ? -10.004 -10.468 -23.028 1   22.533 ? 87  ILE   A CA   1 ? 1 
ATOM   1082 C C    . ILE   A 1 75  ? -10.759 -9.899  -24.243 1   23.867 ? 87  ILE   A C    1 ? 1 
ATOM   1083 O O    . ILE   A 1 75  ? -11.555 -10.61  -24.859 1   23.472 ? 87  ILE   A O    1 ? 1 
ATOM   1084 C CB   . ILE   A 1 75  ? -8.583  -10.923 -23.407 1   23.143 ? 87  ILE   A CB   1 ? 1 
ATOM   1085 C CG1  . ILE   A 1 75  ? -8.563  -12.155 -24.348 1   24.312 ? 87  ILE   A CG1  1 ? 1 
ATOM   1086 C CG2  . ILE   A 1 75  ? -7.711  -11.184 -22.178 1   23.846 ? 87  ILE   A CG2  1 ? 1 
ATOM   1087 C CD1  . ILE   A 1 75  ? -7.189  -12.431 -24.933 1   24.483 ? 87  ILE   A CD1  1 ? 1 
ATOM   1088 H H    . ILE   A 1 75  ? -10.331 -12.393 -22.326 1   22.033 ? 87  ILE   A H    1 c 1 
ATOM   1089 H HA   . ILE   A 1 75  ? -9.929  -9.765  -22.353 1   23.039 ? 87  ILE   A HA   1 c 1 
ATOM   1090 H HB   . ILE   A 1 75  ? -8.172  -10.185 -23.898 1   23.216 ? 87  ILE   A HB   1 c 1 
ATOM   1091 H HG12 . ILE   A 1 75  ? -8.855  -12.944 -23.847 1   24.288 ? 87  ILE   A HG12 1 c 1 
ATOM   1092 H HG13 . ILE   A 1 75  ? -9.196  -12.01  -25.079 1   23.952 ? 87  ILE   A HG13 1 c 1 
ATOM   1093 H HG21 . ILE   A 1 75  ? -6.793  -11.344 -22.454 1   23.713 ? 87  ILE   A HG21 1 c 1 
ATOM   1094 H HG22 . ILE   A 1 75  ? -8.044  -11.963 -21.7   1   23.894 ? 87  ILE   A HG22 1 c 1 
ATOM   1095 H HG23 . ILE   A 1 75  ? -7.738  -10.41  -21.59  1   24.201 ? 87  ILE   A HG23 1 c 1 
ATOM   1096 H HD11 . ILE   A 1 75  ? -6.853  -11.625 -25.37  1   24.383 ? 87  ILE   A HD11 1 c 1 
ATOM   1097 H HD12 . ILE   A 1 75  ? -7.258  -13.15  -25.591 1   24.568 ? 87  ILE   A HD12 1 c 1 
ATOM   1098 H HD13 . ILE   A 1 75  ? -6.571  -12.698 -24.228 1   24.66  ? 87  ILE   A HD13 1 c 1 
ATOM   1099 N N    . LYS   A 1 76  ? -10.497 -8.601  -24.525 1   23.107 ? 88  LYS   A N    1 ? 1 
ATOM   1100 C CA   . LYS   A 1 76  ? -11.186 -7.837  -25.56  1   24.454 ? 88  LYS   A CA   1 ? 1 
ATOM   1101 C C    . LYS   A 1 76  ? -11.116 -8.628  -26.864 1   24.556 ? 88  LYS   A C    1 ? 1 
ATOM   1102 O O    . LYS   A 1 76  ? -12.109 -8.683  -27.582 1   25.529 ? 88  LYS   A O    1 ? 1 
ATOM   1103 C CB   . LYS   A 1 76  ? -10.558 -6.437  -25.652 1   27.863 ? 88  LYS   A CB   1 ? 1 
ATOM   1104 H H    . LYS   A 1 76  ? -9.849  -8.178  -24.038 1   23.675 ? 88  LYS   A H    1 c 1 
ATOM   1105 H HA   . LYS   A 1 76  ? -12.137 -7.744  -25.296 1   24.975 ? 88  LYS   A HA   1 c 1 
ATOM   1106 H HB2  . LYS   A 1 76  ? -9.638  -6.485  -25.625 0   20     ? 88  LYS   A HB2  1 c 1 
ATOM   1107 H HB3  . LYS   A 1 76  ? -11.361 -5.79   -25.664 0   20     ? 88  LYS   A HB3  1 c 1 
ATOM   1108 N N    . ALA   A 1 77  ? -9.96   -9.234  -27.171 1   24.626 ? 89  ALA   A N    1 ? 1 
ATOM   1109 C CA   . ALA   A 1 77  ? -9.785  -9.908  -28.473 1   25.319 ? 89  ALA   A CA   1 ? 1 
ATOM   1110 C C    . ALA   A 1 77  ? -10.775 -11.041 -28.668 1   25.242 ? 89  ALA   A C    1 ? 1 
ATOM   1111 O O    . ALA   A 1 77  ? -11.185 -11.354 -29.802 1   26.487 ? 89  ALA   A O    1 ? 1 
ATOM   1112 C CB   . ALA   A 1 77  ? -8.387  -10.384 -28.636 1   25.256 ? 89  ALA   A CB   1 ? 1 
ATOM   1113 H H    . ALA   A 1 77  ? -9.265  -9.224  -26.577 1   24.386 ? 89  ALA   A H    1 c 1 
ATOM   1114 H HA   . ALA   A 1 77  ? -9.966  -9.231  -29.183 1   25.823 ? 89  ALA   A HA   1 c 1 
ATOM   1115 H HB1  . ALA   A 1 77  ? -7.782  -9.624  -28.642 1   25.533 ? 89  ALA   A HB1  1 c 1 
ATOM   1116 H HB2  . ALA   A 1 77  ? -8.155  -10.973 -27.899 1   24.96  ? 89  ALA   A HB2  1 c 1 
ATOM   1117 H HB3  . ALA   A 1 77  ? -8.302  -10.869 -29.474 1   25.659 ? 89  ALA   A HB3  1 c 1 
ATOM   1118 N N    . TRP   A 1 78  ? -11.17  -11.71  -27.574 1   24.865 ? 90  TRP   A N    1 ? 1 
ATOM   1119 C CA   . TRP   A 1 78  ? -12.136 -12.779 -27.697 1   24.64  ? 90  TRP   A CA   1 ? 1 
ATOM   1120 C C    . TRP   A 1 78  ? -13.529 -12.226 -27.96  1   24.753 ? 90  TRP   A C    1 ? 1 
ATOM   1121 O O    . TRP   A 1 78  ? -14.304 -12.789 -28.749 1   26.043 ? 90  TRP   A O    1 ? 1 
ATOM   1122 C CB   . TRP   A 1 78  ? -12.124 -13.697 -26.461 1   24.462 ? 90  TRP   A CB   1 ? 1 
ATOM   1123 C CG   . TRP   A 1 78  ? -11.177 -14.854 -26.589 1   24.321 ? 90  TRP   A CG   1 ? 1 
ATOM   1124 C CD1  . TRP   A 1 78  ? -9.849  -14.852 -26.927 1   25.802 ? 90  TRP   A CD1  1 ? 1 
ATOM   1125 C CD2  . TRP   A 1 78  ? -11.526 -16.227 -26.339 1   24.767 ? 90  TRP   A CD2  1 ? 1 
ATOM   1126 N NE1  . TRP   A 1 78  ? -9.366  -16.13  -26.888 1   25.565 ? 90  TRP   A NE1  1 ? 1 
ATOM   1127 C CE2  . TRP   A 1 78  ? -10.37  -16.995 -26.568 1   25.323 ? 90  TRP   A CE2  1 ? 1 
ATOM   1128 C CE3  . TRP   A 1 78  ? -12.728 -16.868 -26.027 1   25.619 ? 90  TRP   A CE3  1 ? 1 
ATOM   1129 C CZ2  . TRP   A 1 78  ? -10.356 -18.365 -26.367 1   26.507 ? 90  TRP   A CZ2  1 ? 1 
ATOM   1130 C CZ3  . TRP   A 1 78  ? -12.732 -18.246 -25.88  1   27.363 ? 90  TRP   A CZ3  1 ? 1 
ATOM   1131 C CH2  . TRP   A 1 78  ? -11.551 -18.981 -26.049 1   26.909 ? 90  TRP   A CH2  1 ? 1 
ATOM   1132 H H    . TRP   A 1 78  ? -10.829 -11.503 -26.752 1   24.55  ? 90  TRP   A H    1 c 1 
ATOM   1133 H HA   . TRP   A 1 78  ? -11.876 -13.333 -28.483 1   24.758 ? 90  TRP   A HA   1 c 1 
ATOM   1134 H HB2  . TRP   A 1 78  ? -11.874 -13.166 -25.675 1   24.278 ? 90  TRP   A HB2  1 c 1 
ATOM   1135 H HB3  . TRP   A 1 78  ? -13.03  -14.044 -26.32  1   24.806 ? 90  TRP   A HB3  1 c 1 
ATOM   1136 H HD1  . TRP   A 1 78  ? -9.327  -14.088 -27.116 1   25.022 ? 90  TRP   A HD1  1 c 1 
ATOM   1137 H HE1  . TRP   A 1 78  ? -8.546  -16.355 -27.056 1   25.545 ? 90  TRP   A HE1  1 c 1 
ATOM   1138 H HE3  . TRP   A 1 78  ? -13.515 -16.368 -25.894 1   25.59  ? 90  TRP   A HE3  1 c 1 
ATOM   1139 H HZ2  . TRP   A 1 78  ? -9.574  -18.869 -26.517 1   26.672 ? 90  TRP   A HZ2  1 c 1 
ATOM   1140 H HZ3  . TRP   A 1 78  ? -13.526 -18.688 -25.63  1   27.675 ? 90  TRP   A HZ3  1 c 1 
ATOM   1141 H HH2  . TRP   A 1 78  ? -11.571 -19.916 -25.943 1   28.101 ? 90  TRP   A HH2  1 c 1 
ATOM   1142 N N    . ASP   A 1 79  ? -13.9   -11.175 -27.217 1   23.885 ? 91  ASP   A N    1 ? 1 
ATOM   1143 C CA   . ASP   A 1 79  ? -15.206 -10.56  -27.441 1   25.213 ? 91  ASP   A CA   1 ? 1 
ATOM   1144 C C    . ASP   A 1 79  ? -15.317 -10.115 -28.895 1   26.938 ? 91  ASP   A C    1 ? 1 
ATOM   1145 O O    . ASP   A 1 79  ? -16.367 -10.381 -29.511 1   27.836 ? 91  ASP   A O    1 ? 1 
ATOM   1146 C CB   . ASP   A 1 79  ? -15.471 -9.467  -26.432 1   26.436 ? 91  ASP   A CB   1 ? 1 
ATOM   1147 C CG   . ASP   A 1 79  ? -16.023 -9.943  -25.088 1   27.626 ? 91  ASP   A CG   1 ? 1 
ATOM   1148 O OD1  . ASP   A 1 79  ? -16.541 -11.057 -25.024 1   25.753 ? 91  ASP   A OD1  1 ? 1 
ATOM   1149 O OD2  . ASP   A 1 79  ? -15.925 -9.144  -24.113 1   26.95  ? 91  ASP   A OD2  1 ? 1 
ATOM   1150 H H    . ASP   A 1 79  ? -13.348 -10.843 -26.569 1   23.675 ? 91  ASP   A H    1 c 1 
ATOM   1151 H HA   . ASP   A 1 79  ? -15.889 -11.252 -27.292 1   25.537 ? 91  ASP   A HA   1 c 1 
ATOM   1152 H HB2  . ASP   A 1 79  ? -14.638 -8.98   -26.265 1   26.026 ? 91  ASP   A HB2  1 c 1 
ATOM   1153 H HB3  . ASP   A 1 79  ? -16.115 -8.835  -26.815 1   27.122 ? 91  ASP   A HB3  1 c 1 
ATOM   1154 N N    . ILE   A 1 80  ? -14.245 -9.503  -29.413 1   25.375 ? 92  ILE   A N    1 ? 1 
ATOM   1155 C CA   . ILE   A 1 80  ? -14.23  -9.073  -30.828 1   26.602 ? 92  ILE   A CA   1 ? 1 
ATOM   1156 C C    . ILE   A 1 80  ? -14.235 -10.272 -31.769 1   27.225 ? 92  ILE   A C    1 ? 1 
ATOM   1157 O O    . ILE   A 1 80  ? -14.978 -10.298 -32.753 1   30.094 ? 92  ILE   A O    1 ? 1 
ATOM   1158 C CB   . ILE   A 1 80  ? -13.023 -8.148  -31.137 1   26.904 ? 92  ILE   A CB   1 ? 1 
ATOM   1159 C CG1  . ILE   A 1 80  ? -13.094 -6.844  -30.343 1   29.245 ? 92  ILE   A CG1  1 ? 1 
ATOM   1160 C CG2  . ILE   A 1 80  ? -12.901 -7.848  -32.624 1   30.866 ? 92  ILE   A CG2  1 ? 1 
ATOM   1161 C CD1  . ILE   A 1 80  ? -11.747 -6.146  -30.17  1   31.091 ? 92  ILE   A CD1  1 ? 1 
ATOM   1162 H H    . ILE   A 1 80  ? -13.513 -9.339  -28.89  1   25.032 ? 92  ILE   A H    1 c 1 
ATOM   1163 H HA   . ILE   A 1 80  ? -15.046 -8.561  -30.991 1   27.308 ? 92  ILE   A HA   1 c 1 
ATOM   1164 H HB   . ILE   A 1 80  ? -12.212 -8.619  -30.859 1   26.948 ? 92  ILE   A HB   1 c 1 
ATOM   1165 H HG12 . ILE   A 1 80  ? -13.708 -6.232  -30.799 1   29.895 ? 92  ILE   A HG12 1 c 1 
ATOM   1166 H HG13 . ILE   A 1 80  ? -13.465 -7.033  -29.457 1   28.743 ? 92  ILE   A HG13 1 c 1 
ATOM   1167 H HG21 . ILE   A 1 80  ? -12.221 -7.168  -32.765 1   30.484 ? 92  ILE   A HG21 1 c 1 
ATOM   1168 H HG22 . ILE   A 1 80  ? -13.753 -7.526  -32.963 1   30.936 ? 92  ILE   A HG22 1 c 1 
ATOM   1169 H HG23 . ILE   A 1 80  ? -12.648 -8.655  -33.102 1   30.159 ? 92  ILE   A HG23 1 c 1 
ATOM   1170 H HD11 . ILE   A 1 80  ? -11.126 -6.744  -29.712 1   29.991 ? 92  ILE   A HD11 1 c 1 
ATOM   1171 H HD12 . ILE   A 1 80  ? -11.866 -5.336  -29.639 1   31.072 ? 92  ILE   A HD12 1 c 1 
ATOM   1172 H HD13 . ILE   A 1 80  ? -11.382 -5.909  -31.043 1   31.417 ? 92  ILE   A HD13 1 c 1 
ATOM   1173 N N    . GLY   A 1 81  ? -13.345 -11.226 -31.534 1   26.481 ? 93  GLY   A N    1 ? 1 
ATOM   1174 C CA   . GLY   A 1 81  ? -13.074 -12.27  -32.518 1   26.405 ? 93  GLY   A CA   1 ? 1 
ATOM   1175 C C    . GLY   A 1 81  ? -14.169 -13.319 -32.58  1   28.969 ? 93  GLY   A C    1 ? 1 
ATOM   1176 O O    . GLY   A 1 81  ? -14.564 -13.779 -33.665 1   30.671 ? 93  GLY   A O    1 ? 1 
ATOM   1177 H H    . GLY   A 1 81  ? -12.889 -11.236 -30.742 1   25.79  ? 93  GLY   A H    1 c 1 
ATOM   1178 H HA2  . GLY   A 1 81  ? -12.973 -11.856 -33.403 1   27.214 ? 93  GLY   A HA2  1 c 1 
ATOM   1179 H HA3  . GLY   A 1 81  ? -12.219 -12.706 -32.291 1   26.506 ? 93  GLY   A HA3  1 c 1 
ATOM   1180 N N    . VAL   A 1 82  ? -14.634 -13.762 -31.404 1   27.527 ? 94  VAL   A N    1 ? 1 
ATOM   1181 C CA   . VAL   A 1 82  ? -15.643 -14.789 -31.406 1   28.966 ? 94  VAL   A CA   1 ? 1 
ATOM   1182 C C    . VAL   A 1 82  ? -16.94  -14.25  -32.03  1   30.556 ? 94  VAL   A C    1 ? 1 
ATOM   1183 O O    . VAL   A 1 82  ? -17.677 -15.012 -32.655 1   33.227 ? 94  VAL   A O    1 ? 1 
ATOM   1184 C CB   . VAL   A 1 82  ? -15.812 -15.38  -29.998 1   28.954 ? 94  VAL   A CB   1 ? 1 
ATOM   1185 C CG1  . VAL   A 1 82  ? -17.004 -16.307 -29.919 1   31.998 ? 94  VAL   A CG1  1 ? 1 
ATOM   1186 C CG2  . VAL   A 1 82  ? -14.591 -16.18  -29.605 1   29.038 ? 94  VAL   A CG2  1 ? 1 
ATOM   1187 H H    . VAL   A 1 82  ? -14.321 -13.428 -30.612 1   27.272 ? 94  VAL   A H    1 c 1 
ATOM   1188 H HA   . VAL   A 1 82  ? -15.321 -15.509 -31.982 1   29.377 ? 94  VAL   A HA   1 c 1 
ATOM   1189 H HB   . VAL   A 1 82  ? -15.937 -14.635 -29.366 1   28.795 ? 94  VAL   A HB   1 c 1 
ATOM   1190 H HG11 . VAL   A 1 82  ? -16.952 -16.966 -30.631 1   32.264 ? 94  VAL   A HG11 1 c 1 
ATOM   1191 H HG12 . VAL   A 1 82  ? -17.824 -15.794 -30.01  1   32.042 ? 94  VAL   A HG12 1 c 1 
ATOM   1192 H HG13 . VAL   A 1 82  ? -17.002 -16.76  -29.06  1   31.383 ? 94  VAL   A HG13 1 c 1 
ATOM   1193 H HG21 . VAL   A 1 82  ? -14.715 -16.545 -28.713 1   28.589 ? 94  VAL   A HG21 1 c 1 
ATOM   1194 H HG22 . VAL   A 1 82  ? -13.809 -15.603 -29.611 1   28.357 ? 94  VAL   A HG22 1 c 1 
ATOM   1195 H HG23 . VAL   A 1 82  ? -14.462 -16.907 -30.236 1   29.572 ? 94  VAL   A HG23 1 c 1 
ATOM   1196 N N    . ALA   A 1 83  ? -17.216 -12.93  -31.878 1   30.242 ? 95  ALA   A N    1 ? 1 
ATOM   1197 C CA   . ALA   A 1 83  ? -18.391 -12.293 -32.465 1   31.432 ? 95  ALA   A CA   1 ? 1 
ATOM   1198 C C    . ALA   A 1 83  ? -18.395 -12.418 -33.988 1   34.526 ? 95  ALA   A C    1 ? 1 
ATOM   1199 O O    . ALA   A 1 83  ? -19.456 -12.258 -34.615 1   39.286 ? 95  ALA   A O    1 ? 1 
ATOM   1200 C CB   . ALA   A 1 83  ? -18.46  -10.827 -32.066 1   30.926 ? 95  ALA   A CB   1 ? 1 
ATOM   1201 H H    . ALA   A 1 83  ? -16.648 -12.416 -31.38  1   29.724 ? 95  ALA   A H    1 c 1 
ATOM   1202 H HA   . ALA   A 1 83  ? -19.199 -12.759 -32.116 1   32.019 ? 95  ALA   A HA   1 c 1 
ATOM   1203 H HB1  . ALA   A 1 83  ? -18.532 -10.754 -31.099 1   30.265 ? 95  ALA   A HB1  1 c 1 
ATOM   1204 H HB2  . ALA   A 1 83  ? -17.655 -10.369 -32.362 1   30.704 ? 95  ALA   A HB2  1 c 1 
ATOM   1205 H HB3  . ALA   A 1 83  ? -19.236 -10.412 -32.478 1   32.036 ? 95  ALA   A HB3  1 c 1 
ATOM   1206 N N    . THR   A 1 84  ? -17.229 -12.663 -34.591 1   33.674 ? 96  THR   A N    1 ? 1 
ATOM   1207 C CA   . THR   A 1 84  ? -17.168 -12.732 -36.054 1   35.952 ? 96  THR   A CA   1 ? 1 
ATOM   1208 C C    . THR   A 1 84  ? -17.402 -14.141 -36.572 1   37.157 ? 96  THR   A C    1 ? 1 
ATOM   1209 O O    . THR   A 1 84  ? -17.409 -14.305 -37.792 1   41.024 ? 96  THR   A O    1 ? 1 
ATOM   1210 C CB   . THR   A 1 84  ? -15.822 -12.245 -36.595 1   35.785 ? 96  THR   A CB   1 ? 1 
ATOM   1211 O OG1  . THR   A 1 84  ? -14.839 -13.224 -36.25  1   36.057 ? 96  THR   A OG1  1 ? 1 
ATOM   1212 C CG2  . THR   A 1 84  ? -15.491 -10.84  -36.13  1   37.632 ? 96  THR   A CG2  1 ? 1 
ATOM   1213 H H    . THR   A 1 84  ? -16.462 -12.766 -34.106 1   32.944 ? 96  THR   A H    1 c 1 
ATOM   1214 H HA   . THR   A 1 84  ? -17.87  -12.149 -36.418 1   36.713 ? 96  THR   A HA   1 c 1 
ATOM   1215 H HB   . THR   A 1 84  ? -15.886 -12.207 -37.579 1   37.057 ? 96  THR   A HB   1 c 1 
ATOM   1216 H HG1  . THR   A 1 84  ? -14.797 -13.292 -35.387 0   20     ? 96  THR   A HG1  1 c 1 
ATOM   1217 H HG21 . THR   A 1 84  ? -14.653 -10.555 -36.531 1   37.205 ? 96  THR   A HG21 1 c 1 
ATOM   1218 H HG22 . THR   A 1 84  ? -15.407 -10.83  -35.163 1   36.348 ? 96  THR   A HG22 1 c 1 
ATOM   1219 H HG23 . THR   A 1 84  ? -16.201 -10.234 -36.4   1   37.641 ? 96  THR   A HG23 1 c 1 
ATOM   1220 N N    . MET   A 1 85  ? -17.498 -15.138 -35.693 1   38.44  ? 97  MET   A N    1 ? 1 
ATOM   1221 C CA   . MET   A 1 85  ? -17.378 -16.525 -36.128 1   36.933 ? 97  MET   A CA   1 ? 1 
ATOM   1222 C C    . MET   A 1 85  ? -18.761 -17.149 -36.278 1   39.532 ? 97  MET   A C    1 ? 1 
ATOM   1223 O O    . MET   A 1 85  ? -19.711 -16.787 -35.562 1   40.823 ? 97  MET   A O    1 ? 1 
ATOM   1224 C CB   . MET   A 1 85  ? -16.633 -17.336 -35.055 1   36.02  ? 97  MET   A CB   1 ? 1 
ATOM   1225 C CG   . MET   A 1 85  ? -15.214 -16.925 -34.871 1   35.624 ? 97  MET   A CG   1 ? 1 
ATOM   1226 S SD   . MET   A 1 85  ? -14.245 -17.838 -33.636 1   36.254 ? 97  MET   A SD   1 ? 1 
ATOM   1227 C CE   . MET   A 1 85  ? -14.257 -19.454 -34.443 1   38.284 ? 97  MET   A CE   1 ? 1 
ATOM   1228 H H    . MET   A 1 85  ? -17.644 -14.961 -34.809 1   37.147 ? 97  MET   A H    1 c 1 
ATOM   1229 H HA   . MET   A 1 85  ? -16.89  -16.563 -36.989 1   38.279 ? 97  MET   A HA   1 c 1 
ATOM   1230 H HB2  . MET   A 1 85  ? -17.105 -17.235 -34.203 1   35.491 ? 97  MET   A HB2  1 c 1 
ATOM   1231 H HB3  . MET   A 1 85  ? -16.662 -18.284 -35.304 1   37.337 ? 97  MET   A HB3  1 c 1 
ATOM   1232 H HG2  . MET   A 1 85  ? -14.755 -17.005 -35.73  1   36.6   ? 97  MET   A HG2  1 c 1 
ATOM   1233 H HG3  . MET   A 1 85  ? -15.197 -15.981 -34.625 1   34.699 ? 97  MET   A HG3  1 c 1 
ATOM   1234 H HE1  . MET   A 1 85  ? -13.743 -20.087 -33.909 1   38.153 ? 97  MET   A HE1  1 c 1 
ATOM   1235 H HE2  . MET   A 1 85  ? -15.175 -19.771 -34.523 1   39.112 ? 97  MET   A HE2  1 c 1 
ATOM   1236 H HE3  . MET   A 1 85  ? -13.86  -19.377 -35.331 1   38.894 ? 97  MET   A HE3  1 c 1 
ATOM   1237 N N    . LYS   A 1 86  ? -18.828 -18.084 -37.254 1   40.336 ? 98  LYS   A N    1 ? 1 
ATOM   1238 C CA   . LYS   A 1 86  ? -20.011 -18.882 -37.496 1   44.51  ? 98  LYS   A CA   1 ? 1 
ATOM   1239 C C    . LYS   A 1 86  ? -19.868 -20.228 -36.784 1   45.302 ? 98  LYS   A C    1 ? 1 
ATOM   1240 O O    . LYS   A 1 86  ? -18.751 -20.718 -36.516 1   44.061 ? 98  LYS   A O    1 ? 1 
ATOM   1241 C CB   . LYS   A 1 86  ? -20.216 -19.033 -39.007 1   47.537 ? 98  LYS   A CB   1 ? 1 
ATOM   1242 C CG   . LYS   A 1 86  ? -20.437 -17.76  -39.805 1   49.01  ? 98  LYS   A CG   1 ? 1 
ATOM   1243 C CD   . LYS   A 1 86  ? -20.216 -17.921 -41.303 1   53.744 ? 98  LYS   A CD   1 ? 1 
ATOM   1244 C CE   . LYS   A 1 86  ? -20.506 -16.625 -41.989 1   57.693 ? 98  LYS   A CE   1 ? 1 
ATOM   1245 N NZ   . LYS   A 1 86  ? -20.823 -16.861 -43.397 1   64.098 ? 98  LYS   A NZ   1 ? 1 
ATOM   1246 H H    . LYS   A 1 86  ? -18.097 -18.221 -37.786 1   41.301 ? 98  LYS   A H    1 c 1 
ATOM   1247 H HA   . LYS   A 1 86  ? -20.794 -18.406 -37.119 1   43.812 ? 98  LYS   A HA   1 c 1 
ATOM   1248 H HB2  . LYS   A 1 86  ? -19.43  -19.489 -39.377 1   48.029 ? 98  LYS   A HB2  1 c 1 
ATOM   1249 H HB3  . LYS   A 1 86  ? -20.989 -19.62  -39.153 1   49.071 ? 98  LYS   A HB3  1 c 1 
ATOM   1250 H HG2  . LYS   A 1 86  ? -21.356 -17.452 -39.649 1   49.387 ? 98  LYS   A HG2  1 c 1 
ATOM   1251 H HG3  . LYS   A 1 86  ? -19.828 -17.069 -39.466 1   47.513 ? 98  LYS   A HG3  1 c 1 
ATOM   1252 H HD2  . LYS   A 1 86  ? -19.285 -18.181 -41.475 1   53.623 ? 98  LYS   A HD2  1 c 1 
ATOM   1253 H HD3  . LYS   A 1 86  ? -20.812 -18.618 -41.654 1   55.536 ? 98  LYS   A HD3  1 c 1 
ATOM   1254 H HE2  . LYS   A 1 86  ? -21.26  -16.18  -41.563 1   57.05  ? 98  LYS   A HE2  1 c 1 
ATOM   1255 H HE3  . LYS   A 1 86  ? -19.729 -16.04  -41.929 1   56.437 ? 98  LYS   A HE3  1 c 1 
ATOM   1256 H HZ1  . LYS   A 1 86  ? -21.584 -17.347 -43.465 1   64.165 ? 98  LYS   A HZ1  1 c 1 
ATOM   1257 H HZ2  . LYS   A 1 86  ? -20.144 -17.312 -43.793 1   63.768 ? 98  LYS   A HZ2  1 c 1 
ATOM   1258 H HZ3  . LYS   A 1 86  ? -20.938 -16.068 -43.82  1   63.861 ? 98  LYS   A HZ3  1 c 1 
ATOM   1259 N N    . LYS   A 1 87  ? -21.019 -20.822 -36.438 1   47.442 ? 99  LYS   A N    1 ? 1 
ATOM   1260 C CA   . LYS   A 1 87  ? -21.02  -22.126 -35.778 1   48.891 ? 99  LYS   A CA   1 ? 1 
ATOM   1261 C C    . LYS   A 1 87  ? -20.279 -23.144 -36.641 1   50.195 ? 99  LYS   A C    1 ? 1 
ATOM   1262 O O    . LYS   A 1 87  ? -20.554 -23.248 -37.836 1   50.713 ? 99  LYS   A O    1 ? 1 
ATOM   1263 C CB   . LYS   A 1 87  ? -22.474 -22.502 -35.503 1   54.055 ? 99  LYS   A CB   1 ? 1 
ATOM   1264 C CG   . LYS   A 1 87  ? -22.664 -23.828 -34.846 1   59.136 ? 99  LYS   A CG   1 ? 1 
ATOM   1265 C CD   . LYS   A 1 87  ? -24.094 -24.243 -34.541 1   62.013 ? 99  LYS   A CD   1 ? 1 
ATOM   1266 C CE   . LYS   A 1 87  ? -24.075 -25.428 -33.616 1   64.793 ? 99  LYS   A CE   1 ? 1 
ATOM   1267 N NZ   . LYS   A 1 87  ? -25.409 -26.024 -33.526 1   68.083 ? 99  LYS   A NZ   1 ? 1 
ATOM   1268 H H    . LYS   A 1 87  ? -21.816 -20.411 -36.615 1   47.555 ? 99  LYS   A H    1 c 1 
ATOM   1269 H HA   . LYS   A 1 87  ? -20.546 -22.035 -34.912 1   47.564 ? 99  LYS   A HA   1 c 1 
ATOM   1270 H HB2  . LYS   A 1 87  ? -22.876 -21.813 -34.932 1   52.698 ? 99  LYS   A HB2  1 c 1 
ATOM   1271 H HB3  . LYS   A 1 87  ? -22.963 -22.506 -36.354 1   55.296 ? 99  LYS   A HB3  1 c 1 
ATOM   1272 H HG2  . LYS   A 1 87  ? -22.259 -24.514 -35.42  1   59.714 ? 99  LYS   A HG2  1 c 1 
ATOM   1273 H HG3  . LYS   A 1 87  ? -22.157 -23.823 -34.004 1   57.247 ? 99  LYS   A HG3  1 c 1 
ATOM   1274 H HD2  . LYS   A 1 87  ? -24.573 -23.5   -34.113 1   61.237 ? 99  LYS   A HD2  1 c 1 
ATOM   1275 H HD3  . LYS   A 1 87  ? -24.555 -24.484 -35.374 1   63.782 ? 99  LYS   A HD3  1 c 1 
ATOM   1276 H HE2  . LYS   A 1 87  ? -23.447 -26.096 -33.943 1   65.286 ? 99  LYS   A HE2  1 c 1 
ATOM   1277 H HE3  . LYS   A 1 87  ? -23.793 -25.146 -32.728 1   63.049 ? 99  LYS   A HE3  1 c 1 
ATOM   1278 H HZ1  . LYS   A 1 87  ? -25.672 -26.312 -34.345 1   69.487 ? 99  LYS   A HZ1  1 c 1 
ATOM   1279 H HZ2  . LYS   A 1 87  ? -26     -25.407 -33.224 1   67.418 ? 99  LYS   A HZ2  1 c 1 
ATOM   1280 H HZ3  . LYS   A 1 87  ? -25.393 -26.726 -32.955 1   68.819 ? 99  LYS   A HZ3  1 c 1 
ATOM   1281 N N    . GLY   A 1 88  ? -19.333 -23.884 -36.037 1   49.525 ? 100 GLY   A N    1 ? 1 
ATOM   1282 C CA   . GLY   A 1 88  ? -18.532 -24.889 -36.726 1   50.99  ? 100 GLY   A CA   1 ? 1 
ATOM   1283 C C    . GLY   A 1 88  ? -17.19  -24.335 -37.209 1   49.49  ? 100 GLY   A C    1 ? 1 
ATOM   1284 O O    . GLY   A 1 88  ? -16.329 -25.081 -37.697 1   51.55  ? 100 GLY   A O    1 ? 1 
ATOM   1285 H H    . GLY   A 1 88  ? -19.182 -23.754 -35.145 1   48.224 ? 100 GLY   A H    1 c 1 
ATOM   1286 H HA2  . GLY   A 1 88  ? -18.371 -25.643 -36.112 1   51.397 ? 100 GLY   A HA2  1 c 1 
ATOM   1287 H HA3  . GLY   A 1 88  ? -19.04  -25.233 -37.498 1   53.088 ? 100 GLY   A HA3  1 c 1 
ATOM   1288 N N    . GLU   A 1 89  ? -17.034 -23.008 -37.142 1   47.702 ? 101 GLU   A N    1 ? 1 
ATOM   1289 C CA   . GLU   A 1 89  ? -15.826 -22.349 -37.609 1   44.868 ? 101 GLU   A CA   1 ? 1 
ATOM   1290 C C    . GLU   A 1 89  ? -14.667 -22.672 -36.671 1   44.186 ? 101 GLU   A C    1 ? 1 
ATOM   1291 O O    . GLU   A 1 89  ? -14.823 -22.748 -35.447 1   43.212 ? 101 GLU   A O    1 ? 1 
ATOM   1292 C CB   . GLU   A 1 89  ? -16.021 -20.84  -37.725 1   42.748 ? 101 GLU   A CB   1 ? 1 
ATOM   1293 C CG   . GLU   A 1 89  ? -14.877 -20.054 -38.355 1   41.323 ? 101 GLU   A CG   1 ? 1 
ATOM   1294 C CD   . GLU   A 1 89  ? -15.279 -18.582 -38.527 1   43.21  ? 101 GLU   A CD   1 ? 1 
ATOM   1295 O OE1  . GLU   A 1 89  ? -16.378 -18.232 -39.023 1   43.662 ? 101 GLU   A OE1  1 ? 1 
ATOM   1296 O OE2  . GLU   A 1 89  ? -14.464 -17.741 -38.139 1   41.925 ? 101 GLU   A OE2  1 ? 1 
ATOM   1297 H H    . GLU   A 1 89  ? -17.7   -22.493 -36.787 1   46.198 ? 101 GLU   A H    1 c 1 
ATOM   1298 H HA   . GLU   A 1 89  ? -15.614 -22.703 -38.508 1   46.881 ? 101 GLU   A HA   1 c 1 
ATOM   1299 H HB2  . GLU   A 1 89  ? -16.829 -20.674 -38.255 1   43.527 ? 101 GLU   A HB2  1 c 1 
ATOM   1300 H HB3  . GLU   A 1 89  ? -16.177 -20.477 -36.828 1   41.21  ? 101 GLU   A HB3  1 c 1 
ATOM   1301 H HG2  . GLU   A 1 89  ? -14.082 -20.108 -37.783 1   40.874 ? 101 GLU   A HG2  1 c 1 
ATOM   1302 H HG3  . GLU   A 1 89  ? -14.66  -20.432 -39.233 1   43.397 ? 101 GLU   A HG3  1 c 1 
ATOM   1303 N N    . ILE   A 1 90  ? -13.483 -22.819 -37.272 1   45.644 ? 102 ILE   A N    1 ? 1 
ATOM   1304 C CA   . ILE   A 1 90  ? -12.243 -22.772 -36.533 1   44.865 ? 102 ILE   A CA   1 ? 1 
ATOM   1305 C C    . ILE   A 1 90  ? -11.459 -21.591 -37.068 1   44.872 ? 102 ILE   A C    1 ? 1 
ATOM   1306 O O    . ILE   A 1 90  ? -11.294 -21.439 -38.281 1   48.648 ? 102 ILE   A O    1 ? 1 
ATOM   1307 C CB   . ILE   A 1 90  ? -11.423 -24.087 -36.589 1   44.966 ? 102 ILE   A CB   1 ? 1 
ATOM   1308 C CG1  . ILE   A 1 90  ? -12.244 -25.328 -36.197 1   50.861 ? 102 ILE   A CG1  1 ? 1 
ATOM   1309 C CG2  . ILE   A 1 90  ? -10.204 -23.929 -35.702 1   44.951 ? 102 ILE   A CG2  1 ? 1 
ATOM   1310 C CD1  . ILE   A 1 90  ? -11.492 -26.645 -36.199 1   51.33  ? 102 ILE   A CD1  1 ? 1 
ATOM   1311 H H    . ILE   A 1 90  ? -13.451 -22.956 -38.176 1   47.103 ? 102 ILE   A H    1 c 1 
ATOM   1312 H HA   . ILE   A 1 90  ? -12.458 -22.599 -35.6   1   43.776 ? 102 ILE   A HA   1 c 1 
ATOM   1313 H HB   . ILE   A 1 90  ? -11.114 -24.21  -37.51  1   47.703 ? 102 ILE   A HB   1 c 1 
ATOM   1314 H HG12 . ILE   A 1 90  ? -12.61  -25.186 -35.299 1   48.116 ? 102 ILE   A HG12 1 c 1 
ATOM   1315 H HG13 . ILE   A 1 90  ? -13.001 -25.406 -36.813 1   50.698 ? 102 ILE   A HG13 1 c 1 
ATOM   1316 H HG21 . ILE   A 1 90  ? -9.772  -24.788 -35.58  1   46.599 ? 102 ILE   A HG21 1 c 1 
ATOM   1317 H HG22 . ILE   A 1 90  ? -10.475 -23.582 -34.835 1   43.833 ? 102 ILE   A HG22 1 c 1 
ATOM   1318 H HG23 . ILE   A 1 90  ? -9.578  -23.31  -36.114 1   44.814 ? 102 ILE   A HG23 1 c 1 
ATOM   1319 H HD11 . ILE   A 1 90  ? -11.033 -26.755 -37.054 1   53.382 ? 102 ILE   A HD11 1 c 1 
ATOM   1320 H HD12 . ILE   A 1 90  ? -12.121 -27.381 -36.075 1   53.145 ? 102 ILE   A HD12 1 c 1 
ATOM   1321 H HD13 . ILE   A 1 90  ? -10.837 -26.658 -35.476 1   50.841 ? 102 ILE   A HD13 1 c 1 
ATOM   1322 N N    . ALA   A 1 91  ? -11.041 -20.732 -36.136 1   40.993 ? 103 ALA   A N    1 ? 1 
ATOM   1323 C CA   . ALA   A 1 91  ? -10.276 -19.543 -36.46  1   40.431 ? 103 ALA   A CA   1 ? 1 
ATOM   1324 C C    . ALA   A 1 91  ? -8.974  -19.545 -35.657 1   37.876 ? 103 ALA   A C    1 ? 1 
ATOM   1325 O O    . ALA   A 1 91  ? -8.865  -20.108 -34.569 1   39.142 ? 103 ALA   A O    1 ? 1 
ATOM   1326 C CB   . ALA   A 1 91  ? -11.093 -18.278 -36.213 1   39.773 ? 103 ALA   A CB   1 ? 1 
ATOM   1327 H H    . ALA   A 1 91  ? -11.24  -20.894 -35.259 1   40.463 ? 103 ALA   A H    1 c 1 
ATOM   1328 H HA   . ALA   A 1 91  ? -10.04  -19.585 -37.425 1   41.772 ? 103 ALA   A HA   1 c 1 
ATOM   1329 H HB1  . ALA   A 1 91  ? -11.888 -18.287 -36.772 1   40.45  ? 103 ALA   A HB1  1 c 1 
ATOM   1330 H HB2  . ALA   A 1 91  ? -11.358 -18.237 -35.278 1   38.49  ? 103 ALA   A HB2  1 c 1 
ATOM   1331 H HB3  . ALA   A 1 91  ? -10.558 -17.496 -36.428 1   39.285 ? 103 ALA   A HB3  1 c 1 
ATOM   1332 N N    . HIS   A 1 92  ? -7.966  -18.927 -36.251 1   36.737 ? 104 HIS   A N    1 ? 1 
ATOM   1333 C CA   . HIS   A 1 92  ? -6.759  -18.548 -35.566 1   35.938 ? 104 HIS   A CA   1 ? 1 
ATOM   1334 C C    . HIS   A 1 92  ? -6.833  -17.052 -35.277 1   35.007 ? 104 HIS   A C    1 ? 1 
ATOM   1335 O O    . HIS   A 1 92  ? -7.23   -16.288 -36.168 1   36.794 ? 104 HIS   A O    1 ? 1 
ATOM   1336 C CB   . HIS   A 1 92  ? -5.541  -18.886 -36.41  1   36.267 ? 104 HIS   A CB   1 ? 1 
ATOM   1337 C CG   . HIS   A 1 92  ? -5.166  -20.322 -36.368 1   37.791 ? 104 HIS   A CG   1 ? 1 
ATOM   1338 N ND1  . HIS   A 1 92  ? -4.122  -20.869 -37.075 1   40.619 ? 104 HIS   A ND1  1 ? 1 
ATOM   1339 C CD2  . HIS   A 1 92  ? -5.742  -21.332 -35.712 1   37.895 ? 104 HIS   A CD2  1 ? 1 
ATOM   1340 C CE1  . HIS   A 1 92  ? -4.065  -22.169 -36.801 1   43.164 ? 104 HIS   A CE1  1 ? 1 
ATOM   1341 N NE2  . HIS   A 1 92  ? -5.065  -22.466 -36.016 1   40.751 ? 104 HIS   A NE2  1 ? 1 
ATOM   1342 H H    . HIS   A 1 92  ? -8.037  -18.727 -37.14  1   38.135 ? 104 HIS   A H    1 c 1 
ATOM   1343 H HA   . HIS   A 1 92  ? -6.709  -19.031 -34.708 1   35.125 ? 104 HIS   A HA   1 c 1 
ATOM   1344 H HB2  . HIS   A 1 92  ? -5.721  -18.63  -37.341 1   37.368 ? 104 HIS   A HB2  1 c 1 
ATOM   1345 H HB3  . HIS   A 1 92  ? -4.782  -18.353 -36.093 1   36.037 ? 104 HIS   A HB3  1 c 1 
ATOM   1346 H HD1  . HIS   A 1 92  ? -3.595  -20.457 -37.643 0   20     ? 104 HIS   A HD1  1 c 1 
ATOM   1347 H HD2  . HIS   A 1 92  ? -6.495  -21.285 -35.158 1   37.045 ? 104 HIS   A HD2  1 c 1 
ATOM   1348 H HE1  . HIS   A 1 92  ? -3.445  -22.778 -37.161 1   44.988 ? 104 HIS   A HE1  1 c 1 
ATOM   1349 H HE2  . HIS   A 1 92  ? -5.277  -23.273 -35.728 0   20     ? 104 HIS   A HE2  1 c 1 
ATOM   1350 N N    . LEU   A 1 93  ? -6.502  -16.666 -34.038 1   33.995 ? 105 LEU   A N    1 ? 1 
ATOM   1351 C CA   . LEU   A 1 93  ? -6.341  -15.267 -33.663 1   31.66  ? 105 LEU   A CA   1 ? 1 
ATOM   1352 C C    . LEU   A 1 93  ? -4.91   -15.027 -33.204 1   30.79  ? 105 LEU   A C    1 ? 1 
ATOM   1353 O O    . LEU   A 1 93  ? -4.368  -15.746 -32.338 1   31.538 ? 105 LEU   A O    1 ? 1 
ATOM   1354 C CB   . LEU   A 1 93  ? -7.289  -14.8   -32.554 1   28.271 ? 105 LEU   A CB   1 ? 1 
ATOM   1355 C CG   . LEU   A 1 93  ? -8.783  -14.983 -32.791 1   29.673 ? 105 LEU   A CG   1 ? 1 
ATOM   1356 C CD1  . LEU   A 1 93  ? -9.553  -14.549 -31.579 1   29.62  ? 105 LEU   A CD1  1 ? 1 
ATOM   1357 C CD2  . LEU   A 1 93  ? -9.311  -14.233 -33.999 1   31.565 ? 105 LEU   A CD2  1 ? 1 
ATOM   1358 H H    . LEU   A 1 93  ? -6.371  -17.304 -33.397 1   33.579 ? 105 LEU   A H    1 c 1 
ATOM   1359 H HA   . LEU   A 1 93  ? -6.505  -14.719 -34.466 1   31.921 ? 105 LEU   A HA   1 c 1 
ATOM   1360 H HB2  . LEU   A 1 93  ? -7.048  -15.279 -31.727 1   28.222 ? 105 LEU   A HB2  1 c 1 
ATOM   1361 H HB3  . LEU   A 1 93  ? -7.118  -13.844 -32.391 1   28.22  ? 105 LEU   A HB3  1 c 1 
ATOM   1362 H HG   . LEU   A 1 93  ? -8.956  -15.949 -32.932 1   30.366 ? 105 LEU   A HG   1 c 1 
ATOM   1363 H HD11 . LEU   A 1 93  ? -9.276  -15.076 -30.811 1   29.011 ? 105 LEU   A HD11 1 c 1 
ATOM   1364 H HD12 . LEU   A 1 93  ? -10.504 -14.68  -31.733 1   29.487 ? 105 LEU   A HD12 1 c 1 
ATOM   1365 H HD13 . LEU   A 1 93  ? -9.381  -13.608 -31.404 1   28.871 ? 105 LEU   A HD13 1 c 1 
ATOM   1366 H HD21 . LEU   A 1 93  ? -8.865  -14.553 -34.801 1   32.451 ? 105 LEU   A HD21 1 c 1 
ATOM   1367 H HD22 . LEU   A 1 93  ? -9.141  -13.282 -33.892 1   30.99  ? 105 LEU   A HD22 1 c 1 
ATOM   1368 H HD23 . LEU   A 1 93  ? -10.268 -14.382 -34.081 1   31.4   ? 105 LEU   A HD23 1 c 1 
ATOM   1369 N N    . LEU   A 1 94  ? -4.38   -13.903 -33.664 1   28.571 ? 106 LEU   A N    1 ? 1 
ATOM   1370 C CA   . LEU   A 1 94  ? -3.136  -13.371 -33.127 1   29.929 ? 106 LEU   A CA   1 ? 1 
ATOM   1371 C C    . LEU   A 1 94  ? -3.418  -11.96  -32.623 1   29.663 ? 106 LEU   A C    1 ? 1 
ATOM   1372 O O    . LEU   A 1 94  ? -4.05   -11.16  -33.327 1   29.67  ? 106 LEU   A O    1 ? 1 
ATOM   1373 C CB   . LEU   A 1 94  ? -2.052  -13.367 -34.195 1   30.614 ? 106 LEU   A CB   1 ? 1 
ATOM   1374 C CG   . LEU   A 1 94  ? -0.652  -12.929 -33.745 1   32.311 ? 106 LEU   A CG   1 ? 1 
ATOM   1375 C CD1  . LEU   A 1 94  ? 0.019   -13.95  -32.867 1   31.561 ? 106 LEU   A CD1  1 ? 1 
ATOM   1376 C CD2  . LEU   A 1 94  ? 0.257   -12.582 -34.932 1   37.409 ? 106 LEU   A CD2  1 ? 1 
ATOM   1377 H H    . LEU   A 1 94  ? -4.798  -13.448 -34.338 1   29.431 ? 106 LEU   A H    1 c 1 
ATOM   1378 H HA   . LEU   A 1 94  ? -2.847  -13.936 -32.367 1   29.201 ? 106 LEU   A HA   1 c 1 
ATOM   1379 H HB2  . LEU   A 1 94  ? -1.987  -14.277 -34.566 1   31.714 ? 106 LEU   A HB2  1 c 1 
ATOM   1380 H HB3  . LEU   A 1 94  ? -2.344  -12.773 -34.924 1   31.505 ? 106 LEU   A HB3  1 c 1 
ATOM   1381 H HG   . LEU   A 1 94  ? -0.754  -12.102 -33.206 1   31.476 ? 106 LEU   A HG   1 c 1 
ATOM   1382 H HD11 . LEU   A 1 94  ? -0.513  -14.091 -32.067 1   30.265 ? 106 LEU   A HD11 1 c 1 
ATOM   1383 H HD12 . LEU   A 1 94  ? 0.902   -13.631 -32.615 1   32.197 ? 106 LEU   A HD12 1 c 1 
ATOM   1384 H HD13 . LEU   A 1 94  ? 0.105   -14.788 -33.351 1   32.764 ? 106 LEU   A HD13 1 c 1 
ATOM   1385 H HD21 . LEU   A 1 94  ? -0.139  -11.857 -35.443 1   37.145 ? 106 LEU   A HD21 1 c 1 
ATOM   1386 H HD22 . LEU   A 1 94  ? 0.359   -13.362 -35.502 1   37.806 ? 106 LEU   A HD22 1 c 1 
ATOM   1387 H HD23 . LEU   A 1 94  ? 1.13    -12.307 -34.603 1   37.103 ? 106 LEU   A HD23 1 c 1 
ATOM   1388 N N    . ILE   A 1 95  ? -2.978  -11.692 -31.378 1   28.005 ? 107 ILE   A N    1 ? 1 
ATOM   1389 C CA   . ILE   A 1 95  ? -3.505  -10.617 -30.562 1   27.707 ? 107 ILE   A CA   1 ? 1 
ATOM   1390 C C    . ILE   A 1 95  ? -2.377  -9.8    -29.942 1   27.579 ? 107 ILE   A C    1 ? 1 
ATOM   1391 O O    . ILE   A 1 95  ? -1.562  -10.324 -29.184 1   27.249 ? 107 ILE   A O    1 ? 1 
ATOM   1392 C CB   . ILE   A 1 95  ? -4.4    -11.18  -29.452 1   27.515 ? 107 ILE   A CB   1 ? 1 
ATOM   1393 C CG1  . ILE   A 1 95  ? -5.52   -12.057 -29.969 1   28.701 ? 107 ILE   A CG1  1 ? 1 
ATOM   1394 C CG2  . ILE   A 1 95  ? -4.95   -10.011 -28.653 1   26.717 ? 107 ILE   A CG2  1 ? 1 
ATOM   1395 C CD1  . ILE   A 1 95  ? -6.102  -12.961 -28.909 1   27.168 ? 107 ILE   A CD1  1 ? 1 
ATOM   1396 H H    . ILE   A 1 95  ? -2.31   -12.209 -31.029 1   28.319 ? 107 ILE   A H    1 c 1 
ATOM   1397 H HA   . ILE   A 1 95  ? -4.045  -10.034 -31.126 1   27.686 ? 107 ILE   A HA   1 c 1 
ATOM   1398 H HB   . ILE   A 1 95  ? -3.842  -11.721 -28.857 1   27.432 ? 107 ILE   A HB   1 c 1 
ATOM   1399 H HG12 . ILE   A 1 95  ? -6.231  -11.487 -30.325 1   28.318 ? 107 ILE   A HG12 1 c 1 
ATOM   1400 H HG13 . ILE   A 1 95  ? -5.182  -12.61  -30.701 1   28.845 ? 107 ILE   A HG13 1 c 1 
ATOM   1401 H HG21 . ILE   A 1 95  ? -5.628  -10.329 -28.035 1   26.141 ? 107 ILE   A HG21 1 c 1 
ATOM   1402 H HG22 . ILE   A 1 95  ? -5.345  -9.361  -29.258 1   27.123 ? 107 ILE   A HG22 1 c 1 
ATOM   1403 H HG23 . ILE   A 1 95  ? -4.234  -9.592  -28.151 1   27.004 ? 107 ILE   A HG23 1 c 1 
ATOM   1404 H HD11 . ILE   A 1 95  ? -5.402  -13.55  -28.569 1   27.543 ? 107 ILE   A HD11 1 c 1 
ATOM   1405 H HD12 . ILE   A 1 95  ? -6.816  -13.5   -29.298 1   27.395 ? 107 ILE   A HD12 1 c 1 
ATOM   1406 H HD13 . ILE   A 1 95  ? -6.46   -12.429 -28.175 1   26.899 ? 107 ILE   A HD13 1 c 1 
ATOM   1407 N N    . LYS   A 1 96  ? -2.386  -8.504  -30.244 1   28.207 ? 108 LYS   A N    1 ? 1 
ATOM   1408 C CA   . LYS   A 1 96  ? -1.457  -7.557  -29.664 1   28.103 ? 108 LYS   A CA   1 ? 1 
ATOM   1409 C C    . LYS   A 1 96  ? -1.86   -7.319  -28.206 1   27.665 ? 108 LYS   A C    1 ? 1 
ATOM   1410 O O    . LYS   A 1 96  ? -3.018  -7.484  -27.811 1   27.446 ? 108 LYS   A O    1 ? 1 
ATOM   1411 C CB   . LYS   A 1 96  ? -1.441  -6.248  -30.466 1   31.863 ? 108 LYS   A CB   1 ? 1 
ATOM   1412 C CG   . LYS   A 1 96  ? -0.877  -6.395  -31.873 1   34.012 ? 108 LYS   A CG   1 ? 1 
ATOM   1413 C CD   . LYS   A 1 96  ? -0.824  -5.088  -32.664 1   37.558 ? 108 LYS   A CD   1 ? 1 
ATOM   1414 C CE   . LYS   A 1 96  ? -0.217  -5.229  -34.026 1   40.701 ? 108 LYS   A CE   1 ? 1 
ATOM   1415 N NZ   . LYS   A 1 96  ? -0.276  -3.924  -34.696 1   45.767 ? 108 LYS   A NZ   1 ? 1 
ATOM   1416 H H    . LYS   A 1 96  ? -3.001  -8.195  -30.845 1   28.115 ? 108 LYS   A H    1 c 1 
ATOM   1417 H HA   . LYS   A 1 96  ? -0.552  -7.958  -29.689 1   29.106 ? 108 LYS   A HA   1 c 1 
ATOM   1418 H HB2  . LYS   A 1 96  ? -2.358  -5.905  -30.532 1   31.205 ? 108 LYS   A HB2  1 c 1 
ATOM   1419 H HB3  . LYS   A 1 96  ? -0.908  -5.582  -29.983 1   31.928 ? 108 LYS   A HB3  1 c 1 
ATOM   1420 H HG2  . LYS   A 1 96  ? 0.031   -6.764  -31.807 1   34.533 ? 108 LYS   A HG2  1 c 1 
ATOM   1421 H HG3  . LYS   A 1 96  ? -1.428  -7.042  -32.364 1   33.839 ? 108 LYS   A HG3  1 c 1 
ATOM   1422 H HD2  . LYS   A 1 96  ? -1.734  -4.734  -32.757 1   37.069 ? 108 LYS   A HD2  1 c 1 
ATOM   1423 H HD3  . LYS   A 1 96  ? -0.303  -4.431  -32.152 1   37.814 ? 108 LYS   A HD3  1 c 1 
ATOM   1424 H HE2  . LYS   A 1 96  ? 0.711   -5.515  -33.953 1   41.613 ? 108 LYS   A HE2  1 c 1 
ATOM   1425 H HE3  . LYS   A 1 96  ? -0.708  -5.887  -34.549 1   40.773 ? 108 LYS   A HE3  1 c 1 
ATOM   1426 H HZ1  . LYS   A 1 96  ? 0.17    -3.306  -34.206 1   45.258 ? 108 LYS   A HZ1  1 c 1 
ATOM   1427 H HZ2  . LYS   A 1 96  ? -1.139  -3.665  -34.788 1   44.525 ? 108 LYS   A HZ2  1 c 1 
ATOM   1428 H HZ3  . LYS   A 1 96  ? 0.105   -3.984  -35.515 1   46.521 ? 108 LYS   A HZ3  1 c 1 
ATOM   1429 N N    . PRO   A 1 97  ? -0.902  -6.909  -27.379 1   29.688 ? 109 PRO   A N    1 ? 1 
ATOM   1430 C CA   . PRO   A 1 97  ? -1.173  -6.817  -25.944 1   29.465 ? 109 PRO   A CA   1 ? 1 
ATOM   1431 C C    . PRO   A 1 97  ? -2.316  -5.868  -25.569 1   29.054 ? 109 PRO   A C    1 ? 1 
ATOM   1432 O O    . PRO   A 1 97  ? -3.043  -6.086  -24.624 1   28.269 ? 109 PRO   A O    1 ? 1 
ATOM   1433 C CB   . PRO   A 1 97  ? 0.128   -6.334  -25.352 1   31.469 ? 109 PRO   A CB   1 ? 1 
ATOM   1434 C CG   . PRO   A 1 97  ? 1.151   -6.264  -26.454 1   32.166 ? 109 PRO   A CG   1 ? 1 
ATOM   1435 C CD   . PRO   A 1 97  ? 0.508   -6.706  -27.739 1   32.166 ? 109 PRO   A CD   1 ? 1 
ATOM   1436 H HA   . PRO   A 1 97  ? -1.372  -7.712  -25.597 1   28.824 ? 109 PRO   A HA   1 c 1 
ATOM   1437 H HB2  . PRO   A 1 97  ? 0.011   -5.454  -24.944 1   31.644 ? 109 PRO   A HB2  1 c 1 
ATOM   1438 H HB3  . PRO   A 1 97  ? 0.428   -6.945  -24.652 1   31.074 ? 109 PRO   A HB3  1 c 1 
ATOM   1439 H HG2  . PRO   A 1 97  ? 1.483   -5.349  -26.547 1   33.303 ? 109 PRO   A HG2  1 c 1 
ATOM   1440 H HG3  . PRO   A 1 97  ? 1.909   -6.843  -26.247 1   32.833 ? 109 PRO   A HG3  1 c 1 
ATOM   1441 H HD2  . PRO   A 1 97  ? 0.594   -6.021  -28.428 1   32.755 ? 109 PRO   A HD2  1 c 1 
ATOM   1442 H HD3  . PRO   A 1 97  ? 0.905   -7.538  -28.061 1   31.906 ? 109 PRO   A HD3  1 c 1 
ATOM   1443 N N    . GLU   A 1 98  ? -2.582  -4.862  -26.383 1   30.762 ? 110 GLU   A N    1 ? 1 
ATOM   1444 C CA   . GLU   A 1 98  ? -3.643  -3.918  -26.073 1   30.511 ? 110 GLU   A CA   1 ? 1 
ATOM   1445 C C    . GLU   A 1 98  ? -5.01   -4.607  -26.053 1   27.541 ? 110 GLU   A C    1 ? 1 
ATOM   1446 O O    . GLU   A 1 98  ? -5.938  -4.09   -25.448 1   28.663 ? 110 GLU   A O    1 ? 1 
ATOM   1447 C CB   . GLU   A 1 98  ? -3.627  -2.766  -27.085 1   32.305 ? 110 GLU   A CB   1 ? 1 
ATOM   1448 C CG   . GLU   A 1 98  ? -2.391  -1.902  -26.898 1   38.525 ? 110 GLU   A CG   1 ? 1 
ATOM   1449 C CD   . GLU   A 1 98  ? -1.055  -2.415  -27.45  1   39.924 ? 110 GLU   A CD   1 ? 1 
ATOM   1450 O OE1  . GLU   A 1 98  ? -1.008  -3.339  -28.329 1   34.818 ? 110 GLU   A OE1  1 ? 1 
ATOM   1451 O OE2  . GLU   A 1 98  ? -0.047  -1.838  -26.957 1   47.099 ? 110 GLU   A OE2  1 ? 1 
ATOM   1452 H H    . GLU   A 1 98  ? -2.104  -4.758  -27.155 1   31.162 ? 110 GLU   A H    1 c 1 
ATOM   1453 H HA   . GLU   A 1 98  ? -3.47   -3.544  -25.171 1   30.747 ? 110 GLU   A HA   1 c 1 
ATOM   1454 H HB2  . GLU   A 1 98  ? -3.645  -3.135  -27.993 1   32.857 ? 110 GLU   A HB2  1 c 1 
ATOM   1455 H HB3  . GLU   A 1 98  ? -4.433  -2.221  -26.965 1   33.257 ? 110 GLU   A HB3  1 c 1 
ATOM   1456 H HG2  . GLU   A 1 98  ? -2.563  -1.026  -27.304 1   38.958 ? 110 GLU   A HG2  1 c 1 
ATOM   1457 H HG3  . GLU   A 1 98  ? -2.273  -1.74   -25.937 1   37.672 ? 110 GLU   A HG3  1 c 1 
ATOM   1458 N N    . TYR   A 1 99  ? -5.151  -5.756  -26.747 1   26.169 ? 111 TYR   A N    1 ? 1 
ATOM   1459 C CA   . TYR   A 1 99  ? -6.418  -6.466  -26.833 1   26.219 ? 111 TYR   A CA   1 ? 1 
ATOM   1460 C C    . TYR   A 1 99  ? -6.39   -7.739  -25.976 1   25.557 ? 111 TYR   A C    1 ? 1 
ATOM   1461 O O    . TYR   A 1 99  ? -7.278  -8.584  -26.051 1   24.601 ? 111 TYR   A O    1 ? 1 
ATOM   1462 C CB   . TYR   A 1 99  ? -6.75   -6.739  -28.305 1   26.942 ? 111 TYR   A CB   1 ? 1 
ATOM   1463 C CG   . TYR   A 1 99  ? -7.093  -5.477  -29.084 1   28.474 ? 111 TYR   A CG   1 ? 1 
ATOM   1464 C CD1  . TYR   A 1 99  ? -6.092  -4.684  -29.657 1   30.229 ? 111 TYR   A CD1  1 ? 1 
ATOM   1465 C CD2  . TYR   A 1 99  ? -8.406  -5.042  -29.2   1   27.961 ? 111 TYR   A CD2  1 ? 1 
ATOM   1466 C CE1  . TYR   A 1 99  ? -6.379  -3.509  -30.328 1   31.01  ? 111 TYR   A CE1  1 ? 1 
ATOM   1467 C CE2  . TYR   A 1 99  ? -8.709  -3.904  -29.941 1   30.522 ? 111 TYR   A CE2  1 ? 1 
ATOM   1468 C CZ   . TYR   A 1 99  ? -7.702  -3.114  -30.467 1   31.669 ? 111 TYR   A CZ   1 ? 1 
ATOM   1469 O OH   . TYR   A 1 99  ? -8.031  -2      -31.185 1   33.458 ? 111 TYR   A OH   1 ? 1 
ATOM   1470 H H    . TYR   A 1 99  ? -4.433  -6.098  -27.196 1   26.272 ? 111 TYR   A H    1 c 1 
ATOM   1471 H HA   . TYR   A 1 99  ? -7.128  -5.873  -26.471 1   26.533 ? 111 TYR   A HA   1 c 1 
ATOM   1472 H HB2  . TYR   A 1 99  ? -5.976  -7.175  -28.726 1   27.142 ? 111 TYR   A HB2  1 c 1 
ATOM   1473 H HB3  . TYR   A 1 99  ? -7.512  -7.357  -28.347 1   26.43  ? 111 TYR   A HB3  1 c 1 
ATOM   1474 H HD1  . TYR   A 1 99  ? -5.19   -4.94   -29.553 1   29.808 ? 111 TYR   A HD1  1 c 1 
ATOM   1475 H HD2  . TYR   A 1 99  ? -9.106  -5.568  -28.847 1   27.668 ? 111 TYR   A HD2  1 c 1 
ATOM   1476 H HE1  . TYR   A 1 99  ? -5.689  -3.004  -30.723 1   32.283 ? 111 TYR   A HE1  1 c 1 
ATOM   1477 H HE2  . TYR   A 1 99  ? -9.605  -3.626  -30.021 1   30.551 ? 111 TYR   A HE2  1 c 1 
ATOM   1478 H HH   . TYR   A 1 99  ? -7.3    -1.65   -31.512 0   20     ? 111 TYR   A HH   1 c 1 
ATOM   1479 N N    . ALA   A 1 100 ? -5.351  -7.872  -25.149 1   25.771 ? 112 ALA   A N    1 ? 1 
ATOM   1480 C CA   . ALA   A 1 100 ? -5.195  -9.035  -24.307 1   24.348 ? 112 ALA   A CA   1 ? 1 
ATOM   1481 C C    . ALA   A 1 100 ? -4.945  -8.575  -22.868 1   24.121 ? 112 ALA   A C    1 ? 1 
ATOM   1482 O O    . ALA   A 1 100 ? -5.902  -8.193  -22.216 1   25.713 ? 112 ALA   A O    1 ? 1 
ATOM   1483 C CB   . ALA   A 1 100 ? -4.127  -9.937  -24.851 1   26.187 ? 112 ALA   A CB   1 ? 1 
ATOM   1484 H H    . ALA   A 1 100 ? -4.721  -7.212  -25.103 1   26.03  ? 112 ALA   A H    1 c 1 
ATOM   1485 H HA   . ALA   A 1 100 ? -6.056  -9.534  -24.312 1   24.234 ? 112 ALA   A HA   1 c 1 
ATOM   1486 H HB1  . ALA   A 1 100 ? -4.437  -10.349 -25.675 1   25.669 ? 112 ALA   A HB1  1 c 1 
ATOM   1487 H HB2  . ALA   A 1 100 ? -3.324  -9.421  -25.035 1   26.307 ? 112 ALA   A HB2  1 c 1 
ATOM   1488 H HB3  . ALA   A 1 100 ? -3.922  -10.632 -24.203 1   25.68  ? 112 ALA   A HB3  1 c 1 
ATOM   1489 N N    . TYR   A 1 101 ? -3.702  -8.61   -22.411 1   25.285 ? 113 TYR   A N    1 ? 1 
ATOM   1490 C CA   . TYR   A 1 101 ? -3.406  -8.255  -21.026 1   25.856 ? 113 TYR   A CA   1 ? 1 
ATOM   1491 C C    . TYR   A 1 101 ? -2.563  -6.997  -20.891 1   27.538 ? 113 TYR   A C    1 ? 1 
ATOM   1492 O O    . TYR   A 1 101 ? -2.212  -6.599  -19.762 1   28.31  ? 113 TYR   A O    1 ? 1 
ATOM   1493 C CB   . TYR   A 1 101 ? -2.734  -9.436  -20.3   1   26.761 ? 113 TYR   A CB   1 ? 1 
ATOM   1494 C CG   . TYR   A 1 101 ? -3.675  -10.635 -20.184 1   25.814 ? 113 TYR   A CG   1 ? 1 
ATOM   1495 C CD1  . TYR   A 1 101 ? -4.709  -10.639 -19.242 1   24.1   ? 113 TYR   A CD1  1 ? 1 
ATOM   1496 C CD2  . TYR   A 1 101 ? -3.67   -11.644 -21.159 1   25.181 ? 113 TYR   A CD2  1 ? 1 
ATOM   1497 C CE1  . TYR   A 1 101 ? -5.628  -11.678 -19.18  1   24.078 ? 113 TYR   A CE1  1 ? 1 
ATOM   1498 C CE2  . TYR   A 1 101 ? -4.593  -12.674 -21.109 1   24.04  ? 113 TYR   A CE2  1 ? 1 
ATOM   1499 C CZ   . TYR   A 1 101 ? -5.56   -12.712 -20.112 1   24.38  ? 113 TYR   A CZ   1 ? 1 
ATOM   1500 O OH   . TYR   A 1 101 ? -6.435  -13.738 -20.086 1   23.664 ? 113 TYR   A OH   1 ? 1 
ATOM   1501 H H    . TYR   A 1 101 ? -3.015  -8.855  -22.961 1   25.096 ? 113 TYR   A H    1 c 1 
ATOM   1502 H HA   . TYR   A 1 101 ? -4.269  -8.082  -20.57  1   26.188 ? 113 TYR   A HA   1 c 1 
ATOM   1503 H HB2  . TYR   A 1 101 ? -1.929  -9.701  -20.797 1   26.735 ? 113 TYR   A HB2  1 c 1 
ATOM   1504 H HB3  . TYR   A 1 101 ? -2.467  -9.147  -19.399 1   27.44  ? 113 TYR   A HB3  1 c 1 
ATOM   1505 H HD1  . TYR   A 1 101 ? -4.75   -9.949  -18.601 1   24.911 ? 113 TYR   A HD1  1 c 1 
ATOM   1506 H HD2  . TYR   A 1 101 ? -3.01   -11.64  -21.834 1   25.117 ? 113 TYR   A HD2  1 c 1 
ATOM   1507 H HE1  . TYR   A 1 101 ? -6.282  -11.693 -18.504 1   24.695 ? 113 TYR   A HE1  1 c 1 
ATOM   1508 H HE2  . TYR   A 1 101 ? -4.543  -13.378 -21.733 1   23.936 ? 113 TYR   A HE2  1 c 1 
ATOM   1509 H HH   . TYR   A 1 101 ? -6.987  -13.645 -19.433 0   20     ? 113 TYR   A HH   1 c 1 
ATOM   1510 N N    . GLY   A 1 102 ? -2.219  -6.326  -21.997 1   26.907 ? 114 GLY   A N    1 ? 1 
ATOM   1511 C CA   . GLY   A 1 102 ? -1.73   -4.959  -21.853 1   28.374 ? 114 GLY   A CA   1 ? 1 
ATOM   1512 C C    . GLY   A 1 102 ? -0.315  -4.848  -21.285 1   30.515 ? 114 GLY   A C    1 ? 1 
ATOM   1513 O O    . GLY   A 1 102 ? 0.43    -5.829  -21.19  1   31.5   ? 114 GLY   A O    1 ? 1 
ATOM   1514 H H    . GLY   A 1 102 ? -2.276  -6.707  -22.826 1   26.683 ? 114 GLY   A H    1 c 1 
ATOM   1515 H HA2  . GLY   A 1 102 ? -1.753  -4.526  -22.738 1   28.524 ? 114 GLY   A HA2  1 c 1 
ATOM   1516 H HA3  . GLY   A 1 102 ? -2.351  -4.464  -21.267 1   28.864 ? 114 GLY   A HA3  1 c 1 
ATOM   1517 N N    . SER   A 1 103 ? 0.038   -3.611  -20.895 1   32.374 ? 115 SER   A N    1 ? 1 
ATOM   1518 C CA   . SER   A 1 103 ? 1.337   -3.323  -20.305 1   35.135 ? 115 SER   A CA   1 ? 1 
ATOM   1519 C C    . SER   A 1 103 ? 1.437   -3.979  -18.934 1   34.05  ? 115 SER   A C    1 ? 1 
ATOM   1520 O O    . SER   A 1 103 ? 2.516   -4.383  -18.554 1   35.779 ? 115 SER   A O    1 ? 1 
ATOM   1521 C CB   . SER   A 1 103 ? 1.655   -1.842  -20.204 1   38.24  ? 115 SER   A CB   1 ? 1 
ATOM   1522 O OG   . SER   A 1 103 ? 0.607   -1.184  -19.551 1   41.155 ? 115 SER   A OG   1 ? 1 
ATOM   1523 H H    . SER   A 1 103 ? -0.556  -2.924  -21.002 1   32.823 ? 115 SER   A H    1 c 1 
ATOM   1524 H HA   . SER   A 1 103 ? 2.024   -3.738  -20.882 1   34.781 ? 115 SER   A HA   1 c 1 
ATOM   1525 H HB2  . SER   A 1 103 ? 2.485   -1.718  -19.705 1   39.64  ? 115 SER   A HB2  1 c 1 
ATOM   1526 H HB3  . SER   A 1 103 ? 1.77    -1.47   -21.099 1   38.393 ? 115 SER   A HB3  1 c 1 
ATOM   1527 H HG   . SER   A 1 103 ? 0.82    -0.346  -19.516 0   20     ? 115 SER   A HG   1 c 1 
ATOM   1528 N N    . ALA   A 1 104 ? 0.319   -4.063  -18.193 1   34.639 ? 116 ALA   A N    1 ? 1 
ATOM   1529 C CA   . ALA   A 1 104 ? 0.343   -4.677  -16.881 1   34.858 ? 116 ALA   A CA   1 ? 1 
ATOM   1530 C C    . ALA   A 1 104 ? 0.615   -6.182  -16.933 1   31.991 ? 116 ALA   A C    1 ? 1 
ATOM   1531 O O    . ALA   A 1 104 ? 1.178   -6.748  -15.979 1   32.307 ? 116 ALA   A O    1 ? 1 
ATOM   1532 C CB   . ALA   A 1 104 ? -0.968  -4.385  -16.161 1   34.749 ? 116 ALA   A CB   1 ? 1 
ATOM   1533 H H    . ALA   A 1 104 ? -0.469  -3.726  -18.513 1   33.944 ? 116 ALA   A H    1 c 1 
ATOM   1534 H HA   . ALA   A 1 104 ? 1.084   -4.255  -16.364 1   35.941 ? 116 ALA   A HA   1 c 1 
ATOM   1535 H HB1  . ALA   A 1 104 ? -1.091  -3.424  -16.082 1   35.844 ? 116 ALA   A HB1  1 c 1 
ATOM   1536 H HB2  . ALA   A 1 104 ? -1.709  -4.763  -16.663 1   33.642 ? 116 ALA   A HB2  1 c 1 
ATOM   1537 H HB3  . ALA   A 1 104 ? -0.947  -4.779  -15.272 1   35.358 ? 116 ALA   A HB3  1 c 1 
ATOM   1538 N N    . GLY   A 1 105 ? 0.123   -6.847  -17.968 1   29.86  ? 117 GLY   A N    1 ? 1 
ATOM   1539 C CA   . GLY   A 1 105 ? 0.168   -8.302  -17.997 1   30.006 ? 117 GLY   A CA   1 ? 1 
ATOM   1540 C C    . GLY   A 1 105 ? -0.748  -8.922  -16.95  1   29.583 ? 117 GLY   A C    1 ? 1 
ATOM   1541 O O    . GLY   A 1 105 ? -1.684  -8.291  -16.511 1   29.837 ? 117 GLY   A O    1 ? 1 
ATOM   1542 H H    . GLY   A 1 105 ? -0.251  -6.398  -18.67  1   29.444 ? 117 GLY   A H    1 c 1 
ATOM   1543 H HA2  . GLY   A 1 105 ? -0.102  -8.613  -18.893 1   28.935 ? 117 GLY   A HA2  1 c 1 
ATOM   1544 H HA3  . GLY   A 1 105 ? 1.096   -8.599  -17.841 1   30.302 ? 117 GLY   A HA3  1 c 1 
ATOM   1545 N N    . SER   A 1 106 ? -0.479  -10.185 -16.608 1   28.608 ? 118 SER   A N    1 ? 1 
ATOM   1546 C CA   . SER   A 1 106 ? -1.251  -10.908 -15.613 1   29.806 ? 118 SER   A CA   1 ? 1 
ATOM   1547 C C    . SER   A 1 106 ? -0.249  -11.856 -14.974 1   30.447 ? 118 SER   A C    1 ? 1 
ATOM   1548 O O    . SER   A 1 106 ? -0.325  -13.057 -15.152 1   28.982 ? 118 SER   A O    1 ? 1 
ATOM   1549 C CB   . SER   A 1 106 ? -2.457  -11.604 -16.193 1   28.445 ? 118 SER   A CB   1 ? 1 
ATOM   1550 O OG   . SER   A 1 106 ? -3.267  -12.188 -15.175 1   30.459 ? 118 SER   A OG   1 ? 1 
ATOM   1551 H H    . SER   A 1 106 ? 0.213   -10.616 -17.022 1   28.733 ? 118 SER   A H    1 c 1 
ATOM   1552 H HA   . SER   A 1 106 ? -1.556  -10.265 -14.923 1   30.44  ? 118 SER   A HA   1 c 1 
ATOM   1553 H HB2  . SER   A 1 106 ? -2.988  -10.958 -16.697 1   27.982 ? 118 SER   A HB2  1 c 1 
ATOM   1554 H HB3  . SER   A 1 106 ? -2.163  -12.299 -16.811 1   28.065 ? 118 SER   A HB3  1 c 1 
ATOM   1555 H HG   . SER   A 1 106 ? -3.935  -12.549 -15.56  0   20     ? 118 SER   A HG   1 c 1 
ATOM   1556 N N    . LEU   A 1 107 ? 0.689   -11.254 -14.252 1   30.575 ? 119 LEU   A N    1 ? 1 
ATOM   1557 C CA   . LEU   A 1 107 ? 1.828   -11.983 -13.731 1   32.043 ? 119 LEU   A CA   1 ? 1 
ATOM   1558 C C    . LEU   A 1 107 ? 1.374   -12.894 -12.604 1   32.84  ? 119 LEU   A C    1 ? 1 
ATOM   1559 O O    . LEU   A 1 107 ? 0.512   -12.49  -11.763 1   33.012 ? 119 LEU   A O    1 ? 1 
ATOM   1560 C CB   . LEU   A 1 107 ? 2.96    -11.064 -13.288 1   34.921 ? 119 LEU   A CB   1 ? 1 
ATOM   1561 C CG   . LEU   A 1 107 ? 3.843   -10.507 -14.413 1   38.081 ? 119 LEU   A CG   1 ? 1 
ATOM   1562 C CD1  . LEU   A 1 107 ? 4.57    -11.623 -15.158 1   37.366 ? 119 LEU   A CD1  1 ? 1 
ATOM   1563 C CD2  . LEU   A 1 107 ? 3.077   -9.66   -15.367 1   40.775 ? 119 LEU   A CD2  1 ? 1 
ATOM   1564 H H    . LEU   A 1 107 ? 0.616   -10.36  -14.071 1   31.165 ? 119 LEU   A H    1 c 1 
ATOM   1565 H HA   . LEU   A 1 107 ? 2.161   -12.556 -14.462 1   31.529 ? 119 LEU   A HA   1 c 1 
ATOM   1566 H HB2  . LEU   A 1 107 ? 2.567   -10.306 -12.797 1   35.771 ? 119 LEU   A HB2  1 c 1 
ATOM   1567 H HB3  . LEU   A 1 107 ? 3.533   -11.56  -12.66  1   36.281 ? 119 LEU   A HB3  1 c 1 
ATOM   1568 H HG   . LEU   A 1 107 ? 4.534   -9.93   -13.996 1   39.034 ? 119 LEU   A HG   1 c 1 
ATOM   1569 H HD11 . LEU   A 1 107 ? 5.052   -12.178 -14.522 1   38.629 ? 119 LEU   A HD11 1 c 1 
ATOM   1570 H HD12 . LEU   A 1 107 ? 5.201   -11.234 -15.788 1   37.557 ? 119 LEU   A HD12 1 c 1 
ATOM   1571 H HD13 . LEU   A 1 107 ? 3.928   -12.168 -15.641 1   36.204 ? 119 LEU   A HD13 1 c 1 
ATOM   1572 H HD21 . LEU   A 1 107 ? 2.798   -8.843  -14.923 1   40.229 ? 119 LEU   A HD21 1 c 1 
ATOM   1573 H HD22 . LEU   A 1 107 ? 2.296   -10.141 -15.68  1   38.148 ? 119 LEU   A HD22 1 c 1 
ATOM   1574 H HD23 . LEU   A 1 107 ? 3.642   -9.436  -16.126 1   39.561 ? 119 LEU   A HD23 1 c 1 
ATOM   1575 N N    . PRO   A 1 108 ? 2.015   -14.069 -12.435 1   33.269 ? 120 PRO   A N    1 ? 1 
ATOM   1576 C CA   . PRO   A 1 108 ? 3.151   -14.543 -13.218 1   33.377 ? 120 PRO   A CA   1 ? 1 
ATOM   1577 C C    . PRO   A 1 108 ? 2.77    -15.236 -14.526 1   31.936 ? 120 PRO   A C    1 ? 1 
ATOM   1578 O O    . PRO   A 1 108 ? 3.657   -15.557 -15.272 1   33.803 ? 120 PRO   A O    1 ? 1 
ATOM   1579 C CB   . PRO   A 1 108 ? 3.869   -15.577 -12.323 1   36.245 ? 120 PRO   A CB   1 ? 1 
ATOM   1580 C CG   . PRO   A 1 108 ? 2.98    -15.742 -11.165 1   38.511 ? 120 PRO   A CG   1 ? 1 
ATOM   1581 C CD   . PRO   A 1 108 ? 1.746   -14.934 -11.279 1   35.372 ? 120 PRO   A CD   1 ? 1 
ATOM   1582 H HA   . PRO   A 1 108 ? 3.757   -13.797 -13.404 1   33.726 ? 120 PRO   A HA   1 c 1 
ATOM   1583 H HB2  . PRO   A 1 108 ? 3.989   -16.425 -12.793 1   36.184 ? 120 PRO   A HB2  1 c 1 
ATOM   1584 H HB3  . PRO   A 1 108 ? 4.745   -15.245 -12.044 1   37.475 ? 120 PRO   A HB3  1 c 1 
ATOM   1585 H HG2  . PRO   A 1 108 ? 2.738   -16.685 -11.075 1   38.309 ? 120 PRO   A HG2  1 c 1 
ATOM   1586 H HG3  . PRO   A 1 108 ? 3.458   -15.484 -10.351 1   39.628 ? 120 PRO   A HG3  1 c 1 
ATOM   1587 H HD2  . PRO   A 1 108 ? 0.968   -15.499 -11.441 1   35.164 ? 120 PRO   A HD2  1 c 1 
ATOM   1588 H HD3  . PRO   A 1 108 ? 1.596   -14.401 -10.474 1   36.704 ? 120 PRO   A HD3  1 c 1 
ATOM   1589 N N    . LYS   A 1 109 ? 1.505   -15.572 -14.757 1   31.507 ? 121 LYS   A N    1 ? 1 
ATOM   1590 C CA   . LYS   A 1 109 ? 1.122   -16.388 -15.924 1   32.245 ? 121 LYS   A CA   1 ? 1 
ATOM   1591 C C    . LYS   A 1 109 ? 1.428   -15.67  -17.247 1   32.314 ? 121 LYS   A C    1 ? 1 
ATOM   1592 O O    . LYS   A 1 109 ? 1.94    -16.29  -18.171 1   32.664 ? 121 LYS   A O    1 ? 1 
ATOM   1593 C CB   . LYS   A 1 109 ? -0.355  -16.834 -15.951 1   33.22  ? 121 LYS   A CB   1 ? 1 
ATOM   1594 H H    . LYS   A 1 109 ? 0.852   -15.294 -14.181 1   31.969 ? 121 LYS   A H    1 c 1 
ATOM   1595 H HA   . LYS   A 1 109 ? 1.669   -17.214 -15.9   1   33.408 ? 121 LYS   A HA   1 c 1 
ATOM   1596 H HB2  . LYS   A 1 109 ? -0.38   -17.793 -15.846 0   20     ? 121 LYS   A HB2  1 c 1 
ATOM   1597 H HB3  . LYS   A 1 109 ? -0.894  -16.009 -15.926 0   20     ? 121 LYS   A HB3  1 c 1 
ATOM   1598 N N    . ILE   A 1 110 ? 1.096   -14.378 -17.358 1   30.585 ? 122 ILE   A N    1 ? 1 
ATOM   1599 C CA   . ILE   A 1 110 ? 1.245   -13.641 -18.606 1   29.38  ? 122 ILE   A CA   1 ? 1 
ATOM   1600 C C    . ILE   A 1 110 ? 2.135   -12.433 -18.366 1   30.317 ? 122 ILE   A C    1 ? 1 
ATOM   1601 O O    . ILE   A 1 110 ? 1.777   -11.599 -17.543 1   29.504 ? 122 ILE   A O    1 ? 1 
ATOM   1602 C CB   . ILE   A 1 110 ? -0.109  -13.159 -19.141 1   29.24  ? 122 ILE   A CB   1 ? 1 
ATOM   1603 C CG1  . ILE   A 1 110 ? -1.242  -14.192 -19.163 1   31.79  ? 122 ILE   A CG1  1 ? 1 
ATOM   1604 C CG2  . ILE   A 1 110 ? 0.068   -12.488 -20.481 1   29.578 ? 122 ILE   A CG2  1 ? 1 
ATOM   1605 C CD1  . ILE   A 1 110 ? -1.062  -15.343 -20.07  1   32.129 ? 122 ILE   A CD1  1 ? 1 
ATOM   1606 H H    . ILE   A 1 110 ? 0.76    -13.941 -16.629 1   30.773 ? 122 ILE   A H    1 c 1 
ATOM   1607 H HA   . ILE   A 1 110 ? 1.658   -14.22  -19.273 1   29.666 ? 122 ILE   A HA   1 c 1 
ATOM   1608 H HB   . ILE   A 1 110 ? -0.405  -12.458 -18.526 1   29.67  ? 122 ILE   A HB   1 c 1 
ATOM   1609 H HG12 . ILE   A 1 110 ? -1.362  -14.535 -18.253 1   31.511 ? 122 ILE   A HG12 1 c 1 
ATOM   1610 H HG13 . ILE   A 1 110 ? -2.07   -13.733 -19.412 1   30.554 ? 122 ILE   A HG13 1 c 1 
ATOM   1611 H HG21 . ILE   A 1 110 ? -0.804  -12.292 -20.863 1   28.574 ? 122 ILE   A HG21 1 c 1 
ATOM   1612 H HG22 . ILE   A 1 110 ? 0.555   -13.08  -21.079 1   29.706 ? 122 ILE   A HG22 1 c 1 
ATOM   1613 H HG23 . ILE   A 1 110 ? 0.564   -11.66  -20.371 1   29.733 ? 122 ILE   A HG23 1 c 1 
ATOM   1614 H HD11 . ILE   A 1 110 ? -0.992  -15.029 -20.992 1   31.725 ? 122 ILE   A HD11 1 c 1 
ATOM   1615 H HD12 . ILE   A 1 110 ? -1.831  -15.937 -19.988 1   31.979 ? 122 ILE   A HD12 1 c 1 
ATOM   1616 H HD13 . ILE   A 1 110 ? -0.249  -15.828 -19.831 1   32.932 ? 122 ILE   A HD13 1 c 1 
ATOM   1617 N N    . PRO   A 1 111 ? 3.277   -12.276 -19.087 1   30.543 ? 123 PRO   A N    1 ? 1 
ATOM   1618 C CA   . PRO   A 1 111 ? 4.137   -11.102 -18.931 1   30.687 ? 123 PRO   A CA   1 ? 1 
ATOM   1619 C C    . PRO   A 1 111 ? 3.522   -9.813  -19.487 1   30.504 ? 123 PRO   A C    1 ? 1 
ATOM   1620 O O    . PRO   A 1 111 ? 2.513   -9.829  -20.208 1   29.887 ? 123 PRO   A O    1 ? 1 
ATOM   1621 C CB   . PRO   A 1 111 ? 5.453   -11.504 -19.593 1   32.903 ? 123 PRO   A CB   1 ? 1 
ATOM   1622 C CG   . PRO   A 1 111 ? 5.051   -12.598 -20.511 1   31.904 ? 123 PRO   A CG   1 ? 1 
ATOM   1623 C CD   . PRO   A 1 111 ? 3.803   -13.247 -20.065 1   30.451 ? 123 PRO   A CD   1 ? 1 
ATOM   1624 H HA   . PRO   A 1 111 ? 4.31    -10.972 -17.975 1   31.897 ? 123 PRO   A HA   1 c 1 
ATOM   1625 H HB2  . PRO   A 1 111 ? 5.841   -10.755 -20.087 1   32.951 ? 123 PRO   A HB2  1 c 1 
ATOM   1626 H HB3  . PRO   A 1 111 ? 6.096   -11.821 -18.93  1   33.675 ? 123 PRO   A HB3  1 c 1 
ATOM   1627 H HG2  . PRO   A 1 111 ? 4.923   -12.239 -21.412 1   31.67  ? 123 PRO   A HG2  1 c 1 
ATOM   1628 H HG3  . PRO   A 1 111 ? 5.764   -13.266 -20.558 1   32.804 ? 123 PRO   A HG3  1 c 1 
ATOM   1629 H HD2  . PRO   A 1 111 ? 3.178   -13.369 -20.806 1   29.656 ? 123 PRO   A HD2  1 c 1 
ATOM   1630 H HD3  . PRO   A 1 111 ? 3.98    -14.109 -19.641 1   31.083 ? 123 PRO   A HD3  1 c 1 
ATOM   1631 N N    . SER   A 1 112 ? 4.153   -8.699  -19.112 1   31.462 ? 124 SER   A N    1 ? 1 
ATOM   1632 C CA   . SER   A 1 112 ? 3.93    -7.396  -19.709 1   33.164 ? 124 SER   A CA   1 ? 1 
ATOM   1633 C C    . SER   A 1 112 ? 4.041   -7.47   -21.229 1   32.192 ? 124 SER   A C    1 ? 1 
ATOM   1634 O O    . SER   A 1 112 ? 4.949   -8.1    -21.744 1   34.733 ? 124 SER   A O    1 ? 1 
ATOM   1635 C CB   . SER   A 1 112 ? 4.928   -6.399  -19.166 1   36.566 ? 124 SER   A CB   1 ? 1 
ATOM   1636 O OG   . SER   A 1 112 ? 4.622   -6.23   -17.792 1   44.629 ? 124 SER   A OG   1 ? 1 
ATOM   1637 H H    . SER   A 1 112 ? 4.764   -8.76   -18.435 1   32.639 ? 124 SER   A H    1 c 1 
ATOM   1638 H HA   . SER   A 1 112 ? 3.016   -7.095  -19.471 1   32.223 ? 124 SER   A HA   1 c 1 
ATOM   1639 H HB2  . SER   A 1 112 ? 5.835   -6.742  -19.271 1   38.1   ? 124 SER   A HB2  1 c 1 
ATOM   1640 H HB3  . SER   A 1 112 ? 4.844   -5.549  -19.638 1   37.243 ? 124 SER   A HB3  1 c 1 
ATOM   1641 H HG   . SER   A 1 112 ? 5.069   -5.591  -17.472 0   20     ? 124 SER   A HG   1 c 1 
ATOM   1642 N N    . ASN   A 1 113 ? 3.161   -6.752  -21.919 1   30.504 ? 125 ASN   A N    1 ? 1 
ATOM   1643 C CA   . ASN   A 1 113 ? 3.252   -6.552  -23.36  1   31.809 ? 125 ASN   A CA   1 ? 1 
ATOM   1644 C C    . ASN   A 1 113 ? 3.329   -7.872  -24.148 1   32.407 ? 125 ASN   A C    1 ? 1 
ATOM   1645 O O    . ASN   A 1 113 ? 4.093   -7.973  -25.128 1   33.115 ? 125 ASN   A O    1 ? 1 
ATOM   1646 C CB   . ASN   A 1 113 ? 4.426   -5.629  -23.667 1   34.532 ? 125 ASN   A CB   1 ? 1 
ATOM   1647 C CG   . ASN   A 1 113 ? 4.277   -4.326  -22.906 1   36.361 ? 125 ASN   A CG   1 ? 1 
ATOM   1648 O OD1  . ASN   A 1 113 ? 3.21    -3.71   -22.984 1   36.017 ? 125 ASN   A OD1  1 ? 1 
ATOM   1649 N ND2  . ASN   A 1 113 ? 5.276   -3.927  -22.13  1   39.451 ? 125 ASN   A ND2  1 ? 1 
ATOM   1650 H H    . ASN   A 1 113 ? 2.465   -6.364  -21.473 1   30.487 ? 125 ASN   A H    1 c 1 
ATOM   1651 H HA   . ASN   A 1 113 ? 2.435   -6.084  -23.646 1   31.434 ? 125 ASN   A HA   1 c 1 
ATOM   1652 H HB2  . ASN   A 1 113 ? 5.263   -6.065  -23.412 1   35.249 ? 125 ASN   A HB2  1 c 1 
ATOM   1653 H HB3  . ASN   A 1 113 ? 4.455   -5.443  -24.626 1   34.963 ? 125 ASN   A HB3  1 c 1 
ATOM   1654 H HD21 . ASN   A 1 113 ? 5.183   -3.198  -21.632 1   40.013 ? 125 ASN   A HD21 1 c 1 
ATOM   1655 H HD22 . ASN   A 1 113 ? 6.035   -4.384  -22.107 1   39.769 ? 125 ASN   A HD22 1 c 1 
ATOM   1656 N N    . ALA   A 1 114 ? 2.51    -8.859  -23.771 1   31.029 ? 126 ALA   A N    1 ? 1 
ATOM   1657 C CA   . ALA   A 1 114 ? 2.525   -10.165 -24.416 1   30.122 ? 126 ALA   A CA   1 ? 1 
ATOM   1658 C C    . ALA   A 1 114 ? 1.583   -10.208 -25.622 1   28.575 ? 126 ALA   A C    1 ? 1 
ATOM   1659 O O    . ALA   A 1 114 ? 0.449   -9.751  -25.578 1   27.482 ? 126 ALA   A O    1 ? 1 
ATOM   1660 C CB   . ALA   A 1 114 ? 2.188   -11.263 -23.438 1   30.449 ? 126 ALA   A CB   1 ? 1 
ATOM   1661 H H    . ALA   A 1 114 ? 1.918   -8.714  -23.09  1   30.397 ? 126 ALA   A H    1 c 1 
ATOM   1662 H HA   . ALA   A 1 114 ? 3.45    -10.323 -24.751 1   31.041 ? 126 ALA   A HA   1 c 1 
ATOM   1663 H HB1  . ALA   A 1 114 ? 2.831   -11.26  -22.709 1   30.709 ? 126 ALA   A HB1  1 c 1 
ATOM   1664 H HB2  . ALA   A 1 114 ? 1.296   -11.119 -23.08  1   29.648 ? 126 ALA   A HB2  1 c 1 
ATOM   1665 H HB3  . ALA   A 1 114 ? 2.219   -12.123 -23.89  1   30.305 ? 126 ALA   A HB3  1 c 1 
ATOM   1666 N N    . THR   A 1 115 ? 2.077   -10.792 -26.723 1   26.421 ? 127 THR   A N    1 ? 1 
ATOM   1667 C CA   . THR   A 1 115 ? 1.227   -11.185 -27.835 1   28.293 ? 127 THR   A CA   1 ? 1 
ATOM   1668 C C    . THR   A 1 115 ? 0.766   -12.605 -27.603 1   25.789 ? 127 THR   A C    1 ? 1 
ATOM   1669 O O    . THR   A 1 115 ? 1.574   -13.46  -27.238 1   28.402 ? 127 THR   A O    1 ? 1 
ATOM   1670 C CB   . THR   A 1 115 ? 2.079   -11.097 -29.098 1   29.499 ? 127 THR   A CB   1 ? 1 
ATOM   1671 O OG1  . THR   A 1 115 ? 2.514   -9.755  -29.278 1   32.617 ? 127 THR   A OG1  1 ? 1 
ATOM   1672 C CG2  . THR   A 1 115 ? 1.325   -11.509 -30.36  1   32.128 ? 127 THR   A CG2  1 ? 1 
ATOM   1673 H H    . THR   A 1 115 ? 2.976   -10.949 -26.78  1   28.392 ? 127 THR   A H    1 c 1 
ATOM   1674 H HA   . THR   A 1 115 ? 0.461   -10.579 -27.902 1   26.902 ? 127 THR   A HA   1 c 1 
ATOM   1675 H HB   . THR   A 1 115 ? 2.869   -11.681 -28.999 1   31.196 ? 127 THR   A HB   1 c 1 
ATOM   1676 H HG1  . THR   A 1 115 ? 1.784   -9.224  -29.332 0   20     ? 127 THR   A HG1  1 c 1 
ATOM   1677 H HG21 . THR   A 1 115 ? 1.915   -11.428 -31.129 1   33.063 ? 127 THR   A HG21 1 c 1 
ATOM   1678 H HG22 . THR   A 1 115 ? 0.556   -10.929 -30.483 1   30.909 ? 127 THR   A HG22 1 c 1 
ATOM   1679 H HG23 . THR   A 1 115 ? 1.027   -12.43  -30.278 1   31.24  ? 127 THR   A HG23 1 c 1 
ATOM   1680 N N    . LEU   A 1 116 ? -0.493  -12.851 -27.89  1   27.116 ? 128 LEU   A N    1 ? 1 
ATOM   1681 C CA   . LEU   A 1 116 ? -1.138  -14.132 -27.664 1   27.678 ? 128 LEU   A CA   1 ? 1 
ATOM   1682 C C    . LEU   A 1 116 ? -1.59   -14.699 -29.007 1   28.087 ? 128 LEU   A C    1 ? 1 
ATOM   1683 O O    . LEU   A 1 116 ? -1.985  -13.926 -29.9   1   28.094 ? 128 LEU   A O    1 ? 1 
ATOM   1684 C CB   . LEU   A 1 116 ? -2.353  -14.071 -26.744 1   27.244 ? 128 LEU   A CB   1 ? 1 
ATOM   1685 C CG   . LEU   A 1 116 ? -2.131  -13.506 -25.322 1   30.976 ? 128 LEU   A CG   1 ? 1 
ATOM   1686 C CD1  . LEU   A 1 116 ? -3.293  -13.863 -24.416 1   28.585 ? 128 LEU   A CD1  1 ? 1 
ATOM   1687 C CD2  . LEU   A 1 116 ? -0.916  -13.649 -24.631 1   31.552 ? 128 LEU   A CD2  1 ? 1 
ATOM   1688 H H    . LEU   A 1 116 ? -0.993  -12.18  -28.258 1   26.368 ? 128 LEU   A H    1 c 1 
ATOM   1689 H HA   . LEU   A 1 116 ? -0.47   -14.75  -27.272 1   28.243 ? 128 LEU   A HA   1 c 1 
ATOM   1690 H HB2  . LEU   A 1 116 ? -3.043  -13.525 -27.187 1   27.158 ? 128 LEU   A HB2  1 c 1 
ATOM   1691 H HB3  . LEU   A 1 116 ? -2.716  -14.982 -26.66  1   27.703 ? 128 LEU   A HB3  1 c 1 
ATOM   1692 H HG   . LEU   A 1 116 ? -2.211  -12.523 -25.429 1   29.596 ? 128 LEU   A HG   1 c 1 
ATOM   1693 H HD11 . LEU   A 1 116 ? -4.124  -13.559 -24.819 1   28.455 ? 128 LEU   A HD11 1 c 1 
ATOM   1694 H HD12 . LEU   A 1 116 ? -3.178  -13.433 -23.553 1   28.675 ? 128 LEU   A HD12 1 c 1 
ATOM   1695 H HD13 . LEU   A 1 116 ? -3.327  -14.827 -24.295 1   29.192 ? 128 LEU   A HD13 1 c 1 
ATOM   1696 H HD21 . LEU   A 1 116 ? -0.191  -13.282 -25.164 1   31.672 ? 128 LEU   A HD21 1 c 1 
ATOM   1697 H HD22 . LEU   A 1 116 ? -0.749  -14.591 -24.466 1   32.107 ? 128 LEU   A HD22 1 c 1 
ATOM   1698 H HD23 . LEU   A 1 116 ? -0.963  -13.176 -23.783 1   31.374 ? 128 LEU   A HD23 1 c 1 
ATOM   1699 N N    . PHE   A 1 117 ? -1.607  -16.05  -29.031 1   27.742 ? 129 PHE   A N    1 ? 1 
ATOM   1700 C CA   . PHE   A 1 117 ? -2.195  -16.81  -30.129 1   28.606 ? 129 PHE   A CA   1 ? 1 
ATOM   1701 C C    . PHE   A 1 117 ? -3.261  -17.774 -29.624 1   29.015 ? 129 PHE   A C    1 ? 1 
ATOM   1702 O O    . PHE   A 1 117 ? -3.057  -18.438 -28.594 1   28.978 ? 129 PHE   A O    1 ? 1 
ATOM   1703 C CB   . PHE   A 1 117 ? -1.107  -17.566 -30.873 1   30.276 ? 129 PHE   A CB   1 ? 1 
ATOM   1704 C CG   . PHE   A 1 117 ? -1.651  -18.486 -31.961 1   33.961 ? 129 PHE   A CG   1 ? 1 
ATOM   1705 C CD1  . PHE   A 1 117 ? -2.014  -19.789 -31.668 1   34.431 ? 129 PHE   A CD1  1 ? 1 
ATOM   1706 C CD2  . PHE   A 1 117 ? -1.833  -18.031 -33.274 1   35.182 ? 129 PHE   A CD2  1 ? 1 
ATOM   1707 C CE1  . PHE   A 1 117 ? -2.491  -20.63  -32.653 1   37.443 ? 129 PHE   A CE1  1 ? 1 
ATOM   1708 C CE2  . PHE   A 1 117 ? -2.378  -18.859 -34.245 1   36.276 ? 129 PHE   A CE2  1 ? 1 
ATOM   1709 C CZ   . PHE   A 1 117 ? -2.7    -20.152 -33.919 1   37.842 ? 129 PHE   A CZ   1 ? 1 
ATOM   1710 H H    . PHE   A 1 117 ? -1.235  -16.511 -28.335 1   28.063 ? 129 PHE   A H    1 c 1 
ATOM   1711 H HA   . PHE   A 1 117 ? -2.618  -16.173 -30.758 1   28.321 ? 129 PHE   A HA   1 c 1 
ATOM   1712 H HB2  . PHE   A 1 117 ? -0.495  -16.914 -31.282 1   31.02  ? 129 PHE   A HB2  1 c 1 
ATOM   1713 H HB3  . PHE   A 1 117 ? -0.597  -18.102 -30.226 1   31.051 ? 129 PHE   A HB3  1 c 1 
ATOM   1714 H HD1  . PHE   A 1 117 ? -1.881  -20.122 -30.794 1   34.257 ? 129 PHE   A HD1  1 c 1 
ATOM   1715 H HD2  . PHE   A 1 117 ? -1.626  -17.136 -33.487 1   34.601 ? 129 PHE   A HD2  1 c 1 
ATOM   1716 H HE1  . PHE   A 1 117 ? -2.738  -21.513 -32.437 1   37.645 ? 129 PHE   A HE1  1 c 1 
ATOM   1717 H HE2  . PHE   A 1 117 ? -2.489  -18.547 -35.129 1   37.134 ? 129 PHE   A HE2  1 c 1 
ATOM   1718 H HZ   . PHE   A 1 117 ? -3.036  -20.729 -34.584 1   38.62  ? 129 PHE   A HZ   1 c 1 
ATOM   1719 N N    . PHE   A 1 118 ? -4.388  -17.837 -30.345 1   28.685 ? 130 PHE   A N    1 ? 1 
ATOM   1720 C CA   . PHE   A 1 118 ? -5.424  -18.806 -30.074 1   29.726 ? 130 PHE   A CA   1 ? 1 
ATOM   1721 C C    . PHE   A 1 118 ? -5.89   -19.504 -31.33  1   31.084 ? 130 PHE   A C    1 ? 1 
ATOM   1722 O O    . PHE   A 1 118 ? -5.969  -18.895 -32.384 1   32.174 ? 130 PHE   A O    1 ? 1 
ATOM   1723 C CB   . PHE   A 1 118 ? -6.682  -18.242 -29.414 1   27.842 ? 130 PHE   A CB   1 ? 1 
ATOM   1724 C CG   . PHE   A 1 118 ? -6.444  -17.649 -28.028 1   26.54  ? 130 PHE   A CG   1 ? 1 
ATOM   1725 C CD1  . PHE   A 1 118 ? -6.004  -16.351 -27.886 1   26.024 ? 130 PHE   A CD1  1 ? 1 
ATOM   1726 C CD2  . PHE   A 1 118 ? -6.67   -18.412 -26.888 1   27.231 ? 130 PHE   A CD2  1 ? 1 
ATOM   1727 C CE1  . PHE   A 1 118 ? -5.772  -15.82  -26.62  1   25.816 ? 130 PHE   A CE1  1 ? 1 
ATOM   1728 C CE2  . PHE   A 1 118 ? -6.536  -17.847 -25.619 1   25.8   ? 130 PHE   A CE2  1 ? 1 
ATOM   1729 C CZ   . PHE   A 1 118 ? -6.08   -16.564 -25.487 1   25.483 ? 130 PHE   A CZ   1 ? 1 
ATOM   1730 H H    . PHE   A 1 118 ? -4.509  -17.251 -31.036 1   28.895 ? 130 PHE   A H    1 c 1 
ATOM   1731 H HA   . PHE   A 1 118 ? -5.045  -19.49  -29.466 1   29.889 ? 130 PHE   A HA   1 c 1 
ATOM   1732 H HB2  . PHE   A 1 118 ? -7.056  -17.545 -29.998 1   27.673 ? 130 PHE   A HB2  1 c 1 
ATOM   1733 H HB3  . PHE   A 1 118 ? -7.347  -18.963 -29.341 1   28.348 ? 130 PHE   A HB3  1 c 1 
ATOM   1734 H HD1  . PHE   A 1 118 ? -5.814  -15.836 -28.654 1   26.228 ? 130 PHE   A HD1  1 c 1 
ATOM   1735 H HD2  . PHE   A 1 118 ? -7.02   -19.284 -26.976 1   27.638 ? 130 PHE   A HD2  1 c 1 
ATOM   1736 H HE1  . PHE   A 1 118 ? -5.486  -14.924 -26.531 1   25.253 ? 130 PHE   A HE1  1 c 1 
ATOM   1737 H HE2  . PHE   A 1 118 ? -6.693  -18.373 -24.851 1   26.15  ? 130 PHE   A HE2  1 c 1 
ATOM   1738 H HZ   . PHE   A 1 118 ? -5.93   -16.202 -24.629 1   25.242 ? 130 PHE   A HZ   1 c 1 
ATOM   1739 N N    . GLU   A 1 119 ? -6.202  -20.785 -31.171 1   31.891 ? 131 GLU   A N    1 ? 1 
ATOM   1740 C CA   . GLU   A 1 119 ? -7.028  -21.519 -32.085 1   34.17  ? 131 GLU   A CA   1 ? 1 
ATOM   1741 C C    . GLU   A 1 119 ? -8.351  -21.773 -31.392 1   34.231 ? 131 GLU   A C    1 ? 1 
ATOM   1742 O O    . GLU   A 1 119 ? -8.346  -22.312 -30.289 1   35.14  ? 131 GLU   A O    1 ? 1 
ATOM   1743 C CB   . GLU   A 1 119 ? -6.336  -22.808 -32.519 1   37.646 ? 131 GLU   A CB   1 ? 1 
ATOM   1744 C CG   . GLU   A 1 119 ? -7.259  -23.71  -33.334 1   41.749 ? 131 GLU   A CG   1 ? 1 
ATOM   1745 C CD   . GLU   A 1 119 ? -6.489  -24.962 -33.753 1   45.185 ? 131 GLU   A CD   1 ? 1 
ATOM   1746 O OE1  . GLU   A 1 119 ? -5.551  -24.877 -34.567 1   45.589 ? 131 GLU   A OE1  1 ? 1 
ATOM   1747 O OE2  . GLU   A 1 119 ? -6.631  -26.102 -33.15  1   48.203 ? 131 GLU   A OE2  1 ? 1 
ATOM   1748 H H    . GLU   A 1 119 ? -5.875  -21.226 -30.439 1   32.459 ? 131 GLU   A H    1 c 1 
ATOM   1749 H HA   . GLU   A 1 119 ? -7.186  -20.96  -32.885 1   34.187 ? 131 GLU   A HA   1 c 1 
ATOM   1750 H HB2  . GLU   A 1 119 ? -5.549  -22.58  -33.058 1   39.039 ? 131 GLU   A HB2  1 c 1 
ATOM   1751 H HB3  . GLU   A 1 119 ? -6.026  -23.288 -31.723 1   38.509 ? 131 GLU   A HB3  1 c 1 
ATOM   1752 H HG2  . GLU   A 1 119 ? -8.034  -23.974 -32.794 1   42.042 ? 131 GLU   A HG2  1 c 1 
ATOM   1753 H HG3  . GLU   A 1 119 ? -7.572  -23.236 -34.134 1   42.422 ? 131 GLU   A HG3  1 c 1 
ATOM   1754 N N    . ILE   A 1 120 ? -9.449  -21.288 -32.024 1   32.926 ? 132 ILE   A N    1 ? 1 
ATOM   1755 C CA   . ILE   A 1 120 ? -10.755 -21.385 -31.425 1   33.62  ? 132 ILE   A CA   1 ? 1 
ATOM   1756 C C    . ILE   A 1 120 ? -11.7   -22.073 -32.368 1   34.029 ? 132 ILE   A C    1 ? 1 
ATOM   1757 O O    . ILE   A 1 120 ? -11.836 -21.671 -33.536 1   36.655 ? 132 ILE   A O    1 ? 1 
ATOM   1758 C CB   . ILE   A 1 120 ? -11.317 -19.991 -31.055 1   32.353 ? 132 ILE   A CB   1 ? 1 
ATOM   1759 C CG1  . ILE   A 1 120 ? -10.342 -19.192 -30.193 1   31.581 ? 132 ILE   A CG1  1 ? 1 
ATOM   1760 C CG2  . ILE   A 1 120 ? -12.69  -20.143 -30.429 1   32.781 ? 132 ILE   A CG2  1 ? 1 
ATOM   1761 C CD1  . ILE   A 1 120 ? -10.726 -17.721 -30.007 1   30.839 ? 132 ILE   A CD1  1 ? 1 
ATOM   1762 H H    . ILE   A 1 120 ? -9.366  -20.894 -32.845 1   33.893 ? 132 ILE   A H    1 c 1 
ATOM   1763 H HA   . ILE   A 1 120 ? -10.684 -21.913 -30.608 1   33.46  ? 132 ILE   A HA   1 c 1 
ATOM   1764 H HB   . ILE   A 1 120 ? -11.432 -19.497 -31.891 1   32.593 ? 132 ILE   A HB   1 c 1 
ATOM   1765 H HG12 . ILE   A 1 120 ? -10.284 -19.615 -29.312 1   31.449 ? 132 ILE   A HG12 1 c 1 
ATOM   1766 H HG13 . ILE   A 1 120 ? -9.454  -19.232 -30.602 1   32.02  ? 132 ILE   A HG13 1 c 1 
ATOM   1767 H HG21 . ILE   A 1 120 ? -13.02  -19.273 -30.15  1   31.734 ? 132 ILE   A HG21 1 c 1 
ATOM   1768 H HG22 . ILE   A 1 120 ? -12.631 -20.728 -29.654 1   32.882 ? 132 ILE   A HG22 1 c 1 
ATOM   1769 H HG23 . ILE   A 1 120 ? -13.306 -20.527 -31.075 1   33.764 ? 132 ILE   A HG23 1 c 1 
ATOM   1770 H HD11 . ILE   A 1 120 ? -10.812 -17.295 -30.881 1   31.012 ? 132 ILE   A HD11 1 c 1 
ATOM   1771 H HD12 . ILE   A 1 120 ? -10.033 -17.266 -29.492 1   30.093 ? 132 ILE   A HD12 1 c 1 
ATOM   1772 H HD13 . ILE   A 1 120 ? -11.576 -17.657 -29.532 1   30.328 ? 132 ILE   A HD13 1 c 1 
ATOM   1773 N N    . GLU   A 1 121 ? -12.416 -23.03  -31.805 1   36.658 ? 133 GLU   A N    1 ? 1 
ATOM   1774 C CA   . GLU   A 1 121 ? -13.509 -23.697 -32.487 1   39.615 ? 133 GLU   A CA   1 ? 1 
ATOM   1775 C C    . GLU   A 1 121 ? -14.815 -23.261 -31.837 1   39.657 ? 133 GLU   A C    1 ? 1 
ATOM   1776 O O    . GLU   A 1 121 ? -15.019 -23.48  -30.657 1   39.271 ? 133 GLU   A O    1 ? 1 
ATOM   1777 C CB   . GLU   A 1 121 ? -13.421 -25.222 -32.434 1   42.491 ? 133 GLU   A CB   1 ? 1 
ATOM   1778 C CG   . GLU   A 1 121 ? -14.638 -25.918 -33.053 1   42.925 ? 133 GLU   A CG   1 ? 1 
ATOM   1779 C CD   . GLU   A 1 121 ? -14.549 -27.434 -32.995 1   47.618 ? 133 GLU   A CD   1 ? 1 
ATOM   1780 O OE1  . GLU   A 1 121 ? -13.804 -28.013 -32.14  1   48.262 ? 133 GLU   A OE1  1 ? 1 
ATOM   1781 O OE2  . GLU   A 1 121 ? -15.207 -28.055 -33.842 1   49.379 ? 133 GLU   A OE2  1 ? 1 
ATOM   1782 H H    . GLU   A 1 121 ? -12.218 -23.289 -30.951 1   36.463 ? 133 GLU   A H    1 c 1 
ATOM   1783 H HA   . GLU   A 1 121 ? -13.509 -23.414 -33.434 1   40.005 ? 133 GLU   A HA   1 c 1 
ATOM   1784 H HB2  . GLU   A 1 121 ? -12.612 -25.509 -32.907 1   43.177 ? 133 GLU   A HB2  1 c 1 
ATOM   1785 H HB3  . GLU   A 1 121 ? -13.334 -25.499 -31.498 1   42.337 ? 133 GLU   A HB3  1 c 1 
ATOM   1786 H HG2  . GLU   A 1 121 ? -15.45  -25.636 -32.58  1   43.328 ? 133 GLU   A HG2  1 c 1 
ATOM   1787 H HG3  . GLU   A 1 121 ? -14.724 -25.643 -33.99  1   44.24  ? 133 GLU   A HG3  1 c 1 
ATOM   1788 N N    . LEU   A 1 122 ? -15.687 -22.642 -32.624 1   39.857 ? 134 LEU   A N    1 ? 1 
ATOM   1789 C CA   . LEU   A 1 122 ? -16.981 -22.205 -32.131 1   38.69  ? 134 LEU   A CA   1 ? 1 
ATOM   1790 C C    . LEU   A 1 122 ? -17.964 -23.364 -32.281 1   42.769 ? 134 LEU   A C    1 ? 1 
ATOM   1791 O O    . LEU   A 1 122 ? -18.375 -23.687 -33.396 1   44.467 ? 134 LEU   A O    1 ? 1 
ATOM   1792 C CB   . LEU   A 1 122 ? -17.448 -20.968 -32.905 1   38.006 ? 134 LEU   A CB   1 ? 1 
ATOM   1793 C CG   . LEU   A 1 122 ? -18.816 -20.41  -32.51  1   38.76  ? 134 LEU   A CG   1 ? 1 
ATOM   1794 C CD1  . LEU   A 1 122 ? -18.924 -20.189 -31.006 1   36.873 ? 134 LEU   A CD1  1 ? 1 
ATOM   1795 C CD2  . LEU   A 1 122 ? -19.095 -19.125 -33.278 1   38.501 ? 134 LEU   A CD2  1 ? 1 
ATOM   1796 H H    . LEU   A 1 122 ? -15.474 -22.485 -33.499 1   40.186 ? 134 LEU   A H    1 c 1 
ATOM   1797 H HA   . LEU   A 1 122 ? -16.892 -21.975 -31.172 1   38.257 ? 134 LEU   A HA   1 c 1 
ATOM   1798 H HB2  . LEU   A 1 122 ? -16.776 -20.258 -32.783 1   36.85  ? 134 LEU   A HB2  1 c 1 
ATOM   1799 H HB3  . LEU   A 1 122 ? -17.47  -21.195 -33.863 1   39.196 ? 134 LEU   A HB3  1 c 1 
ATOM   1800 H HG   . LEU   A 1 122 ? -19.506 -21.073 -32.77  1   40.011 ? 134 LEU   A HG   1 c 1 
ATOM   1801 H HD11 . LEU   A 1 122 ? -18.917 -21.046 -30.549 1   37.749 ? 134 LEU   A HD11 1 c 1 
ATOM   1802 H HD12 . LEU   A 1 122 ? -19.753 -19.724 -30.806 1   37.116 ? 134 LEU   A HD12 1 c 1 
ATOM   1803 H HD13 . LEU   A 1 122 ? -18.172 -19.654 -30.702 1   35.762 ? 134 LEU   A HD13 1 c 1 
ATOM   1804 H HD21 . LEU   A 1 122 ? -18.944 -19.273 -34.226 1   39.337 ? 134 LEU   A HD21 1 c 1 
ATOM   1805 H HD22 . LEU   A 1 122 ? -18.502 -18.424 -32.961 1   37.197 ? 134 LEU   A HD22 1 c 1 
ATOM   1806 H HD23 . LEU   A 1 122 ? -20.018 -18.855 -33.135 1   38.9   ? 134 LEU   A HD23 1 c 1 
ATOM   1807 N N    . LEU   A 1 123 ? -18.34  -23.975 -31.156 1   43.59  ? 135 LEU   A N    1 ? 1 
ATOM   1808 C CA   . LEU   A 1 123 ? -19.136 -25.191 -31.109 1   46.513 ? 135 LEU   A CA   1 ? 1 
ATOM   1809 C C    . LEU   A 1 123 ? -20.62  -24.852 -31.215 1   48.464 ? 135 LEU   A C    1 ? 1 
ATOM   1810 O O    . LEU   A 1 123 ? -21.37  -25.496 -31.938 1   48.143 ? 135 LEU   A O    1 ? 1 
ATOM   1811 C CB   . LEU   A 1 123 ? -18.862 -25.938 -29.808 1   46.525 ? 135 LEU   A CB   1 ? 1 
ATOM   1812 C CG   . LEU   A 1 123 ? -17.418 -26.405 -29.57  1   47.813 ? 135 LEU   A CG   1 ? 1 
ATOM   1813 C CD1  . LEU   A 1 123 ? -17.269 -26.936 -28.153 1   49.708 ? 135 LEU   A CD1  1 ? 1 
ATOM   1814 C CD2  . LEU   A 1 123 ? -17.023 -27.489 -30.578 1   51.975 ? 135 LEU   A CD2  1 ? 1 
ATOM   1815 H H    . LEU   A 1 123 ? -18.085 -23.604 -30.36  1   42.533 ? 135 LEU   A H    1 c 1 
ATOM   1816 H HA   . LEU   A 1 123 ? -18.882 -25.764 -31.877 1   47.729 ? 135 LEU   A HA   1 c 1 
ATOM   1817 H HB2  . LEU   A 1 123 ? -19.126 -25.356 -29.059 1   45.847 ? 135 LEU   A HB2  1 c 1 
ATOM   1818 H HB3  . LEU   A 1 123 ? -19.449 -26.728 -29.781 1   48.805 ? 135 LEU   A HB3  1 c 1 
ATOM   1819 H HG   . LEU   A 1 123 ? -16.811 -25.628 -29.684 1   46.181 ? 135 LEU   A HG   1 c 1 
ATOM   1820 H HD11 . LEU   A 1 123 ? -17.589 -26.27  -27.522 1   48.206 ? 135 LEU   A HD11 1 c 1 
ATOM   1821 H HD12 . LEU   A 1 123 ? -16.334 -27.126 -27.975 1   49.087 ? 135 LEU   A HD12 1 c 1 
ATOM   1822 H HD13 . LEU   A 1 123 ? -17.789 -27.751 -28.054 1   51.328 ? 135 LEU   A HD13 1 c 1 
ATOM   1823 H HD21 . LEU   A 1 123 ? -16.985 -27.104 -31.47  1   51.181 ? 135 LEU   A HD21 1 c 1 
ATOM   1824 H HD22 . LEU   A 1 123 ? -17.681 -28.202 -30.563 1   53.395 ? 135 LEU   A HD22 1 c 1 
ATOM   1825 H HD23 . LEU   A 1 123 ? -16.15  -27.848 -30.344 1   51.549 ? 135 LEU   A HD23 1 c 1 
ATOM   1826 N N    . ASP   A 1 124 ? -21.033 -23.845 -30.447 1   47.697 ? 136 ASP   A N    1 ? 1 
ATOM   1827 C CA   . ASP   A 1 124 ? -22.426 -23.449 -30.426 1   47.865 ? 136 ASP   A CA   1 ? 1 
ATOM   1828 C C    . ASP   A 1 124 ? -22.545 -22.084 -29.767 1   44.275 ? 136 ASP   A C    1 ? 1 
ATOM   1829 O O    . ASP   A 1 124 ? -21.614 -21.608 -29.106 1   42.406 ? 136 ASP   A O    1 ? 1 
ATOM   1830 C CB   . ASP   A 1 124 ? -23.257 -24.478 -29.677 1   51.829 ? 136 ASP   A CB   1 ? 1 
ATOM   1831 C CG   . ASP   A 1 124 ? -24.743 -24.482 -29.994 1   54.071 ? 136 ASP   A CG   1 ? 1 
ATOM   1832 O OD1  . ASP   A 1 124 ? -25.172 -23.72  -30.918 1   52.114 ? 136 ASP   A OD1  1 ? 1 
ATOM   1833 O OD2  . ASP   A 1 124 ? -25.45  -25.258 -29.323 1   57.771 ? 136 ASP   A OD2  1 ? 1 
ATOM   1834 H H    . ASP   A 1 124 ? -20.436 -23.4   -29.916 1   46.105 ? 136 ASP   A H    1 c 1 
ATOM   1835 H HA   . ASP   A 1 124 ? -22.746 -23.384 -31.354 1   48.473 ? 136 ASP   A HA   1 c 1 
ATOM   1836 H HB2  . ASP   A 1 124 ? -22.912 -25.375 -29.865 1   52.6   ? 136 ASP   A HB2  1 c 1 
ATOM   1837 H HB3  . ASP   A 1 124 ? -23.157 -24.319 -28.715 1   50.77  ? 136 ASP   A HB3  1 c 1 
ATOM   1838 N N    . PHE   A 1 125 ? -23.699 -21.452 -29.982 1   44.225 ? 137 PHE   A N    1 ? 1 
ATOM   1839 C CA   . PHE   A 1 125 ? -24.066 -20.294 -29.174 1   42.633 ? 137 PHE   A CA   1 ? 1 
ATOM   1840 C C    . PHE   A 1 125 ? -25.583 -20.263 -29.106 1   44.687 ? 137 PHE   A C    1 ? 1 
ATOM   1841 O O    . PHE   A 1 125 ? -26.26  -20.615 -30.09  1   45.447 ? 137 PHE   A O    1 ? 1 
ATOM   1842 C CB   . PHE   A 1 125 ? -23.476 -18.972 -29.683 1   40.838 ? 137 PHE   A CB   1 ? 1 
ATOM   1843 C CG   . PHE   A 1 125 ? -23.845 -18.686 -31.127 1   42.327 ? 137 PHE   A CG   1 ? 1 
ATOM   1844 C CD1  . PHE   A 1 125 ? -23.098 -19.23  -32.17  1   43.939 ? 137 PHE   A CD1  1 ? 1 
ATOM   1845 C CD2  . PHE   A 1 125 ? -24.944 -17.891 -31.43  1   43.643 ? 137 PHE   A CD2  1 ? 1 
ATOM   1846 C CE1  . PHE   A 1 125 ? -23.454 -18.978 -33.481 1   45.662 ? 137 PHE   A CE1  1 ? 1 
ATOM   1847 C CE2  . PHE   A 1 125 ? -25.276 -17.622 -32.739 1   44.087 ? 137 PHE   A CE2  1 ? 1 
ATOM   1848 C CZ   . PHE   A 1 125 ? -24.521 -18.16  -33.756 1   46.75  ? 137 PHE   A CZ   1 ? 1 
ATOM   1849 H H    . PHE   A 1 125 ? -24.263 -21.736 -30.644 1   45.562 ? 137 PHE   A H    1 c 1 
ATOM   1850 H HA   . PHE   A 1 125 ? -23.722 -20.447 -28.257 1   42.045 ? 137 PHE   A HA   1 c 1 
ATOM   1851 H HB2  . PHE   A 1 125 ? -23.804 -18.24  -29.116 1   40.531 ? 137 PHE   A HB2  1 c 1 
ATOM   1852 H HB3  . PHE   A 1 125 ? -22.497 -19.012 -29.602 1   39.714 ? 137 PHE   A HB3  1 c 1 
ATOM   1853 H HD1  . PHE   A 1 125 ? -22.357 -19.783 -31.979 1   43.169 ? 137 PHE   A HD1  1 c 1 
ATOM   1854 H HD2  . PHE   A 1 125 ? -25.45  -17.511 -30.731 1   43.659 ? 137 PHE   A HD2  1 c 1 
ATOM   1855 H HE1  . PHE   A 1 125 ? -22.939 -19.336 -34.186 1   45.778 ? 137 PHE   A HE1  1 c 1 
ATOM   1856 H HE2  . PHE   A 1 125 ? -26.019 -17.074 -32.937 1   45.203 ? 137 PHE   A HE2  1 c 1 
ATOM   1857 H HZ   . PHE   A 1 125 ? -24.759 -17.99  -34.653 1   46.888 ? 137 PHE   A HZ   1 c 1 
ATOM   1858 N N    . LYS   A 1 126 ? -26.074 -19.83  -27.938 1   43.019 ? 138 LYS   A N    1 ? 1 
ATOM   1859 C CA   . LYS   A 1 126 ? -27.483 -19.797 -27.605 1   46.359 ? 138 LYS   A CA   1 ? 1 
ATOM   1860 C C    . LYS   A 1 126 ? -27.811 -18.416 -27.034 1   46.091 ? 138 LYS   A C    1 ? 1 
ATOM   1861 O O    . LYS   A 1 126 ? -26.946 -17.755 -26.451 1   44.207 ? 138 LYS   A O    1 ? 1 
ATOM   1862 C CB   . LYS   A 1 126 ? -27.767 -20.861 -26.542 1   48.307 ? 138 LYS   A CB   1 ? 1 
ATOM   1863 H H    . LYS   A 1 126 ? -25.482 -19.53  -27.309 1   42.186 ? 138 LYS   A H    1 c 1 
ATOM   1864 H HA   . LYS   A 1 126 ? -28.019 -19.96  -28.422 1   47.292 ? 138 LYS   A HA   1 c 1 
ATOM   1865 H HB2  . LYS   A 1 126 ? -26.98  -21.24  -26.231 0   20     ? 138 LYS   A HB2  1 c 1 
ATOM   1866 H HB3  . LYS   A 1 126 ? -28.795 -20.951 -26.509 0   20     ? 138 LYS   A HB3  1 c 1 
ATOM   1867 N N    . GLY   A 1 127 ? -29.082 -18.013 -27.181 1   49.815 ? 139 GLY   A N    1 ? 1 
ATOM   1868 C CA   . GLY   A 1 127 ? -29.619 -16.806 -26.573 1   50.652 ? 139 GLY   A CA   1 ? 1 
ATOM   1869 C C    . GLY   A 1 127 ? -29.568 -16.856 -25.047 1   52.616 ? 139 GLY   A C    1 ? 1 
ATOM   1870 O O    . GLY   A 1 127 ? -29.74  -17.916 -24.456 1   55.32  ? 139 GLY   A O    1 ? 1 
ATOM   1871 H H    . GLY   A 1 127 ? -29.644 -18.524 -27.689 1   50.917 ? 139 GLY   A H    1 c 1 
ATOM   1872 H HA2  . GLY   A 1 127 ? -29.104 -16.029 -26.895 1   49.285 ? 139 GLY   A HA2  1 c 1 
ATOM   1873 H HA3  . GLY   A 1 127 ? -30.553 -16.692 -26.865 1   52.494 ? 139 GLY   A HA3  1 c 1 
ATOM   1874 N N    . GLU   A 1 128 ? -29.354 -15.7   -24.413 1   53.495 ? 140 GLU   A N    1 ? 1 
ATOM   1875 C CA   . GLU   A 1 128 ? -29.384 -15.628 -22.957 1   57.205 ? 140 GLU   A CA   1 ? 1 
ATOM   1876 C C    . GLU   A 1 128 ? -30.811 -15.959 -22.463 1   61.623 ? 140 GLU   A C    1 ? 1 
ATOM   1877 O O    . GLU   A 1 128 ? -30.895 -16.539 -21.364 1   64.508 ? 140 GLU   A O    1 ? 1 
ATOM   1878 C CB   . GLU   A 1 128 ? -28.848 -14.301 -22.422 1   56.352 ? 140 GLU   A CB   1 ? 1 
ATOM   1879 O OXT  . GLU   A 1 128 ? -31.782 -15.7   -23.214 1   64.21  ? 140 GLU   A OXT  1 ? 1 
ATOM   1880 H H    . GLU   A 1 128 ? -29.188 -14.94  -24.894 1   52.697 ? 140 GLU   A H    1 c 1 
ATOM   1881 H HA   . GLU   A 1 128 ? -28.78  -16.334 -22.613 1   56.263 ? 140 GLU   A HA   1 c 1 
ATOM   1882 H HB2  . GLU   A 1 128 ? -27.84  -14.333 -22.461 0   20     ? 140 GLU   A HB2  1 c 1 
ATOM   1883 H HB3  . GLU   A 1 128 ? -29.571 -13.708 -22.218 0   20     ? 140 GLU   A HB3  1 c 1 
ATOM   1884 N N    . GLY   B 1 1   ? -2.826  4.352   3.343   1   42.406 ? 13  GLY   B N    1 ? 2 
ATOM   1885 C CA   . GLY   B 1 1   ? -3.969  5.227   3.035   1   40.209 ? 13  GLY   B CA   1 ? 2 
ATOM   1886 C C    . GLY   B 1 1   ? -5.293  4.473   3.146   1   37.92  ? 13  GLY   B C    1 ? 2 
ATOM   1887 O O    . GLY   B 1 1   ? -5.409  3.447   3.823   1   37.061 ? 13  GLY   B O    1 ? 2 
ATOM   1888 H H1   . GLY   B 1 1   ? -2.054  4.818   3.278   1   43.547 ? 13  GLY   B H1   1 c 2 
ATOM   1889 H H2   . GLY   B 1 1   ? -2.801  3.659   2.762   1   41.056 ? 13  GLY   B H2   1 c 2 
ATOM   1890 H H3   . GLY   B 1 1   ? -2.903  4.028   4.185   1   42.069 ? 13  GLY   B H3   1 c 2 
ATOM   1891 H HA2  . GLY   B 1 1   ? -3.97   5.989   3.66    1   41.63  ? 13  GLY   B HA2  1 c 2 
ATOM   1892 H HA3  . GLY   B 1 1   ? -3.865  5.581   2.121   1   40.58  ? 13  GLY   B HA3  1 c 2 
ATOM   1893 N N    . ALA   B 1 2   ? -6.303  5.033   2.471   1   35.648 ? 14  ALA   B N    1 ? 2 
ATOM   1894 C CA   . ALA   B 1 2   ? -7.667  4.591   2.632   1   33.755 ? 14  ALA   B CA   1 ? 2 
ATOM   1895 C C    . ALA   B 1 2   ? -7.8    3.113   2.255   1   31.405 ? 14  ALA   B C    1 ? 2 
ATOM   1896 O O    . ALA   B 1 2   ? -8.426  2.321   2.977   1   32.786 ? 14  ALA   B O    1 ? 2 
ATOM   1897 C CB   . ALA   B 1 2   ? -8.626  5.498   1.893   1   32.611 ? 14  ALA   B CB   1 ? 2 
ATOM   1898 H H    . ALA   B 1 2   ? -6.128  5.717   1.891   1   36.307 ? 14  ALA   B H    1 c 2 
ATOM   1899 H HA   . ALA   B 1 2   ? -7.879  4.659   3.604   1   33.918 ? 14  ALA   B HA   1 c 2 
ATOM   1900 H HB1  . ALA   B 1 2   ? -8.557  6.402   2.244   1   34.066 ? 14  ALA   B HB1  1 c 2 
ATOM   1901 H HB2  . ALA   B 1 2   ? -8.409  5.505   0.946   1   32.423 ? 14  ALA   B HB2  1 c 2 
ATOM   1902 H HB3  . ALA   B 1 2   ? -9.536  5.177   2.011   1   31.861 ? 14  ALA   B HB3  1 c 2 
ATOM   1903 N N    . PRO   B 1 3   ? -7.2    2.628   1.157   1   32.414 ? 15  PRO   B N    1 ? 2 
ATOM   1904 C CA   . PRO   B 1 3   ? -7.336  1.212   0.844   1   31.084 ? 15  PRO   B CA   1 ? 2 
ATOM   1905 C C    . PRO   B 1 3   ? -6.793  0.302   1.961   1   30.851 ? 15  PRO   B C    1 ? 2 
ATOM   1906 O O    . PRO   B 1 3   ? -7.482  -0.63   2.348   1   30.847 ? 15  PRO   B O    1 ? 2 
ATOM   1907 C CB   . PRO   B 1 3   ? -6.568  1.041   -0.47   1   31.944 ? 15  PRO   B CB   1 ? 2 
ATOM   1908 C CG   . PRO   B 1 3   ? -6.615  2.425   -1.079  1   34.043 ? 15  PRO   B CG   1 ? 2 
ATOM   1909 C CD   . PRO   B 1 3   ? -6.478  3.382   0.117   1   35.158 ? 15  PRO   B CD   1 ? 2 
ATOM   1910 H HA   . PRO   B 1 3   ? -8.282  1.006   0.691   1   30.077 ? 15  PRO   B HA   1 c 2 
ATOM   1911 H HB2  . PRO   B 1 3   ? -5.647  0.76    -0.305  1   32.915 ? 15  PRO   B HB2  1 c 2 
ATOM   1912 H HB3  . PRO   B 1 3   ? -7.006  0.387   -1.049  1   30.915 ? 15  PRO   B HB3  1 c 2 
ATOM   1913 H HG2  . PRO   B 1 3   ? -5.88   2.555   -1.71   1   34.546 ? 15  PRO   B HG2  1 c 2 
ATOM   1914 H HG3  . PRO   B 1 3   ? -7.462  2.574   -1.544  1   32.892 ? 15  PRO   B HG3  1 c 2 
ATOM   1915 H HD2  . PRO   B 1 3   ? -5.545  3.521   0.365   1   36.153 ? 15  PRO   B HD2  1 c 2 
ATOM   1916 H HD3  . PRO   B 1 3   ? -6.905  4.241   -0.058  1   35.17  ? 15  PRO   B HD3  1 c 2 
ATOM   1917 N N    . ALA   B 1 4   ? -5.593  0.601   2.479   1   33.143 ? 16  ALA   B N    1 ? 2 
ATOM   1918 C CA   . ALA   B 1 4   ? -4.963  -0.223  3.51    1   31.948 ? 16  ALA   B CA   1 ? 2 
ATOM   1919 C C    . ALA   B 1 4   ? -5.819  -0.238  4.782   1   32.703 ? 16  ALA   B C    1 ? 2 
ATOM   1920 O O    . ALA   B 1 4   ? -5.89   -1.252  5.474   1   32.392 ? 16  ALA   B O    1 ? 2 
ATOM   1921 C CB   . ALA   B 1 4   ? -3.565  0.292   3.823   1   35.017 ? 16  ALA   B CB   1 ? 2 
ATOM   1922 H H    . ALA   B 1 4   ? -5.149  1.34    2.177   1   33.242 ? 16  ALA   B H    1 c 2 
ATOM   1923 H HA   . ALA   B 1 4   ? -4.899  -1.157  3.166   1   31.67  ? 16  ALA   B HA   1 c 2 
ATOM   1924 H HB1  . ALA   B 1 4   ? -3.019  0.265   3.019   1   34.767 ? 16  ALA   B HB1  1 c 2 
ATOM   1925 H HB2  . ALA   B 1 4   ? -3.617  1.207   4.144   1   35.618 ? 16  ALA   B HB2  1 c 2 
ATOM   1926 H HB3  . ALA   B 1 4   ? -3.157  -0.266  4.506   1   35.34  ? 16  ALA   B HB3  1 c 2 
ATOM   1927 N N    . THR   B 1 5   ? -6.491  0.876   5.079   1   32.644 ? 17  THR   B N    1 ? 2 
ATOM   1928 C CA   . THR   B 1 5   ? -7.344  0.954   6.26    1   30.217 ? 17  THR   B CA   1 ? 2 
ATOM   1929 C C    . THR   B 1 5   ? -8.528  -0.007  6.092   1   31.333 ? 17  THR   B C    1 ? 2 
ATOM   1930 O O    . THR   B 1 5   ? -8.937  -0.691  7.031   1   31.694 ? 17  THR   B O    1 ? 2 
ATOM   1931 C CB   . THR   B 1 5   ? -7.807  2.39    6.519   1   32.893 ? 17  THR   B CB   1 ? 2 
ATOM   1932 O OG1  . THR   B 1 5   ? -6.668  3.19    6.827   1   36.375 ? 17  THR   B OG1  1 ? 2 
ATOM   1933 C CG2  . THR   B 1 5   ? -8.76   2.475   7.718   1   34.912 ? 17  THR   B CG2  1 ? 2 
ATOM   1934 H H    . THR   B 1 5   ? -6.413  1.61    4.541   1   32.461 ? 17  THR   B H    1 c 2 
ATOM   1935 H HA   . THR   B 1 5   ? -6.816  0.661   7.034   1   31.897 ? 17  THR   B HA   1 c 2 
ATOM   1936 H HB   . THR   B 1 5   ? -8.254  2.749   5.715   1   32.299 ? 17  THR   B HB   1 c 2 
ATOM   1937 H HG1  . THR   B 1 5   ? -6.281  2.854   7.54    0   20     ? 17  THR   B HG1  1 c 2 
ATOM   1938 H HG21 . THR   B 1 5   ? -8.937  3.408   7.926   1   35.271 ? 17  THR   B HG21 1 c 2 
ATOM   1939 H HG22 . THR   B 1 5   ? -8.353  2.044   8.488   1   35.264 ? 17  THR   B HG22 1 c 2 
ATOM   1940 H HG23 . THR   B 1 5   ? -9.597  2.03    7.503   1   33.359 ? 17  THR   B HG23 1 c 2 
ATOM   1941 N N    . VAL   B 1 6   ? -9.078  -0.105  4.863   1   29.108 ? 18  VAL   B N    1 ? 2 
ATOM   1942 C CA   . VAL   B 1 6   ? -10.193 -1.019  4.648   1   26.747 ? 18  VAL   B CA   1 ? 2 
ATOM   1943 C C    . VAL   B 1 6   ? -9.708  -2.458  4.805   1   27.343 ? 18  VAL   B C    1 ? 2 
ATOM   1944 O O    . VAL   B 1 6   ? -10.4   -3.293  5.394   1   27.793 ? 18  VAL   B O    1 ? 2 
ATOM   1945 C CB   . VAL   B 1 6   ? -10.891 -0.822  3.285   1   27.235 ? 18  VAL   B CB   1 ? 2 
ATOM   1946 C CG1  . VAL   B 1 6   ? -11.986 -1.833  3.142   1   27.105 ? 18  VAL   B CG1  1 ? 2 
ATOM   1947 C CG2  . VAL   B 1 6   ? -11.402 0.599   3.103   1   28.631 ? 18  VAL   B CG2  1 ? 2 
ATOM   1948 H H    . VAL   B 1 6   ? -8.76   0.393   4.166   1   29.046 ? 18  VAL   B H    1 c 2 
ATOM   1949 H HA   . VAL   B 1 6   ? -10.854 -0.85   5.345   1   27.46  ? 18  VAL   B HA   1 c 2 
ATOM   1950 H HB   . VAL   B 1 6   ? -10.219 -0.997  2.585   1   27.096 ? 18  VAL   B HB   1 c 2 
ATOM   1951 H HG11 . VAL   B 1 6   ? -12.538 -1.83   3.943   1   27.061 ? 18  VAL   B HG11 1 c 2 
ATOM   1952 H HG12 . VAL   B 1 6   ? -11.602 -2.716  3.017   1   26.711 ? 18  VAL   B HG12 1 c 2 
ATOM   1953 H HG13 . VAL   B 1 6   ? -12.535 -1.608  2.372   1   26.35  ? 18  VAL   B HG13 1 c 2 
ATOM   1954 H HG21 . VAL   B 1 6   ? -11.852 0.675   2.245   1   27.882 ? 18  VAL   B HG21 1 c 2 
ATOM   1955 H HG22 . VAL   B 1 6   ? -10.657 1.221   3.132   1   29.259 ? 18  VAL   B HG22 1 c 2 
ATOM   1956 H HG23 . VAL   B 1 6   ? -12.027 0.813   3.816   1   28.619 ? 18  VAL   B HG23 1 c 2 
ATOM   1957 N N    . THR   B 1 7   ? -8.513  -2.749  4.274   1   28.287 ? 19  THR   B N    1 ? 2 
ATOM   1958 C CA   . THR   B 1 7   ? -7.912  -4.057  4.455   1   28.59  ? 19  THR   B CA   1 ? 2 
ATOM   1959 C C    . THR   B 1 7   ? -7.867  -4.4    5.945   1   29.071 ? 19  THR   B C    1 ? 2 
ATOM   1960 O O    . THR   B 1 7   ? -8.218  -5.507  6.362   1   29.729 ? 19  THR   B O    1 ? 2 
ATOM   1961 C CB   . THR   B 1 7   ? -6.508  -4.092  3.875   1   30.578 ? 19  THR   B CB   1 ? 2 
ATOM   1962 O OG1  . THR   B 1 7   ? -6.682  -3.984  2.462   1   31.335 ? 19  THR   B OG1  1 ? 2 
ATOM   1963 C CG2  . THR   B 1 7   ? -5.743  -5.347  4.243   1   32.31  ? 19  THR   B CG2  1 ? 2 
ATOM   1964 H H    . THR   B 1 7   ? -8.068  -2.12   3.781   1   28.173 ? 19  THR   B H    1 c 2 
ATOM   1965 H HA   . THR   B 1 7   ? -8.464  -4.722  3.99    1   27.819 ? 19  THR   B HA   1 c 2 
ATOM   1966 H HB   . THR   B 1 7   ? -6      -3.31   4.198   1   31.376 ? 19  THR   B HB   1 c 2 
ATOM   1967 H HG1  . THR   B 1 7   ? -7.162  -4.643  2.181   0   20     ? 19  THR   B HG1  1 c 2 
ATOM   1968 H HG21 . THR   B 1 7   ? -4.924  -5.392  3.72    1   32.615 ? 19  THR   B HG21 1 c 2 
ATOM   1969 H HG22 . THR   B 1 7   ? -6.289  -6.128  4.054   1   31.354 ? 19  THR   B HG22 1 c 2 
ATOM   1970 H HG23 . THR   B 1 7   ? -5.519  -5.33   5.189   1   32.849 ? 19  THR   B HG23 1 c 2 
ATOM   1971 N N    . GLU   B 1 8   ? -7.435  -3.439  6.747   1   29.099 ? 20  GLU   B N    1 ? 2 
ATOM   1972 C CA   . GLU   B 1 8   ? -7.152  -3.708  8.163   1   31.894 ? 20  GLU   B CA   1 ? 2 
ATOM   1973 C C    . GLU   B 1 8   ? -8.451  -3.771  8.974   1   32.015 ? 20  GLU   B C    1 ? 2 
ATOM   1974 O O    . GLU   B 1 8   ? -8.526  -4.564  9.909   1   33.825 ? 20  GLU   B O    1 ? 2 
ATOM   1975 C CB   . GLU   B 1 8   ? -6.167  -2.666  8.68    1   36.801 ? 20  GLU   B CB   1 ? 2 
ATOM   1976 C CG   . GLU   B 1 8   ? -4.822  -2.651  7.953   1   42.812 ? 20  GLU   B CG   1 ? 2 
ATOM   1977 C CD   . GLU   B 1 8   ? -3.916  -1.426  8.189   1   52.086 ? 20  GLU   B CD   1 ? 2 
ATOM   1978 O OE1  . GLU   B 1 8   ? -4.19   -0.559  9.056   1   57.895 ? 20  GLU   B OE1  1 ? 2 
ATOM   1979 O OE2  . GLU   B 1 8   ? -2.933  -1.304  7.408   1   59.009 ? 20  GLU   B OE2  1 ? 2 
ATOM   1980 H H    . GLU   B 1 8   ? -7.303  -2.596  6.421   1   29.828 ? 20  GLU   B H    1 c 2 
ATOM   1981 H HA   . GLU   B 1 8   ? -6.71   -4.593  8.223   1   32.217 ? 20  GLU   B HA   1 c 2 
ATOM   1982 H HB2  . GLU   B 1 8   ? -6.577  -1.779  8.597   1   36.696 ? 20  GLU   B HB2  1 c 2 
ATOM   1983 H HB3  . GLU   B 1 8   ? -6.007  -2.831  9.633   1   37.798 ? 20  GLU   B HB3  1 c 2 
ATOM   1984 H HG2  . GLU   B 1 8   ? -4.32   -3.451  8.218   1   42.959 ? 20  GLU   B HG2  1 c 2 
ATOM   1985 H HG3  . GLU   B 1 8   ? -4.983  -2.729  6.991   1   41.55  ? 20  GLU   B HG3  1 c 2 
ATOM   1986 N N    . GLN   B 1 9   ? -9.426  -2.894  8.68    1   30.738 ? 21  GLN   B N    1 ? 2 
ATOM   1987 C CA   . GLN   B 1 9   ? -10.531 -2.62   9.601   1   31.094 ? 21  GLN   B CA   1 ? 2 
ATOM   1988 C C    . GLN   B 1 9   ? -11.896 -2.929  9.001   1   29.236 ? 21  GLN   B C    1 ? 2 
ATOM   1989 O O    . GLN   B 1 9   ? -12.911 -2.867  9.689   1   30.747 ? 21  GLN   B O    1 ? 2 
ATOM   1990 C CB   . GLN   B 1 9   ? -10.552 -1.169  10.065  1   33.418 ? 21  GLN   B CB   1 ? 2 
ATOM   1991 C CG   . GLN   B 1 9   ? -9.186  -0.778  10.606  1   35.087 ? 21  GLN   B CG   1 ? 2 
ATOM   1992 C CD   . GLN   B 1 9   ? -9.022  0.64    11.072  1   38.004 ? 21  GLN   B CD   1 ? 2 
ATOM   1993 O OE1  . GLN   B 1 9   ? -7.911  1.087   11.404  1   45.764 ? 21  GLN   B OE1  1 ? 2 
ATOM   1994 N NE2  . GLN   B 1 9   ? -10.119 1.354   11.121  1   36.14  ? 21  GLN   B NE2  1 ? 2 
ATOM   1995 H H    . GLN   B 1 9   ? -9.39   -2.435  7.89    1   30.245 ? 21  GLN   B H    1 c 2 
ATOM   1996 H HA   . GLN   B 1 9   ? -10.414 -3.19   10.403  1   31.922 ? 21  GLN   B HA   1 c 2 
ATOM   1997 H HB2  . GLN   B 1 9   ? -10.788 -0.586  9.314   1   32.617 ? 21  GLN   B HB2  1 c 2 
ATOM   1998 H HB3  . GLN   B 1 9   ? -11.228 -1.06   10.766  1   33.447 ? 21  GLN   B HB3  1 c 2 
ATOM   1999 H HG2  . GLN   B 1 9   ? -8.967  -1.368  11.359  1   35.883 ? 21  GLN   B HG2  1 c 2 
ATOM   2000 H HG3  . GLN   B 1 9   ? -8.515  -0.938  9.91    1   35.061 ? 21  GLN   B HG3  1 c 2 
ATOM   2001 H HE21 . GLN   B 1 9   ? -10.155 2.136   10.694  1   36.458 ? 21  GLN   B HE21 1 c 2 
ATOM   2002 H HE22 . GLN   B 1 9   ? -10.823 1.063   11.585  1   36.345 ? 21  GLN   B HE22 1 c 2 
ATOM   2003 N N    . GLY   B 1 10  ? -11.936 -3.185  7.692   1   27.266 ? 22  GLY   B N    1 ? 2 
ATOM   2004 C CA   . GLY   B 1 10  ? -13.249 -3.226  7.066   1   24.701 ? 22  GLY   B CA   1 ? 2 
ATOM   2005 C C    . GLY   B 1 10  ? -13.989 -4.519  7.388   1   25.565 ? 22  GLY   B C    1 ? 2 
ATOM   2006 O O    . GLY   B 1 10  ? -13.374 -5.571  7.603   1   26.006 ? 22  GLY   B O    1 ? 2 
ATOM   2007 H H    . GLY   B 1 10  ? -11.183 -3.344  7.2     1   26.882 ? 22  GLY   B H    1 c 2 
ATOM   2008 H HA2  . GLY   B 1 10  ? -13.779 -2.454  7.375   1   25.566 ? 22  GLY   B HA2  1 c 2 
ATOM   2009 H HA3  . GLY   B 1 10  ? -13.14  -3.146  6.089   1   23.881 ? 22  GLY   B HA3  1 c 2 
ATOM   2010 N N    . GLU   B 1 11  ? -15.322 -4.425  7.331   1   26.582 ? 23  GLU   B N    1 ? 2 
ATOM   2011 C CA   . GLU   B 1 11  ? -16.198 -5.574  7.453   1   26.896 ? 23  GLU   B CA   1 ? 2 
ATOM   2012 C C    . GLU   B 1 11  ? -16.264 -6.367  6.145   1   24.252 ? 23  GLU   B C    1 ? 2 
ATOM   2013 O O    . GLU   B 1 11  ? -16.493 -5.79   5.093   1   24.463 ? 23  GLU   B O    1 ? 2 
ATOM   2014 C CB   . GLU   B 1 11  ? -17.575 -5.028  7.838   1   27.45  ? 23  GLU   B CB   1 ? 2 
ATOM   2015 C CG   . GLU   B 1 11  ? -18.647 -6.093  8.009   1   30.511 ? 23  GLU   B CG   1 ? 2 
ATOM   2016 C CD   . GLU   B 1 11  ? -20.048 -5.573  8.292   1   33.526 ? 23  GLU   B CD   1 ? 2 
ATOM   2017 O OE1  . GLU   B 1 11  ? -20.296 -4.356  8.339   1   40.911 ? 23  GLU   B OE1  1 ? 2 
ATOM   2018 O OE2  . GLU   B 1 11  ? -20.915 -6.446  8.428   1   38.771 ? 23  GLU   B OE2  1 ? 2 
ATOM   2019 H H    . GLU   B 1 11  ? -15.7   -3.602  7.207   1   26.398 ? 23  GLU   B H    1 c 2 
ATOM   2020 H HA   . GLU   B 1 11  ? -15.857 -6.159  8.177   1   27.399 ? 23  GLU   B HA   1 c 2 
ATOM   2021 H HB2  . GLU   B 1 11  ? -17.491 -4.527  8.676   1   28.638 ? 23  GLU   B HB2  1 c 2 
ATOM   2022 H HB3  . GLU   B 1 11  ? -17.869 -4.4    7.145   1   27.337 ? 23  GLU   B HB3  1 c 2 
ATOM   2023 H HG2  . GLU   B 1 11  ? -18.684 -6.641  7.196   1   29.528 ? 23  GLU   B HG2  1 c 2 
ATOM   2024 H HG3  . GLU   B 1 11  ? -18.386 -6.686  8.746   1   30.957 ? 23  GLU   B HG3  1 c 2 
ATOM   2025 N N    . ASP   B 1 12  ? -16.216 -7.668  6.229   1   23.953 ? 24  ASP   B N    1 ? 2 
ATOM   2026 C CA   . ASP   B 1 12  ? -16.463 -8.548  5.079   1   23.204 ? 24  ASP   B CA   1 ? 2 
ATOM   2027 C C    . ASP   B 1 12  ? -17.963 -8.734  4.89    1   24.742 ? 24  ASP   B C    1 ? 2 
ATOM   2028 O O    . ASP   B 1 12  ? -18.653 -9.343  5.715   1   26.126 ? 24  ASP   B O    1 ? 2 
ATOM   2029 C CB   . ASP   B 1 12  ? -15.798 -9.885  5.313   1   24.669 ? 24  ASP   B CB   1 ? 2 
ATOM   2030 C CG   . ASP   B 1 12  ? -15.885 -10.852 4.135   1   24.52  ? 24  ASP   B CG   1 ? 2 
ATOM   2031 O OD1  . ASP   B 1 12  ? -16.614 -10.506 3.17    1   24.821 ? 24  ASP   B OD1  1 ? 2 
ATOM   2032 O OD2  . ASP   B 1 12  ? -15.285 -11.932 4.237   1   24.708 ? 24  ASP   B OD2  1 ? 2 
ATOM   2033 H H    . ASP   B 1 12  ? -16.02  -8.052  7.035   1   24.752 ? 24  ASP   B H    1 c 2 
ATOM   2034 H HA   . ASP   B 1 12  ? -16.081 -8.135  4.273   1   22.764 ? 24  ASP   B HA   1 c 2 
ATOM   2035 H HB2  . ASP   B 1 12  ? -14.851 -9.734  5.515   1   24.658 ? 24  ASP   B HB2  1 c 2 
ATOM   2036 H HB3  . ASP   B 1 12  ? -16.208 -10.313 6.093   1   25.328 ? 24  ASP   B HB3  1 c 2 
ATOM   2037 N N    . ILE   B 1 13  ? -18.504 -8.146  3.82    1   23.001 ? 25  ILE   B N    1 ? 2 
ATOM   2038 C CA   . ILE   B 1 13  ? -19.929 -8.175  3.531   1   23.773 ? 25  ILE   B CA   1 ? 2 
ATOM   2039 C C    . ILE   B 1 13  ? -20.267 -9.178  2.419   1   24.332 ? 25  ILE   B C    1 ? 2 
ATOM   2040 O O    . ILE   B 1 13  ? -21.394 -9.192  1.905   1   26.391 ? 25  ILE   B O    1 ? 2 
ATOM   2041 C CB   . ILE   B 1 13  ? -20.444 -6.761  3.217   1   25.902 ? 25  ILE   B CB   1 ? 2 
ATOM   2042 C CG1  . ILE   B 1 13  ? -19.739 -6.143  2.002   1   25.654 ? 25  ILE   B CG1  1 ? 2 
ATOM   2043 C CG2  . ILE   B 1 13  ? -20.296 -5.837  4.409   1   27.502 ? 25  ILE   B CG2  1 ? 2 
ATOM   2044 C CD1  . ILE   B 1 13  ? -20.485 -4.908  1.475   1   25.211 ? 25  ILE   B CD1  1 ? 2 
ATOM   2045 H H    . ILE   B 1 13  ? -17.952 -7.711  3.235   1   22.639 ? 25  ILE   B H    1 c 2 
ATOM   2046 H HA   . ILE   B 1 13  ? -20.386 -8.474  4.34    1   24.737 ? 25  ILE   B HA   1 c 2 
ATOM   2047 H HB   . ILE   B 1 13  ? -21.396 -6.83   3.006   1   25.963 ? 25  ILE   B HB   1 c 2 
ATOM   2048 H HG12 . ILE   B 1 13  ? -18.83  -5.883  2.254   1   25.237 ? 25  ILE   B HG12 1 c 2 
ATOM   2049 H HG13 . ILE   B 1 13  ? -19.68  -6.809  1.287   1   25.352 ? 25  ILE   B HG13 1 c 2 
ATOM   2050 H HG21 . ILE   B 1 13  ? -20.753 -4.998  4.232   1   27.287 ? 25  ILE   B HG21 1 c 2 
ATOM   2051 H HG22 . ILE   B 1 13  ? -19.354 -5.664  4.572   1   27.092 ? 25  ILE   B HG22 1 c 2 
ATOM   2052 H HG23 . ILE   B 1 13  ? -20.687 -6.256  5.195   1   28.065 ? 25  ILE   B HG23 1 c 2 
ATOM   2053 H HD11 . ILE   B 1 13  ? -21.422 -5.133  1.322   1   25.791 ? 25  ILE   B HD11 1 c 2 
ATOM   2054 H HD12 . ILE   B 1 13  ? -20.081 -4.619  0.635   1   24.76  ? 25  ILE   B HD12 1 c 2 
ATOM   2055 H HD13 . ILE   B 1 13  ? -20.428 -4.183  2.126   1   25.505 ? 25  ILE   B HD13 1 c 2 
ATOM   2056 N N    . THR   B 1 14  ? -19.35  -10.089 2.095   1   24.206 ? 26  THR   B N    1 ? 2 
ATOM   2057 C CA   . THR   B 1 14  ? -19.651 -11.178 1.175   1   25.163 ? 26  THR   B CA   1 ? 2 
ATOM   2058 C C    . THR   B 1 14  ? -20.374 -12.295 1.923   1   27.654 ? 26  THR   B C    1 ? 2 
ATOM   2059 O O    . THR   B 1 14  ? -20.193 -12.524 3.139   1   29.453 ? 26  THR   B O    1 ? 2 
ATOM   2060 C CB   . THR   B 1 14  ? -18.381 -11.727 0.523   1   25.358 ? 26  THR   B CB   1 ? 2 
ATOM   2061 O OG1  . THR   B 1 14  ? -17.596 -12.394 1.528   1   25.562 ? 26  THR   B OG1  1 ? 2 
ATOM   2062 C CG2  . THR   B 1 14  ? -17.621 -10.665 -0.239  1   25.388 ? 26  THR   B CG2  1 ? 2 
ATOM   2063 H H    . THR   B 1 14  ? -18.511 -10.035 2.452   1   24.127 ? 26  THR   B H    1 c 2 
ATOM   2064 H HA   . THR   B 1 14  ? -20.24  -10.835 0.468   1   25.116 ? 26  THR   B HA   1 c 2 
ATOM   2065 H HB   . THR   B 1 14  ? -18.658 -12.4   -0.143  1   25.504 ? 26  THR   B HB   1 c 2 
ATOM   2066 H HG1  . THR   B 1 14  ? -17.388 -11.815 2.141   0   20     ? 26  THR   B HG1  1 c 2 
ATOM   2067 H HG21 . THR   B 1 14  ? -16.815 -11.051 -0.62   1   25.214 ? 26  THR   B HG21 1 c 2 
ATOM   2068 H HG22 . THR   B 1 14  ? -17.38  -9.943  0.365   1   24.861 ? 26  THR   B HG22 1 c 2 
ATOM   2069 H HG23 . THR   B 1 14  ? -18.18  -10.315 -0.953  1   24.883 ? 26  THR   B HG23 1 c 2 
ATOM   2070 N N    . SER   B 1 15  ? -21.249 -12.979 1.211   1   27.601 ? 27  SER   B N    1 ? 2 
ATOM   2071 C CA   . SER   B 1 15  ? -21.953 -14.14  1.733   1   28.664 ? 27  SER   B CA   1 ? 2 
ATOM   2072 C C    . SER   B 1 15  ? -20.986 -15.29  1.983   1   28.461 ? 27  SER   B C    1 ? 2 
ATOM   2073 O O    . SER   B 1 15  ? -21.15  -16.031 2.933   1   31.544 ? 27  SER   B O    1 ? 2 
ATOM   2074 C CB   . SER   B 1 15  ? -23.048 -14.564 0.787   1   31.755 ? 27  SER   B CB   1 ? 2 
ATOM   2075 O OG   . SER   B 1 15  ? -23.967 -13.489 0.632   1   37.294 ? 27  SER   B OG   1 ? 2 
ATOM   2076 H H    . SER   B 1 15  ? -21.42  -12.716 0.353   1   27.206 ? 27  SER   B H    1 c 2 
ATOM   2077 H HA   . SER   B 1 15  ? -22.367 -13.889 2.597   1   29.349 ? 27  SER   B HA   1 c 2 
ATOM   2078 H HB2  . SER   B 1 15  ? -22.662 -14.796 -0.08   1   31.8   ? 27  SER   B HB2  1 c 2 
ATOM   2079 H HB3  . SER   B 1 15  ? -23.509 -15.345 1.146   1   33.151 ? 27  SER   B HB3  1 c 2 
ATOM   2080 H HG   . SER   B 1 15  ? -24.606 -13.742 0.125   0   20     ? 27  SER   B HG   1 c 2 
ATOM   2081 N N    . LYS   B 1 16  ? -19.983 -15.445 1.128   1   28.303 ? 28  LYS   B N    1 ? 2 
ATOM   2082 C CA   . LYS   B 1 16  ? -19.058 -16.566 1.236   1   30.693 ? 28  LYS   B CA   1 ? 2 
ATOM   2083 C C    . LYS   B 1 16  ? -17.975 -16.295 2.277   1   29.728 ? 28  LYS   B C    1 ? 2 
ATOM   2084 O O    . LYS   B 1 16  ? -17.22  -17.207 2.589   1   29.679 ? 28  LYS   B O    1 ? 2 
ATOM   2085 C CB   . LYS   B 1 16  ? -18.318 -16.833 -0.083  1   32.442 ? 28  LYS   B CB   1 ? 2 
ATOM   2086 C CG   . LYS   B 1 16  ? -19.206 -17.356 -1.208  1   34.96  ? 28  LYS   B CG   1 ? 2 
ATOM   2087 C CD   . LYS   B 1 16  ? -18.393 -17.922 -2.349  1   41.004 ? 28  LYS   B CD   1 ? 2 
ATOM   2088 C CE   . LYS   B 1 16  ? -19.267 -18.607 -3.319  1   48.672 ? 28  LYS   B CE   1 ? 2 
ATOM   2089 N NZ   . LYS   B 1 16  ? -19.501 -17.666 -4.415  1   56.509 ? 28  LYS   B NZ   1 ? 2 
ATOM   2090 H H    . LYS   B 1 16  ? -19.867 -14.843 0.451   1   27.622 ? 28  LYS   B H    1 c 2 
ATOM   2091 H HA   . LYS   B 1 16  ? -19.565 -17.377 1.498   1   31.606 ? 28  LYS   B HA   1 c 2 
ATOM   2092 H HB2  . LYS   B 1 16  ? -17.896 -15.999 -0.382  1   31.354 ? 28  LYS   B HB2  1 c 2 
ATOM   2093 H HB3  . LYS   B 1 16  ? -17.605 -17.487 0.078   1   32.847 ? 28  LYS   B HB3  1 c 2 
ATOM   2094 H HG2  . LYS   B 1 16  ? -19.794 -18.056 -0.848  1   36.358 ? 28  LYS   B HG2  1 c 2 
ATOM   2095 H HG3  . LYS   B 1 16  ? -19.767 -16.623 -1.54   1   34.764 ? 28  LYS   B HG3  1 c 2 
ATOM   2096 H HD2  . LYS   B 1 16  ? -17.907 -17.195 -2.798  1   40     ? 28  LYS   B HD2  1 c 2 
ATOM   2097 H HD3  . LYS   B 1 16  ? -17.737 -18.562 -1.998  1   41.243 ? 28  LYS   B HD3  1 c 2 
ATOM   2098 H HE2  . LYS   B 1 16  ? -18.829 -19.405 -3.664  1   48.802 ? 28  LYS   B HE2  1 c 2 
ATOM   2099 H HE3  . LYS   B 1 16  ? -20.117 -18.86  -2.915  1   48.778 ? 28  LYS   B HE3  1 c 2 
ATOM   2100 H HZ1  . LYS   B 1 16  ? -18.728 -17.505 -4.859  1   53.111 ? 28  LYS   B HZ1  1 c 2 
ATOM   2101 H HZ2  . LYS   B 1 16  ? -19.828 -16.885 -4.09   1   53.079 ? 28  LYS   B HZ2  1 c 2 
ATOM   2102 H HZ3  . LYS   B 1 16  ? -20.103 -18.019 -4.992  1   54.857 ? 28  LYS   B HZ3  1 c 2 
ATOM   2103 N N    . LYS   B 1 17  ? -17.895 -15.043 2.774   1   27.765 ? 29  LYS   B N    1 ? 2 
ATOM   2104 C CA   . LYS   B 1 17  ? -16.867 -14.609 3.72    1   28.372 ? 29  LYS   B CA   1 ? 2 
ATOM   2105 C C    . LYS   B 1 17  ? -15.457 -14.913 3.216   1   28.551 ? 29  LYS   B C    1 ? 2 
ATOM   2106 O O    . LYS   B 1 17  ? -14.611 -15.492 3.914   1   29.724 ? 29  LYS   B O    1 ? 2 
ATOM   2107 C CB   . LYS   B 1 17  ? -17.14  -15.199 5.106   1   30.367 ? 29  LYS   B CB   1 ? 2 
ATOM   2108 C CG   . LYS   B 1 17  ? -18.431 -14.662 5.744   1   32.378 ? 29  LYS   B CG   1 ? 2 
ATOM   2109 C CD   . LYS   B 1 17  ? -18.342 -13.178 6.093   1   32.712 ? 29  LYS   B CD   1 ? 2 
ATOM   2110 C CE   . LYS   B 1 17  ? -19.559 -12.746 6.895   1   38.334 ? 29  LYS   B CE   1 ? 2 
ATOM   2111 N NZ   . LYS   B 1 17  ? -20.722 -12.574 6.008   1   41.514 ? 29  LYS   B NZ   1 ? 2 
ATOM   2112 H H    . LYS   B 1 17  ? -18.507 -14.424 2.5     1   27.592 ? 29  LYS   B H    1 c 2 
ATOM   2113 H HA   . LYS   B 1 17  ? -16.943 -13.628 3.803   1   27.724 ? 29  LYS   B HA   1 c 2 
ATOM   2114 H HB2  . LYS   B 1 17  ? -17.205 -16.175 5.035   1   31.34  ? 29  LYS   B HB2  1 c 2 
ATOM   2115 H HB3  . LYS   B 1 17  ? -16.387 -14.989 5.699   1   30.335 ? 29  LYS   B HB3  1 c 2 
ATOM   2116 H HG2  . LYS   B 1 17  ? -19.176 -14.803 5.119   1   32.358 ? 29  LYS   B HG2  1 c 2 
ATOM   2117 H HG3  . LYS   B 1 17  ? -18.617 -15.176 6.56    1   33.302 ? 29  LYS   B HG3  1 c 2 
ATOM   2118 H HD2  . LYS   B 1 17  ? -17.53  -13.014 6.621   1   33.24  ? 29  LYS   B HD2  1 c 2 
ATOM   2119 H HD3  . LYS   B 1 17  ? -18.292 -12.647 5.269   1   32.043 ? 29  LYS   B HD3  1 c 2 
ATOM   2120 H HE2  . LYS   B 1 17  ? -19.768 -13.416 7.571   1   39.091 ? 29  LYS   B HE2  1 c 2 
ATOM   2121 H HE3  . LYS   B 1 17  ? -19.374 -11.903 7.346   1   37.674 ? 29  LYS   B HE3  1 c 2 
ATOM   2122 H HZ1  . LYS   B 1 17  ? -20.95  -13.369 5.637   1   40.802 ? 29  LYS   B HZ1  1 c 2 
ATOM   2123 H HZ2  . LYS   B 1 17  ? -20.523 -11.984 5.35    1   39.537 ? 29  LYS   B HZ2  1 c 2 
ATOM   2124 H HZ3  . LYS   B 1 17  ? -21.425 -12.259 6.485   1   41.308 ? 29  LYS   B HZ3  1 c 2 
ATOM   2125 N N    . ASP   B 1 18  ? -15.201 -14.423 1.992   1   25.813 ? 30  ASP   B N    1 ? 2 
ATOM   2126 C CA   . ASP   B 1 18  ? -13.945 -14.583 1.285   1   26.638 ? 30  ASP   B CA   1 ? 2 
ATOM   2127 C C    . ASP   B 1 18  ? -13.187 -13.257 1.217   1   25.428 ? 30  ASP   B C    1 ? 2 
ATOM   2128 O O    . ASP   B 1 18  ? -12.24  -13.11  0.426   1   26.454 ? 30  ASP   B O    1 ? 2 
ATOM   2129 C CB   . ASP   B 1 18  ? -14.207 -15.18  -0.114  1   26.653 ? 30  ASP   B CB   1 ? 2 
ATOM   2130 C CG   . ASP   B 1 18  ? -15.061 -14.317 -1.041  1   25.832 ? 30  ASP   B CG   1 ? 2 
ATOM   2131 O OD1  . ASP   B 1 18  ? -15.264 -13.137 -0.703  1   24.457 ? 30  ASP   B OD1  1 ? 2 
ATOM   2132 O OD2  . ASP   B 1 18  ? -15.65  -14.891 -2.006  1   26.141 ? 30  ASP   B OD2  1 ? 2 
ATOM   2133 H H    . ASP   B 1 18  ? -15.863 -13.948 1.578   1   25.863 ? 30  ASP   B H    1 c 2 
ATOM   2134 H HA   . ASP   B 1 18  ? -13.392 -15.229 1.779   1   27.118 ? 30  ASP   B HA   1 c 2 
ATOM   2135 H HB2  . ASP   B 1 18  ? -13.347 -15.342 -0.555  1   26.635 ? 30  ASP   B HB2  1 c 2 
ATOM   2136 H HB3  . ASP   B 1 18  ? -14.656 -16.044 -0.006  1   27.42  ? 30  ASP   B HB3  1 c 2 
ATOM   2137 N N    . ARG   B 1 19  ? -13.622 -12.255 1.987   1   24.982 ? 31  ARG   B N    1 ? 2 
ATOM   2138 C CA   . ARG   B 1 19  ? -13.02  -10.921 2.031   1   23.838 ? 31  ARG   B CA   1 ? 2 
ATOM   2139 C C    . ARG   B 1 19  ? -12.963 -10.257 0.65    1   24.87  ? 31  ARG   B C    1 ? 2 
ATOM   2140 O O    . ARG   B 1 19  ? -12.2   -9.316  0.427   1   22.982 ? 31  ARG   B O    1 ? 2 
ATOM   2141 C CB   . ARG   B 1 19  ? -11.617 -10.982 2.661   1   25.674 ? 31  ARG   B CB   1 ? 2 
ATOM   2142 C CG   . ARG   B 1 19  ? -11.679 -11.301 4.152   1   28.372 ? 31  ARG   B CG   1 ? 2 
ATOM   2143 C CD   . ARG   B 1 19  ? -10.316 -11.379 4.827   1   29.682 ? 31  ARG   B CD   1 ? 2 
ATOM   2144 N NE   . ARG   B 1 19  ? -9.442  -10.22  4.61    1   28.949 ? 31  ARG   B NE   1 ? 2 
ATOM   2145 C CZ   . ARG   B 1 19  ? -9.492  -9.047  5.26    1   28.829 ? 31  ARG   B CZ   1 ? 2 
ATOM   2146 N NH1  . ARG   B 1 19  ? -10.374 -8.855  6.267   1   27.358 ? 31  ARG   B NH1  1 ? 2 
ATOM   2147 N NH2  . ARG   B 1 19  ? -8.591  -8.085  4.926   1   29.64  ? 31  ARG   B NH2  1 ? 2 
ATOM   2148 H H    . ARG   B 1 19  ? -14.34  -12.411 2.528   1   25.033 ? 31  ARG   B H    1 c 2 
ATOM   2149 H HA   . ARG   B 1 19  ? -13.584 -10.355 2.616   1   24.421 ? 31  ARG   B HA   1 c 2 
ATOM   2150 H HB2  . ARG   B 1 19  ? -11.083 -11.667 2.206   1   25.895 ? 31  ARG   B HB2  1 c 2 
ATOM   2151 H HB3  . ARG   B 1 19  ? -11.17  -10.117 2.539   1   25.414 ? 31  ARG   B HB3  1 c 2 
ATOM   2152 H HG2  . ARG   B 1 19  ? -12.215 -10.613 4.603   1   27.935 ? 31  ARG   B HG2  1 c 2 
ATOM   2153 H HG3  . ARG   B 1 19  ? -12.14  -12.159 4.275   1   28.626 ? 31  ARG   B HG3  1 c 2 
ATOM   2154 H HD2  . ARG   B 1 19  ? -10.454 -11.497 5.789   1   30.396 ? 31  ARG   B HD2  1 c 2 
ATOM   2155 H HD3  . ARG   B 1 19  ? -9.861  -12.181 4.5     1   29.809 ? 31  ARG   B HD3  1 c 2 
ATOM   2156 H HE   . ARG   B 1 19  ? -8.829  -10.3   3.996   1   29.082 ? 31  ARG   B HE   1 c 2 
ATOM   2157 H HH11 . ARG   B 1 19  ? -11.079 -9.381  6.353   1   27.811 ? 31  ARG   B HH11 1 c 2 
ATOM   2158 H HH12 . ARG   B 1 19  ? -10.243 -8.192  6.838   1   28.172 ? 31  ARG   B HH12 1 c 2 
ATOM   2159 H HH21 . ARG   B 1 19  ? -7.98   -8.244  4.307   1   29.381 ? 31  ARG   B HH21 1 c 2 
ATOM   2160 H HH22 . ARG   B 1 19  ? -8.619  -7.3    5.331   1   29.499 ? 31  ARG   B HH22 1 c 2 
ATOM   2161 N N    . GLY   B 1 20  ? -13.891 -10.662 -0.211  1   23.977 ? 32  GLY   B N    1 ? 2 
ATOM   2162 C CA   . GLY   B 1 20  ? -13.913 -10.149 -1.558  1   24.463 ? 32  GLY   B CA   1 ? 2 
ATOM   2163 C C    . GLY   B 1 20  ? -14.449 -8.724  -1.661  1   23.604 ? 32  GLY   B C    1 ? 2 
ATOM   2164 O O    . GLY   B 1 20  ? -14.145 -7.994  -2.618  1   22.671 ? 32  GLY   B O    1 ? 2 
ATOM   2165 H H    . GLY   B 1 20  ? -14.537 -11.253 0.049   1   24.227 ? 32  GLY   B H    1 c 2 
ATOM   2166 H HA2  . GLY   B 1 20  ? -13     -10.176 -1.923  1   24.491 ? 32  GLY   B HA2  1 c 2 
ATOM   2167 H HA3  . GLY   B 1 20  ? -14.47  -10.743 -2.109  1   24.344 ? 32  GLY   B HA3  1 c 2 
ATOM   2168 N N    . VAL   B 1 21  ? -15.27  -8.326  -0.67   1   22.093 ? 33  VAL   B N    1 ? 2 
ATOM   2169 C CA   . VAL   B 1 21  ? -15.792 -6.982  -0.569  1   22.206 ? 33  VAL   B CA   1 ? 2 
ATOM   2170 C C    . VAL   B 1 21  ? -15.703 -6.593  0.896   1   22.958 ? 33  VAL   B C    1 ? 2 
ATOM   2171 O O    . VAL   B 1 21  ? -16.419 -7.198  1.708   1   23.05  ? 33  VAL   B O    1 ? 2 
ATOM   2172 C CB   . VAL   B 1 21  ? -17.24  -6.857  -1.07   1   22.422 ? 33  VAL   B CB   1 ? 2 
ATOM   2173 C CG1  . VAL   B 1 21  ? -17.694 -5.399  -1.027  1   24.646 ? 33  VAL   B CG1  1 ? 2 
ATOM   2174 C CG2  . VAL   B 1 21  ? -17.387 -7.474  -2.489  1   22.082 ? 33  VAL   B CG2  1 ? 2 
ATOM   2175 H H    . VAL   B 1 21  ? -15.504 -8.929  -0.025  1   22.88  ? 33  VAL   B H    1 c 2 
ATOM   2176 H HA   . VAL   B 1 21  ? -15.225 -6.383  -1.092  1   21.636 ? 33  VAL   B HA   1 c 2 
ATOM   2177 H HB   . VAL   B 1 21  ? -17.81  -7.374  -0.454  1   23.149 ? 33  VAL   B HB   1 c 2 
ATOM   2178 H HG11 . VAL   B 1 21  ? -17.062 -4.848  -1.519  1   23.938 ? 33  VAL   B HG11 1 c 2 
ATOM   2179 H HG12 . VAL   B 1 21  ? -17.738 -5.097  -0.105  1   24.387 ? 33  VAL   B HG12 1 c 2 
ATOM   2180 H HG13 . VAL   B 1 21  ? -18.574 -5.322  -1.433  1   24.332 ? 33  VAL   B HG13 1 c 2 
ATOM   2181 H HG21 . VAL   B 1 21  ? -18.283 -7.305  -2.825  1   22.255 ? 33  VAL   B HG21 1 c 2 
ATOM   2182 H HG22 . VAL   B 1 21  ? -17.234 -8.433  -2.445  1   22.334 ? 33  VAL   B HG22 1 c 2 
ATOM   2183 H HG23 . VAL   B 1 21  ? -16.737 -7.07   -3.088  1   22.008 ? 33  VAL   B HG23 1 c 2 
ATOM   2184 N N    . LEU   B 1 22  ? -14.892 -5.559  1.153   1   21.774 ? 34  LEU   B N    1 ? 2 
ATOM   2185 C CA   . LEU   B 1 22  ? -14.653 -5.058  2.506   1   23.309 ? 34  LEU   B CA   1 ? 2 
ATOM   2186 C C    . LEU   B 1 22  ? -15.197 -3.654  2.572   1   22.789 ? 34  LEU   B C    1 ? 2 
ATOM   2187 O O    . LEU   B 1 22  ? -14.975 -2.851  1.643   1   25.008 ? 34  LEU   B O    1 ? 2 
ATOM   2188 C CB   . LEU   B 1 22  ? -13.17  -5.124  2.812   1   23.01  ? 34  LEU   B CB   1 ? 2 
ATOM   2189 C CG   . LEU   B 1 22  ? -12.564 -6.513  2.845   1   24.611 ? 34  LEU   B CG   1 ? 2 
ATOM   2190 C CD1  . LEU   B 1 22  ? -11.056 -6.338  2.91    1   26.505 ? 34  LEU   B CD1  1 ? 2 
ATOM   2191 C CD2  . LEU   B 1 22  ? -12.986 -7.396  4.004   1   25.904 ? 34  LEU   B CD2  1 ? 2 
ATOM   2192 H H    . LEU   B 1 22  ? -14.467 -5.145  0.457   1   21.954 ? 34  LEU   B H    1 c 2 
ATOM   2193 H HA   . LEU   B 1 22  ? -15.144 -5.627  3.146   1   23.137 ? 34  LEU   B HA   1 c 2 
ATOM   2194 H HB2  . LEU   B 1 22  ? -12.694 -4.592  2.133   1   23.318 ? 34  LEU   B HB2  1 c 2 
ATOM   2195 H HB3  . LEU   B 1 22  ? -13.017 -4.698  3.687   1   23.818 ? 34  LEU   B HB3  1 c 2 
ATOM   2196 H HG   . LEU   B 1 22  ? -12.79  -6.975  1.997   1   24.31  ? 34  LEU   B HG   1 c 2 
ATOM   2197 H HD11 . LEU   B 1 22  ? -10.748 -5.866  2.119   1   26.034 ? 34  LEU   B HD11 1 c 2 
ATOM   2198 H HD12 . LEU   B 1 22  ? -10.63  -7.211  2.952   1   26.563 ? 34  LEU   B HD12 1 c 2 
ATOM   2199 H HD13 . LEU   B 1 22  ? -10.822 -5.827  3.703   1   26.815 ? 34  LEU   B HD13 1 c 2 
ATOM   2200 H HD21 . LEU   B 1 22  ? -13.947 -7.53   3.976   1   25.464 ? 34  LEU   B HD21 1 c 2 
ATOM   2201 H HD22 . LEU   B 1 22  ? -12.743 -6.97   4.843   1   26.281 ? 34  LEU   B HD22 1 c 2 
ATOM   2202 H HD23 . LEU   B 1 22  ? -12.538 -8.256  3.937   1   25.995 ? 34  LEU   B HD23 1 c 2 
ATOM   2203 N N    . LYS   B 1 23  ? -15.843 -3.308  3.714   1   23.328 ? 35  LYS   B N    1 ? 2 
ATOM   2204 C CA   . LYS   B 1 23  ? -16.572 -2.063  3.823   1   23.677 ? 35  LYS   B CA   1 ? 2 
ATOM   2205 C C    . LYS   B 1 23  ? -16.247 -1.354  5.136   1   24.898 ? 35  LYS   B C    1 ? 2 
ATOM   2206 O O    . LYS   B 1 23  ? -16.13  -2.018  6.15    1   25.442 ? 35  LYS   B O    1 ? 2 
ATOM   2207 C CB   . LYS   B 1 23  ? -18.087 -2.293  3.795   1   23.389 ? 35  LYS   B CB   1 ? 2 
ATOM   2208 C CG   . LYS   B 1 23  ? -18.922 -1.053  3.844   1   24.115 ? 35  LYS   B CG   1 ? 2 
ATOM   2209 C CD   . LYS   B 1 23  ? -20.426 -1.306  3.924   1   25.322 ? 35  LYS   B CD   1 ? 2 
ATOM   2210 C CE   . LYS   B 1 23  ? -21.154 -0.022  4.068   1   26.75  ? 35  LYS   B CE   1 ? 2 
ATOM   2211 N NZ   . LYS   B 1 23  ? -22.548 -0.16   4.503   1   27.331 ? 35  LYS   B NZ   1 ? 2 
ATOM   2212 H H    . LYS   B 1 23  ? -15.82  -3.87   4.434   1   23.313 ? 35  LYS   B H    1 c 2 
ATOM   2213 H HA   . LYS   B 1 23  ? -16.318 -1.479  3.068   1   23.388 ? 35  LYS   B HA   1 c 2 
ATOM   2214 H HB2  . LYS   B 1 23  ? -18.314 -2.785  2.978   1   22.974 ? 35  LYS   B HB2  1 c 2 
ATOM   2215 H HB3  . LYS   B 1 23  ? -18.331 -2.859  4.559   1   23.736 ? 35  LYS   B HB3  1 c 2 
ATOM   2216 H HG2  . LYS   B 1 23  ? -18.65  -0.524  4.625   1   24.81  ? 35  LYS   B HG2  1 c 2 
ATOM   2217 H HG3  . LYS   B 1 23  ? -18.731 -0.518  3.043   1   23.987 ? 35  LYS   B HG3  1 c 2 
ATOM   2218 H HD2  . LYS   B 1 23  ? -20.727 -1.761  3.107   1   24.824 ? 35  LYS   B HD2  1 c 2 
ATOM   2219 H HD3  . LYS   B 1 23  ? -20.623 -1.881  4.695   1   25.622 ? 35  LYS   B HD3  1 c 2 
ATOM   2220 H HE2  . LYS   B 1 23  ? -20.686 0.539   4.712   1   26.921 ? 35  LYS   B HE2  1 c 2 
ATOM   2221 H HE3  . LYS   B 1 23  ? -21.143 0.442   3.212   1   26.253 ? 35  LYS   B HE3  1 c 2 
ATOM   2222 H HZ1  . LYS   B 1 23  ? -22.579 -0.593  5.299   1   27.87  ? 35  LYS   B HZ1  1 c 2 
ATOM   2223 H HZ2  . LYS   B 1 23  ? -23.016 -0.634  3.888   1   27.243 ? 35  LYS   B HZ2  1 c 2 
ATOM   2224 H HZ3  . LYS   B 1 23  ? -22.923 0.659   4.596   1   27.96  ? 35  LYS   B HZ3  1 c 2 
ATOM   2225 N N    . ILE   B 1 24  ? -16.045 -0.034  5.084   1   25.095 ? 36  ILE   B N    1 ? 2 
ATOM   2226 C CA   . ILE   B 1 24  ? -16.072 0.83    6.271   1   26.106 ? 36  ILE   B CA   1 ? 2 
ATOM   2227 C C    . ILE   B 1 24  ? -17.071 1.938   6.032   1   27.831 ? 36  ILE   B C    1 ? 2 
ATOM   2228 O O    . ILE   B 1 24  ? -17.015 2.616   5.008   1   29.141 ? 36  ILE   B O    1 ? 2 
ATOM   2229 C CB   . ILE   B 1 24  ? -14.705 1.463   6.567   1   28.593 ? 36  ILE   B CB   1 ? 2 
ATOM   2230 C CG1  . ILE   B 1 24  ? -13.645 0.418   6.873   1   29.219 ? 36  ILE   B CG1  1 ? 2 
ATOM   2231 C CG2  . ILE   B 1 24  ? -14.789 2.472   7.717   1   32.911 ? 36  ILE   B CG2  1 ? 2 
ATOM   2232 C CD1  . ILE   B 1 24  ? -12.244 1.012   6.963   1   29.014 ? 36  ILE   B CD1  1 ? 2 
ATOM   2233 H H    . ILE   B 1 24  ? -15.88  0.352   4.272   1   24.856 ? 36  ILE   B H    1 c 2 
ATOM   2234 H HA   . ILE   B 1 24  ? -16.353 0.304   7.044   1   27.046 ? 36  ILE   B HA   1 c 2 
ATOM   2235 H HB   . ILE   B 1 24  ? -14.421 1.945   5.766   1   28.139 ? 36  ILE   B HB   1 c 2 
ATOM   2236 H HG12 . ILE   B 1 24  ? -13.862 -0.019  7.721   1   29.439 ? 36  ILE   B HG12 1 c 2 
ATOM   2237 H HG13 . ILE   B 1 24  ? -13.656 -0.264  6.169   1   27.93  ? 36  ILE   B HG13 1 c 2 
ATOM   2238 H HG21 . ILE   B 1 24  ? -13.908 2.835   7.903   1   32.673 ? 36  ILE   B HG21 1 c 2 
ATOM   2239 H HG22 . ILE   B 1 24  ? -15.13  2.031   8.514   1   32.799 ? 36  ILE   B HG22 1 c 2 
ATOM   2240 H HG23 . ILE   B 1 24  ? -15.386 3.198   7.472   1   32.43  ? 36  ILE   B HG23 1 c 2 
ATOM   2241 H HD11 . ILE   B 1 24  ? -12.039 1.49    6.137   1   29.015 ? 36  ILE   B HD11 1 c 2 
ATOM   2242 H HD12 . ILE   B 1 24  ? -11.598 0.292   7.088   1   29.174 ? 36  ILE   B HD12 1 c 2 
ATOM   2243 H HD13 . ILE   B 1 24  ? -12.186 1.628   7.717   1   30.235 ? 36  ILE   B HD13 1 c 2 
ATOM   2244 N N    . VAL   B 1 25  ? -17.918 2.211   7.032   1   29.349 ? 37  VAL   B N    1 ? 2 
ATOM   2245 C CA   . VAL   B 1 25  ? -18.777 3.382   6.984   1   29.593 ? 37  VAL   B CA   1 ? 2 
ATOM   2246 C C    . VAL   B 1 25  ? -17.966 4.588   7.442   1   30.499 ? 37  VAL   B C    1 ? 2 
ATOM   2247 O O    . VAL   B 1 25  ? -17.381 4.563   8.519   1   32.384 ? 37  VAL   B O    1 ? 2 
ATOM   2248 C CB   . VAL   B 1 25  ? -20.037 3.175   7.836   1   30.931 ? 37  VAL   B CB   1 ? 2 
ATOM   2249 C CG1  . VAL   B 1 25  ? -20.881 4.458   7.9     1   34.914 ? 37  VAL   B CG1  1 ? 2 
ATOM   2250 C CG2  . VAL   B 1 25  ? -20.865 2.019   7.32    1   30.286 ? 37  VAL   B CG2  1 ? 2 
ATOM   2251 H H    . VAL   B 1 25  ? -17.962 1.657   7.758   1   29.344 ? 37  VAL   B H    1 c 2 
ATOM   2252 H HA   . VAL   B 1 25  ? -19.054 3.525   6.058   1   29.086 ? 37  VAL   B HA   1 c 2 
ATOM   2253 H HB   . VAL   B 1 25  ? -19.74  2.956   8.75    1   31.705 ? 37  VAL   B HB   1 c 2 
ATOM   2254 H HG11 . VAL   B 1 25  ? -21.052 4.78    7       1   33.888 ? 37  VAL   B HG11 1 c 2 
ATOM   2255 H HG12 . VAL   B 1 25  ? -20.404 5.14    8.403   1   35.179 ? 37  VAL   B HG12 1 c 2 
ATOM   2256 H HG13 . VAL   B 1 25  ? -21.727 4.268   8.341   1   34.869 ? 37  VAL   B HG13 1 c 2 
ATOM   2257 H HG21 . VAL   B 1 25  ? -21.671 1.932   7.857   1   30.862 ? 37  VAL   B HG21 1 c 2 
ATOM   2258 H HG22 . VAL   B 1 25  ? -20.349 1.197   7.378   1   29.514 ? 37  VAL   B HG22 1 c 2 
ATOM   2259 H HG23 . VAL   B 1 25  ? -21.11  2.183   6.394   1   29.807 ? 37  VAL   B HG23 1 c 2 
ATOM   2260 N N    . LYS   B 1 26  ? -17.852 5.621   6.59    1   30.768 ? 38  LYS   B N    1 ? 2 
ATOM   2261 C CA   . LYS   B 1 26  ? -17.053 6.805   6.887   1   33.463 ? 38  LYS   B CA   1 ? 2 
ATOM   2262 C C    . LYS   B 1 26  ? -17.929 7.94    7.416   1   34.714 ? 38  LYS   B C    1 ? 2 
ATOM   2263 O O    . LYS   B 1 26  ? -17.466 8.805   8.158   1   38.743 ? 38  LYS   B O    1 ? 2 
ATOM   2264 C CB   . LYS   B 1 26  ? -16.232 7.253   5.67    1   34.421 ? 38  LYS   B CB   1 ? 2 
ATOM   2265 C CG   . LYS   B 1 26  ? -15.169 6.301   5.236   1   33.016 ? 38  LYS   B CG   1 ? 2 
ATOM   2266 C CD   . LYS   B 1 26  ? -14.195 5.923   6.329   1   37.183 ? 38  LYS   B CD   1 ? 2 
ATOM   2267 C CE   . LYS   B 1 26  ? -13.01  6.766   6.344   1   38.496 ? 38  LYS   B CE   1 ? 2 
ATOM   2268 N NZ   . LYS   B 1 26  ? -11.995 6.326   7.339   1   41.332 ? 38  LYS   B NZ   1 ? 2 
ATOM   2269 H H    . LYS   B 1 26  ? -18.287 5.58    5.788   1   29.763 ? 38  LYS   B H    1 c 2 
ATOM   2270 H HA   . LYS   B 1 26  ? -16.419 6.569   7.606   1   33.954 ? 38  LYS   B HA   1 c 2 
ATOM   2271 H HB2  . LYS   B 1 26  ? -16.843 7.398   4.917   1   33.618 ? 38  LYS   B HB2  1 c 2 
ATOM   2272 H HB3  . LYS   B 1 26  ? -15.809 8.114   5.878   1   35.308 ? 38  LYS   B HB3  1 c 2 
ATOM   2273 H HG2  . LYS   B 1 26  ? -15.601 5.486   4.899   1   32.415 ? 38  LYS   B HG2  1 c 2 
ATOM   2274 H HG3  . LYS   B 1 26  ? -14.674 6.706   4.49    1   33.698 ? 38  LYS   B HG3  1 c 2 
ATOM   2275 H HD2  . LYS   B 1 26  ? -14.636 5.98    7.201   1   36.93  ? 38  LYS   B HD2  1 c 2 
ATOM   2276 H HD3  . LYS   B 1 26  ? -13.919 4.99    6.196   1   35.231 ? 38  LYS   B HD3  1 c 2 
ATOM   2277 H HE2  . LYS   B 1 26  ? -12.601 6.764   5.461   1   38.375 ? 38  LYS   B HE2  1 c 2 
ATOM   2278 H HE3  . LYS   B 1 26  ? -13.273 7.681   6.55    1   40.17  ? 38  LYS   B HE3  1 c 2 
ATOM   2279 H HZ1  . LYS   B 1 26  ? -11.658 5.521   7.096   1   39.812 ? 38  LYS   B HZ1  1 c 2 
ATOM   2280 H HZ2  . LYS   B 1 26  ? -12.379 6.254   8.156   1   41.242 ? 38  LYS   B HZ2  1 c 2 
ATOM   2281 H HZ3  . LYS   B 1 26  ? -11.322 6.931   7.377   1   41.969 ? 38  LYS   B HZ3  1 c 2 
ATOM   2282 N N    . ARG   B 1 27  ? -19.178 7.996   6.925   1   33.601 ? 39  ARG   B N    1 ? 2 
ATOM   2283 C CA   . ARG   B 1 27  ? -20.179 8.899   7.451   1   34.959 ? 39  ARG   B CA   1 ? 2 
ATOM   2284 C C    . ARG   B 1 27  ? -21.489 8.137   7.535   1   33.894 ? 39  ARG   B C    1 ? 2 
ATOM   2285 O O    . ARG   B 1 27  ? -21.934 7.583   6.529   1   35.544 ? 39  ARG   B O    1 ? 2 
ATOM   2286 C CB   . ARG   B 1 27  ? -20.361 10.129  6.552   1   38.105 ? 39  ARG   B CB   1 ? 2 
ATOM   2287 C CG   . ARG   B 1 27  ? -21.222 11.177  7.251   1   41.269 ? 39  ARG   B CG   1 ? 2 
ATOM   2288 C CD   . ARG   B 1 27  ? -21.429 12.4    6.382   1   41.832 ? 39  ARG   B CD   1 ? 2 
ATOM   2289 N NE   . ARG   B 1 27  ? -22.278 12.12   5.219   1   40.372 ? 39  ARG   B NE   1 ? 2 
ATOM   2290 C CZ   . ARG   B 1 27  ? -22.419 12.867  4.124   1   41.438 ? 39  ARG   B CZ   1 ? 2 
ATOM   2291 N NH1  . ARG   B 1 27  ? -23.249 12.467  3.149   1   38.691 ? 39  ARG   B NH1  1 ? 2 
ATOM   2292 N NH2  . ARG   B 1 27  ? -21.688 13.973  3.982   1   41.686 ? 39  ARG   B NH2  1 ? 2 
ATOM   2293 H H    . ARG   B 1 27  ? -19.404 7.46    6.221   1   32.683 ? 39  ARG   B H    1 c 2 
ATOM   2294 H HA   . ARG   B 1 27  ? -19.908 9.185   8.36    1   36.32  ? 39  ARG   B HA   1 c 2 
ATOM   2295 H HB2  . ARG   B 1 27  ? -19.484 10.515  6.343   1   37.89  ? 39  ARG   B HB2  1 c 2 
ATOM   2296 H HB3  . ARG   B 1 27  ? -20.789 9.863   5.711   1   36.868 ? 39  ARG   B HB3  1 c 2 
ATOM   2297 H HG2  . ARG   B 1 27  ? -22.096 10.789  7.471   1   40.951 ? 39  ARG   B HG2  1 c 2 
ATOM   2298 H HG3  . ARG   B 1 27  ? -20.788 11.448  8.089   1   42.038 ? 39  ARG   B HG3  1 c 2 
ATOM   2299 H HD2  . ARG   B 1 27  ? -21.841 13.109  6.918   1   43.634 ? 39  ARG   B HD2  1 c 2 
ATOM   2300 H HD3  . ARG   B 1 27  ? -20.557 12.723  6.075   1   41.754 ? 39  ARG   B HD3  1 c 2 
ATOM   2301 H HE   . ARG   B 1 27  ? -22.744 11.384  5.243   1   39.774 ? 39  ARG   B HE   1 c 2 
ATOM   2302 H HH11 . ARG   B 1 27  ? -23.578 11.647  3.155   1   38.181 ? 39  ARG   B HH11 1 c 2 
ATOM   2303 H HH12 . ARG   B 1 27  ? -23.464 13.03   2.501   1   39.67  ? 39  ARG   B HH12 1 c 2 
ATOM   2304 H HH21 . ARG   B 1 27  ? -21.353 14.383  4.69    1   42.706 ? 39  ARG   B HH21 1 c 2 
ATOM   2305 H HH22 . ARG   B 1 27  ? -21.544 14.297  3.171   1   41.944 ? 39  ARG   B HH22 1 c 2 
ATOM   2306 N N    . VAL   B 1 28  ? -22.124 8.176   8.72    1   37.276 ? 40  VAL   B N    1 ? 2 
ATOM   2307 C CA   . VAL   B 1 28  ? -23.387 7.494   8.932   1   39.276 ? 40  VAL   B CA   1 ? 2 
ATOM   2308 C C    . VAL   B 1 28  ? -24.467 8.287   8.198   1   41.434 ? 40  VAL   B C    1 ? 2 
ATOM   2309 O O    . VAL   B 1 28  ? -24.499 9.526   8.29    1   41.887 ? 40  VAL   B O    1 ? 2 
ATOM   2310 C CB   . VAL   B 1 28  ? -23.675 7.375   10.444  1   41.722 ? 40  VAL   B CB   1 ? 2 
ATOM   2311 C CG1  . VAL   B 1 28  ? -25.057 6.832   10.752  1   45.131 ? 40  VAL   B CG1  1 ? 2 
ATOM   2312 C CG2  . VAL   B 1 28  ? -22.653 6.53    11.176  1   44.304 ? 40  VAL   B CG2  1 ? 2 
ATOM   2313 H H    . VAL   B 1 28  ? -21.756 8.647   9.412   1   38.284 ? 40  VAL   B H    1 c 2 
ATOM   2314 H HA   . VAL   B 1 28  ? -23.329 6.597   8.549   1   38.012 ? 40  VAL   B HA   1 c 2 
ATOM   2315 H HB   . VAL   B 1 28  ? -23.626 8.286   10.818  1   43.591 ? 40  VAL   B HB   1 c 2 
ATOM   2316 H HG11 . VAL   B 1 28  ? -25.2   6.006   10.26   1   43.315 ? 40  VAL   B HG11 1 c 2 
ATOM   2317 H HG12 . VAL   B 1 28  ? -25.728 7.483   10.492  1   45.357 ? 40  VAL   B HG12 1 c 2 
ATOM   2318 H HG13 . VAL   B 1 28  ? -25.133 6.657   11.706  1   45.562 ? 40  VAL   B HG13 1 c 2 
ATOM   2319 H HG21 . VAL   B 1 28  ? -22.872 6.502   12.123  1   44.554 ? 40  VAL   B HG21 1 c 2 
ATOM   2320 H HG22 . VAL   B 1 28  ? -21.769 6.916   11.061  1   43.264 ? 40  VAL   B HG22 1 c 2 
ATOM   2321 H HG23 . VAL   B 1 28  ? -22.661 5.627   10.816  1   42.303 ? 40  VAL   B HG23 1 c 2 
ATOM   2322 N N    . GLY   B 1 29  ? -25.344 7.551   7.503   1   41.442 ? 41  GLY   B N    1 ? 2 
ATOM   2323 C CA   . GLY   B 1 29  ? -26.514 8.103   6.853   1   43.637 ? 41  GLY   B CA   1 ? 2 
ATOM   2324 C C    . GLY   B 1 29  ? -27.748 8.047   7.765   1   50.909 ? 41  GLY   B C    1 ? 2 
ATOM   2325 O O    . GLY   B 1 29  ? -27.644 7.858   8.968   1   49.564 ? 41  GLY   B O    1 ? 2 
ATOM   2326 H H    . GLY   B 1 29  ? -25.2   6.651   7.434   1   40.363 ? 41  GLY   B H    1 c 2 
ATOM   2327 H HA2  . GLY   B 1 29  ? -26.333 9.038   6.599   1   44.915 ? 41  GLY   B HA2  1 c 2 
ATOM   2328 H HA3  . GLY   B 1 29  ? -26.692 7.594   6.028   1   43.119 ? 41  GLY   B HA3  1 c 2 
ATOM   2329 N N    . ASN   B 1 30  ? -28.943 8.133   7.155   1   59.153 ? 42  ASN   B N    1 ? 2 
ATOM   2330 C CA   . ASN   B 1 30  ? -30.176 8.437   7.874   1   65.006 ? 42  ASN   B CA   1 ? 2 
ATOM   2331 C C    . ASN   B 1 30  ? -31.308 7.533   7.395   1   67.772 ? 42  ASN   B C    1 ? 2 
ATOM   2332 O O    . ASN   B 1 30  ? -31.383 7.152   6.226   1   61.275 ? 42  ASN   B O    1 ? 2 
ATOM   2333 C CB   . ASN   B 1 30  ? -30.547 9.902   7.719   1   68.708 ? 42  ASN   B CB   1 ? 2 
ATOM   2334 C CG   . ASN   B 1 30  ? -29.313 10.772  7.793   1   70.228 ? 42  ASN   B CG   1 ? 2 
ATOM   2335 O OD1  . ASN   B 1 30  ? -28.399 10.637  6.949   1   69.477 ? 42  ASN   B OD1  1 ? 2 
ATOM   2336 N ND2  . ASN   B 1 30  ? -29.231 11.606  8.822   1   72.301 ? 42  ASN   B ND2  1 ? 2 
ATOM   2337 H H    . ASN   B 1 30  ? -28.988 7.996   6.253   1   56.968 ? 42  ASN   B H    1 c 2 
ATOM   2338 H HA   . ASN   B 1 30  ? -30.027 8.269   8.831   1   65.519 ? 42  ASN   B HA   1 c 2 
ATOM   2339 H HB2  . ASN   B 1 30  ? -30.988 10.037  6.856   1   68.555 ? 42  ASN   B HB2  1 c 2 
ATOM   2340 H HB3  . ASN   B 1 30  ? -31.173 10.157  8.426   1   70.234 ? 42  ASN   B HB3  1 c 2 
ATOM   2341 H HD21 . ASN   B 1 30  ? -28.577 12.204  8.853   1   72.509 ? 42  ASN   B HD21 1 c 2 
ATOM   2342 H HD22 . ASN   B 1 30  ? -29.825 11.567  9.48    1   73.112 ? 42  ASN   B HD22 1 c 2 
ATOM   2343 N N    . GLY   B 1 31  ? -32.195 7.203   8.339   1   71.7   ? 43  GLY   B N    1 ? 2 
ATOM   2344 C CA   . GLY   B 1 31  ? -33.208 6.19    8.097   1   71.521 ? 43  GLY   B CA   1 ? 2 
ATOM   2345 C C    . GLY   B 1 31  ? -32.601 4.798   8.208   1   71.715 ? 43  GLY   B C    1 ? 2 
ATOM   2346 O O    . GLY   B 1 31  ? -31.374 4.637   8.147   1   70.729 ? 43  GLY   B O    1 ? 2 
ATOM   2347 H H    . GLY   B 1 31  ? -32.173 7.622   9.15    1   72.105 ? 43  GLY   B H    1 c 2 
ATOM   2348 H HA2  . GLY   B 1 31  ? -33.934 6.292   8.757   1   73.449 ? 43  GLY   B HA2  1 c 2 
ATOM   2349 H HA3  . GLY   B 1 31  ? -33.592 6.317   7.197   1   72.031 ? 43  GLY   B HA3  1 c 2 
ATOM   2350 N N    . GLU   B 1 32  ? -33.499 3.817   8.36    1   73.694 ? 44  GLU   B N    1 ? 2 
ATOM   2351 C CA   . GLU   B 1 32  ? -33.162 2.414   8.559   1   71.491 ? 44  GLU   B CA   1 ? 2 
ATOM   2352 C C    . GLU   B 1 32  ? -33.661 1.604   7.357   1   67.072 ? 44  GLU   B C    1 ? 2 
ATOM   2353 O O    . GLU   B 1 32  ? -33.861 0.383   7.448   1   63.84  ? 44  GLU   B O    1 ? 2 
ATOM   2354 C CB   . GLU   B 1 32  ? -33.754 1.915   9.89    1   72.214 ? 44  GLU   B CB   1 ? 2 
ATOM   2355 H H    . GLU   B 1 32  ? -34.384 4.042   8.336   1   74.604 ? 44  GLU   B H    1 c 2 
ATOM   2356 H HA   . GLU   B 1 32  ? -32.177 2.331   8.604   1   69.285 ? 44  GLU   B HA   1 c 2 
ATOM   2357 H HB2  . GLU   B 1 32  ? -33.175 1.734   10.536  0   20     ? 44  GLU   B HB2  1 c 2 
ATOM   2358 H HB3  . GLU   B 1 32  ? -34.851 2.023   9.792   0   20     ? 44  GLU   B HB3  1 c 2 
ATOM   2359 N N    . GLU   B 1 33  ? -33.894 2.282   6.215   1   60.298 ? 45  GLU   B N    1 ? 2 
ATOM   2360 C CA   . GLU   B 1 33  ? -34.102 1.535   4.998   1   50.365 ? 45  GLU   B CA   1 ? 2 
ATOM   2361 C C    . GLU   B 1 33  ? -32.823 1.612   4.154   1   44.567 ? 45  GLU   B C    1 ? 2 
ATOM   2362 O O    . GLU   B 1 33  ? -32.317 2.671   3.783   1   42.257 ? 45  GLU   B O    1 ? 2 
ATOM   2363 C CB   . GLU   B 1 33  ? -35.384 1.922   4.274   1   51.188 ? 45  GLU   B CB   1 ? 2 
ATOM   2364 H H    . GLU   B 1 33  ? -33.92  3.196   6.198   1   59.592 ? 45  GLU   B H    1 c 2 
ATOM   2365 H HA   . GLU   B 1 33  ? -34.226 0.586   5.251   1   50.361 ? 45  GLU   B HA   1 c 2 
ATOM   2366 H HB2  . GLU   B 1 33  ? -35.135 2.404   3.489   0   20     ? 45  GLU   B HB2  1 c 2 
ATOM   2367 H HB3  . GLU   B 1 33  ? -36.147 1.633   4.842   0   20     ? 45  GLU   B HB3  1 c 2 
ATOM   2368 N N    . THR   B 1 34  ? -32.272 0.459   3.833   1   42.598 ? 46  THR   B N    1 ? 2 
ATOM   2369 C CA   . THR   B 1 34  ? -31.317 0.404   2.733   1   37.75  ? 46  THR   B CA   1 ? 2 
ATOM   2370 C C    . THR   B 1 34  ? -32.13  0.415   1.442   1   39.881 ? 46  THR   B C    1 ? 2 
ATOM   2371 O O    . THR   B 1 34  ? -33.345 0.263   1.498   1   44.265 ? 46  THR   B O    1 ? 2 
ATOM   2372 C CB   . THR   B 1 34  ? -30.456 -0.842  2.901   1   35.704 ? 46  THR   B CB   1 ? 2 
ATOM   2373 O OG1  . THR   B 1 34  ? -31.312 -1.958  2.776   1   37.548 ? 46  THR   B OG1  1 ? 2 
ATOM   2374 C CG2  . THR   B 1 34  ? -29.711 -0.843  4.224   1   36.021 ? 46  THR   B CG2  1 ? 2 
ATOM   2375 H H    . THR   B 1 34  ? -32.486 -0.305  4.287   1   42.224 ? 46  THR   B H    1 c 2 
ATOM   2376 H HA   . THR   B 1 34  ? -30.743 1.198   2.765   1   37.724 ? 46  THR   B HA   1 c 2 
ATOM   2377 H HB   . THR   B 1 34  ? -29.791 -0.867  2.173   1   34.61  ? 46  THR   B HB   1 c 2 
ATOM   2378 H HG1  . THR   B 1 34  ? -31.923 -1.949  3.385   0   20     ? 46  THR   B HG1  1 c 2 
ATOM   2379 H HG21 . THR   B 1 34  ? -29.124 -1.617  4.264   1   34.891 ? 46  THR   B HG21 1 c 2 
ATOM   2380 H HG22 . THR   B 1 34  ? -30.347 -0.884  4.958   1   37.272 ? 46  THR   B HG22 1 c 2 
ATOM   2381 H HG23 . THR   B 1 34  ? -29.182 -0.032  4.299   1   35.59  ? 46  THR   B HG23 1 c 2 
ATOM   2382 N N    . PRO   B 1 35  ? -31.556 0.669   0.245   1   39.421 ? 47  PRO   B N    1 ? 2 
ATOM   2383 C CA   . PRO   B 1 35  ? -32.268 0.393   -1.002  1   41.626 ? 47  PRO   B CA   1 ? 2 
ATOM   2384 C C    . PRO   B 1 35  ? -32.519 -1.094  -1.157  1   44.249 ? 47  PRO   B C    1 ? 2 
ATOM   2385 O O    . PRO   B 1 35  ? -31.803 -1.897  -0.545  1   45.729 ? 47  PRO   B O    1 ? 2 
ATOM   2386 C CB   . PRO   B 1 35  ? -31.337 0.927   -2.1    1   38.827 ? 47  PRO   B CB   1 ? 2 
ATOM   2387 C CG   . PRO   B 1 35  ? -29.973 0.997   -1.464  1   36.181 ? 47  PRO   B CG   1 ? 2 
ATOM   2388 C CD   . PRO   B 1 35  ? -30.214 1.214   0.013   1   38.124 ? 47  PRO   B CD   1 ? 2 
ATOM   2389 H HA   . PRO   B 1 35  ? -33.118 0.879   -1.014  1   42.986 ? 47  PRO   B HA   1 c 2 
ATOM   2390 H HB2  . PRO   B 1 35  ? -31.329 0.327   -2.871  1   38.278 ? 47  PRO   B HB2  1 c 2 
ATOM   2391 H HB3  . PRO   B 1 35  ? -31.624 1.811   -2.398  1   39.728 ? 47  PRO   B HB3  1 c 2 
ATOM   2392 H HG2  . PRO   B 1 35  ? -29.481 0.164   -1.61   1   35.435 ? 47  PRO   B HG2  1 c 2 
ATOM   2393 H HG3  . PRO   B 1 35  ? -29.454 1.736   -1.839  1   36.119 ? 47  PRO   B HG3  1 c 2 
ATOM   2394 H HD2  . PRO   B 1 35  ? -29.553 0.736   0.547   1   36.927 ? 47  PRO   B HD2  1 c 2 
ATOM   2395 H HD3  . PRO   B 1 35  ? -30.184 2.164   0.24    1   38.499 ? 47  PRO   B HD3  1 c 2 
ATOM   2396 N N    . MET   B 1 36  ? -33.563 -1.416  -1.938  1   47.339 ? 48  MET   B N    1 ? 2 
ATOM   2397 C CA   . MET   B 1 36  ? -33.966 -2.775  -2.242  1   46.625 ? 48  MET   B CA   1 ? 2 
ATOM   2398 C C    . MET   B 1 36  ? -33.564 -3.064  -3.694  1   43.153 ? 48  MET   B C    1 ? 2 
ATOM   2399 O O    . MET   B 1 36  ? -33.479 -2.148  -4.509  1   40.012 ? 48  MET   B O    1 ? 2 
ATOM   2400 C CB   . MET   B 1 36  ? -35.491 -2.869  -2.13   1   51.684 ? 48  MET   B CB   1 ? 2 
ATOM   2401 C CG   . MET   B 1 36  ? -36.081 -2.75   -0.699  1   55.931 ? 48  MET   B CG   1 ? 2 
ATOM   2402 S SD   . MET   B 1 36  ? -36.207 -4.322  0.18    1   55.695 ? 48  MET   B SD   1 ? 2 
ATOM   2403 C CE   . MET   B 1 36  ? -37.061 -3.916  1.697   1   65.159 ? 48  MET   B CE   1 ? 2 
ATOM   2404 H H    . MET   B 1 36  ? -34.054 -0.735  -2.298  1   47.554 ? 48  MET   B H    1 c 2 
ATOM   2405 H HA   . MET   B 1 36  ? -33.524 -3.409  -1.622  1   46.031 ? 48  MET   B HA   1 c 2 
ATOM   2406 H HB2  . MET   B 1 36  ? -35.884 -2.163  -2.687  1   52.442 ? 48  MET   B HB2  1 c 2 
ATOM   2407 H HB3  . MET   B 1 36  ? -35.771 -3.729  -2.508  1   52.018 ? 48  MET   B HB3  1 c 2 
ATOM   2408 H HG2  . MET   B 1 36  ? -35.52  -2.147  -0.172  1   54.033 ? 48  MET   B HG2  1 c 2 
ATOM   2409 H HG3  . MET   B 1 36  ? -36.973 -2.354  -0.754  1   56.79  ? 48  MET   B HG3  1 c 2 
ATOM   2410 H HE1  . MET   B 1 36  ? -37.251 -4.742  2.177   1   64.303 ? 48  MET   B HE1  1 c 2 
ATOM   2411 H HE2  . MET   B 1 36  ? -36.493 -3.335  2.236   1   62.438 ? 48  MET   B HE2  1 c 2 
ATOM   2412 H HE3  . MET   B 1 36  ? -37.895 -3.456  1.486   1   65.071 ? 48  MET   B HE3  1 c 2 
ATOM   2413 N N    . ILE   B 1 37  ? -33.377 -4.334  -4.014  1   43.401 ? 49  ILE   B N    1 ? 2 
ATOM   2414 C CA   . ILE   B 1 37  ? -33.088 -4.8    -5.356  1   42.815 ? 49  ILE   B CA   1 ? 2 
ATOM   2415 C C    . ILE   B 1 37  ? -34.165 -4.311  -6.328  1   42.91  ? 49  ILE   B C    1 ? 2 
ATOM   2416 O O    . ILE   B 1 37  ? -35.358 -4.456  -6.098  1   45.062 ? 49  ILE   B O    1 ? 2 
ATOM   2417 C CB   . ILE   B 1 37  ? -32.975 -6.332  -5.378  1   46.905 ? 49  ILE   B CB   1 ? 2 
ATOM   2418 C CG1  . ILE   B 1 37  ? -31.798 -6.784  -4.503  1   46.11  ? 49  ILE   B CG1  1 ? 2 
ATOM   2419 C CG2  . ILE   B 1 37  ? -32.874 -6.852  -6.832  1   48.619 ? 49  ILE   B CG2  1 ? 2 
ATOM   2420 C CD1  . ILE   B 1 37  ? -31.545 -8.272  -4.478  1   46.967 ? 49  ILE   B CD1  1 ? 2 
ATOM   2421 H H    . ILE   B 1 37  ? -33.45  -4.957  -3.35   1   43.353 ? 49  ILE   B H    1 c 2 
ATOM   2422 H HA   . ILE   B 1 37  ? -32.229 -4.425  -5.63   1   41.605 ? 49  ILE   B HA   1 c 2 
ATOM   2423 H HB   . ILE   B 1 37  ? -33.794 -6.696  -4.986  1   48.069 ? 49  ILE   B HB   1 c 2 
ATOM   2424 H HG12 . ILE   B 1 37  ? -30.987 -6.338  -4.822  1   44.923 ? 49  ILE   B HG12 1 c 2 
ATOM   2425 H HG13 . ILE   B 1 37  ? -31.957 -6.483  -3.585  1   46.217 ? 49  ILE   B HG13 1 c 2 
ATOM   2426 H HG21 . ILE   B 1 37  ? -32.768 -7.818  -6.827  1   48.525 ? 49  ILE   B HG21 1 c 2 
ATOM   2427 H HG22 . ILE   B 1 37  ? -32.107 -6.447  -7.27   1   46.946 ? 49  ILE   B HG22 1 c 2 
ATOM   2428 H HG23 . ILE   B 1 37  ? -33.682 -6.624  -7.319  1   49.633 ? 49  ILE   B HG23 1 c 2 
ATOM   2429 H HD11 . ILE   B 1 37  ? -32.358 -8.733  -4.196  1   48.041 ? 49  ILE   B HD11 1 c 2 
ATOM   2430 H HD12 . ILE   B 1 37  ? -30.829 -8.464  -3.842  1   45.852 ? 49  ILE   B HD12 1 c 2 
ATOM   2431 H HD13 . ILE   B 1 37  ? -31.283 -8.588  -5.363  1   46.685 ? 49  ILE   B HD13 1 c 2 
ATOM   2432 N N    . GLY   B 1 38  ? -33.728 -3.723  -7.446  1   40.279 ? 50  GLY   B N    1 ? 2 
ATOM   2433 C CA   . GLY   B 1 38  ? -34.653 -3.154  -8.411  1   41.182 ? 50  GLY   B CA   1 ? 2 
ATOM   2434 C C    . GLY   B 1 38  ? -34.71  -1.63   -8.3    1   42.367 ? 50  GLY   B C    1 ? 2 
ATOM   2435 O O    . GLY   B 1 38  ? -35.094 -0.96   -9.257  1   44.193 ? 50  GLY   B O    1 ? 2 
ATOM   2436 H H    . GLY   B 1 38  ? -32.831 -3.677  -7.613  1   39.031 ? 50  GLY   B H    1 c 2 
ATOM   2437 H HA2  . GLY   B 1 38  ? -34.363 -3.406  -9.319  1   41.382 ? 50  GLY   B HA2  1 c 2 
ATOM   2438 H HA3  . GLY   B 1 38  ? -35.552 -3.529  -8.265  1   42.941 ? 50  GLY   B HA3  1 c 2 
ATOM   2439 N N    . ASP   B 1 39  ? -34.362 -1.072  -7.13   1   39.728 ? 51  ASP   B N    1 ? 2 
ATOM   2440 C CA   . ASP   B 1 39  ? -34.463 0.359   -6.935  1   38.323 ? 51  ASP   B CA   1 ? 2 
ATOM   2441 C C    . ASP   B 1 39  ? -33.528 1.099   -7.887  1   37.972 ? 51  ASP   B C    1 ? 2 
ATOM   2442 O O    . ASP   B 1 39  ? -32.415 0.644   -8.167  1   38.521 ? 51  ASP   B O    1 ? 2 
ATOM   2443 C CB   . ASP   B 1 39  ? -34.092 0.766   -5.518  1   38.956 ? 51  ASP   B CB   1 ? 2 
ATOM   2444 C CG   . ASP   B 1 39  ? -35.12  0.44    -4.443  1   41.4   ? 51  ASP   B CG   1 ? 2 
ATOM   2445 O OD1  . ASP   B 1 39  ? -36.205 -0.065  -4.803  1   45.29  ? 51  ASP   B OD1  1 ? 2 
ATOM   2446 O OD2  . ASP   B 1 39  ? -34.834 0.723   -3.246  1   43.842 ? 51  ASP   B OD2  1 ? 2 
ATOM   2447 H H    . ASP   B 1 39  ? -34.06  -1.593  -6.443  1   38.914 ? 51  ASP   B H    1 c 2 
ATOM   2448 H HA   . ASP   B 1 39  ? -35.389 0.635   -7.118  1   40.763 ? 51  ASP   B HA   1 c 2 
ATOM   2449 H HB2  . ASP   B 1 39  ? -33.249 0.329   -5.278  1   37.313 ? 51  ASP   B HB2  1 c 2 
ATOM   2450 H HB3  . ASP   B 1 39  ? -33.941 1.734   -5.5    1   38.917 ? 51  ASP   B HB3  1 c 2 
ATOM   2451 N N    . LYS   B 1 40  ? -33.966 2.274   -8.335  1   38.804 ? 52  LYS   B N    1 ? 2 
ATOM   2452 C CA   . LYS   B 1 40  ? -33.085 3.216   -9.001  1   40.364 ? 52  LYS   B CA   1 ? 2 
ATOM   2453 C C    . LYS   B 1 40  ? -32.283 3.98    -7.942  1   38.788 ? 52  LYS   B C    1 ? 2 
ATOM   2454 O O    . LYS   B 1 40  ? -32.865 4.634   -7.06   1   41.891 ? 52  LYS   B O    1 ? 2 
ATOM   2455 C CB   . LYS   B 1 40  ? -33.966 4.107   -9.877  1   44.308 ? 52  LYS   B CB   1 ? 2 
ATOM   2456 C CG   . LYS   B 1 40  ? -33.236 5.192   -10.626 1   47.825 ? 52  LYS   B CG   1 ? 2 
ATOM   2457 C CD   . LYS   B 1 40  ? -34.2   6.127   -11.355 1   51.935 ? 52  LYS   B CD   1 ? 2 
ATOM   2458 C CE   . LYS   B 1 40  ? -33.444 6.973   -12.316 1   54.055 ? 52  LYS   B CE   1 ? 2 
ATOM   2459 N NZ   . LYS   B 1 40  ? -34.163 8.193   -12.684 1   60.448 ? 52  LYS   B NZ   1 ? 2 
ATOM   2460 H H    . LYS   B 1 40  ? -34.844 2.498   -8.22   1   40.83  ? 52  LYS   B H    1 c 2 
ATOM   2461 H HA   . LYS   B 1 40  ? -32.461 2.71    -9.581  1   39.037 ? 52  LYS   B HA   1 c 2 
ATOM   2462 H HB2  . LYS   B 1 40  ? -34.433 3.542   -10.529 1   45.131 ? 52  LYS   B HB2  1 c 2 
ATOM   2463 H HB3  . LYS   B 1 40  ? -34.647 4.529   -9.31   1   45.562 ? 52  LYS   B HB3  1 c 2 
ATOM   2464 H HG2  . LYS   B 1 40  ? -32.698 5.713   -9.992  1   46.669 ? 52  LYS   B HG2  1 c 2 
ATOM   2465 H HG3  . LYS   B 1 40  ? -32.63  4.777   -11.277 1   46.338 ? 52  LYS   B HG3  1 c 2 
ATOM   2466 H HD2  . LYS   B 1 40  ? -34.87  5.599   -11.842 1   52.854 ? 52  LYS   B HD2  1 c 2 
ATOM   2467 H HD3  . LYS   B 1 40  ? -34.66  6.701   -10.705 1   52.981 ? 52  LYS   B HD3  1 c 2 
ATOM   2468 H HE2  . LYS   B 1 40  ? -32.598 7.228   -11.911 1   52.743 ? 52  LYS   B HE2  1 c 2 
ATOM   2469 H HE3  . LYS   B 1 40  ? -33.254 6.461   -13.123 1   53.974 ? 52  LYS   B HE3  1 c 2 
ATOM   2470 H HZ1  . LYS   B 1 40  ? -34.297 8.703   -11.947 1   59.759 ? 52  LYS   B HZ1  1 c 2 
ATOM   2471 H HZ2  . LYS   B 1 40  ? -34.964 7.979   -13.048 1   60.89  ? 52  LYS   B HZ2  1 c 2 
ATOM   2472 H HZ3  . LYS   B 1 40  ? -33.678 8.665   -13.287 1   59.475 ? 52  LYS   B HZ3  1 c 2 
ATOM   2473 N N    . VAL   B 1 41  ? -30.951 3.875   -8.033  1   35.696 ? 53  VAL   B N    1 ? 2 
ATOM   2474 C CA   . VAL   B 1 41  ? -30.046 4.432   -7.034  1   34.422 ? 53  VAL   B CA   1 ? 2 
ATOM   2475 C C    . VAL   B 1 41  ? -29.227 5.558   -7.648  1   35.352 ? 53  VAL   B C    1 ? 2 
ATOM   2476 O O    . VAL   B 1 41  ? -28.819 5.475   -8.814  1   34.853 ? 53  VAL   B O    1 ? 2 
ATOM   2477 C CB   . VAL   B 1 41  ? -29.171 3.286   -6.508  1   36.019 ? 53  VAL   B CB   1 ? 2 
ATOM   2478 C CG1  . VAL   B 1 41  ? -28.049 3.78    -5.61   1   39.682 ? 53  VAL   B CG1  1 ? 2 
ATOM   2479 C CG2  . VAL   B 1 41  ? -30.017 2.227   -5.797  1   37.415 ? 53  VAL   B CG2  1 ? 2 
ATOM   2480 H H    . VAL   B 1 41  ? -30.589 3.44    -8.751  1   35.105 ? 53  VAL   B H    1 c 2 
ATOM   2481 H HA   . VAL   B 1 41  ? -30.574 4.789   -6.294  1   35.883 ? 53  VAL   B HA   1 c 2 
ATOM   2482 H HB   . VAL   B 1 41  ? -28.756 2.857   -7.292  1   35.508 ? 53  VAL   B HB   1 c 2 
ATOM   2483 H HG11 . VAL   B 1 41  ? -28.418 4.348   -4.913  1   39.211 ? 53  VAL   B HG11 1 c 2 
ATOM   2484 H HG12 . VAL   B 1 41  ? -27.409 4.288   -6.136  1   38.302 ? 53  VAL   B HG12 1 c 2 
ATOM   2485 H HG13 . VAL   B 1 41  ? -27.601 3.021   -5.203  1   37.394 ? 53  VAL   B HG13 1 c 2 
ATOM   2486 H HG21 . VAL   B 1 41  ? -29.436 1.536   -5.437  1   35.954 ? 53  VAL   B HG21 1 c 2 
ATOM   2487 H HG22 . VAL   B 1 41  ? -30.638 1.829   -6.429  1   37.995 ? 53  VAL   B HG22 1 c 2 
ATOM   2488 H HG23 . VAL   B 1 41  ? -30.514 2.642   -5.072  1   37.904 ? 53  VAL   B HG23 1 c 2 
ATOM   2489 N N    . TYR   B 1 42  ? -29.016 6.602   -6.84   1   34.229 ? 54  TYR   B N    1 ? 2 
ATOM   2490 C CA   . TYR   B 1 42  ? -28.224 7.769   -7.185  1   35.562 ? 54  TYR   B CA   1 ? 2 
ATOM   2491 C C    . TYR   B 1 42  ? -27.052 7.862   -6.219  1   33.906 ? 54  TYR   B C    1 ? 2 
ATOM   2492 O O    . TYR   B 1 42  ? -27.27  7.88    -5.008  1   35.644 ? 54  TYR   B O    1 ? 2 
ATOM   2493 C CB   . TYR   B 1 42  ? -29.085 9.031   -7.078  1   38.44  ? 54  TYR   B CB   1 ? 2 
ATOM   2494 C CG   . TYR   B 1 42  ? -30.342 9.044   -7.938  1   40.213 ? 54  TYR   B CG   1 ? 2 
ATOM   2495 C CD1  . TYR   B 1 42  ? -31.464 8.292   -7.599  1   40.145 ? 54  TYR   B CD1  1 ? 2 
ATOM   2496 C CD2  . TYR   B 1 42  ? -30.445 9.901   -9.035  1   41.36  ? 54  TYR   B CD2  1 ? 2 
ATOM   2497 C CE1  . TYR   B 1 42  ? -32.61  8.31    -8.385  1   42.352 ? 54  TYR   B CE1  1 ? 2 
ATOM   2498 C CE2  . TYR   B 1 42  ? -31.59  9.945   -9.813  1   45.278 ? 54  TYR   B CE2  1 ? 2 
ATOM   2499 C CZ   . TYR   B 1 42  ? -32.687 9.168   -9.462  1   46.355 ? 54  TYR   B CZ   1 ? 2 
ATOM   2500 O OH   . TYR   B 1 42  ? -33.836 9.178   -10.199 1   52.646 ? 54  TYR   B OH   1 ? 2 
ATOM   2501 H H    . TYR   B 1 42  ? -29.395 6.581   -6.008  1   34.729 ? 54  TYR   B H    1 c 2 
ATOM   2502 H HA   . TYR   B 1 42  ? -27.885 7.677   -8.114  1   34.94  ? 54  TYR   B HA   1 c 2 
ATOM   2503 H HB2  . TYR   B 1 42  ? -29.347 9.146   -6.138  1   38.755 ? 54  TYR   B HB2  1 c 2 
ATOM   2504 H HB3  . TYR   B 1 42  ? -28.529 9.804   -7.324  1   38.633 ? 54  TYR   B HB3  1 c 2 
ATOM   2505 H HD1  . TYR   B 1 42  ? -31.424 7.708   -6.858  1   39.633 ? 54  TYR   B HD1  1 c 2 
ATOM   2506 H HD2  . TYR   B 1 42  ? -29.706 10.439  -9.273  1   41.737 ? 54  TYR   B HD2  1 c 2 
ATOM   2507 H HE1  . TYR   B 1 42  ? -33.356 7.787   -8.145  1   43.275 ? 54  TYR   B HE1  1 c 2 
ATOM   2508 H HE2  . TYR   B 1 42  ? -31.637 10.519  -10.559 1   45.953 ? 54  TYR   B HE2  1 c 2 
ATOM   2509 H HH   . TYR   B 1 42  ? -34.423 8.632   -9.841  0   20     ? 54  TYR   B HH   1 c 2 
ATOM   2510 N N    . VAL   B 1 43  ? -25.833 7.924   -6.767  1   31.833 ? 55  VAL   B N    1 ? 2 
ATOM   2511 C CA   . VAL   B 1 43  ? -24.635 8.022   -5.942  1   34.003 ? 55  VAL   B CA   1 ? 2 
ATOM   2512 C C    . VAL   B 1 43  ? -23.715 9.092   -6.511  1   34.586 ? 55  VAL   B C    1 ? 2 
ATOM   2513 O O    . VAL   B 1 43  ? -23.838 9.445   -7.701  1   35.865 ? 55  VAL   B O    1 ? 2 
ATOM   2514 C CB   . VAL   B 1 43  ? -23.884 6.669   -5.862  1   30.736 ? 55  VAL   B CB   1 ? 2 
ATOM   2515 C CG1  . VAL   B 1 43  ? -24.762 5.55    -5.337  1   32.956 ? 55  VAL   B CG1  1 ? 2 
ATOM   2516 C CG2  . VAL   B 1 43  ? -23.24  6.243   -7.175  1   29.884 ? 55  VAL   B CG2  1 ? 2 
ATOM   2517 H H    . VAL   B 1 43  ? -25.743 7.904   -7.676  1   32.284 ? 55  VAL   B H    1 c 2 
ATOM   2518 H HA   . VAL   B 1 43  ? -24.899 8.287   -5.042  1   33.844 ? 55  VAL   B HA   1 c 2 
ATOM   2519 H HB   . VAL   B 1 43  ? -23.154 6.79    -5.211  1   30.775 ? 55  VAL   B HB   1 c 2 
ATOM   2520 H HG11 . VAL   B 1 43  ? -25.486 5.385   -5.963  1   32.734 ? 55  VAL   B HG11 1 c 2 
ATOM   2521 H HG12 . VAL   B 1 43  ? -25.133 5.805   -4.475  1   32.819 ? 55  VAL   B HG12 1 c 2 
ATOM   2522 H HG13 . VAL   B 1 43  ? -24.232 4.742   -5.234  1   31.123 ? 55  VAL   B HG13 1 c 2 
ATOM   2523 H HG21 . VAL   B 1 43  ? -22.838 5.367   -7.067  1   28.904 ? 55  VAL   B HG21 1 c 2 
ATOM   2524 H HG22 . VAL   B 1 43  ? -22.553 6.883   -7.425  1   30.139 ? 55  VAL   B HG22 1 c 2 
ATOM   2525 H HG23 . VAL   B 1 43  ? -23.916 6.205   -7.872  1   30.609 ? 55  VAL   B HG23 1 c 2 
ATOM   2526 N N    . HIS   B 1 44  ? -22.811 9.596   -5.658  1   34.886 ? 56  HIS   B N    1 ? 2 
ATOM   2527 C CA   . HIS   B 1 44  ? -21.536 10.118  -6.13   1   35.954 ? 56  HIS   B CA   1 ? 2 
ATOM   2528 C C    . HIS   B 1 44  ? -20.473 9.115   -5.717  1   33.257 ? 56  HIS   B C    1 ? 2 
ATOM   2529 O O    . HIS   B 1 44  ? -20.61  8.448   -4.715  1   32.915 ? 56  HIS   B O    1 ? 2 
ATOM   2530 C CB   . HIS   B 1 44  ? -21.253 11.544  -5.622  1   37.741 ? 56  HIS   B CB   1 ? 2 
ATOM   2531 C CG   . HIS   B 1 44  ? -21.787 12.579  -6.55   1   40.594 ? 56  HIS   B CG   1 ? 2 
ATOM   2532 N ND1  . HIS   B 1 44  ? -21.35  12.665  -7.865  1   42.857 ? 56  HIS   B ND1  1 ? 2 
ATOM   2533 C CD2  . HIS   B 1 44  ? -22.71  13.537  -6.392  1   42.955 ? 56  HIS   B CD2  1 ? 2 
ATOM   2534 C CE1  . HIS   B 1 44  ? -21.955 13.698  -8.455  1   44.257 ? 56  HIS   B CE1  1 ? 2 
ATOM   2535 N NE2  . HIS   B 1 44  ? -22.797 14.241  -7.575  1   45.636 ? 56  HIS   B NE2  1 ? 2 
ATOM   2536 H H    . HIS   B 1 44  ? -22.994 9.615   -4.763  1   34.879 ? 56  HIS   B H    1 c 2 
ATOM   2537 H HA   . HIS   B 1 44  ? -21.566 10.139  -7.117  1   35.794 ? 56  HIS   B HA   1 c 2 
ATOM   2538 H HB2  . HIS   B 1 44  ? -21.668 11.656  -4.739  1   38.287 ? 56  HIS   B HB2  1 c 2 
ATOM   2539 H HB3  . HIS   B 1 44  ? -20.283 11.663  -5.529  1   37.906 ? 56  HIS   B HB3  1 c 2 
ATOM   2540 H HD1  . HIS   B 1 44  ? -20.755 12.14   -8.209  0   20     ? 56  HIS   B HD1  1 c 2 
ATOM   2541 H HD2  . HIS   B 1 44  ? -23.182 13.732  -5.607  1   43.293 ? 56  HIS   B HD2  1 c 2 
ATOM   2542 H HE1  . HIS   B 1 44  ? -21.838 13.969  -9.349  1   44.499 ? 56  HIS   B HE1  1 c 2 
ATOM   2543 H HE2  . HIS   B 1 44  ? -23.365 14.882  -7.733  0   20     ? 56  HIS   B HE2  1 c 2 
ATOM   2544 N N    . TYR   B 1 45  ? -19.405 9.002   -6.507  1   34.712 ? 57  TYR   B N    1 ? 2 
ATOM   2545 C CA   . TYR   B 1 45  ? -18.352 8.056   -6.182  1   30.346 ? 57  TYR   B CA   1 ? 2 
ATOM   2546 C C    . TYR   B 1 45  ? -17.021 8.594   -6.706  1   31.928 ? 57  TYR   B C    1 ? 2 
ATOM   2547 O O    . TYR   B 1 45  ? -16.98  9.367   -7.691  1   33.872 ? 57  TYR   B O    1 ? 2 
ATOM   2548 C CB   . TYR   B 1 45  ? -18.66  6.646   -6.729  1   28.205 ? 57  TYR   B CB   1 ? 2 
ATOM   2549 C CG   . TYR   B 1 45  ? -18.417 6.538   -8.244  1   29.378 ? 57  TYR   B CG   1 ? 2 
ATOM   2550 C CD1  . TYR   B 1 45  ? -17.164 6.238   -8.742  1   29.18  ? 57  TYR   B CD1  1 ? 2 
ATOM   2551 C CD2  . TYR   B 1 45  ? -19.407 6.829   -9.152  1   29.668 ? 57  TYR   B CD2  1 ? 2 
ATOM   2552 C CE1  . TYR   B 1 45  ? -16.904 6.187   -10.098 1   32.52  ? 57  TYR   B CE1  1 ? 2 
ATOM   2553 C CE2  . TYR   B 1 45  ? -19.164 6.757   -10.526 1   31.483 ? 57  TYR   B CE2  1 ? 2 
ATOM   2554 C CZ   . TYR   B 1 45  ? -17.91  6.46    -10.993 1   29.218 ? 57  TYR   B CZ   1 ? 2 
ATOM   2555 O OH   . TYR   B 1 45  ? -17.627 6.41    -12.35  1   32.869 ? 57  TYR   B OH   1 ? 2 
ATOM   2556 H H    . TYR   B 1 45  ? -19.329 9.52    -7.257  1   34.979 ? 57  TYR   B H    1 c 2 
ATOM   2557 H HA   . TYR   B 1 45  ? -18.291 7.997   -5.195  1   30.525 ? 57  TYR   B HA   1 c 2 
ATOM   2558 H HB2  . TYR   B 1 45  ? -18.09  5.994   -6.263  1   27.862 ? 57  TYR   B HB2  1 c 2 
ATOM   2559 H HB3  . TYR   B 1 45  ? -19.599 6.43    -6.537  1   28.348 ? 57  TYR   B HB3  1 c 2 
ATOM   2560 H HD1  . TYR   B 1 45  ? -16.461 6.062   -8.136  1   29.354 ? 57  TYR   B HD1  1 c 2 
ATOM   2561 H HD2  . TYR   B 1 45  ? -20.272 7.046   -8.845  1   30.398 ? 57  TYR   B HD2  1 c 2 
ATOM   2562 H HE1  . TYR   B 1 45  ? -16.042 5.971   -10.406 1   30.803 ? 57  TYR   B HE1  1 c 2 
ATOM   2563 H HE2  . TYR   B 1 45  ? -19.855 6.955   -11.135 1   31.341 ? 57  TYR   B HE2  1 c 2 
ATOM   2564 H HH   . TYR   B 1 45  ? -16.77  6.2     -12.443 0   20     ? 57  TYR   B HH   1 c 2 
ATOM   2565 N N    . LYS   B 1 46  ? -15.954 8.126   -6.052  1   32.124 ? 58  LYS   B N    1 ? 2 
ATOM   2566 C CA   . LYS   B 1 46  ? -14.601 8.177   -6.58   1   34.906 ? 58  LYS   B CA   1 ? 2 
ATOM   2567 C C    . LYS   B 1 46  ? -14.08  6.742   -6.519  1   33.765 ? 58  LYS   B C    1 ? 2 
ATOM   2568 O O    . LYS   B 1 46  ? -14.234 6.065   -5.509  1   34.148 ? 58  LYS   B O    1 ? 2 
ATOM   2569 C CB   . LYS   B 1 46  ? -13.681 9.128   -5.774  1   35.512 ? 58  LYS   B CB   1 ? 2 
ATOM   2570 H H    . LYS   B 1 46  ? -16.078 7.758   -5.225  1   31.631 ? 58  LYS   B H    1 c 2 
ATOM   2571 H HA   . LYS   B 1 46  ? -14.638 8.473   -7.523  1   34.944 ? 58  LYS   B HA   1 c 2 
ATOM   2572 H HB2  . LYS   B 1 46  ? -12.779 8.925   -5.918  0   20     ? 58  LYS   B HB2  1 c 2 
ATOM   2573 H HB3  . LYS   B 1 46  ? -14.307 9.731   -5.233  0   20     ? 58  LYS   B HB3  1 c 2 
ATOM   2574 N N    . GLY   B 1 47  ? -13.448 6.29    -7.608  1   33.382 ? 59  GLY   B N    1 ? 2 
ATOM   2575 C CA   . GLY   B 1 47  ? -12.909 4.945   -7.701  1   32.237 ? 59  GLY   B CA   1 ? 2 
ATOM   2576 C C    . GLY   B 1 47  ? -11.511 4.954   -8.278  1   32.34  ? 59  GLY   B C    1 ? 2 
ATOM   2577 O O    . GLY   B 1 47  ? -11.204 5.787   -9.139  1   39.475 ? 59  GLY   B O    1 ? 2 
ATOM   2578 H H    . GLY   B 1 47  ? -13.349 6.848   -8.325  1   33.925 ? 59  GLY   B H    1 c 2 
ATOM   2579 H HA2  . GLY   B 1 47  ? -12.895 4.539   -6.806  1   31.029 ? 59  GLY   B HA2  1 c 2 
ATOM   2580 H HA3  . GLY   B 1 47  ? -13.499 4.4     -8.274  1   31.386 ? 59  GLY   B HA3  1 c 2 
ATOM   2581 N N    . LYS   B 1 48  ? -10.697 3.991   -7.853  1   29.785 ? 60  LYS   B N    1 ? 2 
ATOM   2582 C CA   . LYS   B 1 48  ? -9.298  3.911   -8.242  1   31.725 ? 60  LYS   B CA   1 ? 2 
ATOM   2583 C C    . LYS   B 1 48  ? -8.904  2.432   -8.239  1   33.238 ? 60  LYS   B C    1 ? 2 
ATOM   2584 O O    . LYS   B 1 48  ? -9.502  1.625   -7.502  1   30.637 ? 60  LYS   B O    1 ? 2 
ATOM   2585 C CB   . LYS   B 1 48  ? -8.41   4.669   -7.227  1   35.328 ? 60  LYS   B CB   1 ? 2 
ATOM   2586 H H    . LYS   B 1 48  ? -11.028 3.352   -7.29   1   29.503 ? 60  LYS   B H    1 c 2 
ATOM   2587 H HA   . LYS   B 1 48  ? -9.188  4.283   -9.154  1   32.041 ? 60  LYS   B HA   1 c 2 
ATOM   2588 H HB2  . LYS   B 1 48  ? -7.463  4.524   -7.549  0   20     ? 60  LYS   B HB2  1 c 2 
ATOM   2589 H HB3  . LYS   B 1 48  ? -8.971  5.226   -6.719  0   20     ? 60  LYS   B HB3  1 c 2 
ATOM   2590 N N    . LEU   B 1 49  ? -7.889  2.086   -9.037  1   30.995 ? 61  LEU   B N    1 ? 2 
ATOM   2591 C CA   . LEU   B 1 49  ? -7.151  0.853   -8.812  1   31.119 ? 61  LEU   B CA   1 ? 2 
ATOM   2592 C C    . LEU   B 1 49  ? -6.515  0.975   -7.428  1   31.971 ? 61  LEU   B C    1 ? 2 
ATOM   2593 O O    . LEU   B 1 49  ? -6.089  2.06    -7.101  1   36.667 ? 61  LEU   B O    1 ? 2 
ATOM   2594 C CB   . LEU   B 1 49  ? -6.119  0.651   -9.926  1   33.469 ? 61  LEU   B CB   1 ? 2 
ATOM   2595 C CG   . LEU   B 1 49  ? -6.68   0.7     -11.36  1   34.486 ? 61  LEU   B CG   1 ? 2 
ATOM   2596 C CD1  . LEU   B 1 49  ? -5.602  0.436   -12.392 1   36.099 ? 61  LEU   B CD1  1 ? 2 
ATOM   2597 C CD2  . LEU   B 1 49  ? -7.805  -0.256  -11.602 1   31.45  ? 61  LEU   B CD2  1 ? 2 
ATOM   2598 H H    . LEU   B 1 49  ? -7.642  2.638   -9.722  1   32.438 ? 61  LEU   B H    1 c 2 
ATOM   2599 H HA   . LEU   B 1 49  ? -7.789  0.095   -8.81   1   30.214 ? 61  LEU   B HA   1 c 2 
ATOM   2600 H HB2  . LEU   B 1 49  ? -5.428  1.347   -9.837  1   34.633 ? 61  LEU   B HB2  1 c 2 
ATOM   2601 H HB3  . LEU   B 1 49  ? -5.687  -0.224  -9.79   1   33.214 ? 61  LEU   B HB3  1 c 2 
ATOM   2602 H HG   . LEU   B 1 49  ? -7.025  1.615   -11.521 1   34.383 ? 61  LEU   B HG   1 c 2 
ATOM   2603 H HD11 . LEU   B 1 49  ? -4.893  1.094   -12.297 1   37.193 ? 61  LEU   B HD11 1 c 2 
ATOM   2604 H HD12 . LEU   B 1 49  ? -5.984  0.5     -13.284 1   36.309 ? 61  LEU   B HD12 1 c 2 
ATOM   2605 H HD13 . LEU   B 1 49  ? -5.237  -0.455  -12.261 1   35.757 ? 61  LEU   B HD13 1 c 2 
ATOM   2606 H HD21 . LEU   B 1 49  ? -8.56   -0.021  -11.037 1   30.838 ? 61  LEU   B HD21 1 c 2 
ATOM   2607 H HD22 . LEU   B 1 49  ? -7.515  -1.16   -11.393 1   31.46  ? 61  LEU   B HD22 1 c 2 
ATOM   2608 H HD23 . LEU   B 1 49  ? -8.075  -0.211  -12.535 1   31.961 ? 61  LEU   B HD23 1 c 2 
ATOM   2609 N N    . SER   B 1 50  ? -6.466  -0.104  -6.64   1   32.225 ? 62  SER   B N    1 ? 2 
ATOM   2610 C CA   . SER   B 1 50  ? -6.051  0.017   -5.241  1   34.838 ? 62  SER   B CA   1 ? 2 
ATOM   2611 C C    . SER   B 1 50  ? -4.638  0.571   -5.112  1   39.604 ? 62  SER   B C    1 ? 2 
ATOM   2612 O O    . SER   B 1 50  ? -4.287  1.103   -4.063  1   40.194 ? 62  SER   B O    1 ? 2 
ATOM   2613 C CB   . SER   B 1 50  ? -6.124  -1.309  -4.496  1   35.907 ? 62  SER   B CB   1 ? 2 
ATOM   2614 O OG   . SER   B 1 50  ? -5.243  -2.234  -5.101  1   42.121 ? 62  SER   B OG   1 ? 2 
ATOM   2615 H H    . SER   B 1 50  ? -6.691  -0.926  -6.971  1   31.78  ? 62  SER   B H    1 c 2 
ATOM   2616 H HA   . SER   B 1 50  ? -6.668  0.653   -4.798  1   34.948 ? 62  SER   B HA   1 c 2 
ATOM   2617 H HB2  . SER   B 1 50  ? -5.873  -1.176  -3.563  1   36.585 ? 62  SER   B HB2  1 c 2 
ATOM   2618 H HB3  . SER   B 1 50  ? -7.036  -1.653  -4.529  1   35.03  ? 62  SER   B HB3  1 c 2 
ATOM   2619 H HG   . SER   B 1 50  ? -5.273  -2.982  -4.687  0   20     ? 62  SER   B HG   1 c 2 
ATOM   2620 N N    . ASN   B 1 51  ? -3.798  0.322   -6.119  1   38.38  ? 63  ASN   B N    1 ? 2 
ATOM   2621 C CA   . ASN   B 1 51  ? -2.409  0.763   -6.151  1   45.974 ? 63  ASN   B CA   1 ? 2 
ATOM   2622 C C    . ASN   B 1 51  ? -2.259  2.133   -6.804  1   50.259 ? 63  ASN   B C    1 ? 2 
ATOM   2623 O O    . ASN   B 1 51  ? -1.241  2.809   -6.595  1   59.393 ? 63  ASN   B O    1 ? 2 
ATOM   2624 C CB   . ASN   B 1 51  ? -1.532  -0.222  -6.928  1   49.647 ? 63  ASN   B CB   1 ? 2 
ATOM   2625 C CG   . ASN   B 1 51  ? -2.099  -0.544  -8.295  1   50.792 ? 63  ASN   B CG   1 ? 2 
ATOM   2626 O OD1  . ASN   B 1 51  ? -3.28   -0.282  -8.567  1   53.815 ? 63  ASN   B OD1  1 ? 2 
ATOM   2627 N ND2  . ASN   B 1 51  ? -1.307  -1.154  -9.162  1   51.039 ? 63  ASN   B ND2  1 ? 2 
ATOM   2628 H H    . ASN   B 1 51  ? -4.106  -0.173  -6.823  1   38.804 ? 63  ASN   B H    1 c 2 
ATOM   2629 H HA   . ASN   B 1 51  ? -2.069  0.808   -5.229  1   46.009 ? 63  ASN   B HA   1 c 2 
ATOM   2630 H HB2  . ASN   B 1 51  ? -0.637  0.159   -7.034  1   50.749 ? 63  ASN   B HB2  1 c 2 
ATOM   2631 H HB3  . ASN   B 1 51  ? -1.448  -1.05   -6.414  1   48.835 ? 63  ASN   B HB3  1 c 2 
ATOM   2632 H HD21 . ASN   B 1 51  ? -1.611  -1.359  -9.97   1   50.913 ? 63  ASN   B HD21 1 c 2 
ATOM   2633 H HD22 . ASN   B 1 51  ? -0.474  -1.357  -8.935  1   52.123 ? 63  ASN   B HD22 1 c 2 
ATOM   2634 N N    . GLY   B 1 52  ? -3.203  2.493   -7.68   1   49.483 ? 64  GLY   B N    1 ? 2 
ATOM   2635 C CA   . GLY   B 1 52  ? -3.105  3.728   -8.448  1   48.326 ? 64  GLY   B CA   1 ? 2 
ATOM   2636 C C    . GLY   B 1 52  ? -3.212  4.961   -7.542  1   47.769 ? 64  GLY   B C    1 ? 2 
ATOM   2637 O O    . GLY   B 1 52  ? -3.365  4.853   -6.319  1   46.623 ? 64  GLY   B O    1 ? 2 
ATOM   2638 H H    . GLY   B 1 52  ? -3.925  1.95    -7.815  1   47.479 ? 64  GLY   B H    1 c 2 
ATOM   2639 H HA2  . GLY   B 1 52  ? -2.244  3.744   -8.927  1   49.911 ? 64  GLY   B HA2  1 c 2 
ATOM   2640 H HA3  . GLY   B 1 52  ? -3.828  3.749   -9.12   1   47.957 ? 64  GLY   B HA3  1 c 2 
ATOM   2641 N N    . LYS   B 1 53  ? -3.121  6.137   -8.168  1   51.763 ? 65  LYS   B N    1 ? 2 
ATOM   2642 C CA   . LYS   B 1 53  ? -3.257  7.41    -7.467  1   54.234 ? 65  LYS   B CA   1 ? 2 
ATOM   2643 C C    . LYS   B 1 53  ? -4.493  8.145   -7.995  1   52.283 ? 65  LYS   B C    1 ? 2 
ATOM   2644 O O    . LYS   B 1 53  ? -5.275  8.664   -7.193  1   51.459 ? 65  LYS   B O    1 ? 2 
ATOM   2645 C CB   . LYS   B 1 53  ? -1.94   8.201   -7.551  1   54.949 ? 65  LYS   B CB   1 ? 2 
ATOM   2646 H H    . LYS   B 1 53  ? -2.95   6.146   -9.065  1   52.178 ? 65  LYS   B H    1 c 2 
ATOM   2647 H HA   . LYS   B 1 53  ? -3.415  7.215   -6.509  1   52.793 ? 65  LYS   B HA   1 c 2 
ATOM   2648 H HB2  . LYS   B 1 53  ? -1.205  7.561   -7.539  0   20     ? 65  LYS   B HB2  1 c 2 
ATOM   2649 H HB3  . LYS   B 1 53  ? -2.17   9.134   -7.758  0   20     ? 65  LYS   B HB3  1 c 2 
ATOM   2650 N N    . LYS   B 1 54  ? -4.69   8.137   -9.325  1   50.413 ? 66  LYS   B N    1 ? 2 
ATOM   2651 C CA   . LYS   B 1 54  ? -5.74   8.896   -9.987  1   47.315 ? 66  LYS   B CA   1 ? 2 
ATOM   2652 C C    . LYS   B 1 54  ? -7.088  8.176   -9.845  1   42.379 ? 66  LYS   B C    1 ? 2 
ATOM   2653 O O    . LYS   B 1 54  ? -7.203  6.957   -10.008 1   42.162 ? 66  LYS   B O    1 ? 2 
ATOM   2654 C CB   . LYS   B 1 54  ? -5.361  9.113   -11.465 1   50.338 ? 66  LYS   B CB   1 ? 2 
ATOM   2655 H H    . LYS   B 1 54  ? -4.131  7.636   -9.846  1   50.597 ? 66  LYS   B H    1 c 2 
ATOM   2656 H HA   . LYS   B 1 54  ? -5.805  9.781   -9.547  1   48.824 ? 66  LYS   B HA   1 c 2 
ATOM   2657 H HB2  . LYS   B 1 54  ? -4.463  9.127   -11.612 0   20     ? 66  LYS   B HB2  1 c 2 
ATOM   2658 H HB3  . LYS   B 1 54  ? -6.28   9.18    -11.995 0   20     ? 66  LYS   B HB3  1 c 2 
ATOM   2659 N N    . PHE   B 1 55  ? -8.133  8.98    -9.641  1   40.488 ? 67  PHE   B N    1 ? 2 
ATOM   2660 C CA   . PHE   B 1 55  ? -9.491  8.513   -9.513  1   40.171 ? 67  PHE   B CA   1 ? 2 
ATOM   2661 C C    . PHE   B 1 55  ? -10.296 8.723   -10.794 1   41.296 ? 67  PHE   B C    1 ? 2 
ATOM   2662 O O    . PHE   B 1 55  ? -10.115 9.72    -11.497 1   43.434 ? 67  PHE   B O    1 ? 2 
ATOM   2663 C CB   . PHE   B 1 55  ? -10.179 9.34    -8.426  1   41.823 ? 67  PHE   B CB   1 ? 2 
ATOM   2664 C CG   . PHE   B 1 55  ? -9.896  8.821   -7.024  1   39.776 ? 67  PHE   B CG   1 ? 2 
ATOM   2665 C CD1  . PHE   B 1 55  ? -10.588 7.728   -6.507  1   40.138 ? 67  PHE   B CD1  1 ? 2 
ATOM   2666 C CD2  . PHE   B 1 55  ? -8.909  9.407   -6.24   1   43.967 ? 67  PHE   B CD2  1 ? 2 
ATOM   2667 C CE1  . PHE   B 1 55  ? -10.31  7.255   -5.218  1   39.524 ? 67  PHE   B CE1  1 ? 2 
ATOM   2668 C CE2  . PHE   B 1 55  ? -8.66   8.944   -4.954  1   41.749 ? 67  PHE   B CE2  1 ? 2 
ATOM   2669 C CZ   . PHE   B 1 55  ? -9.322  7.84    -4.472  1   39.96  ? 67  PHE   B CZ   1 ? 2 
ATOM   2670 H H    . PHE   B 1 55  ? -7.982  9.88    -9.587  1   42.323 ? 67  PHE   B H    1 c 2 
ATOM   2671 H HA   . PHE   B 1 55  ? -9.496  7.554   -9.259  1   38.964 ? 67  PHE   B HA   1 c 2 
ATOM   2672 H HB2  . PHE   B 1 55  ? -9.872  10.271  -8.492  1   42.993 ? 67  PHE   B HB2  1 c 2 
ATOM   2673 H HB3  . PHE   B 1 55  ? -11.15  9.325   -8.582  1   40.551 ? 67  PHE   B HB3  1 c 2 
ATOM   2674 H HD1  . PHE   B 1 55  ? -11.253 7.31    -7.027  1   38.836 ? 67  PHE   B HD1  1 c 2 
ATOM   2675 H HD2  . PHE   B 1 55  ? -8.432  10.151  -6.571  1   44.551 ? 67  PHE   B HD2  1 c 2 
ATOM   2676 H HE1  . PHE   B 1 55  ? -10.778 6.508   -4.88   1   38.185 ? 67  PHE   B HE1  1 c 2 
ATOM   2677 H HE2  . PHE   B 1 55  ? -7.977  9.341   -4.441  1   43.054 ? 67  PHE   B HE2  1 c 2 
ATOM   2678 H HZ   . PHE   B 1 55  ? -9.138  7.521   -3.611  1   39.986 ? 67  PHE   B HZ   1 c 2 
ATOM   2679 N N    . ASP   B 1 56  ? -11.246 7.813   -11.007 1   38.772 ? 68  ASP   B N    1 ? 2 
ATOM   2680 C CA   . ASP   B 1 56  ? -12.44  8.091   -11.785 1   36.546 ? 68  ASP   B CA   1 ? 2 
ATOM   2681 C C    . ASP   B 1 56  ? -13.462 8.636   -10.81  1   36.969 ? 68  ASP   B C    1 ? 2 
ATOM   2682 O O    . ASP   B 1 56  ? -13.677 8.056   -9.744  1   38.18  ? 68  ASP   B O    1 ? 2 
ATOM   2683 C CB   . ASP   B 1 56  ? -13.026 6.846   -12.425 1   37.348 ? 68  ASP   B CB   1 ? 2 
ATOM   2684 C CG   . ASP   B 1 56  ? -14.416 7.002   -13.02  1   36.255 ? 68  ASP   B CG   1 ? 2 
ATOM   2685 O OD1  . ASP   B 1 56  ? -14.605 7.983   -13.768 1   41.407 ? 68  ASP   B OD1  1 ? 2 
ATOM   2686 O OD2  . ASP   B 1 56  ? -15.29  6.119   -12.755 1   38.803 ? 68  ASP   B OD2  1 ? 2 
ATOM   2687 H H    . ASP   B 1 56  ? -11.143 6.976   -10.654 1   37.4   ? 68  ASP   B H    1 c 2 
ATOM   2688 H HA   . ASP   B 1 56  ? -12.234 8.768   -12.469 1   38.281 ? 68  ASP   B HA   1 c 2 
ATOM   2689 H HB2  . ASP   B 1 56  ? -12.423 6.55    -13.139 1   37.052 ? 68  ASP   B HB2  1 c 2 
ATOM   2690 H HB3  . ASP   B 1 56  ? -13.063 6.136   -11.751 1   35.704 ? 68  ASP   B HB3  1 c 2 
ATOM   2691 N N    . SER   B 1 57  ? -14.157 9.696   -11.205 1   40.676 ? 69  SER   B N    1 ? 2 
ATOM   2692 C CA   . SER   B 1 57  ? -15.088 10.309  -10.274 1   42.073 ? 69  SER   B CA   1 ? 2 
ATOM   2693 C C    . SER   B 1 57  ? -16.323 10.782  -11.024 1   42.857 ? 69  SER   B C    1 ? 2 
ATOM   2694 O O    . SER   B 1 57  ? -16.205 11.315  -12.134 1   47.957 ? 69  SER   B O    1 ? 2 
ATOM   2695 C CB   . SER   B 1 57  ? -14.427 11.432  -9.527  1   45.89  ? 69  SER   B CB   1 ? 2 
ATOM   2696 O OG   . SER   B 1 57  ? -15.361 12.121  -8.701  1   50.359 ? 69  SER   B OG   1 ? 2 
ATOM   2697 H H    . SER   B 1 57  ? -14.058 10.041  -12.046 1   41.151 ? 69  SER   B H    1 c 2 
ATOM   2698 H HA   . SER   B 1 57  ? -15.369 9.623   -9.62   1   40.742 ? 69  SER   B HA   1 c 2 
ATOM   2699 H HB2  . SER   B 1 57  ? -13.708 11.073  -8.974  1   45.578 ? 69  SER   B HB2  1 c 2 
ATOM   2700 H HB3  . SER   B 1 57  ? -14.037 12.058  -10.166 1   47.259 ? 69  SER   B HB3  1 c 2 
ATOM   2701 H HG   . SER   B 1 57  ? -14.983 12.781  -8.331  0   20     ? 69  SER   B HG   1 c 2 
ATOM   2702 N N    . SER   B 1 58  ? -17.483 10.595  -10.379 1   38.138 ? 70  SER   B N    1 ? 2 
ATOM   2703 C CA   . SER   B 1 58  ? -18.734 11.136  -10.876 1   39.681 ? 70  SER   B CA   1 ? 2 
ATOM   2704 C C    . SER   B 1 58  ? -18.671 12.665  -10.887 1   41.873 ? 70  SER   B C    1 ? 2 
ATOM   2705 O O    . SER   B 1 58  ? -19.308 13.327  -11.708 1   45.623 ? 70  SER   B O    1 ? 2 
ATOM   2706 C CB   . SER   B 1 58  ? -19.873 10.601  -10.075 1   38.795 ? 70  SER   B CB   1 ? 2 
ATOM   2707 O OG   . SER   B 1 58  ? -19.586 10.797  -8.699  1   40.646 ? 70  SER   B OG   1 ? 2 
ATOM   2708 H H    . SER   B 1 58  ? -17.492 10.114  -9.601  1   37.748 ? 70  SER   B H    1 c 2 
ATOM   2709 H HA   . SER   B 1 58  ? -18.846 10.829  -11.812 1   39.55  ? 70  SER   B HA   1 c 2 
ATOM   2710 H HB2  . SER   B 1 58  ? -20.695 11.07   -10.313 1   40.137 ? 70  SER   B HB2  1 c 2 
ATOM   2711 H HB3  . SER   B 1 58  ? -19.987 9.649   -10.257 1   37.982 ? 70  SER   B HB3  1 c 2 
ATOM   2712 H HG   . SER   B 1 58  ? -20.234 10.486  -8.237  0   20     ? 70  SER   B HG   1 c 2 
ATOM   2713 N N    . HIS   B 1 59  ? -17.874 13.233  -9.989  1   44.18  ? 71  HIS   B N    1 ? 2 
ATOM   2714 C CA   . HIS   B 1 59  ? -17.724 14.679  -9.909  1   49.213 ? 71  HIS   B CA   1 ? 2 
ATOM   2715 C C    . HIS   B 1 59  ? -16.992 15.178  -11.147 1   54.12  ? 71  HIS   B C    1 ? 2 
ATOM   2716 O O    . HIS   B 1 59  ? -17.186 16.332  -11.522 1   59.053 ? 71  HIS   B O    1 ? 2 
ATOM   2717 C CB   . HIS   B 1 59  ? -17.085 15.105  -8.58   1   49.854 ? 71  HIS   B CB   1 ? 2 
ATOM   2718 C CG   . HIS   B 1 59  ? -17.971 14.879  -7.389  1   50.293 ? 71  HIS   B CG   1 ? 2 
ATOM   2719 N ND1  . HIS   B 1 59  ? -19.227 15.455  -7.309  1   51.271 ? 71  HIS   B ND1  1 ? 2 
ATOM   2720 C CD2  . HIS   B 1 59  ? -17.799 14.218  -6.217  1   51.46  ? 71  HIS   B CD2  1 ? 2 
ATOM   2721 C CE1  . HIS   B 1 59  ? -19.805 15.11   -6.159  1   49.623 ? 71  HIS   B CE1  1 ? 2 
ATOM   2722 N NE2  . HIS   B 1 59  ? -18.961 14.368  -5.474  1   50.394 ? 71  HIS   B NE2  1 ? 2 
ATOM   2723 H H    . HIS   B 1 59  ? -17.42  12.712  -9.392  1   43.289 ? 71  HIS   B H    1 c 2 
ATOM   2724 H HA   . HIS   B 1 59  ? -18.636 15.062  -9.927  1   49.876 ? 71  HIS   B HA   1 c 2 
ATOM   2725 H HB2  . HIS   B 1 59  ? -16.25  14.603  -8.456  1   49.126 ? 71  HIS   B HB2  1 c 2 
ATOM   2726 H HB3  . HIS   B 1 59  ? -16.857 16.059  -8.631  1   51.957 ? 71  HIS   B HB3  1 c 2 
ATOM   2727 H HD1  . HIS   B 1 59  ? -19.557 16.065  -7.855  0   20     ? 71  HIS   B HD1  1 c 2 
ATOM   2728 H HD2  . HIS   B 1 59  ? -17.045 13.724  -5.959  1   49.865 ? 71  HIS   B HD2  1 c 2 
ATOM   2729 H HE1  . HIS   B 1 59  ? -20.664 15.374  -5.877  1   50.58  ? 71  HIS   B HE1  1 c 2 
ATOM   2730 H HE2  . HIS   B 1 59  ? -19.078 13.945  -4.733  0   20     ? 71  HIS   B HE2  1 c 2 
ATOM   2731 N N    . ASP   B 1 60  ? -16.204 14.293  -11.793 1   56.747 ? 72  ASP   B N    1 ? 2 
ATOM   2732 C CA   . ASP   B 1 60  ? -15.554 14.632  -13.065 1   61.647 ? 72  ASP   B CA   1 ? 2 
ATOM   2733 C C    . ASP   B 1 60  ? -16.589 14.896  -14.156 1   62.497 ? 72  ASP   B C    1 ? 2 
ATOM   2734 O O    . ASP   B 1 60  ? -16.287 15.582  -15.133 1   69.604 ? 72  ASP   B O    1 ? 2 
ATOM   2735 C CB   . ASP   B 1 60  ? -14.66  13.546  -13.663 1   63.107 ? 72  ASP   B CB   1 ? 2 
ATOM   2736 C CG   . ASP   B 1 60  ? -13.453 13.068  -12.862 1   63.665 ? 72  ASP   B CG   1 ? 2 
ATOM   2737 O OD1  . ASP   B 1 60  ? -12.848 13.919  -12.153 1   68.46  ? 72  ASP   B OD1  1 ? 2 
ATOM   2738 O OD2  . ASP   B 1 60  ? -13.109 11.849  -12.991 1   54.482 ? 72  ASP   B OD2  1 ? 2 
ATOM   2739 H H    . ASP   B 1 60  ? -16.049 13.471  -11.427 1   54.449 ? 72  ASP   B H    1 c 2 
ATOM   2740 H HA   . ASP   B 1 60  ? -15.017 15.446  -12.933 1   62.96  ? 72  ASP   B HA   1 c 2 
ATOM   2741 H HB2  . ASP   B 1 60  ? -15.214 12.763  -13.863 1   61.444 ? 72  ASP   B HB2  1 c 2 
ATOM   2742 H HB3  . ASP   B 1 60  ? -14.317 13.88   -14.518 1   63.878 ? 72  ASP   B HB3  1 c 2 
ATOM   2743 N N    . ARG   B 1 61  ? -17.791 14.317  -14.023 1   60.032 ? 73  ARG   B N    1 ? 2 
ATOM   2744 C CA   . ARG   B 1 61  ? -18.813 14.469  -15.046 1   58.822 ? 73  ARG   B CA   1 ? 2 
ATOM   2745 C C    . ARG   B 1 61  ? -19.915 15.39   -14.51  1   59.809 ? 73  ARG   B C    1 ? 2 
ATOM   2746 O O    . ARG   B 1 61  ? -20.937 15.578  -15.171 1   63.463 ? 73  ARG   B O    1 ? 2 
ATOM   2747 C CB   . ARG   B 1 61  ? -19.235 13.059  -15.486 1   54.909 ? 73  ARG   B CB   1 ? 2 
ATOM   2748 H H    . ARG   B 1 61  ? -17.967 13.792  -13.297 1   58.585 ? 73  ARG   B H    1 c 2 
ATOM   2749 H HA   . ARG   B 1 61  ? -18.404 14.912  -15.831 1   59.88  ? 73  ARG   B HA   1 c 2 
ATOM   2750 H HB2  . ARG   B 1 61  ? -18.689 12.502  -15.664 0   20     ? 73  ARG   B HB2  1 c 2 
ATOM   2751 H HB3  . ARG   B 1 61  ? -20.422 13.144  -15.462 0   20     ? 73  ARG   B HB3  1 c 2 
ATOM   2752 N N    . ASN   B 1 62  ? -19.713 15.928  -13.286 1   56.746 ? 74  ASN   B N    1 ? 2 
ATOM   2753 C CA   . ASN   B 1 62  ? -20.584 16.953  -12.714 1   56.415 ? 74  ASN   B CA   1 ? 2 
ATOM   2754 C C    . ASN   B 1 62  ? -22.039 16.456  -12.685 1   55.777 ? 74  ASN   B C    1 ? 2 
ATOM   2755 O O    . ASN   B 1 62  ? -22.965 17.248  -12.82  1   58.107 ? 74  ASN   B O    1 ? 2 
ATOM   2756 C CB   . ASN   B 1 62  ? -20.412 18.3    -13.426 1   56.193 ? 74  ASN   B CB   1 ? 2 
ATOM   2757 H H    . ASN   B 1 62  ? -19.006 15.64   -12.786 1   56.001 ? 74  ASN   B H    1 c 2 
ATOM   2758 H HA   . ASN   B 1 62  ? -20.303 17.088  -11.781 1   55.867 ? 74  ASN   B HA   1 c 2 
ATOM   2759 H HB2  . ASN   B 1 62  ? -19.423 18.458  -13.424 0   20     ? 74  ASN   B HB2  1 c 2 
ATOM   2760 H HB3  . ASN   B 1 62  ? -21.254 18.676  -13.534 0   20     ? 74  ASN   B HB3  1 c 2 
ATOM   2761 N N    . GLU   B 1 63  ? -22.245 15.145  -12.48  1   54.478 ? 75  GLU   B N    1 ? 2 
ATOM   2762 C CA   . GLU   B 1 63  ? -23.587 14.607  -12.314 1   55.061 ? 75  GLU   B CA   1 ? 2 
ATOM   2763 C C    . GLU   B 1 63  ? -23.524 13.331  -11.478 1   50.182 ? 75  GLU   B C    1 ? 2 
ATOM   2764 O O    . GLU   B 1 63  ? -22.533 12.581  -11.564 1   41.513 ? 75  GLU   B O    1 ? 2 
ATOM   2765 C CB   . GLU   B 1 63  ? -24.291 14.285  -13.637 1   58.767 ? 75  GLU   B CB   1 ? 2 
ATOM   2766 C CG   . GLU   B 1 63  ? -23.581 13.214  -14.466 1   59.671 ? 75  GLU   B CG   1 ? 2 
ATOM   2767 C CD   . GLU   B 1 63  ? -24.325 12.777  -15.73  1   61.923 ? 75  GLU   B CD   1 ? 2 
ATOM   2768 O OE1  . GLU   B 1 63  ? -23.871 11.794  -16.375 1   59.609 ? 75  GLU   B OE1  1 ? 2 
ATOM   2769 O OE2  . GLU   B 1 63  ? -25.355 13.406  -16.087 1   65.377 ? 75  GLU   B OE2  1 ? 2 
ATOM   2770 H H    . GLU   B 1 63  ? -21.532 14.575  -12.431 1   53.497 ? 75  GLU   B H    1 c 2 
ATOM   2771 H HA   . GLU   B 1 63  ? -24.128 15.277  -11.826 1   56.125 ? 75  GLU   B HA   1 c 2 
ATOM   2772 H HB2  . GLU   B 1 63  ? -25.203 13.983  -13.444 1   58.566 ? 75  GLU   B HB2  1 c 2 
ATOM   2773 H HB3  . GLU   B 1 63  ? -24.355 15.106  -14.168 1   60.545 ? 75  GLU   B HB3  1 c 2 
ATOM   2774 H HG2  . GLU   B 1 63  ? -22.698 13.55   -14.728 1   59.76  ? 75  GLU   B HG2  1 c 2 
ATOM   2775 H HG3  . GLU   B 1 63  ? -23.438 12.421  -13.909 1   57.513 ? 75  GLU   B HG3  1 c 2 
ATOM   2776 N N    . PRO   B 1 64  ? -24.617 12.988  -10.752 1   48.483 ? 76  PRO   B N    1 ? 2 
ATOM   2777 C CA   . PRO   B 1 64  ? -24.687 11.698  -10.084 1   43.892 ? 76  PRO   B CA   1 ? 2 
ATOM   2778 C C    . PRO   B 1 64  ? -24.627 10.522  -11.057 1   42.378 ? 76  PRO   B C    1 ? 2 
ATOM   2779 O O    . PRO   B 1 64  ? -25.04  10.642  -12.224 1   42.254 ? 76  PRO   B O    1 ? 2 
ATOM   2780 C CB   . PRO   B 1 64  ? -26.036 11.645  -9.404  1   45.917 ? 76  PRO   B CB   1 ? 2 
ATOM   2781 C CG   . PRO   B 1 64  ? -26.599 13.043  -9.496  1   49.179 ? 76  PRO   B CG   1 ? 2 
ATOM   2782 C CD   . PRO   B 1 64  ? -25.85  13.774  -10.6   1   51.773 ? 76  PRO   B CD   1 ? 2 
ATOM   2783 H HA   . PRO   B 1 64  ? -23.967 11.627  -9.422  1   43.472 ? 76  PRO   B HA   1 c 2 
ATOM   2784 H HB2  . PRO   B 1 64  ? -26.626 11.007  -9.852  1   45.463 ? 76  PRO   B HB2  1 c 2 
ATOM   2785 H HB3  . PRO   B 1 64  ? -25.941 11.372  -8.472  1   44.932 ? 76  PRO   B HB3  1 c 2 
ATOM   2786 H HG2  . PRO   B 1 64  ? -27.555 13.013  -9.702  1   50.175 ? 76  PRO   B HG2  1 c 2 
ATOM   2787 H HG3  . PRO   B 1 64  ? -26.483 13.512  -8.645  1   49.795 ? 76  PRO   B HG3  1 c 2 
ATOM   2788 H HD2  . PRO   B 1 64  ? -26.362 13.779  -11.432 1   51.993 ? 76  PRO   B HD2  1 c 2 
ATOM   2789 H HD3  . PRO   B 1 64  ? -25.646 14.692  -10.34  1   52.538 ? 76  PRO   B HD3  1 c 2 
ATOM   2790 N N    . PHE   B 1 65  ? -24.077 9.405   -10.553 1   36.728 ? 77  PHE   B N    1 ? 2 
ATOM   2791 C CA   . PHE   B 1 65  ? -24.156 8.141   -11.264 1   35.889 ? 77  PHE   B CA   1 ? 2 
ATOM   2792 C C    . PHE   B 1 65  ? -25.405 7.402   -10.826 1   35.65  ? 77  PHE   B C    1 ? 2 
ATOM   2793 O O    . PHE   B 1 65  ? -25.652 7.228   -9.615  1   34.992 ? 77  PHE   B O    1 ? 2 
ATOM   2794 C CB   . PHE   B 1 65  ? -22.93  7.28    -10.991 1   33.318 ? 77  PHE   B CB   1 ? 2 
ATOM   2795 C CG   . PHE   B 1 65  ? -22.954 5.913   -11.656 1   33.272 ? 77  PHE   B CG   1 ? 2 
ATOM   2796 C CD1  . PHE   B 1 65  ? -22.584 5.762   -12.982 1   35.568 ? 77  PHE   B CD1  1 ? 2 
ATOM   2797 C CD2  . PHE   B 1 65  ? -23.283 4.77    -10.957 1   32.653 ? 77  PHE   B CD2  1 ? 2 
ATOM   2798 C CE1  . PHE   B 1 65  ? -22.575 4.506   -13.586 1   34.473 ? 77  PHE   B CE1  1 ? 2 
ATOM   2799 C CE2  . PHE   B 1 65  ? -23.248 3.511   -11.536 1   31.854 ? 77  PHE   B CE2  1 ? 2 
ATOM   2800 C CZ   . PHE   B 1 65  ? -22.904 3.378   -12.865 1   32.461 ? 77  PHE   B CZ   1 ? 2 
ATOM   2801 H H    . PHE   B 1 65  ? -23.644 9.435   -9.749  1   36.785 ? 77  PHE   B H    1 c 2 
ATOM   2802 H HA   . PHE   B 1 65  ? -24.208 8.322   -12.239 1   36.605 ? 77  PHE   B HA   1 c 2 
ATOM   2803 H HB2  . PHE   B 1 65  ? -22.134 7.768   -11.299 1   33.858 ? 77  PHE   B HB2  1 c 2 
ATOM   2804 H HB3  . PHE   B 1 65  ? -22.847 7.158   -10.019 1   32.843 ? 77  PHE   B HB3  1 c 2 
ATOM   2805 H HD1  . PHE   B 1 65  ? -22.351 6.524   -13.488 1   36.002 ? 77  PHE   B HD1  1 c 2 
ATOM   2806 H HD2  . PHE   B 1 65  ? -23.511 4.846   -10.044 1   32.371 ? 77  PHE   B HD2  1 c 2 
ATOM   2807 H HE1  . PHE   B 1 65  ? -22.33  4.427   -14.495 1   35.243 ? 77  PHE   B HE1  1 c 2 
ATOM   2808 H HE2  . PHE   B 1 65  ? -23.495 2.752   -11.032 1   31.526 ? 77  PHE   B HE2  1 c 2 
ATOM   2809 H HZ   . PHE   B 1 65  ? -22.901 2.528   -13.277 1   32.27  ? 77  PHE   B HZ   1 c 2 
ATOM   2810 N N    . VAL   B 1 66  ? -26.161 6.912   -11.806 1   35.982 ? 78  VAL   B N    1 ? 2 
ATOM   2811 C CA   . VAL   B 1 66  ? -27.475 6.344   -11.545 1   35.509 ? 78  VAL   B CA   1 ? 2 
ATOM   2812 C C    . VAL   B 1 66  ? -27.524 4.936   -12.127 1   34.651 ? 78  VAL   B C    1 ? 2 
ATOM   2813 O O    . VAL   B 1 66  ? -27.123 4.724   -13.264 1   35.651 ? 78  VAL   B O    1 ? 2 
ATOM   2814 C CB   . VAL   B 1 66  ? -28.568 7.221   -12.176 1   40.334 ? 78  VAL   B CB   1 ? 2 
ATOM   2815 C CG1  . VAL   B 1 66  ? -29.945 6.599   -11.978 1   42.581 ? 78  VAL   B CG1  1 ? 2 
ATOM   2816 C CG2  . VAL   B 1 66  ? -28.521 8.643   -11.62  1   40.359 ? 78  VAL   B CG2  1 ? 2 
ATOM   2817 H H    . VAL   B 1 66  ? -25.851 6.926   -12.666 1   36.116 ? 78  VAL   B H    1 c 2 
ATOM   2818 H HA   . VAL   B 1 66  ? -27.618 6.3     -10.584 1   35.614 ? 78  VAL   B HA   1 c 2 
ATOM   2819 H HB   . VAL   B 1 66  ? -28.387 7.264   -13.145 1   40.384 ? 78  VAL   B HB   1 c 2 
ATOM   2820 H HG11 . VAL   B 1 66  ? -30.104 6.454   -11.03  1   41.904 ? 78  VAL   B HG11 1 c 2 
ATOM   2821 H HG12 . VAL   B 1 66  ? -29.993 5.749   -12.447 1   41.899 ? 78  VAL   B HG12 1 c 2 
ATOM   2822 H HG13 . VAL   B 1 66  ? -30.62  7.199   -12.331 1   43.893 ? 78  VAL   B HG13 1 c 2 
ATOM   2823 H HG21 . VAL   B 1 66  ? -29.286 9.145   -11.947 1   42.079 ? 78  VAL   B HG21 1 c 2 
ATOM   2824 H HG22 . VAL   B 1 66  ? -27.702 9.079   -11.91  1   40.476 ? 78  VAL   B HG22 1 c 2 
ATOM   2825 H HG23 . VAL   B 1 66  ? -28.544 8.613   -10.65  1   40.149 ? 78  VAL   B HG23 1 c 2 
ATOM   2826 N N    . PHE   B 1 67  ? -28.007 3.981   -11.333 1   34.929 ? 79  PHE   B N    1 ? 2 
ATOM   2827 C CA   . PHE   B 1 67  ? -28.144 2.61    -11.806 1   32.654 ? 79  PHE   B CA   1 ? 2 
ATOM   2828 C C    . PHE   B 1 67  ? -29.266 1.903   -11.043 1   33.608 ? 79  PHE   B C    1 ? 2 
ATOM   2829 O O    . PHE   B 1 67  ? -29.685 2.363   -9.982  1   36.213 ? 79  PHE   B O    1 ? 2 
ATOM   2830 C CB   . PHE   B 1 67  ? -26.825 1.849   -11.641 1   32.127 ? 79  PHE   B CB   1 ? 2 
ATOM   2831 C CG   . PHE   B 1 67  ? -26.453 1.476   -10.21  1   29.455 ? 79  PHE   B CG   1 ? 2 
ATOM   2832 C CD1  . PHE   B 1 67  ? -25.923 2.422   -9.333  1   31.38  ? 79  PHE   B CD1  1 ? 2 
ATOM   2833 C CD2  . PHE   B 1 67  ? -26.602 0.176   -9.74   1   29.876 ? 79  PHE   B CD2  1 ? 2 
ATOM   2834 C CE1  . PHE   B 1 67  ? -25.598 2.066   -8.021  1   31.252 ? 79  PHE   B CE1  1 ? 2 
ATOM   2835 C CE2  . PHE   B 1 67  ? -26.253 -0.181  -8.426  1   27.837 ? 79  PHE   B CE2  1 ? 2 
ATOM   2836 C CZ   . PHE   B 1 67  ? -25.776 0.773   -7.569  1   28.743 ? 79  PHE   B CZ   1 ? 2 
ATOM   2837 H H    . PHE   B 1 67  ? -28.257 4.182   -10.477 1   34.622 ? 79  PHE   B H    1 c 2 
ATOM   2838 H HA   . PHE   B 1 67  ? -28.381 2.629   -12.771 1   33.63  ? 79  PHE   B HA   1 c 2 
ATOM   2839 H HB2  . PHE   B 1 67  ? -26.876 1.026   -12.176 1   31.661 ? 79  PHE   B HB2  1 c 2 
ATOM   2840 H HB3  . PHE   B 1 67  ? -26.103 2.399   -12.019 1   31.266 ? 79  PHE   B HB3  1 c 2 
ATOM   2841 H HD1  . PHE   B 1 67  ? -25.816 3.316   -9.618  1   31.584 ? 79  PHE   B HD1  1 c 2 
ATOM   2842 H HD2  . PHE   B 1 67  ? -26.949 -0.483  -10.32  1   30.102 ? 79  PHE   B HD2  1 c 2 
ATOM   2843 H HE1  . PHE   B 1 67  ? -25.252 2.72    -7.434  1   30.542 ? 79  PHE   B HE1  1 c 2 
ATOM   2844 H HE2  . PHE   B 1 67  ? -26.38  -1.067  -8.127  1   27.986 ? 79  PHE   B HE2  1 c 2 
ATOM   2845 H HZ   . PHE   B 1 67  ? -25.531 0.539   -6.688  1   28.157 ? 79  PHE   B HZ   1 c 2 
ATOM   2846 N N    . SER   B 1 68  ? -29.72  0.767   -11.594 1   35.616 ? 80  SER   B N    1 ? 2 
ATOM   2847 C CA   . SER   B 1 68  ? -30.722 -0.074  -10.958 1   35.058 ? 80  SER   B CA   1 ? 2 
ATOM   2848 C C    . SER   B 1 68  ? -30.044 -1.155  -10.149 1   32.961 ? 80  SER   B C    1 ? 2 
ATOM   2849 O O    . SER   B 1 68  ? -29.261 -1.921  -10.695 1   32.872 ? 80  SER   B O    1 ? 2 
ATOM   2850 C CB   . SER   B 1 68  ? -31.635 -0.713  -11.963 1   37.506 ? 80  SER   B CB   1 ? 2 
ATOM   2851 O OG   . SER   B 1 68  ? -32.329 0.3     -12.667 1   41.518 ? 80  SER   B OG   1 ? 2 
ATOM   2852 H H    . SER   B 1 68  ? -29.387 0.507   -12.405 1   35.118 ? 80  SER   B H    1 c 2 
ATOM   2853 H HA   . SER   B 1 68  ? -31.265 0.487   -10.351 1   35.994 ? 80  SER   B HA   1 c 2 
ATOM   2854 H HB2  . SER   B 1 68  ? -31.112 -1.25   -12.588 1   37.095 ? 80  SER   B HB2  1 c 2 
ATOM   2855 H HB3  . SER   B 1 68  ? -32.273 -1.294  -11.506 1   38.24  ? 80  SER   B HB3  1 c 2 
ATOM   2856 H HG   . SER   B 1 68  ? -32.862 -0.061  -13.213 0   20     ? 80  SER   B HG   1 c 2 
ATOM   2857 N N    . LEU   B 1 69  ? -30.379 -1.23   -8.858  1   33.83  ? 81  LEU   B N    1 ? 2 
ATOM   2858 C CA   . LEU   B 1 69  ? -29.667 -2.112  -7.942  1   31.009 ? 81  LEU   B CA   1 ? 2 
ATOM   2859 C C    . LEU   B 1 69  ? -29.973 -3.571  -8.23   1   31.588 ? 81  LEU   B C    1 ? 2 
ATOM   2860 O O    . LEU   B 1 69  ? -31.125 -3.957  -8.408  1   36.452 ? 81  LEU   B O    1 ? 2 
ATOM   2861 C CB   . LEU   B 1 69  ? -30.059 -1.787  -6.507  1   32.537 ? 81  LEU   B CB   1 ? 2 
ATOM   2862 C CG   . LEU   B 1 69  ? -29.264 -2.513  -5.419  1   33.423 ? 81  LEU   B CG   1 ? 2 
ATOM   2863 C CD1  . LEU   B 1 69  ? -27.792 -2.194  -5.371  1   31.573 ? 81  LEU   B CD1  1 ? 2 
ATOM   2864 C CD2  . LEU   B 1 69  ? -29.864 -2.157  -4.044  1   34.476 ? 81  LEU   B CD2  1 ? 2 
ATOM   2865 H H    . LEU   B 1 69  ? -31.069 -0.723  -8.538  1   34.258 ? 81  LEU   B H    1 c 2 
ATOM   2866 H HA   . LEU   B 1 69  ? -28.695 -1.958  -8.057  1   30.215 ? 81  LEU   B HA   1 c 2 
ATOM   2867 H HB2  . LEU   B 1 69  ? -29.956 -0.817  -6.373  1   32.727 ? 81  LEU   B HB2  1 c 2 
ATOM   2868 H HB3  . LEU   B 1 69  ? -31.013 -2.005  -6.392  1   33.883 ? 81  LEU   B HB3  1 c 2 
ATOM   2869 H HG   . LEU   B 1 69  ? -29.365 -3.49   -5.556  1   33.016 ? 81  LEU   B HG   1 c 2 
ATOM   2870 H HD11 . LEU   B 1 69  ? -27.373 -2.465  -6.205  1   31.239 ? 81  LEU   B HD11 1 c 2 
ATOM   2871 H HD12 . LEU   B 1 69  ? -27.379 -2.672  -4.632  1   30.859 ? 81  LEU   B HD12 1 c 2 
ATOM   2872 H HD13 . LEU   B 1 69  ? -27.67  -1.238  -5.245  1   31.646 ? 81  LEU   B HD13 1 c 2 
ATOM   2873 H HD21 . LEU   B 1 69  ? -30.796 -2.429  -4.016  1   35.53  ? 81  LEU   B HD21 1 c 2 
ATOM   2874 H HD22 . LEU   B 1 69  ? -29.802 -1.198  -3.901  1   34.606 ? 81  LEU   B HD22 1 c 2 
ATOM   2875 H HD23 . LEU   B 1 69  ? -29.372 -2.62   -3.345  1   33.938 ? 81  LEU   B HD23 1 c 2 
ATOM   2876 N N    . GLY   B 1 70  ? -28.924 -4.385  -8.256  1   32.782 ? 82  GLY   B N    1 ? 2 
ATOM   2877 C CA   . GLY   B 1 70  ? -29.054 -5.833  -8.308  1   34.797 ? 82  GLY   B CA   1 ? 2 
ATOM   2878 C C    . GLY   B 1 70  ? -29.455 -6.364  -9.676  1   36.98  ? 82  GLY   B C    1 ? 2 
ATOM   2879 O O    . GLY   B 1 70  ? -29.974 -7.462  -9.753  1   43.112 ? 82  GLY   B O    1 ? 2 
ATOM   2880 H H    . GLY   B 1 70  ? -28.085 -4.024  -8.239  1   31.377 ? 82  GLY   B H    1 c 2 
ATOM   2881 H HA2  . GLY   B 1 70  ? -28.195 -6.237  -8.045  1   33.651 ? 82  GLY   B HA2  1 c 2 
ATOM   2882 H HA3  . GLY   B 1 70  ? -29.728 -6.112  -7.645  1   35.282 ? 82  GLY   B HA3  1 c 2 
ATOM   2883 N N    . LYS   B 1 71  ? -29.144 -5.593  -10.734 1   38.772 ? 83  LYS   B N    1 ? 2 
ATOM   2884 C CA   . LYS   B 1 71  ? -29.448 -5.93   -12.111 1   38.119 ? 83  LYS   B CA   1 ? 2 
ATOM   2885 C C    . LYS   B 1 71  ? -28.153 -6.178  -12.902 1   35.806 ? 83  LYS   B C    1 ? 2 
ATOM   2886 O O    . LYS   B 1 71  ? -28.208 -6.411  -14.104 1   42.517 ? 83  LYS   B O    1 ? 2 
ATOM   2887 C CB   . LYS   B 1 71  ? -30.357 -4.868  -12.768 1   39.569 ? 83  LYS   B CB   1 ? 2 
ATOM   2888 H H    . LYS   B 1 71  ? -28.707 -4.806  -10.577 1   37.354 ? 83  LYS   B H    1 c 2 
ATOM   2889 H HA   . LYS   B 1 71  ? -29.96  -6.778  -12.108 1   39.116 ? 83  LYS   B HA   1 c 2 
ATOM   2890 H HB2  . LYS   B 1 71  ? -29.753 -4.213  -13.139 0   20     ? 83  LYS   B HB2  1 c 2 
ATOM   2891 H HB3  . LYS   B 1 71  ? -31.266 -5.14   -12.585 0   20     ? 83  LYS   B HB3  1 c 2 
ATOM   2892 N N    . GLY   B 1 72  ? -26.996 -6.235  -12.231 1   34.49  ? 84  GLY   B N    1 ? 2 
ATOM   2893 C CA   . GLY   B 1 72  ? -25.73  -6.424  -12.925 1   35.139 ? 84  GLY   B CA   1 ? 2 
ATOM   2894 C C    . GLY   B 1 72  ? -25.401 -5.281  -13.895 1   33.191 ? 84  GLY   B C    1 ? 2 
ATOM   2895 O O    . GLY   B 1 72  ? -24.687 -5.466  -14.888 1   34.006 ? 84  GLY   B O    1 ? 2 
ATOM   2896 H H    . GLY   B 1 72  ? -26.992 -6.161  -11.321 1   34.245 ? 84  GLY   B H    1 c 2 
ATOM   2897 H HA2  . GLY   B 1 72  ? -25.01  -6.5    -12.256 1   33.295 ? 84  GLY   B HA2  1 c 2 
ATOM   2898 H HA3  . GLY   B 1 72  ? -25.765 -7.274  -13.425 1   34.908 ? 84  GLY   B HA3  1 c 2 
ATOM   2899 N N    . GLN   B 1 73  ? -25.84  -4.064  -13.573 1   31.654 ? 85  GLN   B N    1 ? 2 
ATOM   2900 C CA   . GLN   B 1 73  ? -25.469 -2.898  -14.38  1   30.058 ? 85  GLN   B CA   1 ? 2 
ATOM   2901 C C    . GLN   B 1 73  ? -24.122 -2.354  -13.949 1   31.013 ? 85  GLN   B C    1 ? 2 
ATOM   2902 O O    . GLN   B 1 73  ? -23.553 -1.478  -14.601 1   33.254 ? 85  GLN   B O    1 ? 2 
ATOM   2903 C CB   . GLN   B 1 73  ? -26.493 -1.789  -14.233 1   30.625 ? 85  GLN   B CB   1 ? 2 
ATOM   2904 C CG   . GLN   B 1 73  ? -27.813 -2.2    -14.875 1   33.917 ? 85  GLN   B CG   1 ? 2 
ATOM   2905 C CD   . GLN   B 1 73  ? -28.886 -1.168  -14.746 1   36.638 ? 85  GLN   B CD   1 ? 2 
ATOM   2906 O OE1  . GLN   B 1 73  ? -28.657 -0.115  -14.149 1   35.598 ? 85  GLN   B OE1  1 ? 2 
ATOM   2907 N NE2  . GLN   B 1 73  ? -30.009 -1.426  -15.405 1   42.034 ? 85  GLN   B NE2  1 ? 2 
ATOM   2908 H H    . GLN   B 1 73  ? -26.374 -3.947  -12.842 1   31.622 ? 85  GLN   B H    1 c 2 
ATOM   2909 H HA   . GLN   B 1 73  ? -25.419 -3.17   -15.332 1   31.043 ? 85  GLN   B HA   1 c 2 
ATOM   2910 H HB2  . GLN   B 1 73  ? -26.635 -1.599  -13.282 1   30.318 ? 85  GLN   B HB2  1 c 2 
ATOM   2911 H HB3  . GLN   B 1 73  ? -26.159 -0.973  -14.663 1   31.247 ? 85  GLN   B HB3  1 c 2 
ATOM   2912 H HG2  . GLN   B 1 73  ? -27.665 -2.381  -15.828 1   34.338 ? 85  GLN   B HG2  1 c 2 
ATOM   2913 H HG3  . GLN   B 1 73  ? -28.128 -3.031  -14.46  1   33.67  ? 85  GLN   B HG3  1 c 2 
ATOM   2914 H HE21 . GLN   B 1 73  ? -30.682 -0.849  -15.372 1   41.86  ? 85  GLN   B HE21 1 c 2 
ATOM   2915 H HE22 . GLN   B 1 73  ? -30.088 -2.173  -15.876 1   41.216 ? 85  GLN   B HE22 1 c 2 
ATOM   2916 N N    . VAL   B 1 74  ? -23.641 -2.907  -12.846 1   27.549 ? 86  VAL   B N    1 ? 2 
ATOM   2917 C CA   . VAL   B 1 74  ? -22.411 -2.525  -12.185 1   27.078 ? 86  VAL   B CA   1 ? 2 
ATOM   2918 C C    . VAL   B 1 74  ? -21.734 -3.821  -11.736 1   24.45  ? 86  VAL   B C    1 ? 2 
ATOM   2919 O O    . VAL   B 1 74  ? -22.345 -4.889  -11.724 1   25.465 ? 86  VAL   B O    1 ? 2 
ATOM   2920 C CB   . VAL   B 1 74  ? -22.692 -1.587  -10.985 1   28.162 ? 86  VAL   B CB   1 ? 2 
ATOM   2921 C CG1  . VAL   B 1 74  ? -23.216 -0.228  -11.429 1   29.361 ? 86  VAL   B CG1  1 ? 2 
ATOM   2922 C CG2  . VAL   B 1 74  ? -23.693 -2.218  -10.002 1   30.295 ? 86  VAL   B CG2  1 ? 2 
ATOM   2923 H H    . VAL   B 1 74  ? -24.127 -3.576  -12.46  1   28.357 ? 86  VAL   B H    1 c 2 
ATOM   2924 H HA   . VAL   B 1 74  ? -21.833 -2.067  -12.824 1   27.004 ? 86  VAL   B HA   1 c 2 
ATOM   2925 H HB   . VAL   B 1 74  ? -21.838 -1.449  -10.511 1   27.706 ? 86  VAL   B HB   1 c 2 
ATOM   2926 H HG11 . VAL   B 1 74  ? -24.061 -0.342  -11.896 1   30.121 ? 86  VAL   B HG11 1 c 2 
ATOM   2927 H HG12 . VAL   B 1 74  ? -22.572 0.19    -12.025 1   29.52  ? 86  VAL   B HG12 1 c 2 
ATOM   2928 H HG13 . VAL   B 1 74  ? -23.351 0.338   -10.651 1   29.156 ? 86  VAL   B HG13 1 c 2 
ATOM   2929 H HG21 . VAL   B 1 74  ? -23.842 -1.61   -9.258  1   30.009 ? 86  VAL   B HG21 1 c 2 
ATOM   2930 H HG22 . VAL   B 1 74  ? -23.337 -3.057  -9.666  1   29.335 ? 86  VAL   B HG22 1 c 2 
ATOM   2931 H HG23 . VAL   B 1 74  ? -24.536 -2.383  -10.456 1   30.392 ? 86  VAL   B HG23 1 c 2 
ATOM   2932 N N    . ILE   B 1 75  ? -20.462 -3.711  -11.338 1   25.384 ? 87  ILE   B N    1 ? 2 
ATOM   2933 C CA   . ILE   B 1 75  ? -19.739 -4.834  -10.789 1   23.019 ? 87  ILE   B CA   1 ? 2 
ATOM   2934 C C    . ILE   B 1 75  ? -20.451 -5.391  -9.551  1   23.778 ? 87  ILE   B C    1 ? 2 
ATOM   2935 O O    . ILE   B 1 75  ? -21.178 -4.65   -8.868  1   25.248 ? 87  ILE   B O    1 ? 2 
ATOM   2936 C CB   . ILE   B 1 75  ? -18.302 -4.439  -10.504 1   22.317 ? 87  ILE   B CB   1 ? 2 
ATOM   2937 C CG1  . ILE   B 1 75  ? -18.21  -3.215  -9.522  1   23.932 ? 87  ILE   B CG1  1 ? 2 
ATOM   2938 C CG2  . ILE   B 1 75  ? -17.473 -4.184  -11.776 1   25.1   ? 87  ILE   B CG2  1 ? 2 
ATOM   2939 C CD1  . ILE   B 1 75  ? -16.809 -3.022  -9.001  1   23.43  ? 87  ILE   B CD1  1 ? 2 
ATOM   2940 H H    . ILE   B 1 75  ? -20.034 -2.909  -11.429 1   24.534 ? 87  ILE   B H    1 c 2 
ATOM   2941 H HA   . ILE   B 1 75  ? -19.724 -5.536  -11.469 1   23.694 ? 87  ILE   B HA   1 c 2 
ATOM   2942 H HB   . ILE   B 1 75  ? -17.891 -5.197  -10.045 1   22.408 ? 87  ILE   B HB   1 c 2 
ATOM   2943 H HG12 . ILE   B 1 75  ? -18.491 -2.403  -9.991  1   24.108 ? 87  ILE   B HG12 1 c 2 
ATOM   2944 H HG13 . ILE   B 1 75  ? -18.816 -3.358  -8.767  1   23.203 ? 87  ILE   B HG13 1 c 2 
ATOM   2945 H HG21 . ILE   B 1 75  ? -16.54  -4.054  -11.539 1   24.365 ? 87  ILE   B HG21 1 c 2 
ATOM   2946 H HG22 . ILE   B 1 75  ? -17.805 -3.389  -12.227 1   25.08  ? 87  ILE   B HG22 1 c 2 
ATOM   2947 H HG23 . ILE   B 1 75  ? -17.55  -4.948  -12.372 1   24.726 ? 87  ILE   B HG23 1 c 2 
ATOM   2948 H HD11 . ILE   B 1 75  ? -16.489 -3.857  -8.608  1   23.134 ? 87  ILE   B HD11 1 c 2 
ATOM   2949 H HD12 . ILE   B 1 75  ? -16.812 -2.324  -8.319  1   23.268 ? 87  ILE   B HD12 1 c 2 
ATOM   2950 H HD13 . ILE   B 1 75  ? -16.214 -2.758  -9.728  1   23.945 ? 87  ILE   B HD13 1 c 2 
ATOM   2951 N N    . LYS   B 1 76  ? -20.321 -6.713  -9.361  1   23.841 ? 88  LYS   B N    1 ? 2 
ATOM   2952 C CA   . LYS   B 1 76  ? -21.01  -7.43   -8.283  1   22.895 ? 88  LYS   B CA   1 ? 2 
ATOM   2953 C C    . LYS   B 1 76  ? -20.783 -6.709  -6.949  1   23.546 ? 88  LYS   B C    1 ? 2 
ATOM   2954 O O    . LYS   B 1 76  ? -21.719 -6.657  -6.147  1   24.004 ? 88  LYS   B O    1 ? 2 
ATOM   2955 C CB   . LYS   B 1 76  ? -20.506 -8.88   -8.171  1   26.647 ? 88  LYS   B CB   1 ? 2 
ATOM   2956 H H    . LYS   B 1 76  ? -19.78  -7.187  -9.924  1   23.6   ? 88  LYS   B H    1 c 2 
ATOM   2957 H HA   . LYS   B 1 76  ? -21.981 -7.437  -8.482  1   24.39  ? 88  LYS   B HA   1 c 2 
ATOM   2958 H HB2  . LYS   B 1 76  ? -19.506 -8.868  -8.167  0   20     ? 88  LYS   B HB2  1 c 2 
ATOM   2959 H HB3  . LYS   B 1 76  ? -21.263 -9.473  -8.123  0   20     ? 88  LYS   B HB3  1 c 2 
ATOM   2960 N N    . ALA   B 1 77  ? -19.557 -6.231  -6.672  1   23.963 ? 89  ALA   B N    1 ? 2 
ATOM   2961 C CA   . ALA   B 1 77  ? -19.269 -5.544  -5.404  1   23.932 ? 89  ALA   B CA   1 ? 2 
ATOM   2962 C C    . ALA   B 1 77  ? -20.206 -4.367  -5.147  1   22.918 ? 89  ALA   B C    1 ? 2 
ATOM   2963 O O    . ALA   B 1 77  ? -20.561 -4.023  -4.006  1   24.072 ? 89  ALA   B O    1 ? 2 
ATOM   2964 C CB   . ALA   B 1 77  ? -17.828 -5.096  -5.366  1   22.882 ? 89  ALA   B CB   1 ? 2 
ATOM   2965 H H    . ALA   B 1 77  ? -18.883 -6.34   -7.279  1   23.045 ? 89  ALA   B H    1 c 2 
ATOM   2966 H HA   . ALA   B 1 77  ? -19.41  -6.203  -4.669  1   23.551 ? 89  ALA   B HA   1 c 2 
ATOM   2967 H HB1  . ALA   B 1 77  ? -17.244 -5.872  -5.398  1   23.019 ? 89  ALA   B HB1  1 c 2 
ATOM   2968 H HB2  . ALA   B 1 77  ? -17.644 -4.523  -6.129  1   23.098 ? 89  ALA   B HB2  1 c 2 
ATOM   2969 H HB3  . ALA   B 1 77  ? -17.661 -4.602  -4.546  1   22.867 ? 89  ALA   B HB3  1 c 2 
ATOM   2970 N N    . TRP   B 1 78  ? -20.646 -3.668  -6.204  1   22.547 ? 90  TRP   B N    1 ? 2 
ATOM   2971 C CA   . TRP   B 1 78  ? -21.538 -2.542  -5.979  1   23.39  ? 90  TRP   B CA   1 ? 2 
ATOM   2972 C C    . TRP   B 1 78  ? -22.958 -3.031  -5.658  1   24.707 ? 90  TRP   B C    1 ? 2 
ATOM   2973 O O    . TRP   B 1 78  ? -23.675 -2.441  -4.829  1   24.449 ? 90  TRP   B O    1 ? 2 
ATOM   2974 C CB   . TRP   B 1 78  ? -21.562 -1.605  -7.203  1   25.761 ? 90  TRP   B CB   1 ? 2 
ATOM   2975 C CG   . TRP   B 1 78  ? -20.521 -0.52   -7.182  1   24.946 ? 90  TRP   B CG   1 ? 2 
ATOM   2976 C CD1  . TRP   B 1 78  ? -19.186 -0.582  -6.935  1   23.806 ? 90  TRP   B CD1  1 ? 2 
ATOM   2977 C CD2  . TRP   B 1 78  ? -20.823 0.868   -7.419  1   25.041 ? 90  TRP   B CD2  1 ? 2 
ATOM   2978 N NE1  . TRP   B 1 78  ? -18.627 0.66    -6.965  1   25.162 ? 90  TRP   B NE1  1 ? 2 
ATOM   2979 C CE2  . TRP   B 1 78  ? -19.597 1.577   -7.307  1   25.284 ? 90  TRP   B CE2  1 ? 2 
ATOM   2980 C CE3  . TRP   B 1 78  ? -22.002 1.548   -7.742  1   25.22  ? 90  TRP   B CE3  1 ? 2 
ATOM   2981 C CZ2  . TRP   B 1 78  ? -19.522 2.956   -7.495  1   25.29  ? 90  TRP   B CZ2  1 ? 2 
ATOM   2982 C CZ3  . TRP   B 1 78  ? -21.913 2.905   -7.957  1   27.119 ? 90  TRP   B CZ3  1 ? 2 
ATOM   2983 C CH2  . TRP   B 1 78  ? -20.688 3.59    -7.861  1   26.747 ? 90  TRP   B CH2  1 ? 2 
ATOM   2984 H H    . TRP   B 1 78  ? -20.387 -3.883  -7.054  1   22.299 ? 90  TRP   B H    1 c 2 
ATOM   2985 H HA   . TRP   B 1 78  ? -21.199 -2.023  -5.2    1   23.639 ? 90  TRP   B HA   1 c 2 
ATOM   2986 H HB2  . TRP   B 1 78  ? -21.439 -2.145  -8.012  1   25.07  ? 90  TRP   B HB2  1 c 2 
ATOM   2987 H HB3  . TRP   B 1 78  ? -22.449 -1.19   -7.259  1   25.85  ? 90  TRP   B HB3  1 c 2 
ATOM   2988 H HD1  . TRP   B 1 78  ? -18.715 -1.37   -6.716  1   23.779 ? 90  TRP   B HD1  1 c 2 
ATOM   2989 H HE1  . TRP   B 1 78  ? -17.781 0.832   -6.86   1   24.749 ? 90  TRP   B HE1  1 c 2 
ATOM   2990 H HE3  . TRP   B 1 78  ? -22.817 1.087   -7.849  1   25.823 ? 90  TRP   B HE3  1 c 2 
ATOM   2991 H HZ2  . TRP   B 1 78  ? -18.706 3.42    -7.424  1   25.728 ? 90  TRP   B HZ2  1 c 2 
ATOM   2992 H HZ3  . TRP   B 1 78  ? -22.691 3.386   -8.186  1   27.367 ? 90  TRP   B HZ3  1 c 2 
ATOM   2993 H HH2  . TRP   B 1 78  ? -20.679 4.523   -7.977  1   27.446 ? 90  TRP   B HH2  1 c 2 
ATOM   2994 N N    . ASP   B 1 79  ? -23.426 -4.077  -6.347  1   23.819 ? 91  ASP   B N    1 ? 2 
ATOM   2995 C CA   . ASP   B 1 79  ? -24.732 -4.623  -6.067  1   25.807 ? 91  ASP   B CA   1 ? 2 
ATOM   2996 C C    . ASP   B 1 79  ? -24.77  -5.104  -4.611  1   25.26  ? 91  ASP   B C    1 ? 2 
ATOM   2997 O O    . ASP   B 1 79  ? -25.754 -4.893  -3.898  1   28.073 ? 91  ASP   B O    1 ? 2 
ATOM   2998 C CB   . ASP   B 1 79  ? -25.102 -5.69   -7.086  1   25.647 ? 91  ASP   B CB   1 ? 2 
ATOM   2999 C CG   . ASP   B 1 79  ? -25.677 -5.175  -8.402  1   27.378 ? 91  ASP   B CG   1 ? 2 
ATOM   3000 O OD1  . ASP   B 1 79  ? -26.127 -4.018  -8.477  1   28.478 ? 91  ASP   B OD1  1 ? 2 
ATOM   3001 O OD2  . ASP   B 1 79  ? -25.709 -5.984  -9.298  1   30.114 ? 91  ASP   B OD2  1 ? 2 
ATOM   3002 H H    . ASP   B 1 79  ? -22.92  -4.45   -7.011  1   23.766 ? 91  ASP   B H    1 c 2 
ATOM   3003 H HA   . ASP   B 1 79  ? -25.388 -3.896  -6.16   1   26.066 ? 91  ASP   B HA   1 c 2 
ATOM   3004 H HB2  . ASP   B 1 79  ? -24.305 -6.224  -7.29   1   25.187 ? 91  ASP   B HB2  1 c 2 
ATOM   3005 H HB3  . ASP   B 1 79  ? -25.765 -6.289  -6.683  1   26.572 ? 91  ASP   B HB3  1 c 2 
ATOM   3006 N N    . ILE   B 1 80  ? -23.699 -5.74   -4.156  1   24.722 ? 92  ILE   B N    1 ? 2 
ATOM   3007 C CA   . ILE   B 1 80  ? -23.62  -6.223  -2.769  1   24.729 ? 92  ILE   B CA   1 ? 2 
ATOM   3008 C C    . ILE   B 1 80  ? -23.502 -5.031  -1.832  1   25.046 ? 92  ILE   B C    1 ? 2 
ATOM   3009 O O    . ILE   B 1 80  ? -24.241 -4.957  -0.845  1   26.845 ? 92  ILE   B O    1 ? 2 
ATOM   3010 C CB   . ILE   B 1 80  ? -22.446 -7.198  -2.598  1   24.714 ? 92  ILE   B CB   1 ? 2 
ATOM   3011 C CG1  . ILE   B 1 80  ? -22.638 -8.47   -3.433  1   26.24  ? 92  ILE   B CG1  1 ? 2 
ATOM   3012 C CG2  . ILE   B 1 80  ? -22.19  -7.49   -1.116  1   26.893 ? 92  ILE   B CG2  1 ? 2 
ATOM   3013 C CD1  . ILE   B 1 80  ? -21.345 -9.261  -3.647  1   27.974 ? 92  ILE   B CD1  1 ? 2 
ATOM   3014 H H    . ILE   B 1 80  ? -22.992 -5.891  -4.716  1   24.017 ? 92  ILE   B H    1 c 2 
ATOM   3015 H HA   . ILE   B 1 80  ? -24.447 -6.701  -2.562  1   25.623 ? 92  ILE   B HA   1 c 2 
ATOM   3016 H HB   . ILE   B 1 80  ? -21.649 -6.748  -2.944  1   24.584 ? 92  ILE   B HB   1 c 2 
ATOM   3017 H HG12 . ILE   B 1 80  ? -23.29  -9.046  -2.984  1   26.812 ? 92  ILE   B HG12 1 c 2 
ATOM   3018 H HG13 . ILE   B 1 80  ? -23.006 -8.224  -4.307  1   26.339 ? 92  ILE   B HG13 1 c 2 
ATOM   3019 H HG21 . ILE   B 1 80  ? -21.54  -8.207  -1.032  1   26.253 ? 92  ILE   B HG21 1 c 2 
ATOM   3020 H HG22 . ILE   B 1 80  ? -23.021 -7.758  -0.688  1   27.154 ? 92  ILE   B HG22 1 c 2 
ATOM   3021 H HG23 . ILE   B 1 80  ? -21.845 -6.694  -0.679  1   26.189 ? 92  ILE   B HG23 1 c 2 
ATOM   3022 H HD11 . ILE   B 1 80  ? -20.688 -8.695  -4.095  1   26.968 ? 92  ILE   B HD11 1 c 2 
ATOM   3023 H HD12 . ILE   B 1 80  ? -21.53  -10.042 -4.202  1   27.768 ? 92  ILE   B HD12 1 c 2 
ATOM   3024 H HD13 . ILE   B 1 80  ? -20.989 -9.553  -2.787  1   27.599 ? 92  ILE   B HD13 1 c 2 
ATOM   3025 N N    . GLY   B 1 81  ? -22.603 -4.098  -2.142  1   22.653 ? 93  GLY   B N    1 ? 2 
ATOM   3026 C CA   . GLY   B 1 81  ? -22.247 -3.062  -1.186  1   23.333 ? 93  GLY   B CA   1 ? 2 
ATOM   3027 C C    . GLY   B 1 81  ? -23.294 -1.98   -1.037  1   24.09  ? 93  GLY   B C    1 ? 2 
ATOM   3028 O O    . GLY   B 1 81  ? -23.584 -1.513  0.066   1   26.195 ? 93  GLY   B O    1 ? 2 
ATOM   3029 H H    . GLY   B 1 81  ? -22.198 -4.105  -2.961  1   22.33  ? 93  GLY   B H    1 c 2 
ATOM   3030 H HA2  . GLY   B 1 81  ? -22.092 -3.482  -0.308  1   23.119 ? 93  GLY   B HA2  1 c 2 
ATOM   3031 H HA3  . GLY   B 1 81  ? -21.397 -2.65   -1.471  1   22.663 ? 93  GLY   B HA3  1 c 2 
ATOM   3032 N N    . VAL   B 1 82  ? -23.826 -1.486  -2.162  1   25.051 ? 94  VAL   B N    1 ? 2 
ATOM   3033 C CA   . VAL   B 1 82  ? -24.807 -0.432  -2.095  1   23.786 ? 94  VAL   B CA   1 ? 2 
ATOM   3034 C C    . VAL   B 1 82  ? -26.078 -0.934  -1.398  1   27.846 ? 94  VAL   B C    1 ? 2 
ATOM   3035 O O    . VAL   B 1 82  ? -26.724 -0.145  -0.71   1   28.945 ? 94  VAL   B O    1 ? 2 
ATOM   3036 C CB   . VAL   B 1 82  ? -25.061 0.177   -3.494  1   25.633 ? 94  VAL   B CB   1 ? 2 
ATOM   3037 C CG1  . VAL   B 1 82  ? -26.205 1.179   -3.42   1   30.58  ? 94  VAL   B CG1  1 ? 2 
ATOM   3038 C CG2  . VAL   B 1 82  ? -23.784 0.804   -4.051  1   27.306 ? 94  VAL   B CG2  1 ? 2 
ATOM   3039 H H    . VAL   B 1 82  ? -23.574 -1.817  -2.976  1   23.92  ? 94  VAL   B H    1 c 2 
ATOM   3040 H HA   . VAL   B 1 82  ? -24.431 0.277   -1.538  1   24.843 ? 94  VAL   B HA   1 c 2 
ATOM   3041 H HB   . VAL   B 1 82  ? -25.333 -0.558  -4.091  1   25.926 ? 94  VAL   B HB   1 c 2 
ATOM   3042 H HG11 . VAL   B 1 82  ? -26.057 1.789   -2.677  1   29.964 ? 94  VAL   B HG11 1 c 2 
ATOM   3043 H HG12 . VAL   B 1 82  ? -27.046 0.709   -3.291  1   30.263 ? 94  VAL   B HG12 1 c 2 
ATOM   3044 H HG13 . VAL   B 1 82  ? -26.243 1.685   -4.248  1   29.831 ? 94  VAL   B HG13 1 c 2 
ATOM   3045 H HG21 . VAL   B 1 82  ? -23.976 1.229   -4.904  1   27.271 ? 94  VAL   B HG21 1 c 2 
ATOM   3046 H HG22 . VAL   B 1 82  ? -23.11  0.116   -4.179  1   25.815 ? 94  VAL   B HG22 1 c 2 
ATOM   3047 H HG23 . VAL   B 1 82  ? -23.45  1.471   -3.427  1   26.865 ? 94  VAL   B HG23 1 c 2 
ATOM   3048 N N    . ALA   B 1 83  ? -26.404 -2.23   -1.495  1   26.92  ? 95  ALA   B N    1 ? 2 
ATOM   3049 C CA   . ALA   B 1 83  ? -27.545 -2.816  -0.799  1   28.378 ? 95  ALA   B CA   1 ? 2 
ATOM   3050 C C    . ALA   B 1 83  ? -27.418 -2.703  0.723   1   28.3   ? 95  ALA   B C    1 ? 2 
ATOM   3051 O O    . ALA   B 1 83  ? -28.422 -2.892  1.411   1   30.197 ? 95  ALA   B O    1 ? 2 
ATOM   3052 C CB   . ALA   B 1 83  ? -27.709 -4.294  -1.204  1   28.647 ? 95  ALA   B CB   1 ? 2 
ATOM   3053 H H    . ALA   B 1 83  ? -25.897 -2.773  -2.027  1   26.555 ? 95  ALA   B H    1 c 2 
ATOM   3054 H HA   . ALA   B 1 83  ? -28.361 -2.315  -1.075  1   29.266 ? 95  ALA   B HA   1 c 2 
ATOM   3055 H HB1  . ALA   B 1 83  ? -27.85  -4.356  -2.163  1   28.389 ? 95  ALA   B HB1  1 c 2 
ATOM   3056 H HB2  . ALA   B 1 83  ? -26.908 -4.789  -0.965  1   27.806 ? 95  ALA   B HB2  1 c 2 
ATOM   3057 H HB3  . ALA   B 1 83  ? -28.473 -4.677  -0.741  1   29.609 ? 95  ALA   B HB3  1 c 2 
ATOM   3058 N N    . THR   B 1 84  ? -26.225 -2.378  1.231   1   27.785 ? 96  THR   B N    1 ? 2 
ATOM   3059 C CA   . THR   B 1 84  ? -26.012 -2.318  2.686   1   27.651 ? 96  THR   B CA   1 ? 2 
ATOM   3060 C C    . THR   B 1 84  ? -26.083 -0.876  3.174   1   28.509 ? 96  THR   B C    1 ? 2 
ATOM   3061 O O    . THR   B 1 84  ? -25.918 -0.651  4.369   1   30.856 ? 96  THR   B O    1 ? 2 
ATOM   3062 C CB   . THR   B 1 84  ? -24.662 -2.883  3.13    1   27.878 ? 96  THR   B CB   1 ? 2 
ATOM   3063 O OG1  . THR   B 1 84  ? -23.601 -2.028  2.675   1   25.403 ? 96  THR   B OG1  1 ? 2 
ATOM   3064 C CG2  . THR   B 1 84  ? -24.472 -4.311  2.696   1   28.485 ? 96  THR   B CG2  1 ? 2 
ATOM   3065 H H    . THR   B 1 84  ? -25.52  -2.209  0.676   1   26.754 ? 96  THR   B H    1 c 2 
ATOM   3066 H HA   . THR   B 1 84  ? -26.722 -2.834  3.127   1   28.506 ? 96  THR   B HA   1 c 2 
ATOM   3067 H HB   . THR   B 1 84  ? -24.649 -2.888  4.117   1   28.102 ? 96  THR   B HB   1 c 2 
ATOM   3068 H HG1  . THR   B 1 84  ? -23.621 -1.99   1.802   0   20     ? 96  THR   B HG1  1 c 2 
ATOM   3069 H HG21 . THR   B 1 84  ? -23.617 -4.638  3.024   1   27.758 ? 96  THR   B HG21 1 c 2 
ATOM   3070 H HG22 . THR   B 1 84  ? -24.486 -4.36   1.726   1   27.805 ? 96  THR   B HG22 1 c 2 
ATOM   3071 H HG23 . THR   B 1 84  ? -25.188 -4.859  3.059   1   29.032 ? 96  THR   B HG23 1 c 2 
ATOM   3072 N N    . MET   B 1 85  ? -26.167 0.114   2.265   1   28.533 ? 97  MET   B N    1 ? 2 
ATOM   3073 C CA   . MET   B 1 85  ? -25.978 1.519   2.648   1   27.975 ? 97  MET   B CA   1 ? 2 
ATOM   3074 C C    . MET   B 1 85  ? -27.307 2.225   2.9     1   30.834 ? 97  MET   B C    1 ? 2 
ATOM   3075 O O    . MET   B 1 85  ? -28.339 1.811   2.356   1   30.101 ? 97  MET   B O    1 ? 2 
ATOM   3076 C CB   . MET   B 1 85  ? -25.308 2.287   1.503   1   28.832 ? 97  MET   B CB   1 ? 2 
ATOM   3077 C CG   . MET   B 1 85  ? -23.933 1.722   1.137   1   28.747 ? 97  MET   B CG   1 ? 2 
ATOM   3078 S SD   . MET   B 1 85  ? -23.013 2.673   -0.094  1   28.248 ? 97  MET   B SD   1 ? 2 
ATOM   3079 C CE   . MET   B 1 85  ? -22.881 4.293   0.708   1   27.689 ? 97  MET   B CE   1 ? 2 
ATOM   3080 H H    . MET   B 1 85  ? -26.351 -0.084  1.392   1   28.323 ? 97  MET   B H    1 c 2 
ATOM   3081 H HA   . MET   B 1 85  ? -25.415 1.564   3.462   1   28.337 ? 97  MET   B HA   1 c 2 
ATOM   3082 H HB2  . MET   B 1 85  ? -25.89  2.253   0.715   1   28.883 ? 97  MET   B HB2  1 c 2 
ATOM   3083 H HB3  . MET   B 1 85  ? -25.212 3.226   1.768   1   29.492 ? 97  MET   B HB3  1 c 2 
ATOM   3084 H HG2  . MET   B 1 85  ? -23.39  1.664   1.948   1   28.506 ? 97  MET   B HG2  1 c 2 
ATOM   3085 H HG3  . MET   B 1 85  ? -24.048 0.814   0.797   1   27.997 ? 97  MET   B HG3  1 c 2 
ATOM   3086 H HE1  . MET   B 1 85  ? -22.377 4.898   0.134   1   27.958 ? 97  MET   B HE1  1 c 2 
ATOM   3087 H HE2  . MET   B 1 85  ? -23.773 4.658   0.855   1   28.747 ? 97  MET   B HE2  1 c 2 
ATOM   3088 H HE3  . MET   B 1 85  ? -22.422 4.197   1.563   1   28.074 ? 97  MET   B HE3  1 c 2 
ATOM   3089 N N    . LYS   B 1 86  ? -27.239 3.293   3.73    1   32.058 ? 98  LYS   B N    1 ? 2 
ATOM   3090 C CA   . LYS   B 1 86  ? -28.377 4.145   4.059   1   34.026 ? 98  LYS   B CA   1 ? 2 
ATOM   3091 C C    . LYS   B 1 86  ? -28.228 5.456   3.29    1   34.906 ? 98  LYS   B C    1 ? 2 
ATOM   3092 O O    . LYS   B 1 86  ? -27.098 5.898   3.004   1   34.426 ? 98  LYS   B O    1 ? 2 
ATOM   3093 C CB   . LYS   B 1 86  ? -28.456 4.396   5.568   1   38.219 ? 98  LYS   B CB   1 ? 2 
ATOM   3094 C CG   . LYS   B 1 86  ? -29.114 3.276   6.313   1   39.946 ? 98  LYS   B CG   1 ? 2 
ATOM   3095 C CD   . LYS   B 1 86  ? -28.281 2.079   6.689   1   44.534 ? 98  LYS   B CD   1 ? 2 
ATOM   3096 C CE   . LYS   B 1 86  ? -29.244 1.037   7.287   1   48.474 ? 98  LYS   B CE   1 ? 2 
ATOM   3097 N NZ   . LYS   B 1 86  ? -29.572 1.237   8.694   1   49.031 ? 98  LYS   B NZ   1 ? 2 
ATOM   3098 H H    . LYS   B 1 86  ? -26.431 3.495   4.106   1   31.422 ? 98  LYS   B H    1 c 2 
ATOM   3099 H HA   . LYS   B 1 86  ? -29.206 3.693   3.76    1   34.953 ? 98  LYS   B HA   1 c 2 
ATOM   3100 H HB2  . LYS   B 1 86  ? -27.549 4.52    5.922   1   37.103 ? 98  LYS   B HB2  1 c 2 
ATOM   3101 H HB3  . LYS   B 1 86  ? -28.96  5.222   5.731   1   39.116 ? 98  LYS   B HB3  1 c 2 
ATOM   3102 H HG2  . LYS   B 1 86  ? -29.489 3.652   7.137   1   41.53  ? 98  LYS   B HG2  1 c 2 
ATOM   3103 H HG3  . LYS   B 1 86  ? -29.875 2.966   5.775   1   40.959 ? 98  LYS   B HG3  1 c 2 
ATOM   3104 H HD2  . LYS   B 1 86  ? -27.841 1.707   5.894   1   42.473 ? 98  LYS   B HD2  1 c 2 
ATOM   3105 H HD3  . LYS   B 1 86  ? -27.606 2.329   7.356   1   43.451 ? 98  LYS   B HD3  1 c 2 
ATOM   3106 H HE2  . LYS   B 1 86  ? -30.072 1.03    6.774   1   48.269 ? 98  LYS   B HE2  1 c 2 
ATOM   3107 H HE3  . LYS   B 1 86  ? -28.839 0.156   7.191   1   46.813 ? 98  LYS   B HE3  1 c 2 
ATOM   3108 H HZ1  . LYS   B 1 86  ? -29.897 2.072   8.821   1   50.022 ? 98  LYS   B HZ1  1 c 2 
ATOM   3109 H HZ2  . LYS   B 1 86  ? -28.827 1.128   9.199   1   48.738 ? 98  LYS   B HZ2  1 c 2 
ATOM   3110 H HZ3  . LYS   B 1 86  ? -30.196 0.632   8.951   1   49.92  ? 98  LYS   B HZ3  1 c 2 
ATOM   3111 N N    . LYS   B 1 87  ? -29.356 6.106   2.984   1   36.491 ? 99  LYS   B N    1 ? 2 
ATOM   3112 C CA   . LYS   B 1 87  ? -29.313 7.414   2.336   1   38.103 ? 99  LYS   B CA   1 ? 2 
ATOM   3113 C C    . LYS   B 1 87  ? -28.483 8.377   3.188   1   36.592 ? 99  LYS   B C    1 ? 2 
ATOM   3114 O O    . LYS   B 1 87  ? -28.707 8.458   4.388   1   40.158 ? 99  LYS   B O    1 ? 2 
ATOM   3115 C CB   . LYS   B 1 87  ? -30.747 7.917   2.141   1   42.991 ? 99  LYS   B CB   1 ? 2 
ATOM   3116 C CG   . LYS   B 1 87  ? -30.847 9.261   1.451   1   46.662 ? 99  LYS   B CG   1 ? 2 
ATOM   3117 C CD   . LYS   B 1 87  ? -32.277 9.694   1.156   1   50.331 ? 99  LYS   B CD   1 ? 2 
ATOM   3118 C CE   . LYS   B 1 87  ? -32.266 10.92   0.291   1   52.871 ? 99  LYS   B CE   1 ? 2 
ATOM   3119 N NZ   . LYS   B 1 87  ? -33.558 11.607  0.287   1   55.922 ? 99  LYS   B NZ   1 ? 2 
ATOM   3120 H H    . LYS   B 1 87  ? -30.166 5.733   3.181   1   37.284 ? 99  LYS   B H    1 c 2 
ATOM   3121 H HA   . LYS   B 1 87  ? -28.881 7.31    1.45    1   37.167 ? 99  LYS   B HA   1 c 2 
ATOM   3122 H HB2  . LYS   B 1 87  ? -31.245 7.258   1.612   1   42.49  ? 99  LYS   B HB2  1 c 2 
ATOM   3123 H HB3  . LYS   B 1 87  ? -31.18  7.985   3.019   1   43.895 ? 99  LYS   B HB3  1 c 2 
ATOM   3124 H HG2  . LYS   B 1 87  ? -30.421 9.939   2.019   1   46.919 ? 99  LYS   B HG2  1 c 2 
ATOM   3125 H HG3  . LYS   B 1 87  ? -30.346 9.218   0.608   1   45.437 ? 99  LYS   B HG3  1 c 2 
ATOM   3126 H HD2  . LYS   B 1 87  ? -32.753 8.971   0.693   1   50.021 ? 99  LYS   B HD2  1 c 2 
ATOM   3127 H HD3  . LYS   B 1 87  ? -32.743 9.893   1.998   1   51.587 ? 99  LYS   B HD3  1 c 2 
ATOM   3128 H HE2  . LYS   B 1 87  ? -31.581 11.536  0.604   1   52.671 ? 99  LYS   B HE2  1 c 2 
ATOM   3129 H HE3  . LYS   B 1 87  ? -32.049 10.663  -0.623  1   51.775 ? 99  LYS   B HE3  1 c 2 
ATOM   3130 H HZ1  . LYS   B 1 87  ? -33.762 11.878  1.127   1   56.714 ? 99  LYS   B HZ1  1 c 2 
ATOM   3131 H HZ2  . LYS   B 1 87  ? -34.204 11.044  -0.008  1   55.916 ? 99  LYS   B HZ2  1 c 2 
ATOM   3132 H HZ3  . LYS   B 1 87  ? -33.52  12.329  -0.258  1   56.632 ? 99  LYS   B HZ3  1 c 2 
ATOM   3133 N N    . GLY   B 1 88  ? -27.514 9.068   2.567   1   37.846 ? 100 GLY   B N    1 ? 2 
ATOM   3134 C CA   . GLY   B 1 88  ? -26.626 10.003  3.249   1   36.972 ? 100 GLY   B CA   1 ? 2 
ATOM   3135 C C    . GLY   B 1 88  ? -25.307 9.356   3.66    1   35.421 ? 100 GLY   B C    1 ? 2 
ATOM   3136 O O    . GLY   B 1 88  ? -24.392 10.061  4.08    1   35.874 ? 100 GLY   B O    1 ? 2 
ATOM   3137 H H    . GLY   B 1 88  ? -27.403 8.949   1.667   1   36.389 ? 100 GLY   B H    1 c 2 
ATOM   3138 H HA2  . GLY   B 1 88  ? -26.442 10.762  2.648   1   37.829 ? 100 GLY   B HA2  1 c 2 
ATOM   3139 H HA3  . GLY   B 1 88  ? -27.081 10.356  4.048   1   38.567 ? 100 GLY   B HA3  1 c 2 
ATOM   3140 N N    . GLU   B 1 89  ? -25.216 8.031   3.564   1   34.026 ? 101 GLU   B N    1 ? 2 
ATOM   3141 C CA   . GLU   B 1 89  ? -24.022 7.303   3.976   1   31.953 ? 101 GLU   B CA   1 ? 2 
ATOM   3142 C C    . GLU   B 1 89  ? -22.888 7.543   2.992   1   31.569 ? 101 GLU   B C    1 ? 2 
ATOM   3143 O O    . GLU   B 1 89  ? -23.098 7.542   1.777   1   33.444 ? 101 GLU   B O    1 ? 2 
ATOM   3144 C CB   . GLU   B 1 89  ? -24.293 5.802   4.1     1   30.545 ? 101 GLU   B CB   1 ? 2 
ATOM   3145 C CG   . GLU   B 1 89  ? -23.163 4.976   4.677   1   29.694 ? 101 GLU   B CG   1 ? 2 
ATOM   3146 C CD   . GLU   B 1 89  ? -23.579 3.52    4.814   1   27.913 ? 101 GLU   B CD   1 ? 2 
ATOM   3147 O OE1  . GLU   B 1 89  ? -24.709 3.33    5.387   1   30.102 ? 101 GLU   B OE1  1 ? 2 
ATOM   3148 O OE2  . GLU   B 1 89  ? -22.851 2.61    4.352   1   28.526 ? 101 GLU   B OE2  1 ? 2 
ATOM   3149 H H    . GLU   B 1 89  ? -25.918 7.555   3.225   1   33.516 ? 101 GLU   B H    1 c 2 
ATOM   3150 H HA   . GLU   B 1 89  ? -23.748 7.643   4.863   1   32.685 ? 101 GLU   B HA   1 c 2 
ATOM   3151 H HB2  . GLU   B 1 89  ? -25.085 5.678   4.663   1   31.593 ? 101 GLU   B HB2  1 c 2 
ATOM   3152 H HB3  . GLU   B 1 89  ? -24.505 5.449   3.21    1   29.948 ? 101 GLU   B HB3  1 c 2 
ATOM   3153 H HG2  . GLU   B 1 89  ? -22.379 5.031   4.091   1   28.443 ? 101 GLU   B HG2  1 c 2 
ATOM   3154 H HG3  . GLU   B 1 89  ? -22.919 5.324   5.561   1   30.34  ? 101 GLU   B HG3  1 c 2 
ATOM   3155 N N    . ILE   B 1 90  ? -21.668 7.675   3.542   1   31.704 ? 102 ILE   B N    1 ? 2 
ATOM   3156 C CA   . ILE   B 1 90  ? -20.45  7.564   2.755   1   31.808 ? 102 ILE   B CA   1 ? 2 
ATOM   3157 C C    . ILE   B 1 90  ? -19.729 6.31    3.256   1   31.393 ? 102 ILE   B C    1 ? 2 
ATOM   3158 O O    . ILE   B 1 90  ? -19.52  6.176   4.473   1   30.942 ? 102 ILE   B O    1 ? 2 
ATOM   3159 C CB   . ILE   B 1 90  ? -19.576 8.825   2.849   1   33.561 ? 102 ILE   B CB   1 ? 2 
ATOM   3160 C CG1  . ILE   B 1 90  ? -20.34  10.108  2.411   1   35.87  ? 102 ILE   B CG1  1 ? 2 
ATOM   3161 C CG2  . ILE   B 1 90  ? -18.283 8.636   2.06    1   32.797 ? 102 ILE   B CG2  1 ? 2 
ATOM   3162 C CD1  . ILE   B 1 90  ? -19.526 11.394  2.494   1   37.441 ? 102 ILE   B CD1  1 ? 2 
ATOM   3163 H H    . ILE   B 1 90  ? -21.597 7.841   4.438   1   32.333 ? 102 ILE   B H    1 c 2 
ATOM   3164 H HA   . ILE   B 1 90  ? -20.696 7.433   1.823   1   31.359 ? 102 ILE   B HA   1 c 2 
ATOM   3165 H HB   . ILE   B 1 90  ? -19.331 8.94    3.789   1   34.173 ? 102 ILE   B HB   1 c 2 
ATOM   3166 H HG12 . ILE   B 1 90  ? -20.645 9.99    1.489   1   35.244 ? 102 ILE   B HG12 1 c 2 
ATOM   3167 H HG13 . ILE   B 1 90  ? -21.133 10.206  2.976   1   36.32  ? 102 ILE   B HG13 1 c 2 
ATOM   3168 H HG21 . ILE   B 1 90  ? -17.725 9.426   2.151   1   33.901 ? 102 ILE   B HG21 1 c 2 
ATOM   3169 H HG22 . ILE   B 1 90  ? -18.493 8.496   1.121   1   32.299 ? 102 ILE   B HG22 1 c 2 
ATOM   3170 H HG23 . ILE   B 1 90  ? -17.801 7.864   2.4     1   31.891 ? 102 ILE   B HG23 1 c 2 
ATOM   3171 H HD11 . ILE   B 1 90  ? -19.108 11.46   3.374   1   38.043 ? 102 ILE   B HD11 1 c 2 
ATOM   3172 H HD12 . ILE   B 1 90  ? -20.114 12.16   2.357   1   38.569 ? 102 ILE   B HD12 1 c 2 
ATOM   3173 H HD13 . ILE   B 1 90  ? -18.833 11.393  1.806   1   37.094 ? 102 ILE   B HD13 1 c 2 
ATOM   3174 N N    . ALA   B 1 91  ? -19.443 5.398   2.308   1   27.009 ? 103 ALA   B N    1 ? 2 
ATOM   3175 C CA   . ALA   B 1 91  ? -18.782 4.153   2.598   1   27.834 ? 103 ALA   B CA   1 ? 2 
ATOM   3176 C C    . ALA   B 1 91  ? -17.524 4.009   1.734   1   27.219 ? 103 ALA   B C    1 ? 2 
ATOM   3177 O O    . ALA   B 1 91  ? -17.444 4.575   0.628   1   27.276 ? 103 ALA   B O    1 ? 2 
ATOM   3178 C CB   . ALA   B 1 91  ? -19.736 2.996   2.389   1   29.138 ? 103 ALA   B CB   1 ? 2 
ATOM   3179 H H    . ALA   B 1 91  ? -19.674 5.574   1.441   1   27.565 ? 103 ALA   B H    1 c 2 
ATOM   3180 H HA   . ALA   B 1 91  ? -18.5   4.167   3.553   1   28.142 ? 103 ALA   B HA   1 c 2 
ATOM   3181 H HB1  . ALA   B 1 91  ? -20.502 3.093   2.98    1   29.359 ? 103 ALA   B HB1  1 c 2 
ATOM   3182 H HB2  . ALA   B 1 91  ? -20.042 2.987   1.466   1   28.389 ? 103 ALA   B HB2  1 c 2 
ATOM   3183 H HB3  . ALA   B 1 91  ? -19.283 2.159   2.586   1   27.905 ? 103 ALA   B HB3  1 c 2 
ATOM   3184 N N    . HIS   B 1 92  ? -16.527 3.325   2.291   1   25.611 ? 104 HIS   B N    1 ? 2 
ATOM   3185 C CA   . HIS   B 1 92  ? -15.372 2.874   1.543   1   25.403 ? 104 HIS   B CA   1 ? 2 
ATOM   3186 C C    . HIS   B 1 92  ? -15.491 1.377   1.283   1   25.63  ? 104 HIS   B C    1 ? 2 
ATOM   3187 O O    . HIS   B 1 92  ? -15.88  0.618   2.157   1   25.227 ? 104 HIS   B O    1 ? 2 
ATOM   3188 C CB   . HIS   B 1 92  ? -14.067 3.155   2.291   1   26.666 ? 104 HIS   B CB   1 ? 2 
ATOM   3189 C CG   . HIS   B 1 92  ? -13.632 4.569   2.25    1   28.785 ? 104 HIS   B CG   1 ? 2 
ATOM   3190 N ND1  . HIS   B 1 92  ? -12.498 5.034   2.906   1   29.655 ? 104 HIS   B ND1  1 ? 2 
ATOM   3191 C CD2  . HIS   B 1 92  ? -14.248 5.651   1.719   1   30.036 ? 104 HIS   B CD2  1 ? 2 
ATOM   3192 C CE1  . HIS   B 1 92  ? -12.413 6.351   2.706   1   31.515 ? 104 HIS   B CE1  1 ? 2 
ATOM   3193 N NE2  . HIS   B 1 92  ? -13.466 6.74    1.985   1   31.562 ? 104 HIS   B NE2  1 ? 2 
ATOM   3194 H H    . HIS   B 1 92  ? -16.569 3.131   3.183   1   26.163 ? 104 HIS   B H    1 c 2 
ATOM   3195 H HA   . HIS   B 1 92  ? -15.353 3.342   0.676   1   25.606 ? 104 HIS   B HA   1 c 2 
ATOM   3196 H HB2  . HIS   B 1 92  ? -14.181 2.887   3.229   1   27.043 ? 104 HIS   B HB2  1 c 2 
ATOM   3197 H HB3  . HIS   B 1 92  ? -13.358 2.595   1.908   1   26.273 ? 104 HIS   B HB3  1 c 2 
ATOM   3198 H HD1  . HIS   B 1 92  ? -11.95  4.558   3.377   0   20     ? 104 HIS   B HD1  1 c 2 
ATOM   3199 H HD2  . HIS   B 1 92  ? -15.041 5.658   1.219   1   29.475 ? 104 HIS   B HD2  1 c 2 
ATOM   3200 H HE1  . HIS   B 1 92  ? -11.726 6.91    3.023   1   32.522 ? 104 HIS   B HE1  1 c 2 
ATOM   3201 H HE2  . HIS   B 1 92  ? -13.637 7.558   1.7     0   20     ? 104 HIS   B HE2  1 c 2 
ATOM   3202 N N    . LEU   B 1 93  ? -15.275 0.974   0.02    1   25.833 ? 105 LEU   B N    1 ? 2 
ATOM   3203 C CA   . LEU   B 1 93  ? -15.196 -0.419  -0.389  1   23.47  ? 105 LEU   B CA   1 ? 2 
ATOM   3204 C C    . LEU   B 1 93  ? -13.818 -0.72   -0.959  1   24.405 ? 105 LEU   B C    1 ? 2 
ATOM   3205 O O    . LEU   B 1 93  ? -13.263 0.046   -1.779  1   25.4   ? 105 LEU   B O    1 ? 2 
ATOM   3206 C CB   . LEU   B 1 93  ? -16.233 -0.771  -1.446  1   22.757 ? 105 LEU   B CB   1 ? 2 
ATOM   3207 C CG   . LEU   B 1 93  ? -17.699 -0.526  -1.145  1   23.909 ? 105 LEU   B CG   1 ? 2 
ATOM   3208 C CD1  . LEU   B 1 93  ? -18.61  -0.912  -2.322  1   26.626 ? 105 LEU   B CD1  1 ? 2 
ATOM   3209 C CD2  . LEU   B 1 93  ? -18.141 -1.346  0.049   1   25.239 ? 105 LEU   B CD2  1 ? 2 
ATOM   3210 H H    . LEU   B 1 93  ? -15.171 1.613   -0.624  1   25.437 ? 105 LEU   B H    1 c 2 
ATOM   3211 H HA   . LEU   B 1 93  ? -15.343 -0.984  0.406   1   23.459 ? 105 LEU   B HA   1 c 2 
ATOM   3212 H HB2  . LEU   B 1 93  ? -16.005 -0.275  -2.265  1   23.084 ? 105 LEU   B HB2  1 c 2 
ATOM   3213 H HB3  . LEU   B 1 93  ? -16.124 -1.725  -1.666  1   22.397 ? 105 LEU   B HB3  1 c 2 
ATOM   3214 H HG   . LEU   B 1 93  ? -17.827 0.436   -0.94   1   24.819 ? 105 LEU   B HG   1 c 2 
ATOM   3215 H HD11 . LEU   B 1 93  ? -18.369 -0.388  -3.104  1   26.003 ? 105 LEU   B HD11 1 c 2 
ATOM   3216 H HD12 . LEU   B 1 93  ? -19.536 -0.735  -2.087  1   26.213 ? 105 LEU   B HD12 1 c 2 
ATOM   3217 H HD13 . LEU   B 1 93  ? -18.501 -1.858  -2.52   1   25.522 ? 105 LEU   B HD13 1 c 2 
ATOM   3218 H HD21 . LEU   B 1 93  ? -17.66  -1.054  0.841   1   25.374 ? 105 LEU   B HD21 1 c 2 
ATOM   3219 H HD22 . LEU   B 1 93  ? -17.954 -2.286  -0.115  1   24.588 ? 105 LEU   B HD22 1 c 2 
ATOM   3220 H HD23 . LEU   B 1 93  ? -19.095 -1.227  0.189   1   25.186 ? 105 LEU   B HD23 1 c 2 
ATOM   3221 N N    . LEU   B 1 94  ? -13.319 -1.874  -0.58   1   23.591 ? 106 LEU   B N    1 ? 2 
ATOM   3222 C CA   . LEU   B 1 94  ? -12.155 -2.466  -1.202  1   24.524 ? 106 LEU   B CA   1 ? 2 
ATOM   3223 C C    . LEU   B 1 94  ? -12.555 -3.839  -1.731  1   25.003 ? 106 LEU   B C    1 ? 2 
ATOM   3224 O O    . LEU   B 1 94  ? -13.163 -4.638  -1.017  1   22.673 ? 106 LEU   B O    1 ? 2 
ATOM   3225 C CB   . LEU   B 1 94  ? -10.995 -2.576  -0.221  1   24.716 ? 106 LEU   B CB   1 ? 2 
ATOM   3226 C CG   . LEU   B 1 94  ? -9.65   -2.999  -0.832  1   25.209 ? 106 LEU   B CG   1 ? 2 
ATOM   3227 C CD1  . LEU   B 1 94  ? -9.049  -1.892  -1.664  1   26.693 ? 106 LEU   B CD1  1 ? 2 
ATOM   3228 C CD2  . LEU   B 1 94  ? -8.615  -3.425  0.187   1   26.699 ? 106 LEU   B CD2  1 ? 2 
ATOM   3229 H H    . LEU   B 1 94  ? -13.716 -2.324  0.109   1   23.616 ? 106 LEU   B H    1 c 2 
ATOM   3230 H HA   . LEU   B 1 94  ? -11.883 -1.898  -1.964  1   24.624 ? 106 LEU   B HA   1 c 2 
ATOM   3231 H HB2  . LEU   B 1 94  ? -10.876 -1.7    0.215   1   25.297 ? 106 LEU   B HB2  1 c 2 
ATOM   3232 H HB3  . LEU   B 1 94  ? -11.24  -3.229  0.475   1   24.891 ? 106 LEU   B HB3  1 c 2 
ATOM   3233 H HG   . LEU   B 1 94  ? -9.815  -3.771  -1.432  1   25.013 ? 106 LEU   B HG   1 c 2 
ATOM   3234 H HD11 . LEU   B 1 94  ? -9.656  -1.661  -2.386  1   26.101 ? 106 LEU   B HD11 1 c 2 
ATOM   3235 H HD12 . LEU   B 1 94  ? -8.203  -2.189  -2.038  1   27.024 ? 106 LEU   B HD12 1 c 2 
ATOM   3236 H HD13 . LEU   B 1 94  ? -8.9    -1.111  -1.106  1   27.103 ? 106 LEU   B HD13 1 c 2 
ATOM   3237 H HD21 . LEU   B 1 94  ? -8.952  -4.182  0.695   1   26.318 ? 106 LEU   B HD21 1 c 2 
ATOM   3238 H HD22 . LEU   B 1 94  ? -8.432  -2.687  0.792   1   27.094 ? 106 LEU   B HD22 1 c 2 
ATOM   3239 H HD23 . LEU   B 1 94  ? -7.795  -3.681  -0.268  1   26.868 ? 106 LEU   B HD23 1 c 2 
ATOM   3240 N N    . ILE   B 1 95  ? -12.219 -4.1    -3.024  1   23.089 ? 107 ILE   B N    1 ? 2 
ATOM   3241 C CA   . ILE   B 1 95  ? -12.87  -5.129  -3.808  1   20.977 ? 107 ILE   B CA   1 ? 2 
ATOM   3242 C C    . ILE   B 1 95  ? -11.839 -5.999  -4.53   1   22.958 ? 107 ILE   B C    1 ? 2 
ATOM   3243 O O    . ILE   B 1 95  ? -11.025 -5.496  -5.305  1   25.598 ? 107 ILE   B O    1 ? 2 
ATOM   3244 C CB   . ILE   B 1 95  ? -13.809 -4.481  -4.824  1   21.607 ? 107 ILE   B CB   1 ? 2 
ATOM   3245 C CG1  . ILE   B 1 95  ? -14.884 -3.55   -4.114  1   21.965 ? 107 ILE   B CG1  1 ? 2 
ATOM   3246 C CG2  . ILE   B 1 95  ? -14.428 -5.553  -5.687  1   23.129 ? 107 ILE   B CG2  1 ? 2 
ATOM   3247 C CD1  . ILE   B 1 95  ? -15.496 -2.533  -5.083  1   23.353 ? 107 ILE   B CD1  1 ? 2 
ATOM   3248 H H    . ILE   B 1 95  ? -11.553 -3.611  -3.415  1   23.222 ? 107 ILE   B H    1 c 2 
ATOM   3249 H HA   . ILE   B 1 95  ? -13.398 -5.691  -3.212  1   21.32  ? 107 ILE   B HA   1 c 2 
ATOM   3250 H HB   . ILE   B 1 95  ? -13.265 -3.912  -5.404  1   22.008 ? 107 ILE   B HB   1 c 2 
ATOM   3251 H HG12 . ILE   B 1 95  ? -15.596 -4.109  -3.742  1   22.055 ? 107 ILE   B HG12 1 c 2 
ATOM   3252 H HG13 . ILE   B 1 95  ? -14.458 -3.068  -3.378  1   21.904 ? 107 ILE   B HG13 1 c 2 
ATOM   3253 H HG21 . ILE   B 1 95  ? -15.146 -5.168  -6.217  1   22.88  ? 107 ILE   B HG21 1 c 2 
ATOM   3254 H HG22 . ILE   B 1 95  ? -14.787 -6.258  -5.123  1   22.58  ? 107 ILE   B HG22 1 c 2 
ATOM   3255 H HG23 . ILE   B 1 95  ? -13.756 -5.924  -6.281  1   22.89  ? 107 ILE   B HG23 1 c 2 
ATOM   3256 H HD11 . ILE   B 1 95  ? -14.785 -1.982  -5.46   1   23.304 ? 107 ILE   B HD11 1 c 2 
ATOM   3257 H HD12 . ILE   B 1 95  ? -16.129 -1.964  -4.606  1   23.015 ? 107 ILE   B HD12 1 c 2 
ATOM   3258 H HD13 . ILE   B 1 95  ? -15.958 -3      -5.804  1   23.17  ? 107 ILE   B HD13 1 c 2 
ATOM   3259 N N    . LYS   B 1 96  ? -11.872 -7.287  -4.264  1   21.722 ? 108 LYS   B N    1 ? 2 
ATOM   3260 C CA   . LYS   B 1 96  ? -11.037 -8.28   -4.938  1   22.034 ? 108 LYS   B CA   1 ? 2 
ATOM   3261 C C    . LYS   B 1 96  ? -11.554 -8.46   -6.352  1   22.295 ? 108 LYS   B C    1 ? 2 
ATOM   3262 O O    . LYS   B 1 96  ? -12.72  -8.222  -6.65   1   21.792 ? 108 LYS   B O    1 ? 2 
ATOM   3263 C CB   . LYS   B 1 96  ? -10.982 -9.621  -4.205  1   25.088 ? 108 LYS   B CB   1 ? 2 
ATOM   3264 C CG   . LYS   B 1 96  ? -10.19  -9.598  -2.926  1   26.43  ? 108 LYS   B CG   1 ? 2 
ATOM   3265 C CD   . LYS   B 1 96  ? -10.245 -10.958 -2.236  1   26.342 ? 108 LYS   B CD   1 ? 2 
ATOM   3266 C CE   . LYS   B 1 96  ? -9.519  -10.957 -0.903  1   29.437 ? 108 LYS   B CE   1 ? 2 
ATOM   3267 N NZ   . LYS   B 1 96  ? -9.597  -12.36  -0.456  1   34.685 ? 108 LYS   B NZ   1 ? 2 
ATOM   3268 H H    . LYS   B 1 96  ? -12.448 -7.582  -3.618  1   21.84  ? 108 LYS   B H    1 c 2 
ATOM   3269 H HA   . LYS   B 1 96  ? -10.116 -7.919  -4.982  1   23.082 ? 108 LYS   B HA   1 c 2 
ATOM   3270 H HB2  . LYS   B 1 96  ? -11.898 -9.904  -3.997  1   24.29  ? 108 LYS   B HB2  1 c 2 
ATOM   3271 H HB3  . LYS   B 1 96  ? -10.591 -10.295 -4.799  1   25.101 ? 108 LYS   B HB3  1 c 2 
ATOM   3272 H HG2  . LYS   B 1 96  ? -9.257  -9.37   -3.13   1   26.728 ? 108 LYS   B HG2  1 c 2 
ATOM   3273 H HG3  . LYS   B 1 96  ? -10.559 -8.91   -2.33   1   25.831 ? 108 LYS   B HG3  1 c 2 
ATOM   3274 H HD2  . LYS   B 1 96  ? -11.182 -11.21  -2.092  1   26.54  ? 108 LYS   B HD2  1 c 2 
ATOM   3275 H HD3  . LYS   B 1 96  ? -9.837  -11.63  -2.824  1   27.173 ? 108 LYS   B HD3  1 c 2 
ATOM   3276 H HE2  . LYS   B 1 96  ? -8.588  -10.69  -1.01   1   29.712 ? 108 LYS   B HE2  1 c 2 
ATOM   3277 H HE3  . LYS   B 1 96  ? -9.957  -10.373 -0.259  1   29.142 ? 108 LYS   B HE3  1 c 2 
ATOM   3278 H HZ1  . LYS   B 1 96  ? -9.162  -12.899 -1.04   1   33.698 ? 108 LYS   B HZ1  1 c 2 
ATOM   3279 H HZ2  . LYS   B 1 96  ? -10.463 -12.621 -0.395  1   32.873 ? 108 LYS   B HZ2  1 c 2 
ATOM   3280 H HZ3  . LYS   B 1 96  ? -9.209  -12.438 0.359   1   33.942 ? 108 LYS   B HZ3  1 c 2 
ATOM   3281 N N    . PRO   B 1 97  ? -10.668 -8.915  -7.261  1   22.349 ? 109 PRO   B N    1 ? 2 
ATOM   3282 C CA   . PRO   B 1 97  ? -11.067 -8.988  -8.663  1   22.843 ? 109 PRO   B CA   1 ? 2 
ATOM   3283 C C    . PRO   B 1 97  ? -12.259 -9.879  -8.93   1   23.179 ? 109 PRO   B C    1 ? 2 
ATOM   3284 O O    . PRO   B 1 97  ? -13.033 -9.626  -9.858  1   23.148 ? 109 PRO   B O    1 ? 2 
ATOM   3285 C CB   . PRO   B 1 97  ? -9.815  -9.48   -9.354  1   24.559 ? 109 PRO   B CB   1 ? 2 
ATOM   3286 C CG   . PRO   B 1 97  ? -8.729  -9.71   -8.322  1   25.774 ? 109 PRO   B CG   1 ? 2 
ATOM   3287 C CD   . PRO   B 1 97  ? -9.232  -9.112  -7.02   1   24.357 ? 109 PRO   B CD   1 ? 2 
ATOM   3288 H HA   . PRO   B 1 97  ? -11.269 -8.084  -8.982  1   22.983 ? 109 PRO   B HA   1 c 2 
ATOM   3289 H HB2  . PRO   B 1 97  ? -10     -10.31  -9.836  1   24.822 ? 109 PRO   B HB2  1 c 2 
ATOM   3290 H HB3  . PRO   B 1 97  ? -9.517  -8.825  -10.014 1   24.702 ? 109 PRO   B HB3  1 c 2 
ATOM   3291 H HG2  . PRO   B 1 97  ? -8.558  -10.666 -8.211  1   25.798 ? 109 PRO   B HG2  1 c 2 
ATOM   3292 H HG3  . PRO   B 1 97  ? -7.898  -9.276  -8.594  1   26.08  ? 109 PRO   B HG3  1 c 2 
ATOM   3293 H HD2  . PRO   B 1 97  ? -9.085  -9.723  -6.274  1   24.063 ? 109 PRO   B HD2  1 c 2 
ATOM   3294 H HD3  . PRO   B 1 97  ? -8.794  -8.26   -6.83   1   24.349 ? 109 PRO   B HD3  1 c 2 
ATOM   3295 N N    . GLU   B 1 98  ? -12.464 -10.898 -8.088  1   23.937 ? 110 GLU   B N    1 ? 2 
ATOM   3296 C CA   . GLU   B 1 98  ? -13.59  -11.786 -8.276  1   25.696 ? 110 GLU   B CA   1 ? 2 
ATOM   3297 C C    . GLU   B 1 98  ? -14.94  -11.055 -8.19   1   23.921 ? 110 GLU   B C    1 ? 2 
ATOM   3298 O O    . GLU   B 1 98  ? -15.942 -11.558 -8.714  1   25.072 ? 110 GLU   B O    1 ? 2 
ATOM   3299 C CB   . GLU   B 1 98  ? -13.574 -12.937 -7.276  1   27.738 ? 110 GLU   B CB   1 ? 2 
ATOM   3300 C CG   . GLU   B 1 98  ? -12.437 -13.934 -7.373  1   32.231 ? 110 GLU   B CG   1 ? 2 
ATOM   3301 C CD   . GLU   B 1 98  ? -11.018 -13.524 -6.972  1   32.352 ? 110 GLU   B CD   1 ? 2 
ATOM   3302 O OE1  . GLU   B 1 98  ? -10.843 -12.487 -6.258  1   27.074 ? 110 GLU   B OE1  1 ? 2 
ATOM   3303 O OE2  . GLU   B 1 98  ? -10.087 -14.224 -7.522  1   36.302 ? 110 GLU   B OE2  1 ? 2 
ATOM   3304 H H    . GLU   B 1 98  ? -11.895 -11.039 -7.388  1   24.308 ? 110 GLU   B H    1 c 2 
ATOM   3305 H HA   . GLU   B 1 98  ? -13.515 -12.179 -9.183  1   25.779 ? 110 GLU   B HA   1 c 2 
ATOM   3306 H HB2  . GLU   B 1 98  ? -13.558 -12.557 -6.373  1   27.796 ? 110 GLU   B HB2  1 c 2 
ATOM   3307 H HB3  . GLU   B 1 98  ? -14.412 -13.437 -7.367  1   28.176 ? 110 GLU   B HB3  1 c 2 
ATOM   3308 H HG2  . GLU   B 1 98  ? -12.678 -14.716 -6.831  1   31.817 ? 110 GLU   B HG2  1 c 2 
ATOM   3309 H HG3  . GLU   B 1 98  ? -12.398 -14.252 -8.3    1   31.777 ? 110 GLU   B HG3  1 c 2 
ATOM   3310 N N    . TYR   B 1 99  ? -14.989 -9.897  -7.515  1   24.095 ? 111 TYR   B N    1 ? 2 
ATOM   3311 C CA   . TYR   B 1 99  ? -16.218 -9.115  -7.371  1   22.554 ? 111 TYR   B CA   1 ? 2 
ATOM   3312 C C    . TYR   B 1 99  ? -16.163 -7.827  -8.2    1   23.338 ? 111 TYR   B C    1 ? 2 
ATOM   3313 O O    . TYR   B 1 99  ? -16.981 -6.915  -8.053  1   23.062 ? 111 TYR   B O    1 ? 2 
ATOM   3314 C CB   . TYR   B 1 99  ? -16.485 -8.805  -5.884  1   23.351 ? 111 TYR   B CB   1 ? 2 
ATOM   3315 C CG   . TYR   B 1 99  ? -16.814 -10.058 -5.085  1   23.833 ? 111 TYR   B CG   1 ? 2 
ATOM   3316 C CD1  . TYR   B 1 99  ? -15.779 -10.839 -4.529  1   23.608 ? 111 TYR   B CD1  1 ? 2 
ATOM   3317 C CD2  . TYR   B 1 99  ? -18.123 -10.505 -4.908  1   23.881 ? 111 TYR   B CD2  1 ? 2 
ATOM   3318 C CE1  . TYR   B 1 99  ? -16.034 -12.016 -3.872  1   23.75  ? 111 TYR   B CE1  1 ? 2 
ATOM   3319 C CE2  . TYR   B 1 99  ? -18.371 -11.679 -4.218  1   23.655 ? 111 TYR   B CE2  1 ? 2 
ATOM   3320 C CZ   . TYR   B 1 99  ? -17.335 -12.439 -3.712  1   23.611 ? 111 TYR   B CZ   1 ? 2 
ATOM   3321 O OH   . TYR   B 1 99  ? -17.587 -13.569 -2.968  1   25.732 ? 111 TYR   B OH   1 ? 2 
ATOM   3322 H H    . TYR   B 1 99  ? -14.23  -9.587  -7.111  1   23.434 ? 111 TYR   B H    1 c 2 
ATOM   3323 H HA   . TYR   B 1 99  ? -16.975 -9.664  -7.707  1   23.338 ? 111 TYR   B HA   1 c 2 
ATOM   3324 H HB2  . TYR   B 1 99  ? -15.688 -8.378  -5.501  1   23.327 ? 111 TYR   B HB2  1 c 2 
ATOM   3325 H HB3  . TYR   B 1 99  ? -17.238 -8.177  -5.82   1   23.253 ? 111 TYR   B HB3  1 c 2 
ATOM   3326 H HD1  . TYR   B 1 99  ? -14.882 -10.574 -4.663  1   23.315 ? 111 TYR   B HD1  1 c 2 
ATOM   3327 H HD2  . TYR   B 1 99  ? -18.842 -10.013 -5.271  1   23.763 ? 111 TYR   B HD2  1 c 2 
ATOM   3328 H HE1  . TYR   B 1 99  ? -15.326 -12.512 -3.496  1   24.023 ? 111 TYR   B HE1  1 c 2 
ATOM   3329 H HE2  . TYR   B 1 99  ? -19.26  -11.966 -4.093  1   24.297 ? 111 TYR   B HE2  1 c 2 
ATOM   3330 H HH   . TYR   B 1 99  ? -16.87  -13.913 -2.683  0   20     ? 111 TYR   B HH   1 c 2 
ATOM   3331 N N    . ALA   B 1 100 ? -15.194 -7.785  -9.124  1   23.941 ? 112 ALA   B N    1 ? 2 
ATOM   3332 C CA   . ALA   B 1 100 ? -15.055 -6.639  -10.019 1   23.702 ? 112 ALA   B CA   1 ? 2 
ATOM   3333 C C    . ALA   B 1 100 ? -14.845 -7.181  -11.43  1   23.85  ? 112 ALA   B C    1 ? 2 
ATOM   3334 O O    . ALA   B 1 100 ? -15.806 -7.679  -12     1   25.228 ? 112 ALA   B O    1 ? 2 
ATOM   3335 C CB   . ALA   B 1 100 ? -13.947 -5.714  -9.548  1   23.956 ? 112 ALA   B CB   1 ? 2 
ATOM   3336 H H    . ALA   B 1 100 ? -14.609 -8.481  -9.206  1   23.87  ? 112 ALA   B H    1 c 2 
ATOM   3337 H HA   . ALA   B 1 100 ? -15.912 -6.135  -10.014 1   23.691 ? 112 ALA   B HA   1 c 2 
ATOM   3338 H HB1  . ALA   B 1 100 ? -14.221 -5.268  -8.729  1   23.343 ? 112 ALA   B HB1  1 c 2 
ATOM   3339 H HB2  . ALA   B 1 100 ? -13.141 -6.229  -9.375  1   24.052 ? 112 ALA   B HB2  1 c 2 
ATOM   3340 H HB3  . ALA   B 1 100 ? -13.763 -5.046  -10.23  1   24.096 ? 112 ALA   B HB3  1 c 2 
ATOM   3341 N N    . TYR   B 1 101 ? -13.628 -7.089  -11.987 1   22.692 ? 113 TYR   B N    1 ? 2 
ATOM   3342 C CA   . TYR   B 1 101 ? -13.423 -7.461  -13.396 1   24.282 ? 113 TYR   B CA   1 ? 2 
ATOM   3343 C C    . TYR   B 1 101 ? -12.56  -8.685  -13.615 1   24.931 ? 113 TYR   B C    1 ? 2 
ATOM   3344 O O    . TYR   B 1 101 ? -12.175 -9.004  -14.762 1   25.136 ? 113 TYR   B O    1 ? 2 
ATOM   3345 C CB   . TYR   B 1 101 ? -12.819 -6.246  -14.091 1   23.089 ? 113 TYR   B CB   1 ? 2 
ATOM   3346 C CG   . TYR   B 1 101 ? -13.725 -5.036  -14.066 1   24.67  ? 113 TYR   B CG   1 ? 2 
ATOM   3347 C CD1  . TYR   B 1 101 ? -14.769 -4.888  -14.994 1   24.464 ? 113 TYR   B CD1  1 ? 2 
ATOM   3348 C CD2  . TYR   B 1 101 ? -13.544 -4.015  -13.143 1   25.166 ? 113 TYR   B CD2  1 ? 2 
ATOM   3349 C CE1  . TYR   B 1 101 ? -15.603 -3.783  -14.973 1   24.086 ? 113 TYR   B CE1  1 ? 2 
ATOM   3350 C CE2  . TYR   B 1 101 ? -14.403 -2.913  -13.094 1   24.535 ? 113 TYR   B CE2  1 ? 2 
ATOM   3351 C CZ   . TYR   B 1 101 ? -15.435 -2.789  -14.017 1   24.888 ? 113 TYR   B CZ   1 ? 2 
ATOM   3352 O OH   . TYR   B 1 101 ? -16.303 -1.701  -14.012 1   25.924 ? 113 TYR   B OH   1 ? 2 
ATOM   3353 H H    . TYR   B 1 101 ? -12.913 -6.804  -11.495 1   22.988 ? 113 TYR   B H    1 c 2 
ATOM   3354 H HA   . TYR   B 1 101 ? -14.312 -7.636  -13.805 1   24.13  ? 113 TYR   B HA   1 c 2 
ATOM   3355 H HB2  . TYR   B 1 101 ? -11.97  -6.021  -13.649 1   23.745 ? 113 TYR   B HB2  1 c 2 
ATOM   3356 H HB3  . TYR   B 1 101 ? -12.625 -6.48   -15.026 1   24.126 ? 113 TYR   B HB3  1 c 2 
ATOM   3357 H HD1  . TYR   B 1 101 ? -14.909 -5.559  -15.642 1   24.775 ? 113 TYR   B HD1  1 c 2 
ATOM   3358 H HD2  . TYR   B 1 101 ? -12.861 -4.094  -12.497 1   24.689 ? 113 TYR   B HD2  1 c 2 
ATOM   3359 H HE1  . TYR   B 1 101 ? -16.307 -3.717  -15.595 1   24.747 ? 113 TYR   B HE1  1 c 2 
ATOM   3360 H HE2  . TYR   B 1 101 ? -14.269 -2.24   -12.449 1   24.504 ? 113 TYR   B HE2  1 c 2 
ATOM   3361 H HH   . TYR   B 1 101 ? -16.865 -1.78   -14.64  0   20     ? 113 TYR   B HH   1 c 2 
ATOM   3362 N N    . GLY   B 1 102 ? -12.227 -9.42   -12.561 1   22.913 ? 114 GLY   B N    1 ? 2 
ATOM   3363 C CA   . GLY   B 1 102 ? -11.69  -10.773 -12.716 1   24.744 ? 114 GLY   B CA   1 ? 2 
ATOM   3364 C C    . GLY   B 1 102 ? -10.323 -10.869 -13.389 1   24.209 ? 114 GLY   B C    1 ? 2 
ATOM   3365 O O    . GLY   B 1 102 ? -9.563  -9.898  -13.466 1   23.493 ? 114 GLY   B O    1 ? 2 
ATOM   3366 H H    . GLY   B 1 102 ? -12.327 -9.079  -11.72  1   22.65  ? 114 GLY   B H    1 c 2 
ATOM   3367 H HA2  . GLY   B 1 102 ? -11.631 -11.186 -11.822 1   24.255 ? 114 GLY   B HA2  1 c 2 
ATOM   3368 H HA3  . GLY   B 1 102 ? -12.338 -11.302 -13.238 1   24.464 ? 114 GLY   B HA3  1 c 2 
ATOM   3369 N N    . SER   B 1 103 ? -10.064 -12.058 -13.932 1   25.581 ? 115 SER   B N    1 ? 2 
ATOM   3370 C CA   . SER   B 1 103 ? -8.772  -12.351 -14.553 1   26.995 ? 115 SER   B CA   1 ? 2 
ATOM   3371 C C    . SER   B 1 103 ? -8.698  -11.657 -15.909 1   26     ? 115 SER   B C    1 ? 2 
ATOM   3372 O O    . SER   B 1 103 ? -7.626  -11.251 -16.31  1   26.839 ? 115 SER   B O    1 ? 2 
ATOM   3373 C CB   . SER   B 1 103 ? -8.513  -13.808 -14.638 1   31.506 ? 115 SER   B CB   1 ? 2 
ATOM   3374 O OG   . SER   B 1 103 ? -9.549  -14.46  -15.336 1   35.047 ? 115 SER   B OG   1 ? 2 
ATOM   3375 H H    . SER   B 1 103 ? -10.705 -12.709 -13.919 1   25.582 ? 115 SER   B H    1 c 2 
ATOM   3376 H HA   . SER   B 1 103 ? -8.069  -11.955 -13.981 1   26.925 ? 115 SER   B HA   1 c 2 
ATOM   3377 H HB2  . SER   B 1 103 ? -7.665  -13.961 -15.097 1   32.076 ? 115 SER   B HB2  1 c 2 
ATOM   3378 H HB3  . SER   B 1 103 ? -8.445  -14.178 -13.737 1   30.896 ? 115 SER   B HB3  1 c 2 
ATOM   3379 H HG   . SER   B 1 103 ? -9.374  -15.31  -15.397 0   20     ? 115 SER   B HG   1 c 2 
ATOM   3380 N N    . ALA   B 1 104 ? -9.833  -11.497 -16.59  1   25.508 ? 116 ALA   B N    1 ? 2 
ATOM   3381 C CA   . ALA   B 1 104 ? -9.801  -10.837 -17.898 1   27.224 ? 116 ALA   B CA   1 ? 2 
ATOM   3382 C C    . ALA   B 1 104 ? -9.559  -9.335  -17.792 1   26.163 ? 116 ALA   B C    1 ? 2 
ATOM   3383 O O    . ALA   B 1 104 ? -8.97   -8.741  -18.716 1   27.702 ? 116 ALA   B O    1 ? 2 
ATOM   3384 C CB   . ALA   B 1 104 ? -11.104 -11.086 -18.621 1   30.284 ? 116 ALA   B CB   1 ? 2 
ATOM   3385 H H    . ALA   B 1 104 ? -10.628 -11.799 -16.255 1   25.1   ? 116 ALA   B H    1 c 2 
ATOM   3386 H HA   . ALA   B 1 104 ? -9.057  -11.235 -18.429 1   28.345 ? 116 ALA   B HA   1 c 2 
ATOM   3387 H HB1  . ALA   B 1 104 ? -11.22  -12.04  -18.766 1   30.088 ? 116 ALA   B HB1  1 c 2 
ATOM   3388 H HB2  . ALA   B 1 104 ? -11.843 -10.75  -18.087 1   28.841 ? 116 ALA   B HB2  1 c 2 
ATOM   3389 H HB3  . ALA   B 1 104 ? -11.093 -10.629 -19.478 1   30.379 ? 116 ALA   B HB3  1 c 2 
ATOM   3390 N N    . GLY   B 1 105 ? -9.945  -8.708  -16.672 1   26.11  ? 117 GLY   B N    1 ? 2 
ATOM   3391 C CA   . GLY   B 1 105 ? -9.945  -7.254  -16.562 1   23.925 ? 117 GLY   B CA   1 ? 2 
ATOM   3392 C C    . GLY   B 1 105 ? -10.93  -6.594  -17.516 1   26.348 ? 117 GLY   B C    1 ? 2 
ATOM   3393 O O    . GLY   B 1 105 ? -11.801 -7.257  -18.058 1   26.182 ? 117 GLY   B O    1 ? 2 
ATOM   3394 H H    . GLY   B 1 105 ? -10.22  -9.201  -15.954 1   24.899 ? 117 GLY   B H    1 c 2 
ATOM   3395 H HA2  . GLY   B 1 105 ? -10.174 -7.006  -15.636 1   23.499 ? 117 GLY   B HA2  1 c 2 
ATOM   3396 H HA3  . GLY   B 1 105 ? -9.037  -6.919  -16.747 1   25.368 ? 117 GLY   B HA3  1 c 2 
ATOM   3397 N N    . SER   B 1 106 ? -10.751 -5.293  -17.72  1   26.154 ? 118 SER   B N    1 ? 2 
ATOM   3398 C CA   . SER   B 1 106 ? -11.54  -4.512  -18.66  1   27.122 ? 118 SER   B CA   1 ? 2 
ATOM   3399 C C    . SER   B 1 106 ? -10.664 -3.372  -19.174 1   28.207 ? 118 SER   B C    1 ? 2 
ATOM   3400 O O    . SER   B 1 106 ? -10.78  -2.211  -18.769 1   28.282 ? 118 SER   B O    1 ? 2 
ATOM   3401 C CB   . SER   B 1 106 ? -12.798 -4      -17.985 1   26.484 ? 118 SER   B CB   1 ? 2 
ATOM   3402 O OG   . SER   B 1 106 ? -13.7   -3.481  -18.95  1   28.259 ? 118 SER   B OG   1 ? 2 
ATOM   3403 H H    . SER   B 1 106 ? -10.097 -4.865  -17.245 1   26.302 ? 118 SER   B H    1 c 2 
ATOM   3404 H HA   . SER   B 1 106 ? -11.795 -5.09   -19.424 1   27.64  ? 118 SER   B HA   1 c 2 
ATOM   3405 H HB2  . SER   B 1 106 ? -13.226 -4.731  -17.5   1   25.633 ? 118 SER   B HB2  1 c 2 
ATOM   3406 H HB3  . SER   B 1 106 ? -12.565 -3.302  -17.345 1   26.361 ? 118 SER   B HB3  1 c 2 
ATOM   3407 H HG   . SER   B 1 106 ? -14.404 -3.202  -18.571 0   20     ? 118 SER   B HG   1 c 2 
ATOM   3408 N N    . LEU   B 1 107 ? -9.748  -3.731  -20.082 1   29.133 ? 119 LEU   B N    1 ? 2 
ATOM   3409 C CA   . LEU   B 1 107 ? -8.784  -2.785  -20.601 1   31.334 ? 119 LEU   B CA   1 ? 2 
ATOM   3410 C C    . LEU   B 1 107 ? -9.496  -1.762  -21.485 1   32.546 ? 119 LEU   B C    1 ? 2 
ATOM   3411 O O    . LEU   B 1 107 ? -10.464 -2.076  -22.172 1   31.714 ? 119 LEU   B O    1 ? 2 
ATOM   3412 C CB   . LEU   B 1 107 ? -7.661  -3.48   -21.367 1   32.31  ? 119 LEU   B CB   1 ? 2 
ATOM   3413 C CG   . LEU   B 1 107 ? -6.643  -4.28   -20.541 1   32.398 ? 119 LEU   B CG   1 ? 2 
ATOM   3414 C CD1  . LEU   B 1 107 ? -5.661  -5.015  -21.436 1   33.436 ? 119 LEU   B CD1  1 ? 2 
ATOM   3415 C CD2  . LEU   B 1 107 ? -5.874  -3.411  -19.562 1   33.825 ? 119 LEU   B CD2  1 ? 2 
ATOM   3416 H H    . LEU   B 1 107 ? -9.728  -4.593  -20.384 1   29.511 ? 119 LEU   B H    1 c 2 
ATOM   3417 H HA   . LEU   B 1 107 ? -8.394  -2.308  -19.829 1   30.827 ? 119 LEU   B HA   1 c 2 
ATOM   3418 H HB2  . LEU   B 1 107 ? -8.071  -4.09   -22.022 1   32.819 ? 119 LEU   B HB2  1 c 2 
ATOM   3419 H HB3  . LEU   B 1 107 ? -7.171  -2.798  -21.88  1   33.832 ? 119 LEU   B HB3  1 c 2 
ATOM   3420 H HG   . LEU   B 1 107 ? -7.142  -4.959  -20.016 1   31.117 ? 119 LEU   B HG   1 c 2 
ATOM   3421 H HD11 . LEU   B 1 107 ? -6.149  -5.584  -22.055 1   33.635 ? 119 LEU   B HD11 1 c 2 
ATOM   3422 H HD12 . LEU   B 1 107 ? -5.071  -5.561  -20.891 1   33.284 ? 119 LEU   B HD12 1 c 2 
ATOM   3423 H HD13 . LEU   B 1 107 ? -5.134  -4.371  -21.938 1   34.936 ? 119 LEU   B HD13 1 c 2 
ATOM   3424 H HD21 . LEU   B 1 107 ? -6.483  -3.054  -18.895 1   32.431 ? 119 LEU   B HD21 1 c 2 
ATOM   3425 H HD22 . LEU   B 1 107 ? -5.453  -2.677  -20.041 1   34.745 ? 119 LEU   B HD22 1 c 2 
ATOM   3426 H HD23 . LEU   B 1 107 ? -5.191  -3.944  -19.123 1   33.433 ? 119 LEU   B HD23 1 c 2 
ATOM   3427 N N    . PRO   B 1 108 ? -8.99   -0.517  -21.555 1   33.828 ? 120 PRO   B N    1 ? 2 
ATOM   3428 C CA   . PRO   B 1 108 ? -7.727  -0.128  -20.934 1   34.265 ? 120 PRO   B CA   1 ? 2 
ATOM   3429 C C    . PRO   B 1 108 ? -7.79   0.321   -19.483 1   34.011 ? 120 PRO   B C    1 ? 2 
ATOM   3430 O O    . PRO   B 1 108 ? -6.75   0.499   -18.86  1   35.483 ? 120 PRO   B O    1 ? 2 
ATOM   3431 C CB   . PRO   B 1 108 ? -7.299  1.074   -21.765 1   37.274 ? 120 PRO   B CB   1 ? 2 
ATOM   3432 C CG   . PRO   B 1 108 ? -8.607  1.653   -22.232 1   37.253 ? 120 PRO   B CG   1 ? 2 
ATOM   3433 C CD   . PRO   B 1 108 ? -9.545  0.523   -22.42  1   35.666 ? 120 PRO   B CD   1 ? 2 
ATOM   3434 H HA   . PRO   B 1 108 ? -7.069  -0.845  -21.031 1   34.809 ? 120 PRO   B HA   1 c 2 
ATOM   3435 H HB2  . PRO   B 1 108 ? -6.801  1.719   -21.226 1   37.475 ? 120 PRO   B HB2  1 c 2 
ATOM   3436 H HB3  . PRO   B 1 108 ? -6.748  0.797   -22.523 1   38.472 ? 120 PRO   B HB3  1 c 2 
ATOM   3437 H HG2  . PRO   B 1 108 ? -8.96   2.278   -21.567 1   36.662 ? 120 PRO   B HG2  1 c 2 
ATOM   3438 H HG3  . PRO   B 1 108 ? -8.485  2.135   -23.074 1   38.728 ? 120 PRO   B HG3  1 c 2 
ATOM   3439 H HD2  . PRO   B 1 108 ? -10.45  0.761   -22.14  1   34.974 ? 120 PRO   B HD2  1 c 2 
ATOM   3440 H HD3  . PRO   B 1 108 ? -9.562  0.226   -23.351 1   36.525 ? 120 PRO   B HD3  1 c 2 
ATOM   3441 N N    A LYS   B 1 109 ? -8.997  0.566   -18.97  0.5 32.096 ? 121 LYS   B N    1 ? 2 
ATOM   3442 N N    B LYS   B 1 109 ? -8.997  0.555   -18.966 0.5 32.158 ? 121 LYS   B N    1 ? 2 
ATOM   3443 C CA   A LYS   B 1 109 ? -9.104  1.176   -17.654 0.5 32.895 ? 121 LYS   B CA   1 ? 2 
ATOM   3444 C CA   B LYS   B 1 109 ? -9.122  1.182   -17.659 0.5 33.277 ? 121 LYS   B CA   1 ? 2 
ATOM   3445 C C    A LYS   B 1 109 ? -8.654  0.204   -16.57  0.5 31.063 ? 121 LYS   B C    1 ? 2 
ATOM   3446 C C    B LYS   B 1 109 ? -8.764  0.228   -16.521 0.5 31.098 ? 121 LYS   B C    1 ? 2 
ATOM   3447 O O    A LYS   B 1 109 ? -7.987  0.632   -15.622 0.5 32.903 ? 121 LYS   B O    1 ? 2 
ATOM   3448 O O    B LYS   B 1 109 ? -8.276  0.678   -15.483 0.5 32.851 ? 121 LYS   B O    1 ? 2 
ATOM   3449 C CB   A LYS   B 1 109 ? -10.506 1.744   -17.41  0.5 34.224 ? 121 LYS   B CB   1 ? 2 
ATOM   3450 C CB   B LYS   B 1 109 ? -10.534 1.724   -17.418 0.5 34.884 ? 121 LYS   B CB   1 ? 2 
ATOM   3451 C CG   A LYS   B 1 109 ? -10.843 2.96    -18.276 0.5 36.447 ? 121 LYS   B CG   1 ? 2 
ATOM   3452 C CG   B LYS   B 1 109 ? -10.977 2.957   -18.199 0.5 37.402 ? 121 LYS   B CG   1 ? 2 
ATOM   3453 C CD   A LYS   B 1 109 ? -12.22  3.592   -18.068 0.5 36.823 ? 121 LYS   B CD   1 ? 2 
ATOM   3454 C CD   B LYS   B 1 109 ? -12.269 3.546   -17.63  0.5 37.648 ? 121 LYS   B CD   1 ? 2 
ATOM   3455 C CE   A LYS   B 1 109 ? -12.451 4.803   -18.939 0.5 40.024 ? 121 LYS   B CE   1 ? 2 
ATOM   3456 C CE   B LYS   B 1 109 ? -12.574 4.948   -18.06  0.5 40.092 ? 121 LYS   B CE   1 ? 2 
ATOM   3457 N NZ   A LYS   B 1 109 ? -11.762 5.993   -18.418 0.5 40.147 ? 121 LYS   B NZ   1 ? 2 
ATOM   3458 N NZ   B LYS   B 1 109 ? -13.342 5.006   -19.309 0.5 39.989 ? 121 LYS   B NZ   1 ? 2 
ATOM   3459 H H    A LYS   B 1 109 ? -9.757  0.354   -19.432 0.5 32.492 ? 121 LYS   B H    1 c 2 
ATOM   3460 H H    B LYS   B 1 109 ? -9.752  0.323   -19.425 0.5 32.573 ? 121 LYS   B H    1 c 2 
ATOM   3461 H HA   A LYS   B 1 109 ? -8.484  1.949   -17.635 0.5 33.767 ? 121 LYS   B HA   1 c 2 
ATOM   3462 H HA   B LYS   B 1 109 ? -8.495  1.949   -17.626 0.5 34.073 ? 121 LYS   B HA   1 c 2 
ATOM   3463 H HB2  A LYS   B 1 109 ? -11.169 1.042   -17.582 0.5 33.302 ? 121 LYS   B HB2  1 c 2 
ATOM   3464 H HB2  B LYS   B 1 109 ? -11.17  1.002   -17.608 0.5 33.988 ? 121 LYS   B HB2  1 c 2 
ATOM   3465 H HB3  A LYS   B 1 109 ? -10.582 2.002   -16.466 0.5 33.366 ? 121 LYS   B HB3  1 c 2 
ATOM   3466 H HB3  B LYS   B 1 109 ? -10.615 1.931   -16.462 0.5 34.005 ? 121 LYS   B HB3  1 c 2 
ATOM   3467 H HG2  A LYS   B 1 109 ? -10.16  3.646   -18.112 0.5 37.363 ? 121 LYS   B HG2  1 c 2 
ATOM   3468 H HG2  B LYS   B 1 109 ? -10.266 3.632   -18.159 0.5 38.406 ? 121 LYS   B HG2  1 c 2 
ATOM   3469 H HG3  A LYS   B 1 109 ? -10.763 2.693   -19.217 0.5 37.206 ? 121 LYS   B HG3  1 c 2 
ATOM   3470 H HG3  B LYS   B 1 109 ? -11.117 2.708   -19.138 0.5 38.01  ? 121 LYS   B HG3  1 c 2 
ATOM   3471 H HD2  A LYS   B 1 109 ? -12.91  2.921   -18.263 0.5 36.153 ? 121 LYS   B HD2  1 c 2 
ATOM   3472 H HD2  B LYS   B 1 109 ? -13.014 2.967   -17.896 0.5 37.066 ? 121 LYS   B HD2  1 c 2 
ATOM   3473 H HD3  A LYS   B 1 109 ? -12.312 3.853   -17.125 0.5 36.232 ? 121 LYS   B HD3  1 c 2 
ATOM   3474 H HD3  B LYS   B 1 109 ? -12.215 3.523   -16.651 0.5 36.771 ? 121 LYS   B HD3  1 c 2 
ATOM   3475 H HE2  A LYS   B 1 109 ? -12.13  4.62    -19.84  0.5 40.432 ? 121 LYS   B HE2  1 c 2 
ATOM   3476 H HE2  B LYS   B 1 109 ? -13.078 5.398   -17.359 0.5 39.362 ? 121 LYS   B HE2  1 c 2 
ATOM   3477 H HE3  A LYS   B 1 109 ? -13.407 4.987   -18.989 0.5 39.478 ? 121 LYS   B HE3  1 c 2 
ATOM   3478 H HE3  B LYS   B 1 109 ? -11.737 5.431   -18.185 0.5 40.739 ? 121 LYS   B HE3  1 c 2 
ATOM   3479 H HZ1  A LYS   B 1 109 ? -10.866 5.859   -18.432 0.5 40.619 ? 121 LYS   B HZ1  1 c 2 
ATOM   3480 H HZ1  B LYS   B 1 109 ? -14.163 4.644   -19.181 0.5 39.541 ? 121 LYS   B HZ1  1 c 2 
ATOM   3481 H HZ2  A LYS   B 1 109 ? -12.026 6.15    -17.565 0.5 39.664 ? 121 LYS   B HZ2  1 c 2 
ATOM   3482 H HZ2  B LYS   B 1 109 ? -12.911 4.543   -19.957 0.5 40.669 ? 121 LYS   B HZ2  1 c 2 
ATOM   3483 H HZ3  A LYS   B 1 109 ? -11.964 6.712   -18.93  0.5 41.426 ? 121 LYS   B HZ3  1 c 2 
ATOM   3484 H HZ3  B LYS   B 1 109 ? -13.435 5.868   -19.571 0.5 41.431 ? 121 LYS   B HZ3  1 c 2 
ATOM   3485 N N    . ILE   B 1 110 ? -9.05   -1.059  -16.662 1   29.881 ? 122 ILE   B N    1 ? 2 
ATOM   3486 C CA   . ILE   B 1 110 ? -8.823  -2.005  -15.569 1   29.945 ? 122 ILE   B CA   1 ? 2 
ATOM   3487 C C    . ILE   B 1 110 ? -7.986  -3.193  -16.026 1   29.191 ? 122 ILE   B C    1 ? 2 
ATOM   3488 O O    . ILE   B 1 110 ? -8.409  -3.925  -16.92  1   29.194 ? 122 ILE   B O    1 ? 2 
ATOM   3489 C CB   . ILE   B 1 110 ? -10.165 -2.535  -15.006 1   29.698 ? 122 ILE   B CB   1 ? 2 
ATOM   3490 C CG1  . ILE   B 1 110 ? -11.247 -1.431  -14.81  1   32.386 ? 122 ILE   B CG1  1 ? 2 
ATOM   3491 C CG2  . ILE   B 1 110 ? -9.878  -3.35   -13.76  1   28.97  ? 122 ILE   B CG2  1 ? 2 
ATOM   3492 C CD1  . ILE   B 1 110 ? -10.874 -0.386  -13.8   1   40.147 ? 122 ILE   B CD1  1 ? 2 
ATOM   3493 H H    A ILE   B 1 110 ? -9.472  -1.348  -17.419 0.5 30.318 ? 122 ILE   B H    1 c 2 
ATOM   3494 H H    B ILE   B 1 110 ? -9.395  -1.365  -17.451 0.5 30.369 ? 122 ILE   B H    1 c 2 
ATOM   3495 H HA   . ILE   B 1 110 ? -8.352  -1.55   -14.848 1   29.57  ? 122 ILE   B HA   1 c 2 
ATOM   3496 H HB   . ILE   B 1 110 ? -10.523 -3.155  -15.671 1   30.216 ? 122 ILE   B HB   1 c 2 
ATOM   3497 H HG12 . ILE   B 1 110 ? -11.412 -0.994  -15.67  1   33.57  ? 122 ILE   B HG12 1 c 2 
ATOM   3498 H HG13 . ILE   B 1 110 ? -12.081 -1.858  -14.527 1   32.014 ? 122 ILE   B HG13 1 c 2 
ATOM   3499 H HG21 . ILE   B 1 110 ? -10.716 -3.59   -13.329 1   27.895 ? 122 ILE   B HG21 1 c 2 
ATOM   3500 H HG22 . ILE   B 1 110 ? -9.339  -2.826  -13.145 1   28.955 ? 122 ILE   B HG22 1 c 2 
ATOM   3501 H HG23 . ILE   B 1 110 ? -9.399  -4.16   -14     1   29.188 ? 122 ILE   B HG23 1 c 2 
ATOM   3502 H HD11 . ILE   B 1 110 ? -10.706 -0.811  -12.938 1   37.272 ? 122 ILE   B HD11 1 c 2 
ATOM   3503 H HD12 . ILE   B 1 110 ? -11.619 0.235   -13.712 1   37.694 ? 122 ILE   B HD12 1 c 2 
ATOM   3504 H HD13 . ILE   B 1 110 ? -10.078 0.098   -14.081 1   38.483 ? 122 ILE   B HD13 1 c 2 
ATOM   3505 N N    . PRO   B 1 111 ? -6.805  -3.444  -15.415 1   28.594 ? 123 PRO   B N    1 ? 2 
ATOM   3506 C CA   . PRO   B 1 111 ? -6.008  -4.608  -15.742 1   28.522 ? 123 PRO   B CA   1 ? 2 
ATOM   3507 C C    . PRO   B 1 111 ? -6.543  -5.899  -15.175 1   26.661 ? 123 PRO   B C    1 ? 2 
ATOM   3508 O O    . PRO   B 1 111 ? -7.491  -5.9    -14.384 1   27.094 ? 123 PRO   B O    1 ? 2 
ATOM   3509 C CB   . PRO   B 1 111 ? -4.597  -4.251  -15.366 1   30.272 ? 123 PRO   B CB   1 ? 2 
ATOM   3510 C CG   . PRO   B 1 111 ? -4.798  -3.241  -14.273 1   31.925 ? 123 PRO   B CG   1 ? 2 
ATOM   3511 C CD   . PRO   B 1 111 ? -6.147  -2.578  -14.428 1   31.421 ? 123 PRO   B CD   1 ? 2 
ATOM   3512 H HA   . PRO   B 1 111 ? -6.011  -4.699  -16.718 1   29.168 ? 123 PRO   B HA   1 c 2 
ATOM   3513 H HB2  . PRO   B 1 111 ? -4.111  -5.032  -15.039 1   30.562 ? 123 PRO   B HB2  1 c 2 
ATOM   3514 H HB3  . PRO   B 1 111 ? -4.118  -3.861  -16.123 1   31.746 ? 123 PRO   B HB3  1 c 2 
ATOM   3515 H HG2  . PRO   B 1 111 ? -4.747  -3.68   -13.4   1   31.03  ? 123 PRO   B HG2  1 c 2 
ATOM   3516 H HG3  . PRO   B 1 111 ? -4.093  -2.564  -14.31  1   32.677 ? 123 PRO   B HG3  1 c 2 
ATOM   3517 H HD2  . PRO   B 1 111 ? -6.642  -2.569  -13.586 1   29.967 ? 123 PRO   B HD2  1 c 2 
ATOM   3518 H HD3  . PRO   B 1 111 ? -6.061  -1.666  -14.766 1   31.593 ? 123 PRO   B HD3  1 c 2 
ATOM   3519 N N    . SER   B 1 112 ? -5.946  -6.989  -15.638 1   28.038 ? 124 SER   B N    1 ? 2 
ATOM   3520 C CA   . SER   B 1 112 ? -6.176  -8.304  -15.061 1   26.858 ? 124 SER   B CA   1 ? 2 
ATOM   3521 C C    . SER   B 1 112 ? -5.935  -8.306  -13.542 1   26.947 ? 124 SER   B C    1 ? 2 
ATOM   3522 O O    . SER   B 1 112 ? -4.993  -7.721  -13.047 1   27.776 ? 124 SER   B O    1 ? 2 
ATOM   3523 C CB   . SER   B 1 112 ? -5.264  -9.301  -15.737 1   27.43  ? 124 SER   B CB   1 ? 2 
ATOM   3524 O OG   . SER   B 1 112 ? -5.452  -10.59  -15.149 1   26.546 ? 124 SER   B OG   1 ? 2 
ATOM   3525 H H    . SER   B 1 112 ? -5.372  -6.915  -16.345 1   29.072 ? 124 SER   B H    1 c 2 
ATOM   3526 H HA   . SER   B 1 112 ? -7.116  -8.563  -15.235 1   26.434 ? 124 SER   B HA   1 c 2 
ATOM   3527 H HB2  . SER   B 1 112 ? -5.473  -9.34   -16.688 1   28.173 ? 124 SER   B HB2  1 c 2 
ATOM   3528 H HB3  . SER   B 1 112 ? -4.335  -9.022  -15.631 1   28.321 ? 124 SER   B HB3  1 c 2 
ATOM   3529 H HG   . SER   B 1 112 ? -4.943  -11.137 -15.551 0   20     ? 124 SER   B HG   1 c 2 
ATOM   3530 N N    . ASN   B 1 113 ? -6.838  -8.967  -12.839 1   24.224 ? 125 ASN   B N    1 ? 2 
ATOM   3531 C CA   . ASN   B 1 113 ? -6.652  -9.256  -11.431 1   24.889 ? 125 ASN   B CA   1 ? 2 
ATOM   3532 C C    . ASN   B 1 113 ? -6.533  -7.989  -10.557 1   24.978 ? 125 ASN   B C    1 ? 2 
ATOM   3533 O O    . ASN   B 1 113 ? -5.716  -7.949  -9.637  1   28.066 ? 125 ASN   B O    1 ? 2 
ATOM   3534 C CB   . ASN   B 1 113 ? -5.481  -10.191 -11.224 1   27.684 ? 125 ASN   B CB   1 ? 2 
ATOM   3535 C CG   . ASN   B 1 113 ? -5.739  -11.532 -11.865 1   31.011 ? 125 ASN   B CG   1 ? 2 
ATOM   3536 O OD1  . ASN   B 1 113 ? -6.885  -11.98  -11.898 1   33.676 ? 125 ASN   B OD1  1 ? 2 
ATOM   3537 N ND2  . ASN   B 1 113 ? -4.675  -12.254 -12.123 1   36.407 ? 125 ASN   B ND2  1 ? 2 
ATOM   3538 H H    . ASN   B 1 113 ? -7.605  -9.251  -13.247 1   24.523 ? 125 ASN   B H    1 c 2 
ATOM   3539 H HA   . ASN   B 1 113 ? -7.455  -9.736  -11.126 1   24.45  ? 125 ASN   B HA   1 c 2 
ATOM   3540 H HB2  . ASN   B 1 113 ? -4.673  -9.797  -11.608 1   28.618 ? 125 ASN   B HB2  1 c 2 
ATOM   3541 H HB3  . ASN   B 1 113 ? -5.332  -10.317 -10.265 1   27.524 ? 125 ASN   B HB3  1 c 2 
ATOM   3542 H HD21 . ASN   B 1 113 ? -4.757  -13.012 -12.578 1   35.435 ? 125 ASN   B HD21 1 c 2 
ATOM   3543 H HD22 . ASN   B 1 113 ? -3.876  -11.988 -11.844 1   35.796 ? 125 ASN   B HD22 1 c 2 
ATOM   3544 N N    . ALA   B 1 114 ? -7.26   -6.947  -10.887 1   25.675 ? 126 ALA   B N    1 ? 2 
ATOM   3545 C CA   . ALA   B 1 114 ? -7.217  -5.672  -10.208 1   25.747 ? 126 ALA   B CA   1 ? 2 
ATOM   3546 C C    . ALA   B 1 114 ? -8.115  -5.671  -8.951  1   25.016 ? 126 ALA   B C    1 ? 2 
ATOM   3547 O O    . ALA   B 1 114 ? -9.27   -6.091  -8.979  1   25.092 ? 126 ALA   B O    1 ? 2 
ATOM   3548 C CB   . ALA   B 1 114 ? -7.622  -4.561  -11.109 1   25.969 ? 126 ALA   B CB   1 ? 2 
ATOM   3549 H H    . ALA   B 1 114 ? -7.838  -7.035  -11.589 1   25.36  ? 126 ALA   B H    1 c 2 
ATOM   3550 H HA   . ALA   B 1 114 ? -6.277  -5.513  -9.915  1   26.337 ? 126 ALA   B HA   1 c 2 
ATOM   3551 H HB1  . ALA   B 1 114 ? -7.025  -4.526  -11.875 1   26.638 ? 126 ALA   B HB1  1 c 2 
ATOM   3552 H HB2  . ALA   B 1 114 ? -8.533  -4.705  -11.417 1   25.553 ? 126 ALA   B HB2  1 c 2 
ATOM   3553 H HB3  . ALA   B 1 114 ? -7.577  -3.717  -10.628 1   25.875 ? 126 ALA   B HB3  1 c 2 
ATOM   3554 N N    . THR   B 1 115 ? -7.527  -5.166  -7.835  1   23.938 ? 127 THR   B N    1 ? 2 
ATOM   3555 C CA   . THR   B 1 115 ? -8.312  -4.793  -6.683  1   23.388 ? 127 THR   B CA   1 ? 2 
ATOM   3556 C C    . THR   B 1 115 ? -8.679  -3.336  -6.834  1   24.169 ? 127 THR   B C    1 ? 2 
ATOM   3557 O O    . THR   B 1 115 ? -7.83   -2.522  -7.192  1   26.159 ? 127 THR   B O    1 ? 2 
ATOM   3558 C CB   . THR   B 1 115 ? -7.407  -5.026  -5.473  1   24.904 ? 127 THR   B CB   1 ? 2 
ATOM   3559 O OG1  . THR   B 1 115 ? -7.165  -6.43   -5.322  1   27.503 ? 127 THR   B OG1  1 ? 2 
ATOM   3560 C CG2  . THR   B 1 115 ? -8.011  -4.549  -4.167  1   25.998 ? 127 THR   B CG2  1 ? 2 
ATOM   3561 H H    . THR   B 1 115 ? -6.62   -5.057  -7.81   1   25.184 ? 127 THR   B H    1 c 2 
ATOM   3562 H HA   . THR   B 1 115 ? -9.113  -5.352  -6.624  1   22.929 ? 127 THR   B HA   1 c 2 
ATOM   3563 H HB   . THR   B 1 115 ? -6.547  -4.562  -5.611  1   26.285 ? 127 THR   B HB   1 c 2 
ATOM   3564 H HG1  . THR   B 1 115 ? -7.906  -6.843  -5.204  0   20     ? 127 THR   B HG1  1 c 2 
ATOM   3565 H HG21 . THR   B 1 115 ? -7.387  -4.717  -3.441  1   26.3   ? 127 THR   B HG21 1 c 2 
ATOM   3566 H HG22 . THR   B 1 115 ? -8.838  -5.029  -3.997  1   24.914 ? 127 THR   B HG22 1 c 2 
ATOM   3567 H HG23 . THR   B 1 115 ? -8.195  -3.597  -4.219  1   25.747 ? 127 THR   B HG23 1 c 2 
ATOM   3568 N N    . LEU   B 1 116 ? -9.925  -3.008  -6.475  1   23.531 ? 128 LEU   B N    1 ? 2 
ATOM   3569 C CA   . LEU   B 1 116 ? -10.486 -1.691  -6.676  1   23.659 ? 128 LEU   B CA   1 ? 2 
ATOM   3570 C C    . LEU   B 1 116 ? -10.853 -1.111  -5.319  1   24.468 ? 128 LEU   B C    1 ? 2 
ATOM   3571 O O    . LEU   B 1 116 ? -11.28  -1.871  -4.429  1   23.269 ? 128 LEU   B O    1 ? 2 
ATOM   3572 C CB   . LEU   B 1 116 ? -11.718 -1.708  -7.586  1   24.049 ? 128 LEU   B CB   1 ? 2 
ATOM   3573 C CG   . LEU   B 1 116 ? -11.598 -2.309  -8.997  1   27.621 ? 128 LEU   B CG   1 ? 2 
ATOM   3574 C CD1  . LEU   B 1 116 ? -12.862 -1.935  -9.78   1   27.943 ? 128 LEU   B CD1  1 ? 2 
ATOM   3575 C CD2  . LEU   B 1 116 ? -10.414 -1.913  -9.668  1   31.092 ? 128 LEU   B CD2  1 ? 2 
ATOM   3576 H H    . LEU   B 1 116 ? -10.449 -3.644  -6.078  1   22.495 ? 128 LEU   B H    1 c 2 
ATOM   3577 H HA   . LEU   B 1 116 ? -9.791  -1.116  -7.085  1   24.852 ? 128 LEU   B HA   1 c 2 
ATOM   3578 H HB2  . LEU   B 1 116 ? -12.434 -2.191  -7.112  1   23.755 ? 128 LEU   B HB2  1 c 2 
ATOM   3579 H HB3  . LEU   B 1 116 ? -12.034 -0.779  -7.678  1   24.484 ? 128 LEU   B HB3  1 c 2 
ATOM   3580 H HG   . LEU   B 1 116 ? -11.579 -3.297  -8.907  1   27.164 ? 128 LEU   B HG   1 c 2 
ATOM   3581 H HD11 . LEU   B 1 116 ? -13.645 -2.276  -9.316  1   27.274 ? 128 LEU   B HD11 1 c 2 
ATOM   3582 H HD12 . LEU   B 1 116 ? -12.818 -2.324  -10.669 1   27.796 ? 128 LEU   B HD12 1 c 2 
ATOM   3583 H HD13 . LEU   B 1 116 ? -12.925 -0.968  -9.854  1   28.324 ? 128 LEU   B HD13 1 c 2 
ATOM   3584 H HD21 . LEU   B 1 116 ? -9.641  -2.293  -9.219  1   30.468 ? 128 LEU   B HD21 1 c 2 
ATOM   3585 H HD22 . LEU   B 1 116 ? -10.346 -0.943  -9.663  1   30.904 ? 128 LEU   B HD22 1 c 2 
ATOM   3586 H HD23 . LEU   B 1 116 ? -10.44  -2.229  -10.587 1   30.843 ? 128 LEU   B HD23 1 c 2 
ATOM   3587 N N    . PHE   B 1 117 ? -10.752 0.224   -5.237  1   25.008 ? 129 PHE   B N    1 ? 2 
ATOM   3588 C CA   . PHE   B 1 117 ? -11.19  1.003   -4.094  1   26.255 ? 129 PHE   B CA   1 ? 2 
ATOM   3589 C C    . PHE   B 1 117 ? -12.206 2.042   -4.536  1   25.691 ? 129 PHE   B C    1 ? 2 
ATOM   3590 O O    . PHE   B 1 117 ? -12.019 2.729   -5.559  1   27.713 ? 129 PHE   B O    1 ? 2 
ATOM   3591 C CB   . PHE   B 1 117 ? -9.995  1.694   -3.45   1   28.785 ? 129 PHE   B CB   1 ? 2 
ATOM   3592 C CG   . PHE   B 1 117 ? -10.414 2.667   -2.354  1   31.05  ? 129 PHE   B CG   1 ? 2 
ATOM   3593 C CD1  . PHE   B 1 117 ? -10.626 2.23    -1.046  1   26.911 ? 129 PHE   B CD1  1 ? 2 
ATOM   3594 C CD2  . PHE   B 1 117 ? -10.665 4.002   -2.658  1   29.077 ? 129 PHE   B CD2  1 ? 2 
ATOM   3595 C CE1  . PHE   B 1 117 ? -11.035 3.126   -0.059  1   28.67  ? 129 PHE   B CE1  1 ? 2 
ATOM   3596 C CE2  . PHE   B 1 117 ? -11.056 4.885   -1.66   1   31.923 ? 129 PHE   B CE2  1 ? 2 
ATOM   3597 C CZ   . PHE   B 1 117 ? -11.274 4.433   -0.36   1   30.615 ? 129 PHE   B CZ   1 ? 2 
ATOM   3598 H H    . PHE   B 1 117 ? -10.384 0.674   -5.943  1   25.584 ? 129 PHE   B H    1 c 2 
ATOM   3599 H HA   . PHE   B 1 117 ? -11.608 0.397   -3.431  1   25.458 ? 129 PHE   B HA   1 c 2 
ATOM   3600 H HB2  . PHE   B 1 117 ? -9.403  1.01    -3.065  1   28.666 ? 129 PHE   B HB2  1 c 2 
ATOM   3601 H HB3  . PHE   B 1 117 ? -9.499  2.182   -4.143  1   29.582 ? 129 PHE   B HB3  1 c 2 
ATOM   3602 H HD1  . PHE   B 1 117 ? -10.479 1.324   -0.826  1   27.211 ? 129 PHE   B HD1  1 c 2 
ATOM   3603 H HD2  . PHE   B 1 117 ? -10.532 4.315   -3.538  1   30.209 ? 129 PHE   B HD2  1 c 2 
ATOM   3604 H HE1  . PHE   B 1 117 ? -11.166 2.818   0.824   1   28.592 ? 129 PHE   B HE1  1 c 2 
ATOM   3605 H HE2  . PHE   B 1 117 ? -11.217 5.79    -1.874  1   31.961 ? 129 PHE   B HE2  1 c 2 
ATOM   3606 H HZ   . PHE   B 1 117 ? -11.535 5.037   0.316   1   31.019 ? 129 PHE   B HZ   1 c 2 
ATOM   3607 N N    . PHE   B 1 118 ? -13.318 2.134   -3.792  1   26.076 ? 130 PHE   B N    1 ? 2 
ATOM   3608 C CA   . PHE   B 1 118 ? -14.306 3.168   -4.018  1   25.095 ? 130 PHE   B CA   1 ? 2 
ATOM   3609 C C    . PHE   B 1 118 ? -14.662 3.881   -2.717  1   27.101 ? 130 PHE   B C    1 ? 2 
ATOM   3610 O O    . PHE   B 1 118 ? -14.714 3.252   -1.633  1   27.545 ? 130 PHE   B O    1 ? 2 
ATOM   3611 C CB   . PHE   B 1 118 ? -15.623 2.671   -4.599  1   25.912 ? 130 PHE   B CB   1 ? 2 
ATOM   3612 C CG   . PHE   B 1 118 ? -15.49  2.106   -6.015  1   24.619 ? 130 PHE   B CG   1 ? 2 
ATOM   3613 C CD1  . PHE   B 1 118 ? -15.088 0.796   -6.231  1   26.279 ? 130 PHE   B CD1  1 ? 2 
ATOM   3614 C CD2  . PHE   B 1 118 ? -15.842 2.88    -7.1    1   27.34  ? 130 PHE   B CD2  1 ? 2 
ATOM   3615 C CE1  . PHE   B 1 118 ? -15.022 0.26    -7.507  1   26.289 ? 130 PHE   B CE1  1 ? 2 
ATOM   3616 C CE2  . PHE   B 1 118 ? -15.791 2.337   -8.387  1   27.726 ? 130 PHE   B CE2  1 ? 2 
ATOM   3617 C CZ   . PHE   B 1 118 ? -15.407 1.029   -8.58   1   25.407 ? 130 PHE   B CZ   1 ? 2 
ATOM   3618 H H    . PHE   B 1 118 ? -13.461 1.53    -3.121  1   25.071 ? 130 PHE   B H    1 c 2 
ATOM   3619 H HA   . PHE   B 1 118 ? -13.921 3.832   -4.645  1   26.374 ? 130 PHE   B HA   1 c 2 
ATOM   3620 H HB2  . PHE   B 1 118 ? -15.982 1.971   -4.009  1   24.831 ? 130 PHE   B HB2  1 c 2 
ATOM   3621 H HB3  . PHE   B 1 118 ? -16.263 3.417   -4.611  1   26.082 ? 130 PHE   B HB3  1 c 2 
ATOM   3622 H HD1  . PHE   B 1 118 ? -14.861 0.257   -5.49   1   25.625 ? 130 PHE   B HD1  1 c 2 
ATOM   3623 H HD2  . PHE   B 1 118 ? -16.146 3.764   -6.971  1   27.589 ? 130 PHE   B HD2  1 c 2 
ATOM   3624 H HE1  . PHE   B 1 118 ? -14.745 -0.633  -7.635  1   25.335 ? 130 PHE   B HE1  1 c 2 
ATOM   3625 H HE2  . PHE   B 1 118 ? -16.029 2.87    -9.128  1   27.85  ? 130 PHE   B HE2  1 c 2 
ATOM   3626 H HZ   . PHE   B 1 118 ? -15.333 0.684   -9.456  1   25.992 ? 130 PHE   B HZ   1 c 2 
ATOM   3627 N N    . GLU   B 1 119 ? -14.899 5.187   -2.864  1   25.895 ? 131 GLU   B N    1 ? 2 
ATOM   3628 C CA   . GLU   B 1 119 ? -15.703 5.919   -1.905  1   27.734 ? 131 GLU   B CA   1 ? 2 
ATOM   3629 C C    . GLU   B 1 119 ? -17.035 6.209   -2.588  1   29.302 ? 131 GLU   B C    1 ? 2 
ATOM   3630 O O    . GLU   B 1 119 ? -17.09  6.778   -3.72   1   30.42  ? 131 GLU   B O    1 ? 2 
ATOM   3631 C CB   . GLU   B 1 119 ? -14.994 7.201   -1.458  1   29.281 ? 131 GLU   B CB   1 ? 2 
ATOM   3632 C CG   . GLU   B 1 119 ? -15.888 8.063   -0.575  1   30.982 ? 131 GLU   B CG   1 ? 2 
ATOM   3633 C CD   . GLU   B 1 119 ? -15.225 9.27    0.01    1   32.648 ? 131 GLU   B CD   1 ? 2 
ATOM   3634 O OE1  . GLU   B 1 119 ? -14.363 9.112   0.891   1   34.164 ? 131 GLU   B OE1  1 ? 2 
ATOM   3635 O OE2  . GLU   B 1 119 ? -15.515 10.373  -0.518  1   37.285 ? 131 GLU   B OE2  1 ? 2 
ATOM   3636 H H    . GLU   B 1 119 ? -14.546 5.635   -3.578  1   26.783 ? 131 GLU   B H    1 c 2 
ATOM   3637 H HA   . GLU   B 1 119 ? -15.859 5.344   -1.116  1   27.405 ? 131 GLU   B HA   1 c 2 
ATOM   3638 H HB2  . GLU   B 1 119 ? -14.181 6.961   -0.966  1   29.41  ? 131 GLU   B HB2  1 c 2 
ATOM   3639 H HB3  . GLU   B 1 119 ? -14.726 7.711   -2.251  1   29.951 ? 131 GLU   B HB3  1 c 2 
ATOM   3640 H HG2  . GLU   B 1 119 ? -16.661 8.36    -1.099  1   31.08  ? 131 GLU   B HG2  1 c 2 
ATOM   3641 H HG3  . GLU   B 1 119 ? -16.23  7.512   0.162   1   30.359 ? 131 GLU   B HG3  1 c 2 
ATOM   3642 N N    . ILE   B 1 120 ? -18.111 5.802   -1.915  1   26.71  ? 132 ILE   B N    1 ? 2 
ATOM   3643 C CA   . ILE   B 1 120 ? -19.462 5.968   -2.434  1   28.2   ? 132 ILE   B CA   1 ? 2 
ATOM   3644 C C    . ILE   B 1 120 ? -20.29  6.767   -1.444  1   30.807 ? 132 ILE   B C    1 ? 2 
ATOM   3645 O O    . ILE   B 1 120 ? -20.355 6.416   -0.245  1   29.058 ? 132 ILE   B O    1 ? 2 
ATOM   3646 C CB   . ILE   B 1 120 ? -20.142 4.629   -2.704  1   28.238 ? 132 ILE   B CB   1 ? 2 
ATOM   3647 C CG1  . ILE   B 1 120 ? -19.275 3.738   -3.616  1   27.587 ? 132 ILE   B CG1  1 ? 2 
ATOM   3648 C CG2  . ILE   B 1 120 ? -21.504 4.872   -3.324  1   27.313 ? 132 ILE   B CG2  1 ? 2 
ATOM   3649 C CD1  . ILE   B 1 120 ? -19.778 2.308   -3.792  1   26.332 ? 132 ILE   B CD1  1 ? 2 
ATOM   3650 H H    . ILE   B 1 120 ? -18.003 5.407   -1.098  1   27.086 ? 132 ILE   B H    1 c 2 
ATOM   3651 H HA   . ILE   B 1 120 ? -19.414 6.463   -3.274  1   28.632 ? 132 ILE   B HA   1 c 2 
ATOM   3652 H HB   . ILE   B 1 120 ? -20.267 4.167   -1.851  1   27.845 ? 132 ILE   B HB   1 c 2 
ATOM   3653 H HG12 . ILE   B 1 120 ? -19.22  4.159   -4.499  1   27.621 ? 132 ILE   B HG12 1 c 2 
ATOM   3654 H HG13 . ILE   B 1 120 ? -18.369 3.703   -3.249  1   27.442 ? 132 ILE   B HG13 1 c 2 
ATOM   3655 H HG21 . ILE   B 1 120 ? -21.917 4.023   -3.55   1   27.104 ? 132 ILE   B HG21 1 c 2 
ATOM   3656 H HG22 . ILE   B 1 120 ? -21.403 5.405   -4.131  1   27.957 ? 132 ILE   B HG22 1 c 2 
ATOM   3657 H HG23 . ILE   B 1 120 ? -22.072 5.346   -2.694  1   28.395 ? 132 ILE   B HG23 1 c 2 
ATOM   3658 H HD11 . ILE   B 1 120 ? -19.874 1.886   -2.917  1   26.124 ? 132 ILE   B HD11 1 c 2 
ATOM   3659 H HD12 . ILE   B 1 120 ? -19.137 1.802   -4.326  1   25.846 ? 132 ILE   B HD12 1 c 2 
ATOM   3660 H HD13 . ILE   B 1 120 ? -20.642 2.312   -4.245  1   26.65  ? 132 ILE   B HD13 1 c 2 
ATOM   3661 N N    . GLU   B 1 121 ? -20.978 7.758   -2.012  1   29.47  ? 133 GLU   B N    1 ? 2 
ATOM   3662 C CA   . GLU   B 1 121 ? -22     8.487   -1.26   1   31.315 ? 133 GLU   B CA   1 ? 2 
ATOM   3663 C C    . GLU   B 1 121 ? -23.364 8.132   -1.847  1   31.906 ? 133 GLU   B C    1 ? 2 
ATOM   3664 O O    . GLU   B 1 121 ? -23.596 8.327   -3.052  1   32.206 ? 133 GLU   B O    1 ? 2 
ATOM   3665 C CB   . GLU   B 1 121 ? -21.865 10.008  -1.217  1   33.915 ? 133 GLU   B CB   1 ? 2 
ATOM   3666 C CG   . GLU   B 1 121 ? -23.072 10.688  -0.574  1   36.095 ? 133 GLU   B CG   1 ? 2 
ATOM   3667 C CD   . GLU   B 1 121 ? -22.885 12.146  -0.22   1   38.462 ? 133 GLU   B CD   1 ? 2 
ATOM   3668 O OE1  . GLU   B 1 121 ? -21.803 12.682  -0.513  1   42.259 ? 133 GLU   B OE1  1 ? 2 
ATOM   3669 O OE2  . GLU   B 1 121 ? -23.792 12.768  0.354   1   40.224 ? 133 GLU   B OE2  1 ? 2 
ATOM   3670 H H    . GLU   B 1 121 ? -20.815 7.992   -2.88   1   30.049 ? 133 GLU   B H    1 c 2 
ATOM   3671 H HA   . GLU   B 1 121 ? -21.974 8.168   -0.325  1   31.27  ? 133 GLU   B HA   1 c 2 
ATOM   3672 H HB2  . GLU   B 1 121 ? -21.054 10.239  -0.719  1   34.114 ? 133 GLU   B HB2  1 c 2 
ATOM   3673 H HB3  . GLU   B 1 121 ? -21.76  10.343  -2.132  1   34.142 ? 133 GLU   B HB3  1 c 2 
ATOM   3674 H HG2  . GLU   B 1 121 ? -23.836 10.618  -1.184  1   36.128 ? 133 GLU   B HG2  1 c 2 
ATOM   3675 H HG3  . GLU   B 1 121 ? -23.308 10.201  0.244   1   35.593 ? 133 GLU   B HG3  1 c 2 
ATOM   3676 N N    . LEU   B 1 122 ? -24.227 7.569   -1.012  1   31.032 ? 134 LEU   B N    1 ? 2 
ATOM   3677 C CA   . LEU   B 1 122 ? -25.589 7.253   -1.421  1   33.495 ? 134 LEU   B CA   1 ? 2 
ATOM   3678 C C    . LEU   B 1 122 ? -26.478 8.488   -1.273  1   34.356 ? 134 LEU   B C    1 ? 2 
ATOM   3679 O O    . LEU   B 1 122 ? -26.76  8.919   -0.151  1   36.385 ? 134 LEU   B O    1 ? 2 
ATOM   3680 C CB   . LEU   B 1 122 ? -26.133 6.077   -0.625  1   32.995 ? 134 LEU   B CB   1 ? 2 
ATOM   3681 C CG   . LEU   B 1 122 ? -27.546 5.61    -0.974  1   34.486 ? 134 LEU   B CG   1 ? 2 
ATOM   3682 C CD1  . LEU   B 1 122 ? -27.682 5.278   -2.423  1   34.04  ? 134 LEU   B CD1  1 ? 2 
ATOM   3683 C CD2  . LEU   B 1 122 ? -27.979 4.41    -0.166  1   33.021 ? 134 LEU   B CD2  1 ? 2 
ATOM   3684 H H    . LEU   B 1 122 ? -23.967 7.372   -0.158  1   31.42  ? 134 LEU   B H    1 c 2 
ATOM   3685 H HA   . LEU   B 1 122 ? -25.565 7.001   -2.378  1   32.699 ? 134 LEU   B HA   1 c 2 
ATOM   3686 H HB2  . LEU   B 1 122 ? -25.518 5.317   -0.744  1   31.876 ? 134 LEU   B HB2  1 c 2 
ATOM   3687 H HB3  . LEU   B 1 122 ? -26.115 6.32    0.329   1   33.582 ? 134 LEU   B HB3  1 c 2 
ATOM   3688 H HG   . LEU   B 1 122 ? -28.173 6.351   -0.772  1   35.562 ? 134 LEU   B HG   1 c 2 
ATOM   3689 H HD11 . LEU   B 1 122 ? -27.583 6.086   -2.954  1   34.597 ? 134 LEU   B HD11 1 c 2 
ATOM   3690 H HD12 . LEU   B 1 122 ? -28.558 4.891   -2.588  1   34.694 ? 134 LEU   B HD12 1 c 2 
ATOM   3691 H HD13 . LEU   B 1 122 ? -26.994 4.64    -2.677  1   32.785 ? 134 LEU   B HD13 1 c 2 
ATOM   3692 H HD21 . LEU   B 1 122 ? -27.868 4.598   0.779   1   33.526 ? 134 LEU   B HD21 1 c 2 
ATOM   3693 H HD22 . LEU   B 1 122 ? -27.434 3.642   -0.408  1   32.117 ? 134 LEU   B HD22 1 c 2 
ATOM   3694 H HD23 . LEU   B 1 122 ? -28.913 4.213   -0.35   1   34.091 ? 134 LEU   B HD23 1 c 2 
ATOM   3695 N N    . LEU   B 1 123 ? -26.881 9.05    -2.422  1   36.329 ? 135 LEU   B N    1 ? 2 
ATOM   3696 C CA   . LEU   B 1 123 ? -27.571 10.324  -2.516  1   37.193 ? 135 LEU   B CA   1 ? 2 
ATOM   3697 C C    . LEU   B 1 123 ? -29.07  10.106  -2.322  1   40.061 ? 135 LEU   B C    1 ? 2 
ATOM   3698 O O    . LEU   B 1 123 ? -29.734 10.852  -1.592  1   42.904 ? 135 LEU   B O    1 ? 2 
ATOM   3699 C CB   . LEU   B 1 123 ? -27.314 10.974  -3.872  1   38.513 ? 135 LEU   B CB   1 ? 2 
ATOM   3700 C CG   . LEU   B 1 123 ? -25.865 11.356  -4.172  1   38.043 ? 135 LEU   B CG   1 ? 2 
ATOM   3701 C CD1  . LEU   B 1 123 ? -25.854 11.916  -5.594  1   40.249 ? 135 LEU   B CD1  1 ? 2 
ATOM   3702 C CD2  . LEU   B 1 123 ? -25.241 12.374  -3.232  1   41.36  ? 135 LEU   B CD2  1 ? 2 
ATOM   3703 H H    . LEU   B 1 123 ? -26.713 8.601   -3.201  1   35.31  ? 135 LEU   B H    1 c 2 
ATOM   3704 H HA   . LEU   B 1 123 ? -27.237 10.918  -1.797  1   37.973 ? 135 LEU   B HA   1 c 2 
ATOM   3705 H HB2  . LEU   B 1 123 ? -27.625 10.357  -4.573  1   38.081 ? 135 LEU   B HB2  1 c 2 
ATOM   3706 H HB3  . LEU   B 1 123 ? -27.866 11.788  -3.931  1   39.93  ? 135 LEU   B HB3  1 c 2 
ATOM   3707 H HG   . LEU   B 1 123 ? -25.313 10.532  -4.155  1   36.997 ? 135 LEU   B HG   1 c 2 
ATOM   3708 H HD11 . LEU   B 1 123 ? -26.228 11.26   -6.204  1   39.435 ? 135 LEU   B HD11 1 c 2 
ATOM   3709 H HD12 . LEU   B 1 123 ? -24.941 12.117  -5.856  1   39.676 ? 135 LEU   B HD12 1 c 2 
ATOM   3710 H HD13 . LEU   B 1 123 ? -26.386 12.729  -5.627  1   41.594 ? 135 LEU   B HD13 1 c 2 
ATOM   3711 H HD21 . LEU   B 1 123 ? -25.261 12.033  -2.322  1   40.31  ? 135 LEU   B HD21 1 c 2 
ATOM   3712 H HD22 . LEU   B 1 123 ? -25.741 13.207  -3.275  1   42.525 ? 135 LEU   B HD22 1 c 2 
ATOM   3713 H HD23 . LEU   B 1 123 ? -24.319 12.538  -3.495  1   40.528 ? 135 LEU   B HD23 1 c 2 
ATOM   3714 N N    . ASP   B 1 124 ? -29.607 9.085   -2.992  1   38.12  ? 136 ASP   B N    1 ? 2 
ATOM   3715 C CA   . ASP   B 1 124 ? -31.037 8.825   -2.96   1   41.051 ? 136 ASP   B CA   1 ? 2 
ATOM   3716 C C    . ASP   B 1 124 ? -31.293 7.489   -3.639  1   39.09  ? 136 ASP   B C    1 ? 2 
ATOM   3717 O O    . ASP   B 1 124 ? -30.411 6.955   -4.296  1   34.606 ? 136 ASP   B O    1 ? 2 
ATOM   3718 C CB   . ASP   B 1 124 ? -31.844 9.912   -3.66   1   46.815 ? 136 ASP   B CB   1 ? 2 
ATOM   3719 C CG   . ASP   B 1 124 ? -33.303 10.021  -3.26   1   51.602 ? 136 ASP   B CG   1 ? 2 
ATOM   3720 O OD1  . ASP   B 1 124 ? -33.732 9.277   -2.324  1   54.357 ? 136 ASP   B OD1  1 ? 2 
ATOM   3721 O OD2  . ASP   B 1 124 ? -33.989 10.852  -3.884  1   55.249 ? 136 ASP   B OD2  1 ? 2 
ATOM   3722 H H    . ASP   B 1 124 ? -29.069 8.539   -3.49   1   37.266 ? 136 ASP   B H    1 c 2 
ATOM   3723 H HA   . ASP   B 1 124 ? -31.321 8.764   -2.02   1   41.353 ? 136 ASP   B HA   1 c 2 
ATOM   3724 H HB2  . ASP   B 1 124 ? -31.428 10.783  -3.496  1   46.917 ? 136 ASP   B HB2  1 c 2 
ATOM   3725 H HB3  . ASP   B 1 124 ? -31.812 9.75    -4.626  1   46.4   ? 136 ASP   B HB3  1 c 2 
ATOM   3726 N N    . PHE   B 1 125 ? -32.495 6.952   -3.439  1   41.793 ? 137 PHE   B N    1 ? 2 
ATOM   3727 C CA   . PHE   B 1 125 ? -32.978 5.816   -4.193  1   43.046 ? 137 PHE   B CA   1 ? 2 
ATOM   3728 C C    . PHE   B 1 125 ? -34.505 5.818   -4.194  1   46.703 ? 137 PHE   B C    1 ? 2 
ATOM   3729 O O    . PHE   B 1 125 ? -35.112 6.281   -3.236  1   51.691 ? 137 PHE   B O    1 ? 2 
ATOM   3730 C CB   . PHE   B 1 125 ? -32.399 4.544   -3.582  1   40.257 ? 137 PHE   B CB   1 ? 2 
ATOM   3731 C CG   . PHE   B 1 125 ? -32.782 4.313   -2.127  1   41.417 ? 137 PHE   B CG   1 ? 2 
ATOM   3732 C CD1  . PHE   B 1 125 ? -33.914 3.613   -1.773  1   45.859 ? 137 PHE   B CD1  1 ? 2 
ATOM   3733 C CD2  . PHE   B 1 125 ? -31.928 4.761   -1.14   1   39.953 ? 137 PHE   B CD2  1 ? 2 
ATOM   3734 C CE1  . PHE   B 1 125 ? -34.195 3.371   -0.438  1   47.779 ? 137 PHE   B CE1  1 ? 2 
ATOM   3735 C CE2  . PHE   B 1 125 ? -32.172 4.486   0.179   1   42.641 ? 137 PHE   B CE2  1 ? 2 
ATOM   3736 C CZ   . PHE   B 1 125 ? -33.348 3.843   0.534   1   46.975 ? 137 PHE   B CZ   1 ? 2 
ATOM   3737 H H    . PHE   B 1 125 ? -33.035 7.307   -2.792  1   42.796 ? 137 PHE   B H    1 c 2 
ATOM   3738 H HA   . PHE   B 1 125 ? -32.656 5.898   -5.127  1   42.63  ? 137 PHE   B HA   1 c 2 
ATOM   3739 H HB2  . PHE   B 1 125 ? -32.705 3.776   -4.114  1   40.423 ? 137 PHE   B HB2  1 c 2 
ATOM   3740 H HB3  . PHE   B 1 125 ? -31.419 4.582   -3.65   1   39.378 ? 137 PHE   B HB3  1 c 2 
ATOM   3741 H HD1  . PHE   B 1 125 ? -34.502 3.301   -2.443  1   45.917 ? 137 PHE   B HD1  1 c 2 
ATOM   3742 H HD2  . PHE   B 1 125 ? -31.13  5.203   -1.383  1   39.689 ? 137 PHE   B HD2  1 c 2 
ATOM   3743 H HE1  . PHE   B 1 125 ? -34.986 2.915   -0.198  1   48.637 ? 137 PHE   B HE1  1 c 2 
ATOM   3744 H HE2  . PHE   B 1 125 ? -31.598 4.827   0.847   1   42.235 ? 137 PHE   B HE2  1 c 2 
ATOM   3745 H HZ   . PHE   B 1 125 ? -33.537 3.676   1.444   1   46.802 ? 137 PHE   B HZ   1 c 2 
ATOM   3746 N N    . LYS   B 1 126 ? -35.088 5.293   -5.282  1   47.656 ? 138 LYS   B N    1 ? 2 
ATOM   3747 C CA   . LYS   B 1 126 ? -36.527 5.223   -5.517  1   49.136 ? 138 LYS   B CA   1 ? 2 
ATOM   3748 C C    . LYS   B 1 126 ? -36.882 3.819   -6.013  1   49.101 ? 138 LYS   B C    1 ? 2 
ATOM   3749 O O    . LYS   B 1 126 ? -36.101 3.191   -6.736  1   44.94  ? 138 LYS   B O    1 ? 2 
ATOM   3750 C CB   . LYS   B 1 126 ? -37.026 6.243   -6.554  1   49.942 ? 138 LYS   B CB   1 ? 2 
ATOM   3751 H H    . LYS   B 1 126 ? -34.541 4.95    -5.929  1   46.345 ? 138 LYS   B H    1 c 2 
ATOM   3752 H HA   . LYS   B 1 126 ? -36.994 5.385   -4.658  1   50.094 ? 138 LYS   B HA   1 c 2 
ATOM   3753 H HB2  . LYS   B 1 126 ? -36.258 6.678   -7.009  0   20     ? 138 LYS   B HB2  1 c 2 
ATOM   3754 H HB3  . LYS   B 1 126 ? -38.012 6.25    -6.57   0   20     ? 138 LYS   B HB3  1 c 2 
ATOM   3755 N N    . GLY   B 1 127 ? -38.069 3.344   -5.609  1   51.703 ? 139 GLY   B N    1 ? 2 
ATOM   3756 C CA   . GLY   B 1 127 ? -38.532 1.99    -5.896  1   52.514 ? 139 GLY   B CA   1 ? 2 
ATOM   3757 C C    . GLY   B 1 127 ? -38.859 1.828   -7.371  1   54.358 ? 139 GLY   B C    1 ? 2 
ATOM   3758 O O    . GLY   B 1 127 ? -39.287 2.789   -7.996  1   58.081 ? 139 GLY   B O    1 ? 2 
ATOM   3759 H H    . GLY   B 1 127 ? -38.621 3.895   -5.132  1   52.904 ? 139 GLY   B H    1 c 2 
ATOM   3760 H HA2  . GLY   B 1 127 ? -37.833 1.35    -5.64   1   50.839 ? 139 GLY   B HA2  1 c 2 
ATOM   3761 H HA3  . GLY   B 1 127 ? -39.334 1.8     -5.355  1   54.186 ? 139 GLY   B HA3  1 c 2 
ATOM   3762 N N    . GLU   B 1 128 ? -38.633 0.637   -7.936  1   54.486 ? 140 GLU   B N    1 ? 2 
ATOM   3763 C CA   . GLU   B 1 128 ? -38.921 0.432   -9.349  1   56.912 ? 140 GLU   B CA   1 ? 2 
ATOM   3764 C C    . GLU   B 1 128 ? -40.445 0.466   -9.505  1   61.658 ? 140 GLU   B C    1 ? 2 
ATOM   3765 O O    . GLU   B 1 128 ? -41.124 -0.218  -8.707  1   64.821 ? 140 GLU   B O    1 ? 2 
ATOM   3766 C CB   . GLU   B 1 128 ? -38.267 -0.804  -9.967  1   53.215 ? 140 GLU   B CB   1 ? 2 
ATOM   3767 O OXT  . GLU   B 1 128 ? -40.895 1.234   -10.367 1   64.622 ? 140 GLU   B OXT  1 ? 2 
ATOM   3768 H H    . GLU   B 1 128 ? -38.303 -0.055  -7.438  1   53.566 ? 140 GLU   B H    1 c 2 
ATOM   3769 H HA   . GLU   B 1 128 ? -38.554 1.211   -9.841  1   56.079 ? 140 GLU   B HA   1 c 2 
ATOM   3770 H HB2  . GLU   B 1 128 ? -37.35  -0.805  -9.832  0   20     ? 140 GLU   B HB2  1 c 2 
ATOM   3771 H HB3  . GLU   B 1 128 ? -39.051 -1.487  -10.132 0   20     ? 140 GLU   B HB3  1 c 2 
HETATM 3772 C C4   . A1INM C 2 .   ? -5.725  -18.093 -19.571 1   26.34  ? 201 A1INM A C4   1 ? 1 
HETATM 3773 C C14  . A1INM C 2 .   ? -10.603 -15.356 -18.427 1   25.813 ? 201 A1INM A C14  1 ? 1 
HETATM 3774 C C5   . A1INM C 2 .   ? -5.983  -19.317 -18.977 1   27.569 ? 201 A1INM A C5   1 ? 1 
HETATM 3775 C C6   . A1INM C 2 .   ? -6.035  -19.419 -17.589 1   29.669 ? 201 A1INM A C6   1 ? 1 
HETATM 3776 C C11  . A1INM C 2 .   ? -9.538  -17.401 -16.428 1   30.453 ? 201 A1INM A C11  1 ? 1 
HETATM 3777 C C7   . A1INM C 2 .   ? -6.749  -21.667 -17.652 1   34.476 ? 201 A1INM A C7   1 ? 1 
HETATM 3778 C C8   . A1INM C 2 .   ? -5.905  -18.301 -16.79  1   28.75  ? 201 A1INM A C8   1 ? 1 
HETATM 3779 C C9   . A1INM C 2 .   ? -6.999  -17.96  -14.571 1   32.497 ? 201 A1INM A C9   1 ? 1 
HETATM 3780 C C10  . A1INM C 2 .   ? -8.248  -18.768 -14.762 1   32.793 ? 201 A1INM A C10  1 ? 1 
HETATM 3781 C C12  . A1INM C 2 .   ? -10.154 -17.705 -17.612 1   29.713 ? 201 A1INM A C12  1 ? 1 
HETATM 3782 C C13  . A1INM C 2 .   ? -10.932 -16.841 -18.552 1   27.814 ? 201 A1INM A C13  1 ? 1 
HETATM 3783 N N1   . A1INM C 2 .   ? -9.036  -18.556 -15.965 1   31.826 ? 201 A1INM A N1   1 ? 1 
HETATM 3784 N N2   . A1INM C 2 .   ? -9.964  -19.036 -17.838 1   30.906 ? 201 A1INM A N2   1 ? 1 
HETATM 3785 C C3   . A1INM C 2 .   ? -5.552  -16.967 -18.765 1   25.027 ? 201 A1INM A C3   1 ? 1 
HETATM 3786 N N3   . A1INM C 2 .   ? -9.279  -19.567 -16.841 1   32.095 ? 201 A1INM A N3   1 ? 1 
HETATM 3787 C C1   . A1INM C 2 .   ? -5.215  -14.773 -17.02  1   25.025 ? 201 A1INM A C1   1 ? 1 
HETATM 3788 O O1   . A1INM C 2 .   ? -5.496  -16.05  -16.504 1   29.041 ? 201 A1INM A O1   1 ? 1 
HETATM 3789 C C2   . A1INM C 2 .   ? -5.658  -17.075 -17.378 1   28.115 ? 201 A1INM A C2   1 ? 1 
HETATM 3790 O O2   . A1INM C 2 .   ? -6.264  -20.557 -16.901 1   32.466 ? 201 A1INM A O2   1 ? 1 
HETATM 3791 O O3   . A1INM C 2 .   ? -5.94   -18.486 -15.413 1   30.533 ? 201 A1INM A O3   1 ? 1 
HETATM 3792 C C15  . A1INM C 2 .   ? -9.185  -14.978 -18.786 1   24.591 ? 201 A1INM A C15  1 ? 1 
HETATM 3793 O O4   . A1INM C 2 .   ? -8.703  -15.694 -19.96  1   23.187 ? 201 A1INM A O4   1 ? 1 
HETATM 3794 C C16  . A1INM C 2 .   ? -9.089  -15.134 -21.113 1   25.073 ? 201 A1INM A C16  1 ? 1 
HETATM 3795 O O5   . A1INM C 2 .   ? -9.782  -14.157 -21.201 1   23.198 ? 201 A1INM A O5   1 ? 1 
HETATM 3796 C C17  . A1INM C 2 .   ? -8.501  -15.88  -22.315 1   24.539 ? 201 A1INM A C17  1 ? 1 
HETATM 3797 C C18  . A1INM C 2 .   ? -9.595  -16.224 -23.32  1   24.815 ? 201 A1INM A C18  1 ? 1 
HETATM 3798 C C19  . A1INM C 2 .   ? -10.434 -17.376 -22.879 1   26.15  ? 201 A1INM A C19  1 ? 1 
HETATM 3799 C C20  . A1INM C 2 .   ? -9.58   -18.585 -22.556 1   27.203 ? 201 A1INM A C20  1 ? 1 
HETATM 3800 C C21  . A1INM C 2 .   ? -8.489  -18.262 -21.538 1   25.968 ? 201 A1INM A C21  1 ? 1 
HETATM 3801 N N4   . A1INM C 2 .   ? -7.703  -17.058 -21.927 1   24.709 ? 201 A1INM A N4   1 ? 1 
HETATM 3802 C C22  . A1INM C 2 .   ? -6.39   -16.872 -21.663 1   23.05  ? 201 A1INM A C22  1 ? 1 
HETATM 3803 O O6   . A1INM C 2 .   ? -5.859  -15.76  -21.738 1   24.651 ? 201 A1INM A O6   1 ? 1 
HETATM 3804 C C23  . A1INM C 2 .   ? -5.571  -18.016 -21.095 1   26.014 ? 201 A1INM A C23  1 ? 1 
HETATM 3805 C C24  . A1INM C 2 .   ? -4.075  -17.815 -21.446 1   26.667 ? 201 A1INM A C24  1 ? 1 
HETATM 3806 C C25  . A1INM C 2 .   ? -3.839  -18.009 -22.951 1   25.867 ? 201 A1INM A C25  1 ? 1 
HETATM 3807 C C26  . A1INM C 2 .   ? -2.366  -17.817 -23.266 1   27.168 ? 201 A1INM A C26  1 ? 1 
HETATM 3808 C C27  . A1INM C 2 .   ? -1.478  -18.831 -22.567 1   28.389 ? 201 A1INM A C27  1 ? 1 
HETATM 3809 C C28  . A1INM C 2 .   ? -1.706  -18.74  -21.08  1   28.52  ? 201 A1INM A C28  1 ? 1 
HETATM 3810 C C29  . A1INM C 2 .   ? -3.189  -18.806 -20.688 1   27.38  ? 201 A1INM A C29  1 ? 1 
HETATM 3811 H H17  . A1INM C 2 .   ? -11.21  -14.859 -19.004 1   25.287 ? 201 A1INM A H17  1 c 1 
HETATM 3812 H H16  . A1INM C 2 .   ? -10.775 -15.08  -17.51  1   26.823 ? 201 A1INM A H16  1 c 1 
HETATM 3813 H H5   . A1INM C 2 .   ? -6.058  -20.089 -19.515 1   28.075 ? 201 A1INM A H5   1 c 1 
HETATM 3814 H H13  . A1INM C 2 .   ? -9.504  -16.567 -16.002 1   30.321 ? 201 A1INM A H13  1 c 1 
HETATM 3815 H H7   . A1INM C 2 .   ? -6.979  -22.389 -17.046 1   35.676 ? 201 A1INM A H7   1 c 1 
HETATM 3816 H H8   . A1INM C 2 .   ? -6.061  -21.97  -18.267 1   34.022 ? 201 A1INM A H8   1 c 1 
HETATM 3817 H H6   . A1INM C 2 .   ? -7.539  -21.401 -18.152 1   33.271 ? 201 A1INM A H6   1 c 1 
HETATM 3818 H H9   . A1INM C 2 .   ? -7.174  -17.025 -14.808 1   30.967 ? 201 A1INM A H9   1 c 1 
HETATM 3819 H H10  . A1INM C 2 .   ? -6.722  -18.001 -13.632 1   33.667 ? 201 A1INM A H10  1 c 1 
HETATM 3820 H H12  . A1INM C 2 .   ? -8.006  -19.715 -14.732 1   33.76  ? 201 A1INM A H12  1 c 1 
HETATM 3821 H H11  . A1INM C 2 .   ? -8.834  -18.609 -13.996 1   33.736 ? 201 A1INM A H11  1 c 1 
HETATM 3822 H H15  . A1INM C 2 .   ? -10.753 -17.131 -19.466 1   27.051 ? 201 A1INM A H15  1 c 1 
HETATM 3823 H H14  . A1INM C 2 .   ? -11.883 -16.969 -18.38  1   28.077 ? 201 A1INM A H14  1 c 1 
HETATM 3824 H H4   . A1INM C 2 .   ? -5.382  -16.129 -19.165 1   24.608 ? 201 A1INM A H4   1 c 1 
HETATM 3825 H H2   . A1INM C 2 .   ? -5.109  -14.146 -16.287 1   26.014 ? 201 A1INM A H2   1 c 1 
HETATM 3826 H H3   . A1INM C 2 .   ? -5.947  -14.485 -17.588 1   24.778 ? 201 A1INM A H3   1 c 1 
HETATM 3827 H H1   . A1INM C 2 .   ? -4.394  -14.805 -17.538 1   25.253 ? 201 A1INM A H1   1 c 1 
HETATM 3828 H H19  . A1INM C 2 .   ? -9.133  -14.012 -18.939 1   24.041 ? 201 A1INM A H19  1 c 1 
HETATM 3829 H H18  . A1INM C 2 .   ? -8.611  -15.185 -18.021 1   25.308 ? 201 A1INM A H18  1 c 1 
HETATM 3830 H H20  . A1INM C 2 .   ? -7.877  -15.251 -22.764 1   23.93  ? 201 A1INM A H20  1 c 1 
HETATM 3831 H H22  . A1INM C 2 .   ? -10.174 -15.435 -23.456 1   24.286 ? 201 A1INM A H22  1 c 1 
HETATM 3832 H H21  . A1INM C 2 .   ? -9.177  -16.444 -24.186 1   24.746 ? 201 A1INM A H21  1 c 1 
HETATM 3833 H H23  . A1INM C 2 .   ? -11.074 -17.607 -23.591 1   26.047 ? 201 A1INM A H23  1 c 1 
HETATM 3834 H H24  . A1INM C 2 .   ? -10.951 -17.118 -22.081 1   26.361 ? 201 A1INM A H24  1 c 1 
HETATM 3835 H H25  . A1INM C 2 .   ? -9.163  -18.916 -23.38  1   26.91  ? 201 A1INM A H25  1 c 1 
HETATM 3836 H H26  . A1INM C 2 .   ? -10.15  -19.3   -22.201 1   27.764 ? 201 A1INM A H26  1 c 1 
HETATM 3837 H H27  . A1INM C 2 .   ? -7.888  -19.035 -21.457 1   26.789 ? 201 A1INM A H27  1 c 1 
HETATM 3838 H H28  . A1INM C 2 .   ? -8.903  -18.108 -20.659 1   26.558 ? 201 A1INM A H28  1 c 1 
HETATM 3839 H H29  . A1INM C 2 .   ? -5.886  -18.871 -21.488 1   26.117 ? 201 A1INM A H29  1 c 1 
HETATM 3840 H H30  . A1INM C 2 .   ? -3.804  -16.893 -21.197 1   25.925 ? 201 A1INM A H30  1 c 1 
HETATM 3841 H H32  . A1INM C 2 .   ? -4.12   -18.908 -23.216 1   26.732 ? 201 A1INM A H32  1 c 1 
HETATM 3842 H H31  . A1INM C 2 .   ? -4.369  -17.36  -23.455 1   25.388 ? 201 A1INM A H31  1 c 1 
HETATM 3843 H H33  . A1INM C 2 .   ? -2.095  -16.912 -22.994 1   26.595 ? 201 A1INM A H33  1 c 1 
HETATM 3844 H H34  . A1INM C 2 .   ? -2.234  -17.891 -24.237 1   27.181 ? 201 A1INM A H34  1 c 1 
HETATM 3845 H H35  . A1INM C 2 .   ? -0.536  -18.646 -22.771 1   28.894 ? 201 A1INM A H35  1 c 1 
HETATM 3846 H H36  . A1INM C 2 .   ? -1.694  -19.736 -22.882 1   29.095 ? 201 A1INM A H36  1 c 1 
HETATM 3847 H H37  . A1INM C 2 .   ? -1.323  -17.9   -20.748 1   28.076 ? 201 A1INM A H37  1 c 1 
HETATM 3848 H H38  . A1INM C 2 .   ? -1.229  -19.478 -20.639 1   29.599 ? 201 A1INM A H38  1 c 1 
HETATM 3849 H H40  . A1INM C 2 .   ? -3.519  -19.713 -20.85  1   28.226 ? 201 A1INM A H40  1 c 1 
HETATM 3850 H H39  . A1INM C 2 .   ? -3.265  -18.631 -19.728 1   27.878 ? 201 A1INM A H39  1 c 1 
HETATM 3851 C C4   . A1INM D 2 .   ? -15.385 2.597   -14.616 1   29.861 ? 201 A1INM B C4   1 ? 2 
HETATM 3852 C C14  . A1INM D 2 .   ? -20.381 0.136   -15.408 1   30.319 ? 201 A1INM B C14  1 ? 2 
HETATM 3853 C C5   . A1INM D 2 .   ? -15.573 3.839   -15.21  1   32.073 ? 201 A1INM B C5   1 ? 2 
HETATM 3854 C C6   . A1INM D 2 .   ? -15.737 3.969   -16.577 1   33.036 ? 201 A1INM B C6   1 ? 2 
HETATM 3855 C C11  . A1INM D 2 .   ? -19.273 1.954   -17.632 1   35.016 ? 201 A1INM B C11  1 ? 2 
HETATM 3856 C C7   . A1INM D 2 .   ? -16.142 6.349   -16.505 1   37.284 ? 201 A1INM B C7   1 ? 2 
HETATM 3857 C C8   . A1INM D 2 .   ? -15.667 2.845   -17.385 1   32.684 ? 201 A1INM B C8   1 ? 2 
HETATM 3858 C C9   . A1INM D 2 .   ? -16.831 2.316   -19.423 1   37.096 ? 201 A1INM B C9   1 ? 2 
HETATM 3859 C C10  . A1INM D 2 .   ? -18.056 3.189   -19.486 1   37.979 ? 201 A1INM B C10  1 ? 2 
HETATM 3860 C C12  . A1INM D 2 .   ? -19.867 2.395   -16.474 1   34.153 ? 201 A1INM B C12  1 ? 2 
HETATM 3861 C C13  . A1INM D 2 .   ? -20.577 1.65    -15.39  1   34.885 ? 201 A1INM B C13  1 ? 2 
HETATM 3862 N N1   . A1INM D 2 .   ? -18.774 3.061   -18.213 1   36.834 ? 201 A1INM B N1   1 ? 2 
HETATM 3863 N N2   . A1INM D 2 .   ? -19.65  3.741   -16.373 1   36.715 ? 201 A1INM B N2   1 ? 2 
HETATM 3864 C C3   . A1INM D 2 .   ? -15.306 1.469   -15.418 1   30.621 ? 201 A1INM B C3   1 ? 2 
HETATM 3865 N N3   . A1INM D 2 .   ? -18.955 4.146   -17.416 1   37.112 ? 201 A1INM B N3   1 ? 2 
HETATM 3866 C C1   . A1INM D 2 .   ? -15.255 -0.756  -17.114 1   32.763 ? 201 A1INM B C1   1 ? 2 
HETATM 3867 O O1   . A1INM D 2 .   ? -15.402 0.544   -17.675 1   33.743 ? 201 A1INM B O1   1 ? 2 
HETATM 3868 C C2   . A1INM D 2 .   ? -15.435 1.595   -16.802 1   32.11  ? 201 A1INM B C2   1 ? 2 
HETATM 3869 O O2   . A1INM D 2 .   ? -15.939 5.156   -17.244 1   35.282 ? 201 A1INM B O2   1 ? 2 
HETATM 3870 O O3   . A1INM D 2 .   ? -15.818 3.054   -18.748 1   35.919 ? 201 A1INM B O3   1 ? 2 
HETATM 3871 C C15  . A1INM D 2 .   ? -18.958 -0.309  -15.206 1   28.176 ? 201 A1INM B C15  1 ? 2 
HETATM 3872 O O4   . A1INM D 2 .   ? -18.412 0.3     -14.028 1   26.937 ? 201 A1INM B O4   1 ? 2 
HETATM 3873 C C16  . A1INM D 2 .   ? -18.735 -0.246  -12.837 1   27.291 ? 201 A1INM B C16  1 ? 2 
HETATM 3874 O O5   . A1INM D 2 .   ? -19.465 -1.177  -12.655 1   26.78  ? 201 A1INM B O5   1 ? 2 
HETATM 3875 C C17  . A1INM D 2 .   ? -18.028 0.464   -11.691 1   26.649 ? 201 A1INM B C17  1 ? 2 
HETATM 3876 C C18  . A1INM D 2 .   ? -19.067 0.865   -10.627 1   24.612 ? 201 A1INM B C18  1 ? 2 
HETATM 3877 C C19  . A1INM D 2 .   ? -19.916 2.055   -11.096 1   26.092 ? 201 A1INM B C19  1 ? 2 
HETATM 3878 C C20  . A1INM D 2 .   ? -19.023 3.249   -11.425 1   26.512 ? 201 A1INM B C20  1 ? 2 
HETATM 3879 C C21  . A1INM D 2 .   ? -17.918 2.895   -12.446 1   27.166 ? 201 A1INM B C21  1 ? 2 
HETATM 3880 N N4   . A1INM D 2 .   ? -17.222 1.615   -12.129 1   26.848 ? 201 A1INM B N4   1 ? 2 
HETATM 3881 C C22  . A1INM D 2 .   ? -15.942 1.376   -12.49  1   27.192 ? 201 A1INM B C22  1 ? 2 
HETATM 3882 O O6   . A1INM D 2 .   ? -15.439 0.229   -12.42  1   27.251 ? 201 A1INM B O6   1 ? 2 
HETATM 3883 C C23  . A1INM D 2 .   ? -15.123 2.494   -13.128 1   29.239 ? 201 A1INM B C23  1 ? 2 
HETATM 3884 C C24  . A1INM D 2 .   ? -13.619 2.237   -12.841 1   30.113 ? 201 A1INM B C24  1 ? 2 
HETATM 3885 C C25  . A1INM D 2 .   ? -13.271 2.382   -11.36  1   30.472 ? 201 A1INM B C25  1 ? 2 
HETATM 3886 C C26  . A1INM D 2 .   ? -11.798 2.046   -11.107 1   32.41  ? 201 A1INM B C26  1 ? 2 
HETATM 3887 C C27  . A1INM D 2 .   ? -10.839 2.89    -11.905 1   33.37  ? 201 A1INM B C27  1 ? 2 
HETATM 3888 C C28  . A1INM D 2 .   ? -11.226 2.939   -13.367 1   33.182 ? 201 A1INM B C28  1 ? 2 
HETATM 3889 C C29  . A1INM D 2 .   ? -12.697 3.198   -13.595 1   32.344 ? 201 A1INM B C29  1 ? 2 
HETATM 3890 H H17  . A1INM D 2 .   ? -20.933 -0.255  -14.708 1   29.997 ? 201 A1INM B H17  1 c 2 
HETATM 3891 H H16  . A1INM D 2 .   ? -20.696 -0.206  -16.264 1   31.389 ? 201 A1INM B H16  1 c 2 
HETATM 3892 H H5   . A1INM D 2 .   ? -15.604 4.607   -14.663 1   32.357 ? 201 A1INM B H5   1 c 2 
HETATM 3893 H H13  . A1INM D 2 .   ? -19.279 1.08    -17.983 1   34.64  ? 201 A1INM B H13  1 c 2 
HETATM 3894 H H7   . A1INM D 2 .   ? -16.317 7.082   -17.117 1   38.33  ? 201 A1INM B H7   1 c 2 
HETATM 3895 H H8   . A1INM D 2 .   ? -15.348 6.546   -15.983 1   36.743 ? 201 A1INM B H8   1 c 2 
HETATM 3896 H H6   . A1INM D 2 .   ? -16.902 6.236   -15.911 1   36.437 ? 201 A1INM B H6   1 c 2 
HETATM 3897 H H9   . A1INM D 2 .   ? -17.032 1.489   -18.942 1   35.957 ? 201 A1INM B H9   1 c 2 
HETATM 3898 H H10  . A1INM D 2 .   ? -16.533 2.095   -20.33  1   37.721 ? 201 A1INM B H10  1 c 2 
HETATM 3899 H H12  . A1INM D 2 .   ? -17.786 4.12    -19.619 1   38.857 ? 201 A1INM B H12  1 c 2 
HETATM 3900 H H11  . A1INM D 2 .   ? -18.631 2.889   -20.218 1   38.717 ? 201 A1INM B H11  1 c 2 
HETATM 3901 H H15  . A1INM D 2 .   ? -20.274 1.994   -14.53  1   33.395 ? 201 A1INM B H15  1 c 2 
HETATM 3902 H H14  . A1INM D 2 .   ? -21.531 1.839   -15.461 1   34.298 ? 201 A1INM B H14  1 c 2 
HETATM 3903 H H4   . A1INM D 2 .   ? -15.134 0.627   -15.028 1   29.501 ? 201 A1INM B H4   1 c 2 
HETATM 3904 H H2   . A1INM D 2 .   ? -15.256 -1.415  -17.827 1   33.143 ? 201 A1INM B H2   1 c 2 
HETATM 3905 H H3   . A1INM D 2 .   ? -15.993 -0.935  -16.509 1   31.786 ? 201 A1INM B H3   1 c 2 
HETATM 3906 H H1   . A1INM D 2 .   ? -14.415 -0.809  -16.629 1   32.293 ? 201 A1INM B H1   1 c 2 
HETATM 3907 H H19  . A1INM D 2 .   ? -18.927 -1.284  -15.123 1   27.869 ? 201 A1INM B H19  1 c 2 
HETATM 3908 H H18  . A1INM D 2 .   ? -18.42  -0.059  -15.985 1   28.903 ? 201 A1INM B H18  1 c 2 
HETATM 3909 H H20  . A1INM D 2 .   ? -17.406 -0.19   -11.276 1   25.486 ? 201 A1INM B H20  1 c 2 
HETATM 3910 H H22  . A1INM D 2 .   ? -19.657 0.096   -10.434 1   24.41  ? 201 A1INM B H22  1 c 2 
HETATM 3911 H H21  . A1INM D 2 .   ? -18.599 1.107   -9.793  1   24.6   ? 201 A1INM B H21  1 c 2 
HETATM 3912 H H23  . A1INM D 2 .   ? -20.554 2.305   -10.389 1   25.82  ? 201 A1INM B H23  1 c 2 
HETATM 3913 H H24  . A1INM D 2 .   ? -20.433 1.8     -11.895 1   26.347 ? 201 A1INM B H24  1 c 2 
HETATM 3914 H H25  . A1INM D 2 .   ? -18.605 3.576   -10.6   1   26.375 ? 201 A1INM B H25  1 c 2 
HETATM 3915 H H26  . A1INM D 2 .   ? -19.575 3.974   -11.788 1   27.503 ? 201 A1INM B H26  1 c 2 
HETATM 3916 H H27  . A1INM D 2 .   ? -17.262 3.627   -12.466 1   27.685 ? 201 A1INM B H27  1 c 2 
HETATM 3917 H H28  . A1INM D 2 .   ? -18.318 2.827   -13.342 1   27.921 ? 201 A1INM B H28  1 c 2 
HETATM 3918 H H29  . A1INM D 2 .   ? -15.383 3.356   -12.712 1   29.666 ? 201 A1INM B H29  1 c 2 
HETATM 3919 H H30  . A1INM D 2 .   ? -13.398 1.311   -13.123 1   29.771 ? 201 A1INM B H30  1 c 2 
HETATM 3920 H H32  . A1INM D 2 .   ? -13.449 3.301   -11.071 1   31.102 ? 201 A1INM B H32  1 c 2 
HETATM 3921 H H31  . A1INM D 2 .   ? -13.835 1.783   -10.83  1   29.739 ? 201 A1INM B H31  1 c 2 
HETATM 3922 H H33  . A1INM D 2 .   ? -11.646 1.1     -11.325 1   31.394 ? 201 A1INM B H33  1 c 2 
HETATM 3923 H H34  . A1INM D 2 .   ? -11.605 2.165   -10.151 1   32.108 ? 201 A1INM B H34  1 c 2 
HETATM 3924 H H35  . A1INM D 2 .   ? -9.933  2.519   -11.822 1   33.573 ? 201 A1INM B H35  1 c 2 
HETATM 3925 H H36  . A1INM D 2 .   ? -10.828 3.802   -11.541 1   34.112 ? 201 A1INM B H36  1 c 2 
HETATM 3926 H H37  . A1INM D 2 .   ? -10.979 2.093   -13.795 1   32.934 ? 201 A1INM B H37  1 c 2 
HETATM 3927 H H38  . A1INM D 2 .   ? -10.71  3.652   -13.805 1   34.486 ? 201 A1INM B H38  1 c 2 
HETATM 3928 H H40  . A1INM D 2 .   ? -12.904 4.114   -13.32  1   33.007 ? 201 A1INM B H40  1 c 2 
HETATM 3929 H H39  . A1INM D 2 .   ? -12.882 3.128   -14.552 1   32.69  ? 201 A1INM B H39  1 c 2 
HETATM 3930 O O    . HOH   E 3 .   ? 1.755   -10.17  -36.333 1   39.103 ? 301 HOH   A O    1 ? ? 
HETATM 3931 O O    . HOH   E 3 .   ? -20.177 -28.452 -42.761 1   43.025 ? 302 HOH   A O    1 ? ? 
HETATM 3932 O O    . HOH   E 3 .   ? -14.074 -13.884 -40.502 1   39.464 ? 303 HOH   A O    1 ? ? 
HETATM 3933 O O    . HOH   E 3 .   ? 4.289   -8.921  -27.659 1   36.398 ? 304 HOH   A O    1 ? ? 
HETATM 3934 O O    . HOH   E 3 .   ? -25.091 -15.674 -22.081 1   39.415 ? 305 HOH   A O    1 ? ? 
HETATM 3935 O O    . HOH   E 3 .   ? -17.226 -15.966 -39.91  1   40.545 ? 306 HOH   A O    1 ? ? 
HETATM 3936 O O    . HOH   E 3 .   ? 0.763   -9.491  -43.426 1   37.666 ? 307 HOH   A O    1 ? ? 
HETATM 3937 O O    . HOH   E 3 .   ? -23.699 -19.898 -37.433 1   38.429 ? 308 HOH   A O    1 ? ? 
HETATM 3938 O O    . HOH   E 3 .   ? -5.736  -21.026 -14.337 1   44.524 ? 309 HOH   A O    1 ? ? 
HETATM 3939 O O    . HOH   E 3 .   ? -12.02  -7.941  -20.877 1   24.653 ? 310 HOH   A O    1 ? ? 
HETATM 3940 O O    . HOH   E 3 .   ? -15.823 -30.446 -32.813 1   44.926 ? 311 HOH   A O    1 ? ? 
HETATM 3941 O O    . HOH   E 3 .   ? -27.692 -14.974 -31.705 1   43.207 ? 312 HOH   A O    1 ? ? 
HETATM 3942 O O    . HOH   E 3 .   ? 0.529   -8.522  -21.46  1   25.768 ? 313 HOH   A O    1 ? ? 
HETATM 3943 O O    . HOH   E 3 .   ? -16.268 -8.264  -34.014 1   30.631 ? 314 HOH   A O    1 ? ? 
HETATM 3944 O O    . HOH   E 3 .   ? -2.375  -9.091  -33.909 1   32.003 ? 315 HOH   A O    1 ? ? 
HETATM 3945 O O    . HOH   E 3 .   ? -5.568  1.754   -31.749 1   44.881 ? 316 HOH   A O    1 ? ? 
HETATM 3946 O O    . HOH   E 3 .   ? -5.402  -3.461  -41.094 1   38.227 ? 317 HOH   A O    1 ? ? 
HETATM 3947 O O    . HOH   E 3 .   ? 4.114   -24.239 -23.844 1   49.023 ? 318 HOH   A O    1 ? ? 
HETATM 3948 O O    . HOH   E 3 .   ? -14.769 -6.661  -24.391 1   30.466 ? 319 HOH   A O    1 ? ? 
HETATM 3949 O O    . HOH   E 3 .   ? -14.718 -7.31   -17.482 1   40.784 ? 320 HOH   A O    1 ? ? 
HETATM 3950 O O    . HOH   E 3 .   ? -1.195  -9.59   -23.345 1   25.518 ? 321 HOH   A O    1 ? ? 
HETATM 3951 O O    . HOH   E 3 .   ? -2.482  -19.75  -39.018 1   43.259 ? 322 HOH   A O    1 ? ? 
HETATM 3952 O O    . HOH   E 3 .   ? -29.574 -13.718 -29.27  1   39.347 ? 323 HOH   A O    1 ? ? 
HETATM 3953 O O    . HOH   E 3 .   ? 1.995   -24.539 -20.536 1   38.474 ? 324 HOH   A O    1 ? ? 
HETATM 3954 O O    . HOH   E 3 .   ? -17.402 -11.469 -22.401 1   25.653 ? 325 HOH   A O    1 ? ? 
HETATM 3955 O O    . HOH   E 3 .   ? -8.397  -7.287  -23.073 1   23.43  ? 326 HOH   A O    1 ? ? 
HETATM 3956 O O    . HOH   E 3 .   ? -6.248  -1.679  -24.044 1   32.008 ? 327 HOH   A O    1 ? ? 
HETATM 3957 O O    . HOH   E 3 .   ? -16.442 -17.936 -18.501 1   39.124 ? 328 HOH   A O    1 ? ? 
HETATM 3958 O O    . HOH   E 3 .   ? 2.132   -8.521  -31.773 1   35.32  ? 329 HOH   A O    1 ? ? 
HETATM 3959 O O    . HOH   E 3 .   ? -1.944  -22.697 -39.741 1   46.096 ? 330 HOH   A O    1 ? ? 
HETATM 3960 O O    . HOH   E 3 .   ? -10.462 -1.398  -32.474 1   31.868 ? 331 HOH   A O    1 ? ? 
HETATM 3961 O O    . HOH   E 3 .   ? 7.677   -8.627  -21.269 1   42.121 ? 332 HOH   A O    1 ? ? 
HETATM 3962 O O    . HOH   E 3 .   ? 0.729   -8.473  -13.788 1   37.033 ? 333 HOH   A O    1 ? ? 
HETATM 3963 O O    . HOH   E 3 .   ? 1.665   -7.878  -37.735 1   42.864 ? 334 HOH   A O    1 ? ? 
HETATM 3964 O O    . HOH   E 3 .   ? -4.485  -16.486 -13.896 1   36.65  ? 335 HOH   A O    1 ? ? 
HETATM 3965 O O    . HOH   E 3 .   ? -10.1   -21.305 -19.526 1   33.427 ? 336 HOH   A O    1 ? ? 
HETATM 3966 O O    . HOH   E 3 .   ? -12.491 -3.588  -32.599 1   41.158 ? 337 HOH   A O    1 ? ? 
HETATM 3967 O O    . HOH   E 3 .   ? -18.737 -5.398  -25.545 1   36.685 ? 338 HOH   A O    1 ? ? 
HETATM 3968 O O    . HOH   E 3 .   ? 1.593   -0.964  -16.864 1   42.38  ? 339 HOH   A O    1 ? ? 
HETATM 3969 O O    . HOH   E 3 .   ? -18.697 -9.026  -28.491 1   32.618 ? 340 HOH   A O    1 ? ? 
HETATM 3970 O O    . HOH   E 3 .   ? -2.702  -2.834  -30.647 1   34.315 ? 341 HOH   A O    1 ? ? 
HETATM 3971 O O    . HOH   E 3 .   ? -12.536 -6.695  -41.022 1   46.354 ? 342 HOH   A O    1 ? ? 
HETATM 3972 O O    . HOH   E 3 .   ? -16.324 -22.911 -19.05  1   40.881 ? 343 HOH   A O    1 ? ? 
HETATM 3973 O O    . HOH   E 3 .   ? 6.588   -9.168  -17.484 1   34.778 ? 344 HOH   A O    1 ? ? 
HETATM 3974 O O    . HOH   E 3 .   ? -4.099  -5.675  -42.086 1   37.918 ? 345 HOH   A O    1 ? ? 
HETATM 3975 O O    . HOH   E 3 .   ? 4.829   -19.034 -36.162 1   40.064 ? 346 HOH   A O    1 ? ? 
HETATM 3976 O O    . HOH   E 3 .   ? 4.885   -11.911 -26.427 1   35.648 ? 347 HOH   A O    1 ? ? 
HETATM 3977 O O    . HOH   E 3 .   ? 1.251   -5.603  -37.181 1   36.877 ? 348 HOH   A O    1 ? ? 
HETATM 3978 O O    . HOH   E 3 .   ? -7.916  -25.176 -19.605 1   39.355 ? 349 HOH   A O    1 ? ? 
HETATM 3979 O O    . HOH   E 3 .   ? 6.213   -10.443 -23.307 1   45.809 ? 350 HOH   A O    1 ? ? 
HETATM 3980 O O    . HOH   E 3 .   ? -0.951  -15.062 -12.818 1   32.699 ? 351 HOH   A O    1 ? ? 
HETATM 3981 O O    . HOH   E 3 .   ? -1.833  -14.14  -10.41  1   29.65  ? 352 HOH   A O    1 ? ? 
HETATM 3982 O O    . HOH   E 3 .   ? -1.912  -1.595  -22.478 1   44.098 ? 353 HOH   A O    1 ? ? 
HETATM 3983 O O    . HOH   E 3 .   ? -9.045  -26.563 -30.901 1   52.846 ? 354 HOH   A O    1 ? ? 
HETATM 3984 O O    . HOH   E 3 .   ? 1.066   -1.847  -32.362 0.5 35.429 ? 355 HOH   A O    1 ? ? 
HETATM 3985 O O    . HOH   E 3 .   ? 4.872   -20.88  -34.011 1   44.892 ? 356 HOH   A O    1 ? ? 
HETATM 3986 O O    . HOH   E 3 .   ? -11.971 -32.499 -37.767 1   40.029 ? 357 HOH   A O    1 ? ? 
HETATM 3987 O O    . HOH   E 3 .   ? -4.226  -0.532  -29.088 1   44.112 ? 358 HOH   A O    1 ? ? 
HETATM 3988 O O    . HOH   E 3 .   ? -13.101 -5.994  -22.651 1   34.908 ? 359 HOH   A O    1 ? ? 
HETATM 3989 O O    . HOH   E 3 .   ? -18.09  -30.897 -25.666 1   40.644 ? 360 HOH   A O    1 ? ? 
HETATM 3990 O O    . HOH   E 3 .   ? -15.556 -28.411 -43.249 1   37.825 ? 361 HOH   A O    1 ? ? 
HETATM 3991 O O    . HOH   E 3 .   ? -19.814 -7.993  -30.659 1   36.051 ? 362 HOH   A O    1 ? ? 
HETATM 3992 O O    . HOH   E 3 .   ? -17.795 -6.676  -27.552 1   40.799 ? 363 HOH   A O    1 ? ? 
HETATM 3993 O O    . HOH   E 3 .   ? 0.343   -9.211  -34.061 1   37.757 ? 364 HOH   A O    1 ? ? 
HETATM 3994 O O    . HOH   E 3 .   ? -7.244  -3.067  -42.95  1   44.896 ? 365 HOH   A O    1 ? ? 
HETATM 3995 O O    . HOH   E 3 .   ? -3.505  -1.104  -22.279 1   35.592 ? 366 HOH   A O    1 ? ? 
HETATM 3996 O O    . HOH   E 3 .   ? -17.276 -6.441  -31.917 1   41.698 ? 367 HOH   A O    1 ? ? 
HETATM 3997 O O    . HOH   E 3 .   ? -0.445  -15.738 -8.566  1   30.066 ? 368 HOH   A O    1 ? ? 
HETATM 3998 O O    . HOH   F 3 .   ? -20.767 -8.677  7.516   1   41.477 ? 301 HOH   B O    1 ? ? 
HETATM 3999 O O    . HOH   F 3 .   ? -26.139 12.157  0.462   1   38.987 ? 302 HOH   B O    1 ? ? 
HETATM 4000 O O    . HOH   F 3 .   ? -9.701  -6.764  10.071  1   30.439 ? 303 HOH   B O    1 ? ? 
HETATM 4001 O O    . HOH   F 3 .   ? -37.264 -4.519  -4.359  1   35.824 ? 304 HOH   B O    1 ? ? 
HETATM 4002 O O    . HOH   F 3 .   ? -31.275 -3.994  0.885   1   42.422 ? 305 HOH   B O    1 ? ? 
HETATM 4003 O O    . HOH   F 3 .   ? -13.951 -16.982 5.95    1   43.44  ? 306 HOH   B O    1 ? ? 
HETATM 4004 O O    . HOH   F 3 .   ? -25.169 4.818   7.481   1   34.013 ? 307 HOH   B O    1 ? ? 
HETATM 4005 O O    . HOH   F 3 .   ? -7.221  -7.779  -3.088  1   27.962 ? 308 HOH   B O    1 ? ? 
HETATM 4006 O O    . HOH   F 3 .   ? -25.21  1.006   6.466   1   32.461 ? 309 HOH   B O    1 ? ? 
HETATM 4007 O O    . HOH   F 3 .   ? -20.534 16.875  -9.114  1   42.013 ? 310 HOH   B O    1 ? ? 
HETATM 4008 O O    . HOH   F 3 .   ? -29.358 13.386  -0.895  1   43.948 ? 311 HOH   B O    1 ? ? 
HETATM 4009 O O    . HOH   F 3 .   ? -14.069 -12.585 6.51    1   31.33  ? 312 HOH   B O    1 ? ? 
HETATM 4010 O O    . HOH   F 3 .   ? -2.664  -7.007  -14.119 1   33.215 ? 313 HOH   B O    1 ? ? 
HETATM 4011 O O    . HOH   F 3 .   ? -14.286 -0.93   10.89   1   42.403 ? 314 HOH   B O    1 ? ? 
HETATM 4012 O O    . HOH   F 3 .   ? -5.343  -7.546  -6.912  1   34.196 ? 315 HOH   B O    1 ? ? 
HETATM 4013 O O    . HOH   F 3 .   ? -34.905 7.495   -0.727  1   45.601 ? 316 HOH   B O    1 ? ? 
HETATM 4014 O O    . HOH   F 3 .   ? -6.893  4.411   -10.746 1   42.823 ? 317 HOH   B O    1 ? ? 
HETATM 4015 O O    . HOH   F 3 .   ? -34.419 -1.675  3.007   1   33.881 ? 318 HOH   B O    1 ? ? 
HETATM 4016 O O    . HOH   F 3 .   ? -12.644 7.657   -20.356 1   43.634 ? 319 HOH   B O    1 ? ? 
HETATM 4017 O O    . HOH   F 3 .   ? -6.624  -7.682  -19.556 1   26.708 ? 320 HOH   B O    1 ? ? 
HETATM 4018 O O    . HOH   F 3 .   ? -31.978 5.362   3.853   1   35.962 ? 321 HOH   B O    1 ? ? 
HETATM 4019 O O    . HOH   F 3 .   ? -9.493  -7.178  -13.063 1   23.813 ? 322 HOH   B O    1 ? ? 
HETATM 4020 O O    . HOH   F 3 .   ? -25.463 -7.013  0.451   1   29.757 ? 323 HOH   B O    1 ? ? 
HETATM 4021 O O    . HOH   F 3 .   ? -16.116 -4.725  -18.792 1   32.684 ? 324 HOH   B O    1 ? ? 
HETATM 4022 O O    . HOH   F 3 .   ? -5.067  8.581   -4.48   1   37.789 ? 325 HOH   B O    1 ? ? 
HETATM 4023 O O    . HOH   F 3 .   ? -12.642 4.808   9.505   1   43.299 ? 326 HOH   B O    1 ? ? 
HETATM 4024 O O    . HOH   F 3 .   ? -23.905 -8.206  2.298   1   33.386 ? 327 HOH   B O    1 ? ? 
HETATM 4025 O O    . HOH   F 3 .   ? -7.076  -6.275  1.036   1   36.38  ? 328 HOH   B O    1 ? ? 
HETATM 4026 O O    . HOH   F 3 .   ? -17.78  10.449  -2.048  1   50.847 ? 329 HOH   B O    1 ? ? 
HETATM 4027 O O    . HOH   F 3 .   ? -18.406 -7.963  -11.202 1   26.866 ? 330 HOH   B O    1 ? ? 
HETATM 4028 O O    . HOH   F 3 .   ? -11.094 -6.041  -11.04  1   25.301 ? 331 HOH   B O    1 ? ? 
HETATM 4029 O O    . HOH   F 3 .   ? -19.935 -14.084 -1.618  1   27.542 ? 332 HOH   B O    1 ? ? 
HETATM 4030 O O    . HOH   F 3 .   ? -10.699 -6.242  7.715   1   31.326 ? 333 HOH   B O    1 ? ? 
HETATM 4031 O O    . HOH   F 3 .   ? -26.998 -3.458  -11.097 1   31.008 ? 334 HOH   B O    1 ? ? 
HETATM 4032 O O    . HOH   F 3 .   ? -4.42   -6.663  -17.923 1   29.348 ? 335 HOH   B O    1 ? ? 
HETATM 4033 O O    . HOH   F 3 .   ? -12.389 -13.191 -4.067  1   31.748 ? 336 HOH   B O    1 ? ? 
HETATM 4034 O O    . HOH   F 3 .   ? -12.353 -10.472 7.346   1   30.711 ? 337 HOH   B O    1 ? ? 
HETATM 4035 O O    . HOH   F 3 .   ? -11.398 -6.899  -0.678  1   25.025 ? 338 HOH   B O    1 ? ? 
HETATM 4036 O O    . HOH   F 3 .   ? -22.392 -1.455  6.959   1   31.778 ? 339 HOH   B O    1 ? ? 
HETATM 4037 O O    . HOH   F 3 .   ? -8.226  -12.366 -5.222  1   29.396 ? 340 HOH   B O    1 ? ? 
HETATM 4038 O O    . HOH   F 3 .   ? -12.937 -3.471  -21.881 1   31.308 ? 341 HOH   B O    1 ? ? 
HETATM 4039 O O    . HOH   F 3 .   ? -27.051 -2.085  6.567   1   42.195 ? 342 HOH   B O    1 ? ? 
HETATM 4040 O O    . HOH   F 3 .   ? -2.122  -10.974 -11.999 1   31.666 ? 343 HOH   B O    1 ? ? 
HETATM 4041 O O    . HOH   F 3 .   ? -19.523 -1.756  7.415   1   34.631 ? 344 HOH   B O    1 ? ? 
HETATM 4042 O O    . HOH   F 3 .   ? -4.902  -4.03   -8.097  1   39.321 ? 345 HOH   B O    1 ? ? 
HETATM 4043 O O    . HOH   F 3 .   ? -2.853  -7.85   -9.889  1   36.626 ? 346 HOH   B O    1 ? ? 
HETATM 4044 O O    . HOH   F 3 .   ? -21.457 15.039  1.112   1   37.934 ? 347 HOH   B O    1 ? ? 
HETATM 4045 O O    . HOH   F 3 .   ? -11.844 0.214   -19.911 1   38.872 ? 348 HOH   B O    1 ? ? 
HETATM 4046 O O    . HOH   F 3 .   ? -16.235 -8.781  8.894   1   29.625 ? 349 HOH   B O    1 ? ? 
HETATM 4047 O O    . HOH   F 3 .   ? -12.48  -12.497 -15.992 1   32.487 ? 350 HOH   B O    1 ? ? 
HETATM 4048 O O    . HOH   F 3 .   ? -10.56  3.597   4.58    1   34.502 ? 351 HOH   B O    1 ? ? 
HETATM 4049 O O    . HOH   F 3 .   ? -7.173  -8.183  2.355   1   33.93  ? 352 HOH   B O    1 ? ? 
HETATM 4050 O O    . HOH   F 3 .   ? -9.632  -6.628  -20.698 1   26.204 ? 353 HOH   B O    1 ? ? 
HETATM 4051 O O    . HOH   F 3 .   ? -31.329 2.957   -13.564 1   51.166 ? 354 HOH   B O    1 ? ? 
HETATM 4052 O O    . HOH   F 3 .   ? -3.428  2.409   1.161   1   40.898 ? 355 HOH   B O    1 ? ? 
HETATM 4053 O O    . HOH   F 3 .   ? -7.682  -10.61  2.212   1   31.978 ? 356 HOH   B O    1 ? ? 
HETATM 4054 O O    . HOH   F 3 .   ? -19.277 7.089   -17.905 1   48.852 ? 357 HOH   B O    1 ? ? 
HETATM 4055 O O    . HOH   F 3 .   ? -24.686 -11.355 2.663   1   41.688 ? 358 HOH   B O    1 ? ? 
HETATM 4056 O O    . HOH   F 3 .   ? -7.782  -7.448  8.653   1   32.381 ? 359 HOH   B O    1 ? ? 
HETATM 4057 O O    . HOH   F 3 .   ? -12.179 -14.213 -13.617 1   36.333 ? 360 HOH   B O    1 ? ? 
HETATM 4058 O O    . HOH   F 3 .   ? -17.31  9.32    -14.256 1   49.402 ? 361 HOH   B O    1 ? ? 
HETATM 4059 O O    . HOH   F 3 .   ? -21.436 10.181  -13.138 1   44.153 ? 362 HOH   B O    1 ? ? 
HETATM 4060 O O    . HOH   F 3 .   ? -17.934 0.123   9.333   1   40.729 ? 363 HOH   B O    1 ? ? 
HETATM 4061 O O    . HOH   F 3 .   ? -10.349 -15.635 0.058   1   42.089 ? 364 HOH   B O    1 ? ? 
HETATM 4062 O O    . HOH   F 3 .   ? -10.91  -14.584 -2.339  1   38.51  ? 365 HOH   B O    1 ? ? 
HETATM 4063 O O    . HOH   F 3 .   ? -4.514  -2.83   -10.497 1   37.612 ? 366 HOH   B O    1 ? ? 
HETATM 4064 O O    . HOH   F 3 .   ? -8.944  4.808   -20.176 1   50.108 ? 367 HOH   B O    1 ? ? 
HETATM 4065 O O    . HOH   F 3 .   ? -32.115 14.604  -1.317  1   46.296 ? 368 HOH   B O    1 ? ? 
HETATM 4066 O O    . HOH   F 3 .   ? -8.588  -14.396 -3.4    1   34.184 ? 369 HOH   B O    1 ? ? 
HETATM 4067 O O    . HOH   F 3 .   ? -8.653  5.577   -13.173 1   49.426 ? 370 HOH   B O    1 ? ? 
HETATM 4068 O O    . HOH   F 3 .   ? -20.565 -4.211  -15.305 1   41.777 ? 371 HOH   B O    1 ? ? 
HETATM 4069 O O    . HOH   F 3 .   ? -37.126 -0.58   2.633   1   37.886 ? 372 HOH   B O    1 ? ? 
HETATM 4070 O O    . HOH   F 3 .   ? -23.759 -7.425  4.726   1   43.83  ? 373 HOH   B O    1 ? ? 
HETATM 4071 O O    . HOH   F 3 .   ? -7.065  4.471   -17.809 1   46.45  ? 374 HOH   B O    1 ? ? 
HETATM 4072 O O    . HOH   F 3 .   ? -15.714 -19.427 -0.666  1   44.778 ? 375 HOH   B O    1 ? ? 
HETATM 4073 O O    . HOH   F 3 .   ? -23.523 5.277   -17.128 1   44.767 ? 376 HOH   B O    1 ? ? 
HETATM 4074 O O    . HOH   F 3 .   ? -18.162 -2.867  -17.649 1   41.133 ? 377 HOH   B O    1 ? ? 
HETATM 4075 O O    . HOH   F 3 .   ? -8.708  -6.878  -0.899  1   33.653 ? 378 HOH   B O    1 ? ? 
HETATM 4076 O O    . HOH   F 3 .   ? -36.746 3.611   2.332   1   41.732 ? 379 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    . GLY   A 1   ? 0.741482 0.858052 0.517245  0.370992    0.0169644   -0.0698149  13  GLY   A N    
2    C CA   . GLY   A 1   ? 0.722351 0.771392 0.535554  0.383622    -0.00353243 -0.0847294  13  GLY   A CA   
3    C C    . GLY   A 1   ? 0.716699 0.748973 0.498548  0.348511    0.00922871  -0.0783635  13  GLY   A C    
4    O O    . GLY   A 1   ? 0.687766 0.756711 0.469058  0.37842     0.0333068   -0.0808428  13  GLY   A O    
5    H H1   . GLY   A 1   ? 0.746019 0.888838 0.546979  0.390028    0.0236792   -0.0816705  13  GLY   A H1   
6    H H2   . GLY   A 1   ? 0.715369 0.845797 0.497325  0.353043    0.0293652   -0.0481412  13  GLY   A H2   
7    H H3   . GLY   A 1   ? 0.762694 0.888104 0.512775  0.384424    0.0234164   -0.0841372  13  GLY   A H3   
8    H HA2  . GLY   A 1   ? 0.752872 0.788747 0.563864  0.401304    -0.0141013  -0.111142   13  GLY   A HA2  
9    H HA3  . GLY   A 1   ? 0.701736 0.749586 0.540931  0.367898    -0.00645424 -0.0698136  13  GLY   A HA3  
10   N N    . ALA   A 2   ? 0.719258 0.699166 0.539429  0.330201    0.00312707  -0.0942841  14  ALA   A N    
11   C CA   . ALA   A 2   ? 0.705988 0.637463 0.509165  0.326256    -0.0102725  -0.0534911  14  ALA   A CA   
12   C C    . ALA   A 2   ? 0.663298 0.616687 0.432359  0.316826    0.0283051   -0.0245645  14  ALA   A C    
13   O O    . ALA   A 2   ? 0.743455 0.593243 0.394675  0.326984    0.0579191   -0.0134046  14  ALA   A O    
14   C CB   . ALA   A 2   ? 0.702883 0.59669  0.572925  0.30002     -0.0453043  -0.0434036  14  ALA   A CB   
15   H H    . ALA   A 2   ? 0.712288 0.68759  0.563639  0.340079    -0.0108918  -0.0943616  14  ALA   A H    
16   H HA   . ALA   A 2   ? 0.733698 0.668984 0.510794  0.336769    -0.0102511  -0.0745927  14  ALA   A HA   
17   H HB1  . ALA   A 2   ? 0.726347 0.604538 0.592657  0.326226    -0.0559115  -0.0667901  14  ALA   A HB1  
18   H HB2  . ALA   A 2   ? 0.679592 0.571731 0.565984  0.296978    -0.0392437  -0.0317605  14  ALA   A HB2  
19   H HB3  . ALA   A 2   ? 0.697118 0.562163 0.543884  0.291494    -0.0481121  -0.039498   14  ALA   A HB3  
20   N N    . PRO   A 3   ? 0.635632 0.600469 0.398895  0.292218    0.05293     0.0119143   15  PRO   A N    
21   C CA   . PRO   A 3   ? 0.610812 0.574515 0.384852  0.27303     0.0551283   0.0494722   15  PRO   A CA   
22   C C    . PRO   A 3   ? 0.619055 0.634489 0.399199  0.27491     0.0909981   0.0637194   15  PRO   A C    
23   O O    . PRO   A 3   ? 0.635386 0.607749 0.434681  0.269377    0.0952037   0.0672747   15  PRO   A O    
24   C CB   . PRO   A 3   ? 0.579927 0.557968 0.386502  0.247453    0.0527694   0.0531659   15  PRO   A CB   
25   C CG   . PRO   A 3   ? 0.593125 0.550836 0.394779  0.26678     0.0381182   0.0455464   15  PRO   A CG   
26   C CD   . PRO   A 3   ? 0.606139 0.572861 0.461473  0.320731    0.0368957   -0.00272873 15  PRO   A CD   
27   H HA   . PRO   A 3   ? 0.602206 0.537891 0.374676  0.257584    0.050605    0.051762    15  PRO   A HA   
28   H HB2  . PRO   A 3   ? 0.583862 0.602872 0.385417  0.252059    0.0698877   0.060759    15  PRO   A HB2  
29   H HB3  . PRO   A 3   ? 0.564183 0.531047 0.365684  0.22926     0.0566433   0.0710818   15  PRO   A HB3  
30   H HG2  . PRO   A 3   ? 0.577001 0.561561 0.421511  0.271218    0.0426057   0.0447913   15  PRO   A HG2  
31   H HG3  . PRO   A 3   ? 0.573744 0.503167 0.405826  0.260029    0.0274583   0.0446595   15  PRO   A HG3  
32   H HD2  . PRO   A 3   ? 0.622623 0.62877  0.459826  0.327596    0.0480869   -0.00427383 15  PRO   A HD2  
33   H HD3  . PRO   A 3   ? 0.62137  0.559036 0.464198  0.319718    0.0197294   -0.00564782 15  PRO   A HD3  
34   N N    . ALA   A 4   ? 0.656088 0.705454 0.387668  0.315494    0.110537    0.050512    16  ALA   A N    
35   C CA   . ALA   A 4   ? 0.664107 0.810701 0.437384  0.323652    0.150393    0.0966789   16  ALA   A CA   
36   C C    . ALA   A 4   ? 0.674546 0.840393 0.458013  0.362776    0.144894    0.137744    16  ALA   A C    
37   O O    . ALA   A 4   ? 0.676882 0.932234 0.403361  0.371442    0.18951     0.185682    16  ALA   A O    
38   C CB   . ALA   A 4   ? 0.664913 0.888329 0.473278  0.352423    0.145748    0.0901685   16  ALA   A CB   
39   H H    . ALA   A 4   ? 0.647223 0.714122 0.425245  0.325797    0.106407    0.0478404   16  ALA   A H    
40   H HA   . ALA   A 4   ? 0.64807  0.798312 0.418523  0.304896    0.151816    0.123224    16  ALA   A HA   
41   H HB1  . ALA   A 4   ? 0.646466 0.878534 0.477259  0.342153    0.152315    0.0958913   16  ALA   A HB1  
42   H HB2  . ALA   A 4   ? 0.686379 0.897614 0.488022  0.373989    0.140378    0.0627155   16  ALA   A HB2  
43   H HB3  . ALA   A 4   ? 0.686245 0.940478 0.467786  0.34943     0.165789    0.092516    16  ALA   A HB3  
44   N N    . THR   A 5   ? 0.72464  0.87624  0.443804  0.362211    0.0947376   0.0848795   17  THR   A N    
45   C CA   . THR   A 5   ? 0.752513 0.925694 0.445734  0.397666    0.0926164   0.02557     17  THR   A CA   
46   C C    . THR   A 5   ? 0.8096   0.858712 0.342933  0.320145    0.103563    0.0067545   17  THR   A C    
47   O O    . THR   A 5   ? 0.78519  0.894379 0.335291  0.390548    0.169014    -0.0411586  17  THR   A O    
48   C CB   . THR   A 5   ? 0.859761 0.983341 0.552564  0.392095    0.0686276   -0.021085   17  THR   A CB   
49   O OG1  . THR   A 5   ? 0.87508  1.01238  0.588107  0.420673    0.0922779   -0.0836831  17  THR   A OG1  
50   C CG2  . THR   A 5   ? 0.848866 0.983156 0.584661  0.447321    0.0593954   -0.118046   17  THR   A CG2  
51   H H    . THR   A 5   ? 0.709123 0.857632 0.483986  0.379323    0.0928506   0.0843145   17  THR   A H    
52   H HA   . THR   A 5   ? 0.808776 0.989807 0.440935  0.386599    0.10525     0.0269187   17  THR   A HA   
53   H HB   . THR   A 5   ? 0.80735  0.904797 0.563368  0.401013    0.0563247   -0.024468   17  THR   A HB   
54   H HG1  . THR   A 5   ? 0.253303 0.253303 0.253303  0           0           0           17  THR   A HG1  
55   H HG21 . THR   A 5   ? 0.876589 0.984604 0.601554  0.455163    0.0400554   -0.125085   17  THR   A HG21 
56   H HG22 . THR   A 5   ? 0.883286 1.04616  0.576938  0.444727    0.0657544   -0.0987719  17  THR   A HG22 
57   H HG23 . THR   A 5   ? 0.824061 0.947123 0.567517  0.440841    0.0715661   -0.0893853  17  THR   A HG23 
58   N N    . VAL   A 6   ? 0.719521 0.743374 0.308778  0.32276     0.0922943   0.0212264   18  VAL   A N    
59   C CA   . VAL   A 6   ? 0.682775 0.72273  0.263588  0.276125    0.11352     0.0347016   18  VAL   A CA   
60   C C    . VAL   A 6   ? 0.677424 0.738021 0.228996  0.253488    0.133448    0.0545034   18  VAL   A C    
61   O O    . VAL   A 6   ? 0.659014 0.725944 0.239171  0.238256    0.130187    0.0837294   18  VAL   A O    
62   C CB   . VAL   A 6   ? 0.624185 0.641431 0.224509  0.274761    0.0791879   0.0218064   18  VAL   A CB   
63   C CG1  . VAL   A 6   ? 0.563547 0.63975  0.228672  0.255522    0.0757701   0.0338341   18  VAL   A CG1  
64   C CG2  . VAL   A 6   ? 0.651329 0.606972 0.23133   0.292841    0.0597829   0.0174821   18  VAL   A CG2  
65   H H    . VAL   A 6   ? 0.708983 0.741557 0.316836  0.318115    0.0943804   0.0250354   18  VAL   A H    
66   H HA   . VAL   A 6   ? 0.704584 0.718658 0.262752  0.292481    0.092497    0.0238105   18  VAL   A HA   
67   H HB   . VAL   A 6   ? 0.603072 0.647865 0.23189   0.266324    0.0925402   0.0346291   18  VAL   A HB   
68   H HG11 . VAL   A 6   ? 0.595788 0.638735 0.224274  0.261635    0.0662433   0.0326236   18  VAL   A HG11 
69   H HG12 . VAL   A 6   ? 0.572884 0.641122 0.217189  0.243371    0.0898474   0.053131    18  VAL   A HG12 
70   H HG13 . VAL   A 6   ? 0.556613 0.587372 0.227123  0.24753     0.068265    0.0358796   18  VAL   A HG13 
71   H HG21 . VAL   A 6   ? 0.622041 0.567822 0.234607  0.280941    0.0535029   0.0166993   18  VAL   A HG21 
72   H HG22 . VAL   A 6   ? 0.656323 0.636294 0.250408  0.307239    0.0598201   -0.00201338 18  VAL   A HG22 
73   H HG23 . VAL   A 6   ? 0.664479 0.613229 0.239085  0.299103    0.0478162   0.00283302  18  VAL   A HG23 
74   N N    . THR   A 7   ? 0.710944 0.748773 0.240413  0.217372    0.118868    0.0700849   19  THR   A N    
75   C CA   . THR   A 7   ? 0.725838 0.757344 0.276283  0.210352    0.15436     0.0935777   19  THR   A CA   
76   C C    . THR   A 7   ? 0.747206 0.795173 0.289895  0.26225     0.159439    0.11061     19  THR   A C    
77   O O    . THR   A 7   ? 0.704241 0.806405 0.372344  0.237745    0.192697    0.176145    19  THR   A O    
78   C CB   . THR   A 7   ? 0.719947 0.778449 0.303865  0.176845    0.187278    0.0880014   19  THR   A CB   
79   O OG1  . THR   A 7   ? 0.685638 0.705768 0.319743  0.116045    0.201335    0.093794    19  THR   A OG1  
80   C CG2  . THR   A 7   ? 0.755378 0.831512 0.280122  0.158864    0.212443    0.114642    19  THR   A CG2  
81   H H    . THR   A 7   ? 0.689055 0.740978 0.256512  0.233751    0.130502    0.0587733   19  THR   A H    
82   H HA   . THR   A 7   ? 0.709016 0.719142 0.271835  0.192662    0.151898    0.111671    19  THR   A HA   
83   H HB   . THR   A 7   ? 0.732705 0.808144 0.309017  0.196023    0.190724    0.0728743   19  THR   A HB   
84   H HG1  . THR   A 7   ? 0.253303 0.253303 0.253303  0           0           0           19  THR   A HG1  
85   H HG21 . THR   A 7   ? 0.739106 0.850705 0.296702  0.152919    0.223267    0.120041    19  THR   A HG21 
86   H HG22 . THR   A 7   ? 0.748928 0.807622 0.284152  0.142009    0.209479    0.13249     19  THR   A HG22 
87   H HG23 . THR   A 7   ? 0.779298 0.885035 0.284979  0.1732      0.217416    0.110521    19  THR   A HG23 
88   N N    . GLU   A 8   ? 0.753861 0.878485 0.3017    0.307787    0.172286    0.0489094   20  GLU   A N    
89   C CA   . GLU   A 8   ? 0.837809 0.970729 0.293002  0.299976    0.150324    0.0717628   20  GLU   A CA   
90   C C    . GLU   A 8   ? 0.839166 0.977676 0.31181   0.317212    0.123897    0.0794571   20  GLU   A C    
91   O O    . GLU   A 8   ? 0.876722 1.03651  0.256185  0.319331    0.045491    0.0713773   20  GLU   A O    
92   C CB   . GLU   A 8   ? 0.882281 1.0178   0.376869  0.3246      0.174       0.0334335   20  GLU   A CB   
93   C CG   . GLU   A 8   ? 0.882711 1.04776  0.436307  0.310249    0.180805    0.0360372   20  GLU   A CG   
94   C CD   . GLU   A 8   ? 0.971586 1.07345  0.510721  0.329985    0.166051    -0.00239887 20  GLU   A CD   
95   O OE1  . GLU   A 8   ? 1.07803  1.13541  0.587372  0.344318    0.190504    -0.0695324  20  GLU   A OE1  
96   O OE2  . GLU   A 8   ? 0.99758  1.03423  0.577045  0.315141    0.162409    0.00680173  20  GLU   A OE2  
97   H H    . GLU   A 8   ? 0.756968 0.867548 0.309001  0.308821    0.157047    0.0394182   20  GLU   A H    
98   H HA   . GLU   A 8   ? 0.835499 1.00402  0.310111  0.291584    0.175778    0.092043    20  GLU   A HA   
99   H HB2  . GLU   A 8   ? 0.873118 0.982851 0.374855  0.335457    0.149055    0.0113869   20  GLU   A HB2  
100  H HB3  . GLU   A 8   ? 0.916735 1.08023  0.374033  0.333652    0.169034    0.0296042   20  GLU   A HB3  
101  H HG2  . GLU   A 8   ? 0.90558  1.09319  0.433677  0.300303    0.199314    0.056631    20  GLU   A HG2  
102  H HG3  . GLU   A 8   ? 0.857238 0.99176  0.434442  0.297096    0.17935     0.0478011   20  GLU   A HG3  
103  N N    . GLN   A 9   ? 0.805142 0.950691 0.319503  0.338083    0.0982084   5.196e-05   21  GLN   A N    
104  C CA   . GLN   A 9   ? 0.831293 0.974393 0.339059  0.359282    0.065204    0.0014614   21  GLN   A CA   
105  C C    . GLN   A 9   ? 0.799766 0.90143  0.276964  0.363374    0.0370748   -0.00487046 21  GLN   A C    
106  O O    . GLN   A 9   ? 0.815523 0.899714 0.282576  0.378479    0.0328764   -0.0124261  21  GLN   A O    
107  C CB   . GLN   A 9   ? 0.874316 0.991704 0.367605  0.37524     0.0267783   -0.0315038  21  GLN   A CB   
108  C CG   . GLN   A 9   ? 0.922624 1.06361  0.456498  0.405606    0.0332563   -0.05106    21  GLN   A CG   
109  C CD   . GLN   A 9   ? 1.01024  1.16575  0.528806  0.375723    0.059014    -0.0200698  21  GLN   A CD   
110  O OE1  . GLN   A 9   ? 1.08656  1.18746  0.614011  0.351747    -0.0005968  -0.0463989  21  GLN   A OE1  
111  N NE2  . GLN   A 9   ? 1.01524  1.23124  0.637758  0.357268    0.0648687   0.0289917   21  GLN   A NE2  
112  H H    . GLN   A 9   ? 0.782844 0.909744 0.333057  0.338229    0.094161    0.00259344  21  GLN   A H    
113  H HA   . GLN   A 9   ? 0.865511 1.02319  0.325702  0.357254    0.0671609   0.00999831  21  GLN   A HA   
114  H HB2  . GLN   A 9   ? 0.847097 0.932148 0.381555  0.376878    0.0190153   -0.0403383  21  GLN   A HB2  
115  H HB3  . GLN   A 9   ? 0.89804  1.00554  0.379012  0.384257    0.0129559   -0.0383165  21  GLN   A HB3  
116  H HG2  . GLN   A 9   ? 0.897148 1.0491   0.454432  0.393257    0.0478918   -0.0449933  21  GLN   A HG2  
117  H HG3  . GLN   A 9   ? 0.943161 1.07292  0.466133  0.41612     0.0223977   -0.0793554  21  GLN   A HG3  
118  H HE21 . GLN   A 9   ? 1.02403  1.26681  0.593752  0.353478    0.088198    0.0360022   21  GLN   A HE21 
119  H HE22 . GLN   A 9   ? 1.0037   1.22632  0.607943  0.37501     0.0774406   -0.00647922 21  GLN   A HE22 
120  N N    . GLY   A 10  ? 0.716987 0.798515 0.252908  0.348294    0.0625274   0.0099776   22  GLY   A N    
121  C CA   . GLY   A 10  ? 0.714057 0.731389 0.220818  0.338177    0.0462655   0.0135345   22  GLY   A CA   
122  C C    . GLY   A 10  ? 0.716911 0.69922  0.24144   0.304908    0.0525015   0.0338924   22  GLY   A C    
123  O O    . GLY   A 10  ? 0.700551 0.738496 0.326815  0.308239    0.0648833   0.110859    22  GLY   A O    
124  H H    . GLY   A 10  ? 0.715151 0.819101 0.250555  0.345925    0.0710969   0.0108766   22  GLY   A H    
125  H HA2  . GLY   A 10  ? 0.711677 0.706455 0.239907  0.344317    0.0309046   -0.00477665 22  GLY   A HA2  
126  H HA3  . GLY   A 10  ? 0.676109 0.690348 0.227537  0.322273    0.0543851   0.0172817   22  GLY   A HA3  
127  N N    . GLU   A 11  ? 0.724029 0.651548 0.249397  0.311265    0.0275023   0.01163     23  GLU   A N    
128  C CA   . GLU   A 11  ? 0.743889 0.63477  0.205186  0.296371    0.0220477   0.0305515   23  GLU   A CA   
129  C C    . GLU   A 11  ? 0.683255 0.588143 0.180325  0.260405    0.00019569  0.0569609   23  GLU   A C    
130  O O    . GLU   A 11  ? 0.618661 0.550475 0.162141  0.271012    0.0297615   0.0551118   23  GLU   A O    
131  C CB   . GLU   A 11  ? 0.779221 0.626808 0.269151  0.302584    -0.0298043  0.00396841  23  GLU   A CB   
132  C CG   . GLU   A 11  ? 0.823147 0.624879 0.400176  0.301253    -0.0689653  0.0572633   23  GLU   A CG   
133  C CD   . GLU   A 11  ? 0.893371 0.681158 0.574712  0.27746     -0.0926712  0.0278782   23  GLU   A CD   
134  O OE1  . GLU   A 11  ? 1.00541  0.706201 0.666259  0.219211    -0.107362   0.0148703   23  GLU   A OE1  
135  O OE2  . GLU   A 11  ? 0.961283 0.761077 0.766371  0.321597    -0.144953   0.140015    23  GLU   A OE2  
136  H H    . GLU   A 11  ? 0.716543 0.631481 0.241558  0.317046    0.0159359   -0.00389123 23  GLU   A H    
137  H HA   . GLU   A 11  ? 0.765985 0.68161  0.213079  0.291417    0.0201278   0.0506288   23  GLU   A HA   
138  H HB2  . GLU   A 11  ? 0.810121 0.671618 0.268212  0.317711    -0.0358195  0.00203678  23  GLU   A HB2  
139  H HB3  . GLU   A 11  ? 0.757713 0.597167 0.276759  0.308027    -0.0349771  -0.00562101 23  GLU   A HB3  
140  H HG2  . GLU   A 11  ? 0.787925 0.58325  0.400518  0.281367    -0.0559702  0.0515648   23  GLU   A HG2  
141  H HG3  . GLU   A 11  ? 0.83879  0.654919 0.392113  0.28843     -0.0548433  0.0665835   23  GLU   A HG3  
142  N N    . ASP   A 12  ? 0.666344 0.584205 0.190522  0.239093    0.0189643   0.0832883   24  ASP   A N    
143  C CA   . ASP   A 12  ? 0.598551 0.542473 0.180803  0.216421    0.0202607   0.092426    24  ASP   A CA   
144  C C    . ASP   A 12  ? 0.590568 0.502074 0.202688  0.201691    0.0020858   0.0897787   24  ASP   A C    
145  O O    . ASP   A 12  ? 0.6357   0.499652 0.239784  0.218227    0.00816528  0.11424     24  ASP   A O    
146  C CB   . ASP   A 12  ? 0.585097 0.597451 0.229541  0.18864     0.0555675   0.132913    24  ASP   A CB   
147  C CG   . ASP   A 12  ? 0.552135 0.554184 0.250983  0.169496    0.0638832   0.145687    24  ASP   A CG   
148  O OD1  . ASP   A 12  ? 0.534626 0.532848 0.287424  0.154001    0.0654521   0.16417     24  ASP   A OD1  
149  O OD2  . ASP   A 12  ? 0.534408 0.625862 0.282692  0.141892    0.110002    0.207485    24  ASP   A OD2  
150  H H    . ASP   A 12  ? 0.689416 0.630844 0.188435  0.241982    0.0176495   0.0954672   24  ASP   A H    
151  H HA   . ASP   A 12  ? 0.573273 0.525344 0.179225  0.20971     0.0299176   0.0883705   24  ASP   A HA   
152  H HB2  . ASP   A 12  ? 0.591681 0.622843 0.212252  0.191686    0.0639834   0.132661    24  ASP   A HB2  
153  H HB3  . ASP   A 12  ? 0.619363 0.614291 0.237017  0.19411     0.0450396   0.143543    24  ASP   A HB3  
154  N N    . ILE   A 13  ? 0.566469 0.452049 0.220634  0.195107    0.00760674  0.0952607   25  ILE   A N    
155  C CA   . ILE   A 13  ? 0.553239 0.427893 0.262042  0.207492    -0.00312681 0.0734056   25  ILE   A CA   
156  C C    . ILE   A 13  ? 0.546432 0.408496 0.281768  0.184061    0.0329619   0.0821364   25  ILE   A C    
157  O O    . ILE   A 13  ? 0.5725   0.398963 0.380662  0.146143    0.0669982   0.0833691   25  ILE   A O    
158  C CB   . ILE   A 13  ? 0.54458  0.413801 0.277857  0.204161    0.00532084  0.0329338   25  ILE   A CB   
159  C CG1  . ILE   A 13  ? 0.55764  0.396786 0.249209  0.176051    0.00514713  0.0122203   25  ILE   A CG1  
160  C CG2  . ILE   A 13  ? 0.602697 0.459253 0.294005  0.193949    -0.0110537  0.031553    25  ILE   A CG2  
161  C CD1  . ILE   A 13  ? 0.541388 0.412052 0.24676   0.172714    -0.00055339 0.00193416  25  ILE   A CD1  
162  H H    . ILE   A 13  ? 0.544446 0.447033 0.208029  0.195084    0.0150695   0.078142    25  ILE   A H    
163  H HA   . ILE   A 13  ? 0.579971 0.446777 0.26945   0.209503    -0.00913539 0.0832964   25  ILE   A HA   
164  H HB   . ILE   A 13  ? 0.542753 0.397089 0.291574  0.199748    -0.00861263 0.0336717   25  ILE   A HB   
165  H HG12 . ILE   A 13  ? 0.556683 0.422474 0.236924  0.179384    0.0153518   0.0165044   25  ILE   A HG12 
166  H HG13 . ILE   A 13  ? 0.537819 0.38462  0.25384   0.167409    0.0192437   0.0201775   25  ILE   A HG13 
167  H HG21 . ILE   A 13  ? 0.584594 0.441548 0.290562  0.205615    -0.0204684  0.0136341   25  ILE   A HG21 
168  H HG22 . ILE   A 13  ? 0.605119 0.478693 0.273296  0.202642    -0.00259335 0.0288183   25  ILE   A HG22 
169  H HG23 . ILE   A 13  ? 0.618107 0.476272 0.299665  0.206442    -0.0193802  0.0348617   25  ILE   A HG23 
170  H HD11 . ILE   A 13  ? 0.537981 0.385446 0.265736  0.17287     -0.00942198 0.00058387  25  ILE   A HD11 
171  H HD12 . ILE   A 13  ? 0.522196 0.38743  0.24258   0.167313    0.00652965  -0.00249229 25  ILE   A HD12 
172  H HD13 . ILE   A 13  ? 0.552416 0.417201 0.25048   0.185622    -0.0128827  -0.00623087 25  ILE   A HD13 
173  N N    . THR   A 14  ? 0.497785 0.439524 0.298655  0.181204    0.0637479   0.120437    26  THR   A N    
174  C CA   . THR   A 14  ? 0.538945 0.400391 0.361574  0.141887    0.0628044   0.131184    26  THR   A CA   
175  C C    . THR   A 14  ? 0.556171 0.384276 0.470086  0.150734    0.0304734   0.123279    26  THR   A C    
176  O O    . THR   A 14  ? 0.619805 0.404679 0.486778  0.140895    0.00705541  0.125899    26  THR   A O    
177  C CB   . THR   A 14  ? 0.520842 0.396798 0.35123   0.126063    0.111951    0.164488    26  THR   A CB   
178  O OG1  . THR   A 14  ? 0.593297 0.395221 0.318137  0.139005    0.130847    0.15029     26  THR   A OG1  
179  C CG2  . THR   A 14  ? 0.508555 0.405484 0.328195  0.117302    0.134103    0.168829    26  THR   A CG2  
180  H H    . THR   A 14  ? 0.511922 0.452788 0.285491  0.174317    0.0723619   0.120867    26  THR   A H    
181  H HA   . THR   A 14  ? 0.506288 0.373119 0.37043   0.148865    0.0647037   0.115291    26  THR   A HA   
182  H HB   . THR   A 14  ? 0.534478 0.377655 0.369472  0.117878    0.115532    0.156692    26  THR   A HB   
183  H HG1  . THR   A 14  ? 0.253303 0.253303 0.253303  0           0           0           26  THR   A HG1  
184  H HG21 . THR   A 14  ? 0.503223 0.409434 0.325003  0.108168    0.14089     0.167921    26  THR   A HG21 
185  H HG22 . THR   A 14  ? 0.507126 0.422941 0.310915  0.129413    0.124658    0.163586    26  THR   A HG22 
186  H HG23 . THR   A 14  ? 0.483416 0.378318 0.321719  0.119336    0.128767    0.150902    26  THR   A HG23 
187  N N    . SER   A 15  ? 0.572249 0.368568 0.532158  0.129614    0.0195551   0.0820738   27  SER   A N    
188  C CA   . SER   A 15  ? 0.598593 0.370976 0.592773  0.128661    0.0153221   0.115611    27  SER   A CA   
189  C C    . SER   A 15  ? 0.635288 0.357236 0.560742  0.12655     0.018365    0.160014    27  SER   A C    
190  O O    . SER   A 15  ? 0.697084 0.407696 0.540258  0.1473      0.0204796   0.178255    27  SER   A O    
191  C CB   . SER   A 15  ? 0.595128 0.381174 0.702527  0.157465    0.0387218   0.0980824   27  SER   A CB   
192  O OG   . SER   A 15  ? 0.570655 0.466089 0.775434  0.195906    0.055394    0.0664996   27  SER   A OG   
193  H H    . SER   A 15  ? 0.544277 0.345151 0.529211  0.130237    0.0287215   0.0785567   27  SER   A H    
194  H HA   . SER   A 15  ? 0.615544 0.384615 0.589505  0.147928    0.00302634  0.123396    27  SER   A HA   
195  H HB2  . SER   A 15  ? 0.584906 0.3718   0.698016  0.145254    0.0508608   0.0886031   27  SER   A HB2  
196  H HB3  . SER   A 15  ? 0.618647 0.387505 0.731433  0.160794    0.0285656   0.108963    27  SER   A HB3  
197  H HG   . SER   A 15  ? 0.253303 0.253303 0.253303  0           0           0           27  SER   A HG   
198  N N    . LYS   A 16  ? 0.634337 0.347185 0.53935   0.082928    0.0231146   0.149125    28  LYS   A N    
199  C CA   . LYS   A 16  ? 0.679388 0.3918   0.555037  0.049625    0.0194899   0.185311    28  LYS   A CA   
200  C C    . LYS   A 16  ? 0.666376 0.438019 0.496813  0.0467936   0.0101002   0.232722    28  LYS   A C    
201  O O    . LYS   A 16  ? 0.71101  0.487357 0.537976  0.0149411   0.0407531   0.283864    28  LYS   A O    
202  C CB   . LYS   A 16  ? 0.686384 0.379884 0.587551  0.0103538   0.016619    0.165736    28  LYS   A CB   
203  C CG   . LYS   A 16  ? 0.727961 0.381693 0.641366  0.011528    0.0331111   0.146545    28  LYS   A CG   
204  C CD   . LYS   A 16  ? 0.787002 0.442564 0.697358  -0.023457   0.0227736   0.122752    28  LYS   A CD   
205  C CE   . LYS   A 16  ? 0.834506 0.448586 0.785492  -0.0223101  0.0376168   0.107942    28  LYS   A CE   
206  N NZ   . LYS   A 16  ? 0.857343 0.503794 0.79528   -0.0264449  0.0386782   0.0594674   28  LYS   A NZ   
207  H H    . LYS   A 16  ? 0.608343 0.338772 0.519805  0.0844286   0.0295873   0.13439     28  LYS   A H    
208  H HA   . LYS   A 16  ? 0.701603 0.388476 0.596681  0.0485605   0.00959641  0.198392    28  LYS   A HA   
209  H HB2  . LYS   A 16  ? 0.660481 0.382587 0.54524   0.0177094   0.0304208   0.153958    28  LYS   A HB2  
210  H HB3  . LYS   A 16  ? 0.703972 0.40285  0.594838  0.00131933  0.0308307   0.18344     28  LYS   A HB3  
211  H HG2  . LYS   A 16  ? 0.752037 0.381083 0.683743  0.0125391   0.0157697   0.154012    28  LYS   A HG2  
212  H HG3  . LYS   A 16  ? 0.70244  0.366373 0.626774  0.0172133   0.0235846   0.126103    28  LYS   A HG3  
213  H HD2  . LYS   A 16  ? 0.752754 0.434221 0.658838  -0.0229972  0.0399207   0.110945    28  LYS   A HD2  
214  H HD3  . LYS   A 16  ? 0.801083 0.451331 0.705217  -0.0279814  0.0318815   0.143764    28  LYS   A HD3  
215  H HE2  . LYS   A 16  ? 0.850505 0.46114  0.801628  -0.0404919  0.0385931   0.104992    28  LYS   A HE2  
216  H HE3  . LYS   A 16  ? 0.855211 0.449475 0.814024  -0.0158475  0.0237634   0.111824    28  LYS   A HE3  
217  H HZ1  . LYS   A 16  ? 0.825397 0.487402 0.757234  -0.0360062  0.0516267   0.0558702   28  LYS   A HZ1  
218  H HZ2  . LYS   A 16  ? 0.831986 0.477451 0.772645  -0.00707293 0.0377687   0.0652857   28  LYS   A HZ2  
219  H HZ3  . LYS   A 16  ? 0.851095 0.475499 0.81969   -0.0275202  0.0407482   0.0540606   28  LYS   A HZ3  
220  N N    . LYS   A 17  ? 0.63019  0.44531  0.389661  0.093386    0.0108902   0.242658    29  LYS   A N    
221  C CA   . LYS   A 17  ? 0.629232 0.524569 0.414023  0.0968435   0.0169893   0.210085    29  LYS   A CA   
222  C C    . LYS   A 17  ? 0.622001 0.528971 0.383338  0.0715454   0.0387643   0.233099    29  LYS   A C    
223  O O    . LYS   A 17  ? 0.642346 0.593769 0.393316  0.0731309   0.0623762   0.246436    29  LYS   A O    
224  C CB   . LYS   A 17  ? 0.683408 0.610928 0.462445  0.103328    -0.0172824  0.225806    29  LYS   A CB   
225  C CG   . LYS   A 17  ? 0.682908 0.653251 0.55326   0.104314    -0.0212431  0.170913    29  LYS   A CG   
226  C CD   . LYS   A 17  ? 0.671172 0.678319 0.577786  0.135403    -0.0363574  0.133915    29  LYS   A CD   
227  C CE   . LYS   A 17  ? 0.710105 0.77462  0.679462  0.129184    -0.0482276  0.0664092   29  LYS   A CE   
228  N NZ   . LYS   A 17  ? 0.674444 0.763775 0.783449  0.163205    -0.0705704  0.0278883   29  LYS   A NZ   
229  H H    . LYS   A 17  ? 0.609874 0.429361 0.405602  0.0943674   0.00670567  0.210308    29  LYS   A H    
230  H HA   . LYS   A 17  ? 0.616791 0.522981 0.376418  0.108279    0.0111712   0.203838    29  LYS   A HA   
231  H HB2  . LYS   A 17  ? 0.70069  0.604854 0.508554  0.0879238   -0.00854241 0.238895    29  LYS   A HB2  
232  H HB3  . LYS   A 17  ? 0.697053 0.650175 0.460704  0.0973814   -0.00223684 0.232674    29  LYS   A HB3  
233  H HG2  . LYS   A 17  ? 0.671334 0.605132 0.559155  0.114401    -0.0326253  0.169277    29  LYS   A HG2  
234  H HG3  . LYS   A 17  ? 0.721252 0.675968 0.568931  0.113926    -0.0347349  0.198541    29  LYS   A HG3  
235  H HD2  . LYS   A 17  ? 0.668511 0.710029 0.558769  0.123392    -0.0182679  0.124309    29  LYS   A HD2  
236  H HD3  . LYS   A 17  ? 0.639617 0.647643 0.570318  0.128309    -0.0304035  0.10238     29  LYS   A HD3  
237  H HE2  . LYS   A 17  ? 0.737334 0.797619 0.694001  0.137461    -0.0556338  0.100945    29  LYS   A HE2  
238  H HE3  . LYS   A 17  ? 0.705275 0.792988 0.647065  0.145733    -0.0495896  0.0706803   29  LYS   A HE3  
239  H HZ1  . LYS   A 17  ? 0.682264 0.733334 0.780816  0.15092     -0.0706811  0.0419651   29  LYS   A HZ1  
240  H HZ2  . LYS   A 17  ? 0.652873 0.733843 0.740394  0.157222    -0.0649126  0.009533    29  LYS   A HZ2  
241  H HZ3  . LYS   A 17  ? 0.703049 0.77873  0.760686  0.167594    -0.0794291  0.0371675   29  LYS   A HZ3  
242  N N    . ASP   A 18  ? 0.559101 0.514908 0.341503  0.0535977   0.0429968   0.20779     30  ASP   A N    
243  C CA   . ASP   A 18  ? 0.539062 0.553795 0.378475  0.0328932   0.064124    0.213011    30  ASP   A CA   
244  C C    . ASP   A 18  ? 0.499253 0.568827 0.31639   0.0451      0.0871344   0.194672    30  ASP   A C    
245  O O    . ASP   A 18  ? 0.530828 0.569214 0.290509  0.064445    0.0698444   0.24708     30  ASP   A O    
246  C CB   . ASP   A 18  ? 0.5219   0.503286 0.362951  0.00247385  0.0661245   0.21503     30  ASP   A CB   
247  C CG   . ASP   A 18  ? 0.47855  0.46401  0.378156  0.0156178   0.0677814   0.185816    30  ASP   A CG   
248  O OD1  . ASP   A 18  ? 0.491765 0.412838 0.35004   0.0563536   0.090802    0.1632      30  ASP   A OD1  
249  O OD2  . ASP   A 18  ? 0.524557 0.455293 0.348145  -0.00736195 0.0479346   0.190623    30  ASP   A OD2  
250  H H    . ASP   A 18  ? 0.542048 0.486602 0.346614  0.0634011   0.0407877   0.192342    30  ASP   A H    
251  H HA   . ASP   A 18  ? 0.565786 0.580627 0.378209  0.0243175   0.0690028   0.233664    30  ASP   A HA   
252  H HB2  . ASP   A 18  ? 0.515076 0.51821  0.37967   -0.00817552 0.0764215   0.214105    30  ASP   A HB2  
253  H HB3  . ASP   A 18  ? 0.542279 0.498787 0.411156  0.00120035  0.0628164   0.22265     30  ASP   A HB3  
254  N N    . ARG   A 19  ? 0.492383 0.567782 0.298786  0.0943367   0.0903597   0.182044    31  ARG   A N    
255  C CA   . ARG   A 19  ? 0.471978 0.586668 0.235316  0.127225    0.0775935   0.169702    31  ARG   A CA   
256  C C    . ARG   A 19  ? 0.450387 0.564972 0.221963  0.132063    0.0909716   0.149056    31  ARG   A C    
257  O O    . ARG   A 19  ? 0.438175 0.596788 0.195818  0.145667    0.116626    0.118085    31  ARG   A O    
258  C CB   . ARG   A 19  ? 0.488561 0.625122 0.246579  0.123922    0.106269    0.203881    31  ARG   A CB   
259  C CG   . ARG   A 19  ? 0.527736 0.685578 0.264991  0.132935    0.109074    0.222176    31  ARG   A CG   
260  C CD   . ARG   A 19  ? 0.545315 0.74679  0.2655    0.115447    0.146982    0.260249    31  ARG   A CD   
261  N NE   . ARG   A 19  ? 0.5238   0.769104 0.274303  0.133402    0.151782    0.233603    31  ARG   A NE   
262  C CZ   . ARG   A 19  ? 0.543647 0.807484 0.295833  0.160774    0.129908    0.218165    31  ARG   A CZ   
263  N NH1  . ARG   A 19  ? 0.541481 0.833899 0.312631  0.180053    0.125857    0.216013    31  ARG   A NH1  
264  N NH2  . ARG   A 19  ? 0.538106 0.812511 0.289773  0.176174    0.129218    0.195125    31  ARG   A NH2  
265  H H    . ARG   A 19  ? 0.51153  0.565805 0.299849  0.0988169   0.0756801   0.187604    31  ARG   A H    
266  H HA   . ARG   A 19  ? 0.479721 0.583687 0.236606  0.139836    0.0738826   0.164164    31  ARG   A HA   
267  H HB2  . ARG   A 19  ? 0.487876 0.637823 0.259829  0.107522    0.113746    0.21054     31  ARG   A HB2  
268  H HB3  . ARG   A 19  ? 0.47467  0.638027 0.231536  0.136834    0.106711    0.184653    31  ARG   A HB3  
269  H HG2  . ARG   A 19  ? 0.531245 0.678162 0.252518  0.146412    0.101442    0.215236    31  ARG   A HG2  
270  H HG3  . ARG   A 19  ? 0.544338 0.674302 0.283388  0.118754    0.108897    0.245231    31  ARG   A HG3  
271  H HD2  . ARG   A 19  ? 0.575646 0.787615 0.272996  0.124942    0.139539    0.267633    31  ARG   A HD2  
272  H HD3  . ARG   A 19  ? 0.545522 0.754849 0.28802   0.100454    0.151153    0.269587    31  ARG   A HD3  
273  H HE   . ARG   A 19  ? 0.510877 0.767805 0.279212  0.125919    0.15592     0.233826    31  ARG   A HE   
274  H HH11 . ARG   A 19  ? 0.559364 0.810321 0.313405  0.173593    0.115166    0.228704    31  ARG   A HH11 
275  H HH12 . ARG   A 19  ? 0.563173 0.854971 0.299996  0.196209    0.119176    0.202123    31  ARG   A HH12 
276  H HH21 . ARG   A 19  ? 0.520892 0.819352 0.293736  0.166911    0.140887    0.197989    31  ARG   A HH21 
277  H HH22 . ARG   A 19  ? 0.541075 0.82638  0.283528  0.194046    0.125382    0.176706    31  ARG   A HH22 
278  N N    . GLY   A 20  ? 0.460921 0.49069  0.203745  0.137858    0.078943    0.146612    32  GLY   A N    
279  C CA   . GLY   A 20  ? 0.462054 0.48417  0.205409  0.135067    0.062643    0.130854    32  GLY   A CA   
280  C C    . GLY   A 20  ? 0.440315 0.4527   0.193994  0.148129    0.0752292   0.106005    32  GLY   A C    
281  O O    . GLY   A 20  ? 0.474517 0.436693 0.197385  0.157607    0.0780293   0.101391    32  GLY   A O    
282  H H    . GLY   A 20  ? 0.472404 0.490312 0.231198  0.137797    0.0716607   0.155365    32  GLY   A H    
283  H HA2  . GLY   A 20  ? 0.44967  0.49057  0.20411   0.1231      0.0812096   0.131924    32  GLY   A HA2  
284  H HA3  . GLY   A 20  ? 0.454203 0.454361 0.222103  0.121707    0.0697719   0.129864    32  GLY   A HA3  
285  N N    . VAL   A 21  ? 0.47098  0.461625 0.172533  0.146409    0.0813054   0.0905783   33  VAL   A N    
286  C CA   . VAL   A 21  ? 0.503404 0.432424 0.167738  0.168301    0.0313926   0.0588338   33  VAL   A CA   
287  C C    . VAL   A 21  ? 0.537311 0.451205 0.173741  0.194142    0.0430017   0.0596425   33  VAL   A C    
288  O O    . VAL   A 21  ? 0.549416 0.476861 0.169793  0.206251    0.0367495   0.0670594   33  VAL   A O    
289  C CB   . VAL   A 21  ? 0.498125 0.395751 0.225569  0.142063    0.0224743   0.0395272   33  VAL   A CB   
290  C CG1  . VAL   A 21  ? 0.506251 0.402063 0.204357  0.136955    -0.00566315 -0.00442151 33  VAL   A CG1  
291  C CG2  . VAL   A 21  ? 0.469347 0.377958 0.234792  0.0908174   0.0162795   0.0319883   33  VAL   A CG2  
292  H H    . VAL   A 21  ? 0.494032 0.465096 0.193429  0.151662    0.0686622   0.0986613   33  VAL   A H    
293  H HA   . VAL   A 21  ? 0.481853 0.431901 0.167297  0.166769    0.0443649   0.0568462   33  VAL   A HA   
294  H HB   . VAL   A 21  ? 0.513072 0.401163 0.225778  0.141245    0.012004    0.0409634   33  VAL   A HB   
295  H HG11 . VAL   A 21  ? 0.492455 0.399331 0.202996  0.138432    0.00357981  -0.0019648  33  VAL   A HG11 
296  H HG12 . VAL   A 21  ? 0.517025 0.411232 0.204085  0.153962    -0.0106009  -0.00154733 33  VAL   A HG12 
297  H HG13 . VAL   A 21  ? 0.496229 0.376428 0.21998   0.138625    -0.00742872 9.941e-05   33  VAL   A HG13 
298  H HG21 . VAL   A 21  ? 0.464698 0.357429 0.241739  0.100767    0.0164197   0.0272993   33  VAL   A HG21 
299  H HG22 . VAL   A 21  ? 0.481394 0.379243 0.243244  0.0928802   0.0279446   0.0424545   33  VAL   A HG22 
300  H HG23 . VAL   A 21  ? 0.461592 0.380687 0.224354  0.0957383   0.0270434   0.030919    33  VAL   A HG23 
301  N N    . LEU   A 22  ? 0.567014 0.494801 0.173093  0.212787    0.0420542   0.0558031   34  LEU   A N    
302  C CA   . LEU   A 22  ? 0.566781 0.508433 0.173691  0.251579    0.0519604   0.0611896   34  LEU   A CA   
303  C C    . LEU   A 22  ? 0.566358 0.494218 0.186196  0.283825    0.0203521   0.0158796   34  LEU   A C    
304  O O    . LEU   A 22  ? 0.561944 0.481131 0.189729  0.247839    0.0342193   0.0410428   34  LEU   A O    
305  C CB   . LEU   A 22  ? 0.584177 0.570155 0.143913  0.232217    0.0911166   0.110002    34  LEU   A CB   
306  C CG   . LEU   A 22  ? 0.575685 0.578953 0.202875  0.218868    0.142615    0.168332    34  LEU   A CG   
307  C CD1  . LEU   A 22  ? 0.582944 0.599227 0.238086  0.227148    0.156274    0.172609    34  LEU   A CD1  
308  C CD2  . LEU   A 22  ? 0.607262 0.602055 0.287331  0.220795    0.117796    0.202734    34  LEU   A CD2  
309  H H    . LEU   A 22  ? 0.538095 0.47847  0.170188  0.211088    0.0524045   0.0510558   34  LEU   A H    
310  H HA   . LEU   A 22  ? 0.590328 0.522643 0.175756  0.247835    0.0452906   0.0739978   34  LEU   A HA   
311  H HB2  . LEU   A 22  ? 0.561171 0.554975 0.159319  0.240065    0.0951997   0.100511    34  LEU   A HB2  
312  H HB3  . LEU   A 22  ? 0.601011 0.595875 0.157493  0.254218    0.0893895   0.0973561   34  LEU   A HB3  
313  H HG   . LEU   A 22  ? 0.560747 0.544442 0.211566  0.203893    0.134026    0.169973    34  LEU   A HG   
314  H HD11 . LEU   A 22  ? 0.560536 0.591581 0.227643  0.223966    0.157847    0.161702    34  LEU   A HD11 
315  H HD12 . LEU   A 22  ? 0.588381 0.627588 0.232701  0.211722    0.168333    0.189029    34  LEU   A HD12 
316  H HD13 . LEU   A 22  ? 0.600308 0.641969 0.226819  0.241839    0.15427     0.162908    34  LEU   A HD13 
317  H HD21 . LEU   A 22  ? 0.605724 0.571894 0.266428  0.219001    0.110995    0.19574     34  LEU   A HD21 
318  H HD22 . LEU   A 22  ? 0.627978 0.639166 0.263546  0.23545     0.119108    0.192976    34  LEU   A HD22 
319  H HD23 . LEU   A 22  ? 0.617787 0.622479 0.269374  0.208242    0.134084    0.216238    34  LEU   A HD23 
320  N N    . LYS   A 23  ? 0.663746 0.520583 0.148473  0.2889      -0.0219349  0.0229565   35  LYS   A N    
321  C CA   . LYS   A 23  ? 0.693903 0.521466 0.163924  0.284203    -0.0183079  -0.0237194  35  LYS   A CA   
322  C C    . LYS   A 23  ? 0.722618 0.533477 0.17231   0.340165    -0.0167429  -0.0338613  35  LYS   A C    
323  O O    . LYS   A 23  ? 0.781989 0.562605 0.208516  0.360755    -0.0191707  0.00600698  35  LYS   A O    
324  C CB   . LYS   A 23  ? 0.690494 0.519633 0.187851  0.272933    -0.053606   -0.0166582  35  LYS   A CB   
325  C CG   . LYS   A 23  ? 0.687757 0.550317 0.206197  0.271582    -0.101961   -0.0513018  35  LYS   A CG   
326  C CD   . LYS   A 23  ? 0.66478  0.508637 0.262462  0.272331    -0.103502   -0.0776333  35  LYS   A CD   
327  C CE   . LYS   A 23  ? 0.656883 0.521896 0.338552  0.305179    -0.138235   -0.0974845  35  LYS   A CE   
328  N NZ   . LYS   A 23  ? 0.674399 0.506935 0.324805  0.313178    -0.180778   -0.131747   35  LYS   A NZ   
329  H H    . LYS   A 23  ? 0.672866 0.544333 0.154563  0.290615    -0.00564246 0.0321962   35  LYS   A H    
330  H HA   . LYS   A 23  ? 0.6683   0.498874 0.176571  0.289634    -0.022007   -0.0273125  35  LYS   A HA   
331  H HB2  . LYS   A 23  ? 0.66637  0.495193 0.187283  0.258041    -0.0479635  -0.00861779 35  LYS   A HB2  
332  H HB3  . LYS   A 23  ? 0.707922 0.543582 0.183842  0.274112    -0.0563443  -0.0109573  35  LYS   A HB3  
333  H HG2  . LYS   A 23  ? 0.710288 0.566929 0.220654  0.290139    -0.100681   -0.0658743  35  LYS   A HG2  
334  H HG3  . LYS   A 23  ? 0.667842 0.514834 0.218183  0.273744    -0.092076   -0.058186   35  LYS   A HG3  
335  H HD2  . LYS   A 23  ? 0.642284 0.487895 0.259568  0.264835    -0.0988395  -0.0648042  35  LYS   A HD2  
336  H HD3  . LYS   A 23  ? 0.68496  0.538905 0.266045  0.280334    -0.111949   -0.0667686  35  LYS   A HD3  
337  H HE2  . LYS   A 23  ? 0.687264 0.54288  0.324016  0.310416    -0.150049   -0.115348   35  LYS   A HE2  
338  H HE3  . LYS   A 23  ? 0.643004 0.489947 0.330032  0.293227    -0.139156   -0.109068   35  LYS   A HE3  
339  H HZ1  . LYS   A 23  ? 0.694934 0.536942 0.330729  0.317463    -0.176946   -0.11957    35  LYS   A HZ1  
340  H HZ2  . LYS   A 23  ? 0.652621 0.48574  0.332374  0.302225    -0.163852   -0.113401   35  LYS   A HZ2  
341  H HZ3  . LYS   A 23  ? 0.676943 0.505223 0.35253   0.312772    -0.187803   -0.133631   35  LYS   A HZ3  
342  N N    . ILE   A 24  ? 0.748558 0.562488 0.231287  0.322473    -0.0612422  -0.0519159  36  ILE   A N    
343  C CA   . ILE   A 24  ? 0.790855 0.565047 0.224846  0.349012    -0.0887454  -0.0616908  36  ILE   A CA   
344  C C    . ILE   A 24  ? 0.804303 0.545885 0.270945  0.34641     -0.133798   -0.0993045  36  ILE   A C    
345  O O    . ILE   A 24  ? 0.763399 0.539842 0.275171  0.343919    -0.131248   -0.105213   36  ILE   A O    
346  C CB   . ILE   A 24  ? 0.815753 0.637221 0.234721  0.347697    -0.0672298  -0.046648   36  ILE   A CB   
347  C CG1  . ILE   A 24  ? 0.808917 0.680671 0.235881  0.329534    -0.0220468  -0.0130347  36  ILE   A CG1  
348  C CG2  . ILE   A 24  ? 0.856803 0.706466 0.248456  0.369953    -0.116261   -0.0479936  36  ILE   A CG2  
349  C CD1  . ILE   A 24  ? 0.839638 0.765744 0.322757  0.341489    -0.0170592  -0.0355331  36  ILE   A CD1  
350  H H    . ILE   A 24  ? 0.723331 0.522074 0.230943  0.32566     -0.0519282  -0.0564382  36  ILE   A H    
351  H HA   . ILE   A 24  ? 0.81391  0.603195 0.221775  0.347062    -0.0917006  -0.0503254  36  ILE   A HA   
352  H HB   . ILE   A 24  ? 0.792478 0.610204 0.247391  0.346674    -0.0716445  -0.0495765  36  ILE   A HB   
353  H HG12 . ILE   A 24  ? 0.822868 0.698511 0.23489   0.328139    -0.0276169  -0.00355917 36  ILE   A HG12 
354  H HG13 . ILE   A 24  ? 0.780035 0.652448 0.237516  0.31613     -0.0179656  -0.00207697 36  ILE   A HG13 
355  H HG21 . ILE   A 24  ? 0.871398 0.728291 0.257688  0.383035    -0.100716   -0.0704853  36  ILE   A HG21 
356  H HG22 . ILE   A 24  ? 0.881884 0.730534 0.23543   0.374116    -0.111088   -0.0494927  36  ILE   A HG22 
357  H HG23 . ILE   A 24  ? 0.861028 0.670846 0.268171  0.371469    -0.127182   -0.0691999  36  ILE   A HG23 
358  H HD11 . ILE   A 24  ? 0.828035 0.749407 0.316514  0.348424    -0.0162634  -0.05117    36  ILE   A HD11 
359  H HD12 . ILE   A 24  ? 0.833686 0.786579 0.288307  0.338195    0.0060256   -0.0192077  36  ILE   A HD12 
360  H HD13 . ILE   A 24  ? 0.871601 0.799537 0.312079  0.359416    -0.0208447  -0.048389   36  ILE   A HD13 
361  N N    . VAL   A 25  ? 0.857778 0.561347 0.24805   0.356259    -0.153168   -0.102874   37  VAL   A N    
362  C CA   . VAL   A 25  ? 0.89764  0.558654 0.351561  0.354583    -0.171782   -0.123208   37  VAL   A CA   
363  C C    . VAL   A 25  ? 0.960961 0.57942  0.330162  0.381962    -0.148234   -0.157102   37  VAL   A C    
364  O O    . VAL   A 25  ? 1.07012  0.640374 0.289757  0.431605    -0.146282   -0.145268   37  VAL   A O    
365  C CB   . VAL   A 25  ? 0.928348 0.556059 0.351056  0.347491    -0.207628   -0.11033    37  VAL   A CB   
366  C CG1  . VAL   A 25  ? 0.947906 0.53733  0.402121  0.356013    -0.270048   -0.141276   37  VAL   A CG1  
367  C CG2  . VAL   A 25  ? 0.895976 0.524806 0.363917  0.324937    -0.194084   -0.0933757  37  VAL   A CG2  
368  H H    . VAL   A 25  ? 0.874937 0.591191 0.254204  0.35671     -0.149126   -0.0881498  37  VAL   A H    
369  H HA   . VAL   A 25  ? 0.870294 0.51001  0.348523  0.343815    -0.174769   -0.114381   37  VAL   A HA   
370  H HB   . VAL   A 25  ? 0.95679  0.605165 0.344954  0.358851    -0.20616    -0.120234   37  VAL   A HB   
371  H HG11 . VAL   A 25  ? 0.920091 0.500796 0.414808  0.343212    -0.260624   -0.135475   37  VAL   A HG11 
372  H HG12 . VAL   A 25  ? 0.974803 0.568959 0.413556  0.368107    -0.266916   -0.162488   37  VAL   A HG12 
373  H HG13 . VAL   A 25  ? 0.956024 0.546508 0.409353  0.35174     -0.276819   -0.138664   37  VAL   A HG13 
374  H HG21 . VAL   A 25  ? 0.912215 0.533592 0.370382  0.325123    -0.211067   -0.0904407  37  VAL   A HG21 
375  H HG22 . VAL   A 25  ? 0.890784 0.536157 0.335923  0.321934    -0.177689   -0.0737311  37  VAL   A HG22 
376  H HG23 . VAL   A 25  ? 0.866726 0.485613 0.368504  0.314223    -0.193968   -0.0853748  37  VAL   A HG23 
377  N N    . LYS   A 26  ? 0.935013 0.572735 0.29977   0.372952    -0.180761   -0.17566    38  LYS   A N    
378  C CA   . LYS   A 26  ? 0.952666 0.601971 0.395656  0.39386     -0.1923     -0.172588   38  LYS   A CA   
379  C C    . LYS   A 26  ? 0.957323 0.618257 0.409154  0.414118    -0.205343   -0.230388   38  LYS   A C    
380  O O    . LYS   A 26  ? 0.981647 0.67358  0.481516  0.458783    -0.144402   -0.309465   38  LYS   A O    
381  C CB   . LYS   A 26  ? 0.922752 0.497159 0.44384   0.388143    -0.204316   -0.145203   38  LYS   A CB   
382  C CG   . LYS   A 26  ? 0.906975 0.548095 0.414931  0.349363    -0.163602   -0.0951258  38  LYS   A CG   
383  C CD   . LYS   A 26  ? 0.934138 0.659341 0.400851  0.34804     -0.160444   -0.0696621  38  LYS   A CD   
384  C CE   . LYS   A 26  ? 0.972585 0.694144 0.397413  0.372771    -0.175449   -0.0914386  38  LYS   A CE   
385  N NZ   . LYS   A 26  ? 1.01007  0.758888 0.383243  0.378849    -0.129024   -0.083575   38  LYS   A NZ   
386  H H    . LYS   A 26  ? 0.904756 0.531772 0.320194  0.360692    -0.16801    -0.150113   38  LYS   A H    
387  H HA   . LYS   A 26  ? 0.970693 0.637675 0.374364  0.409175    -0.181001   -0.187345   38  LYS   A HA   
388  H HB2  . LYS   A 26  ? 0.908586 0.479533 0.451484  0.366818    -0.208054   -0.131864   38  LYS   A HB2  
389  H HB3  . LYS   A 26  ? 0.951098 0.527072 0.469923  0.400588    -0.207239   -0.16674    38  LYS   A HB3  
390  H HG2  . LYS   A 26  ? 0.876759 0.520745 0.393948  0.334592    -0.161055   -0.0723912  38  LYS   A HG2  
391  H HG3  . LYS   A 26  ? 0.894031 0.532939 0.43407   0.352588    -0.16573    -0.0955699  38  LYS   A HG3  
392  H HD2  . LYS   A 26  ? 0.939778 0.662015 0.375334  0.346286    -0.154848   -0.0728873  38  LYS   A HD2  
393  H HD3  . LYS   A 26  ? 0.90997  0.645508 0.373346  0.344921    -0.137371   -0.0574169  38  LYS   A HD3  
394  H HE2  . LYS   A 26  ? 0.978229 0.669674 0.433909  0.377189    -0.180776   -0.0995012  38  LYS   A HE2  
395  H HE3  . LYS   A 26  ? 1.0067   0.717131 0.410381  0.379639    -0.186526   -0.111713   38  LYS   A HE3  
396  H HZ1  . LYS   A 26  ? 0.976537 0.741002 0.384138  0.375968    -0.12113    -0.0735267  38  LYS   A HZ1  
397  H HZ2  . LYS   A 26  ? 1.00142  0.775235 0.359074  0.375419    -0.123586   -0.0758671  38  LYS   A HZ2  
398  H HZ3  . LYS   A 26  ? 1.03196  0.794223 0.407705  0.401526    -0.139013   -0.112351   38  LYS   A HZ3  
399  N N    . ARG   A 27  ? 0.898146 0.619978 0.4375    0.405624    -0.223958   -0.222039   39  ARG   A N    
400  C CA   . ARG   A 27  ? 0.923913 0.676536 0.480488  0.390452    -0.234666   -0.269022   39  ARG   A CA   
401  C C    . ARG   A 27  ? 0.920639 0.627191 0.415071  0.372598    -0.261058   -0.236784   39  ARG   A C    
402  O O    . ARG   A 27  ? 0.855906 0.626278 0.382774  0.370584    -0.238053   -0.213119   39  ARG   A O    
403  C CB   . ARG   A 27  ? 0.877621 0.66154  0.575824  0.386595    -0.274707   -0.266441   39  ARG   A CB   
404  C CG   . ARG   A 27  ? 0.934945 0.728088 0.677979  0.361414    -0.276654   -0.330464   39  ARG   A CG   
405  C CD   . ARG   A 27  ? 0.929369 0.719716 0.796618  0.316956    -0.249262   -0.306976   39  ARG   A CD   
406  N NE   . ARG   A 27  ? 0.916449 0.738766 0.869167  0.280817    -0.237344   -0.322181   39  ARG   A NE   
407  C CZ   . ARG   A 27  ? 0.807833 0.621097 0.912312  0.279595    -0.234897   -0.314605   39  ARG   A CZ   
408  N NH1  . ARG   A 27  ? 0.698039 0.512587 0.922552  0.268251    -0.2414     -0.282479   39  ARG   A NH1  
409  N NH2  . ARG   A 27  ? 0.824111 0.570068 0.993314  0.340215    -0.248848   -0.340375   39  ARG   A NH2  
410  H H    . ARG   A 27  ? 0.875271 0.593174 0.425131  0.382043    -0.207788   -0.198061   39  ARG   A H    
411  H HA   . ARG   A 27  ? 0.960968 0.70738  0.485045  0.413001    -0.252119   -0.286896   39  ARG   A HA   
412  H HB2  . ARG   A 27  ? 0.885987 0.67267  0.582791  0.397289    -0.255755   -0.2828     39  ARG   A HB2  
413  H HB3  . ARG   A 27  ? 0.853897 0.631196 0.573425  0.361285    -0.255385   -0.248128   39  ARG   A HB3  
414  H HG2  . ARG   A 27  ? 0.950566 0.742743 0.67356   0.36535     -0.282819   -0.328774   39  ARG   A HG2  
415  H HG3  . ARG   A 27  ? 0.967565 0.741624 0.710956  0.381028    -0.285825   -0.346798   39  ARG   A HG3  
416  H HD2  . ARG   A 27  ? 0.88497  0.696029 0.754752  0.297864    -0.244055   -0.283246   39  ARG   A HD2  
417  H HD3  . ARG   A 27  ? 0.951887 0.725897 0.818792  0.314217    -0.278315   -0.32441    39  ARG   A HD3  
418  H HE   . ARG   A 27  ? 0.92981  0.726247 0.87049   0.305604    -0.241391   -0.335112   39  ARG   A HE   
419  H HH11 . ARG   A 27  ? 0.698144 0.527184 0.875822  0.264023    -0.223902   -0.271592   39  ARG   A HH11 
420  H HH12 . ARG   A 27  ? 0.712815 0.512906 0.946874  0.250419    -0.245761   -0.269909   39  ARG   A HH12 
421  H HH21 . ARG   A 27  ? 0.847952 0.600173 0.999566  0.350079    -0.246807   -0.358463   39  ARG   A HH21 
422  H HH22 . ARG   A 27  ? 0.813896 0.560154 1.01477   0.310254    -0.253211   -0.317856   39  ARG   A HH22 
423  N N    . VAL   A 28  ? 0.973642 0.682245 0.421177  0.374344    -0.276827   -0.227716   40  VAL   A N    
424  C CA   . VAL   A 28  ? 0.95466  0.653023 0.366833  0.352448    -0.284264   -0.197161   40  VAL   A CA   
425  C C    . VAL   A 28  ? 0.947262 0.598615 0.474687  0.311219    -0.308      -0.180098   40  VAL   A C    
426  O O    . VAL   A 28  ? 0.961147 0.595956 0.584666  0.323132    -0.288428   -0.16299    40  VAL   A O    
427  C CB   . VAL   A 28  ? 1.0289   0.729417 0.374851  0.356438    -0.31775    -0.205757   40  VAL   A CB   
428  C CG1  . VAL   A 28  ? 1.00989  0.712205 0.377294  0.351359    -0.338947   -0.205782   40  VAL   A CG1  
429  C CG2  . VAL   A 28  ? 1.06113  0.792314 0.327863  0.384132    -0.291414   -0.203747   40  VAL   A CG2  
430  H H    . VAL   A 28  ? 1.00477  0.713021 0.422391  0.388707    -0.285041   -0.248363   40  VAL   A H    
431  H HA   . VAL   A 28  ? 0.931278 0.638722 0.349032  0.338842    -0.266713   -0.16796    40  VAL   A HA   
432  H HB   . VAL   A 28  ? 1.05755  0.746095 0.405301  0.37281     -0.332671   -0.237694   40  VAL   A HB   
433  H HG11 . VAL   A 28  ? 0.981903 0.689507 0.356648  0.340315    -0.32037    -0.172911   40  VAL   A HG11 
434  H HG12 . VAL   A 28  ? 1.0156   0.696701 0.416586  0.342307    -0.356982   -0.205837   40  VAL   A HG12 
435  H HG13 . VAL   A 28  ? 1.0503   0.762476 0.381187  0.361289    -0.351223   -0.202342   40  VAL   A HG13 
436  H HG21 . VAL   A 28  ? 1.09125  0.836793 0.331639  0.390142    -0.312327   -0.214491   40  VAL   A HG21 
437  H HG22 . VAL   A 28  ? 1.06113  0.797046 0.32954   0.390939    -0.28213    -0.215652   40  VAL   A HG22 
438  H HG23 . VAL   A 28  ? 1.02566  0.772933 0.30058   0.371002    -0.273441   -0.173973   40  VAL   A HG23 
439  N N    . GLY   A 29  ? 0.908501 0.580457 0.410584  0.271735    -0.314602   -0.163702   41  GLY   A N    
440  C CA   . GLY   A 29  ? 0.924834 0.572413 0.532499  0.218069    -0.336318   -0.148989   41  GLY   A CA   
441  C C    . GLY   A 29  ? 0.983835 0.603788 0.591729  0.214046    -0.391152   -0.156641   41  GLY   A C    
442  O O    . GLY   A 29  ? 1.07178  0.587195 0.576521  0.249518    -0.42487    -0.173434   41  GLY   A O    
443  H H    . GLY   A 29  ? 0.894158 0.577313 0.403487  0.266869    -0.292772   -0.139468   41  GLY   A H    
444  H HA2  . GLY   A 29  ? 0.936757 0.565179 0.549812  0.227527    -0.347654   -0.163618   41  GLY   A HA2  
445  H HA3  . GLY   A 29  ? 0.887717 0.54064  0.513767  0.21311     -0.322584   -0.124244   41  GLY   A HA3  
446  N N    . ASN   A 30  ? 0.956647 0.532708 0.726492  0.200726    -0.408514   -0.167607   42  ASN   A N    
447  C CA   . ASN   A 30  ? 0.946524 0.581102 0.884325  0.205264    -0.445374   -0.168805   42  ASN   A CA   
448  C C    . ASN   A 30  ? 0.923075 0.56777  0.891646  0.188012    -0.43619    -0.189161   42  ASN   A C    
449  O O    . ASN   A 30  ? 0.918294 0.600335 0.877121  0.241253    -0.406948   -0.165427   42  ASN   A O    
450  C CB   . ASN   A 30  ? 0.967796 0.608839 1.01151   0.153069    -0.474903   -0.188832   42  ASN   A CB   
451  C CG   . ASN   A 30  ? 1.02476  0.656748 1.07243   0.156979    -0.44215    -0.217826   42  ASN   A CG   
452  O OD1  . ASN   A 30  ? 1.01595  0.728279 1.06805   0.113491    -0.40234    -0.217931   42  ASN   A OD1  
453  N ND2  . ASN   A 30  ? 1.10925  0.675779 1.11784   0.126533    -0.472392   -0.264659   42  ASN   A ND2  
454  H H    . ASN   A 30  ? 0.918228 0.520576 0.716739  0.188915    -0.388881   -0.140871   42  ASN   A H    
455  H HA   . ASN   A 30  ? 0.988192 0.614974 0.867509  0.209863    -0.455446   -0.195224   42  ASN   A HA   
456  H HB2  . ASN   A 30  ? 0.947437 0.583838 1.02806   0.144098    -0.463655   -0.172323   42  ASN   A HB2  
457  H HB3  . ASN   A 30  ? 1.00075  0.636595 1.03636   0.161149    -0.496866   -0.205118   42  ASN   A HB3  
458  H HD21 . ASN   A 30  ? 1.12275  0.686654 1.12696   0.144557    -0.473412   -0.276913   42  ASN   A HD21 
459  H HD22 . ASN   A 30  ? 1.12418  0.706511 1.13447   0.140254    -0.490809   -0.27174    42  ASN   A HD22 
460  N N    . GLY   A 31  ? 0.961249 0.555789 0.902463  0.220338    -0.449662   -0.165983   43  GLY   A N    
461  C CA   . GLY   A 31  ? 0.897136 0.559445 0.913238  0.202711    -0.451976   -0.156338   43  GLY   A CA   
462  C C    . GLY   A 31  ? 0.87207  0.558452 0.837692  0.194281    -0.437902   -0.14598    43  GLY   A C    
463  O O    . GLY   A 31  ? 0.919627 0.592056 0.894081  0.160186    -0.32059    -0.138291   43  GLY   A O    
464  H H    . GLY   A 31  ? 0.984557 0.597944 0.917643  0.22075     -0.473283   -0.194788   43  GLY   A H    
465  H HA2  . GLY   A 31  ? 0.929146 0.587336 0.939781  0.202161    -0.480645   -0.164439   43  GLY   A HA2  
466  H HA3  . GLY   A 31  ? 0.877428 0.534603 0.929233  0.185916    -0.446308   -0.144799   43  GLY   A HA3  
467  N N    . GLU   A 32  ? 0.88557  0.518106 0.847199  0.186867    -0.450055   -0.154999   44  GLU   A N    
468  C CA   . GLU   A 32  ? 0.91937  0.561865 0.808222  0.163691    -0.422363   -0.118958   44  GLU   A CA   
469  C C    . GLU   A 32  ? 0.862605 0.538854 0.756485  0.148431    -0.427831   -0.0952714  44  GLU   A C    
470  O O    . GLU   A 32  ? 0.847172 0.617806 0.787752  0.116622    -0.37517    -0.0630156  44  GLU   A O    
471  C CB   . GLU   A 32  ? 0.95612  0.59697  0.875581  0.194047    -0.457905   -0.0852703  44  GLU   A CB   
472  H H    . GLU   A 32  ? 0.88407  0.537921 0.885805  0.17266     -0.458674   -0.14357    44  GLU   A H    
473  H HA   . GLU   A 32  ? 0.925821 0.567617 0.775401  0.183442    -0.42563    -0.120917   44  GLU   A HA   
474  H HB2  . GLU   A 32  ? 0.253303 0.253303 0.253303  0           0           0           44  GLU   A HB2  
475  H HB3  . GLU   A 32  ? 0.253303 0.253303 0.253303  0           0           0           44  GLU   A HB3  
476  N N    . GLU   A 33  ? 0.841634 0.513216 0.727741  0.143313    -0.44889    -0.121976   45  GLU   A N    
477  C CA   . GLU   A 33  ? 0.785036 0.477514 0.740072  0.164608    -0.386891   -0.124621   45  GLU   A CA   
478  C C    . GLU   A 33  ? 0.757675 0.417664 0.679641  0.17837     -0.358057   -0.104521   45  GLU   A C    
479  O O    . GLU   A 33  ? 0.775554 0.393825 0.759079  0.21685     -0.327357   -0.131907   45  GLU   A O    
480  C CB   . GLU   A 33  ? 0.766356 0.539851 0.760098  0.124558    -0.385149   -0.119476   45  GLU   A CB   
481  H H    . GLU   A 33  ? 0.846403 0.516882 0.776814  0.142314    -0.454027   -0.130169   45  GLU   A H    
482  H HA   . GLU   A 33  ? 0.781999 0.486532 0.731012  0.164706    -0.387501   -0.105677   45  GLU   A HA   
483  H HB2  . GLU   A 33  ? 0.253303 0.253303 0.253303  0           0           0           45  GLU   A HB2  
484  H HB3  . GLU   A 33  ? 0.253303 0.253303 0.253303  0           0           0           45  GLU   A HB3  
485  N N    . THR   A 34  ? 0.705285 0.381471 0.577184  0.19117     -0.337565   -0.0755153  46  THR   A N    
486  C CA   . THR   A 34  ? 0.651847 0.360276 0.508564  0.178396    -0.281934   -0.0812179  46  THR   A CA   
487  C C    . THR   A 34  ? 0.611743 0.390043 0.570288  0.188058    -0.232625   -0.0828812  46  THR   A C    
488  O O    . THR   A 34  ? 0.651578 0.443086 0.654943  0.207815    -0.219406   -0.110721   46  THR   A O    
489  C CB   . THR   A 34  ? 0.660331 0.39396  0.454824  0.187788    -0.226301   -0.0839141  46  THR   A CB   
490  O OG1  . THR   A 34  ? 0.642865 0.340068 0.491892  0.149614    -0.180268   -0.0194224  46  THR   A OG1  
491  C CG2  . THR   A 34  ? 0.712705 0.438912 0.452724  0.210982    -0.234666   -0.0912302  46  THR   A CG2  
492  H H    . THR   A 34  ? 0.703966 0.389821 0.596287  0.195179    -0.332352   -0.0730237  46  THR   A H    
493  H HA   . THR   A 34  ? 0.658207 0.363341 0.517348  0.181199    -0.277637   -0.0893524  46  THR   A HA   
494  H HB   . THR   A 34  ? 0.642169 0.364155 0.439081  0.176051    -0.20611    -0.0687965  46  THR   A HB   
495  H HG1  . THR   A 34  ? 0.253303 0.253303 0.253303  0           0           0           46  THR   A HG1  
496  H HG21 . THR   A 34  ? 0.715167 0.439777 0.424818  0.214461    -0.227547   -0.0866451  46  THR   A HG21 
497  H HG22 . THR   A 34  ? 0.727806 0.452201 0.476039  0.213609    -0.25668    -0.0941935  46  THR   A HG22 
498  H HG23 . THR   A 34  ? 0.71071  0.43175  0.449969  0.206462    -0.242606   -0.10295    46  THR   A HG23 
499  N N    . PRO   A 35  ? 0.592254 0.387813 0.575612  0.163051    -0.222785   -0.0688035  47  PRO   A N    
500  C CA   . PRO   A 35  ? 0.555705 0.331821 0.568457  0.132896    -0.197139   -0.0577963  47  PRO   A CA   
501  C C    . PRO   A 35  ? 0.535175 0.33878  0.546113  0.103692    -0.184781   -0.0343013  47  PRO   A C    
502  O O    . PRO   A 35  ? 0.594587 0.340991 0.459539  0.0953023   -0.179593   -0.0198406  47  PRO   A O    
503  C CB   . PRO   A 35  ? 0.534934 0.334285 0.578732  0.119833    -0.186271   -0.0501433  47  PRO   A CB   
504  C CG   . PRO   A 35  ? 0.536743 0.381187 0.538556  0.15088     -0.183331   -0.0396106  47  PRO   A CG   
505  C CD   . PRO   A 35  ? 0.580118 0.398169 0.554296  0.162231    -0.197019   -0.101174   47  PRO   A CD   
506  H HA   . PRO   A 35  ? 0.556178 0.35691  0.610233  0.125459    -0.212584   -0.0541991  47  PRO   A HA   
507  H HB2  . PRO   A 35  ? 0.520147 0.34002  0.563343  0.116705    -0.163414   -0.0429866  47  PRO   A HB2  
508  H HB3  . PRO   A 35  ? 0.536357 0.34287  0.594684  0.114158    -0.19429    -0.0462885  47  PRO   A HB3  
509  H HG2  . PRO   A 35  ? 0.53904  0.367271 0.514133  0.150991    -0.164974   -0.0510945  47  PRO   A HG2  
510  H HG3  . PRO   A 35  ? 0.542014 0.361622 0.53446   0.141511    -0.182494   -0.0537697  47  PRO   A HG3  
511  H HD2  . PRO   A 35  ? 0.5896   0.392922 0.524256  0.172454    -0.203383   -0.0834484  47  PRO   A HD2  
512  H HD3  . PRO   A 35  ? 0.590096 0.394226 0.567904  0.161324    -0.221704   -0.0883275  47  PRO   A HD3  
513  N N    . MET   A 36  ? 0.506209 0.350826 0.56046   0.103202    -0.200937   -0.00499176 48  MET   A N    
514  C CA   . MET   A 36  ? 0.492106 0.344171 0.594296  0.117282    -0.145392   -0.00962682 48  MET   A CA   
515  C C    . MET   A 36  ? 0.451689 0.31243  0.580336  0.108271    -0.106703   0.00906917  48  MET   A C    
516  O O    . MET   A 36  ? 0.446192 0.308484 0.610085  0.096257    -0.11558    0.0154907   48  MET   A O    
517  C CB   . MET   A 36  ? 0.515944 0.398158 0.64546   0.119346    -0.146849   -0.00140387 48  MET   A CB   
518  C CG   . MET   A 36  ? 0.555682 0.442244 0.674888  0.130694    -0.16865    0.0119527   48  MET   A CG   
519  S SD   . MET   A 36  ? 0.589885 0.444342 0.635088  0.156851    -0.143318   0.0300877   48  MET   A SD   
520  C CE   . MET   A 36  ? 0.612013 0.473452 0.652876  0.184965    -0.137418   -0.0281242  48  MET   A CE   
521  H H    . MET   A 36  ? 0.504895 0.356841 0.593759  0.0956519   -0.191491   -0.0125118  48  MET   A H    
522  H HA   . MET   A 36  ? 0.50456  0.341494 0.576772  0.126802    -0.152423   -0.00286179 48  MET   A HA   
523  H HB2  . MET   A 36  ? 0.504029 0.406646 0.662658  0.107449    -0.141808   -0.00084688 48  MET   A HB2  
524  H HB3  . MET   A 36  ? 0.511358 0.401812 0.659295  0.123947    -0.130667   -0.00344628 48  MET   A HB3  
525  H HG2  . MET   A 36  ? 0.55914  0.434309 0.66052   0.128282    -0.181979   0.0128885   48  MET   A HG2  
526  H HG3  . MET   A 36  ? 0.551713 0.454494 0.712468  0.131687    -0.170386   0.0110093   48  MET   A HG3  
527  H HE1  . MET   A 36  ? 0.628246 0.479963 0.667167  0.193798    -0.158501   -0.0127657  48  MET   A HE1  
528  H HE2  . MET   A 36  ? 0.614981 0.464774 0.64455   0.178302    -0.160572   -0.0198495  48  MET   A HE2  
529  H HE3  . MET   A 36  ? 0.60152  0.486628 0.700402  0.179441    -0.1501     -0.0168927  48  MET   A HE3  
530  N N    . ILE   A 37  ? 0.417727 0.33899  0.591887  0.0793339   -0.0837921  0.0176923   49  ILE   A N    
531  C CA   . ILE   A 37  ? 0.422805 0.310521 0.576663  0.0854973   -0.0533286  0.0278891   49  ILE   A CA   
532  C C    . ILE   A 37  ? 0.390666 0.331459 0.616957  0.0888608   -0.0294726  0.0168967   49  ILE   A C    
533  O O    . ILE   A 37  ? 0.420343 0.342932 0.634852  0.101939    -0.0161466  0.0280281   49  ILE   A O    
534  C CB   . ILE   A 37  ? 0.428819 0.335755 0.594551  0.0757324   -0.0379707  0.00479913  49  ILE   A CB   
535  C CG1  . ILE   A 37  ? 0.432713 0.352032 0.549604  0.0786612   -0.0437748  0.0035731   49  ILE   A CG1  
536  C CG2  . ILE   A 37  ? 0.398004 0.324994 0.583115  0.0618151   -0.00735158 -0.00932846 49  ILE   A CG2  
537  C CD1  . ILE   A 37  ? 0.508628 0.389844 0.59562   0.0312498   -0.0247039  -0.00479104 49  ILE   A CD1  
538  H H    . ILE   A 37  ? 0.440753 0.32797  0.599669  0.102655    -0.0902124  0.0141415   49  ILE   A H    
539  H HA   . ILE   A 37  ? 0.40978  0.309186 0.548226  0.0745868   -0.047624   0.0238959   49  ILE   A HA   
540  H HB   . ILE   A 37  ? 0.433069 0.341104 0.624336  0.0874221   -0.042737   0.00267396  49  ILE   A HB   
541  H HG12 . ILE   A 37  ? 0.431923 0.341519 0.522792  0.0622672   -0.0372739  0.00707608  49  ILE   A HG12 
542  H HG13 . ILE   A 37  ? 0.450326 0.343118 0.550656  0.07566     -0.06047    0.0104121   49  ILE   A HG13 
543  H HG21 . ILE   A 37  ? 0.412847 0.326487 0.594143  0.0670182   0.00089     -0.0166257  49  ILE   A HG21 
544  H HG22 . ILE   A 37  ? 0.395472 0.324852 0.554433  0.0522755   -0.00313072 -0.00456639 49  ILE   A HG22 
545  H HG23 . ILE   A 37  ? 0.397396 0.352052 0.613876  0.0596997   -0.00158501 -0.0116557  49  ILE   A HG23 
546  H HD11 . ILE   A 37  ? 0.507797 0.387111 0.626998  0.0550626   -0.0299068  -0.00740717 49  ILE   A HD11 
547  H HD12 . ILE   A 37  ? 0.501827 0.364697 0.571534  0.0524234   -0.034489   0.00307713  49  ILE   A HD12 
548  H HD13 . ILE   A 37  ? 0.488071 0.380113 0.589198  0.0425209   -0.00869075 -0.0116002  49  ILE   A HD13 
549  N N    . GLY   A 38  ? 0.378155 0.311611 0.593282  0.0640146   -0.0184448  0.0196408   50  GLY   A N    
550  C CA   . GLY   A 38  ? 0.397078 0.361334 0.647969  0.02738     -0.0179075  0.0343837   50  GLY   A CA   
551  C C    . GLY   A 38  ? 0.399482 0.334449 0.656851  0.0529651   -0.0447878  0.0494855   50  GLY   A C    
552  O O    . GLY   A 38  ? 0.422052 0.347343 0.678231  0.0294124   -0.0695004  0.0867056   50  GLY   A O    
553  H H    . GLY   A 38  ? 0.380086 0.307628 0.565882  0.0577141   -0.0164618  0.02398     50  GLY   A H    
554  H HA2  . GLY   A 38  ? 0.390614 0.364785 0.630955  0.031529    0.00302053  0.0299703   50  GLY   A HA2  
555  H HA3  . GLY   A 38  ? 0.399239 0.372246 0.678754  0.0443685   -0.0139773  0.0257072   50  GLY   A HA3  
556  N N    . ASP   A 39  ? 0.429243 0.311912 0.67788   0.0724278   -0.0653802  0.0570753   51  ASP   A N    
557  C CA   . ASP   A 39  ? 0.409735 0.311954 0.697617  0.048717    -0.0852163  0.0502711   51  ASP   A CA   
558  C C    . ASP   A 39  ? 0.416941 0.293901 0.64997   0.0408678   -0.065975   0.0720919   51  ASP   A C    
559  O O    . ASP   A 39  ? 0.395711 0.298091 0.640195  0.0440837   -0.0554829  0.0745813   51  ASP   A O    
560  C CB   . ASP   A 39  ? 0.441705 0.280043 0.697971  0.0472006   -0.107024   0.0564897   51  ASP   A CB   
561  C CG   . ASP   A 39  ? 0.462084 0.32271  0.740088  0.0519495   -0.12976    0.0517443   51  ASP   A CG   
562  O OD1  . ASP   A 39  ? 0.460943 0.330227 0.755532  0.0330398   -0.106472   0.0771749   51  ASP   A OD1  
563  O OD2  . ASP   A 39  ? 0.493168 0.365502 0.772905  0.0658216   -0.130316   0.0477144   51  ASP   A OD2  
564  H H    . ASP   A 39  ? 0.420717 0.296763 0.657362  0.079216    -0.0719122  0.0452556   51  ASP   A H    
565  H HA   . ASP   A 39  ? 0.416234 0.329443 0.733003  0.0420391   -0.0832888  0.0610442   51  ASP   A HA   
566  H HB2  . ASP   A 39  ? 0.438817 0.270719 0.661883  0.0572003   -0.10565    0.0506884   51  ASP   A HB2  
567  H HB3  . ASP   A 39  ? 0.445206 0.280273 0.704306  0.0428849   -0.123439   0.0577017   51  ASP   A HB3  
568  N N    . LYS   A 40  ? 0.436806 0.313751 0.704571  0.026694    -0.0813844  0.0757782   52  LYS   A N    
569  C CA   . LYS   A 40  ? 0.437866 0.323797 0.686012  0.0157767   -0.0761107  0.106055    52  LYS   A CA   
570  C C    . LYS   A 40  ? 0.443269 0.308671 0.681991  0.0198181   -0.105771   0.115065    52  LYS   A C    
571  O O    . LYS   A 40  ? 0.467303 0.342101 0.72951   0.037713    -0.0987043  0.10025     52  LYS   A O    
572  C CB   . LYS   A 40  ? 0.457182 0.369845 0.758911  0.00098366  -0.0633142  0.125035    52  LYS   A CB   
573  C CG   . LYS   A 40  ? 0.504998 0.403272 0.764604  0.0102634   -0.0461609  0.1485      52  LYS   A CG   
574  C CD   . LYS   A 40  ? 0.568181 0.479305 0.854016  -0.0334769  -0.0189839  0.168809    52  LYS   A CD   
575  C CE   . LYS   A 40  ? 0.624992 0.580827 0.860417  -0.0560501  0.0319407   0.182993    52  LYS   A CE   
576  N NZ   . LYS   A 40  ? 0.635632 0.626127 0.881959  -0.0294052  0.0744032   0.156463    52  LYS   A NZ   
577  H H    . LYS   A 40  ? 0.43528  0.331656 0.735429  0.0229809   -0.0849611  0.0834074   52  LYS   A H    
578  H HA   . LYS   A 40  ? 0.432457 0.32608  0.661074  0.0139689   -0.0581453  0.105237    52  LYS   A HA   
579  H HB2  . LYS   A 40  ? 0.453564 0.398249 0.764275  -0.00194845 -0.0439994  0.126748    52  LYS   A HB2  
580  H HB3  . LYS   A 40  ? 0.466891 0.371425 0.788373  0.00349776  -0.0824935  0.124976    52  LYS   A HB3  
581  H HG2  . LYS   A 40  ? 0.510237 0.375223 0.761679  0.00841848  -0.0633935  0.143419    52  LYS   A HG2  
582  H HG3  . LYS   A 40  ? 0.498395 0.405402 0.736156  0.00070579  -0.025789   0.147513    52  LYS   A HG3  
583  H HD2  . LYS   A 40  ? 0.564271 0.492366 0.879556  -0.0318858  -0.0247419  0.165531    52  LYS   A HD2  
584  H HD3  . LYS   A 40  ? 0.576916 0.469289 0.865632  -0.0350183  -0.0420229  0.178424    52  LYS   A HD3  
585  H HE2  . LYS   A 40  ? 0.625099 0.597412 0.904201  -0.0688532  0.0277907   0.198876    52  LYS   A HE2  
586  H HE3  . LYS   A 40  ? 0.622162 0.557809 0.837117  -0.0519682  0.0315204   0.186425    52  LYS   A HE3  
587  H HZ1  . LYS   A 40  ? 0.626279 0.622347 0.893458  -0.0314062  0.0686121   0.150514    52  LYS   A HZ1  
588  H HZ2  . LYS   A 40  ? 0.62212  0.596602 0.831557  -0.0188442  0.0715885   0.145218    52  LYS   A HZ2  
589  H HZ3  . LYS   A 40  ? 0.63089  0.652656 0.880154  -0.0483848  0.0866771   0.169047    52  LYS   A HZ3  
590  N N    . VAL   A 41  ? 0.446771 0.313416 0.638351  0.0411062   -0.0981689  0.10348     53  VAL   A N    
591  C CA   . VAL   A 41  ? 0.468745 0.294111 0.649525  0.061417    -0.114457   0.0726914   53  VAL   A CA   
592  C C    . VAL   A 41  ? 0.467368 0.301731 0.657146  0.0591136   -0.117556   0.0707454   53  VAL   A C    
593  O O    . VAL   A 41  ? 0.448288 0.324106 0.651042  0.0581791   -0.0996118  0.0645476   53  VAL   A O    
594  C CB   . VAL   A 41  ? 0.456992 0.287028 0.642391  0.0866876   -0.0760003  0.0467332   53  VAL   A CB   
595  C CG1  . VAL   A 41  ? 0.522063 0.29938  0.628622  0.114028    -0.0789255  0.0470468   53  VAL   A CG1  
596  C CG2  . VAL   A 41  ? 0.480984 0.279725 0.651784  0.0887269   -0.0669485  0.0456996   53  VAL   A CG2  
597  H H    . VAL   A 41  ? 0.439763 0.31396  0.62311   0.0331966   -0.0793812  0.105363    53  VAL   A H    
598  H HA   . VAL   A 41  ? 0.4733   0.29489  0.674416  0.0673247   -0.129348   0.0659108   53  VAL   A HA   
599  H HB   . VAL   A 41  ? 0.461241 0.291528 0.614689  0.0791637   -0.05945    0.0583834   53  VAL   A HB   
600  H HG11 . VAL   A 41  ? 0.519989 0.293638 0.652196  0.117183    -0.101139   0.0383991   53  VAL   A HG11 
601  H HG12 . VAL   A 41  ? 0.509158 0.292306 0.624869  0.103991    -0.0817325  0.0479309   53  VAL   A HG12 
602  H HG13 . VAL   A 41  ? 0.503532 0.290256 0.59895   0.120955    -0.0767688  0.0357533   53  VAL   A HG13 
603  H HG21 . VAL   A 41  ? 0.470569 0.273676 0.622145  0.100514    -0.0623085  0.0390265   53  VAL   A HG21 
604  H HG22 . VAL   A 41  ? 0.464035 0.294478 0.663204  0.0825614   -0.0570544  0.0477886   53  VAL   A HG22 
605  H HG23 . VAL   A 41  ? 0.483034 0.283227 0.673956  0.0970292   -0.0868805  0.0395701   53  VAL   A HG23 
606  N N    . TYR   A 42  ? 0.487542 0.276667 0.638941  0.0307154   -0.165976   0.0719632   54  TYR   A N    
607  C CA   . TYR   A 42  ? 0.498353 0.292787 0.69889   0.0380732   -0.178229   0.0675922   54  TYR   A CA   
608  C C    . TYR   A 42  ? 0.523709 0.262206 0.668098  0.0745678   -0.202357   0.0244862   54  TYR   A C    
609  O O    . TYR   A 42  ? 0.552922 0.348025 0.723206  0.0939668   -0.221413   -0.00599142 54  TYR   A O    
610  C CB   . TYR   A 42  ? 0.506244 0.325337 0.802312  0.0474361   -0.192203   0.0985808   54  TYR   A CB   
611  C CG   . TYR   A 42  ? 0.512096 0.396675 0.840243  -0.00876259 -0.164472   0.151635    54  TYR   A CG   
612  C CD1  . TYR   A 42  ? 0.501322 0.400026 0.81799   -0.0218008  -0.178485   0.164731    54  TYR   A CD1  
613  C CD2  . TYR   A 42  ? 0.54785  0.407459 0.874297  -0.0199327  -0.173538   0.17958     54  TYR   A CD2  
614  C CE1  . TYR   A 42  ? 0.497218 0.475009 0.864822  0.00349839  -0.165714   0.170263    54  TYR   A CE1  
615  C CE2  . TYR   A 42  ? 0.54186  0.496117 0.911055  -0.0377343  -0.160755   0.193589    54  TYR   A CE2  
616  C CZ   . TYR   A 42  ? 0.535058 0.501902 0.907614  -0.0351401  -0.14664    0.202762    54  TYR   A CZ   
617  O OH   . TYR   A 42  ? 0.49472  0.581924 0.993774  -0.0283545  -0.144776   0.200246    54  TYR   A OH   
618  H H    . TYR   A 42  ? 0.490506 0.282429 0.658918  0.050578    -0.178753   0.0567345   54  TYR   A H    
619  H HA   . TYR   A 42  ? 0.49289  0.298212 0.681796  0.0331676   -0.161867   0.083388    54  TYR   A HA   
620  H HB2  . TYR   A 42  ? 0.523794 0.322299 0.80975   0.0474463   -0.206785   0.0843505   54  TYR   A HB2  
621  H HB3  . TYR   A 42  ? 0.525248 0.31918  0.810046  0.0391835   -0.201249   0.108883    54  TYR   A HB3  
622  H HD1  . TYR   A 42  ? 0.497372 0.395515 0.798342  0.00778372  -0.176116   0.146633    54  TYR   A HD1  
623  H HD2  . TYR   A 42  ? 0.550027 0.414633 0.874587  -0.0192006  -0.176408   0.185337    54  TYR   A HD2  
624  H HE1  . TYR   A 42  ? 0.487897 0.470122 0.873496  -0.00550177 -0.161423   0.168566    54  TYR   A HE1  
625  H HE2  . TYR   A 42  ? 0.553163 0.50058  0.938823  -0.0557296  -0.158559   0.216434    54  TYR   A HE2  
626  H HH   . TYR   A 42  ? 0.253303 0.253303 0.253303  0           0           0           54  TYR   A HH   
627  N N    . VAL   A 43  ? 0.526047 0.284617 0.606173  0.0913914   -0.194863   -0.0102584  55  VAL   A N    
628  C CA   . VAL   A 43  ? 0.534709 0.320415 0.566526  0.112707    -0.21605    -0.0268813  55  VAL   A CA   
629  C C    . VAL   A 43  ? 0.562955 0.282169 0.564632  0.122115    -0.185187   -0.0402603  55  VAL   A C    
630  O O    . VAL   A 43  ? 0.555966 0.277007 0.536568  0.0939945   -0.194745   -0.0277497  55  VAL   A O    
631  C CB   . VAL   A 43  ? 0.536117 0.31699  0.503176  0.112275    -0.1866     -0.0509736  55  VAL   A CB   
632  C CG1  . VAL   A 43  ? 0.539673 0.343364 0.522621  0.105603    -0.185286   -0.0547554  55  VAL   A CG1  
633  C CG2  . VAL   A 43  ? 0.516022 0.29634  0.495062  0.108863    -0.18285    -0.0277999  55  VAL   A CG2  
634  H H    . VAL   A 43  ? 0.516988 0.295701 0.605758  0.0751173   -0.186404   0.0161093   55  VAL   A H    
635  H HA   . VAL   A 43  ? 0.556474 0.303616 0.579699  0.123166    -0.220011   -0.0496298  55  VAL   A HA   
636  H HB   . VAL   A 43  ? 0.541917 0.318301 0.502542  0.13148     -0.194178   -0.0578426  55  VAL   A HB   
637  H HG11 . VAL   A 43  ? 0.526937 0.337064 0.525642  0.0934755   -0.177596   -0.0433484  55  VAL   A HG11 
638  H HG12 . VAL   A 43  ? 0.548749 0.335256 0.531931  0.117147    -0.196393   -0.0650016  55  VAL   A HG12 
639  H HG13 . VAL   A 43  ? 0.526156 0.335979 0.480323  0.114809    -0.169239   -0.0575207  55  VAL   A HG13 
640  H HG21 . VAL   A 43  ? 0.503007 0.302261 0.457453  0.110194    -0.1619     -0.0326867  55  VAL   A HG21 
641  H HG22 . VAL   A 43  ? 0.523317 0.302896 0.500432  0.111909    -0.184326   -0.0241581  55  VAL   A HG22 
642  H HG23 . VAL   A 43  ? 0.510873 0.30751  0.504647  0.0908191   -0.173471   -0.0166544  55  VAL   A HG23 
643  N N    . HIS   A 44  ? 0.60718  0.308669 0.548249  0.151656    -0.209939   -0.0843068  56  HIS   A N    
644  C CA   . HIS   A 44  ? 0.578931 0.306922 0.573537  0.157491    -0.201649   -0.0889338  56  HIS   A CA   
645  C C    . HIS   A 44  ? 0.565925 0.318951 0.493825  0.177074    -0.194281   -0.0889572  56  HIS   A C    
646  O O    . HIS   A 44  ? 0.594562 0.382223 0.449922  0.177706    -0.224332   -0.123285   56  HIS   A O    
647  C CB   . HIS   A 44  ? 0.62061  0.319389 0.63043   0.166953    -0.246778   -0.100183   56  HIS   A CB   
648  C CG   . HIS   A 44  ? 0.676053 0.361688 0.727769  0.134481    -0.258564   -0.0414755  56  HIS   A CG   
649  N ND1  . HIS   A 44  ? 0.663686 0.39567  0.7575    0.12463     -0.246976   0.00602636  56  HIS   A ND1  
650  C CD2  . HIS   A 44  ? 0.720109 0.377064 0.785285  0.111724    -0.267441   -0.0328118  56  HIS   A CD2  
651  C CE1  . HIS   A 44  ? 0.713689 0.435411 0.832528  0.0793111   -0.253501   0.0480873   56  HIS   A CE1  
652  N NE2  . HIS   A 44  ? 0.754714 0.408234 0.837657  0.067385    -0.273872   0.0253249   56  HIS   A NE2  
653  H H    . HIS   A 44  ? 0.602683 0.301601 0.555108  0.160666    -0.217172   -0.0972937  56  HIS   A H    
654  H HA   . HIS   A 44  ? 0.577892 0.314302 0.5738    0.141586    -0.201546   -0.0625682  56  HIS   A HA   
655  H HB2  . HIS   A 44  ? 0.637171 0.323991 0.64324   0.173293    -0.257443   -0.112825   56  HIS   A HB2  
656  H HB3  . HIS   A 44  ? 0.630639 0.331861 0.632281  0.181751    -0.241334   -0.101118   56  HIS   A HB3  
657  H HD1  . HIS   A 44  ? 0.253303 0.253303 0.253303  0           0           0           56  HIS   A HD1  
658  H HD2  . HIS   A 44  ? 0.732715 0.375576 0.807776  0.114809    -0.284487   -0.046295   56  HIS   A HD2  
659  H HE1  . HIS   A 44  ? 0.715078 0.428081 0.840494  0.0697305   -0.254649   0.0642794   56  HIS   A HE1  
660  H HE2  . HIS   A 44  ? 0.253303 0.253303 0.253303  0           0           0           56  HIS   A HE2  
661  N N    . TYR   A 45  ? 0.560465 0.332961 0.428121  0.157891    -0.193703   -0.0478548  57  TYR   A N    
662  C CA   . TYR   A 45  ? 0.540796 0.364136 0.356541  0.183023    -0.150384   -0.0507446  57  TYR   A CA   
663  C C    . TYR   A 45  ? 0.528791 0.346754 0.41931   0.204614    -0.134244   -0.0612871  57  TYR   A C    
664  O O    . TYR   A 45  ? 0.550683 0.390547 0.482422  0.183735    -0.152838   -0.0134089  57  TYR   A O    
665  C CB   . TYR   A 45  ? 0.508183 0.341384 0.323414  0.160519    -0.104246   -0.031292   57  TYR   A CB   
666  C CG   . TYR   A 45  ? 0.482715 0.332602 0.308437  0.146979    -0.0724803  -0.00311602 57  TYR   A CG   
667  C CD1  . TYR   A 45  ? 0.474789 0.321588 0.344361  0.138157    -0.0379808  -0.00424124 57  TYR   A CD1  
668  C CD2  . TYR   A 45  ? 0.472936 0.336803 0.41714   0.129675    -0.0409938  0.0114047   57  TYR   A CD2  
669  C CE1  . TYR   A 45  ? 0.455515 0.310801 0.31847   0.133085    -0.0122626  0.0355527   57  TYR   A CE1  
670  C CE2  . TYR   A 45  ? 0.465064 0.347415 0.368958  0.0953679   -0.015059   0.0515785   57  TYR   A CE2  
671  C CZ   . TYR   A 45  ? 0.464378 0.340054 0.389846  0.0950855   -0.00191887 0.0612452   57  TYR   A CZ   
672  O OH   . TYR   A 45  ? 0.439922 0.399696 0.363581  0.0753458   0.025419    0.0558687   57  TYR   A OH   
673  H H    . TYR   A 45  ? 0.563478 0.334157 0.452897  0.157596    -0.191394   -0.0347201  57  TYR   A H    
674  H HA   . TYR   A 45  ? 0.549138 0.354955 0.356652  0.197672    -0.151302   -0.0711417  57  TYR   A HA   
675  H HB2  . TYR   A 45  ? 0.500876 0.348776 0.293081  0.172173    -0.0936666  -0.040573   57  TYR   A HB2  
676  H HB3  . TYR   A 45  ? 0.504454 0.333829 0.321792  0.156162    -0.10517    -0.034077   57  TYR   A HB3  
677  H HD1  . TYR   A 45  ? 0.477182 0.329145 0.319871  0.15904     -0.0396326  -0.0096664  57  TYR   A HD1  
678  H HD2  . TYR   A 45  ? 0.48185  0.325628 0.401743  0.122016    -0.0528277  0.0143196   57  TYR   A HD2  
679  H HE1  . TYR   A 45  ? 0.454975 0.335508 0.321628  0.127768    -0.00868708 0.0354804   57  TYR   A HE1  
680  H HE2  . TYR   A 45  ? 0.461766 0.347733 0.396709  0.0815523   -0.0128202  0.0625913   57  TYR   A HE2  
681  H HH   . TYR   A 45  ? 0.253303 0.253303 0.253303  0           0           0           57  TYR   A HH   
682  N N    . LYS   A 46  ? 0.539372 0.397365 0.371872  0.225421    -0.107037   -0.0873106  58  LYS   A N    
683  C CA   . LYS   A 46  ? 0.534411 0.413647 0.400436  0.222557    -0.0922307  -0.0725427  58  LYS   A CA   
684  C C    . LYS   A 46  ? 0.515378 0.433599 0.346476  0.2156      -0.054503   -0.0472408  58  LYS   A C    
685  O O    . LYS   A 46  ? 0.52748  0.507232 0.276248  0.200029    -0.0999001  -0.0653832  58  LYS   A O    
686  C CB   . LYS   A 46  ? 0.544105 0.4715   0.461033  0.248931    -0.0843407  -0.104675   58  LYS   A CB   
687  C CG   . LYS   A 46  ? 0.588642 0.481203 0.525818  0.235332    -0.106876   -0.0779896  58  LYS   A CG   
688  C CD   . LYS   A 46  ? 0.619925 0.532033 0.52998   0.248899    -0.143109   -0.100814   58  LYS   A CD   
689  C CE   . LYS   A 46  ? 0.634704 0.551201 0.535135  0.263383    -0.169137   -0.118843   58  LYS   A CE   
690  N NZ   . LYS   A 46  ? 0.665859 0.540347 0.542321  0.274001    -0.207905   -0.146671   58  LYS   A NZ   
691  H H    . LYS   A 46  ? 0.537813 0.389111 0.368957  0.230652    -0.107033   -0.094944   58  LYS   A H    
692  H HA   . LYS   A 46  ? 0.530315 0.419925 0.412256  0.211022    -0.0919762  -0.0531298  58  LYS   A HA   
693  H HB2  . LYS   A 46  ? 0.554456 0.475903 0.446776  0.257409    -0.0822726  -0.114778   58  LYS   A HB2  
694  H HB3  . LYS   A 46  ? 0.547174 0.482773 0.458695  0.25094     -0.0840926  -0.0896708  58  LYS   A HB3  
695  H HG2  . LYS   A 46  ? 0.581116 0.472495 0.528098  0.21914     -0.117122   -0.0668203  58  LYS   A HG2  
696  H HG3  . LYS   A 46  ? 0.595526 0.474068 0.517159  0.236358    -0.115311   -0.098962   58  LYS   A HG3  
697  H HD2  . LYS   A 46  ? 0.608315 0.546432 0.520097  0.258289    -0.130531   -0.094773   58  LYS   A HD2  
698  H HD3  . LYS   A 46  ? 0.6272   0.522276 0.572451  0.245028    -0.157488   -0.083004   58  LYS   A HD3  
699  H HE2  . LYS   A 46  ? 0.642951 0.524026 0.532088  0.25368     -0.181549   -0.129281   58  LYS   A HE2  
700  H HE3  . LYS   A 46  ? 0.62994  0.558403 0.490907  0.271739    -0.157214   -0.140068   58  LYS   A HE3  
701  H HZ1  . LYS   A 46  ? 0.676923 0.529402 0.589335  0.269703    -0.21846    -0.131464   58  LYS   A HZ1  
702  H HZ2  . LYS   A 46  ? 0.656742 0.562166 0.549242  0.285605    -0.195062   -0.138612   58  LYS   A HZ2  
703  H HZ3  . LYS   A 46  ? 0.688774 0.557013 0.558826  0.296521    -0.209319   -0.17495    58  LYS   A HZ3  
704  N N    . GLY   A 47  ? 0.51205  0.415475 0.273462  0.189846    -0.0303479  -0.0129224  59  GLY   A N    
705  C CA   . GLY   A 47  ? 0.476733 0.406488 0.198056  0.1739      0.00874576  0.0228536   59  GLY   A CA   
706  C C    . GLY   A 47  ? 0.478005 0.414362 0.218819  0.178149    -0.0195668  0.0361606   59  GLY   A C    
707  O O    . GLY   A 47  ? 0.483682 0.425516 0.22495   0.137823    -0.0488915  0.0665327   59  GLY   A O    
708  H H    . GLY   A 47  ? 0.511415 0.420286 0.301034  0.189619    -0.0384773  0.00099349  59  GLY   A H    
709  H HA2  . GLY   A 47  ? 0.48019  0.403753 0.188569  0.18285     0.00351827  0.0106279   59  GLY   A HA2  
710  H HA3  . GLY   A 47  ? 0.465653 0.39285  0.191349  0.158337    0.00626775  0.025117    59  GLY   A HA3  
711  N N    . LYS   A 48  ? 0.466577 0.436556 0.192542  0.182715    0.00457809  0.068437    60  LYS   A N    
712  C CA   . LYS   A 48  ? 0.470647 0.468176 0.211433  0.199945    -0.00647802 0.0663481   60  LYS   A CA   
713  C C    . LYS   A 48  ? 0.45421  0.481891 0.207409  0.187011    0.0190309   0.0485725   60  LYS   A C    
714  O O    . LYS   A 48  ? 0.488466 0.475647 0.170809  0.176314    0.0466694   0.0509408   60  LYS   A O    
715  C CB   . LYS   A 48  ? 0.486227 0.49758  0.258585  0.222153    -0.0113608  0.0468533   60  LYS   A CB   
716  C CG   . LYS   A 48  ? 0.531597 0.505139 0.25468   0.224892    -0.00798094 0.0346015   60  LYS   A CG   
717  C CD   . LYS   A 48  ? 0.572335 0.531759 0.333435  0.272598    -0.0259468  0.020132    60  LYS   A CD   
718  C CE   . LYS   A 48  ? 0.634931 0.579106 0.345074  0.289219    -0.0217502  -0.0332978  60  LYS   A CE   
719  N NZ   . LYS   A 48  ? 0.671942 0.648659 0.426059  0.308486    -0.00011995 -0.0440322  60  LYS   A NZ   
720  H H    . LYS   A 48  ? 0.4637   0.426272 0.17608   0.184065    0.00691131  0.0536737   60  LYS   A H    
721  H HA   . LYS   A 48  ? 0.466312 0.469061 0.218968  0.185155    -0.00920195 0.0788238   60  LYS   A HA   
722  H HB2  . LYS   A 48  ? 0.48971  0.521561 0.26204   0.221987    -0.0107203  0.0555029   60  LYS   A HB2  
723  H HB3  . LYS   A 48  ? 0.507248 0.487216 0.283294  0.229722    -0.0289309  0.0488062   60  LYS   A HB3  
724  H HG2  . LYS   A 48  ? 0.534659 0.481548 0.264707  0.234705    -0.0170973  0.0254454   60  LYS   A HG2  
725  H HG3  . LYS   A 48  ? 0.515864 0.508759 0.237997  0.221048    0.00488289  0.0360591   60  LYS   A HG3  
726  H HD2  . LYS   A 48  ? 0.568308 0.563443 0.32877   0.264752    -0.0153195  0.0207892   60  LYS   A HD2  
727  H HD3  . LYS   A 48  ? 0.589419 0.528015 0.356504  0.278473    -0.0389176  0.0106648   60  LYS   A HD3  
728  H HE2  . LYS   A 48  ? 0.639084 0.558362 0.358199  0.294793    -0.0278101  -0.0347454  60  LYS   A HE2  
729  H HE3  . LYS   A 48  ? 0.615463 0.581763 0.321902  0.274584    -0.00294424 -0.0188714  60  LYS   A HE3  
730  H HZ1  . LYS   A 48  ? 0.679588 0.645545 0.442957  0.326809    -0.0192658  -0.0537224  60  LYS   A HZ1  
731  H HZ2  . LYS   A 48  ? 0.655681 0.663843 0.408013  0.306823    0.0049951   -0.0347476  60  LYS   A HZ2  
732  H HZ3  . LYS   A 48  ? 0.678176 0.664514 0.41449   0.322116    0.00217477  -0.05998    60  LYS   A HZ3  
733  N N    . LEU   A 49  ? 0.464972 0.51624  0.172382  0.163311    0.0235103   0.0565177   61  LEU   A N    
734  C CA   . LEU   A 49  ? 0.488848 0.506058 0.262325  0.154955    0.0623532   0.0254623   61  LEU   A CA   
735  C C    . LEU   A 49  ? 0.547984 0.526043 0.343655  0.153012    0.130774    0.0007807   61  LEU   A C    
736  O O    . LEU   A 49  ? 0.602539 0.526639 0.372753  0.178657    0.16061     0.00283586  61  LEU   A O    
737  C CB   . LEU   A 49  ? 0.489765 0.531914 0.343212  0.131439    0.0621507   0.0213043   61  LEU   A CB   
738  C CG   . LEU   A 49  ? 0.534807 0.540251 0.352245  0.137792    0.00115119  0.00951771  61  LEU   A CG   
739  C CD1  . LEU   A 49  ? 0.566965 0.595537 0.457173  0.0991494   -0.00831692 -0.0345225  61  LEU   A CD1  
740  C CD2  . LEU   A 49  ? 0.534344 0.504336 0.315695  0.117548    0.0281784   0.00929448  61  LEU   A CD2  
741  H H    . LEU   A 49  ? 0.467048 0.50879  0.209533  0.169834    0.0144256   0.065865    61  LEU   A H    
742  H HA   . LEU   A 49  ? 0.481412 0.490377 0.239582  0.138601    0.0738989   0.0276215   61  LEU   A HA   
743  H HB2  . LEU   A 49  ? 0.503374 0.557027 0.3497    0.153448    0.0435512   0.0220974   61  LEU   A HB2  
744  H HB3  . LEU   A 49  ? 0.492344 0.549075 0.32101   0.128034    0.0634042   0.0223086   61  LEU   A HB3  
745  H HG   . LEU   A 49  ? 0.53588  0.534382 0.375435  0.135841    0.00144526  0.00982761  61  LEU   A HG   
746  H HD11 . LEU   A 49  ? 0.56434  0.618624 0.448408  0.115485    -0.013275   -0.0131564  61  LEU   A HD11 
747  H HD12 . LEU   A 49  ? 0.557078 0.590242 0.434588  0.0902378   -0.0137875  -0.00934994 61  LEU   A HD12 
748  H HD13 . LEU   A 49  ? 0.553245 0.606516 0.419821  0.0998156   0.00497839  -0.0216896  61  LEU   A HD13 
749  H HD21 . LEU   A 49  ? 0.534595 0.484108 0.317624  0.127174    0.0207549   0.00529858  61  LEU   A HD21 
750  H HD22 . LEU   A 49  ? 0.530063 0.507387 0.308837  0.112463    0.0345503   0.00516052  61  LEU   A HD22 
751  H HD23 . LEU   A 49  ? 0.530729 0.507033 0.313191  0.102211    0.0219934   0.0134983   61  LEU   A HD23 
752  N N    . SER   A 50  ? 0.589916 0.513071 0.317646  0.124046    0.149117    -0.00791087 62  SER   A N    
753  C CA   . SER   A 50  ? 0.625764 0.575827 0.391425  0.115407    0.187287    -0.0144063  62  SER   A CA   
754  C C    . SER   A 50  ? 0.62577  0.623583 0.492099  0.145809    0.170872    0.0239924   62  SER   A C    
755  O O    . SER   A 50  ? 0.714181 0.596008 0.605202  0.177103    0.204215    0.0208282   62  SER   A O    
756  C CB   . SER   A 50  ? 0.639237 0.566179 0.427582  0.0830986   0.195751    -0.0260736  62  SER   A CB   
757  O OG   . SER   A 50  ? 0.669837 0.65628  0.549968  -0.0226744  0.241366    -0.0170932  62  SER   A OG   
758  H H    . SER   A 50  ? 0.574375 0.503993 0.316928  0.108412    0.159601    -0.00213472 62  SER   A H    
759  H HA   . SER   A 50  ? 0.634028 0.554579 0.401292  0.137408    0.169372    -0.021682   62  SER   A HA   
760  H HB2  . SER   A 50  ? 0.655202 0.611577 0.438001  0.0843122   0.211761    -0.0279898  62  SER   A HB2  
761  H HB3  . SER   A 50  ? 0.634194 0.551331 0.421593  0.0642367   0.20139     -0.0210725  62  SER   A HB3  
762  H HG   . SER   A 50  ? 0.253303 0.253303 0.253303  0           0           0           62  SER   A HG   
763  N N    . ASN   A 51  ? 0.579322 0.640756 0.608905  0.156416    0.122975    -0.00150132 63  ASN   A N    
764  C CA   . ASN   A 51  ? 0.584766 0.677752 0.681753  0.180525    0.102515    0.0254919   63  ASN   A CA   
765  C C    . ASN   A 51  ? 0.56909  0.68043  0.746392  0.220917    0.148886    0.00614841  63  ASN   A C    
766  O O    . ASN   A 51  ? 0.605629 0.795568 0.799324  0.236185    0.189653    0.0298088   63  ASN   A O    
767  C CB   . ASN   A 51  ? 0.52927  0.652886 0.569564  0.181933    0.0698033   0.0315293   63  ASN   A CB   
768  H H    . ASN   A 51  ? 0.577463 0.618992 0.568564  0.130791    0.133013    0.0212013   63  ASN   A H    
769  H HA   . ASN   A 51  ? 0.57835  0.715179 0.661919  0.191033    0.119626    0.0147839   63  ASN   A HA   
770  H HB2  . ASN   A 51  ? 0.253303 0.253303 0.253303  0           0           0           63  ASN   A HB2  
771  H HB3  . ASN   A 51  ? 0.253303 0.253303 0.253303  0           0           0           63  ASN   A HB3  
772  N N    . GLY   A 52  ? 0.627236 0.646936 0.772295  0.194675    0.149453    0.0389642   64  GLY   A N    
773  C CA   . GLY   A 52  ? 0.678424 0.629145 0.748668  0.200625    0.130248    0.00539207  64  GLY   A CA   
774  C C    . GLY   A 52  ? 0.792207 0.615996 0.72023   0.137967    0.0992363   0.0134044   64  GLY   A C    
775  O O    . GLY   A 52  ? 0.86188  0.539207 0.75527   0.162909    0.12634     -0.085141   64  GLY   A O    
776  H H    . GLY   A 52  ? 0.615761 0.614747 0.719741  0.173955    0.142602    0.0305943   64  GLY   A H    
777  H HA2  . GLY   A 52  ? 0.699534 0.606059 0.74135   0.202322    0.119758    -0.00081959 64  GLY   A HA2  
778  H HA3  . GLY   A 52  ? 0.699104 0.663333 0.775999  0.22121     0.130518    -0.00215809 64  GLY   A HA3  
779  N N    . LYS   A 53  ? 0.749843 0.600229 0.673472  0.0910175   0.0770949   0.0397272   65  LYS   A N    
780  C CA   . LYS   A 53  ? 0.74721  0.685848 0.656679  0.0696503   0.0219971   0.0562716   65  LYS   A CA   
781  C C    . LYS   A 53  ? 0.674527 0.701403 0.605812  0.119261    -0.0486785  0.0439102   65  LYS   A C    
782  O O    . LYS   A 53  ? 0.576762 0.688542 0.628636  0.0499894   -0.104747   0.0321222   65  LYS   A O    
783  C CB   . LYS   A 53  ? 0.739124 0.667392 0.600253  0.0728      0.0351852   0.0832133   65  LYS   A CB   
784  H H    . LYS   A 53  ? 0.741628 0.59957  0.642596  0.0825084   0.0860788   0.0386344   65  LYS   A H    
785  H HA   . LYS   A 53  ? 0.751469 0.707804 0.681836  0.102573    0.00982346  0.0553501   65  LYS   A HA   
786  H HB2  . LYS   A 53  ? 0.253303 0.253303 0.253303  0           0           0           65  LYS   A HB2  
787  H HB3  . LYS   A 53  ? 0.253303 0.253303 0.253303  0           0           0           65  LYS   A HB3  
788  N N    . LYS   A 54  ? 0.583703 0.637397 0.489177  0.126999    -0.0680885  0.0543612   66  LYS   A N    
789  C CA   . LYS   A 54  ? 0.594627 0.571018 0.356222  0.111514    -0.104076   0.0950494   66  LYS   A CA   
790  C C    . LYS   A 54  ? 0.630758 0.529978 0.354738  0.132788    -0.126977   0.122762    66  LYS   A C    
791  O O    . LYS   A 54  ? 0.705256 0.623501 0.245897  0.223754    -0.0749517  0.0805822   66  LYS   A O    
792  C CB   . LYS   A 54  ? 0.518515 0.554667 0.308983  0.0416031   -0.0464587  0.076725    66  LYS   A CB   
793  H H    . LYS   A 54  ? 0.592762 0.628343 0.446718  0.116255    -0.0542627  0.0434804   66  LYS   A H    
794  H HA   . LYS   A 54  ? 0.59567  0.58117  0.39966   0.111358    -0.111703   0.110934    66  LYS   A HA   
795  H HB2  . LYS   A 54  ? 0.253303 0.253303 0.253303  0           0           0           66  LYS   A HB2  
796  H HB3  . LYS   A 54  ? 0.253303 0.253303 0.253303  0           0           0           66  LYS   A HB3  
797  N N    . PHE   A 55  ? 0.573605 0.530567 0.312594  0.116734    -0.10762    0.129392    67  PHE   A N    
798  C CA   . PHE   A 55  ? 0.574538 0.477703 0.330254  0.166775    -0.108517   0.0671483   67  PHE   A CA   
799  C C    . PHE   A 55  ? 0.543061 0.427008 0.338016  0.142881    -0.111673   0.0604449   67  PHE   A C    
800  O O    . PHE   A 55  ? 0.573028 0.485741 0.350834  0.126604    -0.0745357  0.0987273   67  PHE   A O    
801  C CB   . PHE   A 55  ? 0.62398  0.474919 0.423455  0.196248    -0.148915   0.0433106   67  PHE   A CB   
802  C CG   . PHE   A 55  ? 0.674939 0.475417 0.520216  0.203768    -0.160444   -0.0290331  67  PHE   A CG   
803  C CD1  . PHE   A 55  ? 0.69566  0.48607  0.584293  0.188373    -0.179549   -0.0706027  67  PHE   A CD1  
804  C CD2  . PHE   A 55  ? 0.722731 0.497459 0.514444  0.196632    -0.139288   -0.0774692  67  PHE   A CD2  
805  C CE1  . PHE   A 55  ? 0.717444 0.50084  0.604596  0.195525    -0.202944   -0.0842593  67  PHE   A CE1  
806  C CE2  . PHE   A 55  ? 0.703526 0.514227 0.539037  0.238923    -0.175991   -0.0820929  67  PHE   A CE2  
807  C CZ   . PHE   A 55  ? 0.733376 0.473076 0.600657  0.226019    -0.188493   -0.123207   67  PHE   A CZ   
808  H H    . PHE   A 55  ? 0.589815 0.529327 0.340052  0.128112    -0.127408   0.138546    67  PHE   A H    
809  H HA   . PHE   A 55  ? 0.562918 0.461695 0.310608  0.159952    -0.0997401  0.0547634   67  PHE   A HA   
810  H HB2  . PHE   A 55  ? 0.622442 0.509597 0.428245  0.206584    -0.13536    0.0306817   67  PHE   A HB2  
811  H HB3  . PHE   A 55  ? 0.63645  0.483381 0.455718  0.195322    -0.159288   0.058671    67  PHE   A HB3  
812  H HD1  . PHE   A 55  ? 0.697602 0.481219 0.597189  0.175756    -0.192386   -0.0365357  67  PHE   A HD1  
813  H HD2  . PHE   A 55  ? 0.687632 0.520991 0.491496  0.20859     -0.132322   -0.0693979  67  PHE   A HD2  
814  H HE1  . PHE   A 55  ? 0.736143 0.467379 0.638121  0.197217    -0.214633   -0.0838467  67  PHE   A HE1  
815  H HE2  . PHE   A 55  ? 0.718709 0.517567 0.52836   0.243539    -0.157041   -0.113585   67  PHE   A HE2  
816  H HZ   . PHE   A 55  ? 0.743451 0.479345 0.606346  0.23743     -0.198542   -0.128268   67  PHE   A HZ   
817  N N    . ASP   A 56  ? 0.517298 0.395881 0.293965  0.135483    -0.0751781  0.00238551  68  ASP   A N    
818  C CA   . ASP   A 56  ? 0.506943 0.382221 0.33998   0.106572    -0.0814484  0.0307367   68  ASP   A CA   
819  C C    . ASP   A 56  ? 0.529727 0.384889 0.393447  0.115095    -0.0799194  -0.00467856 68  ASP   A C    
820  O O    . ASP   A 56  ? 0.528705 0.411621 0.392153  0.115753    -0.109561   0.010945    68  ASP   A O    
821  C CB   . ASP   A 56  ? 0.490926 0.3913   0.262616  0.0878126   -0.0383725  0.0421559   68  ASP   A CB   
822  C CG   . ASP   A 56  ? 0.493355 0.366954 0.289496  0.0843069   -0.0409202  0.0604389   68  ASP   A CG   
823  O OD1  . ASP   A 56  ? 0.535998 0.396189 0.340343  0.0683969   0.0200925   0.101522    68  ASP   A OD1  
824  O OD2  . ASP   A 56  ? 0.465979 0.355037 0.261692  0.0735851   -0.0407876  0.0373082   68  ASP   A OD2  
825  H H    . ASP   A 56  ? 0.515699 0.388455 0.282711  0.144431    -0.0756422  -0.00159604 68  ASP   A H    
826  H HA   . ASP   A 56  ? 0.525021 0.398014 0.353983  0.104941    -0.0869962  0.0440079   68  ASP   A HA   
827  H HB2  . ASP   A 56  ? 0.484039 0.405773 0.265069  0.0810329   -0.0396419  0.0526701   68  ASP   A HB2  
828  H HB3  . ASP   A 56  ? 0.478381 0.376887 0.250688  0.0955483   -0.0329326  0.0275687   68  ASP   A HB3  
829  N N    . SER   A 57  ? 0.542206 0.375189 0.510651  0.0736302   -0.086772   -0.0310935  69  SER   A N    
830  C CA   . SER   A 57  ? 0.542041 0.42011  0.562007  0.0854897   -0.0856416  -0.0587342  69  SER   A CA   
831  C C    . SER   A 57  ? 0.555032 0.412953 0.594746  0.0808575   -0.0823299  0.00654844  69  SER   A C    
832  O O    . SER   A 57  ? 0.56526  0.405088 0.629873  0.0458191   -0.0296828  0.0879619   69  SER   A O    
833  C CB   . SER   A 57  ? 0.615037 0.485325 0.683427  0.0912573   -0.0882567  -0.138141   69  SER   A CB   
834  O OG   . SER   A 57  ? 0.673627 0.598712 0.723995  0.0445314   -0.0813911  -0.213111   69  SER   A OG   
835  H H    . SER   A 57  ? 0.544413 0.398945 0.516176  0.0707107   -0.0902574  -0.00428494 69  SER   A H    
836  H HA   . SER   A 57  ? 0.541495 0.404714 0.539342  0.0904547   -0.0747601  -0.0736232  69  SER   A HA   
837  H HB2  . SER   A 57  ? 0.611398 0.50667  0.655448  0.104486    -0.0846708  -0.145915   69  SER   A HB2  
838  H HB3  . SER   A 57  ? 0.626318 0.503897 0.702527  0.0828148   -0.10107    -0.113843   69  SER   A HB3  
839  H HG   . SER   A 57  ? 0.253303 0.253303 0.253303  0           0           0           69  SER   A HG   
840  N N    . SER   A 58  ? 0.549112 0.407925 0.571606  0.0814989   -0.0973648  0.00899354  70  SER   A N    
841  C CA   . SER   A 58  ? 0.554075 0.428964 0.628735  0.0745802   -0.125817   0.0480014   70  SER   A CA   
842  C C    . SER   A 58  ? 0.624488 0.446733 0.717594  0.0600453   -0.172454   0.064109    70  SER   A C    
843  O O    . SER   A 58  ? 0.697094 0.55984  0.739989  0.0483834   -0.157666   0.142959    70  SER   A O    
844  C CB   . SER   A 58  ? 0.559268 0.455616 0.543485  0.0634995   -0.137292   0.0547502   70  SER   A CB   
845  O OG   . SER   A 58  ? 0.568114 0.432872 0.538895  0.122232    -0.182577   0.0133086   70  SER   A OG   
846  H H    . SER   A 58  ? 0.538486 0.401606 0.55424   0.0921482   -0.0901581  -0.00750533 70  SER   A H    
847  H HA   . SER   A 58  ? 0.555382 0.448172 0.611967  0.0479795   -0.119081   0.0724059   70  SER   A HA   
848  H HB2  . SER   A 58  ? 0.558175 0.444678 0.583273  0.0566895   -0.146493   0.0602785   70  SER   A HB2  
849  H HB3  . SER   A 58  ? 0.530981 0.450965 0.51454   0.0677753   -0.122181   0.0455453   70  SER   A HB3  
850  H HG   . SER   A 58  ? 0.253303 0.253303 0.253303  0           0           0           70  SER   A HG   
851  N N    . HIS   A 59  ? 0.646638 0.429283 0.721642  0.129724    -0.23421    0.0220789   71  HIS   A N    
852  C CA   . HIS   A 59  ? 0.77093  0.476434 0.810549  0.162328    -0.261122   0.0200722   71  HIS   A CA   
853  C C    . HIS   A 59  ? 0.841321 0.509524 0.790805  0.128103    -0.27762    0.0807648   71  HIS   A C    
854  O O    . HIS   A 59  ? 0.950337 0.549904 0.826817  0.0856161   -0.268434   0.083479    71  HIS   A O    
855  C CB   . HIS   A 59  ? 0.818905 0.5192   0.835062  0.206988    -0.281085   -0.0556496  71  HIS   A CB   
856  C CG   . HIS   A 59  ? 0.858533 0.583955 0.855207  0.218836    -0.300322   -0.101557   71  HIS   A CG   
857  N ND1  . HIS   A 59  ? 0.899652 0.656532 0.819057  0.199308    -0.240001   -0.12626    71  HIS   A ND1  
858  C CD2  . HIS   A 59  ? 0.878539 0.627993 0.962623  0.18037     -0.298328   -0.108229   71  HIS   A CD2  
859  C CE1  . HIS   A 59  ? 0.904511 0.665437 0.855944  0.203498    -0.254605   -0.16448    71  HIS   A CE1  
860  N NE2  . HIS   A 59  ? 0.905009 0.651955 0.917759  0.181024    -0.277816   -0.140279   71  HIS   A NE2  
861  H H    . HIS   A 59  ? 0.648761 0.440494 0.696162  0.138448    -0.211016   0.00516525  71  HIS   A H    
862  H HA   . HIS   A 59  ? 0.780262 0.467074 0.831549  0.142314    -0.275472   0.0250787   71  HIS   A HA   
863  H HB2  . HIS   A 59  ? 0.802506 0.53274  0.80216   0.216625    -0.266267   -0.0575994  71  HIS   A HB2  
864  H HB3  . HIS   A 59  ? 0.849616 0.523758 0.893067  0.216568    -0.301857   -0.0500622  71  HIS   A HB3  
865  H HD1  . HIS   A 59  ? 0.253303 0.253303 0.253303  0           0           0           71  HIS   A HD1  
866  H HD2  . HIS   A 59  ? 0.901549 0.615744 0.987072  0.171399    -0.314826   -0.0915372  71  HIS   A HD2  
867  H HE1  . HIS   A 59  ? 0.897013 0.666519 0.826609  0.21193     -0.246465   -0.17952    71  HIS   A HE1  
868  H HE2  . HIS   A 59  ? 0.253303 0.253303 0.253303  0           0           0           71  HIS   A HE2  
869  N N    . ASP   A 60  ? 0.856703 0.583927 0.737976  0.082945    -0.281034   0.130928    72  ASP   A N    
870  C CA   . ASP   A 60  ? 0.915405 0.622408 0.751418  0.0618187   -0.289738   0.210059    72  ASP   A CA   
871  C C    . ASP   A 60  ? 0.931542 0.635661 0.724572  0.0509375   -0.299492   0.31575     72  ASP   A C    
872  O O    . ASP   A 60  ? 1.03997  0.76807  0.780863  0.0721202   -0.360612   0.400001    72  ASP   A O    
873  C CB   . ASP   A 60  ? 0.840852 0.62696  0.740352  0.0629968   -0.300084   0.194993    72  ASP   A CB   
874  H H    . ASP   A 60  ? 0.824048 0.570797 0.690867  0.0964155   -0.255774   0.112866    72  ASP   A H    
875  H HA   . ASP   A 60  ? 0.925476 0.621136 0.805305  0.0830403   -0.315803   0.209573    72  ASP   A HA   
876  H HB2  . ASP   A 60  ? 0.253303 0.253303 0.253303  0           0           0           72  ASP   A HB2  
877  H HB3  . ASP   A 60  ? 0.253303 0.253303 0.253303  0           0           0           72  ASP   A HB3  
878  N N    . ARG   A 61  ? 0.882971 0.64442  0.650082  0.0146479   -0.268426   0.300511    73  ARG   A N    
879  C CA   . ARG   A 61  ? 0.884058 0.656385 0.720144  -0.0243082  -0.248448   0.292009    73  ARG   A CA   
880  C C    . ARG   A 61  ? 0.922861 0.590801 0.795155  -0.0250572  -0.259774   0.268914    73  ARG   A C    
881  O O    . ARG   A 61  ? 1.01483  0.651947 0.749833  -0.0772936  -0.229023   0.312779    73  ARG   A O    
882  C CB   . ARG   A 61  ? 0.824231 0.656772 0.653692  -0.0416761  -0.182598   0.286154    73  ARG   A CB   
883  H H    . ARG   A 61  ? 0.864362 0.614444 0.63436   0.0260441   -0.256187   0.277874    73  ARG   A H    
884  H HA   . ARG   A 61  ? 0.906097 0.667477 0.748059  -0.0285694  -0.253339   0.322417    73  ARG   A HA   
885  H HB2  . ARG   A 61  ? 0.253303 0.253303 0.253303  0           0           0           73  ARG   A HB2  
886  H HB3  . ARG   A 61  ? 0.253303 0.253303 0.253303  0           0           0           73  ARG   A HB3  
887  N N    . ASN   A 62  ? 0.905226 0.52106  0.837508  0.0189268   -0.26405    0.202518    74  ASN   A N    
888  C CA   . ASN   A 62  ? 0.923209 0.459527 0.902993  0.0295272   -0.300684   0.186819    74  ASN   A CA   
889  C C    . ASN   A 62  ? 0.884543 0.435075 0.876844  0.00975756  -0.30681    0.208963    74  ASN   A C    
890  O O    . ASN   A 62  ? 0.882134 0.53053  0.860359  -0.00939666 -0.342325   0.169369    74  ASN   A O    
891  C CB   . ASN   A 62  ? 0.975449 0.456915 1.02926   0.0110787   -0.310427   0.205371    74  ASN   A CB   
892  H H    . ASN   A 62  ? 0.896152 0.51698  0.80156   0.036889    -0.263333   0.191604    74  ASN   A H    
893  H HA   . ASN   A 62  ? 0.920144 0.446604 0.897172  0.0494606   -0.300563   0.157613    74  ASN   A HA   
894  H HB2  . ASN   A 62  ? 0.253303 0.253303 0.253303  0           0           0           74  ASN   A HB2  
895  H HB3  . ASN   A 62  ? 0.253303 0.253303 0.253303  0           0           0           74  ASN   A HB3  
896  N N    . GLU   A 63  ? 0.842157 0.452309 0.80064   0.0465673   -0.282057   0.22071     75  GLU   A N    
897  C CA   . GLU   A 63  ? 0.841551 0.430606 0.801373  0.0241674   -0.261989   0.250676    75  GLU   A CA   
898  C C    . GLU   A 63  ? 0.744936 0.369764 0.781378  0.0248124   -0.25757    0.173295    75  GLU   A C    
899  O O    . GLU   A 63  ? 0.729981 0.317203 0.778091  0.00578019  -0.221271   0.146675    75  GLU   A O    
900  C CB   . GLU   A 63  ? 0.899946 0.518584 0.823824  -0.00067155 -0.212112   0.299802    75  GLU   A CB   
901  C CG   . GLU   A 63  ? 0.951401 0.605156 0.780215  0.00475262  -0.161158   0.316749    75  GLU   A CG   
902  C CD   . GLU   A 63  ? 0.998132 0.731779 0.808105  0.0207683   -0.107213   0.348507    75  GLU   A CD   
903  O OE1  . GLU   A 63  ? 0.98742  0.781284 0.80358   0.0738063   -0.0729012  0.354652    75  GLU   A OE1  
904  O OE2  . GLU   A 63  ? 1.14227  0.769624 0.799792  -0.040418   -0.0924154  0.438541    75  GLU   A OE2  
905  H H    . GLU   A 63  ? 0.83032  0.446604 0.759569  0.0489807   -0.263665   0.214293    75  GLU   A H    
906  H HA   . GLU   A 63  ? 0.852355 0.424547 0.859484  0.0253653   -0.279156   0.228147    75  GLU   A HA   
907  H HB2  . GLU   A 63  ? 0.8845   0.516844 0.824047  -0.0142472  -0.209579   0.295096    75  GLU   A HB2  
908  H HB3  . GLU   A 63  ? 0.923458 0.524488 0.87868   -0.011149   -0.234244   0.319474    75  GLU   A HB3  
909  H HG2  . GLU   A 63  ? 0.957946 0.604981 0.793701  0.0142024   -0.1691     0.325406    75  GLU   A HG2  
910  H HG3  . GLU   A 63  ? 0.910991 0.583197 0.734975  0.0255283   -0.149362   0.289312    75  GLU   A HG3  
911  N N    . PRO   A 64  ? 0.698656 0.353146 0.776183  0.0252028   -0.236873   0.12564     76  PRO   A N    
912  C CA   . PRO   A 64  ? 0.633137 0.338334 0.723704  0.0469559   -0.225342   0.0831713   76  PRO   A CA   
913  C C    . PRO   A 64  ? 0.601518 0.365496 0.673653  0.0340015   -0.156524   0.0926519   76  PRO   A C    
914  O O    . PRO   A 64  ? 0.617964 0.389227 0.661703  0.0553776   -0.143858   0.151151    76  PRO   A O    
915  C CB   . PRO   A 64  ? 0.650259 0.363303 0.725052  0.0419464   -0.259589   0.0782339   76  PRO   A CB   
916  C CG   . PRO   A 64  ? 0.676841 0.37558  0.824447  0.0103705   -0.275424   0.0971496   76  PRO   A CG   
917  C CD   . PRO   A 64  ? 0.699017 0.341791 0.832975  0.00070095  -0.262593   0.150453    76  PRO   A CD   
918  H HA   . PRO   A 64  ? 0.645395 0.333595 0.705591  0.0661683   -0.226373   0.068509    76  PRO   A HA   
919  H HB2  . PRO   A 64  ? 0.626556 0.370877 0.718637  0.0237259   -0.232908   0.0875412   76  PRO   A HB2  
920  H HB3  . PRO   A 64  ? 0.641492 0.345697 0.71525   0.0541827   -0.254062   0.056612    76  PRO   A HB3  
921  H HG2  . PRO   A 64  ? 0.676548 0.373412 0.839042  -0.00113297 -0.273322   0.109789    76  PRO   A HG2  
922  H HG3  . PRO   A 64  ? 0.698035 0.350739 0.841929  0.0295944   -0.294375   0.0831542   76  PRO   A HG3  
923  H HD2  . PRO   A 64  ? 0.697744 0.374766 0.844257  -0.0195598  -0.251872   0.166276    76  PRO   A HD2  
924  H HD3  . PRO   A 64  ? 0.731005 0.344978 0.885717  0.00536915  -0.28643    0.143279    76  PRO   A HD3  
925  N N    . PHE   A 65  ? 0.549376 0.293786 0.642816  0.063436    -0.132776   0.0815607   77  PHE   A N    
926  C CA   . PHE   A 65  ? 0.493942 0.313408 0.570016  0.0461639   -0.0723397  0.0803652   77  PHE   A CA   
927  C C    . PHE   A 65  ? 0.479393 0.300388 0.60667   0.0334277   -0.0801739  0.0900759   77  PHE   A C    
928  O O    . PHE   A 65  ? 0.513704 0.300655 0.589869  0.0720566   -0.071819   0.0544846   77  PHE   A O    
929  C CB   . PHE   A 65  ? 0.461238 0.277616 0.493865  0.0650288   -0.0614363  0.0769483   77  PHE   A CB   
930  C CG   . PHE   A 65  ? 0.430501 0.31142  0.449738  0.0535193   -0.0171953  0.0614302   77  PHE   A CG   
931  C CD1  . PHE   A 65  ? 0.480612 0.355528 0.437219  0.040339    -0.0387272  0.123484    77  PHE   A CD1  
932  C CD2  . PHE   A 65  ? 0.431837 0.301814 0.419423  0.0312558   -0.00640075 0.064231    77  PHE   A CD2  
933  C CE1  . PHE   A 65  ? 0.497357 0.366075 0.391377  0.0196167   -0.0258852  0.124151    77  PHE   A CE1  
934  C CE2  . PHE   A 65  ? 0.427844 0.297881 0.408042  0.0248118   0.0112847   0.0498983   77  PHE   A CE2  
935  C CZ   . PHE   A 65  ? 0.435909 0.318024 0.382551  0.0238381   0.0134092   0.0838022   77  PHE   A CZ   
936  H H    . PHE   A 65  ? 0.554155 0.296401 0.634233  0.0759915   -0.137939   0.0612126   77  PHE   A H    
937  H HA   . PHE   A 65  ? 0.498127 0.324791 0.582499  0.0308523   -0.0749501  0.108074    77  PHE   A HA   
938  H HB2  . PHE   A 65  ? 0.468799 0.290103 0.504638  0.0698162   -0.0653291  0.079721    77  PHE   A HB2  
939  H HB3  . PHE   A 65  ? 0.462669 0.272765 0.49013   0.0796952   -0.0638263  0.0548061   77  PHE   A HB3  
940  H HD1  . PHE   A 65  ? 0.485562 0.356834 0.455375  0.0310991   -0.0418555  0.132073    77  PHE   A HD1  
941  H HD2  . PHE   A 65  ? 0.433535 0.284038 0.431055  0.0504453   -0.0184159  0.0457893   77  PHE   A HD2  
942  H HE1  . PHE   A 65  ? 0.478009 0.38017  0.385774  0.0094599   -0.00940545 0.127398    77  PHE   A HE1  
943  H HE2  . PHE   A 65  ? 0.420561 0.295884 0.389262  0.0335881   0.0171375   0.0429166   77  PHE   A HE2  
944  H HZ   . PHE   A 65  ? 0.436184 0.333202 0.364565  0.0159771   0.0253855   0.076377    77  PHE   A HZ   
945  N N    . VAL   A 66  ? 0.446105 0.318902 0.612032  0.0270471   -0.0611278  0.108252    78  VAL   A N    
946  C CA   . VAL   A 66  ? 0.458434 0.328736 0.624816  0.0157237   -0.0519575  0.107344    78  VAL   A CA   
947  C C    . VAL   A 66  ? 0.433695 0.336124 0.535562  0.0344777   -0.0380036  0.116629    78  VAL   A C    
948  O O    . VAL   A 66  ? 0.477333 0.431354 0.465042  0.0266268   -0.0281922  0.135695    78  VAL   A O    
949  C CB   . VAL   A 66  ? 0.475796 0.387424 0.690375  -0.0235416  -0.0469757  0.130534    78  VAL   A CB   
950  C CG1  . VAL   A 66  ? 0.465335 0.412725 0.699216  -0.037436   0.00152505  0.128405    78  VAL   A CG1  
951  C CG2  . VAL   A 66  ? 0.492612 0.366492 0.764603  -0.0311483  -0.0884977  0.144868    78  VAL   A CG2  
952  H H    . VAL   A 66  ? 0.456802 0.337681 0.601045  0.0128531   -0.051363   0.121085    78  VAL   A H    
953  H HA   . VAL   A 66  ? 0.454269 0.313692 0.624952  0.0315046   -0.0645312  0.0951925   78  VAL   A HA   
954  H HB   . VAL   A 66  ? 0.475094 0.404338 0.685136  -0.0365412  -0.0316211  0.148053    78  VAL   A HB   
955  H HG11 . VAL   A 66  ? 0.461552 0.388356 0.702749  -0.0210526  -0.0202548  0.111083    78  VAL   A HG11 
956  H HG12 . VAL   A 66  ? 0.453119 0.423874 0.679216  -0.0365926  0.0111406   0.124107    78  VAL   A HG12 
957  H HG13 . VAL   A 66  ? 0.471691 0.427013 0.741272  -0.0518338  -0.0136145  0.142497    78  VAL   A HG13 
958  H HG21 . VAL   A 66  ? 0.502981 0.388141 0.79679   -0.0458507  -0.0880969  0.158438    78  VAL   A HG21 
959  H HG22 . VAL   A 66  ? 0.502945 0.364799 0.75468   -0.0271404  -0.0912519  0.151571    78  VAL   A HG22 
960  H HG23 . VAL   A 66  ? 0.495531 0.348072 0.763614  -0.0148354  -0.0985007  0.126161    78  VAL   A HG23 
961  N N    . PHE   A 67  ? 0.419779 0.327195 0.488595  0.0530391   -0.0407608  0.0981193   79  PHE   A N    
962  C CA   . PHE   A 67  ? 0.40369  0.327237 0.476562  0.0375986   -0.0183037  0.0969411   79  PHE   A CA   
963  C C    . PHE   A 67  ? 0.412674 0.324756 0.502326  0.0444927   -0.0235076  0.0957714   79  PHE   A C    
964  O O    . PHE   A 67  ? 0.456357 0.304104 0.532758  0.0647385   -0.0230633  0.0923387   79  PHE   A O    
965  C CB   . PHE   A 67  ? 0.378057 0.324947 0.452784  0.0419169   -0.0221522  0.0653677   79  PHE   A CB   
966  C CG   . PHE   A 67  ? 0.371671 0.324174 0.446424  0.0506884   -0.0140092  0.0355725   79  PHE   A CG   
967  C CD1  . PHE   A 67  ? 0.406826 0.31013  0.458322  0.0810503   -0.00842147 0.0508601   79  PHE   A CD1  
968  C CD2  . PHE   A 67  ? 0.364952 0.357915 0.431702  0.0389973   -0.01118    0.0307263   79  PHE   A CD2  
969  C CE1  . PHE   A 67  ? 0.425507 0.317312 0.432413  0.095002    -0.00122216 -0.00635673 79  PHE   A CE1  
970  C CE2  . PHE   A 67  ? 0.341068 0.318235 0.390804  0.0787006   -0.0378868  0.0180069   79  PHE   A CE2  
971  C CZ   . PHE   A 67  ? 0.362698 0.322618 0.381105  0.112983    -0.0156554  0.0151177   79  PHE   A CZ   
972  H H    . PHE   A 67  ? 0.421812 0.307666 0.506805  0.057252    -0.055934   0.0908674   79  PHE   A H    
973  H HA   . PHE   A 67  ? 0.404527 0.359885 0.483481  0.0243637   -0.00701202 0.102888    79  PHE   A HA   
974  H HB2  . PHE   A 67  ? 0.37605  0.339691 0.437071  0.036646    0.00181331  0.0609488   79  PHE   A HB2  
975  H HB3  . PHE   A 67  ? 0.383139 0.328287 0.442064  0.0384382   -0.0204403  0.0776003   79  PHE   A HB3  
976  H HD1  . PHE   A 67  ? 0.409383 0.310887 0.4685    0.0701266   -0.0216808  0.0489402   79  PHE   A HD1  
977  H HD2  . PHE   A 67  ? 0.355658 0.360137 0.429194  0.0420397   0.000386    0.0290558   79  PHE   A HD2  
978  H HE1  . PHE   A 67  ? 0.414791 0.302278 0.427937  0.108937    -0.0256061  0.00516503  79  PHE   A HE1  
979  H HE2  . PHE   A 67  ? 0.349034 0.317871 0.389725  0.0857066   -0.0176384  0.0124794   79  PHE   A HE2  
980  H HZ   . PHE   A 67  ? 0.375575 0.307985 0.375954  0.115955    -0.0253443  0.00575576  79  PHE   A HZ   
981  N N    . SER   A 68  ? 0.408128 0.350767 0.450158  0.0455438   0.0160433   0.0949165   80  SER   A N    
982  C CA   . SER   A 68  ? 0.39172  0.337947 0.496168  0.031595    0.0129351   0.0816519   80  SER   A CA   
983  C C    . SER   A 68  ? 0.32912  0.30921  0.466349  0.054248    0.00661699  0.0677726   80  SER   A C    
984  O O    . SER   A 68  ? 0.349792 0.284058 0.440603  0.0345262   0.0284248   0.0928688   80  SER   A O    
985  C CB   . SER   A 68  ? 0.415459 0.386538 0.521073  0.0178735   0.0458062   0.06658     80  SER   A CB   
986  O OG   . SER   A 68  ? 0.50627  0.491368 0.576611  -0.0139237  0.0355472   0.106286    80  SER   A OG   
987  H H    . SER   A 68  ? 0.403623 0.360223 0.450969  0.0310837   0.0239554   0.0936635   80  SER   A H    
988  H HA   . SER   A 68  ? 0.387149 0.336508 0.517419  0.0394316   -0.00240807 0.0821978   80  SER   A HA   
989  H HB2  . SER   A 68  ? 0.422417 0.40437  0.501925  0.0119015   0.0557871   0.0685904   80  SER   A HB2  
990  H HB3  . SER   A 68  ? 0.419855 0.395498 0.541476  0.0269141   0.0421187   0.063538    80  SER   A HB3  
991  H HG   . SER   A 68  ? 0.253303 0.253303 0.253303  0           0           0           80  SER   A HG   
992  N N    . LEU   A 69  ? 0.351544 0.331676 0.500115  0.0699048   -0.0385881  0.059515    81  LEU   A N    
993  C CA   . LEU   A 69  ? 0.350746 0.323862 0.446017  0.0853209   -0.0472096  0.0361391   81  LEU   A CA   
994  C C    . LEU   A 69  ? 0.380424 0.310633 0.39513   0.0794852   -0.0249736  0.0474401   81  LEU   A C    
995  O O    . LEU   A 69  ? 0.368253 0.295446 0.460185  0.0630036   -0.00369391 0.0575651   81  LEU   A O    
996  C CB   . LEU   A 69  ? 0.403836 0.332795 0.473884  0.0857211   -0.0840796  -0.00687895 81  LEU   A CB   
997  C CG   . LEU   A 69  ? 0.430231 0.364106 0.449785  0.113977    -0.0785483  -0.00847986 81  LEU   A CG   
998  C CD1  . LEU   A 69  ? 0.438479 0.372367 0.41023   0.132837    -0.0842031  0.00628496  81  LEU   A CD1  
999  C CD2  . LEU   A 69  ? 0.451817 0.457083 0.497444  0.113181    -0.104563   -0.0106518  81  LEU   A CD2  
1000 H H    . LEU   A 69  ? 0.349231 0.329611 0.51463   0.0706057   -0.0423541  0.0587955   81  LEU   A H    
1001 H HA   . LEU   A 69  ? 0.356034 0.311851 0.414618  0.0811244   -0.0461312  0.039759    81  LEU   A HA   
1002 H HB2  . LEU   A 69  ? 0.399364 0.331088 0.473805  0.0890625   -0.0912235  0.00751543  81  LEU   A HB2  
1003 H HB3  . LEU   A 69  ? 0.401567 0.347472 0.501109  0.0927144   -0.0805705  0.0013438   81  LEU   A HB3  
1004 H HG   . LEU   A 69  ? 0.427278 0.367709 0.450354  0.113167    -0.0686131  -0.00964598 81  LEU   A HG   
1005 H HD11 . LEU   A 69  ? 0.427848 0.367552 0.39775   0.118427    -0.0681268  0.00444742  81  LEU   A HD11 
1006 H HD12 . LEU   A 69  ? 0.443726 0.363165 0.399638  0.136701    -0.0855938  0.00143828  81  LEU   A HD12 
1007 H HD13 . LEU   A 69  ? 0.438876 0.368806 0.41673   0.127296    -0.0954075  0.0045939   81  LEU   A HD13 
1008 H HD21 . LEU   A 69  ? 0.453572 0.435298 0.518104  0.116986    -0.103725   -0.0111151  81  LEU   A HD21 
1009 H HD22 . LEU   A 69  ? 0.454525 0.4368   0.498864  0.118531    -0.118231   -0.00737713 81  LEU   A HD22 
1010 H HD23 . LEU   A 69  ? 0.460693 0.424338 0.47843   0.128433    -0.109018   -0.0115961  81  LEU   A HD23 
1011 N N    . GLY   A 70  ? 0.3683   0.319909 0.360393  0.0873477   -0.0184842  0.0311803   82  GLY   A N    
1012 C CA   . GLY   A 70  ? 0.425319 0.332497 0.376201  0.104597    -0.00049275 -0.00891043 82  GLY   A CA   
1013 C C    . GLY   A 70  ? 0.471781 0.319055 0.415763  0.1141      0.0323087   -0.0433478  82  GLY   A C    
1014 O O    . GLY   A 70  ? 0.550376 0.323746 0.412109  0.125418    0.00853221  -0.0448797  82  GLY   A O    
1015 H H    . GLY   A 70  ? 0.375009 0.309639 0.340166  0.0866539   -0.0176991  0.032256    82  GLY   A H    
1016 H HA2  . GLY   A 70  ? 0.426386 0.309571 0.359937  0.108008    -0.00141407 -0.00405155 82  GLY   A HA2  
1017 H HA3  . GLY   A 70  ? 0.426693 0.319562 0.405612  0.115133    -0.00870586 -0.00648531 82  GLY   A HA3  
1018 N N    . LYS   A 71  ? 0.461145 0.370076 0.375506  0.096202    0.0226113   -0.0409634  83  LYS   A N    
1019 C CA   . LYS   A 71  ? 0.472743 0.431338 0.383852  0.0670796   0.0634544   -0.0579437  83  LYS   A CA   
1020 C C    . LYS   A 71  ? 0.452099 0.430101 0.302741  0.0507907   0.085926    -0.0592091  83  LYS   A C    
1021 O O    . LYS   A 71  ? 0.53843  0.477538 0.271835  0.0249154   0.0820494   -0.0364814  83  LYS   A O    
1022 C CB   . LYS   A 71  ? 0.472216 0.470214 0.430888  0.0468796   0.0814802   -0.0121794  83  LYS   A CB   
1023 C CG   . LYS   A 71  ? 0.548802 0.583972 0.505722  0.00862709  0.0659369   -0.0108216  83  LYS   A CG   
1024 C CD   . LYS   A 71  ? 0.587065 0.673894 0.665299  -0.0429429  0.0672476   0.0363365   83  LYS   A CD   
1025 C CE   . LYS   A 71  ? 0.604959 0.769132 0.810913  -0.00463343 0.0656825   0.0318407   83  LYS   A CE   
1026 N NZ   . LYS   A 71  ? 0.642744 0.836347 0.883795  -0.0284142  0.0437954   0.0613975   83  LYS   A NZ   
1027 H H    . LYS   A 71  ? 0.456104 0.362728 0.369219  0.0878598   0.0228719   -0.0302489  83  LYS   A H    
1028 H HA   . LYS   A 71  ? 0.476618 0.433483 0.402777  0.0741613   0.0716093   -0.0631428  83  LYS   A HA   
1029 H HB2  . LYS   A 71  ? 0.476999 0.469156 0.414185  0.0373716   0.0666652   -0.00792474 83  LYS   A HB2  
1030 H HB3  . LYS   A 71  ? 0.489893 0.513107 0.433644  0.0313291   0.0926668   -0.0272517  83  LYS   A HB3  
1031 H HG2  . LYS   A 71  ? 0.5378   0.572961 0.535005  0.0213183   0.0733745   -0.0204494  83  LYS   A HG2  
1032 H HG3  . LYS   A 71  ? 0.52568  0.536426 0.513353  0.020919    0.0484459   0.00056269  83  LYS   A HG3  
1033 H HD2  . LYS   A 71  ? 0.574153 0.674211 0.63351   -0.037429   0.0614807   0.0410369   83  LYS   A HD2  
1034 H HD3  . LYS   A 71  ? 0.583932 0.700269 0.649469  -0.032487   0.0907491   0.0203748   83  LYS   A HD3  
1035 H HE2  . LYS   A 71  ? 0.614229 0.774596 0.816841  -0.00829259 0.0753094   0.0192875   83  LYS   A HE2  
1036 H HE3  . LYS   A 71  ? 0.604403 0.72804  0.812549  -0.00330031 0.0448776   0.0377446   83  LYS   A HE3  
1037 H HZ1  . LYS   A 71  ? 0.635406 0.850717 0.862395  -0.0387211  0.0694943   0.0576576   83  LYS   A HZ1  
1038 H HZ2  . LYS   A 71  ? 0.62611  0.810981 0.85821   -0.033309   0.0357153   0.0739597   83  LYS   A HZ2  
1039 H HZ3  . LYS   A 71  ? 0.636471 0.847415 0.902614  -0.0251573  0.0554963   0.0544707   83  LYS   A HZ3  
1040 N N    . GLY   A 72  ? 0.462936 0.409585 0.293968  0.052043    0.0517424   -0.0135216  84  GLY   A N    
1041 C CA   . GLY   A 72  ? 0.490229 0.404212 0.313027  0.0237537   0.0489946   -0.00128479 84  GLY   A CA   
1042 C C    . GLY   A 72  ? 0.474233 0.423616 0.276288  0.021442    0.0466796   0.00084341  84  GLY   A C    
1043 O O    . GLY   A 72  ? 0.472264 0.44436  0.30639   0.0158613   0.0186624   -0.0612218  84  GLY   A O    
1044 H H    . GLY   A 72  ? 0.461634 0.385457 0.297738  0.0585443   0.0429588   -0.0163403  84  GLY   A H    
1045 H HA2  . GLY   A 72  ? 0.483208 0.387214 0.286458  0.035721    0.0385975   -0.00100227 84  GLY   A HA2  
1046 H HA3  . GLY   A 72  ? 0.491704 0.42088  0.306099  0.0277066   0.0615494   -0.0189443  84  GLY   A HA3  
1047 N N    . GLN   A 73  ? 0.41532  0.380261 0.317301  0.0423719   0.0767604   0.0226473   85  GLN   A N    
1048 C CA   . GLN   A 73  ? 0.403884 0.413272 0.251684  0.0184064   0.0725452   0.0491679   85  GLN   A CA   
1049 C C    . GLN   A 73  ? 0.389423 0.370709 0.29711   0.00833066  0.0639253   0.0407831   85  GLN   A C    
1050 O O    . GLN   A 73  ? 0.382422 0.380865 0.270922  0.0229403   0.100288    0.0734342   85  GLN   A O    
1051 C CB   . GLN   A 73  ? 0.366648 0.419024 0.263898  0.0230141   0.0637252   0.0961432   85  GLN   A CB   
1052 C CG   . GLN   A 73  ? 0.400422 0.491323 0.349525  0.0311676   0.0835911   0.069091    85  GLN   A CG   
1053 C CD   . GLN   A 73  ? 0.398655 0.539637 0.371923  0.00228883  0.114395    0.104563    85  GLN   A CD   
1054 O OE1  . GLN   A 73  ? 0.414286 0.496661 0.410327  0.00739607  0.0967395   0.151083    85  GLN   A OE1  
1055 N NE2  . GLN   A 73  ? 0.423766 0.628764 0.421013  0.00099453  0.133694    0.0761506   85  GLN   A NE2  
1056 H H    . GLN   A 73  ? 0.426168 0.384175 0.315126  0.0434584   0.065995    0.0224132   85  GLN   A H    
1057 H HA   . GLN   A 73  ? 0.403309 0.434642 0.256396  0.0077713   0.0840859   0.044225    85  GLN   A HA   
1058 H HB2  . GLN   A 73  ? 0.375145 0.397281 0.274913  0.0358056   0.0493656   0.084693    85  GLN   A HB2  
1059 H HB3  . GLN   A 73  ? 0.380537 0.424025 0.270484  0.0196238   0.0571527   0.104085    85  GLN   A HB3  
1060 H HG2  . GLN   A 73  ? 0.398409 0.518011 0.334053  0.0114809   0.106214    0.077984    85  GLN   A HG2  
1061 H HG3  . GLN   A 73  ? 0.390942 0.480908 0.341183  0.0309726   0.0960147   0.0625716   85  GLN   A HG3  
1062 H HE21 . GLN   A 73  ? 0.419569 0.623984 0.439853  -0.00160893 0.129332    0.0917761   85  GLN   A HE21 
1063 H HE22 . GLN   A 73  ? 0.420566 0.629251 0.414375  0.00158576  0.147227    0.0709485   85  GLN   A HE22 
1064 N N    . VAL   A 74  ? 0.366209 0.311976 0.278501  0.0164724   0.0797383   0.0130093   86  VAL   A N    
1065 C CA   . VAL   A 74  ? 0.349998 0.325338 0.24337   0.0152495   0.0636472   0.00320094  86  VAL   A CA   
1066 C C    . VAL   A 74  ? 0.36661  0.32621  0.184997  0.00766972  0.0564796   -0.00114019 86  VAL   A C    
1067 O O    . VAL   A 74  ? 0.35647  0.343718 0.207171  0.0371096   0.077011    0.0175566   86  VAL   A O    
1068 C CB   . VAL   A 74  ? 0.357705 0.305082 0.28036   0.0342903   0.071948    -0.0237246  86  VAL   A CB   
1069 C CG1  . VAL   A 74  ? 0.379455 0.317398 0.35685   0.0418766   0.0403376   -0.021974   86  VAL   A CG1  
1070 C CG2  . VAL   A 74  ? 0.406227 0.319765 0.297279  0.0468952   0.0735578   -0.0616184  86  VAL   A CG2  
1071 H H    . VAL   A 74  ? 0.367804 0.317166 0.286237  0.0234548   0.0745986   0.00580506  86  VAL   A H    
1072 H HA   . VAL   A 74  ? 0.357381 0.335157 0.233315  0.00837008  0.0662435   0.0108678   86  VAL   A HA   
1073 H HB   . VAL   A 74  ? 0.36058  0.303532 0.268586  0.0440771   0.0622095   -0.0232888  86  VAL   A HB   
1074 H HG11 . VAL   A 74  ? 0.37904  0.328199 0.356437  0.0282693   0.0496176   -0.0165468  86  VAL   A HG11 
1075 H HG12 . VAL   A 74  ? 0.376812 0.327301 0.333208  0.0305382   0.0468608   -0.00986386 86  VAL   A HG12 
1076 H HG13 . VAL   A 74  ? 0.377759 0.304629 0.352513  0.0467119   0.0328891   -0.0156475  86  VAL   A HG13 
1077 H HG21 . VAL   A 74  ? 0.394449 0.30038  0.301806  0.0554303   0.0568786   -0.0520613  86  VAL   A HG21 
1078 H HG22 . VAL   A 74  ? 0.394159 0.310909 0.288169  0.0523739   0.0756216   -0.0599796  86  VAL   A HG22 
1079 H HG23 . VAL   A 74  ? 0.393676 0.319219 0.314225  0.040676    0.0744981   -0.0538635  86  VAL   A HG23 
1080 N N    . ILE   A 75  ? 0.362568 0.29603  0.166294  0.0119575   0.0860136   0.0123802   87  ILE   A N    
1081 C CA   . ILE   A 75  ? 0.365492 0.299932 0.190736  0.00707133  0.0630977   0.0189744   87  ILE   A CA   
1082 C C    . ILE   A 75  ? 0.36403  0.30896  0.233847  0.0400945   0.073286    0.0240349   87  ILE   A C    
1083 O O    . ILE   A 75  ? 0.391714 0.298973 0.201131  0.0431581   0.076253    0.0691033   87  ILE   A O    
1084 C CB   . ILE   A 75  ? 0.355338 0.315782 0.208196  -0.00012165 0.0634837   0.0268659   87  ILE   A CB   
1085 C CG1  . ILE   A 75  ? 0.372148 0.324366 0.227219  0.0396786   0.044152    0.0382989   87  ILE   A CG1  
1086 C CG2  . ILE   A 75  ? 0.345148 0.33795  0.222944  -0.00705554 0.0639636   0.0478041   87  ILE   A CG2  
1087 C CD1  . ILE   A 75  ? 0.377337 0.341523 0.211394  0.0191472   0.055043    0.0543312   87  ILE   A CD1  
1088 H H    . ILE   A 75  ? 0.360422 0.305575 0.171168  0.0118909   0.0648507   0.0213509   87  ILE   A H    
1089 H HA   . ILE   A 75  ? 0.366747 0.313069 0.195568  8.682e-05   0.0822904   0.0105799   87  ILE   A HA   
1090 H HB   . ILE   A 75  ? 0.362652 0.314027 0.205405  0.00784159  0.0658215   0.030174    87  ILE   A HB   
1091 H HG12 . ILE   A 75  ? 0.366571 0.327595 0.22866   0.0276342   0.0416827   0.0396005   87  ILE   A HG12 
1092 H HG13 . ILE   A 75  ? 0.371495 0.31058  0.227979  0.0370439   0.0437775   0.035829    87  ILE   A HG13 
1093 H HG21 . ILE   A 75  ? 0.346514 0.345397 0.209064  -0.00670854 0.0630449   0.0472582   87  ILE   A HG21 
1094 H HG22 . ILE   A 75  ? 0.345381 0.34257  0.219915  -0.0115038  0.0608025   0.0483359   87  ILE   A HG22 
1095 H HG23 . ILE   A 75  ? 0.351207 0.349302 0.219016  -0.0203794  0.0742456   0.037784    87  ILE   A HG23 
1096 H HD11 . ILE   A 75  ? 0.37939  0.338474 0.208591  0.0253928   0.0586445   0.0515293   87  ILE   A HD11 
1097 H HD12 . ILE   A 75  ? 0.379583 0.335748 0.218144  0.039787    0.0422051   0.0518153   87  ILE   A HD12 
1098 H HD13 . ILE   A 75  ? 0.373878 0.351464 0.211633  0.0195116   0.0538278   0.0549565   87  ILE   A HD13 
1099 N N    . LYS   A 76  ? 0.370213 0.313274 0.194489  0.0444452   0.0673731   0.0330296   88  LYS   A N    
1100 C CA   . LYS   A 76  ? 0.381667 0.272432 0.275058  0.0660596   0.0490846   0.0430087   88  LYS   A CA   
1101 C C    . LYS   A 76  ? 0.397669 0.276217 0.25912   0.0707447   0.0503369   0.0562896   88  LYS   A C    
1102 O O    . LYS   A 76  ? 0.395617 0.320744 0.25361   0.0905018   0.0597453   0.0397398   88  LYS   A O    
1103 C CB   . LYS   A 76  ? 0.411479 0.309929 0.33725   0.0329755   0.0165744   0.101794    88  LYS   A CB   
1104 H H    . LYS   A 76  ? 0.371918 0.314206 0.2134    0.0344675   0.0731968   0.0298272   88  LYS   A H    
1105 H HA   . LYS   A 76  ? 0.382671 0.282242 0.284022  0.0593665   0.0494849   0.045188    88  LYS   A HA   
1106 H HB2  . LYS   A 76  ? 0.253303 0.253303 0.253303  0           0           0           88  LYS   A HB2  
1107 H HB3  . LYS   A 76  ? 0.253303 0.253303 0.253303  0           0           0           88  LYS   A HB3  
1108 N N    . ALA   A 77  ? 0.432709 0.298586 0.204365  0.0728147   0.0436405   0.068295    89  ALA   A N    
1109 C CA   . ALA   A 77  ? 0.430449 0.305751 0.225797  0.0902023   0.0585229   0.0445344   89  ALA   A CA   
1110 C C    . ALA   A 77  ? 0.42144  0.307574 0.23008   0.0915605   0.0387645   0.0235304   89  ALA   A C    
1111 O O    . ALA   A 77  ? 0.433548 0.337612 0.235231  0.0849329   0.0249138   0.0562647   89  ALA   A O    
1112 C CB   . ALA   A 77  ? 0.415564 0.330726 0.21332   0.0879565   0.0634668   0.0524897   89  ALA   A CB   
1113 H H    . ALA   A 77  ? 0.413745 0.303435 0.209373  0.0641514   0.0553704   0.0609022   89  ALA   A H    
1114 H HA   . ALA   A 77  ? 0.440218 0.311583 0.22936   0.0916899   0.0524904   0.0488494   89  ALA   A HA   
1115 H HB1  . ALA   A 77  ? 0.42362  0.336518 0.210014  0.0821681   0.071484    0.0551781   89  ALA   A HB1  
1116 H HB2  . ALA   A 77  ? 0.410222 0.328575 0.209566  0.0842924   0.0629723   0.0498839   89  ALA   A HB2  
1117 H HB3  . ALA   A 77  ? 0.427727 0.335432 0.21176   0.101235    0.055328    0.051111    89  ALA   A HB3  
1118 N N    . TRP   A 78  ? 0.426333 0.302943 0.215491  0.0858692   0.0347217   0.030462    90  TRP   A N    
1119 C CA   . TRP   A 78  ? 0.42708  0.304942 0.204181  0.104381    0.0266141   0.0368812   90  TRP   A CA   
1120 C C    . TRP   A 78  ? 0.409599 0.274229 0.256668  0.0927261   0.0114089   0.0546978   90  TRP   A C    
1121 O O    . TRP   A 78  ? 0.434768 0.276587 0.278143  0.0680649   0.00092368  0.00396862  90  TRP   A O    
1122 C CB   . TRP   A 78  ? 0.416865 0.317534 0.195059  0.0811678   0.0214196   0.0323002   90  TRP   A CB   
1123 C CG   . TRP   A 78  ? 0.412892 0.325173 0.186031  0.0872162   -0.00771533 0.0117437   90  TRP   A CG   
1124 C CD1  . TRP   A 78  ? 0.415395 0.347175 0.217776  0.102365    0.00814111  0.00217282  90  TRP   A CD1  
1125 C CD2  . TRP   A 78  ? 0.415203 0.269678 0.256167  0.119664    -0.010679   -0.0002317  90  TRP   A CD2  
1126 N NE1  . TRP   A 78  ? 0.394479 0.356232 0.220628  0.105869    0.00521914  -0.0257966  90  TRP   A NE1  
1127 C CE2  . TRP   A 78  ? 0.417825 0.333696 0.210623  0.107319    -0.00584385 -0.0239375  90  TRP   A CE2  
1128 C CE3  . TRP   A 78  ? 0.404277 0.290142 0.278984  0.124765    0.00646277  -0.00662    90  TRP   A CE3  
1129 C CZ2  . TRP   A 78  ? 0.432971 0.32154  0.25265   0.142609    -0.024144   -0.0241738  90  TRP   A CZ2  
1130 C CZ3  . TRP   A 78  ? 0.417223 0.297394 0.325039  0.106988    -0.0246342  -0.0215325  90  TRP   A CZ3  
1131 C CH2  . TRP   A 78  ? 0.42492  0.31231  0.285195  0.116973    -0.0382369  -0.0411125  90  TRP   A CH2  
1132 H H    . TRP   A 78  ? 0.415226 0.307994 0.209586  0.0776139   0.0458287   0.0315926   90  TRP   A H    
1133 H HA   . TRP   A 78  ? 0.43055  0.30134  0.20881   0.108952    0.0126732   0.0333581   90  TRP   A HA   
1134 H HB2  . TRP   A 78  ? 0.408959 0.321477 0.192032  0.0729946   0.0310857   0.0307003   90  TRP   A HB2  
1135 H HB3  . TRP   A 78  ? 0.413858 0.312409 0.216249  0.0818849   0.0128505   0.0279648   90  TRP   A HB3  
1136 H HD1  . TRP   A 78  ? 0.408894 0.351192 0.19064   0.100241    0.0165413   -0.00311268 90  TRP   A HD1  
1137 H HE1  . TRP   A 78  ? 0.403143 0.359234 0.208224  0.115704    0.00399194  -0.0188792  90  TRP   A HE1  
1138 H HE3  . TRP   A 78  ? 0.398703 0.283044 0.290548  0.115264    0.00200381  -0.0109683  90  TRP   A HE3  
1139 H HZ2  . TRP   A 78  ? 0.431793 0.328742 0.252869  0.141616    -0.0286246  -0.0289985  90  TRP   A HZ2  
1140 H HZ3  . TRP   A 78  ? 0.419016 0.298062 0.334433  0.103936    -0.030154   -0.0167532  90  TRP   A HZ3  
1141 H HH2  . TRP   A 78  ? 0.43828  0.312733 0.316701  0.122146    -0.0486993  -0.0273309  90  TRP   A HH2  
1142 N N    . ASP   A 79  ? 0.407963 0.284522 0.215027  0.0654347   0.00692838  0.0380234   91  ASP   A N    
1143 C CA   . ASP   A 79  ? 0.408913 0.270462 0.278603  0.067487    0.028649    0.0274257   91  ASP   A CA   
1144 C C    . ASP   A 79  ? 0.442313 0.305772 0.275425  0.109274    -0.0010633  0.0180054   91  ASP   A C    
1145 O O    . ASP   A 79  ? 0.416652 0.391187 0.249797  0.106718    0.00251164  0.0443102   91  ASP   A O    
1146 C CB   . ASP   A 79  ? 0.390872 0.297246 0.31632   0.069251    0.0507856   -0.00132326 91  ASP   A CB   
1147 C CG   . ASP   A 79  ? 0.418885 0.306092 0.324667  0.0672972   0.0491018   0.00457319  91  ASP   A CG   
1148 O OD1  . ASP   A 79  ? 0.391166 0.301754 0.285583  0.0648643   0.0289051   -0.0176764  91  ASP   A OD1  
1149 O OD2  . ASP   A 79  ? 0.399746 0.346124 0.278098  0.0531872   0.0316382   0.00744707  91  ASP   A OD2  
1150 H H    . ASP   A 79  ? 0.398403 0.282601 0.218536  0.0584184   0.0233598   0.0367445   91  ASP   A H    
1151 H HA   . ASP   A 79  ? 0.401852 0.280118 0.288327  0.0701806   0.0151872   0.0227989   91  ASP   A HA   
1152 H HB2  . ASP   A 79  ? 0.402639 0.290934 0.295297  0.0631531   0.0549211   0.00626876  91  ASP   A HB2  
1153 H HB3  . ASP   A 79  ? 0.410254 0.290265 0.329985  0.0745203   0.0456642   0.00303055  91  ASP   A HB3  
1154 N N    . ILE   A 80  ? 0.435717 0.320821 0.207579  0.103351    -0.0201095  0.0198789   92  ILE   A N    
1155 C CA   . ILE   A 80  ? 0.486099 0.32271  0.201935  0.118836    -0.0212982  0.0262175   92  ILE   A CA   
1156 C C    . ILE   A 80  ? 0.474312 0.323941 0.236179  0.135405    -0.0199937  0.0203747   92  ILE   A C    
1157 O O    . ILE   A 80  ? 0.542449 0.392045 0.208953  0.154343    -0.0221373  0.00832635  92  ILE   A O    
1158 C CB   . ILE   A 80  ? 0.535267 0.315119 0.171829  0.101313    0.00237485  0.0383916   92  ILE   A CB   
1159 C CG1  . ILE   A 80  ? 0.560416 0.299243 0.2515    0.0698184   0.00331024  0.0675512   92  ILE   A CG1  
1160 C CG2  . ILE   A 80  ? 0.59805  0.395878 0.178846  0.0986597   0.0242105   0.0492105   92  ILE   A CG2  
1161 C CD1  . ILE   A 80  ? 0.573729 0.315646 0.291923  0.0485826   0.0354717   0.0666566   92  ILE   A CD1  
1162 H H    . ILE   A 80  ? 0.43389  0.316879 0.200324  0.0957889   -0.00648435 0.0203938   92  ILE   A H    
1163 H HA   . ILE   A 80  ? 0.488985 0.318113 0.230479  0.120363    -0.0215639  0.0265579   92  ILE   A HA   
1164 H HB   . ILE   A 80  ? 0.527253 0.328966 0.167664  0.0950853   0.00784714  0.0424405   92  ILE   A HB   
1165 H HG12 . ILE   A 80  ? 0.566763 0.302105 0.266994  0.0802496   0.0038209   0.0625042   92  ILE   A HG12 
1166 H HG13 . ILE   A 80  ? 0.541049 0.296499 0.25456   0.0684601   0.0133444   0.0489449   92  ILE   A HG13 
1167 H HG21 . ILE   A 80  ? 0.597389 0.384587 0.176281  0.0997815   0.0214554   0.0576168   92  ILE   A HG21 
1168 H HG22 . ILE   A 80  ? 0.601064 0.375002 0.199355  0.106357    0.00696011  0.0499768   92  ILE   A HG22 
1169 H HG23 . ILE   A 80  ? 0.589241 0.389036 0.167644  0.108736    0.00600431  0.0491328   92  ILE   A HG23 
1170 H HD11 . ILE   A 80  ? 0.561574 0.318247 0.2597    0.0440432   0.0360912   0.0634015   92  ILE   A HD11 
1171 H HD12 . ILE   A 80  ? 0.575449 0.31057  0.294569  0.0438707   0.0367939   0.0663317   92  ILE   A HD12 
1172 H HD13 . ILE   A 80  ? 0.587366 0.325696 0.28065   0.0564238   0.0244321   0.0767739   92  ILE   A HD13 
1173 N N    . GLY   A 81  ? 0.46611  0.325033 0.215009  0.132999    -0.00465501 -0.00820592 93  GLY   A N    
1174 C CA   . GLY   A 81  ? 0.474488 0.339068 0.189705  0.150749    -0.00847587 0.00083093  93  GLY   A CA   
1175 C C    . GLY   A 81  ? 0.505979 0.329171 0.265532  0.152487    -0.0676931  -0.0563737  93  GLY   A C    
1176 O O    . GLY   A 81  ? 0.515255 0.400324 0.249789  0.179922    -0.10129    -0.0491636  93  GLY   A O    
1177 H H    . GLY   A 81  ? 0.453637 0.320944 0.205332  0.125221    0.00609308  0.00200328  93  GLY   A H    
1178 H HA2  . GLY   A 81  ? 0.498613 0.348331 0.187077  0.1565      -0.0203485  -0.00067637 93  GLY   A HA2  
1179 H HA3  . GLY   A 81  ? 0.476355 0.340814 0.189928  0.149795    -0.0140112  -0.011662   93  GLY   A HA3  
1180 N N    . VAL   A 82  ? 0.434901 0.315159 0.295857  0.138344    -0.0618029  -0.0442948  94  VAL   A N    
1181 C CA   . VAL   A 82  ? 0.491153 0.276384 0.333046  0.13563     -0.0837373  -0.0635611  94  VAL   A CA   
1182 C C    . VAL   A 82  ? 0.491865 0.28585  0.383262  0.15943     -0.110873   -0.0777923  94  VAL   A C    
1183 O O    . VAL   A 82  ? 0.518924 0.336786 0.406779  0.163923    -0.127271   -0.0713251  94  VAL   A O    
1184 C CB   . VAL   A 82  ? 0.460777 0.318104 0.321223  0.0961961   -0.0817499  -0.0446761  94  VAL   A CB   
1185 C CG1  . VAL   A 82  ? 0.521613 0.338935 0.355235  0.0595622   -0.121729   -0.0385349  94  VAL   A CG1  
1186 C CG2  . VAL   A 82  ? 0.512591 0.284425 0.306314  0.110235    -0.0409526  -0.00351236 94  VAL   A CG2  
1187 H H    . VAL   A 82  ? 0.446663 0.302157 0.287388  0.128815    -0.0482581  -0.044436   94  VAL   A H    
1188 H HA   . VAL   A 82  ? 0.489732 0.296277 0.33017   0.146106    -0.0967066  -0.0701838  94  VAL   A HA   
1189 H HB   . VAL   A 82  ? 0.469443 0.304004 0.320643  0.0899635   -0.0625737  -0.0342742  94  VAL   A HB   
1190 H HG11 . VAL   A 82  ? 0.520228 0.336842 0.36881   0.0776172   -0.130815   -0.0457161  94  VAL   A HG11 
1191 H HG12 . VAL   A 82  ? 0.50858  0.336639 0.372212  0.0650044   -0.114089   -0.040903   94  VAL   A HG12 
1192 H HG13 . VAL   A 82  ? 0.497343 0.330233 0.364839  0.0588039   -0.108885   -0.0327185  94  VAL   A HG13 
1193 H HG21 . VAL   A 82  ? 0.486381 0.293158 0.306709  0.0943681   -0.0478568  -0.00534946 94  VAL   A HG21 
1194 H HG22 . VAL   A 82  ? 0.494013 0.300704 0.282723  0.109828    -0.040514   -0.0129474  94  VAL   A HG22 
1195 H HG23 . VAL   A 82  ? 0.508541 0.300372 0.314682  0.115827    -0.0667447  -0.0205769  94  VAL   A HG23 
1196 N N    . ALA   A 83  ? 0.476517 0.281035 0.391499  0.181133    -0.0973846  -0.0736534  95  ALA   A N    
1197 C CA   . ALA   A 83  ? 0.499614 0.32853  0.36612   0.153501    -0.127167   -0.0803902  95  ALA   A CA   
1198 C C    . ALA   A 83  ? 0.546774 0.397932 0.367111  0.201026    -0.160294   -0.106023   95  ALA   A C    
1199 O O    . ALA   A 83  ? 0.590982 0.468017 0.433694  0.225046    -0.186857   -0.125128   95  ALA   A O    
1200 C CB   . ALA   A 83  ? 0.506954 0.337971 0.330137  0.149843    -0.0999236  -0.0833734  95  ALA   A CB   
1201 H H    . ALA   A 83  ? 0.476406 0.290454 0.362517  0.16431     -0.0833092  -0.0684845  95  ALA   A H    
1202 H HA   . ALA   A 83  ? 0.493505 0.330763 0.392298  0.159304    -0.128784   -0.0859103  95  ALA   A HA   
1203 H HB1  . ALA   A 83  ? 0.488351 0.327682 0.333894  0.140489    -0.0879939  -0.0823692  95  ALA   A HB1  
1204 H HB2  . ALA   A 83  ? 0.510697 0.335853 0.320058  0.152207    -0.0955949  -0.0763574  95  ALA   A HB2  
1205 H HB3  . ALA   A 83  ? 0.513204 0.340608 0.363403  0.155418    -0.110559   -0.0798925  95  ALA   A HB3  
1206 N N    . THR   A 84  ? 0.582455 0.410362 0.286657  0.21551     -0.160538   -0.106452   96  THR   A N    
1207 C CA   . THR   A 84  ? 0.646876 0.436722 0.282424  0.242983    -0.17539    -0.100979   96  THR   A CA   
1208 C C    . THR   A 84  ? 0.677943 0.447029 0.286813  0.25838     -0.217617   -0.106033   96  THR   A C    
1209 O O    . THR   A 84  ? 0.791508 0.472283 0.294934  0.276457    -0.222828   -0.14157    96  THR   A O    
1210 C CB   . THR   A 84  ? 0.664941 0.460797 0.233947  0.26614     -0.143673   -0.116971   96  THR   A CB   
1211 O OG1  . THR   A 84  ? 0.65703  0.450247 0.262709  0.268442    -0.114492   -0.123122   96  THR   A OG1  
1212 C CG2  . THR   A 84  ? 0.672587 0.420623 0.336644  0.276652    -0.102578   -0.086818   96  THR   A CG2  
1213 H H    . THR   A 84  ? 0.569534 0.400877 0.281328  0.211153    -0.146879   -0.102615   96  THR   A H    
1214 H HA   . THR   A 84  ? 0.652455 0.445461 0.296996  0.247507    -0.18355    -0.0992265  96  THR   A HA   
1215 H HB   . THR   A 84  ? 0.691324 0.47857  0.238106  0.276096    -0.152921   -0.108738   96  THR   A HB   
1216 H HG1  . THR   A 84  ? 0.253303 0.253303 0.253303  0           0           0           96  THR   A HG1  
1217 H HG21 . THR   A 84  ? 0.677862 0.446825 0.288937  0.272595    -0.101782   -0.085158   96  THR   A HG21 
1218 H HG22 . THR   A 84  ? 0.643398 0.410758 0.326885  0.260086    -0.0953227  -0.0908526  96  THR   A HG22 
1219 H HG23 . THR   A 84  ? 0.673223 0.433243 0.323739  0.272949    -0.116133   -0.0840314  96  THR   A HG23 
1220 N N    . MET   A 85  ? 0.688487 0.381477 0.390575  0.23034     -0.205334   -0.115218   97  MET   A N    
1221 C CA   . MET   A 85  ? 0.66858  0.414989 0.319721  0.227462    -0.246604   -0.14709    97  MET   A CA   
1222 C C    . MET   A 85  ? 0.689877 0.442566 0.369595  0.228926    -0.264068   -0.145462   97  MET   A C    
1223 O O    . MET   A 85  ? 0.687295 0.423187 0.440604  0.231208    -0.237126   -0.105922   97  MET   A O    
1224 C CB   . MET   A 85  ? 0.607125 0.408138 0.353313  0.22303     -0.230356   -0.122996   97  MET   A CB   
1225 C CG   . MET   A 85  ? 0.616296 0.403125 0.334141  0.210007    -0.215783   -0.149765   97  MET   A CG   
1226 S SD   . MET   A 85  ? 0.607289 0.394704 0.375499  0.213938    -0.175845   -0.108405   97  MET   A SD   
1227 C CE   . MET   A 85  ? 0.667965 0.427693 0.358956  0.258733    -0.183236   -0.116326   97  MET   A CE   
1228 H H    . MET   A 85  ? 0.649243 0.383848 0.378316  0.220934    -0.207089   -0.105829   97  MET   A H    
1229 H HA   . MET   A 85  ? 0.689284 0.440306 0.324839  0.243249    -0.241185   -0.145818   97  MET   A HA   
1230 H HB2  . MET   A 85  ? 0.601567 0.388007 0.358915  0.206109    -0.226164   -0.125978   97  MET   A HB2  
1231 H HB3  . MET   A 85  ? 0.636782 0.413352 0.36852   0.223211    -0.247947   -0.145014   97  MET   A HB3  
1232 H HG2  . MET   A 85  ? 0.634129 0.425765 0.330753  0.228844    -0.213208   -0.142486   97  MET   A HG2  
1233 H HG3  . MET   A 85  ? 0.60086  0.395289 0.322265  0.210828    -0.193958   -0.124491   97  MET   A HG3  
1234 H HE1  . MET   A 85  ? 0.657415 0.415168 0.37704   0.250674    -0.187136   -0.118274   97  MET   A HE1  
1235 H HE2  . MET   A 85  ? 0.670586 0.418596 0.396895  0.248414    -0.202996   -0.12264    97  MET   A HE2  
1236 H HE3  . MET   A 85  ? 0.678805 0.44349  0.355517  0.264931    -0.187091   -0.129279   97  MET   A HE3  
1237 N N    . LYS   A 86  ? 0.687514 0.491305 0.353755  0.251015    -0.280833   -0.173365   98  LYS   A N    
1238 C CA   . LYS   A 86  ? 0.700632 0.497322 0.493207  0.25835     -0.275818   -0.182236   98  LYS   A CA   
1239 C C    . LYS   A 86  ? 0.698465 0.488215 0.534578  0.272593    -0.287564   -0.165504   98  LYS   A C    
1240 O O    . LYS   A 86  ? 0.692077 0.466545 0.515509  0.275022    -0.246288   -0.218758   98  LYS   A O    
1241 C CB   . LYS   A 86  ? 0.743384 0.552585 0.510227  0.287242    -0.301492   -0.183919   98  LYS   A CB   
1242 C CG   . LYS   A 86  ? 0.754093 0.59269  0.515355  0.297947    -0.305471   -0.177308   98  LYS   A CG   
1243 C CD   . LYS   A 86  ? 0.827485 0.670201 0.544349  0.312362    -0.300179   -0.172428   98  LYS   A CD   
1244 C CE   . LYS   A 86  ? 0.862563 0.723741 0.605781  0.313102    -0.295314   -0.130716   98  LYS   A CE   
1245 N NZ   . LYS   A 86  ? 0.947417 0.80135  0.686652  0.307791    -0.2974     -0.192521   98  LYS   A NZ   
1246 H H    . LYS   A 86  ? 0.707905 0.498962 0.362371  0.262038    -0.271469   -0.178842   98  LYS   A H    
1247 H HA   . LYS   A 86  ? 0.683654 0.492922 0.488084  0.254078    -0.281932   -0.164574   98  LYS   A HA   
1248 H HB2  . LYS   A 86  ? 0.759987 0.5628   0.502081  0.295007    -0.302532   -0.201567   98  LYS   A HB2  
1249 H HB3  . LYS   A 86  ? 0.756284 0.557494 0.55068   0.281861    -0.324591   -0.197465   98  LYS   A HB3  
1250 H HG2  . LYS   A 86  ? 0.748296 0.589508 0.538693  0.2906      -0.30601    -0.164339   98  LYS   A HG2  
1251 H HG3  . LYS   A 86  ? 0.739409 0.581014 0.484846  0.294745    -0.276247   -0.159551   98  LYS   A HG3  
1252 H HD2  . LYS   A 86  ? 0.833941 0.675303 0.528182  0.31966     -0.295774   -0.180976   98  LYS   A HD2  
1253 H HD3  . LYS   A 86  ? 0.846381 0.680522 0.583205  0.313071    -0.329077   -0.187785   98  LYS   A HD3  
1254 H HE2  . LYS   A 86  ? 0.847546 0.704447 0.615666  0.300372    -0.294405   -0.133475   98  LYS   A HE2  
1255 H HE3  . LYS   A 86  ? 0.857069 0.71922  0.568045  0.313036    -0.269819   -0.13566    98  LYS   A HE3  
1256 H HZ1  . LYS   A 86  ? 0.944439 0.798073 0.695453  0.311966    -0.32753    -0.187715   98  LYS   A HZ1  
1257 H HZ2  . LYS   A 86  ? 0.956848 0.814436 0.651622  0.320882    -0.306277   -0.191449   98  LYS   A HZ2  
1258 H HZ3  . LYS   A 86  ? 0.945643 0.821432 0.659363  0.316009    -0.305167   -0.168591   98  LYS   A HZ3  
1259 N N    . LYS   A 87  ? 0.688083 0.486586 0.627921  0.280183    -0.326397   -0.145085   99  LYS   A N    
1260 C CA   . LYS   A 87  ? 0.712899 0.477165 0.667557  0.254855    -0.345211   -0.143694   99  LYS   A CA   
1261 C C    . LYS   A 87  ? 0.746607 0.507984 0.652584  0.265507    -0.368908   -0.175332   99  LYS   A C    
1262 O O    . LYS   A 87  ? 0.718552 0.531216 0.677093  0.262889    -0.394121   -0.202095   99  LYS   A O    
1263 C CB   . LYS   A 87  ? 0.738689 0.533767 0.781396  0.23617     -0.338443   -0.130338   99  LYS   A CB   
1264 C CG   . LYS   A 87  ? 0.785501 0.583207 0.878171  0.212255    -0.330728   -0.116473   99  LYS   A CG   
1265 C CD   . LYS   A 87  ? 0.752569 0.630034 0.973604  0.187611    -0.355665   -0.120943   99  LYS   A CD   
1266 C CE   . LYS   A 87  ? 0.788552 0.623185 1.05009   0.136445    -0.323892   -0.127067   99  LYS   A CE   
1267 N NZ   . LYS   A 87  ? 0.801806 0.64337  1.14168   0.110436    -0.34001    -0.130271   99  LYS   A NZ   
1268 H H    . LYS   A 87  ? 0.685024 0.491869 0.62997   0.272106    -0.331132   -0.144777   99  LYS   A H    
1269 H HA   . LYS   A 87  ? 0.688033 0.469549 0.649632  0.248927    -0.321626   -0.131559   99  LYS   A HA   
1270 H HB2  . LYS   A 87  ? 0.712348 0.523519 0.766435  0.225482    -0.324509   -0.113385   99  LYS   A HB2  
1271 H HB3  . LYS   A 87  ? 0.759824 0.547011 0.794157  0.241439    -0.358369   -0.141983   99  LYS   A HB3  
1272 H HG2  . LYS   A 87  ? 0.797429 0.582911 0.88851   0.22118     -0.355689   -0.136862   99  LYS   A HG2  
1273 H HG3  . LYS   A 87  ? 0.751442 0.559982 0.863704  0.206481    -0.314426   -0.107834   99  LYS   A HG3  
1274 H HD2  . LYS   A 87  ? 0.741635 0.622715 0.962377  0.174161    -0.330803   -0.107773   99  LYS   A HD2  
1275 H HD3  . LYS   A 87  ? 0.790249 0.637791 0.995401  0.186009    -0.3721     -0.138712   99  LYS   A HD3  
1276 H HE2  . LYS   A 87  ? 0.805887 0.620083 1.0546    0.150188    -0.343427   -0.136496   99  LYS   A HE2  
1277 H HE3  . LYS   A 87  ? 0.756852 0.610776 1.02794   0.133628    -0.307826   -0.10502    99  LYS   A HE3  
1278 H HZ1  . LYS   A 87  ? 0.826017 0.653451 1.16074   0.119219    -0.365655   -0.144887   99  LYS   A HZ1  
1279 H HZ2  . LYS   A 87  ? 0.779897 0.648615 1.13307   0.104878    -0.331002   -0.11595    99  LYS   A HZ2  
1280 H HZ3  . LYS   A 87  ? 0.807205 0.639022 1.16857   0.0985925   -0.345228   -0.118697   99  LYS   A HZ3  
1281 N N    . GLY   A 88  ? 0.775096 0.462898 0.643745  0.278629    -0.345401   -0.194614   100 GLY   A N    
1282 C CA   . GLY   A 88  ? 0.831592 0.469729 0.636071  0.273348    -0.341259   -0.225721   100 GLY   A CA   
1283 C C    . GLY   A 88  ? 0.811304 0.481298 0.587794  0.275931    -0.353631   -0.247895   100 GLY   A C    
1284 O O    . GLY   A 88  ? 0.874778 0.526895 0.556975  0.298789    -0.36273    -0.262796   100 GLY   A O    
1285 H H    . GLY   A 88  ? 0.747769 0.451092 0.633432  0.259473    -0.327869   -0.172785   100 GLY   A H    
1286 H HA2  . GLY   A 88  ? 0.824769 0.456489 0.671603  0.268161    -0.357222   -0.222721   100 GLY   A HA2  
1287 H HA3  . GLY   A 88  ? 0.852129 0.490034 0.674947  0.280852    -0.374721   -0.244056   100 GLY   A HA3  
1288 N N    . GLU   A 89  ? 0.775578 0.466768 0.570112  0.288398    -0.301181   -0.215195   101 GLU   A N    
1289 C CA   . GLU   A 89  ? 0.762006 0.481522 0.461244  0.284358    -0.304882   -0.237923   101 GLU   A CA   
1290 C C    . GLU   A 89  ? 0.76398  0.475466 0.439406  0.281678    -0.305308   -0.240439   101 GLU   A C    
1291 O O    . GLU   A 89  ? 0.783975 0.408576 0.449297  0.238728    -0.264037   -0.217368   101 GLU   A O    
1292 C CB   . GLU   A 89  ? 0.732249 0.48686  0.405119  0.269007    -0.291257   -0.206842   101 GLU   A CB   
1293 C CG   . GLU   A 89  ? 0.746267 0.500416 0.323414  0.297919    -0.254189   -0.208522   101 GLU   A CG   
1294 C CD   . GLU   A 89  ? 0.752081 0.511418 0.378296  0.279133    -0.230351   -0.195889   101 GLU   A CD   
1295 O OE1  . GLU   A 89  ? 0.778893 0.491704 0.388367  0.315224    -0.246918   -0.186251   101 GLU   A OE1  
1296 O OE2  . GLU   A 89  ? 0.724081 0.480755 0.388141  0.297009    -0.184986   -0.164718   101 GLU   A OE2  
1297 H H    . GLU   A 89  ? 0.752477 0.458555 0.544289  0.269489    -0.308309   -0.209111   101 GLU   A H    
1298 H HA   . GLU   A 89  ? 0.799335 0.512705 0.469208  0.301743    -0.314899   -0.256406   101 GLU   A HA   
1299 H HB2  . GLU   A 89  ? 0.745357 0.493584 0.414884  0.27534     -0.30171    -0.212781   101 GLU   A HB2  
1300 H HB3  . GLU   A 89  ? 0.705609 0.459122 0.401047  0.260612    -0.273437   -0.190191   101 GLU   A HB3  
1301 H HG2  . GLU   A 89  ? 0.728471 0.494004 0.330539  0.291317    -0.240992   -0.204866   101 GLU   A HG2  
1302 H HG3  . GLU   A 89  ? 0.777924 0.531239 0.339708  0.308628    -0.26142    -0.234212   101 GLU   A HG3  
1303 N N    . ILE   A 90  ? 0.800722 0.498626 0.434902  0.311451    -0.304112   -0.259324   102 ILE   A N    
1304 C CA   . ILE   A 90  ? 0.764388 0.495125 0.445151  0.296558    -0.310827   -0.225822   102 ILE   A CA   
1305 C C    . ILE   A 90  ? 0.7214   0.540292 0.44324   0.30432     -0.269924   -0.209307   102 ILE   A C    
1306 O O    . ILE   A 90  ? 0.837887 0.51895  0.491564  0.337813    -0.288316   -0.18989    102 ILE   A O    
1307 C CB   . ILE   A 90  ? 0.831268 0.449862 0.427365  0.343384    -0.320995   -0.29185    102 ILE   A CB   
1308 C CG1  . ILE   A 90  ? 0.879411 0.536108 0.516979  0.316789    -0.341356   -0.245334   102 ILE   A CG1  
1309 C CG2  . ILE   A 90  ? 0.801141 0.433258 0.473516  0.371963    -0.310972   -0.204918   102 ILE   A CG2  
1310 C CD1  . ILE   A 90  ? 0.854288 0.489497 0.606535  0.363411    -0.364231   -0.285567   102 ILE   A CD1  
1311 H H    . ILE   A 90  ? 0.821394 0.530026 0.438292  0.318699    -0.316026   -0.27119    102 ILE   A H    
1312 H HA   . ILE   A 90  ? 0.747729 0.469444 0.446107  0.288682    -0.291088   -0.211302   102 ILE   A HA   
1313 H HB   . ILE   A 90  ? 0.85745  0.517179 0.437854  0.361475    -0.313907   -0.279708   102 ILE   A HB   
1314 H HG12 . ILE   A 90  ? 0.834359 0.469189 0.524629  0.312172    -0.33789    -0.238708   102 ILE   A HG12 
1315 H HG13 . ILE   A 90  ? 0.881394 0.503102 0.541809  0.33218     -0.355385   -0.272486   102 ILE   A HG13 
1316 H HG21 . ILE   A 90  ? 0.833169 0.44702  0.490371  0.363215    -0.310607   -0.234753   102 ILE   A HG21 
1317 H HG22 . ILE   A 90  ? 0.781661 0.422063 0.461746  0.341278    -0.298845   -0.197241   102 ILE   A HG22 
1318 H HG23 . ILE   A 90  ? 0.806386 0.466637 0.429722  0.368971    -0.287503   -0.223566   102 ILE   A HG23 
1319 H HD11 . ILE   A 90  ? 0.894003 0.533232 0.601034  0.377545    -0.363744   -0.301272   102 ILE   A HD11 
1320 H HD12 . ILE   A 90  ? 0.883963 0.491169 0.644118  0.350685    -0.38192    -0.282268   102 ILE   A HD12 
1321 H HD13 . ILE   A 90  ? 0.848199 0.493001 0.590532  0.355254    -0.351582   -0.263183   102 ILE   A HD13 
1322 N N    . ALA   A 91  ? 0.643248 0.533456 0.380847  0.282289    -0.228114   -0.159885   103 ALA   A N    
1323 C CA   . ALA   A 91  ? 0.666913 0.504592 0.364706  0.284762    -0.163034   -0.14886    103 ALA   A CA   
1324 C C    . ALA   A 91  ? 0.641369 0.446863 0.350893  0.289972    -0.123404   -0.0990407  103 ALA   A C    
1325 O O    . ALA   A 91  ? 0.673498 0.464023 0.3497    0.312366    -0.118251   -0.094147   103 ALA   A O    
1326 C CB   . ALA   A 91  ? 0.629204 0.489492 0.392513  0.282251    -0.139995   -0.109076   103 ALA   A CB   
1327 H H    . ALA   A 91  ? 0.64414  0.498732 0.394539  0.270846    -0.218165   -0.152219   103 ALA   A H    
1328 H HA   . ALA   A 91  ? 0.684403 0.539116 0.363639  0.302246    -0.166221   -0.148623   103 ALA   A HA   
1329 H HB1  . ALA   A 91  ? 0.650768 0.494069 0.392094  0.279413    -0.157421   -0.120121   103 ALA   A HB1  
1330 H HB2  . ALA   A 91  ? 0.612556 0.462322 0.387571  0.263164    -0.142194   -0.103812   103 ALA   A HB2  
1331 H HB3  . ALA   A 91  ? 0.632254 0.503412 0.356985  0.276457    -0.12954    -0.106037   103 ALA   A HB3  
1332 N N    . HIS   A 92  ? 0.671189 0.435208 0.289455  0.280827    -0.11317    -0.0835177  104 HIS   A N    
1333 C CA   . HIS   A 92  ? 0.660381 0.419612 0.285483  0.265506    -0.10831    -0.0442284  104 HIS   A CA   
1334 C C    . HIS   A 92  ? 0.639572 0.418398 0.272141  0.245447    -0.0854683  -0.0373553  104 HIS   A C    
1335 O O    . HIS   A 92  ? 0.720738 0.414617 0.262645  0.255298    -0.0881909  -0.0325996  104 HIS   A O    
1336 C CB   . HIS   A 92  ? 0.673856 0.467309 0.236797  0.276494    -0.0984617  -0.0597212  104 HIS   A CB   
1337 C CG   . HIS   A 92  ? 0.649298 0.495672 0.290909  0.309316    -0.116463   -0.111848   104 HIS   A CG   
1338 N ND1  . HIS   A 92  ? 0.678087 0.526395 0.338842  0.366493    -0.111948   -0.167101   104 HIS   A ND1  
1339 C CD2  . HIS   A 92  ? 0.654315 0.456573 0.328959  0.306412    -0.152266   -0.0993221  104 HIS   A CD2  
1340 C CE1  . HIS   A 92  ? 0.691231 0.561926 0.386878  0.352598    -0.126273   -0.112332   104 HIS   A CE1  
1341 N NE2  . HIS   A 92  ? 0.679278 0.509644 0.359419  0.34849     -0.12217    -0.128339   104 HIS   A NE2  
1342 H H    . HIS   A 92  ? 0.689258 0.46943  0.290282  0.290919    -0.117776   -0.0853454  104 HIS   A H    
1343 H HA   . HIS   A 92  ? 0.641884 0.406028 0.286677  0.259853    -0.105954   -0.0472556  104 HIS   A HA   
1344 H HB2  . HIS   A 92  ? 0.685679 0.499367 0.234786  0.290922    -0.102914   -0.0688429  104 HIS   A HB2  
1345 H HB3  . HIS   A 92  ? 0.650726 0.48309  0.235412  0.2759      -0.0820038  -0.0528217  104 HIS   A HB3  
1346 H HD1  . HIS   A 92  ? 0.253303 0.253303 0.253303  0           0           0           104 HIS   A HD1  
1347 H HD2  . HIS   A 92  ? 0.643738 0.431649 0.332152  0.29616     -0.149339   -0.0947182  104 HIS   A HD2  
1348 H HE1  . HIS   A 92  ? 0.721402 0.587949 0.399974  0.374164    -0.127627   -0.148579   104 HIS   A HE1  
1349 H HE2  . HIS   A 92  ? 0.253303 0.253303 0.253303  0           0           0           104 HIS   A HE2  
1350 N N    . LEU   A 93  ? 0.584289 0.438191 0.269182  0.235785    -0.0842957  -0.0376012  105 LEU   A N    
1351 C CA   . LEU   A 93  ? 0.54915  0.42523  0.228543  0.21989     -0.0523778  -0.0165716  105 LEU   A CA   
1352 C C    . LEU   A 93  ? 0.52678  0.427696 0.2154    0.229812    0.00527223  -0.00988942 105 LEU   A C    
1353 O O    . LEU   A 93  ? 0.566873 0.435684 0.195761  0.194754    -0.0264094  0.0115135   105 LEU   A O    
1354 C CB   . LEU   A 93  ? 0.51004  0.35551  0.208606  0.192217    -0.0592071  -0.0318197  105 LEU   A CB   
1355 C CG   . LEU   A 93  ? 0.513053 0.362631 0.251773  0.208621    -0.0442879  -0.04118    105 LEU   A CG   
1356 C CD1  . LEU   A 93  ? 0.505545 0.326623 0.293254  0.206015    -0.035382   -0.0327006  105 LEU   A CD1  
1357 C CD2  . LEU   A 93  ? 0.547066 0.38593  0.266332  0.210731    -0.0374867  -0.022114   105 LEU   A CD2  
1358 H H    . LEU   A 93  ? 0.578536 0.418516 0.278809  0.232278    -0.0818693  -0.0387653  105 LEU   A H    
1359 H HA   . LEU   A 93  ? 0.561316 0.431131 0.220391  0.224569    -0.0458495  -0.0194678  105 LEU   A HA   
1360 H HB2  . LEU   A 93  ? 0.500185 0.353689 0.218427  0.192621    -0.0520404  -0.0236274  105 LEU   A HB2  
1361 H HB3  . LEU   A 93  ? 0.506261 0.358324 0.207636  0.18563     -0.0394174  -0.0183707  105 LEU   A HB3  
1362 H HG   . LEU   A 93  ? 0.526273 0.358827 0.268671  0.216808    -0.0607829  -0.0463261  105 LEU   A HG   
1363 H HD11 . LEU   A 93  ? 0.491517 0.323903 0.286847  0.195109    -0.034844   -0.0331694  105 LEU   A HD11 
1364 H HD12 . LEU   A 93  ? 0.506354 0.319016 0.295016  0.201823    -0.0461326  -0.0357396  105 LEU   A HD12 
1365 H HD13 . LEU   A 93  ? 0.495658 0.328919 0.272377  0.192698    -0.0245592  -0.0256455  105 LEU   A HD13 
1366 H HD21 . LEU   A 93  ? 0.561928 0.409256 0.261814  0.224536    -0.0451926  -0.0332228  105 LEU   A HD21 
1367 H HD22 . LEU   A 93  ? 0.538744 0.38556  0.253179  0.204088    -0.0295845  -0.0164813  105 LEU   A HD22 
1368 H HD23 . LEU   A 93  ? 0.546912 0.371374 0.274783  0.212954    -0.0528066  -0.0306412  105 LEU   A HD23 
1369 N N    . LEU   A 94  ? 0.554537 0.430582 0.100463  0.219762    0.0234946   0.0107488   106 LEU   A N    
1370 C CA   . LEU   A 94  ? 0.524974 0.455755 0.15645   0.211672    0.04702     0.0286956   106 LEU   A CA   
1371 C C    . LEU   A 94  ? 0.503014 0.442151 0.181884  0.177333    0.0612115   0.0435859   106 LEU   A C    
1372 O O    . LEU   A 94  ? 0.527713 0.465906 0.133699  0.168102    0.0503899   0.039233    106 LEU   A O    
1373 C CB   . LEU   A 94  ? 0.542398 0.476551 0.144227  0.223029    0.0635188   0.0363308   106 LEU   A CB   
1374 C CG   . LEU   A 94  ? 0.520623 0.521225 0.185814  0.196282    0.0816494   0.0612432   106 LEU   A CG   
1375 C CD1  . LEU   A 94  ? 0.495895 0.557942 0.145351  0.184884    0.0693708   0.0639545   106 LEU   A CD1  
1376 C CD2  . LEU   A 94  ? 0.549139 0.601411 0.270837  0.20243     0.12847     0.0668729   106 LEU   A CD2  
1377 H H    . LEU   A 94  ? 0.554911 0.438574 0.124761  0.226613    0.0170321   0.0180067   106 LEU   A H    
1378 H HA   . LEU   A 94  ? 0.51317  0.441594 0.154752  0.206212    0.0459191   0.0238802   106 LEU   A HA   
1379 H HB2  . LEU   A 94  ? 0.55056  0.492175 0.162262  0.238575    0.05469     0.0217476   106 LEU   A HB2  
1380 H HB3  . LEU   A 94  ? 0.554362 0.494393 0.148274  0.221343    0.0628999   0.046192    106 LEU   A HB3  
1381 H HG   . LEU   A 94  ? 0.511099 0.510453 0.174388  0.177008    0.0901428   0.0717352   106 LEU   A HG   
1382 H HD11 . LEU   A 94  ? 0.481968 0.512701 0.155271  0.181296    0.0674248   0.0623568   106 LEU   A HD11 
1383 H HD12 . LEU   A 94  ? 0.490799 0.56995  0.162575  0.182316    0.0822874   0.0686434   106 LEU   A HD12 
1384 H HD13 . LEU   A 94  ? 0.509791 0.564437 0.170645  0.209069    0.0661106   0.0500642   106 LEU   A HD13 
1385 H HD21 . LEU   A 94  ? 0.562706 0.606754 0.241872  0.193571    0.123024    0.0718359   106 LEU   A HD21 
1386 H HD22 . LEU   A 94  ? 0.562694 0.623056 0.250697  0.221992    0.114331    0.0548874   106 LEU   A HD22 
1387 H HD23 . LEU   A 94  ? 0.544289 0.61824  0.247214  0.195007    0.130151    0.0743825   106 LEU   A HD23 
1388 N N    . ILE   A 95  ? 0.427154 0.456222 0.180678  0.161172    0.0517481   0.0353037   107 ILE   A N    
1389 C CA   . ILE   A 95  ? 0.422251 0.434083 0.196395  0.13424     0.0704795   0.0607659   107 ILE   A CA   
1390 C C    . ILE   A 95  ? 0.393035 0.434297 0.220555  0.121403    0.103337    0.0452714   107 ILE   A C    
1391 O O    . ILE   A 95  ? 0.398961 0.468972 0.167398  0.0869084   0.072389    0.077456    107 ILE   A O    
1392 C CB   . ILE   A 95  ? 0.446568 0.399138 0.19974   0.105482    0.089855    0.0348058   107 ILE   A CB   
1393 C CG1  . ILE   A 95  ? 0.446766 0.43345  0.210282  0.106804    0.103069    0.0171493   107 ILE   A CG1  
1394 C CG2  . ILE   A 95  ? 0.454746 0.39217  0.168191  0.0909976   0.108811    0.0359193   107 ILE   A CG2  
1395 C CD1  . ILE   A 95  ? 0.437913 0.387937 0.206417  0.0860269   0.0758533   0.0215641   107 ILE   A CD1  
1396 H H    . ILE   A 95  ? 0.431678 0.459628 0.184671  0.16444     0.0581058   0.0418951   107 ILE   A H    
1397 H HA   . ILE   A 95  ? 0.432095 0.422341 0.197493  0.13595     0.07333     0.0554363   107 ILE   A HA   
1398 H HB   . ILE   A 95  ? 0.432114 0.416574 0.193595  0.106414    0.0916837   0.0355249   107 ILE   A HB   
1399 H HG12 . ILE   A 95  ? 0.458314 0.407114 0.210542  0.103046    0.0924545   0.0208756   107 ILE   A HG12 
1400 H HG13 . ILE   A 95  ? 0.459164 0.430012 0.206787  0.120747    0.0877739   0.0169069   107 ILE   A HG13 
1401 H HG21 . ILE   A 95  ? 0.440628 0.371462 0.181155  0.0863115   0.102107    0.0328979   107 ILE   A HG21 
1402 H HG22 . ILE   A 95  ? 0.459899 0.385682 0.184965  0.0908712   0.105837    0.0395445   107 ILE   A HG22 
1403 H HG23 . ILE   A 95  ? 0.447136 0.39919  0.1797    0.0786832   0.113075    0.0402695   107 ILE   A HG23 
1404 H HD11 . ILE   A 95  ? 0.432551 0.404245 0.20972   0.0927661   0.0793864   0.0198714   107 ILE   A HD11 
1405 H HD12 . ILE   A 95  ? 0.439668 0.383987 0.217241  0.0986986   0.0691186   0.0135614   107 ILE   A HD12 
1406 H HD13 . ILE   A 95  ? 0.428263 0.3832   0.210566  0.077762    0.0848089   0.0226559   107 ILE   A HD13 
1407 N N    . LYS   A 96  ? 0.411584 0.452972 0.20719   0.116018    0.111461    0.0806809   108 LYS   A N    
1408 C CA   . LYS   A 96  ? 0.419074 0.445157 0.203544  0.0902707   0.13294     0.078154    108 LYS   A CA   
1409 C C    . LYS   A 96  ? 0.423528 0.419847 0.207759  0.0615997   0.120497    0.0841128   108 LYS   A C    
1410 O O    . LYS   A 96  ? 0.393699 0.411274 0.237839  0.0876984   0.0881931   0.0590822   108 LYS   A O    
1411 C CB   . LYS   A 96  ? 0.464185 0.46171  0.284748  0.0466101   0.133537    0.102748    108 LYS   A CB   
1412 C CG   . LYS   A 96  ? 0.478406 0.521467 0.292442  0.0703687   0.132396    0.126168    108 LYS   A CG   
1413 C CD   . LYS   A 96  ? 0.541429 0.562657 0.322932  0.0397977   0.134805    0.148044    108 LYS   A CD   
1414 C CE   . LYS   A 96  ? 0.576157 0.637714 0.332587  0.0270275   0.161367    0.207272    108 LYS   A CE   
1415 N NZ   . LYS   A 96  ? 0.64272  0.682807 0.413405  0.00661     0.144768    0.219727    108 LYS   A NZ   
1416 H H    . LYS   A 96  ? 0.420638 0.436679 0.210939  0.118679    0.108796    0.0755276   108 LYS   A H    
1417 H HA   . LYS   A 96  ? 0.415103 0.474953 0.215853  0.087403    0.131038    0.0867618   108 LYS   A HA   
1418 H HB2  . LYS   A 96  ? 0.4689   0.441669 0.275074  0.0566265   0.129149    0.100628    108 LYS   A HB2  
1419 H HB3  . LYS   A 96  ? 0.460334 0.471074 0.281697  0.0394743   0.13855     0.106567    108 LYS   A HB3  
1420 H HG2  . LYS   A 96  ? 0.475176 0.546576 0.290338  0.0664429   0.138134    0.124416    108 LYS   A HG2  
1421 H HG3  . LYS   A 96  ? 0.486691 0.516214 0.282817  0.0820448   0.126551    0.117678    108 LYS   A HG3  
1422 H HD2  . LYS   A 96  ? 0.543597 0.537127 0.327716  0.0401389   0.133022    0.157042    108 LYS   A HD2  
1423 H HD3  . LYS   A 96  ? 0.535585 0.564283 0.336876  0.0196853   0.144527    0.162167    108 LYS   A HD3  
1424 H HE2  . LYS   A 96  ? 0.574668 0.66617  0.340263  0.0299206   0.160306    0.194335    108 LYS   A HE2  
1425 H HE3  . LYS   A 96  ? 0.581899 0.638368 0.328938  0.0514473   0.146949    0.186867    108 LYS   A HE3  
1426 H HZ1  . LYS   A 96  ? 0.632488 0.673655 0.413459  -0.00846784 0.155803    0.230376    108 LYS   A HZ1  
1427 H HZ2  . LYS   A 96  ? 0.642563 0.648222 0.400962  0.0104744   0.142868    0.222883    108 LYS   A HZ2  
1428 H HZ3  . LYS   A 96  ? 0.650454 0.711218 0.405922  0.0128451   0.152153    0.234845    108 LYS   A HZ3  
1429 N N    . PRO   A 97  ? 0.42156  0.459195 0.247237  0.0438032   0.116368    0.101338    109 PRO   A N    
1430 C CA   . PRO   A 97  ? 0.420324 0.45404  0.245171  0.0157947   0.131228    0.0698503   109 PRO   A CA   
1431 C C    . PRO   A 97  ? 0.405377 0.409248 0.28929   -0.00025228 0.110088    0.0702095   109 PRO   A C    
1432 O O    . PRO   A 97  ? 0.432425 0.410614 0.231051  -0.0163641  0.0963693   0.0554985   109 PRO   A O    
1433 C CB   . PRO   A 97  ? 0.421709 0.481211 0.292766  0.00676398  0.120369    0.0600599   109 PRO   A CB   
1434 C CG   . PRO   A 97  ? 0.43773  0.51057  0.273859  -0.0158624  0.122806    0.0921823   109 PRO   A CG   
1435 C CD   . PRO   A 97  ? 0.434708 0.505825 0.281636  0.0354323   0.106156    0.116951    109 PRO   A CD   
1436 H HA   . PRO   A 97  ? 0.402888 0.444245 0.248063  0.0274974   0.115355    0.0687493   109 PRO   A HA   
1437 H HB2  . PRO   A 97  ? 0.433443 0.476196 0.292675  -0.0170442  0.125955    0.0619931   109 PRO   A HB2  
1438 H HB3  . PRO   A 97  ? 0.414599 0.491077 0.275     -0.00410384 0.120607    0.0614496   109 PRO   A HB3  
1439 H HG2  . PRO   A 97  ? 0.446705 0.518144 0.300523  -0.0206457  0.125351    0.0984607   109 PRO   A HG2  
1440 H HG3  . PRO   A 97  ? 0.431076 0.535428 0.281005  -0.00569217 0.120689    0.0934824   109 PRO   A HG3  
1441 H HD2  . PRO   A 97  ? 0.448665 0.512965 0.282897  0.025685    0.119366    0.118848    109 PRO   A HD2  
1442 H HD3  . PRO   A 97  ? 0.428927 0.519622 0.263751  0.0420569   0.112786    0.111582    109 PRO   A HD3  
1443 N N    . GLU   A 98  ? 0.429576 0.425547 0.31368   0.0179609   0.112941    0.0907071   110 GLU   A N    
1444 C CA   . GLU   A 98  ? 0.466728 0.379158 0.313412  0.0233224   0.125661    0.0945762   110 GLU   A CA   
1445 C C    . GLU   A 98  ? 0.424687 0.354852 0.266883  0.0392464   0.11674     0.0675513   110 GLU   A C    
1446 O O    . GLU   A 98  ? 0.414829 0.357521 0.316702  0.0255507   0.136611    0.0597059   110 GLU   A O    
1447 C CB   . GLU   A 98  ? 0.487354 0.379367 0.360719  -0.001587   0.147511    0.113049    110 GLU   A CB   
1448 C CG   . GLU   A 98  ? 0.554377 0.45739  0.452022  -0.0239189  0.143784    0.0992496   110 GLU   A CG   
1449 C CD   . GLU   A 98  ? 0.541155 0.501709 0.474076  -0.014474   0.136105    0.0803516   110 GLU   A CD   
1450 O OE1  . GLU   A 98  ? 0.529133 0.42464  0.369162  0.0166352   0.181226    0.0953958   110 GLU   A OE1  
1451 O OE2  . GLU   A 98  ? 0.554569 0.615392 0.619603  -0.0738519  0.136667    0.0721836   110 GLU   A OE2  
1452 H H    . GLU   A 98  ? 0.442058 0.428885 0.313061  0.0181775   0.116624    0.100144    110 GLU   A H    
1453 H HA   . GLU   A 98  ? 0.456605 0.388194 0.323447  0.00361495  0.129069    0.0800782   110 GLU   A HA   
1454 H HB2  . GLU   A 98  ? 0.497852 0.392671 0.357876  0.0161989   0.138691    0.117104    110 GLU   A HB2  
1455 H HB3  . GLU   A 98  ? 0.504927 0.371714 0.386981  0.00688715  0.13944     0.10109     110 GLU   A HB3  
1456 H HG2  . GLU   A 98  ? 0.560115 0.449746 0.47038   -0.0280093  0.14457     0.101999    110 GLU   A HG2  
1457 H HG3  . GLU   A 98  ? 0.535037 0.445904 0.450406  -0.0328718  0.145351    0.0853968   110 GLU   A HG3  
1458 N N    . TYR   A 99  ? 0.408011 0.365409 0.220884  0.0600479   0.125609    0.056257    111 TYR   A N    
1459 C CA   . TYR   A 99  ? 0.428038 0.358623 0.209554  0.0444515   0.0917112   0.0488995   111 TYR   A CA   
1460 C C    . TYR   A 99  ? 0.411804 0.356534 0.202718  0.0255498   0.0987898   0.0431746   111 TYR   A C    
1461 O O    . TYR   A 99  ? 0.428074 0.350257 0.156389  0.0458765   0.0822868   0.0469695   111 TYR   A O    
1462 C CB   . TYR   A 99  ? 0.441723 0.36142  0.220545  0.0650659   0.0613435   0.064213    111 TYR   A CB   
1463 C CG   . TYR   A 99  ? 0.467758 0.340423 0.273714  0.06041     0.0967552   0.0733374   111 TYR   A CG   
1464 C CD1  . TYR   A 99  ? 0.458836 0.394346 0.295397  0.0679904   0.116475    0.0987337   111 TYR   A CD1  
1465 C CD2  . TYR   A 99  ? 0.472818 0.360104 0.229473  0.0728112   0.113225    0.0919247   111 TYR   A CD2  
1466 C CE1  . TYR   A 99  ? 0.485477 0.385498 0.307255  0.0518184   0.103966    0.103925    111 TYR   A CE1  
1467 C CE2  . TYR   A 99  ? 0.492384 0.32594  0.341365  0.0692588   0.0992111   0.0796634   111 TYR   A CE2  
1468 C CZ   . TYR   A 99  ? 0.507588 0.366286 0.329397  0.0632867   0.10165     0.111815    111 TYR   A CZ   
1469 O OH   . TYR   A 99  ? 0.538508 0.370001 0.362739  0.0558712   0.103278    0.123737    111 TYR   A OH   
1470 H H    . TYR   A 99  ? 0.405935 0.378166 0.214125  0.0596667   0.121819    0.0646776   111 TYR   A H    
1471 H HA   . TYR   A 99  ? 0.4303   0.346302 0.231514  0.0425688   0.0959281   0.044666    111 TYR   A HA   
1472 H HB2  . TYR   A 99  ? 0.444358 0.372902 0.21403   0.0658033   0.0730395   0.0686339   111 TYR   A HB2  
1473 H HB3  . TYR   A 99  ? 0.436658 0.345117 0.222438  0.073036    0.0671077   0.0579849   111 TYR   A HB3  
1474 H HD1  . TYR   A 99  ? 0.456089 0.399492 0.276993  0.0572953   0.114572    0.0973103   111 TYR   A HD1  
1475 H HD2  . TYR   A 99  ? 0.458476 0.330135 0.262628  0.0739195   0.102217    0.0736964   111 TYR   A HD2  
1476 H HE1  . TYR   A 99  ? 0.502135 0.405724 0.318744  0.0474818   0.11255     0.120635    111 TYR   A HE1  
1477 H HE2  . TYR   A 99  ? 0.498145 0.328022 0.334631  0.077344    0.0958859   0.0860526   111 TYR   A HE2  
1478 H HH   . TYR   A 99  ? 0.253303 0.253303 0.253303  0           0           0           111 TYR   A HH   
1479 N N    . ALA   A 100 ? 0.427139 0.355409 0.19665   0.00967338  0.0921292   0.055046    112 ALA   A N    
1480 C CA   . ALA   A 100 ? 0.411898 0.366126 0.147094  0.0168142   0.103617    0.0415202   112 ALA   A CA   
1481 C C    . ALA   A 100 ? 0.403208 0.364926 0.148361  0.00435225  0.107737    0.0335065   112 ALA   A C    
1482 O O    . ALA   A 100 ? 0.391275 0.403638 0.182082  0.0359448   0.132695    0.0287053   112 ALA   A O    
1483 C CB   . ALA   A 100 ? 0.40677  0.422508 0.165708  0.0543972   0.0970217   0.0645005   112 ALA   A CB   
1484 H H    . ALA   A 100 ? 0.425759 0.370628 0.192628  0.0035755   0.104084    0.0508356   112 ALA   A H    
1485 H HA   . ALA   A 100 ? 0.405569 0.354304 0.16091   0.0276489   0.0948563   0.0440378   112 ALA   A HA   
1486 H HB1  . ALA   A 100 ? 0.410618 0.402213 0.162479  0.0610618   0.0943904   0.0622484   112 ALA   A HB1  
1487 H HB2  . ALA   A 100 ? 0.414755 0.425113 0.159694  0.042677    0.102706    0.0621842   112 ALA   A HB2  
1488 H HB3  . ALA   A 100 ? 0.402274 0.416254 0.157195  0.0443133   0.0942106   0.0598847   112 ALA   A HB3  
1489 N N    . TYR   A 101 ? 0.394185 0.396289 0.170229  -0.00713877 0.119291    0.00730977  113 TYR   A N    
1490 C CA   . TYR   A 101 ? 0.396803 0.427793 0.157797  -0.00874346 0.100723    0.00104142  113 TYR   A CA   
1491 C C    . TYR   A 101 ? 0.401958 0.432918 0.211456  -0.0245149  0.103419    0.00454244  113 TYR   A C    
1492 O O    . TYR   A 101 ? 0.454072 0.420005 0.201571  -0.0652872  0.0651376   -0.0192417  113 TYR   A O    
1493 C CB   . TYR   A 101 ? 0.364008 0.457053 0.195739  -0.00417468 0.0727268   0.00500488  113 TYR   A CB   
1494 C CG   . TYR   A 101 ? 0.361846 0.446201 0.172759  0.0107762   0.073862    0.0094347   113 TYR   A CG   
1495 C CD1  . TYR   A 101 ? 0.370929 0.448519 0.0962433 0.021041    0.0708325   -0.016948   113 TYR   A CD1  
1496 C CD2  . TYR   A 101 ? 0.381895 0.42394  0.150931  0.0394877   0.0476885   0.0146933   113 TYR   A CD2  
1497 C CE1  . TYR   A 101 ? 0.367096 0.430919 0.116824  0.00947575  0.0606711   -0.00028143 113 TYR   A CE1  
1498 C CE2  . TYR   A 101 ? 0.354258 0.401396 0.157738  0.0540604   0.0428663   -0.00579885 113 TYR   A CE2  
1499 C CZ   . TYR   A 101 ? 0.369202 0.401979 0.155152  0.0386322   0.0617324   0.00865205  113 TYR   A CZ   
1500 O OH   . TYR   A 101 ? 0.361229 0.38328  0.154619  0.0494687   0.0654444   0.0472598   113 TYR   A OH   
1501 H H    . TYR   A 101 ? 0.391834 0.404493 0.157217  0.00418083  0.111465    0.0218755   113 TYR   A H    
1502 H HA   . TYR   A 101 ? 0.39462  0.419538 0.180859  -0.0136434  0.104511    -0.00593875 113 TYR   A HA   
1503 H HB2  . TYR   A 101 ? 0.369372 0.464682 0.181767  0.00042591  0.0756668   0.0139396   113 TYR   A HB2  
1504 H HB3  . TYR   A 101 ? 0.377903 0.477468 0.187237  -0.018948   0.0815962   0.00375834  113 TYR   A HB3  
1505 H HD1  . TYR   A 101 ? 0.378004 0.454124 0.114363  -0.00019311 0.078363    -0.0248705  113 TYR   A HD1  
1506 H HD2  . TYR   A 101 ? 0.370851 0.42554  0.157935  0.0466963   0.0490533   0.0113156   113 TYR   A HD2  
1507 H HE1  . TYR   A 101 ? 0.372768 0.439688 0.125845  0.00857601  0.0682288   -0.00416327 113 TYR   A HE1  
1508 H HE2  . TYR   A 101 ? 0.361471 0.391621 0.156371  0.065069    0.0384655   0.00381599  113 TYR   A HE2  
1509 H HH   . TYR   A 101 ? 0.253303 0.253303 0.253303  0           0           0           113 TYR   A HH   
1510 N N    . GLY   A 102 ? 0.397788 0.417937 0.206636  -0.0251552  0.0831548   0.0202359   114 GLY   A N    
1511 C CA   . GLY   A 102 ? 0.442926 0.432821 0.202328  -0.0396117  0.0964209   0.00517658  114 GLY   A CA   
1512 C C    . GLY   A 102 ? 0.450625 0.486866 0.221934  -0.0593091  0.108061    -0.0035703  114 GLY   A C    
1513 O O    . GLY   A 102 ? 0.455792 0.479574 0.261508  -0.0403077  0.0725513   -0.0140836  114 GLY   A O    
1514 H H    . GLY   A 102 ? 0.401099 0.411758 0.200988  -0.0104964  0.0893456   0.024039    114 GLY   A H    
1515 H HA2  . GLY   A 102 ? 0.443211 0.424772 0.215793  -0.0364952  0.0992105   0.0142621   114 GLY   A HA2  
1516 H HA3  . GLY   A 102 ? 0.445804 0.42948  0.221428  -0.0469079  0.100345    -0.00797434 114 GLY   A HA3  
1517 N N    . SER   A 103 ? 0.46837  0.487425 0.274253  -0.0822994  0.109551    0.00639242  115 SER   A N    
1518 C CA   . SER   A 103 ? 0.476111 0.522701 0.336163  -0.0998363  0.12657     0.00833656  115 SER   A CA   
1519 C C    . SER   A 103 ? 0.469617 0.542281 0.281831  -0.086267   0.121001    -0.0200658  115 SER   A C    
1520 O O    . SER   A 103 ? 0.461067 0.584625 0.313763  -0.0910472  0.123486    -0.0674304  115 SER   A O    
1521 C CB   . SER   A 103 ? 0.534938 0.536474 0.381543  -0.118491   0.127602    -0.00337923 115 SER   A CB   
1522 O OG   . SER   A 103 ? 0.567319 0.499292 0.497078  -0.094955   0.084464    -0.032356   115 SER   A OG   
1523 H H    . SER   A 103 ? 0.480638 0.474098 0.292379  -0.0819988  0.116833    -0.00552269 115 SER   A H    
1524 H HA   . SER   A 103 ? 0.472427 0.534948 0.31413   -0.0920097  0.120126    0.0178412   115 SER   A HA   
1525 H HB2  . SER   A 103 ? 0.53733  0.55949  0.409302  -0.128838   0.115829    -0.00442667 115 SER   A HB2  
1526 H HB3  . SER   A 103 ? 0.534991 0.520998 0.402773  -0.112212   0.122711    0.0119056   115 SER   A HB3  
1527 H HG   . SER   A 103 ? 0.253303 0.253303 0.253303  0           0           0           115 SER   A HG   
1528 N N    . ALA   A 104 ? 0.4893   0.514609 0.312234  -0.0739336  0.110837    -0.0412949  116 ALA   A N    
1529 C CA   . ALA   A 104 ? 0.493736 0.540244 0.290471  -0.0877061  0.099795    -0.0390554  116 ALA   A CA   
1530 C C    . ALA   A 104 ? 0.455916 0.53816  0.221432  -0.0646186  0.0779929   -0.0429239  116 ALA   A C    
1531 O O    . ALA   A 104 ? 0.50117  0.541326 0.185016  -0.0958654  0.0464823   -0.0236476  116 ALA   A O    
1532 C CB   . ALA   A 104 ? 0.53706  0.535997 0.247255  -0.0756398  0.121187    -0.0803947  116 ALA   A CB   
1533 H H    . ALA   A 104 ? 0.489569 0.494747 0.305399  -0.0718431  0.117358    -0.0434631  116 ALA   A H    
1534 H HA   . ALA   A 104 ? 0.508188 0.569933 0.287458  -0.0986436  0.0979227   -0.0545293  116 ALA   A HA   
1535 H HB1  . ALA   A 104 ? 0.545698 0.534691 0.281532  -0.08747    0.120936    -0.0893002  116 ALA   A HB1  
1536 H HB2  . ALA   A 104 ? 0.517265 0.508819 0.252176  -0.0640965  0.1207      -0.0683126  116 ALA   A HB2  
1537 H HB3  . ALA   A 104 ? 0.532314 0.56146  0.249686  -0.0856119  0.114504    -0.0752484  116 ALA   A HB3  
1538 N N    . GLY   A 105 ? 0.428613 0.519976 0.185972  -0.0544601  0.100765    0.0125055   117 GLY   A N    
1539 C CA   . GLY   A 105 ? 0.40906  0.524041 0.206998  -0.028178   0.0922462   0.00184051  117 GLY   A CA   
1540 C C    . GLY   A 105 ? 0.436568 0.526786 0.160656  -0.030442   0.0691188   0.00614165  117 GLY   A C    
1541 O O    . GLY   A 105 ? 0.433781 0.503482 0.196393  -0.0146005  0.0635534   0.0510185   117 GLY   A O    
1542 H H    . GLY   A 105 ? 0.428697 0.491154 0.198877  -0.0416897  0.0968446   -0.00153142 117 GLY   A H    
1543 H HA2  . GLY   A 105 ? 0.406997 0.500086 0.192301  -0.0151526  0.0901133   0.0169284   117 GLY   A HA2  
1544 H HA3  . GLY   A 105 ? 0.411891 0.546169 0.193285  -0.03285    0.0812959   0.017999    117 GLY   A HA3  
1545 N N    . SER   A 106 ? 0.41595  0.538239 0.132803  0.00192158  0.0828566   0.0111793   118 SER   A N    
1546 C CA   . SER   A 106 ? 0.408177 0.549626 0.17468   0.00317667  0.0693365   0.0172681   118 SER   A CA   
1547 C C    . SER   A 106 ? 0.399089 0.582171 0.175598  -6.393e-05  0.0606721   0.0261037   118 SER   A C    
1548 O O    . SER   A 106 ? 0.413726 0.576637 0.110809  -0.025875   0.0406959   0.0224036   118 SER   A O    
1549 C CB   . SER   A 106 ? 0.374209 0.510393 0.196177  0.0554187   0.0825685   0.0450595   118 SER   A CB   
1550 O OG   . SER   A 106 ? 0.394029 0.530407 0.232859  0.065158    0.0834892   0.0913992   118 SER   A OG   
1551 H H    . SER   A 106 ? 0.403136 0.539265 0.149306  0.00838683  0.0727834   0.020879    118 SER   A H    
1552 H HA   . SER   A 106 ? 0.417383 0.567407 0.171796  -0.0059606  0.0800625   0.0091691   118 SER   A HA   
1553 H HB2  . SER   A 106 ? 0.379611 0.487569 0.196024  0.0545858   0.0876939   0.0371864   118 SER   A HB2  
1554 H HB3  . SER   A 106 ? 0.37437  0.495708 0.196259  0.0651693   0.0732678   0.0561591   118 SER   A HB3  
1555 H HG   . SER   A 106 ? 0.253303 0.253303 0.253303  0           0           0           118 SER   A HG   
1556 N N    . LEU   A 107 ? 0.419406 0.607297 0.134998  -0.016102   0.0576904   -0.00507055 119 LEU   A N    
1557 C CA   . LEU   A 107 ? 0.432805 0.643538 0.141127  -0.0241712  0.0501703   0.035158    119 LEU   A CA   
1558 C C    . LEU   A 107 ? 0.419094 0.670953 0.157726  -0.0227091  0.0583424   0.0645904   119 LEU   A C    
1559 O O    . LEU   A 107 ? 0.434669 0.676487 0.143154  -0.0714107  0.0810271   0.0260809   119 LEU   A O    
1560 C CB   . LEU   A 107 ? 0.470662 0.713289 0.142887  -0.0583029  0.0247869   0.0448205   119 LEU   A CB   
1561 C CG   . LEU   A 107 ? 0.505638 0.743254 0.198017  -0.0818118  0.029416    0.0192183   119 LEU   A CG   
1562 C CD1  . LEU   A 107 ? 0.509283 0.740755 0.1697    -0.0666643  0.00478014  0.0252785   119 LEU   A CD1  
1563 C CD2  . LEU   A 107 ? 0.525714 0.705086 0.318481  -0.0804954  0.0288069   0.026348    119 LEU   A CD2  
1564 H H    . LEU   A 107 ? 0.428214 0.609483 0.146447  -0.0286272  0.0668188   -0.00968905 119 LEU   A H    
1565 H HA   . LEU   A 107 ? 0.418921 0.631054 0.147994  -0.00667673 0.0446369   0.0434943   119 LEU   A HA   
1566 H HB2  . LEU   A 107 ? 0.483776 0.724131 0.15124   -0.0746533  0.0357526   0.0220163   119 LEU   A HB2  
1567 H HB3  . LEU   A 107 ? 0.475657 0.746589 0.156263  -0.060733   0.0140748   0.0519527   119 LEU   A HB3  
1568 H HG   . LEU   A 107 ? 0.511508 0.765243 0.206375  -0.0921725  0.0208809   0.0197502   119 LEU   A HG   
1569 H HD11 . LEU   A 107 ? 0.508635 0.770672 0.188428  -0.0659082  -0.00359269 0.0405403   119 LEU   A HD11 
1570 H HD12 . LEU   A 107 ? 0.496929 0.741448 0.188603  -0.0621848  0.0119266   0.0263066   119 LEU   A HD12 
1571 H HD13 . LEU   A 107 ? 0.493427 0.708112 0.174062  -0.0498056  0.00991114  0.0314975   119 LEU   A HD13 
1572 H HD21 . LEU   A 107 ? 0.530909 0.718392 0.27923   -0.0966555  0.03655     0.00791418  119 LEU   A HD21 
1573 H HD22 . LEU   A 107 ? 0.510114 0.675752 0.26359   -0.0637458  0.0370411   0.0216189   119 LEU   A HD22 
1574 H HD23 . LEU   A 107 ? 0.514908 0.699459 0.288773  -0.0723668  0.0281446   0.0176785   119 LEU   A HD23 
1575 N N    . PRO   A 108 ? 0.427745 0.693192 0.143135  -0.00836001 0.0390476   0.102568    120 PRO   A N    
1576 C CA   . PRO   A 108 ? 0.425234 0.681271 0.161674  0.0218246   0.0248922   0.120048    120 PRO   A CA   
1577 C C    . PRO   A 108 ? 0.427276 0.606113 0.180015  0.0527931   0.0517367   0.127131    120 PRO   A C    
1578 O O    . PRO   A 108 ? 0.446643 0.625462 0.212258  0.0887763   0.0829448   0.13572     120 PRO   A O    
1579 C CB   . PRO   A 108 ? 0.453497 0.727125 0.19651   0.0281455   0.00291991  0.139928    120 PRO   A CB   
1580 C CG   . PRO   A 108 ? 0.478239 0.762944 0.222044  0.017827    -0.00308561 0.158137    120 PRO   A CG   
1581 C CD   . PRO   A 108 ? 0.451871 0.744679 0.147423  -1.5e-07    -0.00241942 0.141675    120 PRO   A CD   
1582 H HA   . PRO   A 108 ? 0.426139 0.688566 0.166734  0.0149021   0.0339414   0.107015    120 PRO   A HA   
1583 H HB2  . PRO   A 108 ? 0.447364 0.712476 0.21499   0.0466737   -0.00601965 0.153873    120 PRO   A HB2  
1584 H HB3  . PRO   A 108 ? 0.455237 0.761543 0.207094  0.0211547   -0.00368367 0.142971    120 PRO   A HB3  
1585 H HG2  . PRO   A 108 ? 0.477254 0.762935 0.215368  0.0219094   -0.0162745  0.176761    120 PRO   A HG2  
1586 H HG3  . PRO   A 108 ? 0.488086 0.808806 0.208806  -0.00022207 -0.00949192 0.161557    120 PRO   A HG3  
1587 H HD2  . PRO   A 108 ? 0.454196 0.719658 0.162203  0.00372934  0.00998228  0.144181    120 PRO   A HD2  
1588 H HD3  . PRO   A 108 ? 0.469771 0.771503 0.153303  -0.0202306  0.0133038   0.128681    120 PRO   A HD3  
1589 N N    . LYS   A 109 ? 0.451331 0.561761 0.184037  0.0391416   0.0350042   0.141043    121 LYS   A N    
1590 C CA   . LYS   A 109 ? 0.484177 0.531251 0.209748  0.0461253   0.0391018   0.117947    121 LYS   A CA   
1591 C C    . LYS   A 109 ? 0.494289 0.512452 0.221053  0.0461393   0.0692732   0.105281    121 LYS   A C    
1592 O O    . LYS   A 109 ? 0.525821 0.507416 0.207833  0.0402105   0.0437515   0.0830113   121 LYS   A O    
1593 C CB   . LYS   A 109 ? 0.495058 0.498592 0.26854   0.0501071   0.0566661   0.182753    121 LYS   A CB   
1594 H H    . LYS   A 109 ? 0.46212  0.572543 0.18      0.026009    0.0442347   0.130588    121 LYS   A H    
1595 H HA   . LYS   A 109 ? 0.485794 0.545988 0.237577  0.057146    0.0300439   0.147687    121 LYS   A HA   
1596 H HB2  . LYS   A 109 ? 0.253303 0.253303 0.253303  0           0           0           121 LYS   A HB2  
1597 H HB3  . LYS   A 109 ? 0.253303 0.253303 0.253303  0           0           0           121 LYS   A HB3  
1598 N N    . ILE   A 110 ? 0.501145 0.496082 0.164878  0.023436    0.085107    0.0839572   122 ILE   A N    
1599 C CA   . ILE   A 110 ? 0.460765 0.499953 0.1556    0.0191176   0.0781728   0.0704914   122 ILE   A CA   
1600 C C    . ILE   A 110 ? 0.402777 0.549562 0.199552  0.0169546   0.0683723   0.0615442   122 ILE   A C    
1601 O O    . ILE   A 110 ? 0.364922 0.561576 0.194528  -0.0194627  0.0846889   0.0267789   122 ILE   A O    
1602 C CB   . ILE   A 110 ? 0.458398 0.49922  0.153352  -0.0074212  0.086137    0.0739665   122 ILE   A CB   
1603 C CG1  . ILE   A 110 ? 0.546674 0.505063 0.156156  -0.0118371  0.079062    0.0978312   122 ILE   A CG1  
1604 C CG2  . ILE   A 110 ? 0.465736 0.496756 0.161356  -0.0109907  0.0764755   0.0783795   122 ILE   A CG2  
1605 C CD1  . ILE   A 110 ? 0.557009 0.463473 0.200256  0.0238918   0.0331821   0.0968319   122 ILE   A CD1  
1606 H H    . ILE   A 110 ? 0.494196 0.512673 0.162363  0.00916485  0.0863566   0.0783683   122 ILE   A H    
1607 H HA   . ILE   A 110 ? 0.45046  0.503372 0.173353  0.0388401   0.0748979   0.0729884   122 ILE   A HA   
1608 H HB   . ILE   A 110 ? 0.475995 0.502436 0.148905  -0.0212765  0.0893472   0.0682544   122 ILE   A HB   
1609 H HG12 . ILE   A 110 ? 0.532036 0.505275 0.159961  -0.0159429  0.068394    0.103061    122 ILE   A HG12 
1610 H HG13 . ILE   A 110 ? 0.53082  0.472105 0.157979  -0.011111   0.0805529   0.0828585   122 ILE   A HG13 
1611 H HG21 . ILE   A 110 ? 0.461517 0.468149 0.156022  -0.00383218 0.0849482   0.0689506   122 ILE   A HG21 
1612 H HG22 . ILE   A 110 ? 0.461309 0.498795 0.168574  0.00574242  0.0747018   0.0809576   122 ILE   A HG22 
1613 H HG23 . ILE   A 110 ? 0.463529 0.506017 0.16017   -0.0183465  0.08731     0.0706517   122 ILE   A HG23 
1614 H HD11 . ILE   A 110 ? 0.549044 0.46087  0.195484  0.0308833   0.0478534   0.08869     122 ILE   A HD11 
1615 H HD12 . ILE   A 110 ? 0.555959 0.459141 0.199954  0.024599    0.0375312   0.100833    122 ILE   A HD12 
1616 H HD13 . ILE   A 110 ? 0.55436  0.493107 0.203788  0.0252784   0.0353727   0.106364    122 ILE   A HD13 
1617 N N    . PRO   A 111 ? 0.403456 0.582216 0.17482   0.0379119   0.0813072   0.0182051   123 PRO   A N    
1618 C CA   . PRO   A 111 ? 0.374757 0.630509 0.160701  0.0040486   0.0848991   0.0226787   123 PRO   A CA   
1619 C C    . PRO   A 111 ? 0.388574 0.619181 0.151257  -0.0197598  0.107451    0.0344779   123 PRO   A C    
1620 O O    . PRO   A 111 ? 0.429253 0.555637 0.150685  -0.0196502  0.096486    -0.00936744 123 PRO   A O    
1621 C CB   . PRO   A 111 ? 0.39244  0.672741 0.184995  0.0174067   0.0687962   0.027925    123 PRO   A CB   
1622 C CG   . PRO   A 111 ? 0.381211 0.652676 0.17831   0.0666988   0.100621    0.00146192  123 PRO   A CG   
1623 C CD   . PRO   A 111 ? 0.396979 0.58831  0.171726  0.0634541   0.0727473   0.0333993   123 PRO   A CD   
1624 H HA   . PRO   A 111 ? 0.393805 0.652874 0.165276  -0.0107133  0.077683    0.0247235   123 PRO   A HA   
1625 H HB2  . PRO   A 111 ? 0.38625  0.677829 0.187909  0.0151542   0.0877455   0.020036    123 PRO   A HB2  
1626 H HB3  . PRO   A 111 ? 0.386625 0.70069  0.192181  0.0176968   0.0686139   0.0297008   123 PRO   A HB3  
1627 H HG2  . PRO   A 111 ? 0.384309 0.633339 0.185682  0.0674727   0.0979022   0.00961     123 PRO   A HG2  
1628 H HG3  . PRO   A 111 ? 0.382629 0.66563  0.198156  0.0748973   0.0813819   0.0220893   123 PRO   A HG3  
1629 H HD2  . PRO   A 111 ? 0.391418 0.566614 0.168744  0.0778506   0.08077     0.0209435   123 PRO   A HD2  
1630 H HD3  . PRO   A 111 ? 0.396765 0.599957 0.184301  0.0740289   0.0665841   0.0364282   123 PRO   A HD3  
1631 N N    . SER   A 112 ? 0.398259 0.618781 0.178373  -0.0321291  0.0627956   0.048448    124 SER   A N    
1632 C CA   . SER   A 112 ? 0.438668 0.611953 0.209454  -0.0483485  0.0878762   0.0489      124 SER   A CA   
1633 C C    . SER   A 112 ? 0.426258 0.594184 0.2027    -0.0572637  0.0748342   0.0327629   124 SER   A C    
1634 O O    . SER   A 112 ? 0.457082 0.574465 0.288146  -0.0341024  0.0700072   0.0638418   124 SER   A O    
1635 C CB   . SER   A 112 ? 0.510427 0.652235 0.226695  -0.0763813  0.0436672   0.0499954   124 SER   A CB   
1636 O OG   . SER   A 112 ? 0.636686 0.72912  0.329879  -0.0324409  0.0333437   -0.00215228 124 SER   A OG   
1637 H H    . SER   A 112 ? 0.402994 0.655677 0.181454  -0.0449545  0.0643533   0.0478138   124 SER   A H    
1638 H HA   . SER   A 112 ? 0.440415 0.586991 0.196919  -0.0533558  0.0777573   0.0335834   124 SER   A HA   
1639 H HB2  . SER   A 112 ? 0.50994  0.686657 0.251046  -0.065536   0.0499679   0.0523123   124 SER   A HB2  
1640 H HB3  . SER   A 112 ? 0.52024  0.641924 0.252882  -0.0722099  0.060204    0.0440533   124 SER   A HB3  
1641 H HG   . SER   A 112 ? 0.253303 0.253303 0.253303  0           0           0           124 SER   A HG   
1642 N N    . ASN   A 113 ? 0.419851 0.565636 0.173537  -0.051243   0.113307    0.0458667   125 ASN   A N    
1643 C CA   . ASN   A 113 ? 0.440851 0.591659 0.176086  -0.0404329  0.101695    0.0575537   125 ASN   A CA   
1644 C C    . ASN   A 113 ? 0.431781 0.584521 0.215021  -0.00099511 0.0831184   0.070443    125 ASN   A C    
1645 O O    . ASN   A 113 ? 0.394325 0.568948 0.294964  0.0125288   0.145077    0.109258    125 ASN   A O    
1646 C CB   . ASN   A 113 ? 0.470345 0.631766 0.209946  -0.0718219  0.0777392   0.0426207   125 ASN   A CB   
1647 C CG   . ASN   A 113 ? 0.497869 0.666003 0.217689  -0.117012   0.109215    0.0196999   125 ASN   A CG   
1648 O OD1  . ASN   A 113 ? 0.522765 0.613966 0.231766  -0.114498   0.0825414   -0.0302075  125 ASN   A OD1  
1649 N ND2  . ASN   A 113 ? 0.513157 0.734135 0.25165   -0.170121   0.116102    0.0187561   125 ASN   A ND2  
1650 H H    . ASN   A 113 ? 0.426598 0.553207 0.178547  -0.0552634  0.106157    0.031327    125 ASN   A H    
1651 H HA   . ASN   A 113 ? 0.447591 0.559406 0.187355  -0.0399441  0.100279    0.0496473   125 ASN   A HA   
1652 H HB2  . ASN   A 113 ? 0.460291 0.667413 0.211599  -0.0719565  0.0884831   0.0497729   125 ASN   A HB2  
1653 H HB3  . ASN   A 113 ? 0.4731   0.640548 0.214771  -0.0650449  0.0979714   0.0537883   125 ASN   A HB3  
1654 H HD21 . ASN   A 113 ? 0.525403 0.727896 0.267014  -0.177182   0.109887    0.0119523   125 ASN   A HD21 
1655 H HD22 . ASN   A 113 ? 0.508174 0.752027 0.250843  -0.161084   0.109665    0.025587    125 ASN   A HD22 
1656 N N    . ALA   A 114 ? 0.412661 0.578587 0.187721  -0.00469191 0.0857135   0.0434295   126 ALA   A N    
1657 C CA   . ALA   A 114 ? 0.386735 0.567701 0.190046  0.0162731   0.0892632   0.0645593   126 ALA   A CA   
1658 C C    . ALA   A 114 ? 0.388119 0.504481 0.193122  0.0184395   0.0857647   0.0545691   126 ALA   A C    
1659 O O    . ALA   A 114 ? 0.368231 0.51381  0.162156  -0.00099221 0.0770983   0.0334726   126 ALA   A O    
1660 C CB   . ALA   A 114 ? 0.427566 0.575429 0.153939  0.0278804   0.0235064   0.0747645   126 ALA   A CB   
1661 H H    . ALA   A 114 ? 0.409699 0.557093 0.188165  -0.00895326 0.0839971   0.0472155   126 ALA   A H    
1662 H HA   . ALA   A 114 ? 0.390833 0.594213 0.194354  0.0216403   0.0828456   0.066707    126 ALA   A HA   
1663 H HB1  . ALA   A 114 ? 0.408838 0.593088 0.164877  0.0152437   0.030335    0.0748011   126 ALA   A HB1  
1664 H HB2  . ALA   A 114 ? 0.420446 0.547889 0.158152  0.0194768   0.0337368   0.0677115   126 ALA   A HB2  
1665 H HB3  . ALA   A 114 ? 0.412641 0.57231  0.16651   0.0436302   0.0322725   0.0729681   126 ALA   A HB3  
1666 N N    . THR   A 115 ? 0.353165 0.491025 0.15967   0.0427127   0.110196    0.101775    127 THR   A N    
1667 C CA   . THR   A 115 ? 0.381227 0.505775 0.188009  0.0730316   0.0947258   0.0551289   127 THR   A CA   
1668 C C    . THR   A 115 ? 0.356249 0.493642 0.129971  0.107303    0.0968855   0.0155635   127 THR   A C    
1669 O O    . THR   A 115 ? 0.359066 0.519166 0.200899  0.109867    0.0791574   0.0467629   127 THR   A O    
1670 C CB   . THR   A 115 ? 0.404557 0.535759 0.180505  0.0607344   0.101435    0.0495834   127 THR   A CB   
1671 O OG1  . THR   A 115 ? 0.45505  0.541457 0.242777  0.0312117   0.136049    0.0802791   127 THR   A OG1  
1672 C CG2  . THR   A 115 ? 0.430573 0.55244  0.237702  0.0774508   0.064983    0.0566468   127 THR   A CG2  
1673 H H    . THR   A 115 ? 0.3592   0.535    0.184583  0.0473442   0.105428    0.0868421   127 THR   A H    
1674 H HA   . THR   A 115 ? 0.379578 0.477993 0.164572  0.0628749   0.101074    0.0562401   127 THR   A HA   
1675 H HB   . THR   A 115 ? 0.408433 0.564304 0.212583  0.0715752   0.10031     0.0568773   127 THR   A HB   
1676 H HG1  . THR   A 115 ? 0.253303 0.253303 0.253303  0           0           0           127 THR   A HG1  
1677 H HG21 . THR   A 115 ? 0.443574 0.580692 0.231966  0.0875992   0.0780604   0.0543991   127 THR   A HG21 
1678 H HG22 . THR   A 115 ? 0.432987 0.525055 0.216341  0.0727496   0.074462    0.0544732   127 THR   A HG22 
1679 H HG23 . THR   A 115 ? 0.427141 0.537325 0.222521  0.0947465   0.0657775   0.0430546   127 THR   A HG23 
1680 N N    . LEU   A 116 ? 0.397688 0.492001 0.140578  0.132265    0.054671    0.0109272   128 LEU   A N    
1681 C CA   . LEU   A 116 ? 0.422335 0.491249 0.138038  0.135484    0.0321327   0.00790805  128 LEU   A CA   
1682 C C    . LEU   A 116 ? 0.424269 0.475046 0.167872  0.157449    0.00669056  -0.0103665  128 LEU   A C    
1683 O O    . LEU   A 116 ? 0.460606 0.448535 0.158288  0.156151    0.0624151   0.00637505  128 LEU   A O    
1684 C CB   . LEU   A 116 ? 0.387517 0.506073 0.141543  0.0995673   0.0307467   0.0226305   128 LEU   A CB   
1685 C CG   . LEU   A 116 ? 0.406149 0.605619 0.165173  0.069349    0.0544796   0.00769812  128 LEU   A CG   
1686 C CD1  . LEU   A 116 ? 0.397145 0.566594 0.122358  0.0276331   0.0270088   -0.00014414 128 LEU   A CD1  
1687 C CD2  . LEU   A 116 ? 0.382485 0.691212 0.125132  0.0708275   0.108503    0.0380899   128 LEU   A CD2  
1688 H H    . LEU   A 116 ? 0.395295 0.475145 0.131437  0.121495    0.0657817   0.0130872   128 LEU   A H    
1689 H HA   . LEU   A 116 ? 0.408454 0.507839 0.156801  0.13657     0.0282422   0.0106388   128 LEU   A HA   
1690 H HB2  . LEU   A 116 ? 0.398571 0.493153 0.140175  0.104645    0.0337738   0.0136985   128 LEU   A HB2  
1691 H HB3  . LEU   A 116 ? 0.399994 0.497608 0.154989  0.111587    0.0218708   0.0133606   128 LEU   A HB3  
1692 H HG   . LEU   A 116 ? 0.39538  0.592502 0.136648  0.0554306   0.0651085   0.0134219   128 LEU   A HG   
1693 H HD11 . LEU   A 116 ? 0.398819 0.551267 0.131083  0.0387447   0.0336034   -0.00342267 128 LEU   A HD11 
1694 H HD12 . LEU   A 116 ? 0.394195 0.573004 0.122316  0.0218254   0.0369987   9.766e-05   128 LEU   A HD12 
1695 H HD13 . LEU   A 116 ? 0.399853 0.567543 0.141766  0.0446441   0.0227646   0.00387563  128 LEU   A HD13 
1696 H HD21 . LEU   A 116 ? 0.382663 0.68374  0.136983  0.0667239   0.103574    0.0332644   128 LEU   A HD21 
1697 H HD22 . LEU   A 116 ? 0.390333 0.678133 0.151457  0.0760718   0.0832636   0.0316595   128 LEU   A HD22 
1698 H HD23 . LEU   A 116 ? 0.38436  0.671294 0.136402  0.0502393   0.0955654   0.0319162   128 LEU   A HD23 
1699 N N    . PHE   A 117 ? 0.445319 0.450123 0.158615  0.157593    0.0103569   0.0277394   129 PHE   A N    
1700 C CA   . PHE   A 117 ? 0.47662  0.437592 0.172679  0.188456    -0.00434998 0.0233215   129 PHE   A CA   
1701 C C    . PHE   A 117 ? 0.469015 0.423749 0.209682  0.206935    -0.00571826 0.00928818  129 PHE   A C    
1702 O O    . PHE   A 117 ? 0.464794 0.438421 0.197822  0.171986    0.0335235   0.0371999   129 PHE   A O    
1703 C CB   . PHE   A 117 ? 0.475655 0.487284 0.187402  0.208134    0.00699704  0.0188354   129 PHE   A CB   
1704 C CG   . PHE   A 117 ? 0.53315  0.510433 0.246787  0.235219    -0.0385578  -0.0221472  129 PHE   A CG   
1705 C CD1  . PHE   A 117 ? 0.563111 0.478608 0.26652   0.264365    -0.0679486  -0.050328   129 PHE   A CD1  
1706 C CD2  . PHE   A 117 ? 0.583352 0.502067 0.25132   0.259125    -0.0314958  -0.0355078  129 PHE   A CD2  
1707 C CE1  . PHE   A 117 ? 0.579418 0.502451 0.340812  0.271911    -0.0803177  -0.0643472  129 PHE   A CE1  
1708 C CE2  . PHE   A 117 ? 0.591471 0.519748 0.267088  0.291997    -0.0767762  -0.0495779  129 PHE   A CE2  
1709 C CZ   . PHE   A 117 ? 0.605478 0.528535 0.303798  0.273312    -0.0888044  -0.102949   129 PHE   A CZ   
1710 H H    . PHE   A 117 ? 0.438289 0.455383 0.172588  0.16289     -0.00011093 0.0255338   129 PHE   A H    
1711 H HA   . PHE   A 117 ? 0.472904 0.440697 0.162466  0.189997    0.00446605  0.0215813   129 PHE   A HA   
1712 H HB2  . PHE   A 117 ? 0.483272 0.510015 0.185317  0.205189    0.0132034   0.018589    129 PHE   A HB2  
1713 H HB3  . PHE   A 117 ? 0.479788 0.491    0.209008  0.211359    -0.00698498 0.0176909   129 PHE   A HB3  
1714 H HD1  . PHE   A 117 ? 0.545644 0.472583 0.283393  0.25036     -0.0708932  -0.0316866  129 PHE   A HD1  
1715 H HD2  . PHE   A 117 ? 0.566142 0.518967 0.229579  0.248307    -0.0254688  -0.0228442  129 PHE   A HD2  
1716 H HE1  . PHE   A 117 ? 0.594205 0.486876 0.349256  0.280418    -0.0995125  -0.0781299  129 PHE   A HE1  
1717 H HE2  . PHE   A 117 ? 0.612457 0.545189 0.253284  0.289607    -0.0651694  -0.0633477  129 PHE   A HE2  
1718 H HZ   . PHE   A 117 ? 0.623807 0.525016 0.318564  0.295447    -0.101729   -0.108818   129 PHE   A HZ   
1719 N N    . PHE   A 118 ? 0.487649 0.401692 0.20057   0.212458    -0.00234117 -0.00127991 130 PHE   A N    
1720 C CA   . PHE   A 118 ? 0.511881 0.41074  0.206814  0.198961    -0.0275298  -0.0117522  130 PHE   A CA   
1721 C C    . PHE   A 118 ? 0.538257 0.428272 0.21451   0.241845    -0.0284734  -0.03263    130 PHE   A C    
1722 O O    . PHE   A 118 ? 0.550686 0.46774  0.204029  0.260415    -0.0200456  -0.0198294  130 PHE   A O    
1723 C CB   . PHE   A 118 ? 0.472731 0.375963 0.209182  0.171989    -0.0266278  -0.0278985  130 PHE   A CB   
1724 C CG   . PHE   A 118 ? 0.420065 0.378832 0.209493  0.138155    -0.0357355  -0.0181469  130 PHE   A CG   
1725 C CD1  . PHE   A 118 ? 0.402947 0.385115 0.200723  0.146636    -0.00202297 -0.00173336 130 PHE   A CD1  
1726 C CD2  . PHE   A 118 ? 0.442132 0.360234 0.2323    0.125942    -0.0266212  -0.00825411 130 PHE   A CD2  
1727 C CE1  . PHE   A 118 ? 0.411903 0.384069 0.184922  0.092989    0.0181511   -0.00068809 130 PHE   A CE1  
1728 C CE2  . PHE   A 118 ? 0.437035 0.352107 0.191133  0.113527    -0.00965483 0.0289034   130 PHE   A CE2  
1729 C CZ   . PHE   A 118 ? 0.439902 0.348062 0.180284  0.103935    -0.0023386  0.0192541   130 PHE   A CZ   
1730 H H    . PHE   A 118 ? 0.494568 0.415975 0.187323  0.211707    -0.00167434 -0.00347797 130 PHE   A H    
1731 H HA   . PHE   A 118 ? 0.502897 0.406529 0.226227  0.205227    -0.0291528  -0.0117836  130 PHE   A HA   
1732 H HB2  . PHE   A 118 ? 0.471381 0.379344 0.200733  0.170686    -0.026714   -0.0274075  130 PHE   A HB2  
1733 H HB3  . PHE   A 118 ? 0.476806 0.367712 0.232571  0.172348    -0.0453214  -0.0263271  130 PHE   A HB3  
1734 H HD1  . PHE   A 118 ? 0.415917 0.392429 0.188198  0.140501    0.0021166   -0.0106244  130 PHE   A HD1  
1735 H HD2  . PHE   A 118 ? 0.448174 0.35419  0.247772  0.134202    -0.0429721  -0.00395832 130 PHE   A HD2  
1736 H HE1  . PHE   A 118 ? 0.409019 0.380661 0.169824  0.0977471   0.023764    0.00573088  130 PHE   A HE1  
1737 H HE2  . PHE   A 118 ? 0.437339 0.349352 0.206892  0.102425    -0.0168136  0.0359041   130 PHE   A HE2  
1738 H HZ   . PHE   A 118 ? 0.421616 0.36375  0.17373   0.0851188   0.00992422  0.0238959   130 PHE   A HZ   
1739 N N    . GLU   A 119 ? 0.549714 0.436294 0.225695  0.255118    -0.0381051  -0.0581995  131 GLU   A N    
1740 C CA   . GLU   A 119 ? 0.609211 0.44024  0.248848  0.239759    -0.104246   -0.0660893  131 GLU   A CA   
1741 C C    . GLU   A 119 ? 0.588534 0.373125 0.338972  0.231915    -0.139425   -0.0430127  131 GLU   A C    
1742 O O    . GLU   A 119 ? 0.570291 0.457291 0.307582  0.258421    -0.0972466  -0.0648211  131 GLU   A O    
1743 C CB   . GLU   A 119 ? 0.660531 0.489449 0.280389  0.238924    -0.110753   -0.105989   131 GLU   A CB   
1744 C CG   . GLU   A 119 ? 0.738516 0.504575 0.343197  0.268073    -0.142537   -0.130311   131 GLU   A CG   
1745 C CD   . GLU   A 119 ? 0.789854 0.555424 0.371545  0.290784    -0.160756   -0.118342   131 GLU   A CD   
1746 O OE1  . GLU   A 119 ? 0.819409 0.493691 0.419067  0.418189    -0.140646   -0.123006   131 GLU   A OE1  
1747 O OE2  . GLU   A 119 ? 0.755701 0.539656 0.536134  0.352426    -0.140526   -0.0933684  131 GLU   A OE2  
1748 H H    . GLU   A 119 ? 0.554415 0.431936 0.246926  0.242436    -0.0515009  -0.0443414  131 GLU   A H    
1749 H HA   . GLU   A 119 ? 0.61106  0.449144 0.238744  0.249701    -0.0930204  -0.0709678  131 GLU   A HA   
1750 H HB2  . GLU   A 119 ? 0.676668 0.531216 0.275405  0.244706    -0.0987734  -0.103352   131 GLU   A HB2  
1751 H HB3  . GLU   A 119 ? 0.665565 0.495963 0.301646  0.228278    -0.114127   -0.0840379  131 GLU   A HB3  
1752 H HG2  . GLU   A 119 ? 0.739067 0.505261 0.353077  0.242184    -0.150349   -0.107662   131 GLU   A HG2  
1753 H HG3  . GLU   A 119 ? 0.748268 0.541613 0.321944  0.259108    -0.134788   -0.127734   131 GLU   A HG3  
1754 N N    . ILE   A 120 ? 0.548593 0.37525  0.327189  0.246766    -0.155749   -0.103087   132 ILE   A N    
1755 C CA   . ILE   A 120 ? 0.564858 0.351534 0.361027  0.195095    -0.153648   -0.0928983  132 ILE   A CA   
1756 C C    . ILE   A 120 ? 0.572191 0.343211 0.377539  0.216777    -0.176814   -0.105306   132 ILE   A C    
1757 O O    . ILE   A 120 ? 0.599067 0.428183 0.365454  0.243877    -0.220564   -0.129175   132 ILE   A O    
1758 C CB   . ILE   A 120 ? 0.52233  0.380591 0.326356  0.187755    -0.145784   -0.0906565  132 ILE   A CB   
1759 C CG1  . ILE   A 120 ? 0.528195 0.362965 0.308767  0.158961    -0.121682   -0.0765022  132 ILE   A CG1  
1760 C CG2  . ILE   A 120 ? 0.538812 0.36432  0.342383  0.167616    -0.123131   -0.0834008  132 ILE   A CG2  
1761 C CD1  . ILE   A 120 ? 0.49976  0.392044 0.279928  0.157785    -0.0702806  -0.0917399  132 ILE   A CD1  
1762 H H    . ILE   A 120 ? 0.573092 0.38981  0.324859  0.244404    -0.147799   -0.100997   132 ILE   A H    
1763 H HA   . ILE   A 120 ? 0.548997 0.349404 0.37291   0.197647    -0.159258   -0.0842936  132 ILE   A HA   
1764 H HB   . ILE   A 120 ? 0.542303 0.377765 0.318324  0.19032     -0.13766    -0.0962806  132 ILE   A HB   
1765 H HG12 . ILE   A 120 ? 0.51323  0.367877 0.313821  0.156497    -0.115036   -0.0709446  132 ILE   A HG12 
1766 H HG13 . ILE   A 120 ? 0.531125 0.388351 0.297154  0.177258    -0.113204   -0.0860702  132 ILE   A HG13 
1767 H HG21 . ILE   A 120 ? 0.516235 0.359139 0.330388  0.159886    -0.119373   -0.0757551  132 ILE   A HG21 
1768 H HG22 . ILE   A 120 ? 0.528764 0.358599 0.362022  0.160223    -0.133949   -0.073448   132 ILE   A HG22 
1769 H HG23 . ILE   A 120 ? 0.548325 0.365254 0.369308  0.175695    -0.146058   -0.0910693  132 ILE   A HG23 
1770 H HD11 . ILE   A 120 ? 0.5109   0.388619 0.278794  0.163702    -0.0797342  -0.0928405  132 ILE   A HD11 
1771 H HD12 . ILE   A 120 ? 0.492325 0.385085 0.265984  0.149849    -0.0642286  -0.0776102  132 ILE   A HD12 
1772 H HD13 . ILE   A 120 ? 0.490958 0.369874 0.29151   0.144904    -0.0785367  -0.0805911  132 ILE   A HD13 
1773 N N    . GLU   A 121 ? 0.565881 0.362073 0.464895  0.213003    -0.19508    -0.100017   133 GLU   A N    
1774 C CA   . GLU   A 121 ? 0.630516 0.383752 0.490931  0.186833    -0.235314   -0.114112   133 GLU   A CA   
1775 C C    . GLU   A 121 ? 0.612276 0.370393 0.524107  0.167196    -0.237973   -0.0869311  133 GLU   A C    
1776 O O    . GLU   A 121 ? 0.614918 0.346492 0.530695  0.133301    -0.243927   -0.0547793  133 GLU   A O    
1777 C CB   . GLU   A 121 ? 0.679961 0.378842 0.555652  0.202103    -0.24806    -0.0949715  133 GLU   A CB   
1778 C CG   . GLU   A 121 ? 0.721339 0.352217 0.557404  0.174412    -0.27211    -0.0990245  133 GLU   A CG   
1779 C CD   . GLU   A 121 ? 0.769123 0.391679 0.648456  0.160463    -0.28741    -0.0924611  133 GLU   A CD   
1780 O OE1  . GLU   A 121 ? 0.819055 0.33826  0.676419  0.172746    -0.255983   -0.0420329  133 GLU   A OE1  
1781 O OE2  . GLU   A 121 ? 0.801174 0.379083 0.695915  0.164311    -0.289888   -0.147585   133 GLU   A OE2  
1782 H H    . GLU   A 121 ? 0.56915  0.350662 0.465601  0.195585    -0.191569   -0.0884164  133 GLU   A H    
1783 H HA   . GLU   A 121 ? 0.639713 0.392776 0.487514  0.209179    -0.233565   -0.121103   133 GLU   A HA   
1784 H HB2  . GLU   A 121 ? 0.696554 0.397981 0.545995  0.213458    -0.247537   -0.110403   133 GLU   A HB2  
1785 H HB3  . GLU   A 121 ? 0.670792 0.375201 0.562611  0.182657    -0.24232    -0.0781246  133 GLU   A HB3  
1786 H HG2  . GLU   A 121 ? 0.705445 0.364401 0.57643   0.158896    -0.26605    -0.0796233  133 GLU   A HG2  
1787 H HG3  . GLU   A 121 ? 0.735312 0.388355 0.557257  0.188875    -0.27317    -0.110147   133 GLU   A HG3  
1788 N N    . LEU   A 122 ? 0.632668 0.367234 0.514479  0.183084    -0.252358   -0.0950137  134 LEU   A N    
1789 C CA   . LEU   A 122 ? 0.594072 0.367576 0.508379  0.183676    -0.263812   -0.0625249  134 LEU   A CA   
1790 C C    . LEU   A 122 ? 0.650757 0.387681 0.586606  0.157262    -0.287929   -0.131932   134 LEU   A C    
1791 O O    . LEU   A 122 ? 0.639453 0.419021 0.631086  0.148143    -0.326965   -0.178299   134 LEU   A O    
1792 C CB   . LEU   A 122 ? 0.611907 0.369839 0.462295  0.188952    -0.264874   -0.0705131  134 LEU   A CB   
1793 C CG   . LEU   A 122 ? 0.600941 0.381371 0.490402  0.172923    -0.246502   -0.0753631  134 LEU   A CG   
1794 C CD1  . LEU   A 122 ? 0.553667 0.359411 0.487932  0.160966    -0.211572   -0.0554417  134 LEU   A CD1  
1795 C CD2  . LEU   A 122 ? 0.615287 0.379849 0.467741  0.199456    -0.231886   -0.0763291  134 LEU   A CD2  
1796 H H    . LEU   A 122 ? 0.637824 0.384145 0.504931  0.1986      -0.257763   -0.105046   134 LEU   A H    
1797 H HA   . LEU   A 122 ? 0.588014 0.35983  0.505749  0.162911    -0.245267   -0.061867   134 LEU   A HA   
1798 H HB2  . LEU   A 122 ? 0.594328 0.372631 0.433178  0.191997    -0.240495   -0.0683426  134 LEU   A HB2  
1799 H HB3  . LEU   A 122 ? 0.630067 0.386641 0.472564  0.201632    -0.274566   -0.0900119  134 LEU   A HB3  
1800 H HG   . LEU   A 122 ? 0.613922 0.379196 0.52713   0.174403    -0.265878   -0.0778823  134 LEU   A HG   
1801 H HD11 . LEU   A 122 ? 0.563119 0.358589 0.512563  0.150955    -0.221962   -0.049991   134 LEU   A HD11 
1802 H HD12 . LEU   A 122 ? 0.545931 0.363579 0.500722  0.153073    -0.210759   -0.04993    134 LEU   A HD12 
1803 H HD13 . LEU   A 122 ? 0.545753 0.357102 0.455929  0.1609      -0.196986   -0.0506837  134 LEU   A HD13 
1804 H HD21 . LEU   A 122 ? 0.631638 0.395643 0.467333  0.207784    -0.246878   -0.0893031  134 LEU   A HD21 
1805 H HD22 . LEU   A 122 ? 0.596994 0.378993 0.437316  0.195687    -0.213995   -0.069511   134 LEU   A HD22 
1806 H HD23 . LEU   A 122 ? 0.604889 0.384885 0.488258  0.187572    -0.237324   -0.0720789  134 LEU   A HD23 
1807 N N    . LEU   A 123 ? 0.639426 0.355659 0.661143  0.128934    -0.268273   -0.0960952  135 LEU   A N    
1808 C CA   . LEU   A 123 ? 0.659921 0.354212 0.753157  0.130784    -0.305963   -0.101249   135 LEU   A CA   
1809 C C    . LEU   A 123 ? 0.668235 0.376194 0.796994  0.102588    -0.318009   -0.0900458  135 LEU   A C    
1810 O O    . LEU   A 123 ? 0.698035 0.30295  0.828223  0.0859637   -0.341115   -0.11206    135 LEU   A O    
1811 C CB   . LEU   A 123 ? 0.648226 0.341935 0.777562  0.115522    -0.299697   -0.0519244  135 LEU   A CB   
1812 C CG   . LEU   A 123 ? 0.667018 0.362452 0.787215  0.133786    -0.286313   -0.0444306  135 LEU   A CG   
1813 C CD1  . LEU   A 123 ? 0.680108 0.403737 0.804821  0.109438    -0.255929   0.00183977  135 LEU   A CD1  
1814 C CD2  . LEU   A 123 ? 0.71708  0.42111  0.83662   0.15502     -0.317129   -0.058733   135 LEU   A CD2  
1815 H H    . LEU   A 123 ? 0.618821 0.356903 0.640326  0.126148    -0.255322   -0.0829305  135 LEU   A H    
1816 H HA   . LEU   A 123 ? 0.68794  0.359192 0.766354  0.140712    -0.32234    -0.11531    135 LEU   A HA   
1817 H HB2  . LEU   A 123 ? 0.62781  0.349574 0.764576  0.102623    -0.278223   -0.0387282  135 LEU   A HB2  
1818 H HB3  . LEU   A 123 ? 0.670493 0.349866 0.833995  0.104703    -0.317136   -0.0532033  135 LEU   A HB3  
1819 H HG   . LEU   A 123 ? 0.650357 0.370203 0.734095  0.141404    -0.26598    -0.0449058  135 LEU   A HG   
1820 H HD11 . LEU   A 123 ? 0.65155  0.395649 0.7844    0.0960965   -0.2456     0.0140389   135 LEU   A HD11 
1821 H HD12 . LEU   A 123 ? 0.681356 0.389373 0.794349  0.117952    -0.258854   -0.00135835 135 LEU   A HD12 
1822 H HD13 . LEU   A 123 ? 0.696547 0.395447 0.858237  0.101484    -0.281859   0.00334131  135 LEU   A HD13 
1823 H HD21 . LEU   A 123 ? 0.720057 0.409003 0.815579  0.169766    -0.318704   -0.0835432  135 LEU   A HD21 
1824 H HD22 . LEU   A 123 ? 0.736606 0.406555 0.885593  0.147214    -0.336541   -0.0612895  135 LEU   A HD22 
1825 H HD23 . LEU   A 123 ? 0.722787 0.402332 0.833519  0.162671    -0.314156   -0.0613099  135 LEU   A HD23 
1826 N N    . ASP   A 124 ? 0.648864 0.373933 0.789474  0.108688    -0.288025   -0.0656446  136 ASP   A N    
1827 C CA   . ASP   A 124 ? 0.617176 0.390937 0.810546  0.0606674   -0.334169   -0.0374014  136 ASP   A CA   
1828 C C    . ASP   A 124 ? 0.549416 0.360759 0.772069  0.0654219   -0.305487   -0.00676489 136 ASP   A C    
1829 O O    . ASP   A 124 ? 0.543221 0.340114 0.727885  0.0605584   -0.296555   0.00205614  136 ASP   A O    
1830 C CB   . ASP   A 124 ? 0.667505 0.418915 0.882838  0.0415183   -0.341658   0.00739683  136 ASP   A CB   
1831 C CG   . ASP   A 124 ? 0.672169 0.428842 0.953423  0.0235085   -0.35223    0.0317905   136 ASP   A CG   
1832 O OD1  . ASP   A 124 ? 0.665858 0.403994 0.910231  0.035156    -0.382621   -0.020229   136 ASP   A OD1  
1833 O OD2  . ASP   A 124 ? 0.7405   0.444815 1.00973   0.024386    -0.343838   0.0926814   136 ASP   A OD2  
1834 H H    . ASP   A 124 ? 0.626746 0.37247  0.752563  0.100168    -0.273671   -0.0500479  136 ASP   A H    
1835 H HA   . ASP   A 124 ? 0.633657 0.390736 0.817345  0.0808748   -0.344076   -0.0484269  136 ASP   A HA   
1836 H HB2  . ASP   A 124 ? 0.679456 0.40949  0.90961   0.0387875   -0.35832    0.00187838  136 ASP   A HB2  
1837 H HB3  . ASP   A 124 ? 0.63988  0.414215 0.874925  0.0261781   -0.321636   0.0239352   136 ASP   A HB3  
1838 N N    . PHE   A 125 ? 0.552117 0.36002  0.768223  0.0579256   -0.324648   -0.0159477  137 PHE   A N    
1839 C CA   . PHE   A 125 ? 0.536088 0.371043 0.712741  0.0573061   -0.309218   -0.00426998 137 PHE   A CA   
1840 C C    . PHE   A 125 ? 0.526371 0.40303  0.768491  0.0414633   -0.311733   -0.0129033  137 PHE   A C    
1841 O O    . PHE   A 125 ? 0.535656 0.385112 0.806018  0.0321181   -0.354392   -0.0223435  137 PHE   A O    
1842 C CB   . PHE   A 125 ? 0.54031  0.351778 0.659554  0.0738908   -0.295771   -0.0357342  137 PHE   A CB   
1843 C CG   . PHE   A 125 ? 0.590024 0.345877 0.67234   0.10691     -0.316024   -0.0290181  137 PHE   A CG   
1844 C CD1  . PHE   A 125 ? 0.622524 0.410684 0.636256  0.122906    -0.33537    -0.0228379  137 PHE   A CD1  
1845 C CD2  . PHE   A 125 ? 0.606871 0.372716 0.678644  0.0981131   -0.332754   -0.0359044  137 PHE   A CD2  
1846 C CE1  . PHE   A 125 ? 0.662262 0.431307 0.64137   0.115467    -0.353564   -0.0541819  137 PHE   A CE1  
1847 C CE2  . PHE   A 125 ? 0.617253 0.374267 0.683572  0.136849    -0.353167   -0.0351598  137 PHE   A CE2  
1848 C CZ   . PHE   A 125 ? 0.672357 0.43694  0.666977  0.128368    -0.360984   -0.0218596  137 PHE   A CZ   
1849 H H    . PHE   A 125 ? 0.566612 0.371692 0.792842  0.0624628   -0.344431   -0.0223136  137 PHE   A H    
1850 H HA   . PHE   A 125 ? 0.524097 0.369102 0.704315  0.0443815   -0.291408   0.00276563  137 PHE   A HA   
1851 H HB2  . PHE   A 125 ? 0.5273   0.355875 0.656825  0.0748683   -0.275245   -0.0222767  137 PHE   A HB2  
1852 H HB3  . PHE   A 125 ? 0.541027 0.339049 0.628889  0.0825035   -0.286826   -0.0266575  137 PHE   A HB3  
1853 H HD1  . PHE   A 125 ? 0.626353 0.384025 0.629851  0.117531    -0.333061   -0.0323976  137 PHE   A HD1  
1854 H HD2  . PHE   A 125 ? 0.585743 0.376774 0.696324  0.097697    -0.31467    -0.0237131  137 PHE   A HD2  
1855 H HE1  . PHE   A 125 ? 0.678799 0.427937 0.632635  0.134395    -0.366162   -0.0544787  137 PHE   A HE1  
1856 H HE2  . PHE   A 125 ? 0.615818 0.397384 0.7043    0.135756    -0.35665    -0.0297311  137 PHE   A HE2  
1857 H HZ   . PHE   A 125 ? 0.677383 0.433387 0.670772  0.141822    -0.379849   -0.0423274  137 PHE   A HZ   
1858 N N    . LYS   A 126 ? 0.509016 0.376631 0.748888  0.0309085   -0.290714   -0.00087799 138 LYS   A N    
1859 C CA   . LYS   A 126 ? 0.507193 0.397321 0.856906  -0.00390117 -0.259439   -0.0015378  138 LYS   A CA   
1860 C C    . LYS   A 126 ? 0.497212 0.385809 0.868243  -0.0144786  -0.216393   0.0136892   138 LYS   A C    
1861 O O    . LYS   A 126 ? 0.464794 0.344497 0.870355  -0.0102663  -0.207295   -0.00164249 138 LYS   A O    
1862 C CB   . LYS   A 126 ? 0.512194 0.415654 0.907602  -0.0452563  -0.217858   0.0148076   138 LYS   A CB   
1863 H H    . LYS   A 126 ? 0.493514 0.377265 0.732091  0.0205004   -0.266932   0.00016445  138 LYS   A H    
1864 H HA   . LYS   A 126 ? 0.519246 0.398433 0.879183  0.00083377  -0.279882   -0.00525066 138 LYS   A HA   
1865 H HB2  . LYS   A 126 ? 0.253303 0.253303 0.253303  0           0           0           138 LYS   A HB2  
1866 H HB3  . LYS   A 126 ? 0.253303 0.253303 0.253303  0           0           0           138 LYS   A HB3  
1867 N N    . GLY   A 127 ? 0.536048 0.424242 0.932436  -0.00124262 -0.20709    0.0488348   139 GLY   A N    
1868 C CA   . GLY   A 127 ? 0.548903 0.433849 0.941792  0.0139825   -0.162465   0.0565372   139 GLY   A CA   
1869 C C    . GLY   A 127 ? 0.577808 0.477505 0.943846  0.0215556   -0.116156   0.091888    139 GLY   A C    
1870 O O    . GLY   A 127 ? 0.629374 0.457254 1.01529   0.0368213   -0.139226   0.102211    139 GLY   A O    
1871 H H    . GLY   A 127 ? 0.540911 0.428614 0.965089  -0.00295301 -0.225933   0.0429882   139 GLY   A H    
1872 H HA2  . GLY   A 127 ? 0.545258 0.419487 0.907866  0.0315833   -0.157783   0.0510794   139 GLY   A HA2  
1873 H HA3  . GLY   A 127 ? 0.550367 0.460765 0.983398  0.018712    -0.172324   0.0572369   139 GLY   A HA3  
1874 N N    . GLU   A 128 ? 0.601531 0.521654 0.909395  0.0345972   -0.0824313  0.0871145   140 GLU   A N    
1875 C CA   . GLU   A 128 ? 0.639557 0.615814 0.918142  0.00825018  -0.0112844  0.0931219   140 GLU   A CA   
1876 C C    . GLU   A 128 ? 0.65428  0.711206 0.975916  0.00315908  0.0198826   0.0997919   140 GLU   A C    
1877 O O    . GLU   A 128 ? 0.711823 0.782519 0.95668   -0.0611402  0.0581101   0.0909565   140 GLU   A O    
1878 C CB   . GLU   A 128 ? 0.595192 0.630852 0.915066  0.0124801   0.0143334   0.049802    140 GLU   A CB   
1879 O OXT  . GLU   A 128 ? 0.66858  0.74771  1.02339   0.0239625   0.0315109   0.102087    140 GLU   A OXT  
1880 H H    . GLU   A 128 ? 0.597273 0.505568 0.899422  0.0477103   -0.0768606  0.0742666   140 GLU   A H    
1881 H HA   . GLU   A 128 ? 0.629614 0.605646 0.902467  -0.00497314 -0.0156621  0.0977603   140 GLU   A HA   
1882 H HB2  . GLU   A 128 ? 0.253303 0.253303 0.253303  0           0           0           140 GLU   A HB2  
1883 H HB3  . GLU   A 128 ? 0.253303 0.253303 0.253303  0           0           0           140 GLU   A HB3  
1884 N N    . GLY   B 1   ? 0.471256 0.561012 0.578968  -0.111511   -0.03455    -0.0398545  13  GLY   B N    
1885 C CA   . GLY   B 1   ? 0.462872 0.535089 0.529803  -0.123086   -0.0687337  -0.0585035  13  GLY   B CA   
1886 C C    . GLY   B 1   ? 0.462169 0.488412 0.490208  -0.110826   -0.036801   -0.0396523  13  GLY   B C    
1887 O O    . GLY   B 1   ? 0.433755 0.49502  0.47936   -0.0867436  -0.0946174  -0.0331959  13  GLY   B O    
1888 H H1   . GLY   B 1   ? 0.473274 0.587493 0.59381   -0.127411   -0.0513189  -0.0495468  13  GLY   B H1   
1889 H H2   . GLY   B 1   ? 0.44673  0.560984 0.552232  -0.106346   -0.0411207  -0.0338298  13  GLY   B H2   
1890 H H3   . GLY   B 1   ? 0.46583  0.57329  0.559298  -0.106378   -0.0569378  -0.054208   13  GLY   B H3   
1891 H HA2  . GLY   B 1   ? 0.490959 0.534472 0.556332  -0.131548   -0.0607603  -0.0649839  13  GLY   B HA2  
1892 H HA3  . GLY   B 1   ? 0.4699   0.52172  0.550238  -0.131426   -0.0441106  -0.0429764  13  GLY   B HA3  
1893 N N    . ALA   B 2   ? 0.458292 0.434612 0.46156   -0.108549   -0.00801541 -0.0206749  14  ALA   B N    
1894 C CA   . ALA   B 2   ? 0.435192 0.4447   0.402625  -0.0732455  0.00826323  -0.0314586  14  ALA   B CA   
1895 C C    . ALA   B 2   ? 0.375612 0.434777 0.382839  -0.0678305  0.0067047   -0.066968   14  ALA   B C    
1896 O O    . ALA   B 2   ? 0.393913 0.44896  0.402829  -0.0801981  -0.00139698 -0.0473689  14  ALA   B O    
1897 C CB   . ALA   B 2   ? 0.435769 0.435719 0.367576  -0.0449205  0.0345732   -0.0478071  14  ALA   B CB   
1898 H H    . ALA   B 2   ? 0.465571 0.439327 0.474591  -0.116483   -0.00441784 -0.0190754  14  ALA   B H    
1899 H HA   . ALA   B 2   ? 0.439097 0.447118 0.402504  -0.0688739  0.00152637  -0.0516497  14  ALA   B HA   
1900 H HB1  . ALA   B 2   ? 0.460448 0.435845 0.398061  -0.060499   0.0264026   -0.0505677  14  ALA   B HB1  
1901 H HB2  . ALA   B 2   ? 0.432914 0.425932 0.373096  -0.0573381  0.0382491   -0.0326313  14  ALA   B HB2  
1902 H HB3  . ALA   B 2   ? 0.433845 0.418407 0.358309  -0.0409363  0.0324243   -0.0406662  14  ALA   B HB3  
1903 N N    . PRO   B 3   ? 0.390909 0.455725 0.384952  -0.0822949  0.00508199  -0.0555769  15  PRO   B N    
1904 C CA   . PRO   B 3   ? 0.389769 0.437792 0.353501  -0.0748182  0.0243829   -0.0457988  15  PRO   B CA   
1905 C C    . PRO   B 3   ? 0.406107 0.467817 0.298267  -0.081178   0.00553181  -0.0393299  15  PRO   B C    
1906 O O    . PRO   B 3   ? 0.433317 0.445331 0.293392  -0.0823297  -0.00205432 -0.0284844  15  PRO   B O    
1907 C CB   . PRO   B 3   ? 0.41246  0.462239 0.339009  -0.078267   0.0313887   -0.0663299  15  PRO   B CB   
1908 C CG   . PRO   B 3   ? 0.420607 0.470032 0.402833  -0.0671604  0.0181927   -0.0677357  15  PRO   B CG   
1909 C CD   . PRO   B 3   ? 0.444753 0.465793 0.425297  -0.0949346  0.00968525  -0.0639742  15  PRO   B CD   
1910 H HA   . PRO   B 3   ? 0.390573 0.426778 0.325444  -0.0696811  0.0225615   -0.0461502  15  PRO   B HA   
1911 H HB2  . PRO   B 3   ? 0.406332 0.481388 0.362908  -0.0767542  0.025462    -0.0611927  15  PRO   B HB2  
1912 H HB3  . PRO   B 3   ? 0.395051 0.445202 0.334359  -0.0665237  0.0316226   -0.0545345  15  PRO   B HB3  
1913 H HG2  . PRO   B 3   ? 0.426552 0.475258 0.410763  -0.0835381  0.0240676   -0.0585556  15  PRO   B HG2  
1914 H HG3  . PRO   B 3   ? 0.422661 0.443746 0.38335   -0.0724232  0.0253647   -0.0587779  15  PRO   B HG3  
1915 H HD2  . PRO   B 3   ? 0.440318 0.491006 0.442334  -0.0999582  0.00689307  -0.0671557  15  PRO   B HD2  
1916 H HD3  . PRO   B 3   ? 0.445949 0.459128 0.43121   -0.0972194  0.0125969   -0.0645396  15  PRO   B HD3  
1917 N N    . ALA   B 4   ? 0.391782 0.493024 0.374482  -0.0818401  0.0272528   -0.0288147  16  ALA   B N    
1918 C CA   . ALA   B 4   ? 0.361356 0.499816 0.352704  -0.0514215  0.0106374   -0.0736089  16  ALA   B CA   
1919 C C    . ALA   B 4   ? 0.378099 0.502697 0.361771  -0.057342   0.0104709   -0.0630394  16  ALA   B C    
1920 O O    . ALA   B 4   ? 0.423494 0.498645 0.308616  -0.0224485  -0.0208025  -0.0995485  16  ALA   B O    
1921 C CB   . ALA   B 4   ? 0.376563 0.572831 0.381107  -0.0574158  0.0329188   -0.0762654  16  ALA   B CB   
1922 H H    . ALA   B 4   ? 0.393134 0.493144 0.376755  -0.0920916  0.0195121   -0.0435414  16  ALA   B H    
1923 H HA   . ALA   B 4   ? 0.358754 0.499062 0.345492  -0.0460737  0.0224501   -0.0567901  16  ALA   B HA   
1924 H HB1  . ALA   B 4   ? 0.363029 0.568481 0.389469  -0.0638649  0.0324879   -0.0720996  16  ALA   B HB1  
1925 H HB2  . ALA   B 4   ? 0.385522 0.569093 0.398717  -0.0707258  0.019805    -0.0852104  16  ALA   B HB2  
1926 H HB3  . ALA   B 4   ? 0.37569  0.583848 0.383227  -0.0518768  0.016684    -0.0821401  16  ALA   B HB3  
1927 N N    . THR   B 5   ? 0.386043 0.517754 0.336522  -0.0607267  0.0123372   -0.0960147  17  THR   B N    
1928 C CA   . THR   B 5   ? 0.34124  0.52738  0.279504  -0.073584   -0.028217   -0.09468    17  THR   B CA   
1929 C C    . THR   B 5   ? 0.390734 0.506995 0.292794  -0.0699584  -0.0447038  -0.0749975  17  THR   B C    
1930 O O    . THR   B 5   ? 0.392911 0.51944  0.291892  -0.058157   -0.0348189  -0.0862539  17  THR   B O    
1931 C CB   . THR   B 5   ? 0.367021 0.539734 0.343022  -0.0894107  -0.0149964  -0.108559   17  THR   B CB   
1932 O OG1  . THR   B 5   ? 0.43028  0.515516 0.436288  -0.0954331  -0.0269531  -0.132661   17  THR   B OG1  
1933 C CG2  . THR   B 5   ? 0.371675 0.561114 0.393717  -0.0547128  0.00797908  -0.129525   17  THR   B CG2  
1934 H H    . THR   B 5   ? 0.372585 0.513283 0.347496  -0.076747   0.00474253  -0.0915445  17  THR   B H    
1935 H HA   . THR   B 5   ? 0.365504 0.549914 0.296512  -0.0661581  -0.0388867  -0.0968359  17  THR   B HA   
1936 H HB   . THR   B 5   ? 0.36659  0.508735 0.35188   -0.0853905  -0.00820243 -0.105859   17  THR   B HB   
1937 H HG1  . THR   B 5   ? 0.253303 0.253303 0.253303  0           0           0           17  THR   B HG1  
1938 H HG21 . THR   B 5   ? 0.394229 0.5563   0.389625  -0.0672919  -0.00109746 -0.135855   17  THR   B HG21 
1939 H HG22 . THR   B 5   ? 0.385221 0.576721 0.377915  -0.0585642  -0.00375253 -0.132971   17  THR   B HG22 
1940 H HG23 . THR   B 5   ? 0.370927 0.539198 0.357375  -0.052715   0.00990772  -0.118726   17  THR   B HG23 
1941 N N    . VAL   B 6   ? 0.377314 0.468318 0.260354  -0.0726932  -0.0295372  -0.0742002  18  VAL   B N    
1942 C CA   . VAL   B 6   ? 0.351677 0.429431 0.235162  -0.0375003  -0.0307903  -0.0796824  18  VAL   B CA   
1943 C C    . VAL   B 6   ? 0.353991 0.433782 0.25112   -0.0483344  -0.0367773  -0.0881278  18  VAL   B C    
1944 O O    . VAL   B 6   ? 0.404084 0.399584 0.252353  -0.0295546  -0.0298092  -0.060821   18  VAL   B O    
1945 C CB   . VAL   B 6   ? 0.351057 0.427474 0.256292  -0.0267318  -0.00494177 -0.0738612  18  VAL   B CB   
1946 C CG1  . VAL   B 6   ? 0.378148 0.432095 0.219613  -0.0416269  0.00713068  -0.0517078  18  VAL   B CG1  
1947 C CG2  . VAL   B 6   ? 0.40134  0.41873  0.267783  -0.0399164  0.0193207   -0.0632497  18  VAL   B CG2  
1948 H H    . VAL   B 6   ? 0.368915 0.460426 0.274271  -0.0744693  -0.029058   -0.0723116  18  VAL   B H    
1949 H HA   . VAL   B 6   ? 0.365255 0.437373 0.240739  -0.0393972  -0.024401   -0.0853997  18  VAL   B HA   
1950 H HB   . VAL   B 6   ? 0.353039 0.42544  0.251031  -0.0377545  -0.00209252 -0.0635689  18  VAL   B HB   
1951 H HG11 . VAL   B 6   ? 0.374277 0.431468 0.222466  -0.0316345  0.00658837  -0.0595653  18  VAL   B HG11 
1952 H HG12 . VAL   B 6   ? 0.363384 0.43198  0.219532  -0.0338453  0.00547095  -0.050544   18  VAL   B HG12 
1953 H HG13 . VAL   B 6   ? 0.361957 0.413663 0.225573  -0.0366165  0.0103095   -0.0525312  18  VAL   B HG13 
1954 H HG21 . VAL   B 6   ? 0.383304 0.405329 0.270749  -0.0378915  0.0189098   -0.0627093  18  VAL   B HG21 
1955 H HG22 . VAL   B 6   ? 0.396918 0.428738 0.286059  -0.0439083  0.00826855  -0.0729814  18  VAL   B HG22 
1956 H HG23 . VAL   B 6   ? 0.39747  0.421236 0.268667  -0.033414   0.0124957   -0.0738939  18  VAL   B HG23 
1957 N N    . THR   B 7   ? 0.358239 0.442153 0.274371  -0.0382237  0.00572529  -0.0472562  19  THR   B N    
1958 C CA   . THR   B 7   ? 0.375455 0.430343 0.280503  -0.0192586  -0.0158508  -0.0606024  19  THR   B CA   
1959 C C    . THR   B 7   ? 0.391767 0.441193 0.271621  -0.0179757  -0.0168186  -0.0705543  19  THR   B C    
1960 O O    . THR   B 7   ? 0.374761 0.456459 0.298351  -0.00339685 -0.0426474  -0.072906   19  THR   B O    
1961 C CB   . THR   B 7   ? 0.395351 0.456137 0.310336  -0.0349192  -0.0140706  -0.0714188  19  THR   B CB   
1962 O OG1  . THR   B 7   ? 0.373289 0.510249 0.307048  -0.0308191  0.0489047   -0.0309077  19  THR   B OG1  
1963 C CG2  . THR   B 7   ? 0.437644 0.478187 0.311805  -0.02383    -0.0229117  -0.0414813  19  THR   B CG2  
1964 H H    . THR   B 7   ? 0.353685 0.434149 0.282606  -0.0503803  -0.00791732 -0.0592619  19  THR   B H    
1965 H HA   . THR   B 7   ? 0.371481 0.418062 0.267436  -0.0208333  -0.00338406 -0.0526517  19  THR   B HA   
1966 H HB   . THR   B 7   ? 0.395522 0.474317 0.322307  -0.0429009  -0.0139306  -0.0690806  19  THR   B HB   
1967 H HG1  . THR   B 7   ? 0.253303 0.253303 0.253303  0           0           0           19  THR   B HG1  
1968 H HG21 . THR   B 7   ? 0.424229 0.490711 0.324278  -0.0222388  -0.0245207  -0.0477257  19  THR   B HG21 
1969 H HG22 . THR   B 7   ? 0.427929 0.465262 0.298133  -0.0140287  -0.0164587  -0.0418289  19  THR   B HG22 
1970 H HG23 . THR   B 7   ? 0.436834 0.495834 0.315426  -0.0185482  -0.0299713  -0.0540608  19  THR   B HG23 
1971 N N    . GLU   B 8   ? 0.393375 0.479512 0.23275   -0.0560907  -0.0439359  -0.072366   20  GLU   B N    
1972 C CA   . GLU   B 8   ? 0.423199 0.524164 0.264471  -0.0298745  -0.0208676  -0.0442127  20  GLU   B CA   
1973 C C    . GLU   B 8   ? 0.435002 0.503835 0.277578  -0.0182169  -0.0228336  -0.0451067  20  GLU   B C    
1974 O O    . GLU   B 8   ? 0.518425 0.534579 0.232197  0.00645584  -0.0368946  -0.0474476  20  GLU   B O    
1975 C CB   . GLU   B 8   ? 0.436199 0.600873 0.361216  -0.0534662  -0.00872472 -0.0610843  20  GLU   B CB   
1976 C CG   . GLU   B 8   ? 0.455532 0.684969 0.486164  -0.0854487  0.0234721   -0.0519362  20  GLU   B CG   
1977 C CD   . GLU   B 8   ? 0.560981 0.803262 0.614792  -0.127047   0.00391117  -0.137512   20  GLU   B CD   
1978 O OE1  . GLU   B 8   ? 0.627579 0.846603 0.725547  -0.122533   0.00757844  -0.193097   20  GLU   B OE1  
1979 O OE2  . GLU   B 8   ? 0.601998 0.881083 0.758982  -0.103031   0.0888086   -0.178747   20  GLU   B OE2  
1980 H H    . GLU   B 8   ? 0.393662 0.47605  0.263598  -0.0543008  -0.0331613  -0.0724754  20  GLU   B H    
1981 H HA   . GLU   B 8   ? 0.421696 0.532898 0.269512  -0.0243025  -0.0272982  -0.046048   20  GLU   B HA   
1982 H HB2  . GLU   B 8   ? 0.442151 0.58788  0.364236  -0.0639916  -0.00671535 -0.0659937  20  GLU   B HB2  
1983 H HB3  . GLU   B 8   ? 0.456503 0.619011 0.360621  -0.0476462  -0.0161971  -0.0643195  20  GLU   B HB3  
1984 H HG2  . GLU   B 8   ? 0.464623 0.69674  0.470867  -0.0722143  0.00733493  -0.0637115  20  GLU   B HG2  
1985 H HG3  . GLU   B 8   ? 0.446283 0.656289 0.476144  -0.0853616  0.0212478   -0.059859   20  GLU   B HG3  
1986 N N    . GLN   B 9   ? 0.382879 0.512188 0.272835  -0.0147264  -0.0445282  -0.0292968  21  GLN   B N    
1987 C CA   . GLN   B 9   ? 0.433417 0.485519 0.262499  -0.0178885  -0.0264107  -0.0564734  21  GLN   B CA   
1988 C C    . GLN   B 9   ? 0.407656 0.42905  0.27412   -0.020537   -0.0050437  -0.0340477  21  GLN   B C    
1989 O O    . GLN   B 9   ? 0.453697 0.430738 0.283802  -0.016036   0.01915     -0.0331031  21  GLN   B O    
1990 C CB   . GLN   B 9   ? 0.47499  0.468054 0.326682  -0.00216691 -0.00373425 -0.0602437  21  GLN   B CB   
1991 C CG   . GLN   B 9   ? 0.509887 0.498692 0.324583  -0.00948859 -0.0599122  -0.0763285  21  GLN   B CG   
1992 C CD   . GLN   B 9   ? 0.543876 0.518868 0.381244  -0.0284887  -0.0745062  -0.101663   21  GLN   B CD   
1993 O OE1  . GLN   B 9   ? 0.630803 0.624618 0.483405  -0.0541846  -0.0907602  -0.145574   21  GLN   B OE1  
1994 N NE2  . GLN   B 9   ? 0.520247 0.465833 0.387069  -0.0245782  -0.0717925  -0.0975348  21  GLN   B NE2  
1995 H H    . GLN   B 9   ? 0.390149 0.483519 0.275494  -0.027034   -0.0319154  -0.0384893  21  GLN   B H    
1996 H HA   . GLN   B 9   ? 0.442793 0.498612 0.271483  -0.00485086 -0.0252806  -0.0466585  21  GLN   B HA   
1997 H HB2  . GLN   B 9   ? 0.462533 0.458621 0.318146  -0.0161252  -0.0147565  -0.0672243  21  GLN   B HB2  
1998 H HB3  . GLN   B 9   ? 0.485177 0.480806 0.304845  -0.0026433  -0.0142804  -0.0685419  21  GLN   B HB3  
1999 H HG2  . GLN   B 9   ? 0.519175 0.516379 0.32782   -0.00115724 -0.0582907  -0.0727993  21  GLN   B HG2  
2000 H HG3  . GLN   B 9   ? 0.493288 0.496587 0.342284  -0.0159822  -0.0553365  -0.0719571  21  GLN   B HG3  
2001 H HE21 . GLN   B 9   ? 0.528875 0.459994 0.396362  -0.0336254  -0.0696299  -0.102642   21  GLN   B HE21 
2002 H HE22 . GLN   B 9   ? 0.532266 0.475569 0.373117  -0.0180492  -0.062767   -0.0973269  21  GLN   B HE22 
2003 N N    . GLY   B 10  ? 0.376988 0.422979 0.236028  -0.0238503  0.00867397  -0.0594039  22  GLY   B N    
2004 C CA   . GLY   B 10  ? 0.391464 0.411812 0.135266  -0.0234822  0.0306871   -0.0602169  22  GLY   B CA   
2005 C C    . GLY   B 10  ? 0.397965 0.407041 0.166348  -0.00027008 0.0290375   -0.0672925  22  GLY   B C    
2006 O O    . GLY   B 10  ? 0.386694 0.423424 0.177986  0.0123374   -0.00100616 -0.0330775  22  GLY   B O    
2007 H H    . GLY   B 10  ? 0.375786 0.421481 0.224134  -0.0256384  0.00521356  -0.051157   22  GLY   B H    
2008 H HA2  . GLY   B 10  ? 0.393274 0.410569 0.167541  -0.021257   0.0277043   -0.0680234  22  GLY   B HA2  
2009 H HA3  . GLY   B 10  ? 0.372497 0.393568 0.141304  -0.0250566  0.0300776   -0.0571138  22  GLY   B HA3  
2010 N N    . GLU   B 11  ? 0.395068 0.406732 0.208182  -0.0197764  0.017997    -0.0566659  23  GLU   B N    
2011 C CA   . GLU   B 11  ? 0.416667 0.397898 0.207379  -0.0126899  0.0558265   -0.0660048  23  GLU   B CA   
2012 C C    . GLU   B 11  ? 0.366113 0.384413 0.170939  0.00757268  0.0345226   -0.0287056  23  GLU   B C    
2013 O O    . GLU   B 11  ? 0.361138 0.360341 0.207995  0.0104826   0.0257952   0.024817    23  GLU   B O    
2014 C CB   . GLU   B 11  ? 0.424248 0.413228 0.205517  0.0104123   0.0775225   -0.0768614  23  GLU   B CB   
2015 C CG   . GLU   B 11  ? 0.431567 0.480006 0.247692  -0.0097646  0.0624468   -0.0917801  23  GLU   B CG   
2016 C CD   . GLU   B 11  ? 0.444794 0.466028 0.363005  -0.0182367  0.0891053   -0.100316   23  GLU   B CD   
2017 O OE1  . GLU   B 11  ? 0.486072 0.52168  0.54668   0.0105363   0.0997281   -0.126677   23  GLU   B OE1  
2018 O OE2  . GLU   B 11  ? 0.46049  0.601986 0.410664  -0.0619526  0.0890813   -0.108687   23  GLU   B OE2  
2019 H H    . GLU   B 11  ? 0.397609 0.402116 0.203269  -0.0156646  0.0309232   -0.0690561  23  GLU   B H    
2020 H HA   . GLU   B 11  ? 0.421719 0.41821  0.201099  -0.00245261 0.0495049   -0.058931   23  GLU   B HA   
2021 H HB2  . GLU   B 11  ? 0.436257 0.436603 0.215242  0.00634724  0.0677233   -0.0879764  23  GLU   B HB2  
2022 H HB3  . GLU   B 11  ? 0.411173 0.41036  0.217142  0.00018033  0.066826    -0.0806565  23  GLU   B HB3  
2023 H HG2  . GLU   B 11  ? 0.423177 0.444078 0.254673  -0.0122411  0.0719369   -0.0828523  23  GLU   B HG2  
2024 H HG3  . GLU   B 11  ? 0.44882  0.471088 0.25631   -0.00427192 0.0743829   -0.0833051  23  GLU   B HG3  
2025 N N    . ASP   B 12  ? 0.392956 0.369966 0.147175  -0.0152549  0.0206442   -0.0358949  24  ASP   B N    
2026 C CA   . ASP   B 12  ? 0.401595 0.330997 0.149063  -0.00127004 0.0499847   -0.0122318  24  ASP   B CA   
2027 C C    . ASP   B 12  ? 0.387068 0.350829 0.202194  -0.00985073 0.0698301   -0.00654863 24  ASP   B C    
2028 O O    . ASP   B 12  ? 0.377147 0.388691 0.226843  -0.0236073  0.0519153   0.00925296  24  ASP   B O    
2029 C CB   . ASP   B 12  ? 0.407353 0.342297 0.187647  0.00695592  0.0618024   -0.0208671  24  ASP   B CB   
2030 C CG   . ASP   B 12  ? 0.376126 0.353684 0.201851  0.00237729  0.0656496   -0.030937   24  ASP   B CG   
2031 O OD1  . ASP   B 12  ? 0.382251 0.37611  0.184722  -0.0131706  0.0486664   0.00400117  24  ASP   B OD1  
2032 O OD2  . ASP   B 12  ? 0.387177 0.368492 0.183112  -0.00574965 0.0486299   -0.0283793  24  ASP   B OD2  
2033 H H    . ASP   B 12  ? 0.40728  0.380977 0.152211  -0.00096136 0.0316692   -0.0257131  24  ASP   B H    
2034 H HA   . ASP   B 12  ? 0.378462 0.329237 0.157243  -0.00694852 0.0477902   -0.0170121  24  ASP   B HA   
2035 H HB2  . ASP   B 12  ? 0.406315 0.351391 0.179167  0.0128158   0.0537      -0.0226079  24  ASP   B HB2  
2036 H HB3  . ASP   B 12  ? 0.419706 0.357793 0.184861  0.00679049  0.0637341   -0.0163904  24  ASP   B HB3  
2037 N N    . ILE   B 13  ? 0.340724 0.356339 0.176856  -0.019336   0.076284    -0.0304585  25  ILE   B N    
2038 C CA   . ILE   B 13  ? 0.362841 0.355601 0.184806  -0.0208456  0.0567121   -0.0191105  25  ILE   B CA   
2039 C C    . ILE   B 13  ? 0.335826 0.360078 0.228586  -0.00851    0.0349054   -0.0412779  25  ILE   B C    
2040 O O    . ILE   B 13  ? 0.353365 0.390215 0.259156  0.0226317   0.0372602   -0.0401585  25  ILE   B O    
2041 C CB   . ILE   B 13  ? 0.373533 0.38903  0.221592  -0.0370049  0.0368675   -0.0476834  25  ILE   B CB   
2042 C CG1  . ILE   B 13  ? 0.378586 0.380276 0.215876  -0.0145031  0.0532944   -0.0197578  25  ILE   B CG1  
2043 C CG2  . ILE   B 13  ? 0.416921 0.409399 0.218637  0.00341394  0.0362844   -0.0740352  25  ILE   B CG2  
2044 C CD1  . ILE   B 13  ? 0.398911 0.370921 0.188074  0.00210125  0.0603829   -0.037406   25  ILE   B CD1  
2045 H H    . ILE   B 13  ? 0.342148 0.340677 0.177365  -0.0171281  0.0655736   -0.0243706  25  ILE   B H    
2046 H HA   . ILE   B 13  ? 0.365959 0.377442 0.19649   -0.0240317  0.0656301   -0.0240114  25  ILE   B HA   
2047 H HB   . ILE   B 13  ? 0.371646 0.391815 0.223004  -0.0270155  0.0471603   -0.040384   25  ILE   B HB   
2048 H HG12 . ILE   B 13  ? 0.381876 0.372624 0.204402  -0.0126215  0.0466829   -0.030866   25  ILE   B HG12 
2049 H HG13 . ILE   B 13  ? 0.378047 0.372399 0.212808  -0.0199555  0.0469582   -0.0213601  25  ILE   B HG13 
2050 H HG21 . ILE   B 13  ? 0.402641 0.408038 0.226091  -0.00316679 0.0375152   -0.0722586  25  ILE   B HG21 
2051 H HG22 . ILE   B 13  ? 0.412719 0.401952 0.214697  -0.00239067 0.0333414   -0.0700405  25  ILE   B HG22 
2052 H HG23 . ILE   B 13  ? 0.418492 0.421365 0.226476  -0.00542358 0.0419972   -0.0668752  25  ILE   B HG23 
2053 H HD11 . ILE   B 13  ? 0.393702 0.380756 0.20547   -0.00345173 0.0614821   -0.0326033  25  ILE   B HD11 
2054 H HD12 . ILE   B 13  ? 0.385067 0.36176  0.193944  -0.00211994 0.0548495   -0.0333537  25  ILE   B HD12 
2055 H HD13 . ILE   B 13  ? 0.395021 0.375841 0.198197  0.00229309  0.0590172   -0.0414781  25  ILE   B HD13 
2056 N N    . THR   B 14  ? 0.351112 0.35294  0.215674  -0.00010727 0.029503    -0.00827113 26  THR   B N    
2057 C CA   . THR   B 14  ? 0.371746 0.337493 0.246822  -0.0141842  0.0420699   -0.00854545 26  THR   B CA   
2058 C C    . THR   B 14  ? 0.39854  0.351079 0.301123  -0.0422877  0.0483807   -0.00867307 26  THR   B C    
2059 O O    . THR   B 14  ? 0.435287 0.41783  0.265959  -0.102708   0.0655549   -0.0123348  26  THR   B O    
2060 C CB   . THR   B 14  ? 0.395607 0.329931 0.237941  -0.0325439  0.0342124   -0.0268223  26  THR   B CB   
2061 O OG1  . THR   B 14  ? 0.42024  0.344725 0.206268  -0.00882792 0.0529997   0.00943238  26  THR   B OG1  
2062 C CG2  . THR   B 14  ? 0.429991 0.307347 0.227275  -0.0427781  0.00147108  -0.024238   26  THR   B CG2  
2063 H H    . THR   B 14  ? 0.352374 0.34875  0.215598  0.00176807  0.0305411   -0.0165209  26  THR   B H    
2064 H HA   . THR   B 14  ? 0.362852 0.339206 0.252219  -0.0243245  0.0353343   -0.0150112  26  THR   B HA   
2065 H HB   . THR   B 14  ? 0.411411 0.32155  0.236073  -0.0336961  0.0308846   -0.017253   26  THR   B HB   
2066 H HG1  . THR   B 14  ? 0.253303 0.253303 0.253303  0           0           0           26  THR   B HG1  
2067 H HG21 . THR   B 14  ? 0.423232 0.308582 0.226185  -0.0361434  0.00424339  -0.0240707  26  THR   B HG21 
2068 H HG22 . THR   B 14  ? 0.406639 0.313899 0.224067  -0.0353116  0.00950221  -0.0292036  26  THR   B HG22 
2069 H HG23 . THR   B 14  ? 0.406506 0.308394 0.230533  -0.0420623  0.0071626   -0.0282633  26  THR   B HG23 
2070 N N    . SER   B 15  ? 0.38445  0.392073 0.272171  -0.061775   0.0333623   -0.0153245  27  SER   B N    
2071 C CA   . SER   B 15  ? 0.417862 0.385741 0.285516  -0.0666821  0.0297205   0.0219809   27  SER   B CA   
2072 C C    . SER   B 15  ? 0.417691 0.35565  0.30803   -0.090739   0.0454738   0.0130751   27  SER   B C    
2073 O O    . SER   B 15  ? 0.469313 0.414158 0.315043  -0.0959124  0.0510607   0.0654967   27  SER   B O    
2074 C CB   . SER   B 15  ? 0.395848 0.386881 0.423834  -0.0842565  0.0206352   0.00655322  27  SER   B CB   
2075 O OG   . SER   B 15  ? 0.44982  0.469609 0.49756   -0.0637284  0.012631    0.00144253  27  SER   B OG   
2076 H H    . SER   B 15  ? 0.380395 0.372868 0.280447  -0.0593344  0.0287572   -0.0101578  27  SER   B H    
2077 H HA   . SER   B 15  ? 0.407813 0.397408 0.309917  -0.0746143  0.0439136   0.0122894   27  SER   B HA   
2078 H HB2  . SER   B 15  ? 0.416545 0.386859 0.404858  -0.0790489  0.0111138   0.0078198   27  SER   B HB2  
2079 H HB3  . SER   B 15  ? 0.434594 0.405159 0.419829  -0.092749   0.0267603   0.0169444   27  SER   B HB3  
2080 H HG   . SER   B 15  ? 0.253303 0.253303 0.253303  0           0           0           27  SER   B HG   
2081 N N    . LYS   B 16  ? 0.4137   0.402217 0.259465  -0.0545042  0.0272233   0.0117512   28  LYS   B N    
2082 C CA   . LYS   B 16  ? 0.464094 0.379821 0.322275  -0.04468    0.0488866   0.0192963   28  LYS   B CA   
2083 C C    . LYS   B 16  ? 0.435077 0.360549 0.333905  -0.03852    0.0518447   0.0263467   28  LYS   B C    
2084 O O    . LYS   B 16  ? 0.482304 0.326402 0.318946  -0.0269371  0.0672615   0.0165035   28  LYS   B O    
2085 C CB   . LYS   B 16  ? 0.482161 0.43444  0.31605   -0.0318269  0.0384021   0.00910188  28  LYS   B CB   
2086 C CG   . LYS   B 16  ? 0.492807 0.45695  0.378546  -0.043479   0.0452081   0.00362754  28  LYS   B CG   
2087 C CD   . LYS   B 16  ? 0.594531 0.56523  0.398194  -0.00196755 0.0112409   -0.0608757  28  LYS   B CD   
2088 C CE   . LYS   B 16  ? 0.675176 0.62747  0.546671  -0.0254475  -0.0353424  -0.0366125  28  LYS   B CE   
2089 N NZ   . LYS   B 16  ? 0.755346 0.671612 0.720141  -0.0284066  -0.0448463  0.0515559   28  LYS   B NZ   
2090 H H    . LYS   B 16  ? 0.400064 0.375197 0.274248  -0.0581     0.0291783   0.006239    28  LYS   B H    
2091 H HA   . LYS   B 16  ? 0.479886 0.393086 0.327893  -0.0562911  0.048859    0.0245506   28  LYS   B HA   
2092 H HB2  . LYS   B 16  ? 0.455689 0.421307 0.314325  -0.0241625  0.0369037   0.00385137  28  LYS   B HB2  
2093 H HB3  . LYS   B 16  ? 0.498877 0.42186  0.3273    -0.0250958  0.0408374   0.0120152   28  LYS   B HB3  
2094 H HG2  . LYS   B 16  ? 0.52555  0.470497 0.385406  -0.0542697  0.0434765   0.00012966  28  LYS   B HG2  
2095 H HG3  . LYS   B 16  ? 0.485206 0.467947 0.367724  -0.0427747  0.0351058   -0.0097359  28  LYS   B HG3  
2096 H HD2  . LYS   B 16  ? 0.564515 0.546867 0.408423  0.00032084  0.00350451  -0.0471683  28  LYS   B HD2  
2097 H HD3  . LYS   B 16  ? 0.604646 0.543708 0.4187    -0.00711261 0.0138716   -0.037462   28  LYS   B HD3  
2098 H HE2  . LYS   B 16  ? 0.69937  0.613483 0.5414    -0.0212057  -0.0282852  -0.025987   28  LYS   B HE2  
2099 H HE3  . LYS   B 16  ? 0.684915 0.619949 0.548494  -0.0369337  -0.0249021  -0.0246459  28  LYS   B HE3  
2100 H HZ1  . LYS   B 16  ? 0.726668 0.650614 0.640711  -0.0110526  -0.0532165  0.0152801   28  LYS   B HZ1  
2101 H HZ2  . LYS   B 16  ? 0.697997 0.673911 0.644833  -0.035393   -0.0445916  0.0269433   28  LYS   B HZ2  
2102 H HZ3  . LYS   B 16  ? 0.743279 0.665282 0.675756  -0.0277315  -0.0343166  0.0241855   28  LYS   B HZ3  
2103 N N    . LYS   B 17  ? 0.357053 0.391534 0.306354  -0.0312502  0.087645    0.014375    29  LYS   B N    
2104 C CA   . LYS   B 17  ? 0.421039 0.393726 0.263226  -0.0504745  0.0630505   0.0082074   29  LYS   B CA   
2105 C C    . LYS   B 17  ? 0.430952 0.369455 0.284408  -0.0345093  0.0324948   0.0562228   29  LYS   B C    
2106 O O    . LYS   B 17  ? 0.462368 0.401745 0.265281  -0.0414367  0.00211704  0.0140187   29  LYS   B O    
2107 C CB   . LYS   B 17  ? 0.44521  0.446901 0.261698  -0.0337151  0.0340305   0.0164686   29  LYS   B CB   
2108 C CG   . LYS   B 17  ? 0.471797 0.496002 0.262405  -0.0292591  0.0683569   0.00648514  29  LYS   B CG   
2109 C CD   . LYS   B 17  ? 0.432944 0.495355 0.314597  -0.00445293 0.0400943   0.01269     29  LYS   B CD   
2110 C CE   . LYS   B 17  ? 0.425852 0.607213 0.423466  0.0122308   0.0339851   -0.0250309  29  LYS   B CE   
2111 N NZ   . LYS   B 17  ? 0.483283 0.628682 0.465359  -0.0139373  0.0246522   -0.0345273  29  LYS   B NZ   
2112 H H    . LYS   B 17  ? 0.366389 0.380284 0.301704  -0.0430181  0.0725544   0.0118431   29  LYS   B H    
2113 H HA   . LYS   B 17  ? 0.389834 0.397089 0.266477  -0.0396086  0.0552799   0.012283    29  LYS   B HA   
2114 H HB2  . LYS   B 17  ? 0.474527 0.44465  0.271589  -0.0360499  0.049335    0.0208104   29  LYS   B HB2  
2115 H HB3  . LYS   B 17  ? 0.448315 0.452164 0.252124  -0.0249156  0.039004    0.0130392   29  LYS   B HB3  
2116 H HG2  . LYS   B 17  ? 0.45975  0.480517 0.289207  -0.0393635  0.0623373   0.0125736   29  LYS   B HG2  
2117 H HG3  . LYS   B 17  ? 0.485186 0.497548 0.282597  -0.0291227  0.0644362   0.0216007   29  LYS   B HG3  
2118 H HD2  . LYS   B 17  ? 0.437224 0.517504 0.308244  0.00537491  0.0382331   0.00094243  29  LYS   B HD2  
2119 H HD3  . LYS   B 17  ? 0.412705 0.497507 0.307279  -0.00693681 0.0383964   -0.00099011 29  LYS   B HD3  
2120 H HE2  . LYS   B 17  ? 0.467229 0.604646 0.413394  0.00385107  0.0412846   -0.0141593  29  LYS   B HE2  
2121 H HE3  . LYS   B 17  ? 0.435345 0.598425 0.397688  0.0113451   0.0346793   -0.0199684  29  LYS   B HE3  
2122 H HZ1  . LYS   B 17  ? 0.47026  0.617493 0.46254   -0.017503   0.0295352   -0.0251508  29  LYS   B HZ1  
2123 H HZ2  . LYS   B 17  ? 0.441013 0.609803 0.451415  -0.0078119  0.020329    -0.0400524  29  LYS   B HZ2  
2124 H HZ3  . LYS   B 17  ? 0.468426 0.63555  0.465531  -0.0162873  0.0295564   -0.0292114  29  LYS   B HZ3  
2125 N N    . ASP   B 18  ? 0.398805 0.365048 0.216926  -0.0438066  0.0163211   0.0402758   30  ASP   B N    
2126 C CA   . ASP   B 18  ? 0.410102 0.35943  0.242605  -0.00258796 0.0274417   0.0297801   30  ASP   B CA   
2127 C C    . ASP   B 18  ? 0.369055 0.338387 0.2587    0.00965364  0.0242364   -0.0103198  30  ASP   B C    
2128 O O    . ASP   B 18  ? 0.37282  0.382308 0.249997  0.0208172   0.0550958   0.0188394   30  ASP   B O    
2129 C CB   . ASP   B 18  ? 0.392542 0.346183 0.273953  -0.00466461 0.0282296   0.0175988   30  ASP   B CB   
2130 C CG   . ASP   B 18  ? 0.400373 0.32477  0.256358  -0.0202152  0.0478258   0.0210369   30  ASP   B CG   
2131 O OD1  . ASP   B 18  ? 0.366364 0.317353 0.245531  0.00795436  0.0173828   -0.0025241  30  ASP   B OD1  
2132 O OD2  . ASP   B 18  ? 0.424708 0.351628 0.216887  -0.0278473  0.0474625   -0.0045963  30  ASP   B OD2  
2133 H H    . ASP   B 18  ? 0.388898 0.356589 0.237196  -0.0422144  0.0235727   0.0370549   30  ASP   B H    
2134 H HA   . ASP   B 18  ? 0.419146 0.362569 0.248634  0.00283396  0.0235361   0.0279383   30  ASP   B HA   
2135 H HB2  . ASP   B 18  ? 0.403979 0.34495  0.263082  0.00493735  0.0315237   0.0207789   30  ASP   B HB2  
2136 H HB3  . ASP   B 18  ? 0.425882 0.343094 0.272846  -0.00876613 0.0350213   0.02561     30  ASP   B HB3  
2137 N N    . ARG   B 19  ? 0.340476 0.365738 0.242995  0.0195129   0.0270876   -0.00459053 31  ARG   B N    
2138 C CA   . ARG   B 19  ? 0.359173 0.339964 0.206592  0.00791909  0.0115305   -0.00597197 31  ARG   B CA   
2139 C C    . ARG   B 19  ? 0.366515 0.363388 0.215035  -0.0112414  0.0372544   -0.0150446  31  ARG   B C    
2140 O O    . ARG   B 19  ? 0.338617 0.373303 0.161277  -0.00545568 0.0190774   0.00294456  31  ARG   B O    
2141 C CB   . ARG   B 19  ? 0.356162 0.361939 0.257404  0.0184036   -0.00347996 -0.0243789  31  ARG   B CB   
2142 C CG   . ARG   B 19  ? 0.398326 0.411368 0.268308  0.0453487   -0.00232408 0.0120692   31  ARG   B CG   
2143 C CD   . ARG   B 19  ? 0.40309  0.413404 0.311287  0.0146569   -0.0153405  -0.00591553 31  ARG   B CD   
2144 N NE   . ARG   B 19  ? 0.388523 0.436014 0.27541   0.00837374  -0.0467204  0.0212823   31  ARG   B NE   
2145 C CZ   . ARG   B 19  ? 0.369158 0.428024 0.298184  0.00964788  -0.0447839  -0.00391251 31  ARG   B CZ   
2146 N NH1  . ARG   B 19  ? 0.350586 0.429156 0.259747  0.039977    -0.0437518  -0.0204561  31  ARG   B NH1  
2147 N NH2  . ARG   B 19  ? 0.350188 0.441012 0.334971  0.00140018  -0.0357682  -0.0487269  31  ARG   B NH2  
2148 H H    . ARG   B 19  ? 0.358347 0.355019 0.237762  0.00681948  0.0296952   -0.00180047 31  ARG   B H    
2149 H HA   . ARG   B 19  ? 0.350972 0.354035 0.222876  0.00346079  0.018577    -0.0137555  31  ARG   B HA   
2150 H HB2  . ARG   B 19  ? 0.368298 0.366228 0.249374  0.0306469   -0.00052567 -0.0106799  31  ARG   B HB2  
2151 H HB3  . ARG   B 19  ? 0.349061 0.367715 0.248857  0.0201561   -0.00338868 -0.0174807  31  ARG   B HB3  
2152 H HG2  . ARG   B 19  ? 0.387083 0.400636 0.273691  0.0251978   -0.00298316 -0.00304463 31  ARG   B HG2  
2153 H HG3  . ARG   B 19  ? 0.408976 0.403406 0.275292  0.0358815   -0.00032285 0.00520841  31  ARG   B HG3  
2154 H HD2  . ARG   B 19  ? 0.419404 0.433141 0.302368  0.0280196   -0.0224813  0.00636728  31  ARG   B HD2  
2155 H HD3  . ARG   B 19  ? 0.413892 0.421127 0.297588  0.0330191   -0.0204714  0.010076    31  ARG   B HD3  
2156 H HE   . ARG   B 19  ? 0.379258 0.430253 0.295463  0.0136728   -0.0417889  0.00859842  31  ARG   B HE   
2157 H HH11 . ARG   B 19  ? 0.368054 0.422938 0.265691  0.0314932   -0.0375889  -0.0114742  31  ARG   B HH11 
2158 H HH12 . ARG   B 19  ? 0.361226 0.43754  0.271654  0.0293359   -0.047559   -0.0244888  31  ARG   B HH12 
2159 H HH21 . ARG   B 19  ? 0.34518  0.44114  0.330022  0.00493832  -0.0400463  -0.0355929  31  ARG   B HH21 
2160 H HH22 . ARG   B 19  ? 0.350198 0.441225 0.329408  -0.00193117 -0.0432821  -0.0448029  31  ARG   B HH22 
2161 N N    . GLY   B 20  ? 0.374856 0.323564 0.21261   -0.0221384  0.0640618   0.00044313  32  GLY   B N    
2162 C CA   . GLY   B 20  ? 0.417891 0.330905 0.180676  0.00923776  0.048034    -0.00065426 32  GLY   B CA   
2163 C C    . GLY   B 20  ? 0.373651 0.300648 0.222562  -0.0117448  0.0594385   -0.00313906 32  GLY   B C    
2164 O O    . GLY   B 20  ? 0.349188 0.297766 0.214453  0.00129024  0.0445844   -0.00716752 32  GLY   B O    
2165 H H    . GLY   B 20  ? 0.385886 0.326309 0.208337  -0.0224364  0.0587708   0.00201522  32  GLY   B H    
2166 H HA2  . GLY   B 20  ? 0.404858 0.325258 0.200443  0.00305662  0.0495497   -0.00020402 32  GLY   B HA2  
2167 H HA3  . GLY   B 20  ? 0.406524 0.317266 0.201154  -0.00336536 0.0555486   0.00193727  32  GLY   B HA3  
2168 N N    . VAL   B 21  ? 0.326937 0.298891 0.213593  -0.0220282  0.0520997   -0.00983324 33  VAL   B N    
2169 C CA   . VAL   B 21  ? 0.313397 0.321597 0.208751  -0.0376403  0.0672983   -0.00744891 33  VAL   B CA   
2170 C C    . VAL   B 21  ? 0.340429 0.291089 0.240769  -0.0262184  0.026191    -0.0215153  33  VAL   B C    
2171 O O    . VAL   B 21  ? 0.32936  0.313441 0.232993  -0.0285434  0.0253183   -0.00518676 33  VAL   B O    
2172 C CB   . VAL   B 21  ? 0.349592 0.339551 0.162775  0.00058975  0.0305077   -0.0406095  33  VAL   B CB   
2173 C CG1  . VAL   B 21  ? 0.395665 0.341111 0.199669  -0.0158791  0.0404832   -0.0600321  33  VAL   B CG1  
2174 C CG2  . VAL   B 21  ? 0.365265 0.33407  0.139688  -0.00566711 -0.00205091 -0.0421531  33  VAL   B CG2  
2175 H H    . VAL   B 21  ? 0.345308 0.309414 0.214609  -0.0233763  0.0580065   -0.00570383 33  VAL   B H    
2176 H HA   . VAL   B 21  ? 0.315021 0.303626 0.203414  -0.0310633  0.0526828   -0.0123907  33  VAL   B HA   
2177 H HB   . VAL   B 21  ? 0.360305 0.341981 0.177286  -0.0124588  0.03508     -0.0373853  33  VAL   B HB   
2178 H HG11 . VAL   B 21  ? 0.379237 0.337329 0.192964  -0.00826424 0.0350851   -0.0565382  33  VAL   B HG11 
2179 H HG12 . VAL   B 21  ? 0.383119 0.347126 0.19636   -0.00921173 0.0393738   -0.0571972  33  VAL   B HG12 
2180 H HG13 . VAL   B 21  ? 0.385207 0.342012 0.19729   -0.0119062  0.0408285   -0.0551189  33  VAL   B HG13 
2181 H HG21 . VAL   B 21  ? 0.358772 0.335138 0.151661  -0.00666796 0.00555273  -0.0415228  33  VAL   B HG21 
2182 H HG22 . VAL   B 21  ? 0.368548 0.333604 0.146437  -0.00486485 0.00708509  -0.0386103  33  VAL   B HG22 
2183 H HG23 . VAL   B 21  ? 0.359179 0.330538 0.146495  -0.00078223 0.0038394   -0.0417166  33  VAL   B HG23 
2184 N N    . LEU   B 22  ? 0.326355 0.322969 0.178004  -0.0375096  0.00404844  -0.024243   34  LEU   B N    
2185 C CA   . LEU   B 22  ? 0.363228 0.331669 0.19072   -0.0406674  0.0231524   -0.043612   34  LEU   B CA   
2186 C C    . LEU   B 22  ? 0.352856 0.318646 0.194391  -0.0127509  0.0131681   -0.0534701  34  LEU   B C    
2187 O O    . LEU   B 22  ? 0.376807 0.347571 0.225825  -0.00063801 0.0640045   -0.044918   34  LEU   B O    
2188 C CB   . LEU   B 22  ? 0.355982 0.338784 0.179525  -0.0174905  0.0282659   -0.0354383  34  LEU   B CB   
2189 C CG   . LEU   B 22  ? 0.364748 0.359672 0.210698  0.00144926  0.0577478   -0.00306356 34  LEU   B CG   
2190 C CD1  . LEU   B 22  ? 0.354815 0.404692 0.247569  -0.0275853  0.0268168   0.00263304  34  LEU   B CD1  
2191 C CD2  . LEU   B 22  ? 0.374447 0.411795 0.197994  0.0124326   0.0447583   0.0103923   34  LEU   B CD2  
2192 H H    . LEU   B 22  ? 0.328481 0.31044  0.195221  -0.0379905  0.0138958   -0.0263785  34  LEU   B H    
2193 H HA   . LEU   B 22  ? 0.360077 0.335218 0.183799  -0.0274539  0.0224291   -0.0362945  34  LEU   B HA   
2194 H HB2  . LEU   B 22  ? 0.352169 0.339064 0.194754  -0.0229126  0.0307052   -0.0333774  34  LEU   B HB2  
2195 H HB3  . LEU   B 22  ? 0.365898 0.351953 0.187118  -0.0189719  0.0282785   -0.0410035  34  LEU   B HB3  
2196 H HG   . LEU   B 22  ? 0.356785 0.358691 0.208191  -0.00606914 0.048306    0.00156443  34  LEU   B HG   
2197 H HD11 . LEU   B 22  ? 0.34955  0.392962 0.246657  -0.021482   0.0335118   -0.00216928 34  LEU   B HD11 
2198 H HD12 . LEU   B 22  ? 0.364187 0.407222 0.237849  -0.0134621  0.0333291   0.00380539  34  LEU   B HD12 
2199 H HD13 . LEU   B 22  ? 0.363105 0.409735 0.246003  -0.0179698  0.0302284   -0.00501764 34  LEU   B HD13 
2200 H HD21 . LEU   B 22  ? 0.376243 0.392324 0.198958  0.00679139  0.0540685   0.00881533  34  LEU   B HD21 
2201 H HD22 . LEU   B 22  ? 0.382619 0.412027 0.203923  0.0122438   0.0460812   0.00260404  34  LEU   B HD22 
2202 H HD23 . LEU   B 22  ? 0.383158 0.404648 0.199874  0.0134378   0.048204    0.012127    34  LEU   B HD23 
2203 N N    . LYS   B 23  ? 0.339068 0.349291 0.198012  0.0132605   0.0319562   -0.00510408 35  LYS   B N    
2204 C CA   . LYS   B 23  ? 0.378506 0.315137 0.20596   -0.0127063  0.0650049   -0.0633946  35  LYS   B CA   
2205 C C    . LYS   B 23  ? 0.366429 0.342265 0.23731   0.0103824   0.0221581   -0.0821799  35  LYS   B C    
2206 O O    . LYS   B 23  ? 0.373124 0.357782 0.235784  -0.00861929 0.0432874   -0.0619741  35  LYS   B O    
2207 C CB   . LYS   B 23  ? 0.360203 0.336845 0.191626  -0.0164792  0.0468059   -0.0422528  35  LYS   B CB   
2208 C CG   . LYS   B 23  ? 0.345908 0.381688 0.18867   -0.00590192 0.0524109   -0.0657601  35  LYS   B CG   
2209 C CD   . LYS   B 23  ? 0.363668 0.384551 0.213894  0.00877638  0.051231    -0.0623892  35  LYS   B CD   
2210 C CE   . LYS   B 23  ? 0.390228 0.376201 0.249966  0.0224713   0.0355503   -0.0743558  35  LYS   B CE   
2211 N NZ   . LYS   B 23  ? 0.381094 0.36918  0.288168  0.0314359   0.0783315   -0.0799756  35  LYS   B NZ   
2212 H H    . LYS   B 23  ? 0.360635 0.339424 0.185723  0.00377203  0.0356439   -0.0219904  35  LYS   B H    
2213 H HA   . LYS   B 23  ? 0.35878  0.317228 0.21262   -0.007751   0.0448868   -0.0511018  35  LYS   B HA   
2214 H HB2  . LYS   B 23  ? 0.349429 0.333454 0.190009  -0.0164716  0.0543232   -0.0433675  35  LYS   B HB2  
2215 H HB3  . LYS   B 23  ? 0.364494 0.350795 0.186574  -0.0128152  0.0578455   -0.0465331  35  LYS   B HB3  
2216 H HG2  . LYS   B 23  ? 0.366249 0.376683 0.199719  -0.0022812  0.0475352   -0.0705342  35  LYS   B HG2  
2217 H HG3  . LYS   B 23  ? 0.350855 0.359266 0.201261  -0.00619624 0.0464046   -0.0617008  35  LYS   B HG3  
2218 H HD2  . LYS   B 23  ? 0.352651 0.375963 0.214577  0.00413208  0.0495019   -0.0572649  35  LYS   B HD2  
2219 H HD3  . LYS   B 23  ? 0.367863 0.393763 0.211894  0.00749442  0.0541439   -0.0619647  35  LYS   B HD3  
2220 H HE2  . LYS   B 23  ? 0.394232 0.376071 0.252586  0.0235342   0.0453512   -0.0830605  35  LYS   B HE2  
2221 H HE3  . LYS   B 23  ? 0.37921  0.362717 0.255557  0.0219619   0.0441069   -0.0737335  35  LYS   B HE3  
2222 H HZ1  . LYS   B 23  ? 0.390399 0.388688 0.27985   0.0312874   0.0729357   -0.0794682  35  LYS   B HZ1  
2223 H HZ2  . LYS   B 23  ? 0.375524 0.376839 0.282756  0.0290778   0.0702305   -0.0716315  35  LYS   B HZ2  
2224 H HZ3  . LYS   B 23  ? 0.392287 0.37984  0.29023   0.0406614   0.0694551   -0.0839875  35  LYS   B HZ3  
2225 N N    . ILE   B 24  ? 0.375736 0.332377 0.2454    0.0189779   0.0373352   -0.0997347  36  ILE   B N    
2226 C CA   . ILE   B 24  ? 0.382934 0.385906 0.223064  0.0307508   0.0259995   -0.118666   36  ILE   B CA   
2227 C C    . ILE   B 24  ? 0.421986 0.366497 0.268963  0.00804476  0.0422149   -0.0981529  36  ILE   B C    
2228 O O    . ILE   B 24  ? 0.435996 0.397505 0.273723  -0.00188521 0.049621    -0.078273   36  ILE   B O    
2229 C CB   . ILE   B 24  ? 0.418635 0.411254 0.256525  -0.00305548 0.0198536   -0.110565   36  ILE   B CB   
2230 C CG1  . ILE   B 24  ? 0.375883 0.437449 0.296851  0.00236424  0.0217411   -0.152374   36  ILE   B CG1  
2231 C CG2  . ILE   B 24  ? 0.433101 0.45687  0.360485  -0.00487003 -0.0091855  -0.156635   36  ILE   B CG2  
2232 C CD1  . ILE   B 24  ? 0.372976 0.441743 0.287684  -0.00499808 -0.004504   -0.166591   36  ILE   B CD1  
2233 H H    . ILE   B 24  ? 0.366676 0.33257  0.24517   0.0145885   0.0298596   -0.0972262  36  ILE   B H    
2234 H HA   . ILE   B 24  ? 0.401192 0.391646 0.234796  0.0244781   0.0329235   -0.110231   36  ILE   B HA   
2235 H HB   . ILE   B 24  ? 0.397853 0.399375 0.271941  -0.00578161 0.0190409   -0.118675   36  ILE   B HB   
2236 H HG12 . ILE   B 24  ? 0.390561 0.446481 0.28151   0.00795829  0.0151969   -0.147917   36  ILE   B HG12 
2237 H HG13 . ILE   B 24  ? 0.366018 0.42134  0.27385   0.00030758  0.0192896   -0.133253   36  ILE   B HG13 
2238 H HG21 . ILE   B 24  ? 0.442503 0.455249 0.343675  -0.0103186  -0.0109389  -0.155822   36  ILE   B HG21 
2239 H HG22 . ILE   B 24  ? 0.446048 0.464349 0.335831  0.00550731  -0.00385165 -0.154672   36  ILE   B HG22 
2240 H HG23 . ILE   B 24  ? 0.446077 0.444388 0.34173   -0.00250611 0.00164079  -0.151674   36  ILE   B HG23 
2241 H HD11 . ILE   B 24  ? 0.369404 0.43123  0.30181   -0.0123549  0.00028742  -0.162945   36  ILE   B HD11 
2242 H HD12 . ILE   B 24  ? 0.369784 0.44988  0.2888    -0.00432083 -0.00431772 -0.161141   36  ILE   B HD12 
2243 H HD13 . ILE   B 24  ? 0.393755 0.453642 0.301407  -0.00538614 -0.00550097 -0.177573   36  ILE   B HD13 
2244 N N    . VAL   B 25  ? 0.43252  0.418103 0.264507  0.0469441   0.0574928   -0.101262   37  VAL   B N    
2245 C CA   . VAL   B 25  ? 0.438796 0.436249 0.249355  0.0462244   0.0466022   -0.11076    37  VAL   B CA   
2246 C C    . VAL   B 25  ? 0.486227 0.405171 0.267437  0.0252262   0.0240865   -0.10513    37  VAL   B C    
2247 O O    . VAL   B 25  ? 0.55178  0.462905 0.215776  0.0138325   0.0239226   -0.127559   37  VAL   B O    
2248 C CB   . VAL   B 25  ? 0.469657 0.452202 0.253362  0.0553051   0.0598328   -0.130527   37  VAL   B CB   
2249 C CG1  . VAL   B 25  ? 0.514677 0.486258 0.325624  0.0882498   0.0479578   -0.125955   37  VAL   B CG1  
2250 C CG2  . VAL   B 25  ? 0.457631 0.434177 0.258926  0.066512    0.10426     -0.126209   37  VAL   B CG2  
2251 H H    . VAL   B 25  ? 0.4354   0.42551  0.254044  0.0403711   0.0533213   -0.104129   37  VAL   B H    
2252 H HA   . VAL   B 25  ? 0.437852 0.412412 0.254863  0.042449    0.0461579   -0.102802   37  VAL   B HA   
2253 H HB   . VAL   B 25  ? 0.481792 0.467539 0.255328  0.0635443   0.0614343   -0.12986    37  VAL   B HB   
2254 H HG11 . VAL   B 25  ? 0.501188 0.465522 0.320878  0.0817339   0.052416    -0.127863   37  VAL   B HG11 
2255 H HG12 . VAL   B 25  ? 0.530548 0.485424 0.320652  0.0859847   0.0495802   -0.138616   37  VAL   B HG12 
2256 H HG13 . VAL   B 25  ? 0.516792 0.494667 0.313406  0.0923751   0.0584382   -0.130879   37  VAL   B HG13 
2257 H HG21 . VAL   B 25  ? 0.457905 0.456072 0.258636  0.0697514   0.102854    -0.123847   37  VAL   B HG21 
2258 H HG22 . VAL   B 25  ? 0.443339 0.433496 0.244567  0.0573655   0.0922302   -0.11765    37  VAL   B HG22 
2259 H HG23 . VAL   B 25  ? 0.442163 0.426602 0.263767  0.0612547   0.0939498   -0.119744   37  VAL   B HG23 
2260 N N    . LYS   B 26  ? 0.486949 0.419807 0.262274  0.0187384   -0.01422    -0.0895126  38  LYS   B N    
2261 C CA   . LYS   B 26  ? 0.529017 0.404896 0.337545  0.0181495   0.0338618   -0.0910993  38  LYS   B CA   
2262 C C    . LYS   B 26  ? 0.559777 0.370721 0.388488  0.0162539   0.0182475   -0.132215   38  LYS   B C    
2263 O O    . LYS   B 26  ? 0.605489 0.407669 0.458913  0.0329537   -0.0385805  -0.181999   38  LYS   B O    
2264 C CB   . LYS   B 26  ? 0.544409 0.417335 0.346081  -0.00515506 0.0124967   -0.0696846  38  LYS   B CB   
2265 C CG   . LYS   B 26  ? 0.500518 0.420066 0.333858  0.00414942  0.0186018   -0.08007    38  LYS   B CG   
2266 C CD   . LYS   B 26  ? 0.543596 0.487484 0.381722  0.0138402   0.00963495  -0.0675852  38  LYS   B CD   
2267 C CE   . LYS   B 26  ? 0.569853 0.541869 0.350952  -0.0232022  -0.0674795  -0.0729595  38  LYS   B CE   
2268 N NZ   . LYS   B 26  ? 0.612718 0.575005 0.382688  0.00844651  -0.074026   -0.0479861  38  LYS   B NZ   
2269 H H    . LYS   B 26  ? 0.473244 0.398553 0.259053  0.0216579   -8.906e-05  -0.0849595  38  LYS   B H    
2270 H HA   . LYS   B 26  ? 0.538018 0.417536 0.334541  0.00704372  0.0150004   -0.104465   38  LYS   B HA   
2271 H HB2  . LYS   B 26  ? 0.529237 0.401087 0.347013  0.00725621  0.0222649   -0.0700542  38  LYS   B HB2  
2272 H HB3  . LYS   B 26  ? 0.559257 0.415132 0.367167  -0.00213944 0.0138763   -0.0866889  38  LYS   B HB3  
2273 H HG2  . LYS   B 26  ? 0.489191 0.417462 0.324974  0.00425355  0.0202385   -0.0627899  38  LYS   B HG2  
2274 H HG3  . LYS   B 26  ? 0.51118  0.41731  0.351874  -0.00788296 0.0154728   -0.0665721  38  LYS   B HG3  
2275 H HD2  . LYS   B 26  ? 0.548791 0.495248 0.359119  0.0123312   -0.00846453 -0.0800464  38  LYS   B HD2  
2276 H HD3  . LYS   B 26  ? 0.514414 0.483555 0.340667  0.00388907  -0.00591355 -0.0646601  38  LYS   B HD3  
2277 H HE2  . LYS   B 26  ? 0.563286 0.522436 0.372366  -0.018647   -0.0473682  -0.0586388  38  LYS   B HE2  
2278 H HE3  . LYS   B 26  ? 0.600165 0.538698 0.387395  -0.0107485  -0.0513719  -0.0741013  38  LYS   B HE3  
2279 H HZ1  . LYS   B 26  ? 0.579519 0.572434 0.360738  -0.00346283 -0.0754576  -0.0505462  38  LYS   B HZ1  
2280 H HZ2  . LYS   B 26  ? 0.611359 0.583027 0.372639  0.00601225  -0.0784464  -0.0661452  38  LYS   B HZ2  
2281 H HZ3  . LYS   B 26  ? 0.617992 0.583237 0.393413  -0.00915963 -0.0821052  -0.0658117  38  LYS   B HZ3  
2282 N N    . ARG   B 27  ? 0.537848 0.388523 0.350299  0.0326722   0.0248872   -0.114925   39  ARG   B N    
2283 C CA   . ARG   B 27  ? 0.569727 0.407512 0.351036  0.0611628   0.0379462   -0.148926   39  ARG   B CA   
2284 C C    . ARG   B 27  ? 0.560021 0.451113 0.276695  0.0792937   0.0875441   -0.173293   39  ARG   B C    
2285 O O    . ARG   B 27  ? 0.547777 0.453984 0.348751  0.0393724   0.0162558   -0.153926   39  ARG   B O    
2286 C CB   . ARG   B 27  ? 0.587597 0.433477 0.426751  0.058536    0.0227817   -0.13569    39  ARG   B CB   
2287 C CG   . ARG   B 27  ? 0.63915  0.445342 0.483538  0.0925686   0.0373896   -0.146324   39  ARG   B CG   
2288 C CD   . ARG   B 27  ? 0.640273 0.445341 0.503803  0.097731    0.0304871   -0.129655   39  ARG   B CD   
2289 N NE   . ARG   B 27  ? 0.649579 0.431279 0.453078  0.110692    0.0500077   -0.134033   39  ARG   B NE   
2290 C CZ   . ARG   B 27  ? 0.678725 0.44469  0.451041  0.083787    0.0437822   -0.134932   39  ARG   B CZ   
2291 N NH1  . ARG   B 27  ? 0.625461 0.436977 0.407646  0.115197    0.037092    -0.106769   39  ARG   B NH1  
2292 N NH2  . ARG   B 27  ? 0.725876 0.425002 0.433019  0.0683216   0.0379199   -0.171291   39  ARG   B NH2  
2293 H H    . ARG   B 27  ? 0.519151 0.377261 0.345376  0.0335245   0.0304223   -0.110503   39  ARG   B H    
2294 H HA   . ARG   B 27  ? 0.592704 0.432124 0.355171  0.0605965   0.0387675   -0.161415   39  ARG   B HA   
2295 H HB2  . ARG   B 27  ? 0.598783 0.411659 0.429213  0.0500813   0.0222121   -0.140439   39  ARG   B HB2  
2296 H HB3  . ARG   B 27  ? 0.572315 0.413159 0.415325  0.0651157   0.0318402   -0.127024   39  ARG   B HB3  
2297 H HG2  . ARG   B 27  ? 0.624931 0.463729 0.467278  0.103792    0.0408572   -0.141615   39  ARG   B HG2  
2298 H HG3  . ARG   B 27  ? 0.653242 0.459839 0.484184  0.0883856   0.0323224   -0.154775   39  ARG   B HG3  
2299 H HD2  . ARG   B 27  ? 0.686954 0.457056 0.513867  0.110003    0.0354109   -0.146764   39  ARG   B HD2  
2300 H HD3  . ARG   B 27  ? 0.657701 0.42781  0.50094   0.0816857   0.0303827   -0.137953   39  ARG   B HD3  
2301 H HE   . ARG   B 27  ? 0.621425 0.44651  0.443308  0.106527    0.0493175   -0.125824   39  ARG   B HE   
2302 H HH11 . ARG   B 27  ? 0.60603  0.443553 0.401126  0.109322    0.0419613   -0.10506    39  ARG   B HH11 
2303 H HH12 . ARG   B 27  ? 0.648906 0.431099 0.427263  0.116815    0.0371998   -0.101921   39  ARG   B HH12 
2304 H HH21 . ARG   B 27  ? 0.742929 0.429737 0.449956  0.067172    0.0314531   -0.17699    39  ARG   B HH21 
2305 H HH22 . ARG   B 27  ? 0.727859 0.414884 0.450954  0.0679364   0.0359691   -0.152921   39  ARG   B HH22 
2306 N N    . VAL   B 28  ? 0.602374 0.515334 0.298606  0.114539    0.124028    -0.175002   40  VAL   B N    
2307 C CA   . VAL   B 28  ? 0.582823 0.564683 0.344796  0.128559    0.108028    -0.152745   40  VAL   B CA   
2308 C C    . VAL   B 28  ? 0.605192 0.576148 0.392977  0.142317    0.113834    -0.153478   40  VAL   B C    
2309 O O    . VAL   B 28  ? 0.664694 0.553618 0.373211  0.0913011   0.0357439   -0.12535    40  VAL   B O    
2310 C CB   . VAL   B 28  ? 0.618904 0.619767 0.346585  0.159446    0.15557     -0.189391   40  VAL   B CB   
2311 C CG1  . VAL   B 28  ? 0.651761 0.644266 0.418744  0.130007    0.135982    -0.127863   40  VAL   B CG1  
2312 C CG2  . VAL   B 28  ? 0.659974 0.676069 0.347319  0.133168    0.143826    -0.155151   40  VAL   B CG2  
2313 H H    . VAL   B 28  ? 0.619256 0.519663 0.315705  0.111873    0.108055    -0.183061   40  VAL   B H    
2314 H HA   . VAL   B 28  ? 0.56104  0.558545 0.324693  0.121102    0.121274    -0.148291   40  VAL   B HA   
2315 H HB   . VAL   B 28  ? 0.659573 0.621747 0.374939  0.153781    0.137601    -0.184216   40  VAL   B HB   
2316 H HG11 . VAL   B 28  ? 0.611551 0.644052 0.390179  0.135188    0.149382    -0.130949   40  VAL   B HG11 
2317 H HG12 . VAL   B 28  ? 0.651169 0.656268 0.415917  0.154588    0.150856    -0.149186   40  VAL   B HG12 
2318 H HG13 . VAL   B 28  ? 0.654405 0.669355 0.407392  0.148614    0.152142    -0.152029   40  VAL   B HG13 
2319 H HG21 . VAL   B 28  ? 0.663921 0.681318 0.347601  0.14553     0.149132    -0.171736   40  VAL   B HG21 
2320 H HG22 . VAL   B 28  ? 0.654944 0.645027 0.343864  0.131241    0.134007    -0.171054   40  VAL   B HG22 
2321 H HG23 . VAL   B 28  ? 0.618463 0.659001 0.329869  0.12966     0.147174    -0.149867   40  VAL   B HG23 
2322 N N    . GLY   B 29  ? 0.572231 0.591458 0.410928  0.125869    0.115224    -0.14395    41  GLY   B N    
2323 C CA   . GLY   B 29  ? 0.599474 0.640952 0.417569  0.184913    0.134494    -0.146322   41  GLY   B CA   
2324 C C    . GLY   B 29  ? 0.674853 0.796969 0.462481  0.181394    0.147592    -0.141051   41  GLY   B C    
2325 O O    . GLY   B 29  ? 0.759803 0.685868 0.437519  0.19155     0.145707    -0.149754   41  GLY   B O    
2326 H H    . GLY   B 29  ? 0.555231 0.591557 0.386832  0.128956    0.120619    -0.136342   41  GLY   B H    
2327 H HA2  . GLY   B 29  ? 0.625735 0.640455 0.440382  0.176278    0.124971    -0.148912   41  GLY   B HA2  
2328 H HA3  . GLY   B 29  ? 0.580095 0.640093 0.418156  0.163296    0.127402    -0.134795   41  GLY   B HA3  
2329 N N    . ASN   B 30  ? 0.716633 0.909641 0.621261  0.227329    0.152904    -0.125812   42  ASN   B N    
2330 C CA   . ASN   B 30  ? 0.731582 1.00794  0.730419  0.226821    0.173632    -0.144625   42  ASN   B CA   
2331 C C    . ASN   B 30  ? 0.694546 1.13008  0.750421  0.207181    0.204178    -0.111792   42  ASN   B C    
2332 O O    . ASN   B 30  ? 0.630913 1.03159  0.665664  0.233379    0.183999    -0.156316   42  ASN   B O    
2333 C CB   . ASN   B 30  ? 0.804408 1.03857  0.767614  0.29789     0.178931    -0.155237   42  ASN   B CB   
2334 C CG   . ASN   B 30  ? 0.887447 1.008    0.772913  0.26093     0.182906    -0.189854   42  ASN   B CG   
2335 O OD1  . ASN   B 30  ? 0.956487 0.932605 0.750705  0.303538    0.182793    -0.336566   42  ASN   B OD1  
2336 N ND2  . ASN   B 30  ? 0.927546 0.998373 0.821195  0.324865    0.245804    -0.178584   42  ASN   B ND2  
2337 H H    . ASN   B 30  ? 0.681594 0.872816 0.610126  0.208323    0.149206    -0.120345   42  ASN   B H    
2338 H HA   . ASN   B 30  ? 0.747603 1.02449  0.717338  0.235404    0.185755    -0.145556   42  ASN   B HA   
2339 H HB2  . ASN   B 30  ? 0.798057 1.03295  0.773751  0.285127    0.175426    -0.153628   42  ASN   B HB2  
2340 H HB3  . ASN   B 30  ? 0.824961 1.06396  0.779664  0.296752    0.191164    -0.167763   42  ASN   B HB3  
2341 H HD21 . ASN   B 30  ? 0.951169 0.992095 0.811752  0.30999     0.221534    -0.194011   42  ASN   B HD21 
2342 H HD22 . ASN   B 30  ? 0.932407 1.03521  0.810323  0.322041    0.240299    -0.191518   42  ASN   B HD22 
2343 N N    . GLY   B 31  ? 0.752154 1.18674  0.785379  0.231312    0.247355    -0.0629693  43  GLY   B N    
2344 C CA   . GLY   B 31  ? 0.728283 1.13517  0.854016  0.233412    0.281005    -0.0393936  43  GLY   B CA   
2345 C C    . GLY   B 31  ? 0.750265 1.10248  0.872114  0.189742    0.240719    -0.019906   43  GLY   B C    
2346 O O    . GLY   B 31  ? 0.730389 1.06231  0.894696  0.246973    0.255088    -0.162304   43  GLY   B O    
2347 H H    . GLY   B 31  ? 0.761535 1.17824  0.799893  0.240226    0.251668    -0.0803593  43  GLY   B H    
2348 H HA2  . GLY   B 31  ? 0.742466 1.18828  0.859967  0.241416    0.284842    -0.0451504  43  GLY   B HA2  
2349 H HA3  . GLY   B 31  ? 0.724877 1.15029  0.861693  0.230605    0.262113    -0.0385447  43  GLY   B HA3  
2350 N N    . GLU   B 32  ? 0.85896  1.06509  0.875985  0.143767    0.159736    -0.00218457 44  GLU   B N    
2351 C CA   . GLU   B 32  ? 0.948933 1.00497  0.762415  0.11552     0.154224    -0.0261053  44  GLU   B CA   
2352 C C    . GLU   B 32  ? 0.969804 0.940075 0.638546  0.138593    0.209216    0.0510097   44  GLU   B C    
2353 O O    . GLU   B 32  ? 1.03384  0.849508 0.542261  0.134081    0.22489     0.039784    44  GLU   B O    
2354 C CB   . GLU   B 32  ? 0.990385 0.976387 0.777017  0.132921    0.215247    -0.00888878 44  GLU   B CB   
2355 H H    . GLU   B 32  ? 0.860853 1.10044  0.873319  0.163195    0.18801     -0.0133537  44  GLU   B H    
2356 H HA   . GLU   B 32  ? 0.942    0.955385 0.735115  0.11744     0.168371    -0.00681701 44  GLU   B HA   
2357 H HB2  . GLU   B 32  ? 0.253303 0.253303 0.253303  0           0           0           44  GLU   B HB2  
2358 H HB3  . GLU   B 32  ? 0.253303 0.253303 0.253303  0           0           0           44  GLU   B HB3  
2359 N N    . GLU   B 33  ? 0.761274 0.95683  0.572945  0.136946    0.191292    -0.00173895 45  GLU   B N    
2360 C CA   . GLU   B 33  ? 0.566034 0.845658 0.501939  0.121966    0.2134      0.00035023  45  GLU   B CA   
2361 C C    . GLU   B 33  ? 0.468558 0.752611 0.472165  0.067776    0.159792    -0.0283324  45  GLU   B C    
2362 O O    . GLU   B 33  ? 0.438071 0.749793 0.417711  0.0527657   0.149241    -0.103726   45  GLU   B O    
2363 C CB   . GLU   B 33  ? 0.446366 0.889104 0.609445  0.0811047   0.229452    -0.029723   45  GLU   B CB   
2364 H H    . GLU   B 33  ? 0.749818 0.941659 0.572756  0.154779    0.198018    -0.00134197 45  GLU   B H    
2365 H HA   . GLU   B 33  ? 0.533853 0.854138 0.52548   0.0835355   0.208832    -0.00466759 45  GLU   B HA   
2366 H HB2  . GLU   B 33  ? 0.253303 0.253303 0.253303  0           0           0           45  GLU   B HB2  
2367 H HB3  . GLU   B 33  ? 0.253303 0.253303 0.253303  0           0           0           45  GLU   B HB3  
2368 N N    . THR   B 34  ? 0.440786 0.72532  0.45244   0.0124095   0.0976729   -0.0313166  46  THR   B N    
2369 C CA   . THR   B 34  ? 0.358019 0.659064 0.417252  -0.00290391 0.0664129   -0.0632913  46  THR   B CA   
2370 C C    . THR   B 34  ? 0.363055 0.722224 0.430022  -0.029999   0.0542017   -0.0113238  46  THR   B C    
2371 O O    . THR   B 34  ? 0.356365 0.802227 0.523258  -0.0449406  0.0562946   -0.00974017 46  THR   B O    
2372 C CB   . THR   B 34  ? 0.359469 0.600553 0.396556  -0.00150452 0.063902    -0.0416656  46  THR   B CB   
2373 O OG1  . THR   B 34  ? 0.367842 0.580345 0.478466  0.0206171   0.0353886   -0.08665    46  THR   B OG1  
2374 C CG2  . THR   B 34  ? 0.34623  0.598393 0.424018  0.0237249   0.0571409   -0.0246009  46  THR   B CG2  
2375 H H    . THR   B 34  ? 0.420243 0.732172 0.451889  0.00841535  0.115244    -0.0332739  46  THR   B H    
2376 H HA   . THR   B 34  ? 0.380576 0.641932 0.410821  0.00494122  0.0655836   -0.0503593  46  THR   B HA   
2377 H HB   . THR   B 34  ? 0.346046 0.571175 0.39782   0.00148507  0.050976    -0.0496404  46  THR   B HB   
2378 H HG1  . THR   B 34  ? 0.253303 0.253303 0.253303  0           0           0           46  THR   B HG1  
2379 H HG21 . THR   B 34  ? 0.34907  0.578212 0.3984    0.00675031  0.0605183   -0.0257004  46  THR   B HG21 
2380 H HG22 . THR   B 34  ? 0.364703 0.624818 0.426663  0.0206969   0.0707367   -0.0308776  46  THR   B HG22 
2381 H HG23 . THR   B 34  ? 0.362343 0.584347 0.405563  0.027931    0.0580106   -0.0355374  46  THR   B HG23 
2382 N N    . PRO   B 35  ? 0.457588 0.677267 0.36295   -0.0700701  0.0143748   -0.0332552  47  PRO   B N    
2383 C CA   . PRO   B 35  ? 0.48729  0.691463 0.402857  -0.0878629  -0.00167036 -0.0285203  47  PRO   B CA   
2384 C C    . PRO   B 35  ? 0.543214 0.686819 0.451232  -0.0915071  -0.0285794  -0.0105974  47  PRO   B C    
2385 O O    . PRO   B 35  ? 0.613208 0.739557 0.38473   -0.108563   -0.0929132  0.0541955   47  PRO   B O    
2386 C CB   . PRO   B 35  ? 0.484529 0.678997 0.31171   -0.0634248  -0.00769818 -0.0668344  47  PRO   B CB   
2387 C CG   . PRO   B 35  ? 0.457726 0.57558  0.341426  -0.0712396  -0.00836239 -0.0901643  47  PRO   B CG   
2388 C CD   . PRO   B 35  ? 0.437209 0.65673  0.354609  -0.0592741  0.0209798   -0.0693896  47  PRO   B CD   
2389 H HA   . PRO   B 35  ? 0.495169 0.725578 0.412533  -0.065181   -0.00304284 -0.0359351  47  PRO   B HA   
2390 H HB2  . PRO   B 35  ? 0.471294 0.650335 0.332757  -0.0768447  -0.0176992  -0.0659063  47  PRO   B HB2  
2391 H HB3  . PRO   B 35  ? 0.488035 0.670115 0.351345  -0.0530176  -0.0130309  -0.0677569  47  PRO   B HB3  
2392 H HG2  . PRO   B 35  ? 0.446964 0.581781 0.317633  -0.0807473  -0.00413367 -0.0770728  47  PRO   B HG2  
2393 H HG3  . PRO   B 35  ? 0.464132 0.582254 0.325972  -0.0626539  -0.00694005 -0.0785844  47  PRO   B HG3  
2394 H HD2  . PRO   B 35  ? 0.446058 0.62048  0.33651   -0.0717822  0.0203342   -0.0667315  47  PRO   B HD2  
2395 H HD3  . PRO   B 35  ? 0.462067 0.644597 0.356109  -0.0483919  0.0160541   -0.0691222  47  PRO   B HD3  
2396 N N    . MET   B 36  ? 0.573331 0.780805 0.444535  -0.10879    -0.0234912  0.0233509   48  MET   B N    
2397 C CA   . MET   B 36  ? 0.556582 0.780783 0.434166  -0.125867   0.00813632  0.0199785   48  MET   B CA   
2398 C C    . MET   B 36  ? 0.487517 0.686473 0.465636  -0.118082   0.0614839   0.0892123   48  MET   B C    
2399 O O    . MET   B 36  ? 0.411744 0.699884 0.408631  -0.0769469  0.0274555   0.0964738   48  MET   B O    
2400 C CB   . MET   B 36  ? 0.588079 0.884247 0.491418  -0.148445   0.0695451   0.00943836  48  MET   B CB   
2401 C CG   . MET   B 36  ? 0.597947 0.986684 0.540496  -0.128974   0.0873408   0.0140113   48  MET   B CG   
2402 S SD   . MET   B 36  ? 0.590278 1.05576  0.470122  -0.106143   0.147067    0.0975739   48  MET   B SD   
2403 C CE   . MET   B 36  ? 0.727244 1.16266  0.585836  -0.105495   0.16464     0.0421001   48  MET   B CE   
2404 H H    . MET   B 36  ? 0.564613 0.780717 0.461502  -0.0907984  -0.0211295  0.00904626  48  MET   B H    
2405 H HA   . MET   B 36  ? 0.549713 0.761139 0.438108  -0.139896   0.0326325   0.035972    48  MET   B HA   
2406 H HB2  . MET   B 36  ? 0.583247 0.902308 0.507005  -0.125663   0.047113    0.0065242   48  MET   B HB2  
2407 H HB3  . MET   B 36  ? 0.577745 0.8931   0.505613  -0.156454   0.0499052   0.0118824   48  MET   B HB3  
2408 H HG2  . MET   B 36  ? 0.597524 0.954166 0.5013    -0.112477   0.100458    0.0245101   48  MET   B HG2  
2409 H HG3  . MET   B 36  ? 0.598228 1.01443  0.545114  -0.113923   0.0964941   0.024689    48  MET   B HG3  
2410 H HE1  . MET   B 36  ? 0.695467 1.17272  0.575023  -0.117692   0.17535     0.0528817   48  MET   B HE1  
2411 H HE2  . MET   B 36  ? 0.697491 1.13099  0.54387   -0.0874368  0.174095    0.0556094   48  MET   B HE2  
2412 H HE3  . MET   B 36  ? 0.698757 1.1869   0.586745  -0.0970536  0.167991    0.0513059   48  MET   B HE3  
2413 N N    . ILE   B 37  ? 0.489674 0.644649 0.514728  -0.0894677  0.0319384   0.104807    49  ILE   B N    
2414 C CA   . ILE   B 37  ? 0.450877 0.647843 0.528037  -0.0879379  0.0125762   0.0985661   49  ILE   B CA   
2415 C C    . ILE   B 37  ? 0.41495  0.687687 0.527755  -0.0785471  0.0102028   0.0984998   49  ILE   B C    
2416 O O    . ILE   B 37  ? 0.437344 0.726981 0.547833  -0.0833135  -0.00184197 0.0883477   49  ILE   B O    
2417 C CB   . ILE   B 37  ? 0.515122 0.660759 0.60631   -0.131515   -0.0213043  0.0835849   49  ILE   B CB   
2418 C CG1  . ILE   B 37  ? 0.510449 0.594221 0.647283  -0.153384   -0.0563495  0.0909054   49  ILE   B CG1  
2419 C CG2  . ILE   B 37  ? 0.550944 0.712285 0.584085  -0.124065   -0.00675838 0.0958934   49  ILE   B CG2  
2420 C CD1  . ILE   B 37  ? 0.495256 0.554545 0.734727  -0.21039    -0.0572242  0.0895688   49  ILE   B CD1  
2421 H H    . ILE   B 37  ? 0.480368 0.658198 0.508664  -0.113369   0.045062    0.102685    49  ILE   B H    
2422 H HA   . ILE   B 37  ? 0.457123 0.616794 0.506875  -0.0854161  0.00926095  0.0982673   49  ILE   B HA   
2423 H HB   . ILE   B 37  ? 0.510257 0.691278 0.624883  -0.135594   -0.0149824  0.0882762   49  ILE   B HB   
2424 H HG12 . ILE   B 37  ? 0.508387 0.567555 0.630921  -0.144599   -0.05058    0.0884661   49  ILE   B HG12 
2425 H HG13 . ILE   B 37  ? 0.50288  0.60018  0.652957  -0.15297    -0.0336671  0.0910332   49  ILE   B HG13 
2426 H HG21 . ILE   B 37  ? 0.548103 0.699349 0.596288  -0.146588   -0.0167749  0.0899118   49  ILE   B HG21 
2427 H HG22 . ILE   B 37  ? 0.542845 0.670628 0.570266  -0.118245   -0.0196785  0.0913276   49  ILE   B HG22 
2428 H HG23 . ILE   B 37  ? 0.5462   0.726402 0.613216  -0.126016   -0.0228647  0.0869007   49  ILE   B HG23 
2429 H HD11 . ILE   B 37  ? 0.500743 0.590072 0.734537  -0.214863   -0.0508444  0.0917267   49  ILE   B HD11 
2430 H HD12 . ILE   B 37  ? 0.504029 0.542301 0.695825  -0.202231   -0.0453372  0.093775    49  ILE   B HD12 
2431 H HD13 . ILE   B 37  ? 0.507003 0.555856 0.710966  -0.203728   -0.0670673  0.0909344   49  ILE   B HD13 
2432 N N    . GLY   B 38  ? 0.399363 0.686395 0.44467   -0.0186281  0.00898216  0.0384932   50  GLY   B N    
2433 C CA   . GLY   B 38  ? 0.390564 0.719671 0.454483  -0.0313155  -0.0260259  0.0205776   50  GLY   B CA   
2434 C C    . GLY   B 38  ? 0.425397 0.741408 0.44295   0.0179288   -0.043407   -0.0156424  50  GLY   B C    
2435 O O    . GLY   B 38  ? 0.472378 0.72547  0.481271  0.0362213   -0.0652472  0.0006751   50  GLY   B O    
2436 H H    . GLY   B 38  ? 0.399882 0.649672 0.433448  -0.0347697  0.00227698  0.0504096   50  GLY   B H    
2437 H HA2  . GLY   B 38  ? 0.405964 0.716846 0.449499  -0.0232989  -0.0371514  0.0158176   50  GLY   B HA2  
2438 H HA3  . GLY   B 38  ? 0.390493 0.759005 0.482053  -0.0311484  -0.0261681  0.0142306   50  GLY   B HA3  
2439 N N    . ASP   B 39  ? 0.366867 0.731577 0.411053  0.00381224  -0.0180559  -0.0235021  51  ASP   B N    
2440 C CA   . ASP   B 39  ? 0.359503 0.712406 0.38418   0.00484045  -0.0184352  -0.0367348  51  ASP   B CA   
2441 C C    . ASP   B 39  ? 0.37298  0.667241 0.402542  0.0422363   -0.00745665 -0.0393229  51  ASP   B C    
2442 O O    . ASP   B 39  ? 0.421179 0.633526 0.408935  0.0476775   0.0385479   -0.0116165  51  ASP   B O    
2443 C CB   . ASP   B 39  ? 0.361271 0.72666  0.392207  -0.0326895  -0.0295291  -0.0422071  51  ASP   B CB   
2444 C CG   . ASP   B 39  ? 0.371207 0.829046 0.372761  -0.0586993  -0.0302175  -0.048501   51  ASP   B CG   
2445 O OD1  . ASP   B 39  ? 0.431817 0.868547 0.420446  -0.124191   -0.00420866 -0.0697894  51  ASP   B OD1  
2446 O OD2  . ASP   B 39  ? 0.473801 0.799742 0.392239  -0.0562516  -0.0336908  -0.0974504  51  ASP   B OD2  
2447 H H    . ASP   B 39  ? 0.365435 0.711952 0.401156  -0.0120624  -0.0104917  -0.024811   51  ASP   B H    
2448 H HA   . ASP   B 39  ? 0.366419 0.756494 0.425904  0.0184445   -0.0250446  -0.0377792  51  ASP   B HA   
2449 H HB2  . ASP   B 39  ? 0.358523 0.701837 0.357367  -0.0402663  -0.0202183  -0.0396845  51  ASP   B HB2  
2450 H HB3  . ASP   B 39  ? 0.375008 0.724195 0.379453  -0.010593   -0.0241197  -0.0415548  51  ASP   B HB3  
2451 N N    . LYS   B 40  ? 0.378177 0.667433 0.428758  0.0541224   -0.0210122  -0.0188845  52  LYS   B N    
2452 C CA   . LYS   B 40  ? 0.431886 0.645877 0.455875  0.0615939   -0.028917   -0.0114741  52  LYS   B CA   
2453 C C    . LYS   B 40  ? 0.421357 0.623583 0.42883   0.0704012   -0.0292212  -0.0135769  52  LYS   B C    
2454 O O    . LYS   B 40  ? 0.439696 0.675333 0.476632  0.0737015   -0.0325966  -0.0555832  52  LYS   B O    
2455 C CB   . LYS   B 40  ? 0.480557 0.687054 0.515886  0.100227    -0.0385446  0.0167372   52  LYS   B CB   
2456 C CG   . LYS   B 40  ? 0.558373 0.68503  0.57374   0.114571    -0.04398    0.0592634   52  LYS   B CG   
2457 C CD   . LYS   B 40  ? 0.56047  0.76893  0.643883  0.150375    -0.0984594  0.0925926   52  LYS   B CD   
2458 C CE   . LYS   B 40  ? 0.601967 0.759249 0.692639  0.143943    -0.101865   0.126876    52  LYS   B CE   
2459 N NZ   . LYS   B 40  ? 0.724679 0.782235 0.78983   0.162886    -0.100688   0.161546    52  LYS   B NZ   
2460 H H    . LYS   B 40  ? 0.386553 0.70695  0.457864  0.0676647   -0.0218576  -0.0251826  52  LYS   B H    
2461 H HA   . LYS   B 40  ? 0.423699 0.627269 0.432246  0.0539657   -0.0349049  -0.00458627 52  LYS   B HA   
2462 H HB2  . LYS   B 40  ? 0.47885  0.710546 0.525367  0.0932954   -0.0505913  0.0165798   52  LYS   B HB2  
2463 H HB3  . LYS   B 40  ? 0.482496 0.712235 0.536416  0.110048    -0.0351701  0.0133599   52  LYS   B HB3  
2464 H HG2  . LYS   B 40  ? 0.545161 0.667237 0.560815  0.119467    -0.0389682  0.0595156   52  LYS   B HG2  
2465 H HG3  . LYS   B 40  ? 0.539877 0.671232 0.549541  0.105172    -0.0568952  0.0618428   52  LYS   B HG3  
2466 H HD2  . LYS   B 40  ? 0.562231 0.789721 0.656277  0.143778    -0.10015    0.088242    52  LYS   B HD2  
2467 H HD3  . LYS   B 40  ? 0.574143 0.775131 0.66376   0.157902    -0.0842125  0.0880383   52  LYS   B HD3  
2468 H HE2  . LYS   B 40  ? 0.610278 0.71967  0.674059  0.136889    -0.0921203  0.125028    52  LYS   B HE2  
2469 H HE3  . LYS   B 40  ? 0.614261 0.754653 0.681871  0.137843    -0.108923   0.130077    52  LYS   B HE3  
2470 H HZ1  . LYS   B 40  ? 0.700245 0.787322 0.783006  0.176163    -0.0956102  0.152706    52  LYS   B HZ1  
2471 H HZ2  . LYS   B 40  ? 0.706872 0.820844 0.785818  0.180141    -0.108155   0.151957    52  LYS   B HZ2  
2472 H HZ3  . LYS   B 40  ? 0.719924 0.77361  0.766236  0.175585    -0.105477   0.158752    52  LYS   B HZ3  
2473 N N    . VAL   B 41  ? 0.434653 0.548108 0.373534  0.0855475   -0.0281418  -0.0153682  53  VAL   B N    
2474 C CA   . VAL   B 41  ? 0.386079 0.519046 0.402766  0.0777922   -0.0130999  0.00358319  53  VAL   B CA   
2475 C C    . VAL   B 41  ? 0.446364 0.487659 0.409184  0.0739022   -0.0225753  -0.0301276  53  VAL   B C    
2476 O O    . VAL   B 41  ? 0.449836 0.459134 0.415287  0.0489547   0.0434561   -0.0301186  53  VAL   B O    
2477 C CB   . VAL   B 41  ? 0.406634 0.501171 0.460768  0.0689946   -0.0294593  -0.00638839 53  VAL   B CB   
2478 C CG1  . VAL   B 41  ? 0.483768 0.537661 0.486291  0.0650259   -0.0501749  -0.00977362 53  VAL   B CG1  
2479 C CG2  . VAL   B 41  ? 0.433896 0.505846 0.48185   0.0844246   0.00387484  0.0139019   53  VAL   B CG2  
2480 H H    . VAL   B 41  ? 0.416357 0.544231 0.37323   0.0722047   -0.0289812  -0.0100453  53  VAL   B H    
2481 H HA   . VAL   B 41  ? 0.411099 0.533082 0.419201  0.088194    -0.0118894  -0.0156216  53  VAL   B HA   
2482 H HB   . VAL   B 41  ? 0.412421 0.496219 0.440485  0.0626239   -0.0303437  0.00459675  53  VAL   B HB   
2483 H HG11 . VAL   B 41  ? 0.469066 0.529359 0.491405  0.0720022   -0.0390905  -0.0108694  53  VAL   B HG11 
2484 H HG12 . VAL   B 41  ? 0.476211 0.504448 0.474638  0.0709772   -0.0472582  -0.0106034  53  VAL   B HG12 
2485 H HG13 . VAL   B 41  ? 0.447824 0.510461 0.46253   0.0482567   -0.0357867  -0.0138646  53  VAL   B HG13 
2486 H HG21 . VAL   B 41  ? 0.408004 0.494818 0.463268  0.0640791   -0.00036256 0.00758008  53  VAL   B HG21 
2487 H HG22 . VAL   B 41  ? 0.420489 0.532492 0.490644  0.0797567   -0.00752941 0.0106367   53  VAL   B HG22 
2488 H HG23 . VAL   B 41  ? 0.422208 0.527228 0.490741  0.086176    0.00181889  0.00375556  53  VAL   B HG23 
2489 N N    . TYR   B 42  ? 0.448643 0.476618 0.375301  0.115136    0.0123939   -0.0499655  54  TYR   B N    
2490 C CA   . TYR   B 42  ? 0.483141 0.482828 0.385243  0.110754    -0.00735871 -0.0480132  54  TYR   B CA   
2491 C C    . TYR   B 42  ? 0.470469 0.4107   0.407112  0.107651    -0.0202527  -0.0412508  54  TYR   B C    
2492 O O    . TYR   B 42  ? 0.523239 0.420339 0.410739  0.115248    -0.0420465  -0.0582246  54  TYR   B O    
2493 C CB   . TYR   B 42  ? 0.494051 0.51083  0.455659  0.126967    -0.0255987  -0.0230097  54  TYR   B CB   
2494 C CG   . TYR   B 42  ? 0.48657  0.55968  0.481646  0.155689    -0.0380559  -0.0454797  54  TYR   B CG   
2495 C CD1  . TYR   B 42  ? 0.426619 0.613755 0.484956  0.162364    -0.032252   -0.0523559  54  TYR   B CD1  
2496 C CD2  . TYR   B 42  ? 0.503198 0.576633 0.491676  0.180638    -0.0532085  -0.0341532  54  TYR   B CD2  
2497 C CE1  . TYR   B 42  ? 0.442297 0.683701 0.483196  0.182847    -0.0546574  -0.0400235  54  TYR   B CE1  
2498 C CE2  . TYR   B 42  ? 0.527912 0.653523 0.538925  0.192692    -0.0955485  -0.0133015  54  TYR   B CE2  
2499 C CZ   . TYR   B 42  ? 0.501417 0.703701 0.556174  0.194062    -0.078002   -0.0235422  54  TYR   B CZ   
2500 O OH   . TYR   B 42  ? 0.556176 0.798518 0.645617  0.202209    -0.139911   -0.00163867 54  TYR   B OH   
2501 H H    . TYR   B 42  ? 0.445208 0.493367 0.380958  0.107611    0.0121223   -0.0519051  54  TYR   B H    
2502 H HA   . TYR   B 42  ? 0.480099 0.462998 0.38445   0.111179    -0.0115437  -0.0340061  54  TYR   B HA   
2503 H HB2  . TYR   B 42  ? 0.494211 0.517165 0.461149  0.134386    -0.0181024  -0.0421528  54  TYR   B HB2  
2504 H HB3  . TYR   B 42  ? 0.518318 0.49418  0.455379  0.132556    -0.0208987  -0.0303691  54  TYR   B HB3  
2505 H HD1  . TYR   B 42  ? 0.417632 0.613708 0.474527  0.149969    -0.0304238  -0.056076   54  TYR   B HD1  
2506 H HD2  . TYR   B 42  ? 0.527935 0.560372 0.497495  0.173357    -0.054759   -0.0248656  54  TYR   B HD2  
2507 H HE1  . TYR   B 42  ? 0.42987  0.704237 0.510149  0.180191    -0.0565353  -0.0446487  54  TYR   B HE1  
2508 H HE2  . TYR   B 42  ? 0.549896 0.651893 0.544212  0.208344    -0.0884408  -0.0107372  54  TYR   B HE2  
2509 H HH   . TYR   B 42  ? 0.253303 0.253303 0.253303  0           0           0           54  TYR   B HH   
2510 N N    . VAL   B 43  ? 0.480333 0.377709 0.351451  0.122727    -0.00623239 -0.0528986  55  VAL   B N    
2511 C CA   . VAL   B 43  ? 0.47664  0.398427 0.41689   0.0984034   0.0127194   -0.0167968  55  VAL   B CA   
2512 C C    . VAL   B 43  ? 0.554266 0.337196 0.422642  0.0853571   -0.00156492 -0.0119296  55  VAL   B C    
2513 O O    . VAL   B 43  ? 0.570857 0.360882 0.430954  0.0919578   0.0213261   0.0388969   55  VAL   B O    
2514 C CB   . VAL   B 43  ? 0.463278 0.357668 0.346877  0.0746326   0.0123634   -0.0454923  55  VAL   B CB   
2515 C CG1  . VAL   B 43  ? 0.460888 0.401701 0.389592  0.079403    0.00871556  -0.0437142  55  VAL   B CG1  
2516 C CG2  . VAL   B 43  ? 0.451059 0.337722 0.346672  0.0480206   0.0406603   -0.00817746 55  VAL   B CG2  
2517 H H    . VAL   B 43  ? 0.484177 0.386765 0.35571   0.114977    -0.00881046 -0.0332723  55  VAL   B H    
2518 H HA   . VAL   B 43  ? 0.493598 0.380551 0.411757  0.100121    0.0052042   -0.035439   55  VAL   B HA   
2519 H HB   . VAL   B 43  ? 0.457062 0.353668 0.358573  0.0627931   0.017641    -0.0390611  55  VAL   B HB   
2520 H HG11 . VAL   B 43  ? 0.455742 0.405906 0.382098  0.084858    0.00725782  -0.0411994  55  VAL   B HG11 
2521 H HG12 . VAL   B 43  ? 0.45731  0.400843 0.38883   0.0813467   0.0102317   -0.0497278  55  VAL   B HG12 
2522 H HG13 . VAL   B 43  ? 0.43776  0.385123 0.359661  0.0631295   0.0109623   -0.0449089  55  VAL   B HG13 
2523 H HG21 . VAL   B 43  ? 0.433987 0.334593 0.329652  0.0423897   0.0329637   -0.0167325  55  VAL   B HG21 
2524 H HG22 . VAL   B 43  ? 0.466831 0.32766  0.350668  0.0472023   0.035434    -0.0108487  55  VAL   B HG22 
2525 H HG23 . VAL   B 43  ? 0.459969 0.352068 0.350947  0.0624047   0.0290978   -0.0117051  55  VAL   B HG23 
2526 N N    . HIS   B 44  ? 0.557124 0.367251 0.401119  0.0503169   0.0180691   -0.0285633  56  HIS   B N    
2527 C CA   . HIS   B 44  ? 0.582259 0.368309 0.415512  0.0380222   0.0342041   -0.0380395  56  HIS   B CA   
2528 C C    . HIS   B 44  ? 0.523976 0.346688 0.392962  0.0199066   0.0337029   -0.0152005  56  HIS   B C    
2529 O O    . HIS   B 44  ? 0.505132 0.404605 0.340872  0.00236941  0.0014607   -0.0246986  56  HIS   B O    
2530 C CB   . HIS   B 44  ? 0.630849 0.334852 0.468284  0.0355888   0.0869109   -0.0194685  56  HIS   B CB   
2531 C CG   . HIS   B 44  ? 0.682354 0.421029 0.439003  0.0596847   0.0764075   -0.00929183 56  HIS   B CG   
2532 N ND1  . HIS   B 44  ? 0.73179  0.458367 0.438198  0.0539194   0.0748289   -0.0200627  56  HIS   B ND1  
2533 C CD2  . HIS   B 44  ? 0.723655 0.43116  0.477289  0.0693884   0.0754432   -0.0403001  56  HIS   B CD2  
2534 C CE1  . HIS   B 44  ? 0.76413  0.486951 0.430489  0.0599205   0.0764378   -0.00439431 56  HIS   B CE1  
2535 N NE2  . HIS   B 44  ? 0.760183 0.429743 0.544041  0.098634    0.0517959   -0.0311054  56  HIS   B NE2  
2536 H H    . HIS   B 44  ? 0.556581 0.363568 0.40509   0.0585285   0.0202484   -0.0386484  56  HIS   B H    
2537 H HA   . HIS   B 44  ? 0.583524 0.35927  0.41721   0.040921    0.03844     -0.015157   56  HIS   B HA   
2538 H HB2  . HIS   B 44  ? 0.632331 0.364832 0.45755   0.0444815   0.0719503   -0.0349968  56  HIS   B HB2  
2539 H HB3  . HIS   B 44  ? 0.635566 0.350012 0.454676  0.0224985   0.0750579   -0.0246999  56  HIS   B HB3  
2540 H HD1  . HIS   B 44  ? 0.253303 0.253303 0.253303  0           0           0           56  HIS   B HD1  
2541 H HD2  . HIS   B 44  ? 0.723369 0.436237 0.485321  0.0864203   0.0730166   -0.0464569  56  HIS   B HD2  
2542 H HE1  . HIS   B 44  ? 0.77982  0.465236 0.445699  0.0686298   0.072929    0.0108863   56  HIS   B HE1  
2543 H HE2  . HIS   B 44  ? 0.253303 0.253303 0.253303  0           0           0           56  HIS   B HE2  
2544 N N    . TYR   B 45  ? 0.567692 0.359138 0.392054  0.0246637   0.0111751   -0.0556792  57  TYR   B N    
2545 C CA   . TYR   B 45  ? 0.528281 0.30545  0.319261  0.00881694  0.0275689   -0.0130361  57  TYR   B CA   
2546 C C    . TYR   B 45  ? 0.557706 0.291928 0.363502  -0.0348878  0.0173839   0.00741409  57  TYR   B C    
2547 O O    . TYR   B 45  ? 0.648029 0.342156 0.296806  -0.0188846  0.0877909   0.0110196   57  TYR   B O    
2548 C CB   . TYR   B 45  ? 0.490342 0.316481 0.264832  -0.0177018  0.0267672   -0.01808    57  TYR   B CB   
2549 C CG   . TYR   B 45  ? 0.508695 0.331052 0.276479  0.0175173   0.0106573   0.00395909  57  TYR   B CG   
2550 C CD1  . TYR   B 45  ? 0.500441 0.342537 0.26574   -0.015304   0.0316432   0.0457911   57  TYR   B CD1  
2551 C CD2  . TYR   B 45  ? 0.534035 0.351101 0.242107  0.00363495  -0.00018876 -0.0202336  57  TYR   B CD2  
2552 C CE1  . TYR   B 45  ? 0.5425   0.402598 0.290503  -0.00441357 0.0229418   0.0359485   57  TYR   B CE1  
2553 C CE2  . TYR   B 45  ? 0.579555 0.38067  0.23597   0.0329053   -0.0111696  0.00204816  57  TYR   B CE2  
2554 C CZ   . TYR   B 45  ? 0.546224 0.345739 0.218207  -0.00179677 0.0104196   0.0521681   57  TYR   B CZ   
2555 O OH   . TYR   B 45  ? 0.617768 0.392417 0.23867   0.00284164  0.0365627   0.0392305   57  TYR   B OH   
2556 H H    . TYR   B 45  ? 0.574171 0.349637 0.405234  0.0235798   0.0204099   -0.0348498  57  TYR   B H    
2557 H HA   . TYR   B 45  ? 0.524299 0.314595 0.320923  -0.00463908 0.0211377   -0.0287759  57  TYR   B HA   
2558 H HB2  . TYR   B 45  ? 0.477251 0.316651 0.264718  -0.0152299  0.0254262   -0.0196028  57  TYR   B HB2  
2559 H HB3  . TYR   B 45  ? 0.482923 0.322943 0.271226  0.00440677  0.0211732   -0.0173025  57  TYR   B HB3  
2560 H HD1  . TYR   B 45  ? 0.49809  0.346654 0.270593  -0.0183558  0.0262664   0.0274115   57  TYR   B HD1  
2561 H HD2  . TYR   B 45  ? 0.540317 0.359348 0.255311  0.0268238   -0.00407036 -0.0138091  57  TYR   B HD2  
2562 H HE1  . TYR   B 45  ? 0.535386 0.371323 0.263666  -0.0192249  0.0274126   0.0474273   57  TYR   B HE1  
2563 H HE2  . TYR   B 45  ? 0.575505 0.375068 0.240239  0.0325161   -0.00740062 0.0155878   57  TYR   B HE2  
2564 H HH   . TYR   B 45  ? 0.253303 0.253303 0.253303  0           0           0           57  TYR   B HH   
2565 N N    . LYS   B 46  ? 0.499412 0.339478 0.381674  -0.0371927  0.0438326   0.0156291   58  LYS   B N    
2566 C CA   . LYS   B 46  ? 0.508631 0.357968 0.459674  -0.0690906  0.0294334   0.0233445   58  LYS   B CA   
2567 C C    . LYS   B 46  ? 0.491635 0.380052 0.411229  -0.0575448  0.0502476   0.0211928   58  LYS   B C    
2568 O O    . LYS   B 46  ? 0.490173 0.408719 0.398573  -0.0641811  0.0485982   0.0721173   58  LYS   B O    
2569 C CB   . LYS   B 46  ? 0.509456 0.286371 0.55345   -0.0504142  0.0279304   -0.0259757  58  LYS   B CB   
2570 H H    . LYS   B 46  ? 0.498363 0.327947 0.37551   -0.0433722  0.0316551   0.0057747   58  LYS   B H    
2571 H HA   . LYS   B 46  ? 0.52314  0.34482  0.459747  -0.0544528  0.0412456   0.0254281   58  LYS   B HA   
2572 H HB2  . LYS   B 46  ? 0.253303 0.253303 0.253303  0           0           0           58  LYS   B HB2  
2573 H HB3  . LYS   B 46  ? 0.253303 0.253303 0.253303  0           0           0           58  LYS   B HB3  
2574 N N    . GLY   B 47  ? 0.539927 0.404439 0.323988  -0.0600107  0.0588399   0.0626112   59  GLY   B N    
2575 C CA   . GLY   B 47  ? 0.52272  0.432854 0.269272  -0.0516185  0.0378291   0.0573079   59  GLY   B CA   
2576 C C    . GLY   B 47  ? 0.503453 0.378887 0.346445  -0.0644626  0.0493181   0.0485884   59  GLY   B C    
2577 O O    . GLY   B 47  ? 0.569743 0.469992 0.460131  -0.0554234  0.0918356   0.123326    59  GLY   B O    
2578 H H    . GLY   B 47  ? 0.546727 0.400391 0.341875  -0.0602058  0.058003    0.0685091   59  GLY   B H    
2579 H HA2  . GLY   B 47  ? 0.499424 0.40531  0.274216  -0.0546896  0.0396329   0.0522865   59  GLY   B HA2  
2580 H HA3  . GLY   B 47  ? 0.508073 0.407677 0.276763  -0.0448166  0.0430292   0.0599339   59  GLY   B HA3  
2581 N N    . LYS   B 48  ? 0.461898 0.349784 0.320006  -0.0856293  0.0271305   0.0216166   60  LYS   B N    
2582 C CA   . LYS   B 48  ? 0.490451 0.383344 0.331623  -0.0910402  0.0543355   0.0253754   60  LYS   B CA   
2583 C C    . LYS   B 48  ? 0.4674   0.393386 0.402112  -0.0938182  0.0735794   -0.006967   60  LYS   B C    
2584 O O    . LYS   B 48  ? 0.463944 0.412043 0.288086  -0.0898255  0.0661131   -0.0242077  60  LYS   B O    
2585 C CB   . LYS   B 48  ? 0.428585 0.353809 0.559911  -0.134319   0.0517883   -0.0569254  60  LYS   B CB   
2586 H H    . LYS   B 48  ? 0.457228 0.355589 0.308171  -0.0754999  0.0322206   0.0214562   60  LYS   B H    
2587 H HA   . LYS   B 48  ? 0.486108 0.37204  0.359257  -0.101228   0.0642486   0.0310895   60  LYS   B HA   
2588 H HB2  . LYS   B 48  ? 0.253303 0.253303 0.253303  0           0           0           60  LYS   B HB2  
2589 H HB3  . LYS   B 48  ? 0.253303 0.253303 0.253303  0           0           0           60  LYS   B HB3  
2590 N N    . LEU   B 49  ? 0.458479 0.403253 0.31594   -0.0598925  0.0931747   0.00529762  61  LEU   B N    
2591 C CA   . LEU   B 49  ? 0.449843 0.40552  0.327013  -0.0606455  0.0788944   0.00454852  61  LEU   B CA   
2592 C C    . LEU   B 49  ? 0.437363 0.426769 0.350629  -0.0882713  0.0619192   -0.0103947  61  LEU   B C    
2593 O O    . LEU   B 49  ? 0.479983 0.480535 0.432673  -0.10412    0.0979627   -0.036138   61  LEU   B O    
2594 C CB   . LEU   B 49  ? 0.424514 0.453968 0.393169  -0.0360718  0.100382    0.0470936   61  LEU   B CB   
2595 C CG   . LEU   B 49  ? 0.471686 0.427434 0.411188  -0.0262183  0.0953873   0.0335095   61  LEU   B CG   
2596 C CD1  . LEU   B 49  ? 0.463521 0.459201 0.448866  -0.0297587  0.121473    0.0546448   61  LEU   B CD1  
2597 C CD2  . LEU   B 49  ? 0.427644 0.433168 0.334155  0.00527779  0.097085    0.00680794  61  LEU   B CD2  
2598 H H    . LEU   B 49  ? 0.475808 0.405881 0.350825  -0.0752626  0.0961173   0.0173524   61  LEU   B H    
2599 H HA   . LEU   B 49  ? 0.433303 0.400722 0.313967  -0.0490098  0.0774175   0.00669356  61  LEU   B HA   
2600 H HB2  . LEU   B 49  ? 0.448047 0.459087 0.408774  -0.0519392  0.0995803   0.0359713   61  LEU   B HB2  
2601 H HB3  . LEU   B 49  ? 0.430486 0.452401 0.379101  -0.0336976  0.0946717   0.0318787   61  LEU   B HB3  
2602 H HG   . LEU   B 49  ? 0.467542 0.428491 0.410379  -0.030271   0.102692    0.0394196   61  LEU   B HG   
2603 H HD11 . LEU   B 49  ? 0.47407  0.47331  0.465769  -0.0410832  0.123965    0.0539579   61  LEU   B HD11 
2604 H HD12 . LEU   B 49  ? 0.482651 0.457127 0.4398    -0.0229705  0.124266    0.0572968   61  LEU   B HD12 
2605 H HD13 . LEU   B 49  ? 0.458554 0.465638 0.434405  -0.0207772  0.117619    0.0473668   61  LEU   B HD13 
2606 H HD21 . LEU   B 49  ? 0.42657  0.409142 0.336009  0.00113861  0.0911285   0.00750814  61  LEU   B HD21 
2607 H HD22 . LEU   B 49  ? 0.426675 0.432092 0.336561  0.00620283  0.0936566   0.0090437   61  LEU   B HD22 
2608 H HD23 . LEU   B 49  ? 0.44864  0.427854 0.337884  0.0055555   0.0976761   0.0202168   61  LEU   B HD23 
2609 N N    . SER   B 50  ? 0.45091  0.437317 0.336188  -0.0859102  0.0589849   -0.00117404 62  SER   B N    
2610 C CA   . SER   B 50  ? 0.448271 0.471527 0.403881  -0.0846375  0.00832511  -0.0260505  62  SER   B CA   
2611 C C    . SER   B 50  ? 0.495133 0.498136 0.511508  -0.0955673  0.032844    -0.0376965  62  SER   B C    
2612 O O    . SER   B 50  ? 0.526585 0.507345 0.493278  -0.0787365  -0.0186671  -0.00793758 62  SER   B O    
2613 C CB   . SER   B 50  ? 0.423412 0.512276 0.428608  -0.0387324  0.00835007  0.0156552   62  SER   B CB   
2614 O OG   . SER   B 50  ? 0.521087 0.535703 0.54362   0.0060209   -0.0222006  0.0635727   62  SER   B OG   
2615 H H    . SER   B 50  ? 0.438453 0.435769 0.333288  -0.0721353  0.0503532   -0.00554369 62  SER   B H    
2616 H HA   . SER   B 50  ? 0.457605 0.459358 0.41091   -0.084967   0.0175636   -0.0205527  62  SER   B HA   
2617 H HB2  . SER   B 50  ? 0.441545 0.508533 0.439974  -0.0427675  -0.00764358 0.00550827  62  SER   B HB2  
2618 H HB3  . SER   B 50  ? 0.433913 0.480693 0.416371  -0.0356329  -0.00131127 0.0124833   62  SER   B HB3  
2619 H HG   . SER   B 50  ? 0.253303 0.253303 0.253303  0           0           0           62  SER   B HG   
2620 N N    . ASN   B 51  ? 0.450259 0.538756 0.469245  -0.0909725  0.0376203   -0.0444299  63  ASN   B N    
2621 C CA   . ASN   B 51  ? 0.480478 0.638843 0.627467  -0.118169   -0.00339936 -0.0297027  63  ASN   B CA   
2622 C C    . ASN   B 51  ? 0.508679 0.663907 0.737012  -0.151658   -0.0207401  0.00240209  63  ASN   B C    
2623 O O    . ASN   B 51  ? 0.583579 0.742452 0.930627  -0.200724   -0.039653   -0.039417   63  ASN   B O    
2624 C CB   . ASN   B 51  ? 0.491486 0.756084 0.638803  -0.0799704  0.0268255   -0.0325564  63  ASN   B CB   
2625 C CG   . ASN   B 51  ? 0.521444 0.808932 0.599496  -0.0252127  0.0358789   -0.0134046  63  ASN   B CG   
2626 O OD1  . ASN   B 51  ? 0.617276 0.840979 0.586485  0.0064003   0.0463502   0.0570142   63  ASN   B OD1  
2627 N ND2  . ASN   B 51  ? 0.528779 0.804379 0.606077  0.0159063   0.0342726   -0.0136226  63  ASN   B ND2  
2628 H H    . ASN   B 51  ? 0.461926 0.532949 0.479504  -0.0888898  0.0305061   -0.0391005  63  ASN   B H    
2629 H HA   . ASN   B 51  ? 0.474943 0.649816 0.623369  -0.116395   -0.00144539 -0.0383599  63  ASN   B HA   
2630 H HB2  . ASN   B 51  ? 0.494611 0.774011 0.659607  -0.0871887  0.0252033   -0.027347   63  ASN   B HB2  
2631 H HB3  . ASN   B 51  ? 0.481906 0.752076 0.621518  -0.0655283  0.014837    -0.0362138  63  ASN   B HB3  
2632 H HD21 . ASN   B 51  ? 0.532679 0.80706  0.594713  0.0126761   0.0448881   -0.00558603 63  ASN   B HD21 
2633 H HD22 . ASN   B 51  ? 0.520134 0.83906  0.621245  0.00612026  0.0385584   -0.0127889  63  ASN   B HD22 
2634 N N    . GLY   B 52  ? 0.529733 0.628972 0.721419  -0.114644   0.0423682   0.0267421   64  GLY   B N    
2635 C CA   . GLY   B 52  ? 0.581365 0.539872 0.714939  -0.135377   0.066764    0.0171906   64  GLY   B CA   
2636 C C    . GLY   B 52  ? 0.601126 0.550888 0.662995  -0.134285   0.0611863   -0.00332689 64  GLY   B C    
2637 O O    . GLY   B 52  ? 0.546363 0.613188 0.611918  -0.101397   -0.0520445  -0.0640538  64  GLY   B O    
2638 H H    . GLY   B 52  ? 0.531984 0.59091  0.681095  -0.104877   0.0324881   0.0185774   64  GLY   B H    
2639 H HA2  . GLY   B 52  ? 0.582498 0.589369 0.724534  -0.13637    0.072661    0.0244476   64  GLY   B HA2  
2640 H HA3  . GLY   B 52  ? 0.585607 0.545305 0.691235  -0.122116   0.0710508   0.0250083   64  GLY   B HA3  
2641 N N    . LYS   B 53  ? 0.660672 0.563914 0.742181  -0.129834   0.0526573   -0.0203508  65  LYS   B N    
2642 C CA   . LYS   B 53  ? 0.700587 0.602444 0.757602  -0.10927    0.0941292   -0.0348243  65  LYS   B CA   
2643 C C    . LYS   B 53  ? 0.687723 0.615237 0.683551  -0.0630191  0.135634    -0.0528021  65  LYS   B C    
2644 O O    . LYS   B 53  ? 0.700398 0.531588 0.72321   -0.0559719  0.143624    -0.0659686  65  LYS   B O    
2645 C CB   . LYS   B 53  ? 0.74986  0.543433 0.794513  -0.221758   0.108069    0.0265664   65  LYS   B CB   
2646 H H    . LYS   B 53  ? 0.662979 0.577638 0.741918  -0.125778   0.0775584   -0.00363608 65  LYS   B H    
2647 H HA   . LYS   B 53  ? 0.684427 0.576841 0.744612  -0.122386   0.0790254   -0.0413672  65  LYS   B HA   
2648 H HB2  . LYS   B 53  ? 0.253303 0.253303 0.253303  0           0           0           65  LYS   B HB2  
2649 H HB3  . LYS   B 53  ? 0.253303 0.253303 0.253303  0           0           0           65  LYS   B HB3  
2650 N N    . LYS   B 54  ? 0.670007 0.603696 0.641751  -0.0645409  0.163133    0.00600264  66  LYS   B N    
2651 C CA   . LYS   B 54  ? 0.657044 0.568309 0.57241   -0.0617911  0.20797     -0.00318474 66  LYS   B CA   
2652 C C    . LYS   B 54  ? 0.649448 0.42926  0.531507  -0.0326363  0.192605    0.0157349   66  LYS   B C    
2653 O O    . LYS   B 54  ? 0.63957  0.431894 0.530506  -0.0271426  0.237832    -0.0612294  66  LYS   B O    
2654 C CB   . LYS   B 54  ? 0.728191 0.641174 0.543249  -0.0173022  0.23356     -0.0311727  66  LYS   B CB   
2655 H H    . LYS   B 54  ? 0.663676 0.620587 0.638204  -0.0685034  0.171016    0.00215224  66  LYS   B H    
2656 H HA   . LYS   B 54  ? 0.695628 0.55651  0.602957  -0.0630099  0.196162    -0.0055025  66  LYS   B HA   
2657 H HB2  . LYS   B 54  ? 0.253303 0.253303 0.253303  0           0           0           66  LYS   B HB2  
2658 H HB3  . LYS   B 54  ? 0.253303 0.253303 0.253303  0           0           0           66  LYS   B HB3  
2659 N N    . PHE   B 55  ? 0.627008 0.382371 0.528986  -0.0365744  0.154739    -0.0260609  67  PHE   B N    
2660 C CA   . PHE   B 55  ? 0.589454 0.42744  0.509431  -0.0151047  0.122535    0.0103679   67  PHE   B CA   
2661 C C    . PHE   B 55  ? 0.635486 0.414814 0.518759  -0.0319125  0.13682     0.0378262   67  PHE   B C    
2662 O O    . PHE   B 55  ? 0.655264 0.394562 0.600464  -0.0317825  0.151427    0.073359    67  PHE   B O    
2663 C CB   . PHE   B 55  ? 0.608979 0.43424  0.545876  0.0372662   0.0719393   -0.026443   67  PHE   B CB   
2664 C CG   . PHE   B 55  ? 0.59736  0.42673  0.487199  0.0063482   0.0760813   -0.056762   67  PHE   B CG   
2665 C CD1  . PHE   B 55  ? 0.56778  0.474367 0.482916  0.0115217   0.0664184   -0.0465856  67  PHE   B CD1  
2666 C CD2  . PHE   B 55  ? 0.59176  0.471713 0.607056  -0.0370505  0.0346091   -0.0459615  67  PHE   B CD2  
2667 C CE1  . PHE   B 55  ? 0.566216 0.45025  0.485273  0.00190967  0.00540533  -0.068364   67  PHE   B CE1  
2668 C CE2  . PHE   B 55  ? 0.556746 0.455361 0.574157  -0.0587929  0.0262851   -0.0729306  67  PHE   B CE2  
2669 C CZ   . PHE   B 55  ? 0.524775 0.460318 0.533197  -0.0305223  0.0444852   -0.0718303  67  PHE   B CZ   
2670 H H    . PHE   B 55  ? 0.655718 0.392884 0.559482  -0.0462201  0.158038    -0.00747866 67  PHE   B H    
2671 H HA   . PHE   B 55  ? 0.57282  0.416462 0.491185  -0.00632736 0.118919    -0.00512043 67  PHE   B HA   
2672 H HB2  . PHE   B 55  ? 0.639597 0.437413 0.556521  0.0100653   0.0882417   -0.0218835  67  PHE   B HB2  
2673 H HB3  . PHE   B 55  ? 0.608811 0.417218 0.514706  0.0335422   0.0813361   -0.0229952  67  PHE   B HB3  
2674 H HD1  . PHE   B 55  ? 0.566589 0.446228 0.46278   0.0241935   0.058985    -0.0424225  67  PHE   B HD1  
2675 H HD2  . PHE   B 55  ? 0.617144 0.469168 0.606426  -0.0463438  0.0489203   -0.0498411  67  PHE   B HD2  
2676 H HE1  . PHE   B 55  ? 0.531314 0.452365 0.467188  0.0117205   0.0233432   -0.0703757  67  PHE   B HE1  
2677 H HE2  . PHE   B 55  ? 0.56523  0.473901 0.596734  -0.0673258  0.0250982   -0.0779024  67  PHE   B HE2  
2678 H HZ   . PHE   B 55  ? 0.527691 0.463285 0.528307  -0.030131   0.0237512   -0.0853957  67  PHE   B HZ   
2679 N N    . ASP   B 56  ? 0.605312 0.378683 0.489163  -0.0277018  0.122863    0.0439851   68  ASP   B N    
2680 C CA   . ASP   B 56  ? 0.61548  0.331574 0.441532  -0.00477298 0.157142    0.0919463   68  ASP   B CA   
2681 C C    . ASP   B 56  ? 0.638284 0.327435 0.43895   0.0130349   0.145262    0.0613324   68  ASP   B C    
2682 O O    . ASP   B 56  ? 0.643597 0.372496 0.43458   -0.0103722  0.104618    0.09388     68  ASP   B O    
2683 C CB   . ASP   B 56  ? 0.615041 0.395414 0.408583  0.0159941   0.132148    0.0534806   68  ASP   B CB   
2684 C CG   . ASP   B 56  ? 0.633609 0.347661 0.396252  0.0483032   0.125311    0.0469002   68  ASP   B CG   
2685 O OD1  . ASP   B 56  ? 0.720105 0.413013 0.440154  0.0224156   0.032302    0.131039    68  ASP   B OD1  
2686 O OD2  . ASP   B 56  ? 0.67204  0.398931 0.403377  0.0434036   0.137072    0.0487716   68  ASP   B OD2  
2687 H H    . ASP   B 56  ? 0.579933 0.379257 0.461845  -0.0212707  0.13043     0.043172    68  ASP   B H    
2688 H HA   . ASP   B 56  ? 0.651155 0.348224 0.45512   -0.00836296 0.156204    0.0963414   68  ASP   B HA   
2689 H HB2  . ASP   B 56  ? 0.615663 0.381126 0.411001  0.0142086   0.141921    0.0680823   68  ASP   B HB2  
2690 H HB3  . ASP   B 56  ? 0.585524 0.370947 0.400116  0.0174038   0.131664    0.0451375   68  ASP   B HB3  
2691 N N    . SER   B 57  ? 0.678651 0.411609 0.455232  0.0511736   0.144052    0.0825855   69  SER   B N    
2692 C CA   . SER   B 57  ? 0.680477 0.437477 0.480646  0.0750424   0.133267    0.0796962   69  SER   B CA   
2693 C C    . SER   B 57  ? 0.676804 0.524249 0.427304  0.0724251   0.124486    0.0983246   69  SER   B C    
2694 O O    . SER   B 57  ? 0.753954 0.592704 0.475473  0.114939    0.138675    0.174463    69  SER   B O    
2695 C CB   . SER   B 57  ? 0.767737 0.467818 0.508041  0.0671897   0.109608    0.060757    69  SER   B CB   
2696 O OG   . SER   B 57  ? 0.834015 0.468879 0.610518  0.142489    0.0682532   -0.00273933 69  SER   B OG   
2697 H H    . SER   B 57  ? 0.696778 0.399089 0.46769   0.0473634   0.148643    0.0926842   69  SER   B H    
2698 H HA   . SER   B 57  ? 0.657626 0.445078 0.445295  0.0695722   0.122336    0.0672864   69  SER   B HA   
2699 H HB2  . SER   B 57  ? 0.74491  0.461224 0.525638  0.0647635   0.109729    0.0467036   69  SER   B HB2  
2700 H HB3  . SER   B 57  ? 0.789203 0.46175  0.544657  0.069804    0.117591    0.0677595   69  SER   B HB3  
2701 H HG   . SER   B 57  ? 0.253303 0.253303 0.253303  0           0           0           69  SER   B HG   
2702 N N    . SER   B 58  ? 0.634566 0.468036 0.346465  0.0820685   0.0843829   0.0726926   70  SER   B N    
2703 C CA   . SER   B 58  ? 0.672477 0.463274 0.371956  0.109781    0.0703215   0.072773    70  SER   B CA   
2704 C C    . SER   B 58  ? 0.726435 0.476124 0.388418  0.125383    0.0575976   0.0871004   70  SER   B C    
2705 O O    . SER   B 58  ? 0.791863 0.603631 0.337971  0.170021    0.0746869   0.109784    70  SER   B O    
2706 C CB   . SER   B 58  ? 0.634749 0.423837 0.41545   0.103798    0.0559238   0.0564241   70  SER   B CB   
2707 O OG   . SER   B 58  ? 0.656831 0.41218  0.475364  0.0736108   -0.00278363 0.0148265   70  SER   B OG   
2708 H H    . SER   B 58  ? 0.620034 0.467077 0.347137  0.0809285   0.0868865   0.069923    70  SER   B H    
2709 H HA   . SER   B 58  ? 0.669474 0.466362 0.366872  0.11262     0.0674206   0.0834121   70  SER   B HA   
2710 H HB2  . SER   B 58  ? 0.659263 0.439288 0.426491  0.119966    0.0389337   0.053609    70  SER   B HB2  
2711 H HB3  . SER   B 58  ? 0.615954 0.431214 0.395985  0.101892    0.0413456   0.0500869   70  SER   B HB3  
2712 H HG   . SER   B 58  ? 0.253303 0.253303 0.253303  0           0           0           70  SER   B HG   
2713 N N    . HIS   B 59  ? 0.738013 0.437273 0.503346  0.0894087   0.0696436   0.0485348   71  HIS   B N    
2714 C CA   . HIS   B 59  ? 0.814587 0.46998  0.585297  0.0568956   0.0742596   0.0632937   71  HIS   B CA   
2715 C C    . HIS   B 59  ? 0.922569 0.55001  0.583723  0.0308842   0.0744582   0.101321    71  HIS   B C    
2716 O O    . HIS   B 59  ? 1.03214  0.53364  0.677954  0.0192856   0.00724573  0.0676393   71  HIS   B O    
2717 C CB   . HIS   B 59  ? 0.781816 0.47522  0.637206  0.0229781   0.0766076   -0.0100594  71  HIS   B CB   
2718 C CG   . HIS   B 59  ? 0.775324 0.469415 0.666168  0.00560981  0.0893867   -0.0482407  71  HIS   B CG   
2719 N ND1  . HIS   B 59  ? 0.753914 0.507186 0.686982  0.0140144   0.0882718   -0.0589188  71  HIS   B ND1  
2720 C CD2  . HIS   B 59  ? 0.759796 0.494957 0.700508  -0.0142406  0.107805    -0.078761   71  HIS   B CD2  
2721 C CE1  . HIS   B 59  ? 0.737245 0.456837 0.691377  0.0261607   0.0951296   -0.107075   71  HIS   B CE1  
2722 N NE2  . HIS   B 59  ? 0.745361 0.475045 0.694319  -7.968e-05  0.0964825   -0.0860254  71  HIS   B NE2  
2723 H H    . HIS   B 59  ? 0.716941 0.449687 0.478171  0.074304    0.0700523   0.0483629   71  HIS   B H    
2724 H HA   . HIS   B 59  ? 0.829    0.480611 0.585466  0.0771922   0.0687648   0.052254    71  HIS   B HA   
2725 H HB2  . HIS   B 59  ? 0.767154 0.468844 0.630563  0.00491385  0.0823857   -0.00255912 71  HIS   B HB2  
2726 H HB3  . HIS   B 59  ? 0.832525 0.47282  0.668794  0.0169419   0.0830936   0.00093649  71  HIS   B HB3  
2727 H HD1  . HIS   B 59  ? 0.253303 0.253303 0.253303  0           0           0           71  HIS   B HD1  
2728 H HD2  . HIS   B 59  ? 0.735232 0.482267 0.677147  -0.0322856  0.103492    -0.0782359  71  HIS   B HD2  
2729 H HE1  . HIS   B 59  ? 0.746679 0.479732 0.695416  0.0448827   0.0927346   -0.0980378  71  HIS   B HE1  
2730 H HE2  . HIS   B 59  ? 0.253303 0.253303 0.253303  0           0           0           71  HIS   B HE2  
2731 N N    . ASP   B 60  ? 0.896242 0.665575 0.594319  0.0300524   0.143697    0.179988    72  ASP   B N    
2732 C CA   . ASP   B 60  ? 0.981315 0.755703 0.605294  0.00305891  0.133533    0.246839    72  ASP   B CA   
2733 C C    . ASP   B 60  ? 1.03987  0.764125 0.5706    -0.00897612 0.117729    0.310979    72  ASP   B C    
2734 O O    . ASP   B 60  ? 1.13224  0.908349 0.604049  -0.0451955  0.163729    0.373539    72  ASP   B O    
2735 C CB   . ASP   B 60  ? 0.95159  0.823526 0.622664  0.0161135   0.149285    0.218233    72  ASP   B CB   
2736 C CG   . ASP   B 60  ? 0.898542 0.794854 0.725581  -0.0206119  0.132878    0.174747    72  ASP   B CG   
2737 O OD1  . ASP   B 60  ? 0.859385 0.876744 0.865051  -0.131852   0.0955951   0.134844    72  ASP   B OD1  
2738 O OD2  . ASP   B 60  ? 0.829876 0.657334 0.582849  -0.0306353  0.213749    0.270534    72  ASP   B OD2  
2739 H H    . ASP   B 60  ? 0.864317 0.642288 0.562203  0.0179659   0.119925    0.156921    72  ASP   B H    
2740 H HA   . ASP   B 60  ? 1.00744  0.748812 0.635938  -0.00675539 0.142613    0.242884    72  ASP   B HA   
2741 H HB2  . ASP   B 60  ? 0.920785 0.805739 0.608055  0.024525    0.138276    0.219059    72  ASP   B HB2  
2742 H HB3  . ASP   B 60  ? 0.972052 0.81117  0.643865  0.00413839  0.15241     0.236351    72  ASP   B HB3  
2743 N N    . ARG   B 61  ? 0.968027 0.789193 0.523727  0.0309492   0.0262784   0.234983    73  ARG   B N    
2744 C CA   . ARG   B 61  ? 1.00522  0.750475 0.479278  0.0647736   0.019455    0.24465     73  ARG   B CA   
2745 C C    . ARG   B 61  ? 1.00131  0.751103 0.520074  0.0929251   0.0158253   0.202449    73  ARG   B C    
2746 O O    . ARG   B 61  ? 1.01358  0.852378 0.545332  0.114521    0.0245563   0.200502    73  ARG   B O    
2747 C CB   . ARG   B 61  ? 1.0095   0.734538 0.342261  0.0694185   -0.063071   0.239641    73  ARG   B CB   
2748 H H    . ARG   B 61  ? 0.945019 0.764225 0.516702  0.0314395   0.0367438   0.222495    73  ARG   B H    
2749 H HA   . ARG   B 61  ? 1.03979  0.759799 0.475575  0.0611607   0.0131547   0.25492     73  ARG   B HA   
2750 H HB2  . ARG   B 61  ? 0.253303 0.253303 0.253303  0           0           0           73  ARG   B HB2  
2751 H HB3  . ARG   B 61  ? 0.253303 0.253303 0.253303  0           0           0           73  ARG   B HB3  
2752 N N    . ASN   B 62  ? 0.912476 0.640291 0.603313  0.0911833   0.019815    0.144526    74  ASN   B N    
2753 C CA   . ASN   B 62  ? 0.912856 0.583577 0.647094  0.096302    0.00752173  0.163577    74  ASN   B CA   
2754 C C    . ASN   B 62  ? 0.884763 0.570462 0.664039  0.123352    -0.0512413  0.163107    74  ASN   B C    
2755 O O    . ASN   B 62  ? 0.891865 0.618514 0.697426  0.164243    -0.0676624  0.18076     74  ASN   B O    
2756 C CB   . ASN   B 62  ? 0.943247 0.533534 0.658294  0.144308    0.0235865   0.153623    74  ASN   B CB   
2757 H H    . ASN   B 62  ? 0.902942 0.636993 0.587857  0.0663311   0.0219174   0.154823    74  ASN   B H    
2758 H HA   . ASN   B 62  ? 0.902383 0.566109 0.654182  0.0972018   0.0050193   0.141927    74  ASN   B HA   
2759 H HB2  . ASN   B 62  ? 0.253303 0.253303 0.253303  0           0           0           74  ASN   B HB2  
2760 H HB3  . ASN   B 62  ? 0.253303 0.253303 0.253303  0           0           0           74  ASN   B HB3  
2761 N N    . GLU   B 63  ? 0.869976 0.583826 0.616105  0.0386254   -0.0926898  0.177604    75  GLU   B N    
2762 C CA   . GLU   B 63  ? 0.876129 0.568025 0.647906  0.0687326   -0.0907618  0.158487    75  GLU   B CA   
2763 C C    . GLU   B 63  ? 0.795779 0.515003 0.59591   0.0731968   -0.0606904  0.135531    75  GLU   B C    
2764 O O    . GLU   B 63  ? 0.669431 0.470367 0.437499  0.00616957  -0.0844857  0.0945037   75  GLU   B O    
2765 C CB   . GLU   B 63  ? 0.904417 0.62486  0.703583  0.0653606   -0.139885   0.117298    75  GLU   B CB   
2766 C CG   . GLU   B 63  ? 0.882129 0.648692 0.7364    0.0496297   -0.116594   0.114724    75  GLU   B CG   
2767 C CD   . GLU   B 63  ? 0.884404 0.670117 0.798257  0.0312137   -0.12997    0.10613     75  GLU   B CD   
2768 O OE1  . GLU   B 63  ? 0.852094 0.659171 0.753622  -0.013739   -0.0627741  0.136472    75  GLU   B OE1  
2769 O OE2  . GLU   B 63  ? 0.905531 0.70485  0.873661  0.0356718   -0.190508   0.173022    75  GLU   B OE2  
2770 H H    . GLU   B 63  ? 0.84982  0.570285 0.612543  0.0367231   -0.0744629  0.167258    75  GLU   B H    
2771 H HA   . GLU   B 63  ? 0.890838 0.577003 0.664663  0.0827743   -0.0942087  0.144861    75  GLU   B HA   
2772 H HB2  . GLU   B 63  ? 0.888841 0.637001 0.699406  0.0873314   -0.132482   0.120615    75  GLU   B HB2  
2773 H HB3  . GLU   B 63  ? 0.943256 0.632478 0.724718  0.0827946   -0.124124   0.135255    75  GLU   B HB3  
2774 H HG2  . GLU   B 63  ? 0.899071 0.629973 0.741548  0.0298852   -0.11419    0.119861    75  GLU   B HG2  
2775 H HG3  . GLU   B 63  ? 0.839082 0.631791 0.714354  0.0293549   -0.12098    0.101395    75  GLU   B HG3  
2776 N N    . PRO   B 64  ? 0.780002 0.493954 0.568171  0.145884    0.00318833  0.0798907   76  PRO   B N    
2777 C CA   . PRO   B 64  ? 0.734848 0.444048 0.488784  0.147484    -0.0211618  0.0542112   76  PRO   B CA   
2778 C C    . PRO   B 64  ? 0.732948 0.429514 0.447718  0.135645    -0.0657095  0.0661712   76  PRO   B C    
2779 O O    . PRO   B 64  ? 0.650148 0.493584 0.461716  0.0712529   -0.116496   0.0430143   76  PRO   B O    
2780 C CB   . PRO   B 64  ? 0.748685 0.481708 0.514226  0.164655    0.00066769  0.0252632   76  PRO   B CB   
2781 C CG   . PRO   B 64  ? 0.808264 0.478324 0.582005  0.183673    0.0163838   0.0394003   76  PRO   B CG   
2782 C CD   . PRO   B 64  ? 0.871524 0.520139 0.575461  0.180145    0.0129166   0.0560596   76  PRO   B CD   
2783 H HA   . PRO   B 64  ? 0.72909  0.434121 0.488515  0.12813     -0.0167098  0.0494218   76  PRO   B HA   
2784 H HB2  . PRO   B 64  ? 0.728163 0.489267 0.509938  0.169113    -0.00784938 0.0341068   76  PRO   B HB2  
2785 H HB3  . PRO   B 64  ? 0.726351 0.4686   0.512262  0.156001    0.00183639  0.0218294   76  PRO   B HB3  
2786 H HG2  . PRO   B 64  ? 0.8113   0.515901 0.579212  0.203169    0.0057648   0.0370875   76  PRO   B HG2  
2787 H HG3  . PRO   B 64  ? 0.819863 0.487909 0.584226  0.18518     0.016708    0.0305282   76  PRO   B HG3  
2788 H HD2  . PRO   B 64  ? 0.860869 0.524474 0.590148  0.192828    0.00386552  0.0697754   76  PRO   B HD2  
2789 H HD3  . PRO   B 64  ? 0.883298 0.506551 0.606358  0.183793    0.0130749   0.0628859   76  PRO   B HD3  
2790 N N    . PHE   B 65  ? 0.644216 0.384287 0.366976  0.0946808   -0.0300284  0.0827067   77  PHE   B N    
2791 C CA   . PHE   B 65  ? 0.617191 0.402731 0.343702  0.102298    -0.00374148 0.0246452   77  PHE   B CA   
2792 C C    . PHE   B 65  ? 0.583203 0.430207 0.341121  0.0874883   -0.0287458  0.00421235  77  PHE   B C    
2793 O O    . PHE   B 65  ? 0.624858 0.427196 0.277469  0.125248    -0.07622    -0.050499   77  PHE   B O    
2794 C CB   . PHE   B 65  ? 0.575619 0.379318 0.310993  0.0606839   0.00112082  0.0423139   77  PHE   B CB   
2795 C CG   . PHE   B 65  ? 0.555899 0.392626 0.315643  0.0611735   0.0204423   0.0237744   77  PHE   B CG   
2796 C CD1  . PHE   B 65  ? 0.630368 0.412683 0.308366  0.0362839   0.0129607   0.0366953   77  PHE   B CD1  
2797 C CD2  . PHE   B 65  ? 0.543454 0.417854 0.279348  0.0576933   0.00785478  0.0212291   77  PHE   B CD2  
2798 C CE1  . PHE   B 65  ? 0.621614 0.380457 0.307739  0.0387763   -0.00569594 0.0279179   77  PHE   B CE1  
2799 C CE2  . PHE   B 65  ? 0.512378 0.452701 0.245233  0.0387649   0.0164421   -0.00344094 77  PHE   B CE2  
2800 C CZ   . PHE   B 65  ? 0.587073 0.427228 0.219065  0.0121367   0.00293899  0.0169689   77  PHE   B CZ   
2801 H H    . PHE   B 65  ? 0.643509 0.383027 0.371136  0.092963    -0.0284663  0.0568063   77  PHE   B H    
2802 H HA   . PHE   B 65  ? 0.629784 0.409252 0.351778  0.098769    -0.0175439  0.0459969   77  PHE   B HA   
2803 H HB2  . PHE   B 65  ? 0.592668 0.371435 0.322333  0.0591297   0.0129012   0.0407596   77  PHE   B HB2  
2804 H HB3  . PHE   B 65  ? 0.564735 0.374399 0.30874   0.0601921   0.00908405  0.0269569   77  PHE   B HB3  
2805 H HD1  . PHE   B 65  ? 0.641919 0.402261 0.323718  0.0502909   0.0130527   0.0418574   77  PHE   B HD1  
2806 H HD2  . PHE   B 65  ? 0.526746 0.417014 0.28618   0.052419    0.0152535   0.00746894  77  PHE   B HD2  
2807 H HE1  . PHE   B 65  ? 0.632116 0.406865 0.300083  0.0351659   -0.00493235 0.0374399   77  PHE   B HE1  
2808 H HE2  . PHE   B 65  ? 0.51234  0.443711 0.241795  0.0306704   0.00855905  -0.0050536  77  PHE   B HE2  
2809 H HZ   . PHE   B 65  ? 0.566316 0.426713 0.233076  0.0195242   -0.00054433 0.0134994   77  PHE   B HZ   
2810 N N    . VAL   B 66  ? 0.587998 0.421711 0.35746   0.105972    -0.044805   -0.00591793 78  VAL   B N    
2811 C CA   . VAL   B 66  ? 0.537956 0.428903 0.382312  0.120442    -0.0501993  -0.0201728  78  VAL   B CA   
2812 C C    . VAL   B 66  ? 0.52555  0.427545 0.363496  0.0636303   -0.045782   0.00705934  78  VAL   B C    
2813 O O    . VAL   B 66  ? 0.553178 0.479584 0.321813  0.0521845   -0.0573389  0.00080819  78  VAL   B O    
2814 C CB   . VAL   B 66  ? 0.551547 0.495698 0.485267  0.138627    -0.0624259  -0.019703   78  VAL   B CB   
2815 C CG1  . VAL   B 66  ? 0.517492 0.577089 0.523312  0.14283     -0.0889769  -0.0297829  78  VAL   B CG1  
2816 C CG2  . VAL   B 66  ? 0.555064 0.471234 0.507148  0.162518    -0.0810149  -0.0175433  78  VAL   B CG2  
2817 H H    . VAL   B 66  ? 0.591275 0.42392  0.357039  0.106065    -0.0448799  0.00356068  78  VAL   B H    
2818 H HA   . VAL   B 66  ? 0.531183 0.434569 0.387419  0.105637    -0.042599   -0.0203133  78  VAL   B HA   
2819 H HB   . VAL   B 66  ? 0.561977 0.495175 0.477255  0.145042    -0.0757155  -0.0117507  78  VAL   B HB   
2820 H HG11 . VAL   B 66  ? 0.50714  0.562645 0.522385  0.138808    -0.0778101  -0.0353694  78  VAL   B HG11 
2821 H HG12 . VAL   B 66  ? 0.51009  0.573045 0.508827  0.134026    -0.0890704  -0.0263     78  VAL   B HG12 
2822 H HG13 . VAL   B 66  ? 0.542699 0.588037 0.536983  0.161756    -0.0897544  -0.0243618  78  VAL   B HG13 
2823 H HG21 . VAL   B 66  ? 0.576388 0.497639 0.524797  0.182159    -0.0817469  -0.0143751  78  VAL   B HG21 
2824 H HG22 . VAL   B 66  ? 0.577109 0.457058 0.503719  0.156107    -0.0693666  -0.0109658  78  VAL   B HG22 
2825 H HG23 . VAL   B 66  ? 0.547686 0.470431 0.507348  0.156265    -0.0678769  -0.0251436  78  VAL   B HG23 
2826 N N    . PHE   B 67  ? 0.52276  0.4337   0.370692  0.0498992   -0.030844   0.0290909   79  PHE   B N    
2827 C CA   . PHE   B 67  ? 0.484549 0.44823  0.307917  0.0457639   -0.0485236  -0.021852   79  PHE   B CA   
2828 C C    . PHE   B 67  ? 0.448688 0.486967 0.341308  0.0456076   -0.0258977  -0.0456038  79  PHE   B C    
2829 O O    . PHE   B 67  ? 0.511588 0.534053 0.330295  0.03711     -0.0314126  -0.0927861  79  PHE   B O    
2830 C CB   . PHE   B 67  ? 0.460931 0.432301 0.327462  0.0341786   -0.0191283  -0.0177404  79  PHE   B CB   
2831 C CG   . PHE   B 67  ? 0.429763 0.379663 0.309743  0.0438327   -0.0305054  -0.0573519  79  PHE   B CG   
2832 C CD1  . PHE   B 67  ? 0.448726 0.392509 0.351075  0.0263086   -0.0496418  -0.0365335  79  PHE   B CD1  
2833 C CD2  . PHE   B 67  ? 0.381666 0.429106 0.324362  0.0328913   -0.0134351  -0.0180353  79  PHE   B CD2  
2834 C CE1  . PHE   B 67  ? 0.451188 0.393797 0.34243   0.0287577   -0.0421344  -0.0447099  79  PHE   B CE1  
2835 C CE2  . PHE   B 67  ? 0.358781 0.387843 0.311058  0.0199303   -0.0177812  -0.0340738  79  PHE   B CE2  
2836 C CZ   . PHE   B 67  ? 0.40533  0.395627 0.291159  0.014692    -0.00554752 -0.0267378  79  PHE   B CZ   
2837 H H    . PHE   B 67  ? 0.504571 0.437611 0.373278  0.0538314   -0.0354072  0.00765804  79  PHE   B H    
2838 H HA   . PHE   B 67  ? 0.495678 0.466221 0.315895  0.0531114   -0.051959   -0.0112396  79  PHE   B HA   
2839 H HB2  . PHE   B 67  ? 0.456908 0.433093 0.312981  0.0319084   -0.0343353  -0.0211901  79  PHE   B HB2  
2840 H HB3  . PHE   B 67  ? 0.471372 0.406454 0.310143  0.03911     -0.0250603  -0.0186104  79  PHE   B HB3  
2841 H HD1  . PHE   B 67  ? 0.464567 0.387471 0.347997  0.0440781   -0.0418816  -0.0381428  79  PHE   B HD1  
2842 H HD2  . PHE   B 67  ? 0.390496 0.428195 0.325044  0.0316211   -0.0240783  -0.0249744  79  PHE   B HD2  
2843 H HE1  . PHE   B 67  ? 0.444178 0.381628 0.334663  0.0280175   -0.0274903  -0.0403433  79  PHE   B HE1  
2844 H HE2  . PHE   B 67  ? 0.361431 0.396813 0.305078  0.00784532  -0.0130542  -0.0312756  79  PHE   B HE2  
2845 H HZ   . PHE   B 67  ? 0.391122 0.383547 0.295151  0.0121702   -0.0101956  -0.0345008  79  PHE   B HZ   
2846 N N    . SER   B 68  ? 0.454233 0.524128 0.374877  0.0330791   -0.0698444  -0.0255963  80  SER   B N    
2847 C CA   . SER   B 68  ? 0.393008 0.541762 0.397293  0.0602784   -0.0655578  -0.0168915  80  SER   B CA   
2848 C C    . SER   B 68  ? 0.368895 0.526287 0.357202  0.0671268   -0.0444633  -0.00956372 80  SER   B C    
2849 O O    . SER   B 68  ? 0.35687  0.510928 0.381205  0.0769475   -0.017066   0.00905518  80  SER   B O    
2850 C CB   . SER   B 68  ? 0.412224 0.569761 0.443078  0.0717605   -0.0977538  -0.0144117  80  SER   B CB   
2851 O OG   . SER   B 68  ? 0.511255 0.637563 0.428663  0.0982494   -0.133831   0.0208808   80  SER   B OG   
2852 H H    . SER   B 68  ? 0.45028  0.513899 0.370145  0.0397208   -0.0692981  -0.0223909  80  SER   B H    
2853 H HA   . SER   B 68  ? 0.401315 0.556838 0.409462  0.070403    -0.0615941  -0.0189662  80  SER   B HA   
2854 H HB2  . SER   B 68  ? 0.428363 0.566021 0.415047  0.0629999   -0.102327   -0.00977966 80  SER   B HB2  
2855 H HB3  . SER   B 68  ? 0.414281 0.596866 0.44178   0.0595159   -0.0988888  -0.0134963  80  SER   B HB3  
2856 H HG   . SER   B 68  ? 0.253303 0.253303 0.253303  0           0           0           80  SER   B HG   
2857 N N    . LEU   B 69  ? 0.353291 0.535344 0.396737  0.0550003   0.00245959  0.016678    81  LEU   B N    
2858 C CA   . LEU   B 69  ? 0.317749 0.520788 0.339676  0.0404165   -0.00923478 0.00864225  81  LEU   B CA   
2859 C C    . LEU   B 69  ? 0.352223 0.5358   0.31218   0.00273794  -0.0144677  0.0141201   81  LEU   B C    
2860 O O    . LEU   B 69  ? 0.393242 0.617934 0.37382   -0.0234291  -0.0218135  0.0385769   81  LEU   B O    
2861 C CB   . LEU   B 69  ? 0.357312 0.539006 0.339937  0.0402661   0.0353763   0.0118078   81  LEU   B CB   
2862 C CG   . LEU   B 69  ? 0.384315 0.521555 0.364062  0.0250981   0.0352576   0.0160403   81  LEU   B CG   
2863 C CD1  . LEU   B 69  ? 0.409456 0.468355 0.321829  0.00624002  0.0275123   0.0580858   81  LEU   B CD1  
2864 C CD2  . LEU   B 69  ? 0.372321 0.563448 0.374171  -0.01064    0.0902707   0.012529    81  LEU   B CD2  
2865 H H    . LEU   B 69  ? 0.350479 0.55668  0.394486  0.065775    -0.0114614  0.0064397   81  LEU   B H    
2866 H HA   . LEU   B 69  ? 0.33086  0.494505 0.322673  0.0346099   0.00384477  0.0153361   81  LEU   B HA   
2867 H HB2  . LEU   B 69  ? 0.357142 0.535008 0.35134   0.0543406   0.0268919   0.0116093   81  LEU   B HB2  
2868 H HB3  . LEU   B 69  ? 0.350996 0.566514 0.369888  0.0397865   0.0234077   0.0090147   81  LEU   B HB3  
2869 H HG   . LEU   B 69  ? 0.376954 0.524482 0.353034  0.00121252  0.0414054   0.0223184   81  LEU   B HG   
2870 H HD11 . LEU   B 69  ? 0.403062 0.461817 0.322067  0.00966776  0.0219214   0.0489868   81  LEU   B HD11 
2871 H HD12 . LEU   B 69  ? 0.395881 0.461141 0.315482  0.0060542   0.0342857   0.0488187   81  LEU   B HD12 
2872 H HD13 . LEU   B 69  ? 0.406028 0.468028 0.328348  0.0235159   0.030872    0.0462372   81  LEU   B HD13 
2873 H HD21 . LEU   B 69  ? 0.369851 0.584997 0.395122  -0.00348738 0.0780898   0.0112205   81  LEU   B HD21 
2874 H HD22 . LEU   B 69  ? 0.379795 0.557965 0.377106  0.0133823   0.0793432   0.0109029   81  LEU   B HD22 
2875 H HD23 . LEU   B 69  ? 0.373788 0.546499 0.36919   -0.00973863 0.0878403   0.0104878   81  LEU   B HD23 
2876 N N    . GLY   B 70  ? 0.378654 0.488866 0.378044  -0.0210672  -0.00459388 0.0269118   82  GLY   B N    
2877 C CA   . GLY   B 70  ? 0.428636 0.479781 0.413717  -0.0706896  0.0115141   0.0198915   82  GLY   B CA   
2878 C C    . GLY   B 70  ? 0.455808 0.482773 0.466506  -0.0928653  -0.00812697 0.0075319   82  GLY   B C    
2879 O O    . GLY   B 70  ? 0.562034 0.472323 0.6037    -0.0816004  0.00375672  0.00869903  82  GLY   B O    
2880 H H    . GLY   B 70  ? 0.379467 0.469105 0.343598  -0.0187513  0.00087757  0.0246028   82  GLY   B H    
2881 H HA2  . GLY   B 70  ? 0.422396 0.457324 0.398879  -0.0736394  0.0129956   0.0198355   82  GLY   B HA2  
2882 H HA3  . GLY   B 70  ? 0.414641 0.497564 0.428338  -0.0745588  0.0113122   0.0181299   82  GLY   B HA3  
2883 N N    . LYS   B 71  ? 0.482426 0.524184 0.466536  -0.0782428  -0.00238722 0.0088241   83  LYS   B N    
2884 C CA   . LYS   B 71  ? 0.451068 0.521824 0.475443  -0.0661332  -0.0195225  -0.0444423  83  LYS   B CA   
2885 C C    . LYS   B 71  ? 0.450554 0.491456 0.418472  -0.0976184  -0.0203211  -0.0327819  83  LYS   B C    
2886 O O    . LYS   B 71  ? 0.584063 0.58765  0.443744  -0.0853689  0.0233936   -0.0950919  83  LYS   B O    
2887 C CB   . LYS   B 71  ? 0.534241 0.529192 0.439993  -0.0650379  -0.00087372 -0.0114468  83  LYS   B CB   
2888 H H    . LYS   B 71  ? 0.463466 0.502814 0.452989  -0.0591808  -0.00025013 0.00284526  83  LYS   B H    
2889 H HA   . LYS   B 71  ? 0.474708 0.537651 0.473878  -0.0888387  -0.0190195  -0.0322291  83  LYS   B HA   
2890 H HB2  . LYS   B 71  ? 0.253303 0.253303 0.253303  0           0           0           83  LYS   B HB2  
2891 H HB3  . LYS   B 71  ? 0.253303 0.253303 0.253303  0           0           0           83  LYS   B HB3  
2892 N N    . GLY   B 72  ? 0.440184 0.45104  0.419249  -0.0368655  0.0281932   -0.00955713 84  GLY   B N    
2893 C CA   . GLY   B 72  ? 0.47228  0.436144 0.426688  -0.0265287  0.032368    -0.0112332  84  GLY   B CA   
2894 C C    . GLY   B 72  ? 0.465964 0.424358 0.370786  0.00738626  0.0740967   -0.0119652  84  GLY   B C    
2895 O O    . GLY   B 72  ? 0.511056 0.43933  0.341695  0.033855    0.0742723   -0.0756478  84  GLY   B O    
2896 H H    . GLY   B 72  ? 0.433734 0.447829 0.419608  -0.0543684  0.027624    -0.013782   84  GLY   B H    
2897 H HA2  . GLY   B 72  ? 0.454675 0.412084 0.398311  -0.0267268  0.0528671   -0.00894709 84  GLY   B HA2  
2898 H HA3  . GLY   B 72  ? 0.474652 0.439891 0.411801  -0.0303154  0.0364049   -0.0142039  84  GLY   B HA3  
2899 N N    . GLN   B 73  ? 0.457537 0.404943 0.340213  0.00303144  0.0525143   -0.0127568  85  GLN   B N    
2900 C CA   . GLN   B 73  ? 0.439308 0.424747 0.27802   0.0359494   0.0143691   0.00817254  85  GLN   B CA   
2901 C C    . GLN   B 73  ? 0.447459 0.401628 0.329252  0.0452221   0.0265553   0.02154     85  GLN   B C    
2902 O O    . GLN   B 73  ? 0.476016 0.440754 0.346745  0.0467955   -0.0170808  0.0654463   85  GLN   B O    
2903 C CB   . GLN   B 73  ? 0.44227  0.444898 0.276438  0.0435934   0.00796032  0.00265645  85  GLN   B CB   
2904 C CG   . GLN   B 73  ? 0.461313 0.476165 0.351209  0.0267804   -0.0180724  -0.0165403  85  GLN   B CG   
2905 C CD   . GLN   B 73  ? 0.448161 0.520318 0.42359   0.0482175   -0.0678982  -0.0100014  85  GLN   B CD   
2906 O OE1  . GLN   B 73  ? 0.449144 0.508009 0.395404  0.0572617   0.00047582  0.00315688  85  GLN   B OE1  
2907 N NE2  . GLN   B 73  ? 0.481164 0.566711 0.549215  0.0616389   -0.103235   -0.0267653  85  GLN   B NE2  
2908 H H    . GLN   B 73  ? 0.438403 0.420384 0.342715  0.0077206   0.0477688   -0.0101269  85  GLN   B H    
2909 H HA   . GLN   B 73  ? 0.462826 0.431042 0.285625  0.0367193   0.0144396   0.00245565  85  GLN   B HA   
2910 H HB2  . GLN   B 73  ? 0.430218 0.436551 0.285182  0.0381186   0.014697    -0.00257838 85  GLN   B HB2  
2911 H HB3  . GLN   B 73  ? 0.456756 0.439608 0.290863  0.0507318   0.0082059   0.0080144   85  GLN   B HB3  
2912 H HG2  . GLN   B 73  ? 0.470784 0.488248 0.345656  0.0361168   -0.032557   -0.0117295  85  GLN   B HG2  
2913 H HG3  . GLN   B 73  ? 0.444022 0.48242  0.352864  0.0195741   -0.0260118  -0.0174932  85  GLN   B HG3  
2914 H HE21 . GLN   B 73  ? 0.477067 0.585567 0.527851  0.0687604   -0.101371   -0.0217779  85  GLN   B HE21 
2915 H HE22 . GLN   B 73  ? 0.477036 0.575942 0.513059  0.0510923   -0.103697   -0.0246718  85  GLN   B HE22 
2916 N N    . VAL   B 74  ? 0.396714 0.38111  0.26891   0.0604477   0.0261085   -0.00675939 86  VAL   B N    
2917 C CA   . VAL   B 74  ? 0.380503 0.372689 0.27566   0.0359953   0.046215    -0.0125229  86  VAL   B CA   
2918 C C    . VAL   B 74  ? 0.35143  0.355504 0.222045  0.0115037   0.0490421   -0.0276437  86  VAL   B C    
2919 O O    . VAL   B 74  ? 0.371315 0.380083 0.216166  -0.00738549 0.0269003   -0.0255054  86  VAL   B O    
2920 C CB   . VAL   B 74  ? 0.410947 0.39279  0.266283  0.0459163   0.0421138   0.00839874  86  VAL   B CB   
2921 C CG1  . VAL   B 74  ? 0.435113 0.387934 0.292544  0.0772148   0.0440524   -0.0168025  86  VAL   B CG1  
2922 C CG2  . VAL   B 74  ? 0.38714  0.462736 0.301178  -0.00082504 0.0164797   0.0269647   86  VAL   B CG2  
2923 H H    . VAL   B 74  ? 0.396114 0.392521 0.28879   0.0429945   0.0271316   -0.009344   86  VAL   B H    
2924 H HA   . VAL   B 74  ? 0.396126 0.370249 0.259668  0.0440656   0.0436836   -0.00390178 86  VAL   B HA   
2925 H HB   . VAL   B 74  ? 0.400356 0.380945 0.271383  0.0374479   0.0491563   0.00429182  86  VAL   B HB   
2926 H HG11 . VAL   B 74  ? 0.439153 0.408289 0.297009  0.0776209   0.0350399   -0.00983863 86  VAL   B HG11 
2927 H HG12 . VAL   B 74  ? 0.446431 0.387381 0.287827  0.0763984   0.0429472   -0.00435679 86  VAL   B HG12 
2928 H HG13 . VAL   B 74  ? 0.429282 0.387168 0.29136   0.0745912   0.046655    -0.0127048  86  VAL   B HG13 
2929 H HG21 . VAL   B 74  ? 0.385528 0.448844 0.305821  0.0124589   0.0263184   0.0240329   86  VAL   B HG21 
2930 H HG22 . VAL   B 74  ? 0.383373 0.443183 0.288025  0.00030415  0.0269019   0.0158031   86  VAL   B HG22 
2931 H HG23 . VAL   B 74  ? 0.390212 0.461419 0.303108  0.0130011   0.0148474   0.0177174   86  VAL   B HG23 
2932 N N    . ILE   B 75  ? 0.364823 0.307529 0.292126  0.00597516  0.00782374  -0.00400563 87  ILE   B N    
2933 C CA   . ILE   B 75  ? 0.371852 0.299993 0.202758  -0.0195692  0.0125965   0.0155752   87  ILE   B CA   
2934 C C    . ILE   B 75  ? 0.346014 0.323279 0.234169  -0.0123231  0.0311812   -0.014945   87  ILE   B C    
2935 O O    . ILE   B 75  ? 0.363502 0.338381 0.257408  0.00554895  0.0167611   -0.0250312  87  ILE   B O    
2936 C CB   . ILE   B 75  ? 0.342518 0.317792 0.187621  -0.00311908 0.0326983   0.0209509   87  ILE   B CB   
2937 C CG1  . ILE   B 75  ? 0.350551 0.352428 0.206312  -0.00718918 0.0575754   -0.0154652  87  ILE   B CG1  
2938 C CG2  . ILE   B 75  ? 0.38233  0.368955 0.202393  0.0157387   0.0585713   -0.00175239 87  ILE   B CG2  
2939 C CD1  . ILE   B 75  ? 0.383351 0.344958 0.161917  0.00508288  0.0250155   -0.0407885  87  ILE   B CD1  
2940 H H    . ILE   B 75  ? 0.366388 0.312564 0.253232  0.00533955  0.0245789   4.359e-05   87  ILE   B H    
2941 H HA   . ILE   B 75  ? 0.371198 0.311858 0.217198  -0.0100023  0.0149257   0.00457683  87  ILE   B HA   
2942 H HB   . ILE   B 75  ? 0.348541 0.315183 0.187669  -0.00393385 0.0379694   0.0112119   87  ILE   B HB   
2943 H HG12 . ILE   B 75  ? 0.362932 0.350826 0.202236  -0.00104715 0.0441431   -0.0133602  87  ILE   B HG12 
2944 H HG13 . ILE   B 75  ? 0.346117 0.34269  0.1928    -0.0057162  0.0453868   -0.0163899  87  ILE   B HG13 
2945 H HG21 . ILE   B 75  ? 0.37721  0.351593 0.196967  0.0105834   0.0589904   0.00855125  87  ILE   B HG21 
2946 H HG22 . ILE   B 75  ? 0.38351  0.363983 0.205447  0.0124599   0.0519263   0.00691669  87  ILE   B HG22 
2947 H HG23 . ILE   B 75  ? 0.383492 0.360413 0.195568  0.0128288   0.0490434   0.00577659  87  ILE   B HG23 
2948 H HD11 . ILE   B 75  ? 0.368669 0.341593 0.168732  -0.00109657 0.0363267   -0.0361721  87  ILE   B HD11 
2949 H HD12 . ILE   B 75  ? 0.370563 0.337166 0.176335  -0.00083184 0.0370643   -0.0393265  87  ILE   B HD12 
2950 H HD13 . ILE   B 75  ? 0.383431 0.346426 0.179943  0.00327013  0.0358464   -0.030794   87  ILE   B HD13 
2951 N N    . LYS   B 76  ? 0.380765 0.313477 0.211598  0.00161659  0.0491941   -0.00146005 88  LYS   B N    
2952 C CA   . LYS   B 76  ? 0.36469  0.290954 0.214258  -0.00739251 0.0414291   -0.0233143  88  LYS   B CA   
2953 C C    . LYS   B 76  ? 0.323099 0.295454 0.276085  -0.0102598  0.0339689   -0.0443234  88  LYS   B C    
2954 O O    . LYS   B 76  ? 0.313994 0.340844 0.257191  -0.00405553 0.061601    0.00770854  88  LYS   B O    
2955 C CB   . LYS   B 76  ? 0.401088 0.298503 0.312875  0.0096888   0.0489214   0.0342736   88  LYS   B CB   
2956 H H    . LYS   B 76  ? 0.377651 0.307075 0.211948  -0.0019818  0.0418768   -0.0090147  88  LYS   B H    
2957 H HA   . LYS   B 76  ? 0.365486 0.310345 0.25088   -0.00715524 0.0364944   -0.016352   88  LYS   B HA   
2958 H HB2  . LYS   B 76  ? 0.253303 0.253303 0.253303  0           0           0           88  LYS   B HB2  
2959 H HB3  . LYS   B 76  ? 0.253303 0.253303 0.253303  0           0           0           88  LYS   B HB3  
2960 N N    . ALA   B 77  ? 0.321419 0.346456 0.242626  0.00718324  0.0708001   -0.0150961  89  ALA   B N    
2961 C CA   . ALA   B 77  ? 0.326816 0.332681 0.249821  -0.0034233  0.00920489  0.00137001  89  ALA   B CA   
2962 C C    . ALA   B 77  ? 0.323902 0.316108 0.230777  0.0172715   0.0210127   -0.0134675  89  ALA   B C    
2963 O O    . ALA   B 77  ? 0.351884 0.346298 0.216434  0.0142365   0.0326465   -0.0552183  89  ALA   B O    
2964 C CB   . ALA   B 77  ? 0.314904 0.358027 0.196481  -0.0155584  0.0302959   -0.015194   89  ALA   B CB   
2965 H H    . ALA   B 77  ? 0.316561 0.322475 0.236584  0.0053554   0.0579545   -0.018009   89  ALA   B H    
2966 H HA   . ALA   B 77  ? 0.322305 0.338442 0.2341    -0.00409224 0.0295765   -0.0087095  89  ALA   B HA   
2967 H HB1  . ALA   B 77  ? 0.321819 0.348399 0.204414  -0.0138941  0.0256736   -0.00926825 89  ALA   B HB1  
2968 H HB2  . ALA   B 77  ? 0.320399 0.34669  0.210533  -0.00958098 0.024261    -0.00805043 89  ALA   B HB2  
2969 H HB3  . ALA   B 77  ? 0.315121 0.346979 0.206741  -0.0122787  0.0256188   -0.0148432  89  ALA   B HB3  
2970 N N    . TRP   B 78  ? 0.356789 0.303429 0.196463  0.017734    0.0491599   -0.00956008 90  TRP   B N    
2971 C CA   . TRP   B 78  ? 0.350468 0.272763 0.265484  0.0185053   0.0250353   -0.0253868  90  TRP   B CA   
2972 C C    . TRP   B 78  ? 0.340222 0.322313 0.276212  0.0139837   0.0149111   -0.0108771  90  TRP   B C    
2973 O O    . TRP   B 78  ? 0.344905 0.338923 0.245114  0.0173947   -0.00987126 -0.0237433  90  TRP   B O    
2974 C CB   . TRP   B 78  ? 0.38524  0.310765 0.282802  0.0164537   0.0143693   -0.0357415  90  TRP   B CB   
2975 C CG   . TRP   B 78  ? 0.380108 0.318061 0.249646  0.0127745   0.0335556   0.00699473  90  TRP   B CG   
2976 C CD1  . TRP   B 78  ? 0.373301 0.318117 0.213103  0.0121754   0.0618331   -0.015526   90  TRP   B CD1  
2977 C CD2  . TRP   B 78  ? 0.373527 0.311312 0.266611  0.0195598   0.0298165   -0.0164169  90  TRP   B CD2  
2978 N NE1  . TRP   B 78  ? 0.38514  0.311601 0.259303  0.0150189   0.0182295   0.00368611  90  TRP   B NE1  
2979 C CE2  . TRP   B 78  ? 0.380648 0.333462 0.246558  0.0228105   0.0482265   -0.0228095  90  TRP   B CE2  
2980 C CE3  . TRP   B 78  ? 0.365658 0.326339 0.266255  0.0413284   0.0276069   -0.0302021  90  TRP   B CE3  
2981 C CZ2  . TRP   B 78  ? 0.3785   0.331001 0.251398  0.0252103   0.056493    -0.00915073 90  TRP   B CZ2  
2982 C CZ3  . TRP   B 78  ? 0.376391 0.33867  0.315332  0.0583496   0.0144615   -0.0257762  90  TRP   B CZ3  
2983 C CH2  . TRP   B 78  ? 0.410146 0.323585 0.282545  0.0345939   0.0720401   -0.0216033  90  TRP   B CH2  
2984 H H    . TRP   B 78  ? 0.349985 0.295938 0.201343  0.0187666   0.0392484   -0.0161468  90  TRP   B H    
2985 H HA   . TRP   B 78  ? 0.35352  0.288837 0.255806  0.0177709   0.0302568   -0.0249326  90  TRP   B HA   
2986 H HB2  . TRP   B 78  ? 0.379189 0.305891 0.267467  0.0162156   0.0167356   -0.0214386  90  TRP   B HB2  
2987 H HB3  . TRP   B 78  ? 0.382339 0.317713 0.282143  0.0211038   0.0171415   -0.0243264  90  TRP   B HB3  
2988 H HD1  . TRP   B 78  ? 0.368166 0.314593 0.220733  0.00497113  0.0473875   -0.00814199 90  TRP   B HD1  
2989 H HE1  . TRP   B 78  ? 0.382097 0.312012 0.246242  0.00976338  0.0397454   -0.00690992 90  TRP   B HE1  
2990 H HE3  . TRP   B 78  ? 0.362166 0.339742 0.279256  0.0426877   0.0203651   -0.0279298  90  TRP   B HE3  
2991 H HZ2  . TRP   B 78  ? 0.392381 0.320803 0.264377  0.0183965   0.0618721   -0.0136009  90  TRP   B HZ2  
2992 H HZ3  . TRP   B 78  ? 0.387559 0.343293 0.308986  0.0654541   0.0250282   -0.0236731  90  TRP   B HZ3  
2993 H HH2  . TRP   B 78  ? 0.417985 0.32602  0.298837  0.0439058   0.055457    -0.0165548  90  TRP   B HH2  
2994 N N    . ASP   B 79  ? 0.359537 0.325847 0.219627  -0.00968254 0.0322466   -0.0150701  91  ASP   B N    
2995 C CA   . ASP   B 79  ? 0.350246 0.341955 0.288343  -0.00347289 0.00727786  -0.034105   91  ASP   B CA   
2996 C C    . ASP   B 79  ? 0.30907  0.351547 0.299152  0.00773842  0.0150339   -0.023985   91  ASP   B C    
2997 O O    . ASP   B 79  ? 0.32089  0.444403 0.301354  0.0316642   0.0383235   0.0231522   91  ASP   B O    
2998 C CB   . ASP   B 79  ? 0.313367 0.369157 0.291933  -0.00755453 -0.00248883 -0.0304157  91  ASP   B CB   
2999 C CG   . ASP   B 79  ? 0.372138 0.379244 0.288871  -0.0248473  0.011209    -0.0348432  91  ASP   B CG   
3000 O OD1  . ASP   B 79  ? 0.370058 0.413449 0.298546  -0.0183166  -0.0107442  0.00775583  91  ASP   B OD1  
3001 O OD2  . ASP   B 79  ? 0.443217 0.39681  0.304149  -0.0398148  0.0268731   -0.0660815  91  ASP   B OD2  
3002 H H    . ASP   B 79  ? 0.352982 0.316543 0.233483  -0.00171881 0.023524    -0.0196539  91  ASP   B H    
3003 H HA   . ASP   B 79  ? 0.338351 0.36192  0.290117  0.00387347  0.0095498   -0.0288553  91  ASP   B HA   
3004 H HB2  . ASP   B 79  ? 0.331592 0.346952 0.278429  -0.0130752  0.00571008  -0.0323465  91  ASP   B HB2  
3005 H HB3  . ASP   B 79  ? 0.333062 0.375765 0.300783  -0.0210438  0.00452211  -0.0340152  91  ASP   B HB3  
3006 N N    . ILE   B 80  ? 0.310769 0.362948 0.265606  0.00604497  0.0155902   -0.0233849  92  ILE   B N    
3007 C CA   . ILE   B 80  ? 0.333692 0.344834 0.261063  -0.0144715  0.0074712   -0.0299726  92  ILE   B CA   
3008 C C    . ILE   B 80  ? 0.332886 0.326363 0.292388  -0.00797789 0.0274059   -0.0168235  92  ILE   B C    
3009 O O    . ILE   B 80  ? 0.346968 0.388968 0.284052  -0.014822   0.0607597   -0.0830724  92  ILE   B O    
3010 C CB   . ILE   B 80  ? 0.391838 0.308389 0.238796  -0.00646934 0.00865324  -0.0177007  92  ILE   B CB   
3011 C CG1  . ILE   B 80  ? 0.426223 0.296126 0.274661  -0.0192404  0.0265706   0.0297148   92  ILE   B CG1  
3012 C CG2  . ILE   B 80  ? 0.427    0.32814  0.266689  -0.016329   0.00157708  0.00681091  92  ILE   B CG2  
3013 C CD1  . ILE   B 80  ? 0.438316 0.334169 0.290411  -0.0104785  0.0454411   -0.0200278  92  ILE   B CD1  
3014 H H    . ILE   B 80  ? 0.315632 0.338229 0.258688  0.00276156  0.0126969   -0.0239406  92  ILE   B H    
3015 H HA   . ILE   B 80  ? 0.33979  0.355841 0.277939  -0.0164422  0.0161497   -0.0235507  92  ILE   B HA   
3016 H HB   . ILE   B 80  ? 0.388139 0.302982 0.242964  -0.00466202 0.00685679  -0.00827119 92  ILE   B HB   
3017 H HG12 . ILE   B 80  ? 0.420999 0.317702 0.280041  -0.0278784  0.0307957   0.011239    92  ILE   B HG12 
3018 H HG13 . ILE   B 80  ? 0.415391 0.312599 0.272773  -0.0163975  0.0184052   0.00678255  92  ILE   B HG13 
3019 H HG21 . ILE   B 80  ? 0.425731 0.319437 0.252337  -0.0169733  0.00728878  0.0017884   92  ILE   B HG21 
3020 H HG22 . ILE   B 80  ? 0.423943 0.338665 0.269126  -0.017177   0.00943858  0.00010739  92  ILE   B HG22 
3021 H HG23 . ILE   B 80  ? 0.414612 0.325557 0.254882  -0.00629005 0.00840995  -0.00113964 92  ILE   B HG23 
3022 H HD11 . ILE   B 80  ? 0.435026 0.3119   0.277735  -0.00345686 0.0355146   -0.0075234  92  ILE   B HD11 
3023 H HD12 . ILE   B 80  ? 0.447117 0.318583 0.289353  -0.0172212  0.0365648   -0.00508865 92  ILE   B HD12 
3024 H HD13 . ILE   B 80  ? 0.442154 0.317596 0.288889  -0.0134612  0.0470962   -0.00562547 92  ILE   B HD13 
3025 N N    . GLY   B 81  ? 0.305908 0.306181 0.248623  -0.00613739 0.0527392   -0.0457609  93  GLY   B N    
3026 C CA   . GLY   B 81  ? 0.312521 0.316098 0.257937  -0.0464436  -0.00982483 -0.0191743  93  GLY   B CA   
3027 C C    . GLY   B 81  ? 0.318103 0.349082 0.248136  -0.00899488 0.0233305   -0.0443176  93  GLY   B C    
3028 O O    . GLY   B 81  ? 0.349116 0.378499 0.267688  -0.00894004 0.0631188   -0.0547126  93  GLY   B O    
3029 H H    . GLY   B 81  ? 0.307546 0.301354 0.239531  -0.0150184  0.0347366   -0.0312476  93  GLY   B H    
3030 H HA2  . GLY   B 81  ? 0.3142   0.320678 0.243553  -0.0303081  0.0173775   -0.0298701  93  GLY   B HA2  
3031 H HA3  . GLY   B 81  ? 0.31098  0.305634 0.244473  -0.0281362  0.0113158   -0.0309943  93  GLY   B HA3  
3032 N N    . VAL   B 82  ? 0.335383 0.357671 0.258779  0.00489091  0.0468106   -0.0347073  94  VAL   B N    
3033 C CA   . VAL   B 82  ? 0.32097  0.339377 0.243425  0.0105092   0.0145942   -0.0280934  94  VAL   B CA   
3034 C C    . VAL   B 82  ? 0.346511 0.381057 0.330451  0.0205241   0.010084    -0.0434757  94  VAL   B C    
3035 O O    . VAL   B 82  ? 0.358624 0.41855  0.322593  0.00855798  0.0387502   -0.0663369  94  VAL   B O    
3036 C CB   . VAL   B 82  ? 0.337167 0.363439 0.273321  0.0328384   -0.0157524  -0.0311458  94  VAL   B CB   
3037 C CG1  . VAL   B 82  ? 0.413541 0.416604 0.33175   0.0668458   -0.0116778  -0.0118361  94  VAL   B CG1  
3038 C CG2  . VAL   B 82  ? 0.380595 0.336469 0.320435  0.043156    0.015522    -0.0526148  94  VAL   B CG2  
3039 H H    . VAL   B 82  ? 0.323076 0.338947 0.246837  -0.0016834  0.0271738   -0.0315511  94  VAL   B H    
3040 H HA   . VAL   B 82  ? 0.336735 0.343505 0.263667  0.0182711   0.0158047   -0.040607   94  VAL   B HA   
3041 H HB   . VAL   B 82  ? 0.343325 0.36208  0.279651  0.0282923   -0.00933893 -0.0300753  94  VAL   B HB   
3042 H HG11 . VAL   B 82  ? 0.398066 0.410584 0.329854  0.0682925   -0.00709968 -0.0176988  94  VAL   B HG11 
3043 H HG12 . VAL   B 82  ? 0.391757 0.428012 0.3301    0.0651493   -0.0134109  -0.0198854  94  VAL   B HG12 
3044 H HG13 . VAL   B 82  ? 0.397983 0.406814 0.32864   0.068368    -0.018325   -0.0167414  94  VAL   B HG13 
3045 H HG21 . VAL   B 82  ? 0.374863 0.342054 0.319261  0.0443908   0.00339766  -0.0466928  94  VAL   B HG21 
3046 H HG22 . VAL   B 82  ? 0.360586 0.327677 0.292593  0.0312513   0.00604407  -0.043444   94  VAL   B HG22 
3047 H HG23 . VAL   B 82  ? 0.374935 0.336547 0.309267  0.043286    0.00972903  -0.0473117  94  VAL   B HG23 
3048 N N    . ALA   B 83  ? 0.319642 0.365647 0.337531  0.0012772   0.0308489   -0.0389277  95  ALA   B N    
3049 C CA   . ALA   B 83  ? 0.352266 0.403239 0.322726  0.0124056   0.0604211   -0.0583187  95  ALA   B CA   
3050 C C    . ALA   B 83  ? 0.337498 0.413291 0.3245    0.0126483   0.0781288   -0.0742212  95  ALA   B C    
3051 O O    . ALA   B 83  ? 0.358695 0.404897 0.383747  -0.0230309  0.0890894   -0.0564113  95  ALA   B O    
3052 C CB   . ALA   B 83  ? 0.366326 0.43032  0.29181   0.00524946  0.0610381   -0.0699314  95  ALA   B CB   
3053 H H    . ALA   B 83  ? 0.328918 0.360408 0.319627  -0.00115253 0.0265793   -0.0400446  95  ALA   B H    
3054 H HA   . ALA   B 83  ? 0.346358 0.425439 0.340159  0.0174964   0.0563591   -0.0618352  95  ALA   B HA   
3055 H HB1  . ALA   B 83  ? 0.35953  0.421307 0.297805  0.00127652  0.0504599   -0.0657235  95  ALA   B HB1  
3056 H HB2  . ALA   B 83  ? 0.363639 0.405933 0.286922  -0.00402162 0.0615033   -0.0638303  95  ALA   B HB2  
3057 H HB3  . ALA   B 83  ? 0.364603 0.445053 0.315341  -0.00211854 0.0648071   -0.0651818  95  ALA   B HB3  
3058 N N    . THR   B 84  ? 0.333859 0.450179 0.271665  0.0416818   0.0751547   -0.0778451  96  THR   B N    
3059 C CA   . THR   B 84  ? 0.360737 0.443363 0.246514  -0.00383857 0.0770387   -0.0410152  96  THR   B CA   
3060 C C    . THR   B 84  ? 0.414744 0.416888 0.251589  0.0529778   0.0646132   -0.0487892  96  THR   B C    
3061 O O    . THR   B 84  ? 0.438694 0.487846 0.245834  0.038743    0.0806337   -0.047465   96  THR   B O    
3062 C CB   . THR   B 84  ? 0.376268 0.413813 0.269163  -0.00756426 0.0768264   -0.0489787  96  THR   B CB   
3063 O OG1  . THR   B 84  ? 0.327931 0.370542 0.266719  -0.00843183 0.0643177   -0.0814035  96  THR   B OG1  
3064 C CG2  . THR   B 84  ? 0.384103 0.419423 0.278786  -0.0392209  0.0574784   -0.055492   96  THR   B CG2  
3065 H H    . THR   B 84  ? 0.3376   0.411169 0.267755  0.0235771   0.0669355   -0.0674987  96  THR   B H    
3066 H HA   . THR   B 84  ? 0.362748 0.454575 0.265777  0.00511129  0.0878202   -0.0450549  96  THR   B HA   
3067 H HB   . THR   B 84  ? 0.375202 0.424335 0.268208  -0.00958556 0.0787013   -0.057023   96  THR   B HB   
3068 H HG1  . THR   B 84  ? 0.253303 0.253303 0.253303  0           0           0           96  THR   B HG1  
3069 H HG21 . THR   B 84  ? 0.384949 0.405076 0.264658  -0.0356242  0.0627484   -0.0503677  96  THR   B HG21 
3070 H HG22 . THR   B 84  ? 0.372701 0.40605  0.277729  -0.0353136  0.0571612   -0.0502968  96  THR   B HG22 
3071 H HG23 . THR   B 84  ? 0.38507  0.43281  0.285193  -0.0371417  0.0692339   -0.0485484  96  THR   B HG23 
3072 N N    . MET   B 85  ? 0.419515 0.374475 0.29014   0.0462815   0.0640991   -0.0486848  97  MET   B N    
3073 C CA   . MET   B 85  ? 0.408793 0.407814 0.246331  0.0374818   0.0551735   -0.0581381  97  MET   B CA   
3074 C C    . MET   B 85  ? 0.444194 0.46096  0.266411  0.0608458   0.0729823   -0.0582875  97  MET   B C    
3075 O O    . MET   B 85  ? 0.370445 0.461994 0.311277  0.0679026   0.061165    -0.0712335  97  MET   B O    
3076 C CB   . MET   B 85  ? 0.41148  0.430903 0.253109  0.0475787   0.0598828   -0.0594291  97  MET   B CB   
3077 C CG   . MET   B 85  ? 0.383141 0.415513 0.29359   0.0195694   0.0594954   -0.0592229  97  MET   B CG   
3078 S SD   . MET   B 85  ? 0.406219 0.378695 0.288368  0.0097928   0.0476162   -0.0773585  97  MET   B SD   
3079 C CE   . MET   B 85  ? 0.389139 0.351007 0.311896  0.0538844   0.0723565   -0.0423099  97  MET   B CE   
3080 H H    . MET   B 85  ? 0.402614 0.388136 0.285404  0.0424949   0.0583087   -0.0440769  97  MET   B H    
3081 H HA   . MET   B 85  ? 0.421815 0.411476 0.243401  0.0432636   0.0586647   -0.0625074  97  MET   B HA   
3082 H HB2  . MET   B 85  ? 0.401519 0.426229 0.269688  0.045141    0.0534172   -0.0558469  97  MET   B HB2  
3083 H HB3  . MET   B 85  ? 0.422041 0.425635 0.272891  0.0518552   0.0574038   -0.0639553  97  MET   B HB3  
3084 H HG2  . MET   B 85  ? 0.39701  0.409116 0.276959  0.018701    0.0623749   -0.066159   97  MET   B HG2  
3085 H HG3  . MET   B 85  ? 0.379131 0.412127 0.272508  0.0146859   0.057989    -0.0554105  97  MET   B HG3  
3086 H HE1  . MET   B 85  ? 0.405012 0.343731 0.313527  0.0433412   0.0656322   -0.0487783  97  MET   B HE1  
3087 H HE2  . MET   B 85  ? 0.399817 0.371311 0.321138  0.0599087   0.07089     -0.0552717  97  MET   B HE2  
3088 H HE3  . MET   B 85  ? 0.401259 0.358758 0.306658  0.0429123   0.069245    -0.0577372  97  MET   B HE3  
3089 N N    . LYS   B 86  ? 0.453682 0.473986 0.290384  0.0572818   0.0480056   -0.0939074  98  LYS   B N    
3090 C CA   . LYS   B 86  ? 0.494821 0.49426  0.303739  0.0793341   0.0631093   -0.134556   98  LYS   B CA   
3091 C C    . LYS   B 86  ? 0.49949  0.49153  0.335263  0.102428    0.0476069   -0.138279   98  LYS   B C    
3092 O O    . LYS   B 86  ? 0.521711 0.49082  0.295508  0.134284    0.0897294   -0.113987   98  LYS   B O    
3093 C CB   . LYS   B 86  ? 0.557954 0.56842  0.325772  0.0715389   0.100306    -0.158404   98  LYS   B CB   
3094 C CG   . LYS   B 86  ? 0.621689 0.590952 0.305131  0.0713392   0.11389     -0.138622   98  LYS   B CG   
3095 C CD   . LYS   B 86  ? 0.660201 0.632073 0.399817  0.0207727   0.0956647   -0.12063    98  LYS   B CD   
3096 C CE   . LYS   B 86  ? 0.699493 0.673014 0.469295  -0.0226357  0.132555    -0.105222   98  LYS   B CE   
3097 N NZ   . LYS   B 86  ? 0.703466 0.669429 0.490047  -0.0254779  0.131258    -0.1342     98  LYS   B NZ   
3098 H H    . LYS   B 86  ? 0.462586 0.456041 0.275279  0.0573958   0.0525697   -0.0997232  98  LYS   B H    
3099 H HA   . LYS   B 86  ? 0.482143 0.524504 0.32141   0.0778116   0.0665685   -0.125186   98  LYS   B HA   
3100 H HB2  . LYS   B 86  ? 0.567506 0.536066 0.30619   0.0713343   0.0904883   -0.154678   98  LYS   B HB2  
3101 H HB3  . LYS   B 86  ? 0.579323 0.572508 0.334399  0.0906765   0.0956159   -0.156663   98  LYS   B HB3  
3102 H HG2  . LYS   B 86  ? 0.625191 0.622629 0.330146  0.0782256   0.1253      -0.152362   98  LYS   B HG2  
3103 H HG3  . LYS   B 86  ? 0.599061 0.615018 0.342175  0.0644982   0.113336    -0.134994   98  LYS   B HG3  
3104 H HD2  . LYS   B 86  ? 0.639736 0.594955 0.379098  0.0085685   0.0903055   -0.110849   98  LYS   B HD2  
3105 H HD3  . LYS   B 86  ? 0.667638 0.610358 0.372925  0.0228639   0.104903    -0.125714   98  LYS   B HD3  
3106 H HE2  . LYS   B 86  ? 0.682465 0.677623 0.473916  -0.0142943  0.129941    -0.109895   98  LYS   B HE2  
3107 H HE3  . LYS   B 86  ? 0.676017 0.656024 0.446631  -0.0341933  0.122703    -0.104955   98  LYS   B HE3  
3108 H HZ1  . LYS   B 86  ? 0.717966 0.687573 0.495063  -0.00452186 0.137573    -0.133675   98  LYS   B HZ1  
3109 H HZ2  . LYS   B 86  ? 0.713242 0.667057 0.471525  -0.0238859  0.1337      -0.128181   98  LYS   B HZ2  
3110 H HZ3  . LYS   B 86  ? 0.703754 0.699399 0.493585  -0.0263355  0.146151    -0.120141   98  LYS   B HZ3  
3111 N N    . LYS   B 87  ? 0.493343 0.532153 0.360987  0.104163    0.04431     -0.137575   99  LYS   B N    
3112 C CA   . LYS   B 87  ? 0.50833  0.523061 0.416367  0.138245    0.0192805   -0.143084   99  LYS   B CA   
3113 C C    . LYS   B 87  ? 0.508599 0.491829 0.3899    0.154279    0.0595123   -0.162734   99  LYS   B C    
3114 O O    . LYS   B 87  ? 0.561333 0.607333 0.357159  0.0871909   0.0444247   -0.171544   99  LYS   B O    
3115 C CB   . LYS   B 87  ? 0.521716 0.599303 0.512455  0.1606      -0.00426643 -0.131479   99  LYS   B CB   
3116 C CG   . LYS   B 87  ? 0.581675 0.610854 0.580407  0.184437    -0.0144612  -0.119529   99  LYS   B CG   
3117 C CD   . LYS   B 87  ? 0.611752 0.663191 0.637397  0.226218    -0.0322218  -0.118204   99  LYS   B CD   
3118 C CE   . LYS   B 87  ? 0.665393 0.684365 0.659081  0.237387    -0.0487306  -0.127081   99  LYS   B CE   
3119 N NZ   . LYS   B 87  ? 0.691266 0.745663 0.687836  0.262549    -0.055649   -0.139063   99  LYS   B NZ   
3120 H H    . LYS   B 87  ? 0.485342 0.553127 0.378171  0.114577    0.0481247   -0.136928   99  LYS   B H    
3121 H HA   . LYS   B 87  ? 0.497053 0.505116 0.410016  0.128537    0.0170237   -0.134572   99  LYS   B HA   
3122 H HB2  . LYS   B 87  ? 0.506547 0.60282  0.505062  0.157031    -0.00049665 -0.125044   99  LYS   B HB2  
3123 H HB3  . LYS   B 87  ? 0.535611 0.614681 0.517503  0.169745    0.00844616  -0.137727   99  LYS   B HB3  
3124 H HG2  . LYS   B 87  ? 0.601586 0.602341 0.578763  0.193169    -0.0138467  -0.128431   99  LYS   B HG2  
3125 H HG3  . LYS   B 87  ? 0.572826 0.586633 0.566955  0.178439    -0.0259702  -0.115361   99  LYS   B HG3  
3126 H HD2  . LYS   B 87  ? 0.588684 0.680812 0.631084  0.215496    -0.0311692  -0.113573   99  LYS   B HD2  
3127 H HD3  . LYS   B 87  ? 0.622864 0.691194 0.646029  0.231967    -0.0216499  -0.127462   99  LYS   B HD3  
3128 H HE2  . LYS   B 87  ? 0.683139 0.66125  0.656864  0.237764    -0.0475573  -0.130661   99  LYS   B HE2  
3129 H HE3  . LYS   B 87  ? 0.649713 0.667344 0.65015   0.229429    -0.0565362  -0.117732   99  LYS   B HE3  
3130 H HZ1  . LYS   B 87  ? 0.702103 0.754408 0.698371  0.274199    -0.0442263  -0.144863   99  LYS   B HZ1  
3131 H HZ2  . LYS   B 87  ? 0.66888  0.762039 0.693617  0.264471    -0.0539932  -0.132437   99  LYS   B HZ2  
3132 H HZ3  . LYS   B 87  ? 0.71201  0.73662  0.703132  0.277414    -0.0585777  -0.135166   99  LYS   B HZ3  
3133 N N    . GLY   B 88  ? 0.567791 0.491982 0.378195  0.127969    0.032332    -0.122167   100 GLY   B N    
3134 C CA   . GLY   B 88  ? 0.545114 0.46385  0.395819  0.146544    0.0422425   -0.110929   100 GLY   B CA   
3135 C C    . GLY   B 88  ? 0.526491 0.448308 0.371033  0.116631    0.0288626   -0.117251   100 GLY   B C    
3136 O O    . GLY   B 88  ? 0.594212 0.408988 0.359843  0.0802462   0.0553307   -0.121359   100 GLY   B O    
3137 H H    . GLY   B 88  ? 0.533781 0.468821 0.380021  0.13354     0.0345036   -0.119457   100 GLY   B H    
3138 H HA2  . GLY   B 88  ? 0.575959 0.455781 0.405608  0.144929    0.0336112   -0.113636   100 GLY   B HA2  
3139 H HA3  . GLY   B 88  ? 0.574322 0.487704 0.403363  0.154045    0.0438481   -0.127006   100 GLY   B HA3  
3140 N N    . GLU   B 89  ? 0.489081 0.459469 0.344297  0.0872589   0.0223257   -0.12875    101 GLU   B N    
3141 C CA   . GLU   B 89  ? 0.481858 0.426251 0.30595   0.0722339   0.0309752   -0.134267   101 GLU   B CA   
3142 C C    . GLU   B 89  ? 0.448701 0.420725 0.330055  0.0585941   0.0277948   -0.110733   101 GLU   B C    
3143 O O    . GLU   B 89  ? 0.497738 0.427947 0.345017  0.0234661   -0.00345539 -0.0805508  101 GLU   B O    
3144 C CB   . GLU   B 89  ? 0.459178 0.436636 0.264771  0.0960794   0.0269599   -0.0925106  101 GLU   B CB   
3145 C CG   . GLU   B 89  ? 0.422307 0.443633 0.262288  0.0804258   0.0621592   -0.105265   101 GLU   B CG   
3146 C CD   . GLU   B 89  ? 0.402835 0.413696 0.244025  0.0604565   0.0389493   -0.101279   101 GLU   B CD   
3147 O OE1  . GLU   B 89  ? 0.407541 0.454157 0.282047  0.0578548   0.0527363   -0.123971   101 GLU   B OE1  
3148 O OE2  . GLU   B 89  ? 0.39295  0.407518 0.28338   0.0541466   0.0509997   -0.108209   101 GLU   B OE2  
3149 H H    . GLU   B 89  ? 0.473598 0.46049  0.339366  0.0942317   0.0280715   -0.120172   101 GLU   B H    
3150 H HA   . GLU   B 89  ? 0.493508 0.439769 0.308595  0.0782548   0.0272954   -0.136461   101 GLU   B HA   
3151 H HB2  . GLU   B 89  ? 0.458762 0.460065 0.281549  0.0981123   0.0413305   -0.106467   101 GLU   B HB2  
3152 H HB3  . GLU   B 89  ? 0.436557 0.431794 0.269533  0.0856985   0.0342796   -0.0961273  101 GLU   B HB3  
3153 H HG2  . GLU   B 89  ? 0.417232 0.411863 0.251612  0.0679173   0.0466047   -0.0998257  101 GLU   B HG2  
3154 H HG3  . GLU   B 89  ? 0.44556  0.439268 0.267947  0.0805315   0.0504224   -0.109987   101 GLU   B HG3  
3155 N N    . ILE   B 90  ? 0.465368 0.402634 0.336595  0.0477149   0.0387776   -0.127713   102 ILE   B N    
3156 C CA   . ILE   B 90  ? 0.46705  0.358895 0.382623  0.0480158   0.0407575   -0.103769   102 ILE   B CA   
3157 C C    . ILE   B 90  ? 0.471334 0.358909 0.36256   0.0543754   0.034123    -0.0968792  102 ILE   B C    
3158 O O    . ILE   B 90  ? 0.459107 0.340977 0.37557   0.0644943   -0.0218446  -0.0858371  102 ILE   B O    
3159 C CB   . ILE   B 90  ? 0.496632 0.342981 0.43557   0.0345133   0.0548029   -0.093931   102 ILE   B CB   
3160 C CG1  . ILE   B 90  ? 0.503114 0.347339 0.512462  0.0170152   0.0547      -0.0967365  102 ILE   B CG1  
3161 C CG2  . ILE   B 90  ? 0.467692 0.328351 0.450078  0.0368328   0.0384862   -0.079611   102 ILE   B CG2  
3162 C CD1  . ILE   B 90  ? 0.559413 0.308773 0.554401  0.0180281   0.0649676   -0.0746208  102 ILE   B CD1  
3163 H H    . ILE   B 90  ? 0.478255 0.409765 0.340481  0.0533032   0.0367605   -0.131976   102 ILE   B H    
3164 H HA   . ILE   B 90  ? 0.45901  0.355334 0.37717   0.0468413   0.0421218   -0.0932418  102 ILE   B HA   
3165 H HB   . ILE   B 90  ? 0.500297 0.354554 0.443553  0.0334136   0.046986    -0.106949   102 ILE   B HB   
3166 H HG12 . ILE   B 90  ? 0.503162 0.33338  0.502562  0.0290397   0.0590751   -0.0792571  102 ILE   B HG12 
3167 H HG13 . ILE   B 90  ? 0.520205 0.353137 0.506644  0.0400451   0.060967    -0.0956311  102 ILE   B HG13 
3168 H HG21 . ILE   B 90  ? 0.496383 0.327583 0.464119  0.0253443   0.0395265   -0.0860025  102 ILE   B HG21 
3169 H HG22 . ILE   B 90  ? 0.463629 0.319684 0.44391   0.0319276   0.0439679   -0.0704612  102 ILE   B HG22 
3170 H HG23 . ILE   B 90  ? 0.454449 0.326792 0.43049   0.0252935   0.0401652   -0.0799659  102 ILE   B HG23 
3171 H HD11 . ILE   B 90  ? 0.563977 0.325117 0.556369  0.0114764   0.0595444   -0.0942127  102 ILE   B HD11 
3172 H HD12 . ILE   B 90  ? 0.577945 0.318745 0.568751  0.0302539   0.0618114   -0.0848007  102 ILE   B HD12 
3173 H HD13 . ILE   B 90  ? 0.549757 0.307232 0.552396  0.00387565  0.0589717   -0.0760215  102 ILE   B HD13 
3174 N N    . ALA   B 91  ? 0.407455 0.354486 0.264277  0.0417579   0.077234    -0.0762062  103 ALA   B N    
3175 C CA   . ALA   B 91  ? 0.415585 0.359035 0.282955  0.0146917   0.0555443   -0.0707751  103 ALA   B CA   
3176 C C    . ALA   B 91  ? 0.401944 0.325497 0.306762  0.00383812  0.0459593   -0.0748749  103 ALA   B C    
3177 O O    . ALA   B 91  ? 0.437824 0.303251 0.295281  0.0297847   0.0182843   -0.0571383  103 ALA   B O    
3178 C CB   . ALA   B 91  ? 0.413132 0.369207 0.324783  0.0254895   0.0365157   -0.0345035  103 ALA   B CB   
3179 H H    . ALA   B 91  ? 0.418534 0.346431 0.282384  0.0407282   0.0591288   -0.0688103  103 ALA   B H    
3180 H HA   . ALA   B 91  ? 0.418957 0.363693 0.286603  0.0201106   0.0523495   -0.0761431  103 ALA   B HA   
3181 H HB1  . ALA   B 91  ? 0.420033 0.379076 0.316406  0.0299004   0.0430177   -0.0464419  103 ALA   B HB1  
3182 H HB2  . ALA   B 91  ? 0.402796 0.359909 0.31596   0.0237258   0.0445349   -0.0370476  103 ALA   B HB2  
3183 H HB3  . ALA   B 91  ? 0.398098 0.364446 0.297732  0.0179837   0.0426706   -0.0402361  103 ALA   B HB3  
3184 N N    . HIS   B 92  ? 0.378529 0.320793 0.273786  0.0129702   0.0254554   -0.0844267  104 HIS   B N    
3185 C CA   . HIS   B 92  ? 0.357256 0.321491 0.286445  -0.0177442  0.0187895   -0.06481    104 HIS   B CA   
3186 C C    . HIS   B 92  ? 0.351206 0.332661 0.289959  -0.03137    0.0172144   -0.055939   104 HIS   B C    
3187 O O    . HIS   B 92  ? 0.372014 0.323989 0.262492  -0.0153315  0.0140839   -0.0613899  104 HIS   B O    
3188 C CB   . HIS   B 92  ? 0.358027 0.356303 0.298857  -0.0362805  0.0041993   -0.110867   104 HIS   B CB   
3189 C CG   . HIS   B 92  ? 0.405547 0.356121 0.332031  -0.0436026  -0.00528456 -0.101503   104 HIS   B CG   
3190 N ND1  . HIS   B 92  ? 0.421552 0.388019 0.317196  -0.0660601  -0.0156812  -0.108164   104 HIS   B ND1  
3191 C CD2  . HIS   B 92  ? 0.455497 0.325893 0.359833  -0.0288472  -0.0191041  -0.103664   104 HIS   B CD2  
3192 C CE1  . HIS   B 92  ? 0.444137 0.373842 0.379464  -0.0664778  -0.00956579 -0.127039   104 HIS   B CE1  
3193 N NE2  . HIS   B 92  ? 0.447249 0.363316 0.388628  -0.0445945  0.0143645   -0.108892   104 HIS   B NE2  
3194 H H    . HIS   B 92  ? 0.384012 0.334009 0.276055  0.00643966  0.0283879   -0.0840711  104 HIS   B H    
3195 H HA   . HIS   B 92  ? 0.364146 0.317864 0.290892  -0.0199023  0.0187263   -0.0666434  104 HIS   B HA   
3196 H HB2  . HIS   B 92  ? 0.368396 0.360109 0.299006  -0.0297867  0.00291746  -0.104842   104 HIS   B HB2  
3197 H HB3  . HIS   B 92  ? 0.352395 0.349569 0.296286  -0.0370907  0.00478958  -0.0939733  104 HIS   B HB3  
3198 H HD1  . HIS   B 92  ? 0.253303 0.253303 0.253303  0           0           0           104 HIS   B HD1  
3199 H HD2  . HIS   B 92  ? 0.437046 0.330182 0.352675  -0.0255404  -0.00218551 -0.0968389  104 HIS   B HD2  
3200 H HE1  . HIS   B 92  ? 0.458191 0.385765 0.391735  -0.0760533  -0.0132498  -0.129118   104 HIS   B HE1  
3201 H HE2  . HIS   B 92  ? 0.253303 0.253303 0.253303  0           0           0           104 HIS   B HE2  
3202 N N    . LEU   B 93  ? 0.382331 0.340956 0.258261  -0.0193782  0.0481246   -0.0295853  105 LEU   B N    
3203 C CA   . LEU   B 93  ? 0.358074 0.347481 0.186191  -0.0292077  0.0321026   -0.0248705  105 LEU   B CA   
3204 C C    . LEU   B 93  ? 0.354503 0.317557 0.255201  -0.0379392  0.0191031   -0.0456955  105 LEU   B C    
3205 O O    . LEU   B 93  ? 0.364407 0.333336 0.267328  -0.0404598  0.00471614  -0.0275184  105 LEU   B O    
3206 C CB   . LEU   B 93  ? 0.3514   0.296902 0.21635   -0.0107068  -0.00277269 -0.0209222  105 LEU   B CB   
3207 C CG   . LEU   B 93  ? 0.332549 0.321368 0.254519  -0.0171603  0.00672376  -0.0321538  105 LEU   B CG   
3208 C CD1  . LEU   B 93  ? 0.346232 0.356975 0.308455  -0.00381156 -0.0234458  0.00280037  105 LEU   B CD1  
3209 C CD2  . LEU   B 93  ? 0.32954  0.348928 0.28049   -0.0266503  0.0287434   -0.0136257  105 LEU   B CD2  
3210 H H    . LEU   B 93  ? 0.373167 0.33291  0.26043   -0.0273073  0.0370049   -0.0324381  105 LEU   B H    
3211 H HA   . LEU   B 93  ? 0.357591 0.332057 0.201695  -0.0240426  0.0280853   -0.0245258  105 LEU   B HA   
3212 H HB2  . LEU   B 93  ? 0.3492   0.305192 0.222712  -0.0179498  0.00752818  -0.0198931  105 LEU   B HB2  
3213 H HB3  . LEU   B 93  ? 0.340136 0.302927 0.207915  -0.0165643  0.00798968  -0.0203006  105 LEU   B HB3  
3214 H HG   . LEU   B 93  ? 0.348353 0.323396 0.271271  -0.0121258  0.00365252  -0.0267046  105 LEU   B HG   
3215 H HD11 . LEU   B 93  ? 0.345209 0.343395 0.299393  -0.00627138 -0.0169655  -0.00674589 105 LEU   B HD11 
3216 H HD12 . LEU   B 93  ? 0.346743 0.352732 0.296502  -0.00461864 -0.014625   -0.00835136 105 LEU   B HD12 
3217 H HD13 . LEU   B 93  ? 0.335395 0.350609 0.283713  -0.0109226  -0.0148903  -0.00254092 105 LEU   B HD13 
3218 H HD21 . LEU   B 93  ? 0.337989 0.349151 0.276961  -0.0222459  0.0256422   -0.0226096  105 LEU   B HD21 
3219 H HD22 . LEU   B 93  ? 0.325105 0.345159 0.26395   -0.026267   0.0234354   -0.0148699  105 LEU   B HD22 
3220 H HD23 . LEU   B 93  ? 0.331201 0.34989  0.275861  -0.0197303  0.0253975   -0.0202691  105 LEU   B HD23 
3221 N N    . LEU   B 94  ? 0.317238 0.357521 0.221583  0.00161733  0.0353612   -0.0163728  106 LEU   B N    
3222 C CA   . LEU   B 94  ? 0.321817 0.3654   0.244565  0.0069606   0.0339383   -0.0285973  106 LEU   B CA   
3223 C C    . LEU   B 94  ? 0.343131 0.341922 0.264952  -0.031144   0.0517101   -0.028569   106 LEU   B C    
3224 O O    . LEU   B 94  ? 0.351171 0.312627 0.197691  -0.0085285  0.0180857   -0.0345059  106 LEU   B O    
3225 C CB   . LEU   B 94  ? 0.306041 0.3559   0.277167  0.0126356   0.00824801  -0.0452328  106 LEU   B CB   
3226 C CG   . LEU   B 94  ? 0.318367 0.378208 0.261242  -0.00718006 0.0241497   -0.028446   106 LEU   B CG   
3227 C CD1  . LEU   B 94  ? 0.339232 0.405411 0.26956   -0.0494972  0.0256428   -0.0253707  106 LEU   B CD1  
3228 C CD2  . LEU   B 94  ? 0.356388 0.419119 0.238948  0.0148651   0.0359312   -0.045067   106 LEU   B CD2  
3229 H H    . LEU   B 94  ? 0.326507 0.349412 0.221365  -0.00535498 0.0336136   -0.024709   106 LEU   B H    
3230 H HA   . LEU   B 94  ? 0.322324 0.354119 0.259146  -0.00531149 0.0346463   -0.0267803  106 LEU   B HA   
3231 H HB2  . LEU   B 94  ? 0.319024 0.365238 0.276918  0.00173011  0.0136135   -0.0477567  106 LEU   B HB2  
3232 H HB3  . LEU   B 94  ? 0.315369 0.368405 0.261977  0.012291    0.0140711   -0.0437196  106 LEU   B HB3  
3233 H HG   . LEU   B 94  ? 0.321899 0.377865 0.250598  -0.00095947 0.0276884   -0.0271421  106 LEU   B HG   
3234 H HD11 . LEU   B 94  ? 0.335328 0.385394 0.270994  -0.039881   0.0307214   -0.0224044  106 LEU   B HD11 
3235 H HD12 . LEU   B 94  ? 0.336358 0.41043  0.279997  -0.0402837  0.0259582   -0.0226051  106 LEU   B HD12 
3236 H HD13 . LEU   B 94  ? 0.34037  0.404189 0.285219  -0.0457313  0.0227371   -0.0313509  106 LEU   B HD13 
3237 H HD21 . LEU   B 94  ? 0.347252 0.413924 0.238799  0.0169464   0.0285211   -0.041953   106 LEU   B HD21 
3238 H HD22 . LEU   B 94  ? 0.349634 0.421308 0.258511  0.00383475  0.0259236   -0.0482408  106 LEU   B HD22 
3239 H HD23 . LEU   B 94  ? 0.341759 0.424196 0.254924  0.0101578   0.0311873   -0.0390022  106 LEU   B HD23 
3240 N N    . ILE   B 95  ? 0.314188 0.325029 0.238041  -0.0330201  0.0643581   -0.00611963 107 ILE   B N    
3241 C CA   . ILE   B 95  ? 0.294732 0.308924 0.193363  0.00792394  0.0495658   0.027226    107 ILE   B CA   
3242 C C    . ILE   B 95  ? 0.340626 0.326985 0.204687  -0.00312319 0.0322982   -0.0181531  107 ILE   B C    
3243 O O    . ILE   B 95  ? 0.355449 0.340263 0.276882  -0.00163523 0.0533114   -0.00040061 107 ILE   B O    
3244 C CB   . ILE   B 95  ? 0.286213 0.299014 0.235744  0.00156466  0.0343693   0.0114769   107 ILE   B CB   
3245 C CG1  . ILE   B 95  ? 0.322337 0.302295 0.209953  0.00524498  0.00157981  -0.0299757  107 ILE   B CG1  
3246 C CG2  . ILE   B 95  ? 0.344968 0.309098 0.224748  -0.0126315  0.0492951   0.00698367  107 ILE   B CG2  
3247 C CD1  . ILE   B 95  ? 0.329653 0.296699 0.260938  0.0337068   0.0463864   -0.0184328  107 ILE   B CD1  
3248 H H    . ILE   B 95  ? 0.311575 0.328837 0.241914  -0.0281412  0.0612977   -0.00034983 107 ILE   B H    
3249 H HA   . ILE   B 95  ? 0.302775 0.306268 0.201009  -0.00556593 0.0491037   0.0125007   107 ILE   B HA   
3250 H HB   . ILE   B 95  ? 0.305379 0.304296 0.226523  -0.00140232 0.03746     0.0100321   107 ILE   B HB   
3251 H HG12 . ILE   B 95  ? 0.316559 0.301231 0.220213  0.012203    0.0149405   -0.0231712  107 ILE   B HG12 
3252 H HG13 . ILE   B 95  ? 0.312302 0.299947 0.219993  0.00439588  0.012393    -0.0295842  107 ILE   B HG13 
3253 H HG21 . ILE   B 95  ? 0.333907 0.304527 0.230888  -0.0104526  0.0466083   0.0072868   107 ILE   B HG21 
3254 H HG22 . ILE   B 95  ? 0.329617 0.304746 0.22358   -0.00803367 0.043916    0.00726554  107 ILE   B HG22 
3255 H HG23 . ILE   B 95  ? 0.333962 0.308877 0.226871  -0.00609542 0.0450413   0.0114987   107 ILE   B HG23 
3256 H HD11 . ILE   B 95  ? 0.332614 0.299126 0.253717  0.0243592   0.0359858   -0.0190379  107 ILE   B HD11 
3257 H HD12 . ILE   B 95  ? 0.327495 0.295854 0.251133  0.028759    0.0353489   -0.0251252  107 ILE   B HD12 
3258 H HD13 . ILE   B 95  ? 0.331749 0.299246 0.249349  0.0299023   0.0369905   -0.0143836  107 ILE   B HD13 
3259 N N    . LYS   B 96  ? 0.331528 0.306627 0.187165  0.0235192   0.0429404   -0.00215356 108 LYS   B N    
3260 C CA   . LYS   B 96  ? 0.350985 0.30361  0.182612  0.0375526   0.0630334   0.00243858  108 LYS   B CA   
3261 C C    . LYS   B 96  ? 0.32084  0.30816  0.218116  0.0315571   0.0472072   0.00397879  108 LYS   B C    
3262 O O    . LYS   B 96  ? 0.335444 0.345847 0.146716  0.014938    0.050956    0.00112636  108 LYS   B O    
3263 C CB   . LYS   B 96  ? 0.3621   0.346659 0.244468  0.0215309   0.0467458   -0.00460928 108 LYS   B CB   
3264 C CG   . LYS   B 96  ? 0.38408  0.370855 0.249296  0.024302    0.0273257   -0.0181322  108 LYS   B CG   
3265 C CD   . LYS   B 96  ? 0.391706 0.401612 0.207549  -0.00170784 0.0554427   0.00775495  108 LYS   B CD   
3266 C CE   . LYS   B 96  ? 0.362745 0.48413  0.271587  0.0441507   0.0444931   0.060876    108 LYS   B CE   
3267 N NZ   . LYS   B 96  ? 0.408245 0.556632 0.353005  0.0660219   0.0703207   0.134193    108 LYS   B NZ   
3268 H H    . LYS   B 96  ? 0.337558 0.306031 0.186238  0.0183863   0.0436928   -0.00546057 108 LYS   B H    
3269 H HA   . LYS   B 96  ? 0.34283  0.326501 0.207673  0.0344482   0.0543828   0.00092447  108 LYS   B HA   
3270 H HB2  . LYS   B 96  ? 0.367379 0.32997  0.225572  0.0215793   0.0460608   -0.00484941 108 LYS   B HB2  
3271 H HB3  . LYS   B 96  ? 0.376673 0.345312 0.231734  0.0316483   0.0461957   -0.0008808  108 LYS   B HB3  
3272 H HG2  . LYS   B 96  ? 0.381239 0.387367 0.246949  0.0226337   0.0369976   -0.0105808  108 LYS   B HG2  
3273 H HG3  . LYS   B 96  ? 0.370522 0.371585 0.239361  0.0114681   0.036778    -0.0131826  108 LYS   B HG3  
3274 H HD2  . LYS   B 96  ? 0.388054 0.395654 0.224687  0.00872289  0.0490117   0.0147023   108 LYS   B HD2  
3275 H HD3  . LYS   B 96  ? 0.395933 0.40752  0.228992  0.0236974   0.050385    0.014036    108 LYS   B HD3  
3276 H HE2  . LYS   B 96  ? 0.368033 0.48862  0.272283  0.0399052   0.0499768   0.0600959   108 LYS   B HE2  
3277 H HE3  . LYS   B 96  ? 0.369379 0.473445 0.264425  0.0292483   0.0492486   0.0593442   108 LYS   B HE3  
3278 H HZ1  . LYS   B 96  ? 0.413234 0.534199 0.332945  0.0631577   0.0573483   0.116419    108 LYS   B HZ1  
3279 H HZ2  . LYS   B 96  ? 0.412017 0.516066 0.320934  0.0555697   0.0624101   0.110925    108 LYS   B HZ2  
3280 H HZ3  . LYS   B 96  ? 0.410226 0.540327 0.339075  0.0650006   0.0634538   0.110344    108 LYS   B HZ3  
3281 N N    . PRO   B 97  ? 0.336881 0.335446 0.176841  0.049359    0.0348994   -0.00136592 109 PRO   B N    
3282 C CA   . PRO   B 97  ? 0.354972 0.365492 0.14745   0.0290224   0.0621265   -0.0108691  109 PRO   B CA   
3283 C C    . PRO   B 97  ? 0.355731 0.33939  0.185578  0.0526728   0.0942409   -0.0312423  109 PRO   B C    
3284 O O    . PRO   B 97  ? 0.365558 0.342157 0.171821  0.0179324   0.0492643   -0.00109193 109 PRO   B O    
3285 C CB   . PRO   B 97  ? 0.367866 0.372064 0.193211  0.0266181   0.0716002   -0.0128036  109 PRO   B CB   
3286 C CG   . PRO   B 97  ? 0.376787 0.383965 0.218546  0.0569977   0.0509884   -0.0294828  109 PRO   B CG   
3287 C CD   . PRO   B 97  ? 0.37129  0.372515 0.181654  0.0502051   0.0420916   0.0130834   109 PRO   B CD   
3288 H HA   . PRO   B 97  ? 0.346571 0.356477 0.170204  0.0299043   0.065752    -0.0122643  109 PRO   B HA   
3289 H HB2  . PRO   B 97  ? 0.384395 0.373182 0.185541  0.0415079   0.0657665   -0.0168211  109 PRO   B HB2  
3290 H HB3  . PRO   B 97  ? 0.369543 0.379037 0.189989  0.0337055   0.07142     -0.0108224  109 PRO   B HB3  
3291 H HG2  . PRO   B 97  ? 0.387113 0.386769 0.206323  0.0605802   0.0538608   -0.016809   109 PRO   B HG2  
3292 H HG3  . PRO   B 97  ? 0.3767   0.399157 0.215079  0.0555721   0.0582167   -0.0141829  109 PRO   B HG3  
3293 H HD2  . PRO   B 97  ? 0.363504 0.365853 0.184938  0.0563628   0.038326    0.00435452  109 PRO   B HD2  
3294 H HD3  . PRO   B 97  ? 0.35243  0.37654  0.196198  0.0481957   0.0433377   0.00245057  109 PRO   B HD3  
3295 N N    . GLU   B 98  ? 0.398308 0.311088 0.200096  0.0403637   0.0878188   -0.037836   110 GLU   B N    
3296 C CA   . GLU   B 98  ? 0.42482  0.308933 0.242584  0.00641754  0.0312634   -0.0579097  110 GLU   B CA   
3297 C C    . GLU   B 98  ? 0.384678 0.324329 0.199883  -0.00990293 0.0366984   -0.0192634  110 GLU   B C    
3298 O O    . GLU   B 98  ? 0.364112 0.347827 0.240695  0.00198261  0.0336475   -0.0582651  110 GLU   B O    
3299 C CB   . GLU   B 98  ? 0.431318 0.333962 0.288628  -0.00108036 0.0246968   -0.0168052  110 GLU   B CB   
3300 C CG   . GLU   B 98  ? 0.463997 0.427399 0.333235  -0.00464505 0.0649656   -0.029405   110 GLU   B CG   
3301 C CD   . GLU   B 98  ? 0.448803 0.427901 0.352521  0.0467781   0.0377167   -0.0209403  110 GLU   B CD   
3302 O OE1  . GLU   B 98  ? 0.426526 0.360768 0.241408  0.0338111   0.0612944   -0.00257701 110 GLU   B OE1  
3303 O OE2  . GLU   B 98  ? 0.481198 0.524118 0.374012  0.0955022   0.0221386   -0.0736896  110 GLU   B OE2  
3304 H H    . GLU   B 98  ? 0.390973 0.322065 0.210559  0.0397107   0.0796472   -0.0390268  110 GLU   B H    
3305 H HA   . GLU   B 98  ? 0.428712 0.319044 0.231715  0.0147615   0.0425545   -0.0425644  110 GLU   B HA   
3306 H HB2  . GLU   B 98  ? 0.424209 0.342559 0.289356  -0.00522634 0.0348838   -0.025272   110 GLU   B HB2  
3307 H HB3  . GLU   B 98  ? 0.443165 0.337836 0.289558  -0.0100207  0.0308832   -0.0308601  110 GLU   B HB3  
3308 H HG2  . GLU   B 98  ? 0.473202 0.402659 0.333053  0.00980726  0.0460807   -0.0272758  110 GLU   B HG2  
3309 H HG3  . GLU   B 98  ? 0.471659 0.404458 0.331263  0.0133443   0.0474732   -0.0272457  110 GLU   B HG3  
3310 N N    . TYR   B 99  ? 0.369152 0.32774  0.218601  0.00377284  0.0258694   -0.0280953  111 TYR   B N    
3311 C CA   . TYR   B 99  ? 0.370896 0.325315 0.160748  -0.0063538  0.0555149   -0.0556478  111 TYR   B CA   
3312 C C    . TYR   B 99  ? 0.319941 0.348367 0.21843   -0.0002895  0.0415431   -0.0144106  111 TYR   B C    
3313 O O    . TYR   B 99  ? 0.322223 0.377586 0.176444  0.0112494   0.0634412   0.0105647   111 TYR   B O    
3314 C CB   . TYR   B 99  ? 0.410708 0.329614 0.146917  -0.00111385 0.091483    -0.0230937  111 TYR   B CB   
3315 C CG   . TYR   B 99  ? 0.374215 0.317181 0.214164  -0.0184578  0.033342    -0.014779   111 TYR   B CG   
3316 C CD1  . TYR   B 99  ? 0.350347 0.358084 0.188577  0.00441547  0.0583954   -0.0235476  111 TYR   B CD1  
3317 C CD2  . TYR   B 99  ? 0.369767 0.342137 0.195475  -0.0101912  0.0348045   -0.0188493  111 TYR   B CD2  
3318 C CE1  . TYR   B 99  ? 0.385454 0.329321 0.187616  -0.0097737  0.0414867   -0.0208671  111 TYR   B CE1  
3319 C CE2  . TYR   B 99  ? 0.365675 0.330913 0.202188  -0.0135688  0.0458607   -0.030753   111 TYR   B CE2  
3320 C CZ   . TYR   B 99  ? 0.367823 0.317361 0.21191   -0.0199973  0.040925    -0.0161249  111 TYR   B CZ   
3321 O OH   . TYR   B 99  ? 0.41674  0.350354 0.210608  -0.0647938  0.0697733   0.0152345   111 TYR   B OH   
3322 H H    . TYR   B 99  ? 0.364087 0.32767  0.198617  0.00204763  0.0393402   -0.0306638  111 TYR   B H    
3323 H HA   . TYR   B 99  ? 0.37341  0.329448 0.183877  -0.00920914 0.047823    -0.0403766  111 TYR   B HA   
3324 H HB2  . TYR   B 99  ? 0.391041 0.328335 0.166943  0.00138748  0.0767282   -0.0252916  111 TYR   B HB2  
3325 H HB3  . TYR   B 99  ? 0.384182 0.328726 0.170582  -0.0107903  0.0692844   -0.0287317  111 TYR   B HB3  
3326 H HD1  . TYR   B 99  ? 0.354474 0.341975 0.189415  0.00241843  0.0503011   -0.0203073  111 TYR   B HD1  
3327 H HD2  . TYR   B 99  ? 0.360781 0.336446 0.205661  -0.0163829  0.0342414   -0.0228115  111 TYR   B HD2  
3328 H HE1  . TYR   B 99  ? 0.38533  0.334984 0.192462  -0.00163378 0.047241    -0.0181584  111 TYR   B HE1  
3329 H HE2  . TYR   B 99  ? 0.372278 0.33625  0.214639  -0.02564    0.0423713   -0.0247022  111 TYR   B HE2  
3330 H HH   . TYR   B 99  ? 0.253303 0.253303 0.253303  0           0           0           111 TYR   B HH   
3331 N N    . ALA   B 100 ? 0.37813  0.339566 0.191962  0.0165559   0.0970216   0.00314276  112 ALA   B N    
3332 C CA   . ALA   B 100 ? 0.376256 0.335679 0.188619  0.00751976  0.0704009   -0.00056466 112 ALA   B CA   
3333 C C    . ALA   B 100 ? 0.353584 0.331734 0.220877  0.00034204  0.0541494   -0.0558422  112 ALA   B C    
3334 O O    . ALA   B 100 ? 0.377932 0.333579 0.247042  0.0150478   0.0754454   -0.0268484  112 ALA   B O    
3335 C CB   . ALA   B 100 ? 0.39046  0.358005 0.161772  -0.0084389  0.122684    -0.00419933 112 ALA   B CB   
3336 H H    . ALA   B 100 ? 0.369609 0.341624 0.195723  0.0150245   0.0785183   -0.00359246 112 ALA   B H    
3337 H HA   . ALA   B 100 ? 0.369055 0.336582 0.194522  0.00203311  0.0768396   -0.0111892  112 ALA   B HA   
3338 H HB1  . ALA   B 100 ? 0.375219 0.344905 0.16679   -0.00732161 0.110094    -0.00793808 112 ALA   B HB1  
3339 H HB2  . ALA   B 100 ? 0.387888 0.355981 0.169993  -0.00452491 0.112358    -0.00372083 112 ALA   B HB2  
3340 H HB3  . ALA   B 100 ? 0.388834 0.35325  0.173459  -0.00382977 0.111693    0.0014331   112 ALA   B HB3  
3341 N N    . TYR   B 101 ? 0.356926 0.313615 0.191657  0.0170141   0.0553887   -0.034482   113 TYR   B N    
3342 C CA   . TYR   B 101 ? 0.396807 0.327127 0.198683  0.0362449   0.0558168   -0.0153861  113 TYR   B CA   
3343 C C    . TYR   B 101 ? 0.386595 0.330602 0.230058  0.0375127   0.0364275   -0.011642   113 TYR   B C    
3344 O O    . TYR   B 101 ? 0.401021 0.361299 0.192717  0.0343319   0.0707273   0.00282409  113 TYR   B O    
3345 C CB   . TYR   B 101 ? 0.380396 0.324779 0.172109  0.0222225   0.0941787   0.0098532   113 TYR   B CB   
3346 C CG   . TYR   B 101 ? 0.381791 0.332621 0.222935  0.0373437   0.0526528   0.0311228   113 TYR   B CG   
3347 C CD1  . TYR   B 101 ? 0.38703  0.338246 0.20425   0.0238249   0.0484977   0.00576716  113 TYR   B CD1  
3348 C CD2  . TYR   B 101 ? 0.381282 0.306984 0.267926  -0.0204459  0.0535717   0.0304802   113 TYR   B CD2  
3349 C CE1  . TYR   B 101 ? 0.361516 0.314006 0.239627  0.033613    0.0292205   0.032733    113 TYR   B CE1  
3350 C CE2  . TYR   B 101 ? 0.384522 0.323407 0.224306  -0.00252154 0.0639786   0.0411063   113 TYR   B CE2  
3351 C CZ   . TYR   B 101 ? 0.358299 0.321425 0.265925  0.0239338   0.0581541   0.0373422   113 TYR   B CZ   
3352 O OH   . TYR   B 101 ? 0.380514 0.321678 0.282808  0.00502476  0.0427352   0.0706356   113 TYR   B OH   
3353 H H    . TYR   B 101 ? 0.351595 0.321116 0.200735  0.0143478   0.0600931   -0.0326258  113 TYR   B H    
3354 H HA   . TYR   B 101 ? 0.396169 0.323407 0.197253  0.0302327   0.0528212   -0.0169201  113 TYR   B HA   
3355 H HB2  . TYR   B 101 ? 0.37824  0.332499 0.191454  0.0282118   0.0864067   0.01185     113 TYR   B HB2  
3356 H HB3  . TYR   B 101 ? 0.401384 0.340236 0.175065  0.0370384   0.0847507   0.00791128  113 TYR   B HB3  
3357 H HD1  . TYR   B 101 ? 0.396949 0.335687 0.208694  0.0335476   0.0406204   0.00998018  113 TYR   B HD1  
3358 H HD2  . TYR   B 101 ? 0.371453 0.315205 0.251411  -0.00682546 0.0641252   0.0314414   113 TYR   B HD2  
3359 H HE1  . TYR   B 101 ? 0.376684 0.329574 0.234025  0.0346525   0.0281307   0.028491    113 TYR   B HE1  
3360 H HE2  . TYR   B 101 ? 0.368272 0.311679 0.251105  -0.00650962 0.0621129   0.0370585   113 TYR   B HE2  
3361 H HH   . TYR   B 101 ? 0.253303 0.253303 0.253303  0           0           0           113 TYR   B HH   
3362 N N    . GLY   B 102 ? 0.392183 0.319933 0.158475  0.0167949   0.0553612   -0.00725156 114 GLY   B N    
3363 C CA   . GLY   B 102 ? 0.399998 0.349385 0.190765  0.0287699   0.0409985   -0.0277298  114 GLY   B CA   
3364 C C    . GLY   B 102 ? 0.429276 0.366466 0.124073  0.0488229   0.0535839   -0.00082216 114 GLY   B C    
3365 O O    . GLY   B 102 ? 0.365889 0.365079 0.161674  0.0360793   0.0597725   -0.0393387  114 GLY   B O    
3366 H H    . GLY   B 102 ? 0.372276 0.317169 0.17114   0.0172374   0.0485493   -0.0172778  114 GLY   B H    
3367 H HA2  . GLY   B 102 ? 0.400588 0.339362 0.181643  0.0278599   0.0445055   -0.0257027  114 GLY   B HA2  
3368 H HA3  . GLY   B 102 ? 0.420104 0.341205 0.168198  0.0295008   0.0395834   -0.0236138  114 GLY   B HA3  
3369 N N    . SER   B 103 ? 0.423954 0.379914 0.168082  0.0698982   0.0736598   0.0105304   115 SER   B N    
3370 C CA   . SER   B 103 ? 0.45685  0.399863 0.168957  0.0766231   0.079133    -0.00942861 115 SER   B CA   
3371 C C    . SER   B 103 ? 0.453132 0.368668 0.166096  0.0900459   0.0883291   -0.00865788 115 SER   B C    
3372 O O    . SER   B 103 ? 0.440553 0.429752 0.149446  0.0885752   0.088698    -0.00400608 115 SER   B O    
3373 C CB   . SER   B 103 ? 0.504428 0.427791 0.264863  0.0883608   0.0535465   0.00805023  115 SER   B CB   
3374 O OG   . SER   B 103 ? 0.594571 0.419258 0.317794  0.0301505   0.0309252   -0.0128228  115 SER   B OG   
3375 H H    . SER   B 103 ? 0.446728 0.369282 0.156     0.0639143   0.0608271   -0.00330204 115 SER   B H    
3376 H HA   . SER   B 103 ? 0.436555 0.3993   0.187157  0.0784698   0.0794554   0.00138712  115 SER   B HA   
3377 H HB2  . SER   B 103 ? 0.521928 0.440239 0.256587  0.0897986   0.0653383   -0.00062293 115 SER   B HB2  
3378 H HB3  . SER   B 103 ? 0.505171 0.413656 0.255085  0.0764289   0.0543124   -0.00308508 115 SER   B HB3  
3379 H HG   . SER   B 103 ? 0.253303 0.253303 0.253303  0           0           0           115 SER   B HG   
3380 N N    . ALA   B 104 ? 0.454309 0.339731 0.175154  0.0670666   0.0959399   0.0279064   116 ALA   B N    
3381 C CA   . ALA   B 104 ? 0.465097 0.405166 0.16414   0.066987    0.0758447   0.0308758   116 ALA   B CA   
3382 C C    . ALA   B 104 ? 0.445633 0.387126 0.161331  0.0557708   0.0822321   0.0365933   116 ALA   B C    
3383 O O    . ALA   B 104 ? 0.477523 0.375163 0.199879  0.0388083   0.126327    0.0222985   116 ALA   B O    
3384 C CB   . ALA   B 104 ? 0.503191 0.435294 0.212155  0.0384011   0.042516    0.0303133   116 ALA   B CB   
3385 H H    . ALA   B 104 ? 0.447339 0.34102  0.165341  0.0616777   0.079829    0.0146731   116 ALA   B H    
3386 H HA   . ALA   B 104 ? 0.485026 0.4151   0.176865  0.0760473   0.0867573   0.029992    116 ALA   B HA   
3387 H HB1  . ALA   B 104 ? 0.515745 0.429435 0.19803   0.0524045   0.0434066   0.0205963   116 ALA   B HB1  
3388 H HB2  . ALA   B 104 ? 0.487205 0.410724 0.1979    0.033977    0.0365587   0.0292492   116 ALA   B HB2  
3389 H HB3  . ALA   B 104 ? 0.511867 0.439431 0.202965  0.0511614   0.0509008   0.0281821   116 ALA   B HB3  
3390 N N    . GLY   B 105 ? 0.42403  0.379604 0.188426  0.045212    0.106658    0.0332452   117 GLY   B N    
3391 C CA   . GLY   B 105 ? 0.407507 0.361543 0.140003  0.0498582   0.115707    0.0403653   117 GLY   B CA   
3392 C C    . GLY   B 105 ? 0.420714 0.378682 0.201725  0.0549863   0.124608    0.0334587   117 GLY   B C    
3393 O O    . GLY   B 105 ? 0.441856 0.345741 0.207185  0.0632757   0.0895403   0.0481697   117 GLY   B O    
3394 H H    . GLY   B 105 ? 0.412999 0.361887 0.171153  0.0468906   0.0922769   0.0254426   117 GLY   B H    
3395 H HA2  . GLY   B 105 ? 0.388616 0.353537 0.150691  0.0407536   0.11702     0.0328735   117 GLY   B HA2  
3396 H HA3  . GLY   B 105 ? 0.409462 0.383026 0.171391  0.0490825   0.128779    0.0432183   117 GLY   B HA3  
3397 N N    . SER   B 106 ? 0.41307  0.362551 0.218115  0.0674141   0.0970963   0.0359073   118 SER   B N    
3398 C CA   . SER   B 106 ? 0.419751 0.340552 0.270192  0.0542932   0.0882122   0.0324731   118 SER   B CA   
3399 C C    . SER   B 106 ? 0.470119 0.349775 0.251838  0.0499615   0.106941    0.0452732   118 SER   B C    
3400 O O    . SER   B 106 ? 0.448394 0.342613 0.283595  0.047375    0.0711602   0.0358742   118 SER   B O    
3401 C CB   . SER   B 106 ? 0.422913 0.313432 0.269913  0.0533689   0.101746    0.065113    118 SER   B CB   
3402 O OG   . SER   B 106 ? 0.427698 0.350022 0.295984  0.0542476   0.0730991   0.0498771   118 SER   B OG   
3403 H H    . SER   B 106 ? 0.401871 0.362006 0.235468  0.0535473   0.110365    0.0388272   118 SER   B H    
3404 H HA   . SER   B 106 ? 0.450106 0.352384 0.247714  0.066129    0.0915609   0.0370969   118 SER   B HA   
3405 H HB2  . SER   B 106 ? 0.40148  0.305963 0.266503  0.046319    0.0852275   0.0486011   118 SER   B HB2  
3406 H HB3  . SER   B 106 ? 0.402234 0.315678 0.283692  0.0437072   0.0949792   0.0586167   118 SER   B HB3  
3407 H HG   . SER   B 106 ? 0.253303 0.253303 0.253303  0           0           0           118 SER   B HG   
3408 N N    . LEU   B 107 ? 0.472238 0.351129 0.283568  0.0412453   0.128772    0.0663397   119 LEU   B N    
3409 C CA   . LEU   B 107 ? 0.516091 0.363005 0.311463  0.0359877   0.137355    0.0817542   119 LEU   B CA   
3410 C C    . LEU   B 107 ? 0.556593 0.366722 0.313302  0.0439092   0.139095    0.0787959   119 LEU   B C    
3411 O O    . LEU   B 107 ? 0.567001 0.352105 0.285885  0.0665742   0.147136    0.0630679   119 LEU   B O    
3412 C CB   . LEU   B 107 ? 0.523605 0.400195 0.303817  0.0448349   0.168689    0.0812126   119 LEU   B CB   
3413 C CG   . LEU   B 107 ? 0.503747 0.411115 0.3161    0.0316984   0.150942    0.0877424   119 LEU   B CG   
3414 C CD1  . LEU   B 107 ? 0.508215 0.430065 0.332141  0.0522062   0.130706    0.0857391   119 LEU   B CD1  
3415 C CD2  . LEU   B 107 ? 0.506079 0.413979 0.365136  0.0180508   0.137901    0.0952976   119 LEU   B CD2  
3416 H H    . LEU   B 107 ? 0.489313 0.359899 0.272075  0.0534002   0.122633    0.0567165   119 LEU   B H    
3417 H HA   . LEU   B 107 ? 0.494592 0.359495 0.317217  0.0263597   0.145046    0.0799864   119 LEU   B HA   
3418 H HB2  . LEU   B 107 ? 0.543381 0.405754 0.297836  0.0537109   0.155807    0.0810037   119 LEU   B HB2  
3419 H HB3  . LEU   B 107 ? 0.5445   0.419106 0.321844  0.0391      0.173858    0.0972181   119 LEU   B HB3  
3420 H HG   . LEU   B 107 ? 0.488889 0.385508 0.307908  0.0366439   0.134067    0.0766437   119 LEU   B HG   
3421 H HD11 . LEU   B 107 ? 0.528962 0.43395  0.315078  0.0617547   0.133979    0.0808321   119 LEU   B HD11 
3422 H HD12 . LEU   B 107 ? 0.497545 0.436545 0.330562  0.0551433   0.140252    0.0831418   119 LEU   B HD12 
3423 H HD13 . LEU   B 107 ? 0.526934 0.456683 0.343782  0.0494574   0.152994    0.0967873   119 LEU   B HD13 
3424 H HD21 . LEU   B 107 ? 0.486306 0.390917 0.355013  0.0079386   0.130932    0.0925166   119 LEU   B HD21 
3425 H HD22 . LEU   B 107 ? 0.513979 0.433023 0.373152  0.0131858   0.154165    0.103673    119 LEU   B HD22 
3426 H HD23 . LEU   B 107 ? 0.487322 0.421914 0.361071  0.0187586   0.146039    0.0901259   119 LEU   B HD23 
3427 N N    . PRO   B 108 ? 0.604677 0.359215 0.321413  0.0291028   0.153378    0.107918    120 PRO   B N    
3428 C CA   . PRO   B 108 ? 0.579556 0.391113 0.331229  0.0103915   0.17687     0.0946803   120 PRO   B CA   
3429 C C    . PRO   B 108 ? 0.557566 0.385035 0.349663  7.601e-05   0.142917    0.0897726   120 PRO   B C    
3430 O O    . PRO   B 108 ? 0.521176 0.430152 0.396861  -0.00983812 0.14615     0.0436476   120 PRO   B O    
3431 C CB   . PRO   B 108 ? 0.629645 0.398733 0.387871  0.00994306  0.181417    0.124603    120 PRO   B CB   
3432 C CG   . PRO   B 108 ? 0.658234 0.408797 0.348429  0.0112888   0.162007    0.129832    120 PRO   B CG   
3433 C CD   . PRO   B 108 ? 0.654862 0.392529 0.30777   0.0370641   0.148951    0.116233    120 PRO   B CD   
3434 H HA   . PRO   B 108 ? 0.580864 0.401264 0.340449  0.0175      0.174735    0.0978128   120 PRO   B HA   
3435 H HB2  . PRO   B 108 ? 0.622297 0.408336 0.393261  -0.00642681 0.188441    0.126967    120 PRO   B HB2  
3436 H HB3  . PRO   B 108 ? 0.647562 0.433466 0.380748  0.0125853   0.192512    0.129881    120 PRO   B HB3  
3437 H HG2  . PRO   B 108 ? 0.648219 0.38456  0.360222  0.00605975  0.157999    0.129821    120 PRO   B HG2  
3438 H HG3  . PRO   B 108 ? 0.688537 0.42057  0.36238   0.0178793   0.174279    0.142937    120 PRO   B HG3  
3439 H HD2  . PRO   B 108 ? 0.646179 0.371792 0.310887  0.0346596   0.136217    0.113636    120 PRO   B HD2  
3440 H HD3  . PRO   B 108 ? 0.673861 0.406273 0.307641  0.0445065   0.152721    0.119628    120 PRO   B HD3  
3441 N N    A LYS   B 109 ? 0.557283 0.345662 0.316541  6.728e-05   0.142182    0.0796555   121 LYS   B N    
3442 N N    B LYS   B 109 ? 0.558279 0.360304 0.303265  -0.00198331 0.138752    0.0822782   121 LYS   B N    
3443 C CA   A LYS   B 109 ? 0.544592 0.348174 0.357108  -0.0141696  0.118226    0.0439229   121 LYS   B CA   
3444 C CA   B LYS   B 109 ? 0.549713 0.375226 0.339438  -0.019379   0.109847    0.0471676   121 LYS   B CA   
3445 C C    A LYS   B 109 ? 0.494281 0.363647 0.32233   -0.0178116  0.0946101   0.00535959  121 LYS   B C    
3446 C C    B LYS   B 109 ? 0.48913  0.368139 0.324306  -0.0248942  0.090663    0.0135502   121 LYS   B C    
3447 O O    A LYS   B 109 ? 0.593552 0.386544 0.270082  -0.0412646  0.0837582   -0.0336871  121 LYS   B O    
3448 O O    B LYS   B 109 ? 0.557916 0.376489 0.313771  -0.0606915  0.0734069   -0.0103843  121 LYS   B O    
3449 C CB   A LYS   B 109 ? 0.543454 0.339148 0.417736  -0.00494283 0.107395    0.074067    121 LYS   B CB   
3450 C CB   B LYS   B 109 ? 0.55559  0.391475 0.378375  -0.00593349 0.0902911   0.0776093   121 LYS   B CB   
3451 C CG   A LYS   B 109 ? 0.587893 0.338497 0.458433  -0.00490562 0.0968349   0.0920525   121 LYS   B CG   
3452 C CG   B LYS   B 109 ? 0.614289 0.424613 0.382203  -0.00614343 0.0646945   0.103803    121 LYS   B CG   
3453 C CD   A LYS   B 109 ? 0.586046 0.326651 0.486396  0.0100595   0.0666048   0.101756    121 LYS   B CD   
3454 C CD   B LYS   B 109 ? 0.60795  0.439959 0.382525  0.0136234   0.0227492   0.110562    121 LYS   B CD   
3455 C CE   A LYS   B 109 ? 0.635853 0.349816 0.535043  0.0258925   0.0778342   0.133399    121 LYS   B CE   
3456 C CE   B LYS   B 109 ? 0.664145 0.467802 0.391365  0.00908789  0.0145344   0.141292    121 LYS   B CE   
3457 N NZ   A LYS   B 109 ? 0.619956 0.316917 0.588543  0.00848888  0.094204    0.179387    121 LYS   B NZ   
3458 N NZ   B LYS   B 109 ? 0.695611 0.482669 0.341131  0.0221328   0.0121766   0.167228    121 LYS   B NZ   
3459 H H    A LYS   B 109 ? 0.566844 0.349336 0.318371  0.00955508  0.128504    0.0737793   121 LYS   B H    
3460 H H    B LYS   B 109 ? 0.56761  0.362779 0.307245  0.00747185  0.124836    0.0756697   121 LYS   B H    
3461 H HA   A LYS   B 109 ? 0.547848 0.359225 0.375928  -0.0233923  0.128245    0.0585367   121 LYS   B HA   
3462 H HA   B LYS   B 109 ? 0.551308 0.383184 0.360133  -0.0271586  0.120676    0.0625471   121 LYS   B HA   
3463 H HB2  A LYS   B 109 ? 0.542992 0.331125 0.391194  0.00441902  0.094656    0.0622351   121 LYS   B HB2  
3464 H HB2  B LYS   B 109 ? 0.556539 0.384516 0.350315  0.00248571  0.077254    0.0675148   121 LYS   B HB2  
3465 H HB3  A LYS   B 109 ? 0.530416 0.320998 0.41636   -0.0138871  0.0978881   0.0630789   121 LYS   B HB3  
3466 H HB3  B LYS   B 109 ? 0.542889 0.37359  0.375543  -0.0156567  0.079804    0.0677562   121 LYS   B HB3  
3467 H HG2  A LYS   B 109 ? 0.592676 0.347367 0.479589  -0.0151379  0.106177    0.0997597   121 LYS   B HG2  
3468 H HG2  B LYS   B 109 ? 0.619158 0.433819 0.406284  -0.0132201  0.0762527   0.110393    121 LYS   B HG2  
3469 H HG3  A LYS   B 109 ? 0.602017 0.356523 0.455112  0.00496066  0.101558    0.0999322   121 LYS   B HG3  
3470 H HG3  B LYS   B 109 ? 0.626416 0.438705 0.379096  0.00721718  0.0674556   0.108189    121 LYS   B HG3  
3471 H HD2  A LYS   B 109 ? 0.581153 0.324052 0.468431  0.0191947   0.0617964   0.0964715   121 LYS   B HD2  
3472 H HD2  B LYS   B 109 ? 0.609269 0.434255 0.36483   0.0193092   0.018009    0.107224    121 LYS   B HD2  
3473 H HD3  A LYS   B 109 ? 0.573432 0.31343  0.489784  0.003611    0.0673878   0.0961926   121 LYS   B HD3  
3474 H HD3  B LYS   B 109 ? 0.591875 0.423584 0.381657  0.00176856  0.0234357   0.10348     121 LYS   B HD3  
3475 H HE2  A LYS   B 109 ? 0.646359 0.356705 0.533171  0.0274434   0.0850761   0.147726    121 LYS   B HE2  
3476 H HE2  B LYS   B 109 ? 0.655058 0.449573 0.390927  0.00716997  0.00932694  0.137561    121 LYS   B HE2  
3477 H HE3  A LYS   B 109 ? 0.636469 0.334036 0.529477  0.0315618   0.0676951   0.137847    121 LYS   B HE3  
3478 H HE3  B LYS   B 109 ? 0.674614 0.471576 0.4017    0.0004424   0.0287517   0.149135    121 LYS   B HE3  
3479 H HZ1  A LYS   B 109 ? 0.62101  0.333614 0.58871   0.0008064   0.101605    0.171864    121 LYS   B HZ1  
3480 H HZ1  B LYS   B 109 ? 0.683965 0.475158 0.343269  0.0314676   0.00038074  0.155003    121 LYS   B HZ1  
3481 H HZ2  A LYS   B 109 ? 0.612471 0.309798 0.584788  0.00540539  0.0843993   0.161492    121 LYS   B HZ2  
3482 H HZ2  B LYS   B 109 ? 0.701146 0.49444  0.349644  0.0261167   0.0183159   0.165639    121 LYS   B HZ2  
3483 H HZ3  A LYS   B 109 ? 0.656011 0.325616 0.592363  0.0137314   0.0938451   0.183115    121 LYS   B HZ3  
3484 H HZ3  B LYS   B 109 ? 0.719643 0.483841 0.370716  0.0241995   0.0152819   0.171682    121 LYS   B HZ3  
3485 N N    . ILE   B 110 ? 0.482677 0.368185 0.284484  -0.00114141 0.114243    -0.0181373  122 ILE   B N    
3486 C CA   . ILE   B 110 ? 0.455657 0.37797  0.304139  0.00616175  0.10566     -0.0133116  122 ILE   B CA   
3487 C C    . ILE   B 110 ? 0.439284 0.39066  0.279172  4.286e-05   0.114422    -0.00402569 122 ILE   B C    
3488 O O    . ILE   B 110 ? 0.475715 0.381239 0.252268  0.00921101  0.127579    0.00033725  122 ILE   B O    
3489 C CB   . ILE   B 110 ? 0.474894 0.385153 0.268341  0.0265708   0.12773     0.0412428   122 ILE   B CB   
3490 C CG1  . ILE   B 110 ? 0.537322 0.399924 0.293293  0.00765286  0.153932    0.00343902  122 ILE   B CG1  
3491 C CG2  . ILE   B 110 ? 0.451009 0.433416 0.216291  -0.00153442 0.156292    0.0101767   122 ILE   B CG2  
3492 C CD1  . ILE   B 110 ? 0.594046 0.496789 0.43458   -0.0127035  0.100415    -0.0210129  122 ILE   B CD1  
3493 H H    A ILE   B 110 ? 0.495044 0.372854 0.284048  0.00752388  0.10422     -0.0101845  122 ILE   B H    
3494 H H    B ILE   B 110 ? 0.494504 0.375751 0.283615  0.00572348  0.10407     -0.00850565 122 ILE   B H    
3495 H HA   . ILE   B 110 ? 0.446944 0.376665 0.299921  -0.00608629 0.112521    -0.004466   122 ILE   B HA   
3496 H HB   . ILE   B 110 ? 0.485677 0.3989   0.263505  0.0268219   0.131851    0.0217336   122 ILE   B HB   
3497 H HG12 . ILE   B 110 ? 0.548711 0.415526 0.311263  0.0128014   0.137059    0.0163612   122 ILE   B HG12 
3498 H HG13 . ILE   B 110 ? 0.520726 0.397237 0.298435  0.010975    0.126205    0.00322225  122 ILE   B HG13 
3499 H HG21 . ILE   B 110 ? 0.43727  0.401187 0.221411  0.00374184  0.138507    0.0126478   122 ILE   B HG21 
3500 H HG22 . ILE   B 110 ? 0.441217 0.417955 0.240973  -0.00274294 0.147832    0.0170127   122 ILE   B HG22 
3501 H HG23 . ILE   B 110 ? 0.452906 0.428428 0.227681  0.00894983  0.147245    0.0164116   122 ILE   B HG23 
3502 H HD11 . ILE   B 110 ? 0.556069 0.458176 0.401931  -0.0147536  0.117122    -0.0293325  122 ILE   B HD11 
3503 H HD12 . ILE   B 110 ? 0.58324  0.457224 0.391751  -0.0181832  0.110965    -0.0122992  122 ILE   B HD12 
3504 H HD13 . ILE   B 110 ? 0.58928  0.47131  0.401592  -0.00921752 0.120333    -0.011118   122 ILE   B HD13 
3505 N N    . PRO   B 111 ? 0.44413  0.41428  0.228023  0.0044199   0.106598    0.021661    123 PRO   B N    
3506 C CA   . PRO   B 111 ? 0.451175 0.442228 0.190321  0.0151457   0.0998083   0.0200398   123 PRO   B CA   
3507 C C    . PRO   B 111 ? 0.416409 0.412897 0.183687  0.0488907   0.0740294   0.020878    123 PRO   B C    
3508 O O    . PRO   B 111 ? 0.437512 0.382719 0.209225  0.0292977   0.10704     0.0036498   123 PRO   B O    
3509 C CB   . PRO   B 111 ? 0.446513 0.484681 0.219009  0.0225231   0.0899741   0.0271447   123 PRO   B CB   
3510 C CG   . PRO   B 111 ? 0.459046 0.480249 0.273723  -0.00431061 0.0783501   -0.0165778  123 PRO   B CG   
3511 C CD   . PRO   B 111 ? 0.456039 0.444357 0.293446  -0.0174132  0.0838557   -0.00351464 123 PRO   B CD   
3512 H HA   . PRO   B 111 ? 0.464483 0.452236 0.19155   0.0298558   0.102304    0.0258682   123 PRO   B HA   
3513 H HB2  . PRO   B 111 ? 0.445321 0.488387 0.227517  0.0279984   0.0930648   0.0152852   123 PRO   B HB2  
3514 H HB3  . PRO   B 111 ? 0.46501  0.502853 0.238329  0.0165169   0.107563    0.0274892   123 PRO   B HB3  
3515 H HG2  . PRO   B 111 ? 0.435421 0.470907 0.272688  -0.00289909 0.0750096   -0.0138031  123 PRO   B HG2  
3516 H HG3  . PRO   B 111 ? 0.454494 0.495571 0.291506  -0.0115482  0.0904168   0.00122758  123 PRO   B HG3  
3517 H HD2  . PRO   B 111 ? 0.440186 0.421262 0.277176  -0.0171616  0.0728482   -0.00608237 123 PRO   B HD2  
3518 H HD3  . PRO   B 111 ? 0.461703 0.447806 0.290871  -0.0214179  0.0923224   0.00596838  123 PRO   B HD3  
3519 N N    . SER   B 112 ? 0.467517 0.382363 0.215448  0.0613089   0.0850277   0.0218802   124 SER   B N    
3520 C CA   . SER   B 112 ? 0.477741 0.392332 0.150391  0.0759376   0.0709941   0.00432554  124 SER   B CA   
3521 C C    . SER   B 112 ? 0.441763 0.428201 0.153913  0.0582145   0.0676915   0.0168751   124 SER   B C    
3522 O O    . SER   B 112 ? 0.406249 0.460437 0.188682  0.0448313   0.0802623   0.0235199   124 SER   B O    
3523 C CB   . SER   B 112 ? 0.457151 0.410849 0.174207  0.0911295   0.102527    0.00132595  124 SER   B CB   
3524 O OG   . SER   B 112 ? 0.423345 0.418722 0.166578  0.090269    0.0960274   0.00668549  124 SER   B OG   
3525 H H    . SER   B 112 ? 0.476109 0.420889 0.20759   0.0681069   0.0893773   0.0232672   124 SER   B H    
3526 H HA   . SER   B 112 ? 0.473987 0.377665 0.152712  0.0734393   0.0695605   0.00502596  124 SER   B HA   
3527 H HB2  . SER   B 112 ? 0.474566 0.424143 0.17173   0.0951141   0.102952    0.00670996  124 SER   B HB2  
3528 H HB3  . SER   B 112 ? 0.452303 0.438663 0.185121  0.0902492   0.107172    0.00922818  124 SER   B HB3  
3529 H HG   . SER   B 112 ? 0.253303 0.253303 0.253303  0           0           0           124 SER   B HG   
3530 N N    . ASN   B 113 ? 0.425073 0.379359 0.115974  0.0803754   0.0463251   0.00175642  125 ASN   B N    
3531 C CA   . ASN   B 113 ? 0.428497 0.416103 0.101054  0.051702    0.0360902   -0.00384038 125 ASN   B CA   
3532 C C    . ASN   B 113 ? 0.359273 0.386244 0.203524  0.0382433   0.046405    -0.0147774  125 ASN   B C    
3533 O O    . ASN   B 113 ? 0.407777 0.45645  0.20215   0.037385    0.0261166   0.0129609   125 ASN   B O    
3534 C CB   . ASN   B 113 ? 0.471609 0.434094 0.146162  0.051425    0.040214    0.00330395  125 ASN   B CB   
3535 C CG   . ASN   B 113 ? 0.512433 0.462032 0.203821  0.0646842   -0.00037469 0.00818114  125 ASN   B CG   
3536 O OD1  . ASN   B 113 ? 0.561371 0.444302 0.273874  0.00499465  -0.0777557  0.0574507   125 ASN   B OD1  
3537 N ND2  . ASN   B 113 ? 0.618497 0.504785 0.260004  0.135238    -0.0433732  -0.0435825  125 ASN   B ND2  
3538 H H    . ASN   B 113 ? 0.439374 0.382283 0.110092  0.0700491   0.0432049   0.00082878  125 ASN   B H    
3539 H HA   . ASN   B 113 ? 0.425051 0.384485 0.119454  0.0543423   0.0309357   -0.00760129 125 ASN   B HA   
3540 H HB2  . ASN   B 113 ? 0.463135 0.462388 0.161846  0.0561271   0.0407703   0.00703503  125 ASN   B HB2  
3541 H HB3  . ASN   B 113 ? 0.455389 0.439341 0.151051  0.0541281   0.0266824   0.0020135   125 ASN   B HB3  
3542 H HD21 . ASN   B 113 ? 0.607178 0.496643 0.242538  0.127542    -0.0247698  -0.0294591  125 ASN   B HD21 
3543 H HD22 . ASN   B 113 ? 0.588401 0.516994 0.254681  0.122833    -0.0167942  -0.0219349  125 ASN   B HD22 
3544 N N    . ALA   B 114 ? 0.389167 0.408852 0.177505  0.0248438   0.0533187   0.026592    126 ALA   B N    
3545 C CA   . ALA   B 114 ? 0.358382 0.418928 0.200977  0.0363171   0.0467214   0.00328149  126 ALA   B CA   
3546 C C    . ALA   B 114 ? 0.33259  0.43279  0.185101  -0.00080953 0.0531464   -0.00480583 126 ALA   B C    
3547 O O    . ALA   B 114 ? 0.350995 0.411522 0.190874  0.0178588   0.105681    -0.00154895 126 ALA   B O    
3548 C CB   . ALA   B 114 ? 0.405242 0.404163 0.1773    0.0290012   0.0910486   -0.0135584  126 ALA   B CB   
3549 H H    . ALA   B 114 ? 0.386324 0.395311 0.181939  0.0334585   0.0518133   0.0122888   126 ALA   B H    
3550 H HA   . ALA   B 114 ? 0.358434 0.437536 0.204716  0.0235158   0.0603181   0.00348346  126 ALA   B HA   
3551 H HB1  . ALA   B 114 ? 0.400662 0.422612 0.188853  0.0317688   0.092745    -0.00199987 126 ALA   B HB1  
3552 H HB2  . ALA   B 114 ? 0.402811 0.392839 0.175244  0.0321819   0.0787404   -0.00757532 126 ALA   B HB2  
3553 H HB3  . ALA   B 114 ? 0.388953 0.400937 0.193241  0.0192829   0.0800258   -0.00901387 126 ALA   B HB3  
3554 N N    . THR   B 115 ? 0.329729 0.410555 0.169257  0.0270056   0.0659869   -0.0325991  127 THR   B N    
3555 C CA   . THR   B 115 ? 0.297653 0.388531 0.202435  0.0153115   0.0659994   -0.0273706  127 THR   B CA   
3556 C C    . THR   B 115 ? 0.309461 0.383774 0.225095  -0.0205435  0.0355581   -0.0209383  127 THR   B C    
3557 O O    . THR   B 115 ? 0.332735 0.423306 0.237892  -0.0118356  0.0669015   0.00854918  127 THR   B O    
3558 C CB   . THR   B 115 ? 0.330304 0.417877 0.198038  0.0216401   0.0528224   -0.0409683  127 THR   B CB   
3559 O OG1  . THR   B 115 ? 0.375243 0.417004 0.252732  0.0259252   0.0679823   -0.030302   127 THR   B OG1  
3560 C CG2  . THR   B 115 ? 0.364931 0.402553 0.220317  -0.0139539  0.0739924   -0.0459103  127 THR   B CG2  
3561 H H    . THR   B 115 ? 0.327326 0.43305  0.196497  0.0182373   0.0672677   -0.0233586  127 THR   B H    
3562 H HA   . THR   B 115 ? 0.309208 0.377731 0.184261  0.0142644   0.0549566   -0.0301538  127 THR   B HA   
3563 H HB   . THR   B 115 ? 0.337928 0.430413 0.230385  0.0108111   0.0645147   -0.0361937  127 THR   B HB   
3564 H HG1  . THR   B 115 ? 0.253303 0.253303 0.253303  0           0           0           127 THR   B HG1  
3565 H HG21 . THR   B 115 ? 0.355853 0.418357 0.225056  -0.00465693 0.0662198   -0.0505954  127 THR   B HG21 
3566 H HG22 . THR   B 115 ? 0.352807 0.391052 0.202767  -0.0020851  0.0644244   -0.0466299  127 THR   B HG22 
3567 H HG23 . THR   B 115 ? 0.353546 0.402071 0.222657  -0.0135987  0.06599     -0.0472605  127 THR   B HG23 
3568 N N    . LEU   B 116 ? 0.333646 0.335579 0.22485   -0.0294604  0.0740358   0.0110452   128 LEU   B N    
3569 C CA   . LEU   B 116 ? 0.326445 0.317033 0.25547   -0.007177   0.0442899   -0.0297427  128 LEU   B CA   
3570 C C    . LEU   B 116 ? 0.32658  0.3207   0.28239   -0.00656503 0.0394377   -0.0156364  128 LEU   B C    
3571 O O    . LEU   B 116 ? 0.37624  0.302977 0.204882  -0.0221976  0.0401194   -0.0423845  128 LEU   B O    
3572 C CB   . LEU   B 116 ? 0.373424 0.302492 0.237822  0.0161144   0.0497959   -0.00123791 128 LEU   B CB   
3573 C CG   . LEU   B 116 ? 0.397952 0.402515 0.249004  0.00581891  0.0164694   -0.0259266  128 LEU   B CG   
3574 C CD1  . LEU   B 116 ? 0.4136   0.43385  0.214269  0.0189824   0.0332561   -0.0427837  128 LEU   B CD1  
3575 C CD2  . LEU   B 116 ? 0.446447 0.443813 0.291078  -0.0185667  0.0125945   0.0386164   128 LEU   B CD2  
3576 H H    . LEU   B 116 ? 0.314777 0.325737 0.214185  -0.0233771  0.0576621   -0.00447117 128 LEU   B H    
3577 H HA   . LEU   B 116 ? 0.344243 0.331741 0.268268  -0.0126686  0.0544473   -0.0102     128 LEU   B HA   
3578 H HB2  . LEU   B 116 ? 0.357488 0.311556 0.233547  0.0104514   0.0379893   -0.0159234  128 LEU   B HB2  
3579 H HB3  . LEU   B 116 ? 0.370813 0.307695 0.251791  0.00912867  0.0408251   -0.0115285  128 LEU   B HB3  
3580 H HG   . LEU   B 116 ? 0.39785  0.398546 0.235719  0.0114702   0.024011    -0.0151077  128 LEU   B HG   
3581 H HD11 . LEU   B 116 ? 0.404769 0.41538  0.216141  0.017507    0.0221437   -0.0422127  128 LEU   B HD11 
3582 H HD12 . LEU   B 116 ? 0.417895 0.4247   0.213511  0.0202985   0.0296751   -0.0367098  128 LEU   B HD12 
3583 H HD13 . LEU   B 116 ? 0.417482 0.425993 0.232724  0.0127772   0.0289943   -0.0355549  128 LEU   B HD13 
3584 H HD21 . LEU   B 116 ? 0.427003 0.443252 0.287407  -0.0135776  0.0201134   0.0172252   128 LEU   B HD21 
3585 H HD22 . LEU   B 116 ? 0.438237 0.439328 0.296662  -0.0178284  0.0192558   0.022313    128 LEU   B HD22 
3586 H HD23 . LEU   B 116 ? 0.439875 0.441173 0.290856  -0.00630139 0.0209344   0.0276394   128 LEU   B HD23 
3587 N N    . PHE   B 117 ? 0.338768 0.325515 0.285893  -0.0307792  0.0475475   0.0120611   129 PHE   B N    
3588 C CA   . PHE   B 117 ? 0.375213 0.320383 0.301958  -0.0446748  0.0515335   -0.0172745  129 PHE   B CA   
3589 C C    . PHE   B 117 ? 0.403617 0.292571 0.279967  -0.0307842  0.0577433   -0.0258307  129 PHE   B C    
3590 O O    . PHE   B 117 ? 0.436246 0.350514 0.266221  -0.0235485  0.06672     0.00663705  129 PHE   B O    
3591 C CB   . PHE   B 117 ? 0.404998 0.359444 0.329247  -0.0281224  0.0322362   -0.0392131  129 PHE   B CB   
3592 C CG   . PHE   B 117 ? 0.464416 0.34724  0.3681    -0.0285177  0.0373725   -0.0516801  129 PHE   B CG   
3593 C CD1  . PHE   B 117 ? 0.365665 0.32919  0.327633  -0.0290502  0.043549    -0.0576306  129 PHE   B CD1  
3594 C CD2  . PHE   B 117 ? 0.452323 0.299253 0.353233  -0.0344202  0.00818139  -0.0693353  129 PHE   B CD2  
3595 C CE1  . PHE   B 117 ? 0.403944 0.347969 0.337414  -0.0284749  0.0488763   -0.0792485  129 PHE   B CE1  
3596 C CE2  . PHE   B 117 ? 0.467475 0.337218 0.408247  -0.0150715  0.0456384   -0.0732358  129 PHE   B CE2  
3597 C CZ   . PHE   B 117 ? 0.458234 0.351068 0.353922  -0.0320703  0.0315645   -0.103633   129 PHE   B CZ   
3598 H H    . PHE   B 117 ? 0.350633 0.32554  0.295891  -0.0347107  0.0549355   0.00879578  129 PHE   B H    
3599 H HA   . PHE   B 117 ? 0.367746 0.317768 0.281762  -0.0311069  0.0448569   -0.02048    129 PHE   B HA   
3600 H HB2  . PHE   B 117 ? 0.39931  0.360052 0.329798  -0.0318676  0.0355819   -0.0370246  129 PHE   B HB2  
3601 H HB3  . PHE   B 117 ? 0.416836 0.357256 0.349907  -0.0389849  0.0410349   -0.0323302  129 PHE   B HB3  
3602 H HD1  . PHE   B 117 ? 0.378244 0.335171 0.320485  -0.0218835  0.0415517   -0.0588199  129 PHE   B HD1  
3603 H HD2  . PHE   B 117 ? 0.463088 0.313371 0.371334  -0.03306    0.0304962   -0.0545491  129 PHE   B HD2  
3604 H HE1  . PHE   B 117 ? 0.406282 0.350727 0.329359  -0.0246096  0.0383147   -0.0871224  129 PHE   B HE1  
3605 H HE2  . PHE   B 117 ? 0.484407 0.327829 0.402154  -0.0295441  0.034781    -0.0801624  129 PHE   B HE2  
3606 H HZ   . PHE   B 117 ? 0.462848 0.346492 0.369254  -0.0272485  0.0349982   -0.104772   129 PHE   B HZ   
3607 N N    . PHE   B 118 ? 0.42391  0.316826 0.250022  -0.00749082 0.0240463   -0.00686702 130 PHE   B N    
3608 C CA   . PHE   B 118 ? 0.428424 0.286959 0.238128  -0.00331732 0.0756895   -0.0368685  130 PHE   B CA   
3609 C C    . PHE   B 118 ? 0.460338 0.299238 0.270139  0.0115921   0.0678491   -0.0555214  130 PHE   B C    
3610 O O    . PHE   B 118 ? 0.458283 0.298383 0.289931  -0.0273921  0.0115437   -0.00361604 130 PHE   B O    
3611 C CB   . PHE   B 118 ? 0.419474 0.319932 0.245116  -0.00968677 0.0666189   -0.0247159  130 PHE   B CB   
3612 C CG   . PHE   B 118 ? 0.377972 0.289075 0.268349  -0.0180321  0.0357107   -0.0255655  130 PHE   B CG   
3613 C CD1  . PHE   B 118 ? 0.382939 0.327046 0.288481  -0.00583489 0.0382487   -0.0491993  130 PHE   B CD1  
3614 C CD2  . PHE   B 118 ? 0.414655 0.32141  0.302733  0.00131225  0.0319998   -0.0237581  130 PHE   B CD2  
3615 C CE1  . PHE   B 118 ? 0.400705 0.313632 0.284537  0.0208194   0.0454566   -0.00754225 130 PHE   B CE1  
3616 C CE2  . PHE   B 118 ? 0.429403 0.352562 0.27148   0.00878952  0.0279841   -0.0106729  130 PHE   B CE2  
3617 C CZ   . PHE   B 118 ? 0.393311 0.318148 0.253889  0.00834248  0.0297974   -0.00874187 130 PHE   B CZ   
3618 H H    . PHE   B 118 ? 0.407148 0.303766 0.241673  -0.00976294 0.0414404   -0.0231349  130 PHE   B H    
3619 H HA   . PHE   B 118 ? 0.444105 0.297037 0.260936  -0.0102789  0.0674468   -0.0228423  130 PHE   B HA   
3620 H HB2  . PHE   B 118 ? 0.399639 0.305328 0.23851   -0.00618358 0.0593413   -0.0330078  130 PHE   B HB2  
3621 H HB3  . PHE   B 118 ? 0.424911 0.307492 0.258606  -0.00673926 0.0601134   -0.0305475  130 PHE   B HB3  
3622 H HD1  . PHE   B 118 ? 0.372578 0.319147 0.281917  -0.00690012 0.0405384   -0.0447769  130 PHE   B HD1  
3623 H HD2  . PHE   B 118 ? 0.426055 0.318597 0.303597  0.00045945  0.0322951   -0.0220021  130 PHE   B HD2  
3624 H HE1  . PHE   B 118 ? 0.38298  0.315366 0.264261  0.0122328   0.040246    -0.0174765  130 PHE   B HE1  
3625 H HE2  . PHE   B 118 ? 0.434941 0.338484 0.284748  0.0117069   0.0306566   -0.0055984  130 PHE   B HE2  
3626 H HZ   . PHE   B 118 ? 0.406497 0.327414 0.253682  0.0144455   0.0346987   -0.00497907 130 PHE   B HZ   
3627 N N    . GLU   B 119 ? 0.422528 0.283893 0.277466  -0.00395621 0.0554001   -0.0337475  131 GLU   B N    
3628 C CA   . GLU   B 119 ? 0.432049 0.289043 0.33266   0.00607468  0.0409606   -0.0578019  131 GLU   B CA   
3629 C C    . GLU   B 119 ? 0.418505 0.328337 0.366486  -0.0128872  0.0394958   -0.0263558  131 GLU   B C    
3630 O O    . GLU   B 119 ? 0.486271 0.321791 0.347763  0.00331383  0.0154143   -0.0248967  131 GLU   B O    
3631 C CB   . GLU   B 119 ? 0.423583 0.311736 0.377216  -0.00616759 0.0482256   -0.061882   131 GLU   B CB   
3632 C CG   . GLU   B 119 ? 0.439263 0.323081 0.414847  -0.00231901 0.0520038   -0.0700058  131 GLU   B CG   
3633 C CD   . GLU   B 119 ? 0.450736 0.323266 0.466485  -0.0237512  0.0603937   -0.0748804  131 GLU   B CD   
3634 O OE1  . GLU   B 119 ? 0.502751 0.386617 0.408697  -0.0518673  0.0288203   -0.081195   131 GLU   B OE1  
3635 O OE2  . GLU   B 119 ? 0.53635  0.339437 0.540862  -0.0122417  0.0674274   -0.0751516  131 GLU   B OE2  
3636 H H    . GLU   B 119 ? 0.44193  0.282507 0.293189  -0.00667284 0.0619035   -0.030967   131 GLU   B H    
3637 H HA   . GLU   B 119 ? 0.413083 0.304422 0.32377   0.00169984  0.0423322   -0.057131   131 GLU   B HA   
3638 H HB2  . GLU   B 119 ? 0.42389  0.314323 0.379226  -0.0157045  0.0437931   -0.0660478  131 GLU   B HB2  
3639 H HB3  . GLU   B 119 ? 0.441795 0.305032 0.391192  -0.0113496  0.0495687   -0.0547302  131 GLU   B HB3  
3640 H HG2  . GLU   B 119 ? 0.4434   0.317423 0.420076  0.006415    0.0551673   -0.0647788  131 GLU   B HG2  
3641 H HG3  . GLU   B 119 ? 0.424649 0.325633 0.403204  0.0018919   0.0520118   -0.0755909  131 GLU   B HG3  
3642 N N    . ILE   B 120 ? 0.384789 0.31357  0.316508  0.00940961  0.0332147   -0.0543481  132 ILE   B N    
3643 C CA   . ILE   B 120 ? 0.413156 0.321386 0.336919  0.0408836   0.015438    -0.0522954  132 ILE   B CA   
3644 C C    . ILE   B 120 ? 0.421636 0.340738 0.40816   0.0501587   0.0138659   -0.0841471  132 ILE   B C    
3645 O O    . ILE   B 120 ? 0.424443 0.306784 0.372827  0.0347446   -0.0167057  -0.0715413  132 ILE   B O    
3646 C CB   . ILE   B 120 ? 0.367718 0.337215 0.36798   0.0296733   0.0239691   -0.0313895  132 ILE   B CB   
3647 C CG1  . ILE   B 120 ? 0.405831 0.333526 0.308811  0.0143394   0.063212    -0.00574231 132 ILE   B CG1  
3648 C CG2  . ILE   B 120 ? 0.353586 0.338506 0.345661  0.034655    0.0242699   -0.0124804  132 ILE   B CG2  
3649 C CD1  . ILE   B 120 ? 0.381445 0.325627 0.293438  0.0418099   0.0616173   0.0185071   132 ILE   B CD1  
3650 H H    . ILE   B 120 ? 0.388994 0.321051 0.319082  0.00946391  0.02994     -0.0537233  132 ILE   B H    
3651 H HA   . ILE   B 120 ? 0.414123 0.318345 0.355415  0.0356119   0.0199941   -0.043632   132 ILE   B HA   
3652 H HB   . ILE   B 120 ? 0.368284 0.341212 0.34847   0.0292319   0.0295108   -0.0391313  132 ILE   B HB   
3653 H HG12 . ILE   B 120 ? 0.402097 0.325637 0.321722  0.0233364   0.0540696   0.00356535  132 ILE   B HG12 
3654 H HG13 . ILE   B 120 ? 0.398185 0.325311 0.319176  0.0134222   0.0575003   -0.00674475 132 ILE   B HG13 
3655 H HG21 . ILE   B 120 ? 0.343464 0.342856 0.343525  0.0359049   0.0234285   -0.0138748  132 ILE   B HG21 
3656 H HG22 . ILE   B 120 ? 0.370318 0.334863 0.357053  0.0394909   0.0228814   -0.00858996 132 ILE   B HG22 
3657 H HG23 . ILE   B 120 ? 0.367546 0.348515 0.362816  0.0454979   0.0255101   -0.0227316  132 ILE   B HG23 
3658 H HD11 . ILE   B 120 ? 0.37509  0.331112 0.286401  0.0318913   0.06359     0.00912643  132 ILE   B HD11 
3659 H HD12 . ILE   B 120 ? 0.375005 0.322172 0.284834  0.0284427   0.0620731   0.0162585   132 ILE   B HD12 
3660 H HD13 . ILE   B 120 ? 0.381645 0.334277 0.296669  0.039777    0.0600183   0.0141662   132 ILE   B HD13 
3661 N N    . GLU   B 121 ? 0.42993  0.30419  0.385591  0.0544019   0.00553574  -0.0618703  133 GLU   B N    
3662 C CA   . GLU   B 121 ? 0.45011  0.350412 0.389304  0.0644416   -0.00648673 -0.0930703  133 GLU   B CA   
3663 C C    . GLU   B 121 ? 0.443559 0.373579 0.395134  0.0534172   -0.00711971 -0.0829004  133 GLU   B C    
3664 O O    . GLU   B 121 ? 0.484386 0.358296 0.380996  0.0567904   0.0109092   -0.0979434  133 GLU   B O    
3665 C CB   . GLU   B 121 ? 0.513814 0.349439 0.425375  0.0650059   0.0039248   -0.103793   133 GLU   B CB   
3666 C CG   . GLU   B 121 ? 0.530886 0.36689  0.473666  0.0596431   0.00745441  -0.0906023  133 GLU   B CG   
3667 C CD   . GLU   B 121 ? 0.565855 0.362722 0.532787  0.0603894   0.0284478   -0.119996   133 GLU   B CD   
3668 O OE1  . GLU   B 121 ? 0.573375 0.399496 0.63276   0.0479936   0.0472944   -0.101231   133 GLU   B OE1  
3669 O OE2  . GLU   B 121 ? 0.614882 0.384232 0.529211  0.0925784   -0.0168495  -0.139666   133 GLU   B OE2  
3670 H H    . GLU   B 121 ? 0.438773 0.313905 0.38905   0.0536972   0.00465688  -0.0617443  133 GLU   B H    
3671 H HA   . GLU   B 121 ? 0.448892 0.351762 0.387457  0.0575747   0.0001722   -0.0961277  133 GLU   B HA   
3672 H HB2  . GLU   B 121 ? 0.51758  0.342891 0.435707  0.0497258   0.00294072  -0.102591   133 GLU   B HB2  
3673 H HB3  . GLU   B 121 ? 0.517125 0.342484 0.437633  0.0606768   0.00075942  -0.0885369  133 GLU   B HB3  
3674 H HG2  . GLU   B 121 ? 0.524938 0.373957 0.473823  0.075754    0.0106073   -0.0938585  133 GLU   B HG2  
3675 H HG3  . GLU   B 121 ? 0.516228 0.374513 0.46163   0.0649041   0.015036    -0.105459   133 GLU   B HG3  
3676 N N    . LEU   B 122 ? 0.440288 0.407854 0.33092   0.0523799   0.0295645   -0.118724   134 LEU   B N    
3677 C CA   . LEU   B 122 ? 0.469312 0.443507 0.359847  0.0895273   -0.0001146  -0.0737457  134 LEU   B CA   
3678 C C    . LEU   B 122 ? 0.484578 0.448769 0.372038  0.105322    0.0140056   -0.106103   134 LEU   B C    
3679 O O    . LEU   B 122 ? 0.504089 0.504659 0.373721  0.133755    0.0383236   -0.10367    134 LEU   B O    
3680 C CB   . LEU   B 122 ? 0.435027 0.465026 0.353592  0.080323    0.0655821   -0.0852567  134 LEU   B CB   
3681 C CG   . LEU   B 122 ? 0.473886 0.458107 0.378329  0.082346    0.0200961   -0.0763897  134 LEU   B CG   
3682 C CD1  . LEU   B 122 ? 0.47277  0.447227 0.373365  0.0908851   0.0301383   -0.0713043  134 LEU   B CD1  
3683 C CD2  . LEU   B 122 ? 0.444046 0.467032 0.343581  0.0553957   0.0541604   -0.0856401  134 LEU   B CD2  
3684 H H    . LEU   B 122 ? 0.442537 0.407238 0.34403   0.0553299   0.0178973   -0.108465   134 LEU   B H    
3685 H HA   . LEU   B 122 ? 0.44948  0.433117 0.359802  0.0797275   0.0144984   -0.078648   134 LEU   B HA   
3686 H HB2  . LEU   B 122 ? 0.431302 0.440666 0.339188  0.0664265   0.0405643   -0.0787748  134 LEU   B HB2  
3687 H HB3  . LEU   B 122 ? 0.457019 0.461225 0.357706  0.0828119   0.0462205   -0.0900596  134 LEU   B HB3  
3688 H HG   . LEU   B 122 ? 0.482337 0.480724 0.388134  0.0967656   0.038428    -0.0832389  134 LEU   B HG   
3689 H HD11 . LEU   B 122 ? 0.486574 0.444539 0.383413  0.0973143   0.0207049   -0.0679568  134 LEU   B HD11 
3690 H HD12 . LEU   B 122 ? 0.464264 0.470969 0.382969  0.0927585   0.0239523   -0.0686567  134 LEU   B HD12 
3691 H HD13 . LEU   B 122 ? 0.456601 0.430781 0.358294  0.0752567   0.0233972   -0.0669374  134 LEU   B HD13 
3692 H HD21 . LEU   B 122 ? 0.453937 0.472861 0.347038  0.0627916   0.0518665   -0.0904794  134 LEU   B HD21 
3693 H HD22 . LEU   B 122 ? 0.431873 0.453684 0.334756  0.0464916   0.0441856   -0.0793593  134 LEU   B HD22 
3694 H HD23 . LEU   B 122 ? 0.441344 0.491519 0.362442  0.0661938   0.0464727   -0.0822688  134 LEU   B HD23 
3695 N N    . LEU   B 123 ? 0.522969 0.463612 0.393757  0.114914    0.00536537  -0.084964   135 LEU   B N    
3696 C CA   . LEU   B 123 ? 0.569806 0.449664 0.39369   0.135137    0.00864633  -0.111751   135 LEU   B CA   
3697 C C    . LEU   B 123 ? 0.555252 0.507092 0.459808  0.166506    0.00649605  -0.1086     135 LEU   B C    
3698 O O    . LEU   B 123 ? 0.623672 0.532588 0.473899  0.181361    -0.00879345 -0.167582   135 LEU   B O    
3699 C CB   . LEU   B 123 ? 0.607759 0.414787 0.440778  0.1436      0.00478125  -0.0729801  135 LEU   B CB   
3700 C CG   . LEU   B 123 ? 0.663995 0.374104 0.407381  0.105262    -0.000797   -0.0635181  135 LEU   B CG   
3701 C CD1  . LEU   B 123 ? 0.702152 0.399715 0.427426  0.11297     -0.0192081  -0.0351731  135 LEU   B CD1  
3702 C CD2  . LEU   B 123 ? 0.735941 0.403695 0.431866  0.0831337   -0.030422   -0.0676071  135 LEU   B CD2  
3703 H H    . LEU   B 123 ? 0.507292 0.449014 0.385319  0.106529    0.00124929  -0.0810853  135 LEU   B H    
3704 H HA   . LEU   B 123 ? 0.587029 0.442544 0.413246  0.1365      0.00679735  -0.116409   135 LEU   B HA   
3705 H HB2  . LEU   B 123 ? 0.596531 0.427652 0.422708  0.139266    0.0002363   -0.0670007  135 LEU   B HB2  
3706 H HB3  . LEU   B 123 ? 0.639097 0.429525 0.448551  0.160144    0.00214114  -0.0781731  135 LEU   B HB3  
3707 H HG   . LEU   B 123 ? 0.637102 0.373131 0.395471  0.0902394   -0.00725569 -0.0596152  135 LEU   B HG   
3708 H HD11 . LEU   B 123 ? 0.679369 0.400998 0.417978  0.115344    -0.0174624  -0.0321116  135 LEU   B HD11 
3709 H HD12 . LEU   B 123 ? 0.70834  0.374442 0.42473   0.100438    -0.0133316  -0.0354424  135 LEU   B HD12 
3710 H HD13 . LEU   B 123 ? 0.728077 0.404491 0.447804  0.130059    -0.0156316  -0.0398665  135 LEU   B HD13 
3711 H HD21 . LEU   B 123 ? 0.710882 0.395969 0.424731  0.0861607   -0.0165749  -0.079502   135 LEU   B HD21 
3712 H HD22 . LEU   B 123 ? 0.7568   0.406293 0.452661  0.103686    -0.0202141  -0.0715088  135 LEU   B HD22 
3713 H HD23 . LEU   B 123 ? 0.735576 0.374769 0.429547  0.0753774   -0.0213672  -0.0668692  135 LEU   B HD23 
3714 N N    . ASP   B 124 ? 0.512548 0.513075 0.422753  0.145382    0.00904821  -0.0901881  136 ASP   B N    
3715 C CA   . ASP   B 124 ? 0.525378 0.578071 0.456298  0.141926    0.00611676  -0.0564268  136 ASP   B CA   
3716 C C    . ASP   B 124 ? 0.466543 0.597834 0.420859  0.122006    -0.00623334 -0.0320064  136 ASP   B C    
3717 O O    . ASP   B 124 ? 0.445538 0.537697 0.331654  0.0909825   0.0197539   0.0373574   136 ASP   B O    
3718 C CB   . ASP   B 124 ? 0.569247 0.62027  0.589224  0.181315    0.0127692   -0.0589418  136 ASP   B CB   
3719 C CG   . ASP   B 124 ? 0.599741 0.702425 0.658493  0.206309    0.0100823   -0.0674215  136 ASP   B CG   
3720 O OD1  . ASP   B 124 ? 0.608037 0.77007  0.687204  0.1925      0.0890564   -0.0877767  136 ASP   B OD1  
3721 O OD2  . ASP   B 124 ? 0.652471 0.709217 0.737505  0.247922    -0.0174306  -0.0787262  136 ASP   B OD2  
3722 H H    . ASP   B 124 ? 0.502043 0.49964  0.414244  0.132946    0.00594613  -0.0822445  136 ASP   B H    
3723 H HA   . ASP   B 124 ? 0.515894 0.591197 0.464143  0.149381    0.017003    -0.0688199  136 ASP   B HA   
3724 H HB2  . ASP   B 124 ? 0.597852 0.607843 0.576951  0.187637    0.00952756  -0.0605879  136 ASP   B HB2  
3725 H HB3  . ASP   B 124 ? 0.56801  0.617817 0.577159  0.177411    -0.00067596 -0.04851    136 ASP   B HB3  
3726 N N    . PHE   B 125 ? 0.452906 0.693856 0.441174  0.101823    0.0225675   -0.0668629  137 PHE   B N    
3727 C CA   . PHE   B 125 ? 0.455016 0.722166 0.45837   0.0928008   0.0119162   -0.0876159  137 PHE   B CA   
3728 C C    . PHE   B 125 ? 0.432567 0.797422 0.544495  0.10406     0.0464162   -0.105183   137 PHE   B C    
3729 O O    . PHE   B 125 ? 0.456628 0.911767 0.595627  0.132195    0.091449    -0.0912141  137 PHE   B O    
3730 C CB   . PHE   B 125 ? 0.443399 0.739533 0.346645  0.0605563   0.00699977  -0.0750161  137 PHE   B CB   
3731 C CG   . PHE   B 125 ? 0.406121 0.802684 0.364871  0.0409828   0.046585    -0.0709211  137 PHE   B CG   
3732 C CD1  . PHE   B 125 ? 0.46682  0.887561 0.388055  -0.00193883 0.0279178   -0.0708063  137 PHE   B CD1  
3733 C CD2  . PHE   B 125 ? 0.398843 0.788587 0.330607  0.0470269   0.0759092   -0.0905754  137 PHE   B CD2  
3734 C CE1  . PHE   B 125 ? 0.486063 0.929482 0.399844  -0.0132218  0.0361876   -0.0589216  137 PHE   B CE1  
3735 C CE2  . PHE   B 125 ? 0.426274 0.867211 0.326697  0.0256494   0.0558508   -0.0696313  137 PHE   B CE2  
3736 C CZ   . PHE   B 125 ? 0.496047 0.907866 0.380911  -0.0369245  0.0397025   -0.0373489  137 PHE   B CZ   
3737 H H    . PHE   B 125 ? 0.465321 0.701925 0.458819  0.122955    0.0228677   -0.070572   137 PHE   B H    
3738 H HA   . PHE   B 125 ? 0.453639 0.714841 0.451251  0.090402    0.00391474  -0.0771263  137 PHE   B HA   
3739 H HB2  . PHE   B 125 ? 0.420587 0.747411 0.367887  0.0464729   0.00872385  -0.0747032  137 PHE   B HB2  
3740 H HB3  . PHE   B 125 ? 0.43945  0.707117 0.349626  0.0490557   0.0147966   -0.0734956  137 PHE   B HB3  
3741 H HD1  . PHE   B 125 ? 0.444847 0.90031  0.399474  0.00554314  0.023973    -0.0658459  137 PHE   B HD1  
3742 H HD2  . PHE   B 125 ? 0.413644 0.770466 0.323886  0.0373158   0.0604318   -0.0796209  137 PHE   B HD2  
3743 H HE1  . PHE   B 125 ? 0.47697  0.956925 0.414096  -0.0156483  0.0408626   -0.0579655  137 PHE   B HE1  
3744 H HE2  . PHE   B 125 ? 0.443343 0.834773 0.326614  0.0174081   0.0621282   -0.0753456  137 PHE   B HE2  
3745 H HZ   . PHE   B 125 ? 0.477135 0.920701 0.38044   -0.0148669  0.0579291   -0.0554744  137 PHE   B HZ   
3746 N N    . LYS   B 126 ? 0.433227 0.775719 0.601766  0.09648     0.0108178   -0.107113   138 LYS   B N    
3747 C CA   . LYS   B 126 ? 0.422667 0.790958 0.653306  0.135046    -0.0076727  -0.100706   138 LYS   B CA   
3748 C C    . LYS   B 126 ? 0.416371 0.8048   0.644444  0.101513    -0.0469604  -0.0905987  138 LYS   B C    
3749 O O    . LYS   B 126 ? 0.392069 0.728924 0.586538  0.0790508   -0.0660863  -0.0749171  138 LYS   B O    
3750 C CB   . LYS   B 126 ? 0.445496 0.791429 0.660634  0.164622    -0.0297375  -0.0996516  138 LYS   B CB   
3751 H H    . LYS   B 126 ? 0.426598 0.754069 0.580221  0.0915475   0.00336815  -0.097986   138 LYS   B H    
3752 H HA   . LYS   B 126 ? 0.427496 0.816145 0.659685  0.135759    -0.00156308 -0.104802   138 LYS   B HA   
3753 H HB2  . LYS   B 126 ? 0.253303 0.253303 0.253303  0           0           0           138 LYS   B HB2  
3754 H HB3  . LYS   B 126 ? 0.253303 0.253303 0.253303  0           0           0           138 LYS   B HB3  
3755 N N    . GLY   B 127 ? 0.427015 0.839095 0.698381  0.123373    -0.0421637  -0.0627579  139 GLY   B N    
3756 C CA   . GLY   B 127 ? 0.459181 0.858651 0.677478  0.0947826   -0.0964117  -0.0511691  139 GLY   B CA   
3757 C C    . GLY   B 127 ? 0.533129 0.834797 0.697441  0.088998    -0.135555   -0.0288532  139 GLY   B C    
3758 O O    . GLY   B 127 ? 0.60506  0.903363 0.69838   0.152248    -0.197923   -0.0250647  139 GLY   B O    
3759 H H    . GLY   B 127 ? 0.437927 0.868122 0.704065  0.135353    -0.0453252  -0.0721623  139 GLY   B H    
3760 H HA2  . GLY   B 127 ? 0.452224 0.817094 0.662328  0.0729633   -0.0827775  -0.0480448  139 GLY   B HA2  
3761 H HA3  . GLY   B 127 ? 0.458115 0.888783 0.711933  0.0930335   -0.0819705  -0.052183   139 GLY   B HA3  
3762 N N    . GLU   B 128 ? 0.619056 0.7847   0.666479  0.0148204   -0.16164    -0.0289571  140 GLU   B N    
3763 C CA   . GLU   B 128 ? 0.70661  0.776803 0.67897   0.00183015  -0.185666   -0.011594   140 GLU   B CA   
3764 C C    . GLU   B 128 ? 0.734452 0.879739 0.728518  -0.0169467  -0.200346   -0.00097575 140 GLU   B C    
3765 O O    . GLU   B 128 ? 0.762925 0.923927 0.776064  -0.052619   -0.184224   -0.00150278 140 GLU   B O    
3766 C CB   . GLU   B 128 ? 0.771201 0.681848 0.568878  -0.0742353  -0.21752    -0.0555399  140 GLU   B CB   
3767 O OXT  . GLU   B 128 ? 0.786081 0.906788 0.762477  0.0194463   -0.186845   0.0318442   140 GLU   B OXT  
3768 H H    . GLU   B 128 ? 0.600928 0.772787 0.661536  0.00325507  -0.147927   -0.0267119  140 GLU   B H    
3769 H HA   . GLU   B 128 ? 0.723261 0.758798 0.648684  0.0111978   -0.196812   -0.0189788  140 GLU   B HA   
3770 H HB2  . GLU   B 128 ? 0.253303 0.253303 0.253303  0           0           0           140 GLU   B HB2  
3771 H HB3  . GLU   B 128 ? 0.253303 0.253303 0.253303  0           0           0           140 GLU   B HB3  
3772 C C4   . A1INM C .   ? 0.428396 0.384339 0.18808   0.0423651   0.016366    0.0833936   201 A1INM A C4   
3773 C C14  . A1INM C .   ? 0.39801  0.370584 0.212169  -0.00033597 0.0568784   0.0379931   201 A1INM A C14  
3774 C C5   . A1INM C .   ? 0.45488  0.378086 0.21454   0.0437999   0.00904471  0.101293    201 A1INM A C5   
3775 C C6   . A1INM C .   ? 0.48521  0.416024 0.226054  0.0204808   -0.0102917  0.141847    201 A1INM A C6   
3776 C C11  . A1INM C .   ? 0.465894 0.379571 0.311598  -0.0126288  0.07859     0.0819839   201 A1INM A C11  
3777 C C7   . A1INM C .   ? 0.523025 0.441579 0.345343  0.0211239   -0.0253086  0.180833    201 A1INM A C7   
3778 C C8   . A1INM C .   ? 0.480563 0.431866 0.179945  0.0159528   0.0324253   0.131393    201 A1INM A C8   
3779 C C9   . A1INM C .   ? 0.510157 0.461179 0.263401  0.0248497   0.075655    0.129596    201 A1INM A C9   
3780 C C10  . A1INM C .   ? 0.496991 0.45142  0.29757   0.0165868   0.0930858   0.13508     201 A1INM A C10  
3781 C C12  . A1INM C .   ? 0.461908 0.359507 0.30753   -0.0102045  0.0760457   0.0890815   201 A1INM A C12  
3782 C C13  . A1INM C .   ? 0.40001  0.368498 0.288303  0.00144724  0.0685967   0.0488928   201 A1INM A C13  
3783 N N1   . A1INM C .   ? 0.479982 0.409874 0.319391  -0.0167631  0.0865239   0.116675    201 A1INM A N1   
3784 N N2   . A1INM C .   ? 0.486611 0.360493 0.327202  -0.00339685 0.0824564   0.0732423   201 A1INM A N2   
3785 C C3   . A1INM C .   ? 0.421409 0.373172 0.156337  0.0270505   0.0398245   0.101511    201 A1INM A C3   
3786 N N3   . A1INM C .   ? 0.493129 0.391163 0.335189  -0.0127047  0.0568518   0.119681    201 A1INM A N3   
3787 C C1   . A1INM C .   ? 0.466256 0.419897 0.0646693 -0.00704942 0.0575587   0.0741945   201 A1INM A C1   
3788 O O1   . A1INM C .   ? 0.504207 0.423497 0.175728  -0.00081884 0.0502163   0.0957877   201 A1INM A O1   
3789 C C2   . A1INM C .   ? 0.480207 0.421369 0.166653  0.0208463   0.0321555   0.109504    201 A1INM A C2   
3790 O O2   . A1INM C .   ? 0.523568 0.455458 0.254544  0.0137872   -0.00888117 0.17626     201 A1INM A O2   
3791 O O3   . A1INM C .   ? 0.509196 0.468331 0.182585  0.0150479   0.0521188   0.133484    201 A1INM A O3   
3792 C C15  . A1INM C .   ? 0.398213 0.360682 0.175452  0.0220044   0.0795794   0.01823     201 A1INM A C15  
3793 O O4   . A1INM C .   ? 0.37078  0.357669 0.152562  0.0241092   0.0596485   0.0244279   201 A1INM A O4   
3794 C C16  . A1INM C .   ? 0.396736 0.349674 0.206248  0.0525286   0.0588208   0.0288543   201 A1INM A C16  
3795 O O5   . A1INM C .   ? 0.383978 0.311376 0.186063  0.0464209   0.0722851   0.0468722   201 A1INM A O5   
3796 C C17  . A1INM C .   ? 0.382124 0.330874 0.219379  0.0466617   0.0582878   0.0216215   201 A1INM A C17  
3797 C C18  . A1INM C .   ? 0.38449  0.309783 0.248589  0.0710871   0.0506136   -0.00900772 201 A1INM A C18  
3798 C C19  . A1INM C .   ? 0.393872 0.340179 0.259531  0.0335701   0.0302925   -0.0177446  201 A1INM A C19  
3799 C C20  . A1INM C .   ? 0.369626 0.357851 0.306121  0.0429758   0.0358123   -0.0111099  201 A1INM A C20  
3800 C C21  . A1INM C .   ? 0.384443 0.344705 0.257517  0.0462732   0.0355498   0.0238578   201 A1INM A C21  
3801 N N4   . A1INM C .   ? 0.380075 0.344706 0.214061  0.0528761   0.0577631   0.0217909   201 A1INM A N4   
3802 C C22  . A1INM C .   ? 0.38669  0.371897 0.117227  0.0523167   0.0376504   0.0292607   201 A1INM A C22  
3803 O O6   . A1INM C .   ? 0.351972 0.401074 0.183591  0.0521059   0.0504956   0.023219    201 A1INM A O6   
3804 C C23  . A1INM C .   ? 0.42641  0.378664 0.18335   0.0508413   0.0142343   0.0511249   201 A1INM A C23  
3805 C C24  . A1INM C .   ? 0.429503 0.398289 0.185447  0.0607211   0.0218375   0.0343045   201 A1INM A C24  
3806 C C25  . A1INM C .   ? 0.404579 0.390902 0.187361  0.0763828   0.0257761   0.00970585  201 A1INM A C25  
3807 C C26  . A1INM C .   ? 0.410608 0.431758 0.189896  0.0677673   0.0237267   0.0182973   201 A1INM A C26  
3808 C C27  . A1INM C .   ? 0.435871 0.444897 0.197903  0.0767411   0.0149011   0.011811    201 A1INM A C27  
3809 C C28  . A1INM C .   ? 0.446013 0.444194 0.193438  0.0475946   -0.00133112 0.0360264   201 A1INM A C28  
3810 C C29  . A1INM C .   ? 0.435659 0.416929 0.187711  0.0419528   -0.0116506  0.0421229   201 A1INM A C29  
3811 H H17  . A1INM C .   ? 0.390154 0.351114 0.219541  0.0119119   0.069986    0.0237449   201 A1INM A H17  
3812 H H16  . A1INM C .   ? 0.40325  0.396639 0.219256  -0.00993009 0.0785397   0.0339294   201 A1INM A H16  
3813 H H5   . A1INM C .   ? 0.463512 0.366693 0.236521  0.0536601   -0.0102783  0.105667    201 A1INM A H5   
3814 H H13  . A1INM C .   ? 0.465483 0.396902 0.289677  -0.0238783  0.0981497   0.0737266   201 A1INM A H13  
3815 H H7   . A1INM C .   ? 0.542736 0.456498 0.356306  0.0148632   -0.0365145  0.198709    201 A1INM A H7   
3816 H H8   . A1INM C .   ? 0.528591 0.428077 0.336018  0.0391967   -0.0368069  0.174631    201 A1INM A H8   
3817 H H6   . A1INM C .   ? 0.520425 0.418133 0.325594  0.0239281   -0.0206935  0.168201    201 A1INM A H6   
3818 H H9   . A1INM C .   ? 0.497909 0.452239 0.226456  0.0171293   0.0913038   0.111314    201 A1INM A H9   
3819 H H10  . A1INM C .   ? 0.521382 0.507134 0.250673  0.0023706   0.081784    0.140108    201 A1INM A H10  
3820 H H12  . A1INM C .   ? 0.510487 0.450208 0.322015  0.0108722   0.0713522   0.154997    201 A1INM A H12  
3821 H H11  . A1INM C .   ? 0.504923 0.479462 0.29743   -0.00670706 0.100435    0.140213    201 A1INM A H11  
3822 H H15  . A1INM C .   ? 0.407139 0.337122 0.283537  0.0146165   0.0538704   0.0521097   201 A1INM A H15  
3823 H H14  . A1INM C .   ? 0.407731 0.364765 0.294319  -0.00522025 0.0677656   0.0573695   201 A1INM A H14  
3824 H H4   . A1INM C .   ? 0.424859 0.367288 0.142829  0.028848    0.0460155   0.0867441   201 A1INM A H4   
3825 H H2   . A1INM C .   ? 0.476195 0.436799 0.0754016 -0.0192136  0.0658481   0.0645207   201 A1INM A H2   
3826 H H3   . A1INM C .   ? 0.462076 0.393513 0.0858597 0.00159474  0.0617165   0.0652864   201 A1INM A H3   
3827 H H1   . A1INM C .   ? 0.463466 0.412642 0.0833747 0.00351762  0.0556085   0.0735099   201 A1INM A H1   
3828 H H19  . A1INM C .   ? 0.388371 0.361594 0.163472  0.0136763   0.0833097   0.0102634   201 A1INM A H19  
3829 H H18  . A1INM C .   ? 0.398166 0.39085  0.172565  0.00431693  0.0750399   0.0304386   201 A1INM A H18  
3830 H H20  . A1INM C .   ? 0.378206 0.329645 0.201369  0.0568493   0.0655084   0.011303    201 A1INM A H20  
3831 H H22  . A1INM C .   ? 0.37903  0.306148 0.237579  0.0625738   0.0554097   -0.0130167  201 A1INM A H22  
3832 H H21  . A1INM C .   ? 0.388645 0.310468 0.241103  0.0757157   0.0411633   -0.0123052  201 A1INM A H21  
3833 H H23  . A1INM C .   ? 0.386575 0.322228 0.280851  0.0500894   0.0247701   -0.0210769  201 A1INM A H23  
3834 H H24  . A1INM C .   ? 0.382626 0.345154 0.273802  0.0290032   0.0438037   -0.00973395 201 A1INM A H24  
3835 H H25  . A1INM C .   ? 0.38693  0.339605 0.295935  0.0605223   0.0204863   -0.0107652  201 A1INM A H25  
3836 H H26  . A1INM C .   ? 0.389583 0.349822 0.315512  0.0395576   0.0203509   0.00535306  201 A1INM A H26  
3837 H H27  . A1INM C .   ? 0.38877  0.356437 0.272661  0.0511845   0.0281852   0.0296644   201 A1INM A H27  
3838 H H28  . A1INM C .   ? 0.381372 0.364851 0.262854  0.0292917   0.0457747   0.0287474   201 A1INM A H28  
3839 H H29  . A1INM C .   ? 0.42776  0.367577 0.196987  0.064151    0.00492589  0.0522818   201 A1INM A H29  
3840 H H30  . A1INM C .   ? 0.415374 0.407907 0.161745  0.046004    0.0302817   0.0302456   201 A1INM A H30  
3841 H H32  . A1INM C .   ? 0.421105 0.384313 0.21029   0.0843007   0.00984476  0.014729    201 A1INM A H32  
3842 H H31  . A1INM C .   ? 0.407678 0.379518 0.177431  0.0738592   0.029642    0.00608145  201 A1INM A H31  
3843 H H33  . A1INM C .   ? 0.405411 0.435819 0.169271  0.0615225   0.037706    0.0120913   201 A1INM A H33  
3844 H H34  . A1INM C .   ? 0.416686 0.423411 0.192648  0.0885481   0.0256334   0.00220966  201 A1INM A H34  
3845 H H35  . A1INM C .   ? 0.433254 0.463755 0.200819  0.0805028   0.0137448   0.0162522   201 A1INM A H35  
3846 H H36  . A1INM C .   ? 0.445449 0.436023 0.224004  0.0877802   -0.00220039 0.017162    201 A1INM A H36  
3847 H H37  . A1INM C .   ? 0.434065 0.457038 0.175671  0.0381176   0.00989672  0.0340734   201 A1INM A H37  
3848 H H38  . A1INM C .   ? 0.449629 0.461805 0.21321   0.053225    -0.0115735  0.0463937   201 A1INM A H38  
3849 H H40  . A1INM C .   ? 0.448314 0.408733 0.215404  0.052135    -0.0177419  0.0475544   201 A1INM A H40  
3850 H H39  . A1INM C .   ? 0.439752 0.433985 0.185502  0.0283071   -0.00201956 0.0520184   201 A1INM A H39  
3851 C C4   . A1INM D .   ? 0.462153 0.317169 0.355244  0.0202805   0.0573945   0.00565621  201 A1INM B C4   
3852 C C14  . A1INM D .   ? 0.497493 0.403744 0.250732  0.0406333   0.0112216   0.008137    201 A1INM B C14  
3853 C C5   . A1INM D .   ? 0.540804 0.350342 0.327472  0.0105256   0.063348    0.0444873   201 A1INM B C5   
3854 C C6   . A1INM D .   ? 0.590015 0.322542 0.342666  0.0320503   0.0429101   0.0614422   201 A1INM B C6   
3855 C C11  . A1INM D .   ? 0.573428 0.425863 0.33115   0.0137809   -0.00061154 -0.00237928 201 A1INM B C11  
3856 C C7   . A1INM D .   ? 0.688872 0.343193 0.384543  0.0641624   0.0185496   0.0604286   201 A1INM B C7   
3857 C C8   . A1INM D .   ? 0.560591 0.351501 0.329742  0.0314529   0.0547916   0.0602368   201 A1INM B C8   
3858 C C9   . A1INM D .   ? 0.638735 0.454309 0.316449  0.0175675   0.0272851   0.0293487   201 A1INM B C9   
3859 C C10  . A1INM D .   ? 0.655611 0.451262 0.336152  0.0231185   0.0497459   0.0215029   201 A1INM B C10  
3860 C C12  . A1INM D .   ? 0.573353 0.4169   0.307415  0.017114    -0.00472039 0.0160157   201 A1INM B C12  
3861 C C13  . A1INM D .   ? 0.544524 0.428549 0.352395  0.0103578   -0.00702191 0.0128949   201 A1INM B C13  
3862 N N1   . A1INM D .   ? 0.625245 0.45144  0.322826  0.0222378   0.0343985   0.0453427   201 A1INM B N1   
3863 N N2   . A1INM D .   ? 0.604554 0.407386 0.383065  0.0156994   0.00465376  0.0781336   201 A1INM B N2   
3864 C C3   . A1INM D .   ? 0.507699 0.29979  0.355953  0.052611    0.0598145   0.0067671   201 A1INM B C3   
3865 N N3   . A1INM D .   ? 0.598621 0.474035 0.337426  0.00703913  0.0149774   0.054354    201 A1INM B N3   
3866 C C1   . A1INM D .   ? 0.527811 0.389704 0.327326  0.0451381   0.0777367   -0.00777136 201 A1INM B C1   
3867 O O1   . A1INM D .   ? 0.579527 0.354997 0.347574  0.0468519   0.057104    -0.0121694  201 A1INM B O1   
3868 C C2   . A1INM D .   ? 0.545688 0.312358 0.361986  0.0373623   0.061352    0.014142    201 A1INM B C2   
3869 O O2   . A1INM D .   ? 0.662984 0.351784 0.325784  0.0436948   0.056916    0.0785456   201 A1INM B O2   
3870 O O3   . A1INM D .   ? 0.624833 0.399785 0.340123  0.00324339  0.0550285   0.065203    201 A1INM B O3   
3871 C C15  . A1INM D .   ? 0.49495  0.380907 0.194713  0.021131    -0.0016363  -0.00184465 201 A1INM B C15  
3872 O O4   . A1INM D .   ? 0.485414 0.339194 0.198865  0.0292637   0.00425088  -0.00913491 201 A1INM B O4   
3873 C C16  . A1INM D .   ? 0.44583  0.312306 0.278785  0.0171962   0.0370302   0.0130293   201 A1INM B C16  
3874 O O5   . A1INM D .   ? 0.440515 0.318659 0.258362  0.0297227   0.0126147   0.0100716   201 A1INM B O5   
3875 C C17  . A1INM D .   ? 0.401469 0.294729 0.316359  0.0419227   0.0529543   -0.0317642  201 A1INM B C17  
3876 C C18  . A1INM D .   ? 0.348699 0.325603 0.260842  -0.00772172 0.0564047   -0.00391887 201 A1INM B C18  
3877 C C19  . A1INM D .   ? 0.412006 0.319698 0.25969   0.0256915   0.0592987   -0.0304873  201 A1INM B C19  
3878 C C20  . A1INM D .   ? 0.420618 0.3155   0.271215  0.0292521   0.0431794   0.0102881   201 A1INM B C20  
3879 C C21  . A1INM D .   ? 0.418925 0.292401 0.320839  0.0243639   0.0546255   0.00971893  201 A1INM B C21  
3880 N N4   . A1INM D .   ? 0.4133   0.310498 0.296313  0.023948    0.0566393   -0.00450077 201 A1INM B N4   
3881 C C22  . A1INM D .   ? 0.407746 0.312656 0.312772  0.0149381   0.0268923   0.00743615  201 A1INM B C22  
3882 O O6   . A1INM D .   ? 0.438782 0.324235 0.272383  0.0216577   0.0814091   0.00435186  201 A1INM B O6   
3883 C C23  . A1INM D .   ? 0.443629 0.326897 0.340418  0.0148401   0.0552649   0.0463702   201 A1INM B C23  
3884 C C24  . A1INM D .   ? 0.457323 0.359233 0.327591  0.00157765  0.0391686   0.0560446   201 A1INM B C24  
3885 C C25  . A1INM D .   ? 0.470974 0.364553 0.322263  0.00108909  0.036051    0.0451138   201 A1INM B C25  
3886 C C26  . A1INM D .   ? 0.424971 0.401611 0.404835  -0.0243789  0.0660703   0.0359756   201 A1INM B C26  
3887 C C27  . A1INM D .   ? 0.445784 0.456054 0.366085  -0.0288805  0.0590867   0.0543217   201 A1INM B C27  
3888 C C28  . A1INM D .   ? 0.451669 0.43668  0.372428  -0.0155566  0.0634206   0.0507787   201 A1INM B C28  
3889 C C29  . A1INM D .   ? 0.47094  0.416717 0.341283  -0.0159867  0.035097    0.0676755   201 A1INM B C29  
3890 H H17  . A1INM D .   ? 0.485925 0.401212 0.252608  0.0256741   -0.00013889 2.307e-05   201 A1INM B H17  
3891 H H16  . A1INM D .   ? 0.517017 0.418584 0.257024  0.0360933   -0.00388048 0.00689922  201 A1INM B H16  
3892 H H5   . A1INM D .   ? 0.539668 0.331958 0.357778  0.0138617   0.0581637   0.0424865   201 A1INM B H5   
3893 H H13  . A1INM D .   ? 0.578138 0.428548 0.30948   0.0156617   0.00160205  0.0043163   201 A1INM B H13  
3894 H H7   . A1INM D .   ? 0.71489  0.352645 0.388826  0.0626353   0.0321999   0.0744909   201 A1INM B H7   
3895 H H8   . A1INM D .   ? 0.677234 0.337342 0.381487  0.0433107   0.0370949   0.064572    201 A1INM B H8   
3896 H H6   . A1INM D .   ? 0.674979 0.336495 0.372974  0.0619822   0.0173873   0.0564531   201 A1INM B H6   
3897 H H9   . A1INM D .   ? 0.613518 0.439122 0.313557  0.0152539   0.0318843   0.020879    201 A1INM B H9   
3898 H H10  . A1INM D .   ? 0.655673 0.457601 0.319953  0.0217341   0.0415735   0.0394824   201 A1INM B H10  
3899 H H12  . A1INM D .   ? 0.674756 0.455615 0.346024  0.0254577   0.0472633   0.0429748   201 A1INM B H12  
3900 H H11  . A1INM D .   ? 0.669307 0.471422 0.330344  0.0358263   0.032809    0.0331048   201 A1INM B H11  
3901 H H15  . A1INM D .   ? 0.528164 0.407227 0.33347   0.0164964   0.00698947  0.0143961   201 A1INM B H15  
3902 H H14  . A1INM D .   ? 0.545616 0.429137 0.328428  0.0274518   -0.0101389  0.0103129   201 A1INM B H14  
3903 H H4   . A1INM D .   ? 0.481155 0.299026 0.340739  0.0381003   0.0574222   0.0022626   201 A1INM B H4   
3904 H H2   . A1INM D .   ? 0.544901 0.388167 0.326196  0.0500184   0.0693153   -0.00928096 201 A1INM B H2   
3905 H H3   . A1INM D .   ? 0.516807 0.366244 0.32469   0.0424979   0.0649769   -0.0163609  201 A1INM B H3   
3906 H H1   . A1INM D .   ? 0.524246 0.37112  0.331628  0.0378948   0.0783941   -0.0106395  201 A1INM B H1   
3907 H H19  . A1INM D .   ? 0.485271 0.377125 0.196512  0.0235237   0.00135348  -0.00647175 201 A1INM B H19  
3908 H H18  . A1INM D .   ? 0.510714 0.382458 0.205015  0.0296064   0.00875744  0.00650057  201 A1INM B H18  
3909 H H20  . A1INM D .   ? 0.384663 0.299631 0.284043  0.0176774   0.0543722   -0.0157376  201 A1INM B H20  
3910 H H22  . A1INM D .   ? 0.353027 0.311166 0.263278  0.00245433  0.0526495   -0.0205869  201 A1INM B H22  
3911 H H21  . A1INM D .   ? 0.359294 0.307103 0.268309  0.00149075  0.0583901   -0.0213645  201 A1INM B H21  
3912 H H23  . A1INM D .   ? 0.391113 0.323757 0.266167  0.0259507   0.0540375   -0.0219912  201 A1INM B H23  
3913 H H24  . A1INM D .   ? 0.405251 0.33243  0.263386  0.0281302   0.0479016   -0.0134725  201 A1INM B H24  
3914 H H25  . A1INM D .   ? 0.415804 0.301364 0.284949  0.0217419   0.0512194   -0.00382869 201 A1INM B H25  
3915 H H26  . A1INM D .   ? 0.437124 0.313655 0.294202  0.0382923   0.0459739   0.00536043  201 A1INM B H26  
3916 H H27  . A1INM D .   ? 0.434884 0.298087 0.318948  0.0191339   0.0595662   0.0149615   201 A1INM B H27  
3917 H H28  . A1INM D .   ? 0.437842 0.311621 0.311413  0.0332035   0.05215     0.0148622   201 A1INM B H28  
3918 H H29  . A1INM D .   ? 0.451286 0.324798 0.35109   0.010776    0.0466842   0.0343612   201 A1INM B H29  
3919 H H30  . A1INM D .   ? 0.448476 0.366469 0.316216  0.00416755  0.0419543   0.0516085   201 A1INM B H30  
3920 H H32  . A1INM D .   ? 0.465944 0.36198  0.353811  -0.00646242 0.0408891   0.0430292   201 A1INM B H32  
3921 H H31  . A1INM D .   ? 0.441067 0.360073 0.328801  0.00024344  0.0342356   0.0350147   201 A1INM B H31  
3922 H H33  . A1INM D .   ? 0.424262 0.405613 0.362964  -0.0153435  0.0570935   0.0391125   201 A1INM B H33  
3923 H H34  . A1INM D .   ? 0.425128 0.400568 0.394277  -0.0250245  0.0575408   0.0353739   201 A1INM B H34  
3924 H H35  . A1INM D .   ? 0.437287 0.452794 0.385542  -0.0346577  0.0680767   0.0494765   201 A1INM B H35  
3925 H H36  . A1INM D .   ? 0.452783 0.444343 0.398975  -0.0357049  0.0634958   0.0515411   201 A1INM B H36  
3926 H H37  . A1INM D .   ? 0.453847 0.443253 0.354255  -0.0133411  0.0622391   0.0555758   201 A1INM B H37  
3927 H H38  . A1INM D .   ? 0.477176 0.449842 0.383299  -0.0242441  0.0671059   0.0654674   201 A1INM B H38  
3928 H H40  . A1INM D .   ? 0.483228 0.409111 0.361775  -0.0145297  0.0424755   0.0665765   201 A1INM B H40  
3929 H H39  . A1INM D .   ? 0.485865 0.415934 0.340262  -0.00394331 0.0436305   0.0703234   201 A1INM B H39  
3930 O O    . HOH   E .   ? 0.596821 0.537564 0.351337  0.0555571   -0.00731263 -0.00414308 301 HOH   A O    
3931 O O    . HOH   E .   ? 0.5572   0.646416 0.431131  -0.0261952  0.0912941   0.0294062   302 HOH   A O    
3932 O O    . HOH   E .   ? 0.609504 0.559683 0.330267  0.100448    -0.171794   -0.0164319  303 HOH   A O    
3933 O O    . HOH   E .   ? 0.480783 0.647473 0.254713  -0.0134074  0.138142    -0.0123838  304 HOH   A O    
3934 O O    . HOH   E .   ? 0.560152 0.431907 0.505546  -0.00865172 -0.0314927  0.120512    305 HOH   A O    
3935 O O    . HOH   E .   ? 0.66807  0.420002 0.452471  0.166705    -0.112888   -0.078005   306 HOH   A O    
3936 O O    . HOH   E .   ? 0.56681  0.65039  0.213954  0.00672943  0.0533391   -0.0329054  307 HOH   A O    
3937 O O    . HOH   E .   ? 0.515589 0.419678 0.524857  0.0823514   -0.200061   -0.0712014  308 HOH   A O    
3938 O O    . HOH   E .   ? 0.735492 0.593506 0.362722  -0.0300623  -0.0571028  -0.00680563 309 HOH   A O    
3939 O O    . HOH   E .   ? 0.403265 0.289358 0.244081  0.0160217   0.0736097   0.0227952   310 HOH   A O    
3940 O O    . HOH   E .   ? 0.699227 0.351143 0.656601  0.0533149   0.126111    0.00062267  311 HOH   A O    
3941 O O    . HOH   E .   ? 0.578519 0.512581 0.550578  0.0868561   -0.0612549  -0.0032825  312 HOH   A O    
3942 O O    . HOH   E .   ? 0.361756 0.412881 0.204428  0.0314769   0.0832908   0.0265993   313 HOH   A O    
3943 O O    . HOH   E .   ? 0.457287 0.348902 0.357646  0.131093    -0.00250711 0.00890353  314 HOH   A O    
3944 O O    . HOH   E .   ? 0.462951 0.537968 0.215059  0.12305     0.0965787   0.110681    315 HOH   A O    
3945 O O    . HOH   E .   ? 0.708166 0.572877 0.424241  -0.0663853  0.0793215   -0.00598297 316 HOH   A O    
3946 O O    . HOH   E .   ? 0.600306 0.587821 0.26434   0.0200448   0.0484519   0.162912    317 HOH   A O    
3947 O O    . HOH   E .   ? 0.678839 0.664788 0.519038  0.0620576   -0.0186321  0.0490159   318 HOH   A O    
3948 O O    . HOH   E .   ? 0.49215  0.339339 0.326089  0.0379936   -0.0187314  0.0170675   319 HOH   A O    
3949 O O    . HOH   E .   ? 0.655088 0.522884 0.371622  -0.0731295  0.0168389   -0.187589   320 HOH   A O    
3950 O O    . HOH   E .   ? 0.358588 0.403909 0.207071  0.0215615   0.110335    0.0141426   321 HOH   A O    
3951 O O    . HOH   E .   ? 0.570793 0.574319 0.498529  0.182504    0.0512013   -0.0742242  322 HOH   A O    
3952 O O    . HOH   E .   ? 0.498352 0.486887 0.509783  0.0335725   -0.103667   -0.0393534  323 HOH   A O    
3953 O O    . HOH   E .   ? 0.455695 0.544876 0.461259  0.0556561   -0.105241   0.0962528   324 HOH   A O    
3954 O O    . HOH   E .   ? 0.374687 0.349677 0.250325  0.030974    0.0214413   0.0405662   325 HOH   A O    
3955 O O    . HOH   E .   ? 0.336988 0.354868 0.19838   0.00924885  0.0725965   0.0270976   326 HOH   A O    
3956 O O    . HOH   E .   ? 0.596295 0.378698 0.241155  -0.0394074  0.0953061   0.052296    327 HOH   A O    
3957 O O    . HOH   E .   ? 0.513912 0.487811 0.484812  -0.00776747 0.0541503   0.057625    328 HOH   A O    
3958 O O    . HOH   E .   ? 0.504773 0.522683 0.31455   0.0146331   0.0851179   0.0641704   329 HOH   A O    
3959 O O    . HOH   E .   ? 0.656751 0.655703 0.438988  0.0224133   0.100613    -0.0954206  330 HOH   A O    
3960 O O    . HOH   E .   ? 0.473478 0.364125 0.373251  0.049526    0.0340013   0.0654009   331 HOH   A O    
3961 O O    . HOH   E .   ? 0.540464 0.588292 0.471641  -0.0517819  0.0543843   0.0730474   332 HOH   A O    
3962 O O    . HOH   E .   ? 0.513721 0.471198 0.422183  -0.025313   0.0595174   -0.0445964  333 HOH   A O    
3963 O O    . HOH   E .   ? 0.662456 0.55363  0.412537  -0.00625621 -0.0797513  0.0947854   334 HOH   A O    
3964 O O    . HOH   E .   ? 0.633202 0.439051 0.32028   0.0603866   -0.00933065 0.0688006   335 HOH   A O    
3965 O O    . HOH   E .   ? 0.46963  0.361676 0.438777  0.0282813   0.0593332   0.0328393   336 HOH   A O    
3966 O O    . HOH   E .   ? 0.581415 0.409478 0.572939  0.119116    0.0945565   0.0801976   337 HOH   A O    
3967 O O    . HOH   E .   ? 0.551694 0.399103 0.443054  0.0506857   -0.0336659  0.0570911   338 HOH   A O    
3968 O O    . HOH   E .   ? 0.697065 0.466134 0.447032  -0.016621   0.0512807   0.0403977   339 HOH   A O    
3969 O O    . HOH   E .   ? 0.462099 0.372681 0.404566  0.111205    0.0277989   -0.033045   340 HOH   A O    
3970 O O    . HOH   E .   ? 0.524931 0.444941 0.333941  -0.00829606 0.079188    0.0789258   341 HOH   A O    
3971 O O    . HOH   E .   ? 0.713854 0.41541  0.63196   0.0401825   -0.262499   0.0430731   342 HOH   A O    
3972 O O    . HOH   E .   ? 0.551751 0.500819 0.50073   0.0868268   -0.0602412  0.169971    343 HOH   A O    
3973 O O    . HOH   E .   ? 0.421454 0.508368 0.39158   -0.0238726  0.00266171  0.0645361   344 HOH   A O    
3974 O O    . HOH   E .   ? 0.526979 0.63326  0.280478  0.0716372   0.0731056   0.0863954   345 HOH   A O    
3975 O O    . HOH   E .   ? 0.534711 0.531163 0.456381  0.076392    0.0853552   0.0481177   346 HOH   A O    
3976 O O    . HOH   E .   ? 0.437776 0.557821 0.358862  0.0835065   0.131862    -0.0267588  347 HOH   A O    
3977 O O    . HOH   E .   ? 0.47834  0.52844  0.394365  -0.00452864 0.155834    0.0559728   348 HOH   A O    
3978 O O    . HOH   E .   ? 0.54653  0.521511 0.42728   0.0385258   0.0352188   -0.0881365  349 HOH   A O    
3979 O O    . HOH   E .   ? 0.688912 0.652281 0.399324  -0.0586952  0.135675    -0.0431666  350 HOH   A O    
3980 O O    . HOH   E .   ? 0.475497 0.472763 0.294148  -0.0786361  0.0635822   0.0436074   351 HOH   A O    
3981 O O    . HOH   E .   ? 0.441169 0.475343 0.210069  0.0246892   0.0885892   0.0360611   352 HOH   A O    
3982 O O    . HOH   E .   ? 0.537467 0.481536 0.65653   -0.0188726  0.128184    0.112659    353 HOH   A O    
3983 O O    . HOH   E .   ? 0.903191 0.686735 0.417994  0.110978    0.022876    -0.162783   354 HOH   A O    
3984 O O    . HOH   E .   ? 0.548653 0.498756 0.298749  0.0444454   0.0565626   0.0325992   355 HOH   A O    
3985 O O    . HOH   E .   ? 0.590127 0.710902 0.404656  0.0317026   0.0457878   0.0435276   356 HOH   A O    
3986 O O    . HOH   E .   ? 0.448547 0.634016 0.438362  0.0885397   0.0501864   -0.0348308  357 HOH   A O    
3987 O O    . HOH   E .   ? 0.551196 0.450661 0.674189  0.00520796  0.0551437   0.158214    358 HOH   A O    
3988 O O    . HOH   E .   ? 0.533773 0.376917 0.415655  0.0248707   -0.096631   0.103422    359 HOH   A O    
3989 O O    . HOH   E .   ? 0.490464 0.445084 0.608732  0.0127486   -0.0156922  -0.0827902  360 HOH   A O    
3990 O O    . HOH   E .   ? 0.564303 0.468873 0.403997  0.0427125   -0.128451   0.0079441   361 HOH   A O    
3991 O O    . HOH   E .   ? 0.537182 0.410767 0.42182   0.106733    -0.0474198  -0.0100958  362 HOH   A O    
3992 O O    . HOH   E .   ? 0.597975 0.486657 0.465528  0.0213708   0.0174608   -0.0100353  363 HOH   A O    
3993 O O    . HOH   E .   ? 0.449747 0.58431  0.400522  0.0348873   0.0587217   0.030474    364 HOH   A O    
3994 O O    . HOH   E .   ? 0.632895 0.66507  0.40788   0.0509689   -0.0164713  0.0296928   365 HOH   A O    
3995 O O    . HOH   E .   ? 0.532685 0.434219 0.385432  -0.0398069  0.0363357   0.0502958   366 HOH   A O    
3996 O O    . HOH   E .   ? 0.628704 0.430436 0.525191  0.0972388   0.0176482   0.081351    367 HOH   A O    
3997 O O    . HOH   E .   ? 0.42871  0.498375 0.215276  0.013545    -0.00174881 -9.788e-05  368 HOH   A O    
3998 O O    . HOH   F .   ? 0.485135 0.581961 0.508839  0.00587954  0.0512427   0.00543166  301 HOH   B O    
3999 O O    . HOH   F .   ? 0.527838 0.470228 0.483268  0.0175128   0.00097484  -0.0963529  302 HOH   B O    
4000 O O    . HOH   F .   ? 0.464358 0.470102 0.222068  0.0151597   0.00987689  -0.0544235  303 HOH   B O    
4001 O O    . HOH   F .   ? 0.543342 0.422957 0.394842  -0.0199093  0.0434519   -0.0152216  304 HOH   B O    
4002 O O    . HOH   F .   ? 0.493491 0.482024 0.636342  -0.0447934  0.0672415   -0.0932879  305 HOH   B O    
4003 O O    . HOH   F .   ? 0.681231 0.574821 0.394472  -0.0258628  0.0511725   0.0364616   306 HOH   B O    
4004 O O    . HOH   F .   ? 0.432824 0.540467 0.319062  0.0983586   0.0717983   -0.0896064  307 HOH   B O    
4005 O O    . HOH   F .   ? 0.375197 0.386689 0.300549  0.0626851   0.0455668   0.00679377  308 HOH   B O    
4006 O O    . HOH   F .   ? 0.555886 0.504041 0.173457  0.0271414   0.0368533   -0.0188711  309 HOH   B O    
4007 O O    . HOH   F .   ? 0.611934 0.467544 0.516812  0.0477364   0.0830454   0.0846988   310 HOH   B O    
4008 O O    . HOH   F .   ? 0.613174 0.57123  0.485438  0.0295624   0.0341667   -0.0892689  311 HOH   B O    
4009 O O    . HOH   F .   ? 0.455307 0.443308 0.291795  -0.00065717 0.0214178   0.044086    312 HOH   B O    
4010 O O    . HOH   F .   ? 0.503458 0.469755 0.28879   -0.00197479 0.0587724   -0.0534342  313 HOH   B O    
4011 O O    . HOH   F .   ? 0.553357 0.677722 0.380042  0.0503145   -0.0061849  -0.0933468  314 HOH   B O    
4012 O O    . HOH   F .   ? 0.496607 0.520244 0.282423  0.0913618   0.00856441  -0.1447     315 HOH   B O    
4013 O O    . HOH   F .   ? 0.572663 0.592498 0.56747   0.101102    0.0688051   -0.0236039  316 HOH   B O    
4014 O O    . HOH   F .   ? 0.562142 0.528812 0.536122  -0.121111   0.0978329   0.0810098   317 HOH   B O    
4015 O O    . HOH   F .   ? 0.441655 0.45578  0.389899  0.0247908   -0.00045543 -0.0213791  318 HOH   B O    
4016 O O    . HOH   F .   ? 0.607089 0.477913 0.572883  0.0237456   0.0297415   0.088083    319 HOH   B O    
4017 O O    . HOH   F .   ? 0.435134 0.397456 0.182188  0.0613529   0.0816453   0.0263843   320 HOH   B O    
4018 O O    . HOH   F .   ? 0.498041 0.541256 0.327111  0.0729433   0.108779    -0.115929   321 HOH   B O    
4019 O O    . HOH   F .   ? 0.366753 0.376957 0.161093  0.0117367   0.0780779   -0.00629085 322 HOH   B O    
4020 O O    . HOH   F .   ? 0.381134 0.43684  0.312669  -0.0747362  0.036576    -0.0346903  323 HOH   B O    
4021 O O    . HOH   F .   ? 0.510949 0.514514 0.216398  -0.0475408  0.0703382   -0.031568   324 HOH   B O    
4022 O O    . HOH   F .   ? 0.560779 0.474099 0.400926  -0.0141011  0.122168    -0.0510676  325 HOH   B O    
4023 O O    . HOH   F .   ? 0.608057 0.682678 0.354427  -0.122091   -0.0797402  -0.070566   326 HOH   B O    
4024 O O    . HOH   F .   ? 0.39769  0.439428 0.431394  -0.0392507  0.119723    -0.0572245  327 HOH   B O    
4025 O O    . HOH   F .   ? 0.444181 0.527393 0.410683  0.0341648   0.00740566  -0.110337   328 HOH   B O    
4026 O O    . HOH   F .   ? 0.556122 0.45811  0.917717  0.0175806   -0.017553   -0.0615183  329 HOH   B O    
4027 O O    . HOH   F .   ? 0.389732 0.395561 0.235478  0.00023393  0.0217784   -0.045886   330 HOH   B O    
4028 O O    . HOH   F .   ? 0.389624 0.35358  0.218121  0.00837786  0.0289088   0.0111045   331 HOH   B O    
4029 O O    . HOH   F .   ? 0.405144 0.361129 0.280195  -0.0671731  0.0484724   0.0226116   332 HOH   B O    
4030 O O    . HOH   F .   ? 0.363806 0.40122  0.425227  0.00981247  -0.0186856  -0.045828   333 HOH   B O    
4031 O O    . HOH   F .   ? 0.374406 0.450859 0.352907  -0.0182988  0.0564812   -0.0198503  334 HOH   B O    
4032 O O    . HOH   F .   ? 0.44347  0.419117 0.252502  0.031291    0.113466    0.0340606   335 HOH   B O    
4033 O O    . HOH   F .   ? 0.458073 0.404065 0.344157  0.0149572   0.0331715   0.0543958   336 HOH   B O    
4034 O O    . HOH   F .   ? 0.461108 0.433785 0.272001  0.0116976   -0.020093   -0.0204423  337 HOH   B O    
4035 O O    . HOH   F .   ? 0.338    0.359659 0.253188  0.00869203  0.0179609   0.0191935   338 HOH   B O    
4036 O O    . HOH   F .   ? 0.489062 0.43875  0.2796    0.043085    -0.00084045 0.0414381   339 HOH   B O    
4037 O O    . HOH   F .   ? 0.46334  0.402042 0.251549  0.0423372   0.011994    -0.00808809 340 HOH   B O    
4038 O O    . HOH   F .   ? 0.442883 0.374637 0.372049  0.0312791   0.0292323   -0.00697016 341 HOH   B O    
4039 O O    . HOH   F .   ? 0.525223 0.666713 0.411265  -0.0476548  0.0633804   0.0278634   342 HOH   B O    
4040 O O    . HOH   F .   ? 0.53418  0.466702 0.202281  0.0648258   0.0791544   0.0330428   343 HOH   B O    
4041 O O    . HOH   F .   ? 0.561112 0.511057 0.243633  0.03735     0.0530807   -0.035223   344 HOH   B O    
4042 O O    . HOH   F .   ? 0.408337 0.531239 0.554449  0.0133003   0.0287818   -0.00594147 345 HOH   B O    
4043 O O    . HOH   F .   ? 0.484119 0.569002 0.338489  0.103733    0.037594    0.00132921  346 HOH   B O    
4044 O O    . HOH   F .   ? 0.581687 0.43433  0.425317  0.037817    -0.0385561  -0.0373749  347 HOH   B O    
4045 O O    . HOH   F .   ? 0.535305 0.450931 0.490721  0.0531777   0.0283846   0.0371548   348 HOH   B O    
4046 O O    . HOH   F .   ? 0.436284 0.483031 0.206283  -0.00012219 -0.0275701  0.0549402   349 HOH   B O    
4047 O O    . HOH   F .   ? 0.396359 0.4755   0.362508  -0.0292254  0.0406483   -0.0806974  350 HOH   B O    
4048 O O    . HOH   F .   ? 0.486815 0.40426  0.419846  -0.0807142  -0.00516248 -0.0413698  351 HOH   B O    
4049 O O    . HOH   F .   ? 0.474314 0.480752 0.334134  0.0507445   0.018466    -0.0383917  352 HOH   B O    
4050 O O    . HOH   F .   ? 0.418817 0.376858 0.199972  0.0403511   0.0614195   0.0150359   353 HOH   B O    
4051 O O    . HOH   F .   ? 0.603022 0.702916 0.638121  0.0648563   0.00415192  -0.00777541 354 HOH   B O    
4052 O O    . HOH   F .   ? 0.467127 0.521226 0.56557   -0.12973    0.0091037   0.0831157   355 HOH   B O    
4053 O O    . HOH   F .   ? 0.404603 0.519669 0.290729  0.0526639   -0.0314955  -0.0360837  356 HOH   B O    
4054 O O    . HOH   F .   ? 0.641594 0.689041 0.525503  -0.0355967  0.0919366   0.0655971   357 HOH   B O    
4055 O O    . HOH   F .   ? 0.484296 0.582961 0.516699  -0.0856199  -0.122148   -0.098438   358 HOH   B O    
4056 O O    . HOH   F .   ? 0.422035 0.4447   0.363596  0.054424    -0.0297     -0.0368295  359 HOH   B O    
4057 O O    . HOH   F .   ? 0.516913 0.495821 0.367739  -0.0277462  0.0443457   0.0148736   360 HOH   B O    
4058 O O    . HOH   F .   ? 0.689081 0.53725  0.650707  0.0777903   -0.153785   0.00654015  361 HOH   B O    
4059 O O    . HOH   F .   ? 0.650296 0.653968 0.373337  -0.0886692  0.0191511   0.0495181   362 HOH   B O    
4060 O O    . HOH   F .   ? 0.619054 0.560229 0.368229  0.0180706   0.166141    0.0112817   363 HOH   B O    
4061 O O    . HOH   F .   ? 0.478338 0.571707 0.549129  0.0120668   -0.0268996  0.0360637   364 HOH   B O    
4062 O O    . HOH   F .   ? 0.490023 0.511449 0.461728  -0.040859   0.0256213   -0.00985739 365 HOH   B O    
4063 O O    . HOH   F .   ? 0.486357 0.533892 0.408849  -0.00523606 0.0749688   -0.0352095  366 HOH   B O    
4064 O O    . HOH   F .   ? 0.709288 0.648726 0.545858  -0.113548   0.0998089   -0.058968   367 HOH   B O    
4065 O O    . HOH   F .   ? 0.577956 0.55445  0.626639  0.0285334   0.0272405   -0.0344831  368 HOH   B O    
4066 O O    . HOH   F .   ? 0.467149 0.431146 0.400559  0.0449355   -0.0474333  0.0209805   369 HOH   B O    
4067 O O    . HOH   F .   ? 0.671339 0.738159 0.46848   -0.0206804  0.0878822   0.00138771  370 HOH   B O    
4068 O O    . HOH   F .   ? 0.660805 0.538871 0.387653  0.0173213   0.016473    -0.0358449  371 HOH   B O    
4069 O O    . HOH   F .   ? 0.54026  0.475058 0.424181  -0.0637865  -0.0145277  0.00156731  372 HOH   B O    
4070 O O    . HOH   F .   ? 0.599837 0.674296 0.391192  -0.0170581  0.0825356   0.0537409   373 HOH   B O    
4071 O O    . HOH   F .   ? 0.666231 0.514024 0.584634  -0.125693   0.0272131   -0.00142927 374 HOH   B O    
4072 O O    . HOH   F .   ? 0.614475 0.520669 0.566232  0.0533687   0.171398    0.0004883   375 HOH   B O    
4073 O O    . HOH   F .   ? 0.667215 0.575186 0.458531  0.0534785   -0.00769145 0.0240673   376 HOH   B O    
4074 O O    . HOH   F .   ? 0.557329 0.603728 0.401822  -0.00859672 -0.0304994  0.057404    377 HOH   B O    
4075 O O    . HOH   F .   ? 0.35491  0.506382 0.417367  -0.0494767  0.0610906   -0.104915   378 HOH   B O    
4076 O O    . HOH   F .   ? 0.501811 0.602069 0.48173   0.00396672  0.145533    -0.00990567 379 HOH   B O    
# 
