data_9F2M
# 
_entry.id   9F2M 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9F2M         pdb_00009f2m 10.2210/pdb9f2m/pdb 
WWPDB D_1292138037 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-05-21 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9F2M 
_pdbx_database_status.recvd_initial_deposition_date   2024-04-23 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 5 
_pdbx_contact_author.email              yasin.dagdas@gmi.oeaw.ac.at 
_pdbx_contact_author.name_first         Yasin 
_pdbx_contact_author.name_last          Dagdas 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-9502-355X 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Sanchez de Medina, V.' 1 0000-0001-5320-6633 
'Dagdas, Y.'            2 ?                   
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'To be published' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Nn, N.' 1 ? 
primary 'Pp, P.' 2 ? 
# 
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 'Autophagy-related protein' 12649.649 1  ? ? ? 'N- and C-terminal truncated variant'                                
2 polymer syn 'RxLR effector protein 54'  660.715   1  ? ? ? 'Peptide from Irish potato famine pathogen effector protein PexRD54' 
3 water   nat water                       18.015    91 ? ? ? ?                                                                    
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no no 
;SFKKEHPLEKRQAEASRIRNKYPDRIPVIVERAEKSDIPDIDKKKYLVPADLTVGQFVFVIRKRIKLSAEKAIFIFVRNV
LPPTAAMMSAIYDEHKDDDGFLYLTYSGE
;
;SFKKEHPLEKRQAEASRIRNKYPDRIPVIVERAEKSDIPDIDKKKYLVPADLTVGQFVFVIRKRIKLSAEKAIFIFVRNV
LPPTAAMMSAIYDEHKDDDGFLYLTYSGE
;
A ? 
2 'polypeptide(L)' no no DWEIV DWEIV D ? 
# 
_pdbx_entity_nonpoly.entity_id   3 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   SER n 
1 2   PHE n 
1 3   LYS n 
1 4   LYS n 
1 5   GLU n 
1 6   HIS n 
1 7   PRO n 
1 8   LEU n 
1 9   GLU n 
1 10  LYS n 
1 11  ARG n 
1 12  GLN n 
1 13  ALA n 
1 14  GLU n 
1 15  ALA n 
1 16  SER n 
1 17  ARG n 
1 18  ILE n 
1 19  ARG n 
1 20  ASN n 
1 21  LYS n 
1 22  TYR n 
1 23  PRO n 
1 24  ASP n 
1 25  ARG n 
1 26  ILE n 
1 27  PRO n 
1 28  VAL n 
1 29  ILE n 
1 30  VAL n 
1 31  GLU n 
1 32  ARG n 
1 33  ALA n 
1 34  GLU n 
1 35  LYS n 
1 36  SER n 
1 37  ASP n 
1 38  ILE n 
1 39  PRO n 
1 40  ASP n 
1 41  ILE n 
1 42  ASP n 
1 43  LYS n 
1 44  LYS n 
1 45  LYS n 
1 46  TYR n 
1 47  LEU n 
1 48  VAL n 
1 49  PRO n 
1 50  ALA n 
1 51  ASP n 
1 52  LEU n 
1 53  THR n 
1 54  VAL n 
1 55  GLY n 
1 56  GLN n 
1 57  PHE n 
1 58  VAL n 
1 59  PHE n 
1 60  VAL n 
1 61  ILE n 
1 62  ARG n 
1 63  LYS n 
1 64  ARG n 
1 65  ILE n 
1 66  LYS n 
1 67  LEU n 
1 68  SER n 
1 69  ALA n 
1 70  GLU n 
1 71  LYS n 
1 72  ALA n 
1 73  ILE n 
1 74  PHE n 
1 75  ILE n 
1 76  PHE n 
1 77  VAL n 
1 78  ARG n 
1 79  ASN n 
1 80  VAL n 
1 81  LEU n 
1 82  PRO n 
1 83  PRO n 
1 84  THR n 
1 85  ALA n 
1 86  ALA n 
1 87  MET n 
1 88  MET n 
1 89  SER n 
1 90  ALA n 
1 91  ILE n 
1 92  TYR n 
1 93  ASP n 
1 94  GLU n 
1 95  HIS n 
1 96  LYS n 
1 97  ASP n 
1 98  ASP n 
1 99  ASP n 
1 100 GLY n 
1 101 PHE n 
1 102 LEU n 
1 103 TYR n 
1 104 LEU n 
1 105 THR n 
1 106 TYR n 
1 107 SER n 
1 108 GLY n 
1 109 GLU n 
2 1   ASP n 
2 2   TRP n 
2 3   GLU n 
2 4   ILE n 
2 5   VAL 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                   109 
_entity_src_gen.gene_src_common_name               liverwort 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 MARPO_0001s0494 
_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      'Marchantia polymorpha' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     3197 
_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 B' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     37762 
_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                   ? 
# 
_pdbx_entity_src_syn.entity_id              2 
_pdbx_entity_src_syn.pdbx_src_id            1 
_pdbx_entity_src_syn.pdbx_alt_source_flag   sample 
_pdbx_entity_src_syn.pdbx_beg_seq_num       1 
_pdbx_entity_src_syn.pdbx_end_seq_num       5 
_pdbx_entity_src_syn.organism_scientific    'Phytophthora infestans' 
_pdbx_entity_src_syn.organism_common_name   'potato late blight agent' 
_pdbx_entity_src_syn.ncbi_taxonomy_id       4787 
_pdbx_entity_src_syn.details                ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
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   SER 1   5   5   SER SER A . n 
A 1 2   PHE 2   6   6   PHE PHE A . n 
A 1 3   LYS 3   7   7   LYS LYS A . n 
A 1 4   LYS 4   8   8   LYS LYS A . n 
A 1 5   GLU 5   9   9   GLU GLU A . n 
A 1 6   HIS 6   10  10  HIS HIS A . n 
A 1 7   PRO 7   11  11  PRO PRO A . n 
A 1 8   LEU 8   12  12  LEU LEU A . n 
A 1 9   GLU 9   13  13  GLU GLU A . n 
A 1 10  LYS 10  14  14  LYS LYS A . n 
A 1 11  ARG 11  15  15  ARG ARG A . n 
A 1 12  GLN 12  16  16  GLN GLN A . n 
A 1 13  ALA 13  17  17  ALA ALA A . n 
A 1 14  GLU 14  18  18  GLU GLU A . n 
A 1 15  ALA 15  19  19  ALA ALA A . n 
A 1 16  SER 16  20  20  SER SER A . n 
A 1 17  ARG 17  21  21  ARG ARG A . n 
A 1 18  ILE 18  22  22  ILE ILE A . n 
A 1 19  ARG 19  23  23  ARG ARG A . n 
A 1 20  ASN 20  24  24  ASN ASN A . n 
A 1 21  LYS 21  25  25  LYS LYS A . n 
A 1 22  TYR 22  26  26  TYR TYR A . n 
A 1 23  PRO 23  27  27  PRO PRO A . n 
A 1 24  ASP 24  28  28  ASP ASP A . n 
A 1 25  ARG 25  29  29  ARG ARG A . n 
A 1 26  ILE 26  30  30  ILE ILE A . n 
A 1 27  PRO 27  31  31  PRO PRO A . n 
A 1 28  VAL 28  32  32  VAL VAL A . n 
A 1 29  ILE 29  33  33  ILE ILE A . n 
A 1 30  VAL 30  34  34  VAL VAL A . n 
A 1 31  GLU 31  35  35  GLU GLU A . n 
A 1 32  ARG 32  36  36  ARG ARG A . n 
A 1 33  ALA 33  37  37  ALA ALA A . n 
A 1 34  GLU 34  38  38  GLU GLU A . n 
A 1 35  LYS 35  39  39  LYS LYS A . n 
A 1 36  SER 36  40  40  SER SER A . n 
A 1 37  ASP 37  41  41  ASP ASP A . n 
A 1 38  ILE 38  42  42  ILE ILE A . n 
A 1 39  PRO 39  43  43  PRO PRO A . n 
A 1 40  ASP 40  44  44  ASP ASP A . n 
A 1 41  ILE 41  45  45  ILE ILE A . n 
A 1 42  ASP 42  46  46  ASP ASP A . n 
A 1 43  LYS 43  47  47  LYS LYS A . n 
A 1 44  LYS 44  48  48  LYS LYS A . n 
A 1 45  LYS 45  49  49  LYS LYS A . n 
A 1 46  TYR 46  50  50  TYR TYR A . n 
A 1 47  LEU 47  51  51  LEU LEU A . n 
A 1 48  VAL 48  52  52  VAL VAL A . n 
A 1 49  PRO 49  53  53  PRO PRO A . n 
A 1 50  ALA 50  54  54  ALA ALA A . n 
A 1 51  ASP 51  55  55  ASP ASP A . n 
A 1 52  LEU 52  56  56  LEU LEU A . n 
A 1 53  THR 53  57  57  THR THR A . n 
A 1 54  VAL 54  58  58  VAL VAL A . n 
A 1 55  GLY 55  59  59  GLY GLY A . n 
A 1 56  GLN 56  60  60  GLN GLN A . n 
A 1 57  PHE 57  61  61  PHE PHE A . n 
A 1 58  VAL 58  62  62  VAL VAL A . n 
A 1 59  PHE 59  63  63  PHE PHE A . n 
A 1 60  VAL 60  64  64  VAL VAL A . n 
A 1 61  ILE 61  65  65  ILE ILE A . n 
A 1 62  ARG 62  66  66  ARG ARG A . n 
A 1 63  LYS 63  67  67  LYS LYS A . n 
A 1 64  ARG 64  68  68  ARG ARG A . n 
A 1 65  ILE 65  69  69  ILE ILE A . n 
A 1 66  LYS 66  70  70  LYS LYS A . n 
A 1 67  LEU 67  71  71  LEU LEU A . n 
A 1 68  SER 68  72  72  SER SER A . n 
A 1 69  ALA 69  73  73  ALA ALA A . n 
A 1 70  GLU 70  74  74  GLU GLU A . n 
A 1 71  LYS 71  75  75  LYS LYS A . n 
A 1 72  ALA 72  76  76  ALA ALA A . n 
A 1 73  ILE 73  77  77  ILE ILE A . n 
A 1 74  PHE 74  78  78  PHE PHE A . n 
A 1 75  ILE 75  79  79  ILE ILE A . n 
A 1 76  PHE 76  80  80  PHE PHE A . n 
A 1 77  VAL 77  81  81  VAL VAL A . n 
A 1 78  ARG 78  82  82  ARG ARG A . n 
A 1 79  ASN 79  83  83  ASN ASN A . n 
A 1 80  VAL 80  84  84  VAL VAL A . n 
A 1 81  LEU 81  85  85  LEU LEU A . n 
A 1 82  PRO 82  86  86  PRO PRO A . n 
A 1 83  PRO 83  87  87  PRO PRO A . n 
A 1 84  THR 84  88  88  THR THR A . n 
A 1 85  ALA 85  89  89  ALA ALA A . n 
A 1 86  ALA 86  90  90  ALA ALA A . n 
A 1 87  MET 87  91  91  MET MET A . n 
A 1 88  MET 88  92  92  MET MET A . n 
A 1 89  SER 89  93  93  SER SER A . n 
A 1 90  ALA 90  94  94  ALA ALA A . n 
A 1 91  ILE 91  95  95  ILE ILE A . n 
A 1 92  TYR 92  96  96  TYR TYR A . n 
A 1 93  ASP 93  97  97  ASP ASP A . n 
A 1 94  GLU 94  98  98  GLU GLU A . n 
A 1 95  HIS 95  99  99  HIS HIS A . n 
A 1 96  LYS 96  100 100 LYS LYS A . n 
A 1 97  ASP 97  101 101 ASP ASP A . n 
A 1 98  ASP 98  102 102 ASP ASP A . n 
A 1 99  ASP 99  103 103 ASP ASP A . n 
A 1 100 GLY 100 104 104 GLY GLY A . n 
A 1 101 PHE 101 105 105 PHE PHE A . n 
A 1 102 LEU 102 106 106 LEU LEU A . n 
A 1 103 TYR 103 107 107 TYR TYR A . n 
A 1 104 LEU 104 108 108 LEU LEU A . n 
A 1 105 THR 105 109 109 THR THR A . n 
A 1 106 TYR 106 110 110 TYR TYR A . n 
A 1 107 SER 107 111 111 SER SER A . n 
A 1 108 GLY 108 112 112 GLY GLY A . n 
A 1 109 GLU 109 113 113 GLU GLU A . n 
B 2 1   ASP 1   1   1   ASP ASP D . n 
B 2 2   TRP 2   2   2   TRP TRP D . n 
B 2 3   GLU 3   3   3   GLU GLU D . n 
B 2 4   ILE 4   4   4   ILE ILE D . n 
B 2 5   VAL 5   5   5   VAL VAL D . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 3 HOH 1  201 65  HOH HOH A . 
C 3 HOH 2  202 13  HOH HOH A . 
C 3 HOH 3  203 269 HOH HOH A . 
C 3 HOH 4  204 67  HOH HOH A . 
C 3 HOH 5  205 32  HOH HOH A . 
C 3 HOH 6  206 12  HOH HOH A . 
C 3 HOH 7  207 27  HOH HOH A . 
C 3 HOH 8  208 34  HOH HOH A . 
C 3 HOH 9  209 271 HOH HOH A . 
C 3 HOH 10 210 96  HOH HOH A . 
C 3 HOH 11 211 104 HOH HOH A . 
C 3 HOH 12 212 4   HOH HOH A . 
C 3 HOH 13 213 11  HOH HOH A . 
C 3 HOH 14 214 22  HOH HOH A . 
C 3 HOH 15 215 3   HOH HOH A . 
C 3 HOH 16 216 24  HOH HOH A . 
C 3 HOH 17 217 71  HOH HOH A . 
C 3 HOH 18 218 85  HOH HOH A . 
C 3 HOH 19 219 69  HOH HOH A . 
C 3 HOH 20 220 54  HOH HOH A . 
C 3 HOH 21 221 66  HOH HOH A . 
C 3 HOH 22 222 45  HOH HOH A . 
C 3 HOH 23 223 39  HOH HOH A . 
C 3 HOH 24 224 7   HOH HOH A . 
C 3 HOH 25 225 6   HOH HOH A . 
C 3 HOH 26 226 16  HOH HOH A . 
C 3 HOH 27 227 10  HOH HOH A . 
C 3 HOH 28 228 53  HOH HOH A . 
C 3 HOH 29 229 1   HOH HOH A . 
C 3 HOH 30 230 168 HOH HOH A . 
C 3 HOH 31 231 77  HOH HOH A . 
C 3 HOH 32 232 20  HOH HOH A . 
C 3 HOH 33 233 169 HOH HOH A . 
C 3 HOH 34 234 21  HOH HOH A . 
C 3 HOH 35 235 139 HOH HOH A . 
C 3 HOH 36 236 241 HOH HOH A . 
C 3 HOH 37 237 33  HOH HOH A . 
C 3 HOH 38 238 14  HOH HOH A . 
C 3 HOH 39 239 233 HOH HOH A . 
C 3 HOH 40 240 56  HOH HOH A . 
C 3 HOH 41 241 9   HOH HOH A . 
C 3 HOH 42 242 2   HOH HOH A . 
C 3 HOH 43 243 5   HOH HOH A . 
C 3 HOH 44 244 43  HOH HOH A . 
C 3 HOH 45 245 18  HOH HOH A . 
C 3 HOH 46 246 31  HOH HOH A . 
C 3 HOH 47 247 180 HOH HOH A . 
C 3 HOH 48 248 82  HOH HOH A . 
C 3 HOH 49 249 42  HOH HOH A . 
C 3 HOH 50 250 62  HOH HOH A . 
C 3 HOH 51 251 61  HOH HOH A . 
C 3 HOH 52 252 36  HOH HOH A . 
C 3 HOH 53 253 35  HOH HOH A . 
C 3 HOH 54 254 23  HOH HOH A . 
C 3 HOH 55 255 8   HOH HOH A . 
C 3 HOH 56 256 47  HOH HOH A . 
C 3 HOH 57 257 52  HOH HOH A . 
C 3 HOH 58 258 28  HOH HOH A . 
C 3 HOH 59 259 72  HOH HOH A . 
C 3 HOH 60 260 91  HOH HOH A . 
C 3 HOH 61 261 80  HOH HOH A . 
C 3 HOH 62 262 51  HOH HOH A . 
C 3 HOH 63 263 205 HOH HOH A . 
C 3 HOH 64 264 40  HOH HOH A . 
C 3 HOH 65 265 63  HOH HOH A . 
C 3 HOH 66 266 86  HOH HOH A . 
C 3 HOH 67 267 259 HOH HOH A . 
C 3 HOH 68 268 130 HOH HOH A . 
C 3 HOH 69 269 142 HOH HOH A . 
C 3 HOH 70 270 84  HOH HOH A . 
C 3 HOH 71 271 93  HOH HOH A . 
C 3 HOH 72 272 257 HOH HOH A . 
C 3 HOH 73 273 26  HOH HOH A . 
C 3 HOH 74 274 79  HOH HOH A . 
C 3 HOH 75 275 78  HOH HOH A . 
C 3 HOH 76 276 132 HOH HOH A . 
C 3 HOH 77 277 19  HOH HOH A . 
C 3 HOH 78 278 74  HOH HOH A . 
C 3 HOH 79 279 88  HOH HOH A . 
C 3 HOH 80 280 199 HOH HOH A . 
C 3 HOH 81 281 251 HOH HOH A . 
C 3 HOH 82 282 25  HOH HOH A . 
C 3 HOH 83 283 186 HOH HOH A . 
C 3 HOH 84 284 206 HOH HOH A . 
D 3 HOH 1  101 41  HOH HOH D . 
D 3 HOH 2  102 102 HOH HOH D . 
D 3 HOH 3  103 17  HOH HOH D . 
D 3 HOH 4  104 103 HOH HOH D . 
D 3 HOH 5  105 68  HOH HOH D . 
D 3 HOH 6  106 29  HOH HOH D . 
D 3 HOH 7  107 167 HOH HOH D . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 1.21.1_5286 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .           2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? .           3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? .           4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9F2M 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     36.230 
_cell.length_a_esd                 ? 
_cell.length_b                     36.230 
_cell.length_b_esd                 ? 
_cell.length_c                     69.590 
_cell.length_c_esd                 ? 
_cell.volume                       79106.858 
_cell.volume_esd                   ? 
_cell.Z_PDB                        3 
_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                         9F2M 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                145 
_symmetry.space_group_name_Hall            'P 32' 
_symmetry.space_group_name_H-M             'P 32' 
_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                   9F2M 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             1.98 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          37.91 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              5 
_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    
'25% (w/v) PEG 1500, 100 mM PCTP (sodium propionic acid, sodium cacodylate, Bis-Tris propane) pH 5.0' 
_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                     'IMAGE PLATE' 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'MAR scanner 345 mm plate' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2021-03-11 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.54789 
_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                      'ROTATING ANODE' 
_diffrn_source.target                      ? 
_diffrn_source.type                        'RIGAKU MICROMAX-007 HF' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.54789 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ? 
_diffrn_source.pdbx_synchrotron_site       ? 
# 
_reflns.B_iso_Wilson_estimate                          28.93 
_reflns.entry_id                                       9F2M 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.75 
_reflns.d_resolution_low                               30 
_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                                     10224 
_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                           98.5 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                3.4 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          23.1 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.037 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.75 
_reflns_shell.d_res_low                                     1.85 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           5.4 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1643 
_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                               3.3 
_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                               0.224 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.964 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          99 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               37.05 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 9F2M 
_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                            1.75 
_refine.ls_d_res_low                             28.60 
_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                     10218 
_refine.ls_number_reflns_R_free                  511 
_refine.ls_number_reflns_R_work                  9707 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.60 
_refine.ls_percent_reflns_R_free                 5.00 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1945 
_refine.ls_R_factor_R_free                       0.2402 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1920 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          2.01 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_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                 29.4391 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.2553 
_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                       1.75 
_refine_hist.d_res_low                        28.60 
_refine_hist.number_atoms_solvent             91 
_refine_hist.number_atoms_total               1029 
_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        938 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_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' ? 0.0149  ? 991  ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.3638  ? 1344 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0944  ? 148  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0149  ? 172  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 13.8790 ? 392  ? f_dihedral_angle_d ? ? 
# 
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' 1.75 1.92  . . 128 2447 99.61 . . . . 0.2542 . . . . . . . . . . . 0.3354 
'X-RAY DIFFRACTION' 1.92 2.20  . . 127 2409 99.10 . . . . 0.2191 . . . . . . . . . . . 0.2548 
'X-RAY DIFFRACTION' 2.20 2.77  . . 131 2488 99.54 . . . . 0.2289 . . . . . . . . . . . 0.2812 
'X-RAY DIFFRACTION' 2.77 28.60 . . 125 2363 96.21 . . . . 0.1635 . . . . . . . . . . . 0.2107 
# 
_struct.entry_id                     9F2M 
_struct.title                        'To be published' 
_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        9F2M 
_struct_keywords.text            'SIGNALING PROTEIN Autophagy related protein, PEPTIDE BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'PEPTIDE BINDING PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 3 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP A0A2R6XWU1_MARPO A0A2R6XWU1 ? 1 
;SFKKEHPLEKRQAEASRIRNKYPDRIPVIVERAEKSDIPDIDKKKYLVPADLTVGQFVFVIRKRIKLSAEKAIFIFVRNV
LPPTAAMMSAIYDEHKDDDGFLYLTYSGE
;
7   
2 UNP RD54_PHYIT       D0NBE6     ? 2 DWEIV 377 
# 
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 9F2M A 1 ? 109 ? A0A2R6XWU1 7   ? 115 ? 5 113 
2 2 9F2M D 1 ? 5   ? D0NBE6     377 ? 381 ? 1 5   
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 830  ? 
1 MORE         -5   ? 
1 'SSA (A^2)'  7170 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_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 SER A 1  ? HIS A 6  ? SER A 5  HIS A 10  1 ? 6  
HELX_P HELX_P2 AA2 PRO A 7  ? TYR A 22 ? PRO A 11 TYR A 26  1 ? 16 
HELX_P HELX_P3 AA3 THR A 53 ? LYS A 66 ? THR A 57 LYS A 70  1 ? 14 
HELX_P HELX_P4 AA4 MET A 87 ? LYS A 96 ? MET A 91 LYS A 100 1 ? 10 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   5 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? parallel      
AA1 3 4 ? anti-parallel 
AA1 4 5 ? 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 PHE A 74  ? PHE A 76  ? PHE A 78  PHE A 80  
AA1 2 LEU A 102 ? SER A 107 ? LEU A 106 SER A 111 
AA1 3 ARG A 25  ? ARG A 32  ? ARG A 29  ARG A 36  
AA1 4 LYS A 45  ? PRO A 49  ? LYS A 49  PRO A 53  
AA1 5 GLU B 3   ? ILE B 4   ? GLU D 3   ILE D 4   
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N PHE A 74  ? N PHE A 78  O SER A 107 ? O SER A 111 
AA1 2 3 O LEU A 104 ? O LEU A 108 N ILE A 29  ? N ILE A 33  
AA1 3 4 N ILE A 26  ? N ILE A 30  O VAL A 48  ? O VAL A 52  
AA1 4 5 N LEU A 47  ? N LEU A 51  O GLU B 3   ? O GLU D 3   
# 
_pdbx_entry_details.entry_id                   9F2M 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z         
2 -y,x-y,z+2/3  
3 -x+y,-x,z+1/3 
# 
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 -15.3262743667 -2.14453377671 -25.944126978  0.225090184315 ? 0.000157393399053 ? -0.0790308023839 
? 0.365516304614 ? -0.0347689724479 ? 0.275623878359 ? 1.60820574873 ? -0.209133425622 ? -1.38511740782  ? 3.86223001951 ? 
0.134732578375  ? 3.73378909312 ? 0.137450681592 ? 0.299671316343  ? -0.273245732396 ? -0.0351327174408 ? -0.23477224164  ? 
0.0603201875171 ? 0.129886646219  ? 0.0576199619689 ? 0.0947708202571  ? 
2 'X-RAY DIFFRACTION' ? refined -23.6512546036 6.64492298478  -17.551923218  0.282141851675 ? -0.0386492004846  ? 0.00540146813108 
? 0.235059641827 ? 0.0261933626101  ? 0.207215641547 ? 3.95412809318 ? 0.0270366506955 ? 0.274005426419  ? 2.18130257939 ? 
0.652879179751  ? 3.37165310511 ? 0.115396625401 ? 0.239762965763  ? 0.120077239418  ? 0.084339471152   ? -0.193627919935 ? 
0.150386527276  ? -0.421357387631 ? 0.0471186111416 ? 0.0891843834361  ? 
3 'X-RAY DIFFRACTION' ? refined -14.4727875784 -1.46697333079 -17.5059529366 0.256614319486 ? -0.0499725944112  ? -0.0697265638015 
? 0.358030702321 ? 0.0436890250229  ? 0.317470627531 ? 2.03777509497 ? 0.020806310253  ? -0.495124422765 ? 4.08454095527 ? 
-0.281517769005 ? 2.14875535745 ? 0.26251272901  ? -0.274352814867 ? -0.271902658453 ? 0.407826575834   ? -0.215098133692 ? 
-0.171372668019 ? 0.0138210881726 ? 0.35875483475   ? -0.0179286815426 ? 
4 'X-RAY DIFFRACTION' ? refined -14.2109787942 4.82912173856  -31.6310491709 0.368523444003 ? -0.0603856991045  ? 0.0437940387564  
? 0.501121324192 ? 0.0620128809299  ? 0.244233920585 ? 5.66172319995 ? 0.855679883946  ? 1.27481943543   ? 3.38780264627 ? 
4.57200710473   ? 6.21958707153 ? 0.468575322437 ? 0.850181568095  ? -0.289684534235 ? -0.676439582561  ? 0.0160565728759 ? 
-0.417857282387 ? 0.12640711385   ? -0.941064508564 ? -0.611611481654  ? 
# 
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 1  A 5  ? A 53  A 57  ? ? 
;chain 'A' and (resid 5 through 57 )
;
2 'X-RAY DIFFRACTION' 2 A 54 A 58 ? A 87  A 91  ? ? 
;chain 'A' and (resid 58 through 91 )
;
3 'X-RAY DIFFRACTION' 3 A 88 A 92 ? A 109 A 113 ? ? 
;chain 'A' and (resid 92 through 113 )
;
4 'X-RAY DIFFRACTION' 4 B 1  D 1  ? B 5   D 5   ? ? 
;chain 'D' and (resid 1 through 5 )
;
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
GLN N    N N N 74  
GLN CA   C N S 75  
GLN C    C N N 76  
GLN O    O N N 77  
GLN CB   C N N 78  
GLN CG   C N N 79  
GLN CD   C N N 80  
GLN OE1  O N N 81  
GLN NE2  N N N 82  
GLN OXT  O N N 83  
GLN H    H N N 84  
GLN H2   H N N 85  
GLN HA   H N N 86  
GLN HB2  H N N 87  
GLN HB3  H N N 88  
GLN HG2  H N N 89  
GLN HG3  H N N 90  
GLN HE21 H N N 91  
GLN HE22 H N N 92  
GLN HXT  H N N 93  
GLU N    N N N 94  
GLU CA   C N S 95  
GLU C    C N N 96  
GLU O    O N N 97  
GLU CB   C N N 98  
GLU CG   C N N 99  
GLU CD   C N N 100 
GLU OE1  O N N 101 
GLU OE2  O N N 102 
GLU OXT  O N N 103 
GLU H    H N N 104 
GLU H2   H N N 105 
GLU HA   H N N 106 
GLU HB2  H N N 107 
GLU HB3  H N N 108 
GLU HG2  H N N 109 
GLU HG3  H N N 110 
GLU HE2  H N N 111 
GLU HXT  H N N 112 
GLY N    N N N 113 
GLY CA   C N N 114 
GLY C    C N N 115 
GLY O    O N N 116 
GLY OXT  O N N 117 
GLY H    H N N 118 
GLY H2   H N N 119 
GLY HA2  H N N 120 
GLY HA3  H N N 121 
GLY HXT  H N N 122 
HIS N    N N N 123 
HIS CA   C N S 124 
HIS C    C N N 125 
HIS O    O N N 126 
HIS CB   C N N 127 
HIS CG   C Y N 128 
HIS ND1  N Y N 129 
HIS CD2  C Y N 130 
HIS CE1  C Y N 131 
HIS NE2  N Y N 132 
HIS OXT  O N N 133 
HIS H    H N N 134 
HIS H2   H N N 135 
HIS HA   H N N 136 
HIS HB2  H N N 137 
HIS HB3  H N N 138 
HIS HD1  H N N 139 
HIS HD2  H N N 140 
HIS HE1  H N N 141 
HIS HE2  H N N 142 
HIS HXT  H N N 143 
HOH O    O N N 144 
HOH H1   H N N 145 
HOH H2   H N N 146 
ILE N    N N N 147 
ILE CA   C N S 148 
ILE C    C N N 149 
ILE O    O N N 150 
ILE CB   C N S 151 
ILE CG1  C N N 152 
ILE CG2  C N N 153 
ILE CD1  C N N 154 
ILE OXT  O N N 155 
ILE H    H N N 156 
ILE H2   H N N 157 
ILE HA   H N N 158 
ILE HB   H N N 159 
ILE HG12 H N N 160 
ILE HG13 H N N 161 
ILE HG21 H N N 162 
ILE HG22 H N N 163 
ILE HG23 H N N 164 
ILE HD11 H N N 165 
ILE HD12 H N N 166 
ILE HD13 H N N 167 
ILE HXT  H N N 168 
LEU N    N N N 169 
LEU CA   C N S 170 
LEU C    C N N 171 
LEU O    O N N 172 
LEU CB   C N N 173 
LEU CG   C N N 174 
LEU CD1  C N N 175 
LEU CD2  C N N 176 
LEU OXT  O N N 177 
LEU H    H N N 178 
LEU H2   H N N 179 
LEU HA   H N N 180 
LEU HB2  H N N 181 
LEU HB3  H N N 182 
LEU HG   H N N 183 
LEU HD11 H N N 184 
LEU HD12 H N N 185 
LEU HD13 H N N 186 
LEU HD21 H N N 187 
LEU HD22 H N N 188 
LEU HD23 H N N 189 
LEU HXT  H N N 190 
LYS N    N N N 191 
LYS CA   C N S 192 
LYS C    C N N 193 
LYS O    O N N 194 
LYS CB   C N N 195 
LYS CG   C N N 196 
LYS CD   C N N 197 
LYS CE   C N N 198 
LYS NZ   N N N 199 
LYS OXT  O N N 200 
LYS H    H N N 201 
LYS H2   H N N 202 
LYS HA   H N N 203 
LYS HB2  H N N 204 
LYS HB3  H N N 205 
LYS HG2  H N N 206 
LYS HG3  H N N 207 
LYS HD2  H N N 208 
LYS HD3  H N N 209 
LYS HE2  H N N 210 
LYS HE3  H N N 211 
LYS HZ1  H N N 212 
LYS HZ2  H N N 213 
LYS HZ3  H N N 214 
LYS HXT  H N N 215 
MET N    N N N 216 
MET CA   C N S 217 
MET C    C N N 218 
MET O    O N N 219 
MET CB   C N N 220 
MET CG   C N N 221 
MET SD   S N N 222 
MET CE   C N N 223 
MET OXT  O N N 224 
MET H    H N N 225 
MET H2   H N N 226 
MET HA   H N N 227 
MET HB2  H N N 228 
MET HB3  H N N 229 
MET HG2  H N N 230 
MET HG3  H N N 231 
MET HE1  H N N 232 
MET HE2  H N N 233 
MET HE3  H N N 234 
MET HXT  H N N 235 
PHE N    N N N 236 
PHE CA   C N S 237 
PHE C    C N N 238 
PHE O    O N N 239 
PHE CB   C N N 240 
PHE CG   C Y N 241 
PHE CD1  C Y N 242 
PHE CD2  C Y N 243 
PHE CE1  C Y N 244 
PHE CE2  C Y N 245 
PHE CZ   C Y N 246 
PHE OXT  O N N 247 
PHE H    H N N 248 
PHE H2   H N N 249 
PHE HA   H N N 250 
PHE HB2  H N N 251 
PHE HB3  H N N 252 
PHE HD1  H N N 253 
PHE HD2  H N N 254 
PHE HE1  H N N 255 
PHE HE2  H N N 256 
PHE HZ   H N N 257 
PHE HXT  H N N 258 
PRO N    N N N 259 
PRO CA   C N S 260 
PRO C    C N N 261 
PRO O    O N N 262 
PRO CB   C N N 263 
PRO CG   C N N 264 
PRO CD   C N N 265 
PRO OXT  O N N 266 
PRO H    H N N 267 
PRO HA   H N N 268 
PRO HB2  H N N 269 
PRO HB3  H N N 270 
PRO HG2  H N N 271 
PRO HG3  H N N 272 
PRO HD2  H N N 273 
PRO HD3  H N N 274 
PRO HXT  H N N 275 
SER N    N N N 276 
SER CA   C N S 277 
SER C    C N N 278 
SER O    O N N 279 
SER CB   C N N 280 
SER OG   O N N 281 
SER OXT  O N N 282 
SER H    H N N 283 
SER H2   H N N 284 
SER HA   H N N 285 
SER HB2  H N N 286 
SER HB3  H N N 287 
SER HG   H N N 288 
SER HXT  H N N 289 
THR N    N N N 290 
THR CA   C N S 291 
THR C    C N N 292 
THR O    O N N 293 
THR CB   C N R 294 
THR OG1  O N N 295 
THR CG2  C N N 296 
THR OXT  O N N 297 
THR H    H N N 298 
THR H2   H N N 299 
THR HA   H N N 300 
THR HB   H N N 301 
THR HG1  H N N 302 
THR HG21 H N N 303 
THR HG22 H N N 304 
THR HG23 H N N 305 
THR HXT  H N N 306 
TRP N    N N N 307 
TRP CA   C N S 308 
TRP C    C N N 309 
TRP O    O N N 310 
TRP CB   C N N 311 
TRP CG   C Y N 312 
TRP CD1  C Y N 313 
TRP CD2  C Y N 314 
TRP NE1  N Y N 315 
TRP CE2  C Y N 316 
TRP CE3  C Y N 317 
TRP CZ2  C Y N 318 
TRP CZ3  C Y N 319 
TRP CH2  C Y N 320 
TRP OXT  O N N 321 
TRP H    H N N 322 
TRP H2   H N N 323 
TRP HA   H N N 324 
TRP HB2  H N N 325 
TRP HB3  H N N 326 
TRP HD1  H N N 327 
TRP HE1  H N N 328 
TRP HE3  H N N 329 
TRP HZ2  H N N 330 
TRP HZ3  H N N 331 
TRP HH2  H N N 332 
TRP HXT  H N N 333 
TYR N    N N N 334 
TYR CA   C N S 335 
TYR C    C N N 336 
TYR O    O N N 337 
TYR CB   C N N 338 
TYR CG   C Y N 339 
TYR CD1  C Y N 340 
TYR CD2  C Y N 341 
TYR CE1  C Y N 342 
TYR CE2  C Y N 343 
TYR CZ   C Y N 344 
TYR OH   O N N 345 
TYR OXT  O N N 346 
TYR H    H N N 347 
TYR H2   H N N 348 
TYR HA   H N N 349 
TYR HB2  H N N 350 
TYR HB3  H N N 351 
TYR HD1  H N N 352 
TYR HD2  H N N 353 
TYR HE1  H N N 354 
TYR HE2  H N N 355 
TYR HH   H N N 356 
TYR HXT  H N N 357 
VAL N    N N N 358 
VAL CA   C N S 359 
VAL C    C N N 360 
VAL O    O N N 361 
VAL CB   C N N 362 
VAL CG1  C N N 363 
VAL CG2  C N N 364 
VAL OXT  O N N 365 
VAL H    H N N 366 
VAL H2   H N N 367 
VAL HA   H N N 368 
VAL HB   H N N 369 
VAL HG11 H N N 370 
VAL HG12 H N N 371 
VAL HG13 H N N 372 
VAL HG21 H N N 373 
VAL HG22 H N N 374 
VAL HG23 H N N 375 
VAL HXT  H N N 376 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
GLN N   CA   sing N N 70  
GLN N   H    sing N N 71  
GLN N   H2   sing N N 72  
GLN CA  C    sing N N 73  
GLN CA  CB   sing N N 74  
GLN CA  HA   sing N N 75  
GLN C   O    doub N N 76  
GLN C   OXT  sing N N 77  
GLN CB  CG   sing N N 78  
GLN CB  HB2  sing N N 79  
GLN CB  HB3  sing N N 80  
GLN CG  CD   sing N N 81  
GLN CG  HG2  sing N N 82  
GLN CG  HG3  sing N N 83  
GLN CD  OE1  doub N N 84  
GLN CD  NE2  sing N N 85  
GLN NE2 HE21 sing N N 86  
GLN NE2 HE22 sing N N 87  
GLN OXT HXT  sing N N 88  
GLU N   CA   sing N N 89  
GLU N   H    sing N N 90  
GLU N   H2   sing N N 91  
GLU CA  C    sing N N 92  
GLU CA  CB   sing N N 93  
GLU CA  HA   sing N N 94  
GLU C   O    doub N N 95  
GLU C   OXT  sing N N 96  
GLU CB  CG   sing N N 97  
GLU CB  HB2  sing N N 98  
GLU CB  HB3  sing N N 99  
GLU CG  CD   sing N N 100 
GLU CG  HG2  sing N N 101 
GLU CG  HG3  sing N N 102 
GLU CD  OE1  doub N N 103 
GLU CD  OE2  sing N N 104 
GLU OE2 HE2  sing N N 105 
GLU OXT HXT  sing N N 106 
GLY N   CA   sing N N 107 
GLY N   H    sing N N 108 
GLY N   H2   sing N N 109 
GLY CA  C    sing N N 110 
GLY CA  HA2  sing N N 111 
GLY CA  HA3  sing N N 112 
GLY C   O    doub N N 113 
GLY C   OXT  sing N N 114 
GLY OXT HXT  sing N N 115 
HIS N   CA   sing N N 116 
HIS N   H    sing N N 117 
HIS N   H2   sing N N 118 
HIS CA  C    sing N N 119 
HIS CA  CB   sing N N 120 
HIS CA  HA   sing N N 121 
HIS C   O    doub N N 122 
HIS C   OXT  sing N N 123 
HIS CB  CG   sing N N 124 
HIS CB  HB2  sing N N 125 
HIS CB  HB3  sing N N 126 
HIS CG  ND1  sing Y N 127 
HIS CG  CD2  doub Y N 128 
HIS ND1 CE1  doub Y N 129 
HIS ND1 HD1  sing N N 130 
HIS CD2 NE2  sing Y N 131 
HIS CD2 HD2  sing N N 132 
HIS CE1 NE2  sing Y N 133 
HIS CE1 HE1  sing N N 134 
HIS NE2 HE2  sing N N 135 
HIS OXT HXT  sing N N 136 
HOH O   H1   sing N N 137 
HOH O   H2   sing N N 138 
ILE N   CA   sing N N 139 
ILE N   H    sing N N 140 
ILE N   H2   sing N N 141 
ILE CA  C    sing N N 142 
ILE CA  CB   sing N N 143 
ILE CA  HA   sing N N 144 
ILE C   O    doub N N 145 
ILE C   OXT  sing N N 146 
ILE CB  CG1  sing N N 147 
ILE CB  CG2  sing N N 148 
ILE CB  HB   sing N N 149 
ILE CG1 CD1  sing N N 150 
ILE CG1 HG12 sing N N 151 
ILE CG1 HG13 sing N N 152 
ILE CG2 HG21 sing N N 153 
ILE CG2 HG22 sing N N 154 
ILE CG2 HG23 sing N N 155 
ILE CD1 HD11 sing N N 156 
ILE CD1 HD12 sing N N 157 
ILE CD1 HD13 sing N N 158 
ILE OXT HXT  sing N N 159 
LEU N   CA   sing N N 160 
LEU N   H    sing N N 161 
LEU N   H2   sing N N 162 
LEU CA  C    sing N N 163 
LEU CA  CB   sing N N 164 
LEU CA  HA   sing N N 165 
LEU C   O    doub N N 166 
LEU C   OXT  sing N N 167 
LEU CB  CG   sing N N 168 
LEU CB  HB2  sing N N 169 
LEU CB  HB3  sing N N 170 
LEU CG  CD1  sing N N 171 
LEU CG  CD2  sing N N 172 
LEU CG  HG   sing N N 173 
LEU CD1 HD11 sing N N 174 
LEU CD1 HD12 sing N N 175 
LEU CD1 HD13 sing N N 176 
LEU CD2 HD21 sing N N 177 
LEU CD2 HD22 sing N N 178 
LEU CD2 HD23 sing N N 179 
LEU OXT HXT  sing N N 180 
LYS N   CA   sing N N 181 
LYS N   H    sing N N 182 
LYS N   H2   sing N N 183 
LYS CA  C    sing N N 184 
LYS CA  CB   sing N N 185 
LYS CA  HA   sing N N 186 
LYS C   O    doub N N 187 
LYS C   OXT  sing N N 188 
LYS CB  CG   sing N N 189 
LYS CB  HB2  sing N N 190 
LYS CB  HB3  sing N N 191 
LYS CG  CD   sing N N 192 
LYS CG  HG2  sing N N 193 
LYS CG  HG3  sing N N 194 
LYS CD  CE   sing N N 195 
LYS CD  HD2  sing N N 196 
LYS CD  HD3  sing N N 197 
LYS CE  NZ   sing N N 198 
LYS CE  HE2  sing N N 199 
LYS CE  HE3  sing N N 200 
LYS NZ  HZ1  sing N N 201 
LYS NZ  HZ2  sing N N 202 
LYS NZ  HZ3  sing N N 203 
LYS OXT HXT  sing N N 204 
MET N   CA   sing N N 205 
MET N   H    sing N N 206 
MET N   H2   sing N N 207 
MET CA  C    sing N N 208 
MET CA  CB   sing N N 209 
MET CA  HA   sing N N 210 
MET C   O    doub N N 211 
MET C   OXT  sing N N 212 
MET CB  CG   sing N N 213 
MET CB  HB2  sing N N 214 
MET CB  HB3  sing N N 215 
MET CG  SD   sing N N 216 
MET CG  HG2  sing N N 217 
MET CG  HG3  sing N N 218 
MET SD  CE   sing N N 219 
MET CE  HE1  sing N N 220 
MET CE  HE2  sing N N 221 
MET CE  HE3  sing N N 222 
MET OXT HXT  sing N N 223 
PHE N   CA   sing N N 224 
PHE N   H    sing N N 225 
PHE N   H2   sing N N 226 
PHE CA  C    sing N N 227 
PHE CA  CB   sing N N 228 
PHE CA  HA   sing N N 229 
PHE C   O    doub N N 230 
PHE C   OXT  sing N N 231 
PHE CB  CG   sing N N 232 
PHE CB  HB2  sing N N 233 
PHE CB  HB3  sing N N 234 
PHE CG  CD1  doub Y N 235 
PHE CG  CD2  sing Y N 236 
PHE CD1 CE1  sing Y N 237 
PHE CD1 HD1  sing N N 238 
PHE CD2 CE2  doub Y N 239 
PHE CD2 HD2  sing N N 240 
PHE CE1 CZ   doub Y N 241 
PHE CE1 HE1  sing N N 242 
PHE CE2 CZ   sing Y N 243 
PHE CE2 HE2  sing N N 244 
PHE CZ  HZ   sing N N 245 
PHE OXT HXT  sing N N 246 
PRO N   CA   sing N N 247 
PRO N   CD   sing N N 248 
PRO N   H    sing N N 249 
PRO CA  C    sing N N 250 
PRO CA  CB   sing N N 251 
PRO CA  HA   sing N N 252 
PRO C   O    doub N N 253 
PRO C   OXT  sing N N 254 
PRO CB  CG   sing N N 255 
PRO CB  HB2  sing N N 256 
PRO CB  HB3  sing N N 257 
PRO CG  CD   sing N N 258 
PRO CG  HG2  sing N N 259 
PRO CG  HG3  sing N N 260 
PRO CD  HD2  sing N N 261 
PRO CD  HD3  sing N N 262 
PRO OXT HXT  sing N N 263 
SER N   CA   sing N N 264 
SER N   H    sing N N 265 
SER N   H2   sing N N 266 
SER CA  C    sing N N 267 
SER CA  CB   sing N N 268 
SER CA  HA   sing N N 269 
SER C   O    doub N N 270 
SER C   OXT  sing N N 271 
SER CB  OG   sing N N 272 
SER CB  HB2  sing N N 273 
SER CB  HB3  sing N N 274 
SER OG  HG   sing N N 275 
SER OXT HXT  sing N N 276 
THR N   CA   sing N N 277 
THR N   H    sing N N 278 
THR N   H2   sing N N 279 
THR CA  C    sing N N 280 
THR CA  CB   sing N N 281 
THR CA  HA   sing N N 282 
THR C   O    doub N N 283 
THR C   OXT  sing N N 284 
THR CB  OG1  sing N N 285 
THR CB  CG2  sing N N 286 
THR CB  HB   sing N N 287 
THR OG1 HG1  sing N N 288 
THR CG2 HG21 sing N N 289 
THR CG2 HG22 sing N N 290 
THR CG2 HG23 sing N N 291 
THR OXT HXT  sing N N 292 
TRP N   CA   sing N N 293 
TRP N   H    sing N N 294 
TRP N   H2   sing N N 295 
TRP CA  C    sing N N 296 
TRP CA  CB   sing N N 297 
TRP CA  HA   sing N N 298 
TRP C   O    doub N N 299 
TRP C   OXT  sing N N 300 
TRP CB  CG   sing N N 301 
TRP CB  HB2  sing N N 302 
TRP CB  HB3  sing N N 303 
TRP CG  CD1  doub Y N 304 
TRP CG  CD2  sing Y N 305 
TRP CD1 NE1  sing Y N 306 
TRP CD1 HD1  sing N N 307 
TRP CD2 CE2  doub Y N 308 
TRP CD2 CE3  sing Y N 309 
TRP NE1 CE2  sing Y N 310 
TRP NE1 HE1  sing N N 311 
TRP CE2 CZ2  sing Y N 312 
TRP CE3 CZ3  doub Y N 313 
TRP CE3 HE3  sing N N 314 
TRP CZ2 CH2  doub Y N 315 
TRP CZ2 HZ2  sing N N 316 
TRP CZ3 CH2  sing Y N 317 
TRP CZ3 HZ3  sing N N 318 
TRP CH2 HH2  sing N N 319 
TRP OXT HXT  sing N N 320 
TYR N   CA   sing N N 321 
TYR N   H    sing N N 322 
TYR N   H2   sing N N 323 
TYR CA  C    sing N N 324 
TYR CA  CB   sing N N 325 
TYR CA  HA   sing N N 326 
TYR C   O    doub N N 327 
TYR C   OXT  sing N N 328 
TYR CB  CG   sing N N 329 
TYR CB  HB2  sing N N 330 
TYR CB  HB3  sing N N 331 
TYR CG  CD1  doub Y N 332 
TYR CG  CD2  sing Y N 333 
TYR CD1 CE1  sing Y N 334 
TYR CD1 HD1  sing N N 335 
TYR CD2 CE2  doub Y N 336 
TYR CD2 HD2  sing N N 337 
TYR CE1 CZ   doub Y N 338 
TYR CE1 HE1  sing N N 339 
TYR CE2 CZ   sing Y N 340 
TYR CE2 HE2  sing N N 341 
TYR CZ  OH   sing N N 342 
TYR OH  HH   sing N N 343 
TYR OXT HXT  sing N N 344 
VAL N   CA   sing N N 345 
VAL N   H    sing N N 346 
VAL N   H2   sing N N 347 
VAL CA  C    sing N N 348 
VAL CA  CB   sing N N 349 
VAL CA  HA   sing N N 350 
VAL C   O    doub N N 351 
VAL C   OXT  sing N N 352 
VAL CB  CG1  sing N N 353 
VAL CB  CG2  sing N N 354 
VAL CB  HB   sing N N 355 
VAL CG1 HG11 sing N N 356 
VAL CG1 HG12 sing N N 357 
VAL CG1 HG13 sing N N 358 
VAL CG2 HG21 sing N N 359 
VAL CG2 HG22 sing N N 360 
VAL CG2 HG23 sing N N 361 
VAL OXT HXT  sing N N 362 
# 
_pdbx_audit_support.funding_organization   'European Research Council (ERC)' 
_pdbx_audit_support.country                'European Union' 
_pdbx_audit_support.grant_number           101000981 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   2 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   5L83 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'P 32' 
_space_group.name_Hall        'P 32' 
_space_group.IT_number        145 
_space_group.crystal_system   trigonal 
_space_group.id               1 
# 
_atom_sites.entry_id                    9F2M 
_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]   0.027601 
_atom_sites.fract_transf_matrix[1][2]   0.015936 
_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]   0.031871 
_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]   0.014370 
_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.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . SER A 1 1   ? -22.69989 -10.08515 -25.22013 1.000 39.55800 ? 5   SER A N   1 
ATOM   2    C CA  . SER A 1 1   ? -22.59380 -10.68287 -26.54123 1.000 38.06854 ? 5   SER A CA  1 
ATOM   3    C C   . SER A 1 1   ? -21.36188 -10.26731 -27.29978 1.000 35.79173 ? 5   SER A C   1 
ATOM   4    O O   . SER A 1 1   ? -21.02577 -10.94149 -28.24808 1.000 35.51331 ? 5   SER A O   1 
ATOM   5    C CB  . SER A 1 1   ? -23.81307 -10.38118 -27.41964 1.000 36.29421 ? 5   SER A CB  1 
ATOM   6    O OG  . SER A 1 1   ? -25.02597 -10.52212 -26.69611 1.000 43.89437 ? 5   SER A OG  1 
ATOM   7    N N   . PHE A 1 2   ? -20.69604 -9.18166  -26.90102 1.000 33.62076 ? 6   PHE A N   1 
ATOM   8    C CA  . PHE A 1 2   ? -19.42501 -8.83426  -27.51811 1.000 34.58437 ? 6   PHE A CA  1 
ATOM   9    C C   . PHE A 1 2   ? -18.45696 -9.99994  -27.41578 1.000 34.13066 ? 6   PHE A C   1 
ATOM   10   O O   . PHE A 1 2   ? -17.85228 -10.41026 -28.41101 1.000 35.24664 ? 6   PHE A O   1 
ATOM   11   C CB  . PHE A 1 2   ? -18.78579 -7.58016  -26.87298 1.000 31.52389 ? 6   PHE A CB  1 
ATOM   12   C CG  . PHE A 1 2   ? -17.55790 -7.10102  -27.63712 1.000 32.29171 ? 6   PHE A CG  1 
ATOM   13   C CD1 . PHE A 1 2   ? -17.70586 -6.35024  -28.78757 1.000 33.95046 ? 6   PHE A CD1 1 
ATOM   14   C CD2 . PHE A 1 2   ? -16.28834 -7.50098  -27.28207 1.000 31.07366 ? 6   PHE A CD2 1 
ATOM   15   C CE1 . PHE A 1 2   ? -16.57118 -5.95241  -29.53191 1.000 35.86069 ? 6   PHE A CE1 1 
ATOM   16   C CE2 . PHE A 1 2   ? -15.15844 -7.10945  -28.02761 1.000 31.56091 ? 6   PHE A CE2 1 
ATOM   17   C CZ  . PHE A 1 2   ? -15.33712 -6.32193  -29.15268 1.000 33.96786 ? 6   PHE A CZ  1 
ATOM   18   N N   . LYS A 1 3   ? -18.28093 -10.53004 -26.19787 1.000 33.68320 ? 7   LYS A N   1 
ATOM   19   C CA  . LYS A 1 3   ? -17.38485 -11.66164 -26.00297 1.000 33.95097 ? 7   LYS A CA  1 
ATOM   20   C C   . LYS A 1 3   ? -17.83984 -12.86936 -26.79737 1.000 35.57132 ? 7   LYS A C   1 
ATOM   21   O O   . LYS A 1 3   ? -17.00745 -13.63019 -27.30701 1.000 36.70234 ? 7   LYS A O   1 
ATOM   22   C CB  . LYS A 1 3   ? -17.30989 -12.02200 -24.52913 1.000 34.31440 ? 7   LYS A CB  1 
ATOM   23   C CG  . LYS A 1 3   ? -16.54546 -10.98944 -23.74478 1.000 32.50805 ? 7   LYS A CG  1 
ATOM   24   C CD  . LYS A 1 3   ? -16.31858 -11.48520 -22.35225 1.000 32.68830 ? 7   LYS A CD  1 
ATOM   25   C CE  . LYS A 1 3   ? -15.17044 -10.73423 -21.68691 1.000 32.62106 ? 7   LYS A CE  1 
ATOM   26   N NZ  . LYS A 1 3   ? -15.12489 -11.13989 -20.24209 1.000 37.67070 ? 7   LYS A NZ  1 
ATOM   27   N N   . LYS A 1 4   ? -19.15303 -13.07938 -26.90650 1.000 35.44690 ? 8   LYS A N   1 
ATOM   28   C CA  . LYS A 1 4   ? -19.62517 -14.24255 -27.65126 1.000 35.62912 ? 8   LYS A CA  1 
ATOM   29   C C   . LYS A 1 4   ? -19.38105 -14.08984 -29.14060 1.000 36.14393 ? 8   LYS A C   1 
ATOM   30   O O   . LYS A 1 4   ? -19.18400 -15.10753 -29.84236 1.000 37.96998 ? 8   LYS A O   1 
ATOM   31   C CB  . LYS A 1 4   ? -21.11178 -14.48886 -27.39745 1.000 36.87630 ? 8   LYS A CB  1 
ATOM   32   C CG  . LYS A 1 4   ? -21.47970 -15.08814 -26.03723 1.000 41.12052 ? 8   LYS A CG  1 
ATOM   33   C CD  . LYS A 1 4   ? -22.96962 -15.46306 -25.95292 1.000 50.07106 ? 8   LYS A CD  1 
ATOM   34   C CE  . LYS A 1 4   ? -23.37253 -15.98428 -24.55823 1.000 58.32466 ? 8   LYS A CE  1 
ATOM   35   N NZ  . LYS A 1 4   ? -24.34263 -15.09849 -23.81945 1.000 57.30536 ? 8   LYS A NZ  1 
ATOM   36   N N   . GLU A 1 5   ? -19.44309 -12.84877 -29.65522 1.000 34.85912 ? 9   GLU A N   1 
ATOM   37   C CA  . GLU A 1 5   ? -19.30229 -12.59064 -31.08463 1.000 35.53046 ? 9   GLU A CA  1 
ATOM   38   C C   . GLU A 1 5   ? -17.85378 -12.50404 -31.56565 1.000 35.77997 ? 9   GLU A C   1 
ATOM   39   O O   . GLU A 1 5   ? -17.63714 -12.58944 -32.79211 1.000 36.11094 ? 9   GLU A O   1 
ATOM   40   C CB  . GLU A 1 5   ? -20.08335 -11.30597 -31.47732 1.000 35.84999 ? 9   GLU A CB  1 
ATOM   41   C CG  . GLU A 1 5   ? -21.63013 -11.48539 -31.30238 1.000 37.85920 ? 9   GLU A CG  1 
ATOM   42   C CD  . GLU A 1 5   ? -22.50291 -10.24854 -31.65972 1.000 43.34678 ? 9   GLU A CD  1 
ATOM   43   O OE1 . GLU A 1 5   ? -21.91835 -9.22579  -32.08853 1.000 42.60886 ? 9   GLU A OE1 1 
ATOM   44   O OE2 . GLU A 1 5   ? -23.75736 -10.34103 -31.49826 1.000 45.55002 ? 9   GLU A OE2 1 
ATOM   45   N N   . HIS A 1 6   ? -16.86937 -12.41280 -30.65561 1.000 34.88682 ? 10  HIS A N   1 
ATOM   46   C CA  . HIS A 1 6   ? -15.44966 -12.30167 -31.00922 1.000 37.16846 ? 10  HIS A CA  1 
ATOM   47   C C   . HIS A 1 6   ? -14.62469 -13.26790 -30.16638 1.000 37.95218 ? 10  HIS A C   1 
ATOM   48   O O   . HIS A 1 6   ? -14.62655 -13.14848 -28.92201 1.000 37.33826 ? 10  HIS A O   1 
ATOM   49   C CB  . HIS A 1 6   ? -14.93840 -10.86959 -30.78478 1.000 38.54306 ? 10  HIS A CB  1 
ATOM   50   C CG  . HIS A 1 6   ? -15.72877 -9.83292  -31.53196 1.000 38.92088 ? 10  HIS A CG  1 
ATOM   51   N ND1 . HIS A 1 6   ? -16.72972 -9.09138  -30.94150 1.000 37.58242 ? 10  HIS A ND1 1 
ATOM   52   C CD2 . HIS A 1 6   ? -15.69260 -9.44760  -32.82846 1.000 41.40297 ? 10  HIS A CD2 1 
ATOM   53   C CE1 . HIS A 1 6   ? -17.27007 -8.28575  -31.83943 1.000 37.59597 ? 10  HIS A CE1 1 
ATOM   54   N NE2 . HIS A 1 6   ? -16.63397 -8.45825  -32.98108 1.000 41.13835 ? 10  HIS A NE2 1 
ATOM   55   N N   . PRO A 1 7   ? -13.87093 -14.18495 -30.77347 1.000 39.43765 ? 11  PRO A N   1 
ATOM   56   C CA  . PRO A 1 7   ? -13.05813 -15.12352 -29.97172 1.000 39.79657 ? 11  PRO A CA  1 
ATOM   57   C C   . PRO A 1 7   ? -12.05723 -14.40841 -29.06024 1.000 38.06825 ? 11  PRO A C   1 
ATOM   58   O O   . PRO A 1 7   ? -11.52842 -13.34950 -29.37672 1.000 37.35195 ? 11  PRO A O   1 
ATOM   59   C CB  . PRO A 1 7   ? -12.33086 -15.98597 -31.02977 1.000 42.45189 ? 11  PRO A CB  1 
ATOM   60   C CG  . PRO A 1 7   ? -12.96833 -15.66064 -32.37948 1.000 45.36577 ? 11  PRO A CG  1 
ATOM   61   C CD  . PRO A 1 7   ? -13.62292 -14.29216 -32.22107 1.000 41.63838 ? 11  PRO A CD  1 
ATOM   62   N N   . LEU A 1 8   ? -11.78093 -15.03558 -27.91097 1.000 37.44721 ? 12  LEU A N   1 
ATOM   63   C CA  . LEU A 1 8   ? -10.83856 -14.46712 -26.95775 1.000 37.29106 ? 12  LEU A CA  1 
ATOM   64   C C   . LEU A 1 8   ? -9.49068  -14.19144 -27.59060 1.000 38.42723 ? 12  LEU A C   1 
ATOM   65   O O   . LEU A 1 8   ? -8.79336  -13.24036 -27.19748 1.000 37.75957 ? 12  LEU A O   1 
ATOM   66   C CB  . LEU A 1 8   ? -10.66507 -15.43037 -25.77867 1.000 38.76599 ? 12  LEU A CB  1 
ATOM   67   C CG  . LEU A 1 8   ? -9.55921  -15.14494 -24.76879 1.000 36.51942 ? 12  LEU A CG  1 
ATOM   68   C CD1 . LEU A 1 8   ? -9.82939  -13.84135 -24.08759 1.000 39.14284 ? 12  LEU A CD1 1 
ATOM   69   C CD2 . LEU A 1 8   ? -9.53158  -16.31374 -23.75696 1.000 38.92304 ? 12  LEU A CD2 1 
ATOM   70   N N   . GLU A 1 9   ? -9.09390  -15.03475 -28.54548 1.000 38.02622 ? 13  GLU A N   1 
ATOM   71   C CA  . GLU A 1 9   ? -7.84547  -14.81840 -29.27122 1.000 40.74814 ? 13  GLU A CA  1 
ATOM   72   C C   . GLU A 1 9   ? -7.84168  -13.45564 -29.94941 1.000 39.40172 ? 13  GLU A C   1 
ATOM   73   O O   . GLU A 1 9   ? -6.88514  -12.67696 -29.82736 1.000 38.94707 ? 13  GLU A O   1 
ATOM   74   C CB  . GLU A 1 9   ? -7.64628  -15.91939 -30.32051 1.000 40.83008 ? 13  GLU A CB  1 
ATOM   75   C CG  . GLU A 1 9   ? -6.29878  -15.82717 -30.98186 1.000 46.57635 ? 13  GLU A CG  1 
ATOM   76   C CD  . GLU A 1 9   ? -5.32024  -16.81988 -30.39349 1.000 51.89166 ? 13  GLU A CD  1 
ATOM   77   O OE1 . GLU A 1 9   ? -5.62250  -18.03338 -30.49511 1.000 52.78701 ? 13  GLU A OE1 1 
ATOM   78   O OE2 . GLU A 1 9   ? -4.27638  -16.39999 -29.81179 1.000 54.00837 ? 13  GLU A OE2 1 
ATOM   79   N N   . LYS A 1 10  ? -8.90300  -13.15258 -30.66994 1.000 38.84287 ? 14  LYS A N   1 
ATOM   80   C CA  . LYS A 1 10  ? -8.93108  -11.89757 -31.40904 1.000 38.15888 ? 14  LYS A CA  1 
ATOM   81   C C   . LYS A 1 10  ? -9.15503  -10.69836 -30.49845 1.000 38.21788 ? 14  LYS A C   1 
ATOM   82   O O   . LYS A 1 10  ? -8.64533  -9.60864  -30.76961 1.000 38.18680 ? 14  LYS A O   1 
ATOM   83   C CB  . LYS A 1 10  ? -10.01375 -11.96378 -32.48732 1.000 41.27099 ? 14  LYS A CB  1 
ATOM   84   C CG  . LYS A 1 10  ? -9.68543  -12.95206 -33.61893 1.000 47.23818 ? 14  LYS A CG  1 
ATOM   85   C CD  . LYS A 1 10  ? -10.62164 -12.80450 -34.83525 1.000 52.39046 ? 14  LYS A CD  1 
ATOM   86   C CE  . LYS A 1 10  ? -10.55854 -11.39247 -35.43865 1.000 59.04273 ? 14  LYS A CE  1 
ATOM   87   N NZ  . LYS A 1 10  ? -9.42057  -11.15897 -36.39187 1.000 58.68495 ? 14  LYS A NZ  1 
ATOM   88   N N   . ARG A 1 11  ? -9.90228  -10.86112 -29.41076 1.000 36.60208 ? 15  ARG A N   1 
ATOM   89   C CA  . ARG A 1 11  ? -10.08592 -9.73791  -28.50275 1.000 35.82811 ? 15  ARG A CA  1 
ATOM   90   C C   . ARG A 1 11  ? -8.75974  -9.30525  -27.89690 1.000 37.09624 ? 15  ARG A C   1 
ATOM   91   O O   . ARG A 1 11  ? -8.42844  -8.11589  -27.89255 1.000 36.45967 ? 15  ARG A O   1 
ATOM   92   C CB  . ARG A 1 11  ? -11.11140 -10.11494 -27.43538 1.000 34.86171 ? 15  ARG A CB  1 
ATOM   93   C CG  . ARG A 1 11  ? -12.51878 -10.02758 -28.00015 1.000 34.71779 ? 15  ARG A CG  1 
ATOM   94   C CD  . ARG A 1 11  ? -13.53607 -10.38299 -26.99773 1.000 36.04598 ? 15  ARG A CD  1 
ATOM   95   N NE  . ARG A 1 11  ? -13.71372 -11.81725 -26.81803 1.000 35.45236 ? 15  ARG A NE  1 
ATOM   96   C CZ  . ARG A 1 11  ? -13.53354 -12.42917 -25.65904 1.000 36.37255 ? 15  ARG A CZ  1 
ATOM   97   N NH1 . ARG A 1 11  ? -12.96071 -11.81275 -24.63665 1.000 35.36107 ? 15  ARG A NH1 1 
ATOM   98   N NH2 . ARG A 1 11  ? -13.98986 -13.66561 -25.50399 1.000 37.09770 ? 15  ARG A NH2 1 
ATOM   99   N N   . GLN A 1 12  ? -7.97384  -10.27218 -27.40616 1.000 38.03252 ? 16  GLN A N   1 
ATOM   100  C CA  . GLN A 1 12  ? -6.70284  -9.96889  -26.77096 1.000 38.85492 ? 16  GLN A CA  1 
ATOM   101  C C   . GLN A 1 12  ? -5.78574  -9.20149  -27.71112 1.000 38.64398 ? 16  GLN A C   1 
ATOM   102  O O   . GLN A 1 12  ? -5.13951  -8.22938  -27.30539 1.000 39.69678 ? 16  GLN A O   1 
ATOM   103  C CB  . GLN A 1 12  ? -6.06282  -11.28414 -26.32623 1.000 40.31118 ? 16  GLN A CB  1 
ATOM   104  C CG  . GLN A 1 12  ? -5.16352  -11.18850 -25.15339 1.000 46.38684 ? 16  GLN A CG  1 
ATOM   105  C CD  . GLN A 1 12  ? -4.35577  -12.45771 -24.97676 1.000 53.62773 ? 16  GLN A CD  1 
ATOM   106  O OE1 . GLN A 1 12  ? -4.38665  -13.37816 -25.82931 1.000 49.58056 ? 16  GLN A OE1 1 
ATOM   107  N NE2 . GLN A 1 12  ? -3.60022  -12.51407 -23.88076 1.000 56.94122 ? 16  GLN A NE2 1 
ATOM   108  N N   . ALA A 1 13  ? -5.73534  -9.61814  -28.97873 1.000 38.91673 ? 17  ALA A N   1 
ATOM   109  C CA  . ALA A 1 13  ? -4.79439  -9.04294  -29.94125 1.000 38.71009 ? 17  ALA A CA  1 
ATOM   110  C C   . ALA A 1 13  ? -5.14775  -7.59989  -30.28271 1.000 39.99074 ? 17  ALA A C   1 
ATOM   111  O O   . ALA A 1 13  ? -4.25081  -6.75586  -30.45141 1.000 39.94128 ? 17  ALA A O   1 
ATOM   112  C CB  . ALA A 1 13  ? -4.75052  -9.90492  -31.19337 1.000 42.35537 ? 17  ALA A CB  1 
ATOM   113  N N   . GLU A 1 14  ? -6.44611  -7.29648  -30.41027 1.000 37.41708 ? 18  GLU A N   1 
ATOM   114  C CA  . GLU A 1 14  ? -6.85784  -5.93327  -30.73252 1.000 39.36779 ? 18  GLU A CA  1 
ATOM   115  C C   . GLU A 1 14  ? -6.59943  -4.99849  -29.57002 1.000 36.88096 ? 18  GLU A C   1 
ATOM   116  O O   . GLU A 1 14  ? -6.14522  -3.88411  -29.77280 1.000 37.31925 ? 18  GLU A O   1 
ATOM   117  C CB  . GLU A 1 14  ? -8.34228  -5.85438  -31.10389 1.000 38.72695 ? 18  GLU A CB  1 
ATOM   118  C CG  . GLU A 1 14  ? -8.78504  -4.41865  -31.26570 1.000 40.39034 ? 18  GLU A CG  1 
ATOM   119  C CD  . GLU A 1 14  ? -10.03335 -4.26173  -32.13602 1.000 49.95896 ? 18  GLU A CD  1 
ATOM   120  O OE1 . GLU A 1 14  ? -10.93137 -5.14481  -32.06449 1.000 52.24635 ? 18  GLU A OE1 1 
ATOM   121  O OE2 . GLU A 1 14  ? -10.08477 -3.25758  -32.89340 1.000 45.94520 ? 18  GLU A OE2 1 
ATOM   122  N N   . ALA A 1 15  ? -6.83681  -5.45457  -28.33533 1.000 36.14608 ? 19  ALA A N   1 
ATOM   123  C CA  . ALA A 1 15  ? -6.53770  -4.61884  -27.17884 1.000 36.37722 ? 19  ALA A CA  1 
ATOM   124  C C   . ALA A 1 15  ? -5.05454  -4.26733  -27.11066 1.000 38.36798 ? 19  ALA A C   1 
ATOM   125  O O   . ALA A 1 15  ? -4.68349  -3.14548  -26.72114 1.000 37.51929 ? 19  ALA A O   1 
ATOM   126  C CB  . ALA A 1 15  ? -6.95479  -5.32790  -25.90345 1.000 34.70380 ? 19  ALA A CB  1 
ATOM   127  N N   . SER A 1 16  ? -4.17647  -5.23142  -27.43060 1.000 39.74241 ? 20  SER A N   1 
ATOM   128  C CA  . SER A 1 16  ? -2.74192  -4.95412  -27.36048 1.000 39.54941 ? 20  SER A CA  1 
ATOM   129  C C   . SER A 1 16  ? -2.34592  -3.86251  -28.34370 1.000 39.00397 ? 20  SER A C   1 
ATOM   130  O O   . SER A 1 16  ? -1.51811  -3.01139  -28.02070 1.000 39.31454 ? 20  SER A O   1 
ATOM   131  C CB  . SER A 1 16  ? -1.92521  -6.23272  -27.63752 1.000 44.52618 ? 20  SER A CB  1 
ATOM   132  O OG  . SER A 1 16  ? -2.39956  -7.31424  -26.83961 1.000 55.61195 ? 20  SER A OG  1 
ATOM   133  N N   . ARG A 1 17  ? -2.93077  -3.86818  -29.54814 1.000 38.51194 ? 21  ARG A N   1 
ATOM   134  C CA  . ARG A 1 17  ? -2.60600  -2.86455  -30.56621 1.000 38.03216 ? 21  ARG A CA  1 
ATOM   135  C C   . ARG A 1 17  ? -3.00774  -1.46927  -30.11417 1.000 37.61966 ? 21  ARG A C   1 
ATOM   136  O O   . ARG A 1 17  ? -2.25108  -0.49895  -30.26631 1.000 36.42653 ? 21  ARG A O   1 
ATOM   137  C CB  . ARG A 1 17  ? -3.34657  -3.18687  -31.87542 1.000 40.69192 ? 21  ARG A CB  1 
ATOM   138  C CG  . ARG A 1 17  ? -2.56641  -4.00322  -32.86090 1.000 41.63595 ? 21  ARG A CG  1 
ATOM   139  C CD  . ARG A 1 17  ? -3.22505  -4.11132  -34.23877 1.000 43.36183 ? 21  ARG A CD  1 
ATOM   140  N NE  . ARG A 1 17  ? -4.66221  -4.40234  -34.22469 1.000 42.59141 ? 21  ARG A NE  1 
ATOM   141  C CZ  . ARG A 1 17  ? -5.19994  -5.61817  -34.15591 1.000 44.98433 ? 21  ARG A CZ  1 
ATOM   142  N NH1 . ARG A 1 17  ? -4.44673  -6.71411  -34.06551 1.000 45.20835 ? 21  ARG A NH1 1 
ATOM   143  N NH2 . ARG A 1 17  ? -6.52968  -5.74311  -34.20008 1.000 45.08489 ? 21  ARG A NH2 1 
ATOM   144  N N   . ILE A 1 18  ? -4.22814  -1.35387  -29.59550 1.000 35.54550 ? 22  ILE A N   1 
ATOM   145  C CA  . ILE A 1 18  ? -4.76679  -0.07278  -29.16865 1.000 35.58812 ? 22  ILE A CA  1 
ATOM   146  C C   . ILE A 1 18  ? -3.97175  0.50365   -28.01245 1.000 35.86714 ? 22  ILE A C   1 
ATOM   147  O O   . ILE A 1 18  ? -3.74581  1.71705   -27.95089 1.000 36.10483 ? 22  ILE A O   1 
ATOM   148  C CB  . ILE A 1 18  ? -6.25851  -0.24516  -28.82057 1.000 36.26843 ? 22  ILE A CB  1 
ATOM   149  C CG1 . ILE A 1 18  ? -7.03192  -0.53351  -30.07084 1.000 36.56240 ? 22  ILE A CG1 1 
ATOM   150  C CG2 . ILE A 1 18  ? -6.82362  0.98230   -28.16895 1.000 35.51792 ? 22  ILE A CG2 1 
ATOM   151  C CD1 . ILE A 1 18  ? -7.02106  0.66908   -31.05995 1.000 37.35206 ? 22  ILE A CD1 1 
ATOM   152  N N   . ARG A 1 19  ? -3.54574  -0.33623  -27.05983 1.000 36.22040 ? 23  ARG A N   1 
ATOM   153  C CA  . ARG A 1 19  ? -2.81210  0.21273   -25.92566 1.000 39.28771 ? 23  ARG A CA  1 
ATOM   154  C C   . ARG A 1 19  ? -1.43199  0.69310   -26.33761 1.000 39.14153 ? 23  ARG A C   1 
ATOM   155  O O   . ARG A 1 19  ? -0.83058  1.54591   -25.66355 1.000 40.67914 ? 23  ARG A O   1 
ATOM   156  C CB  . ARG A 1 19  ? -2.69995  -0.83768  -24.81714 1.000 40.37880 ? 23  ARG A CB  1 
ATOM   157  C CG  . ARG A 1 19  ? -4.04271  -1.16000  -24.16894 1.000 40.55494 ? 23  ARG A CG  1 
ATOM   158  C CD  . ARG A 1 19  ? -4.61945  0.08857   -23.49847 1.000 39.73261 ? 23  ARG A CD  1 
ATOM   159  N NE  . ARG A 1 19  ? -3.87741  0.32910   -22.26090 1.000 46.51329 ? 23  ARG A NE  1 
ATOM   160  C CZ  . ARG A 1 19  ? -3.77521  1.50000   -21.64870 1.000 46.36393 ? 23  ARG A CZ  1 
ATOM   161  N NH1 . ARG A 1 19  ? -4.33845  2.58869   -22.13724 1.000 43.31155 ? 23  ARG A NH1 1 
ATOM   162  N NH2 . ARG A 1 19  ? -3.04893  1.58701   -20.53655 1.000 49.70825 ? 23  ARG A NH2 1 
ATOM   163  N N   . ASN A 1 20  ? -0.88961  0.11144   -27.39405 1.000 38.44241 ? 24  ASN A N   1 
ATOM   164  C CA  . ASN A 1 20  ? 0.40615   0.52732   -27.91978 1.000 40.65521 ? 24  ASN A CA  1 
ATOM   165  C C   . ASN A 1 20  ? 0.29549   1.85687   -28.65731 1.000 39.96500 ? 24  ASN A C   1 
ATOM   166  O O   . ASN A 1 20  ? 1.11794   2.75406   -28.47772 1.000 38.87125 ? 24  ASN A O   1 
ATOM   167  C CB  . ASN A 1 20  ? 0.91594   -0.54025  -28.87338 1.000 42.11931 ? 24  ASN A CB  1 
ATOM   168  C CG  . ASN A 1 20  ? 1.91735   -1.47178  -28.23964 1.000 46.92885 ? 24  ASN A CG  1 
ATOM   169  O OD1 . ASN A 1 20  ? 2.21489   -1.39554  -27.03722 1.000 51.53248 ? 24  ASN A OD1 1 
ATOM   170  N ND2 . ASN A 1 20  ? 2.47031   -2.35198  -29.05133 1.000 49.08715 ? 24  ASN A ND2 1 
ATOM   171  N N   . LYS A 1 21  ? -0.74230  2.00646   -29.46828 1.000 36.10217 ? 25  LYS A N   1 
ATOM   172  C CA  . LYS A 1 21  ? -0.82952  3.13253   -30.38859 1.000 35.90849 ? 25  LYS A CA  1 
ATOM   173  C C   . LYS A 1 21  ? -1.47221  4.36896   -29.77236 1.000 35.59286 ? 25  LYS A C   1 
ATOM   174  O O   . LYS A 1 21  ? -1.14588  5.50531   -30.17209 1.000 35.86855 ? 25  LYS A O   1 
ATOM   175  C CB  . LYS A 1 21  ? -1.64100  2.68704   -31.61756 1.000 38.10206 ? 25  LYS A CB  1 
ATOM   176  C CG  . LYS A 1 21  ? -1.79320  3.69912   -32.78613 1.000 41.81962 ? 25  LYS A CG  1 
ATOM   177  C CD  . LYS A 1 21  ? -0.51359  4.34561   -33.20932 1.000 44.69820 ? 25  LYS A CD  1 
ATOM   178  C CE  . LYS A 1 21  ? -0.52331  4.83369   -34.68883 1.000 53.73212 ? 25  LYS A CE  1 
ATOM   179  N NZ  . LYS A 1 21  ? -1.72758  5.66579   -35.03627 1.000 45.71199 ? 25  LYS A NZ  1 
ATOM   180  N N   . TYR A 1 22  ? -2.43996  4.18346   -28.88553 1.000 35.10144 ? 26  TYR A N   1 
ATOM   181  C CA  . TYR A 1 22  ? -3.20914  5.29674   -28.32401 1.000 34.83747 ? 26  TYR A CA  1 
ATOM   182  C C   . TYR A 1 22  ? -3.11488  5.22296   -26.80811 1.000 33.56633 ? 26  TYR A C   1 
ATOM   183  O O   . TYR A 1 22  ? -4.09653  4.90621   -26.12012 1.000 36.33013 ? 26  TYR A O   1 
ATOM   184  C CB  . TYR A 1 22  ? -4.65793  5.26303   -28.83073 1.000 32.03898 ? 26  TYR A CB  1 
ATOM   185  C CG  . TYR A 1 22  ? -4.72916  5.32050   -30.32836 1.000 31.06168 ? 26  TYR A CG  1 
ATOM   186  C CD1 . TYR A 1 22  ? -4.41470  6.47462   -31.01590 1.000 32.72397 ? 26  TYR A CD1 1 
ATOM   187  C CD2 . TYR A 1 22  ? -5.08914  4.22076   -31.06889 1.000 33.24123 ? 26  TYR A CD2 1 
ATOM   188  C CE1 . TYR A 1 22  ? -4.43227  6.53548   -32.40780 1.000 33.83769 ? 26  TYR A CE1 1 
ATOM   189  C CE2 . TYR A 1 22  ? -5.12227  4.26828   -32.43024 1.000 35.13043 ? 26  TYR A CE2 1 
ATOM   190  C CZ  . TYR A 1 22  ? -4.80446  5.42968   -33.11763 1.000 33.90528 ? 26  TYR A CZ  1 
ATOM   191  O OH  . TYR A 1 22  ? -4.78176  5.44270   -34.49412 1.000 34.84393 ? 26  TYR A OH  1 
ATOM   192  N N   . PRO A 1 23  ? -1.92608  5.46160   -26.24906 1.000 35.94436 ? 27  PRO A N   1 
ATOM   193  C CA  . PRO A 1 23  ? -1.74012  5.25330   -24.80119 1.000 37.93691 ? 27  PRO A CA  1 
ATOM   194  C C   . PRO A 1 23  ? -2.47445  6.23626   -23.95743 1.000 38.83666 ? 27  PRO A C   1 
ATOM   195  O O   . PRO A 1 23  ? -2.53760  6.04557   -22.73786 1.000 41.20447 ? 27  PRO A O   1 
ATOM   196  C CB  . PRO A 1 23  ? -0.22583  5.43006   -24.60504 1.000 37.57336 ? 27  PRO A CB  1 
ATOM   197  C CG  . PRO A 1 23  ? 0.18353   6.40351   -25.72146 1.000 37.82374 ? 27  PRO A CG  1 
ATOM   198  C CD  . PRO A 1 23  ? -0.70074  5.94788   -26.90852 1.000 36.03420 ? 27  PRO A CD  1 
ATOM   199  N N   . ASP A 1 24  ? -2.97758  7.31981   -24.53477 1.000 38.39841 ? 28  ASP A N   1 
ATOM   200  C CA  . ASP A 1 24  ? -3.71166  8.26498   -23.71956 1.000 41.39659 ? 28  ASP A CA  1 
ATOM   201  C C   . ASP A 1 24  ? -5.21421  7.96254   -23.70556 1.000 38.97137 ? 28  ASP A C   1 
ATOM   202  O O   . ASP A 1 24  ? -5.97916  8.73722   -23.12979 1.000 38.19479 ? 28  ASP A O   1 
ATOM   203  C CB  . ASP A 1 24  ? -3.41191  9.70743   -24.17810 1.000 45.15344 ? 28  ASP A CB  1 
ATOM   204  C CG  . ASP A 1 24  ? -1.89290  10.11054  -24.01436 1.000 53.20220 ? 28  ASP A CG  1 
ATOM   205  O OD1 . ASP A 1 24  ? -1.11415  9.49329   -23.22086 1.000 48.53390 ? 28  ASP A OD1 1 
ATOM   206  O OD2 . ASP A 1 24  ? -1.45932  11.07966  -24.69990 1.000 56.38470 ? 28  ASP A OD2 1 
ATOM   207  N N   . ARG A 1 25  ? -5.64324  6.85251   -24.32123 1.000 35.42657 ? 29  ARG A N   1 
ATOM   208  C CA  . ARG A 1 25  ? -7.03341  6.45712   -24.40045 1.000 33.49517 ? 29  ARG A CA  1 
ATOM   209  C C   . ARG A 1 25  ? -7.25369  5.05400   -23.84473 1.000 34.23697 ? 29  ARG A C   1 
ATOM   210  O O   . ARG A 1 25  ? -6.31556  4.25962   -23.74329 1.000 34.81503 ? 29  ARG A O   1 
ATOM   211  C CB  . ARG A 1 25  ? -7.53658  6.52269   -25.86035 1.000 32.65963 ? 29  ARG A CB  1 
ATOM   212  C CG  . ARG A 1 25  ? -7.82150  7.97184   -26.20263 1.000 32.57020 ? 29  ARG A CG  1 
ATOM   213  C CD  . ARG A 1 25  ? -8.18705  8.21490   -27.66303 1.000 32.31393 ? 29  ARG A CD  1 
ATOM   214  N NE  . ARG A 1 25  ? -8.37997  9.63896   -27.90328 1.000 33.05875 ? 29  ARG A NE  1 
ATOM   215  C CZ  . ARG A 1 25  ? -9.53188  10.28779  -27.76099 1.000 31.66807 ? 29  ARG A CZ  1 
ATOM   216  N NH1 . ARG A 1 25  ? -10.64500 9.66351   -27.42069 1.000 29.57458 ? 29  ARG A NH1 1 
ATOM   217  N NH2 . ARG A 1 25  ? -9.56836  11.59705  -27.98008 1.000 34.03177 ? 29  ARG A NH2 1 
ATOM   218  N N   . ILE A 1 26  ? -8.51027  4.76904   -23.49912 1.000 29.92933 ? 30  ILE A N   1 
ATOM   219  C CA  . ILE A 1 26  ? -8.92254  3.52635   -22.83825 1.000 29.62240 ? 30  ILE A CA  1 
ATOM   220  C C   . ILE A 1 26  ? -9.91359  2.81265   -23.75198 1.000 29.79194 ? 30  ILE A C   1 
ATOM   221  O O   . ILE A 1 26  ? -10.89843 3.42338   -24.17058 1.000 27.81703 ? 30  ILE A O   1 
ATOM   222  C CB  . ILE A 1 26  ? -9.56604  3.81105   -21.46979 1.000 30.61521 ? 30  ILE A CB  1 
ATOM   223  C CG1 . ILE A 1 26  ? -8.62602  4.66885   -20.57828 1.000 30.62169 ? 30  ILE A CG1 1 
ATOM   224  C CG2 . ILE A 1 26  ? -10.11982 2.55814   -20.83571 1.000 29.40924 ? 30  ILE A CG2 1 
ATOM   225  C CD1 . ILE A 1 26  ? -7.42244  3.91313   -19.95688 1.000 36.26378 ? 30  ILE A CD1 1 
ATOM   226  N N   . PRO A 1 27  ? -9.67951  1.54589   -24.11692 1.000 26.63526 ? 31  PRO A N   1 
ATOM   227  C CA  . PRO A 1 27  ? -10.59577 0.76183   -24.95482 1.000 29.11338 ? 31  PRO A CA  1 
ATOM   228  C C   . PRO A 1 27  ? -11.72016 0.20339   -24.11467 1.000 27.41416 ? 31  PRO A C   1 
ATOM   229  O O   . PRO A 1 27  ? -11.49197 -0.67774  -23.27497 1.000 25.62626 ? 31  PRO A O   1 
ATOM   230  C CB  . PRO A 1 27  ? -9.71236  -0.36467  -25.48364 1.000 27.43607 ? 31  PRO A CB  1 
ATOM   231  C CG  . PRO A 1 27  ? -8.70169  -0.56189  -24.39741 1.000 29.90624 ? 31  PRO A CG  1 
ATOM   232  C CD  . PRO A 1 27  ? -8.42918  0.79908   -23.83213 1.000 31.35481 ? 31  PRO A CD  1 
ATOM   233  N N   . VAL A 1 28  ? -12.94057 0.62976   -24.41962 1.000 24.59138 ? 32  VAL A N   1 
ATOM   234  C CA  . VAL A 1 28  ? -14.08041 0.26318   -23.58646 1.000 24.84608 ? 32  VAL A CA  1 
ATOM   235  C C   . VAL A 1 28  ? -15.10508 -0.40573  -24.46605 1.000 25.05181 ? 32  VAL A C   1 
ATOM   236  O O   . VAL A 1 28  ? -15.43883 0.12041   -25.54299 1.000 25.88646 ? 32  VAL A O   1 
ATOM   237  C CB  . VAL A 1 28  ? -14.68215 1.48721   -22.89001 1.000 25.75410 ? 32  VAL A CB  1 
ATOM   238  C CG1 . VAL A 1 28  ? -15.86423 1.07100   -22.01899 1.000 25.44366 ? 32  VAL A CG1 1 
ATOM   239  C CG2 . VAL A 1 28  ? -13.61645 2.18987   -22.04390 1.000 24.98547 ? 32  VAL A CG2 1 
ATOM   240  N N   . ILE A 1 29  ? -15.64609 -1.55646  -23.99053 1.000 24.37564 ? 33  ILE A N   1 
ATOM   241  C CA  . ILE A 1 29  ? -16.82518 -2.17995  -24.60419 1.000 24.10924 ? 33  ILE A CA  1 
ATOM   242  C C   . ILE A 1 29  ? -18.03056 -1.78575  -23.76049 1.000 23.22189 ? 33  ILE A C   1 
ATOM   243  O O   . ILE A 1 29  ? -18.01607 -2.02489  -22.56245 1.000 22.86364 ? 33  ILE A O   1 
ATOM   244  C CB  . ILE A 1 29  ? -16.68023 -3.71871  -24.63723 1.000 26.45390 ? 33  ILE A CB  1 
ATOM   245  C CG1 . ILE A 1 29  ? -15.37762 -4.15295  -25.30866 1.000 28.14252 ? 33  ILE A CG1 1 
ATOM   246  C CG2 . ILE A 1 29  ? -17.91246 -4.38584  -25.24705 1.000 26.35285 ? 33  ILE A CG2 1 
ATOM   247  C CD1 . ILE A 1 29  ? -15.19041 -3.59662  -26.70466 1.000 30.09472 ? 33  ILE A CD1 1 
ATOM   248  N N   . VAL A 1 30  ? -19.11409 -1.27316  -24.38167 1.000 22.87232 ? 34  VAL A N   1 
ATOM   249  C CA  . VAL A 1 30  ? -20.28051 -0.80794  -23.63155 1.000 23.12675 ? 34  VAL A CA  1 
ATOM   250  C C   . VAL A 1 30  ? -21.47820 -1.60778  -24.08425 1.000 26.37092 ? 34  VAL A C   1 
ATOM   251  O O   . VAL A 1 30  ? -21.67446 -1.72274  -25.28434 1.000 25.37243 ? 34  VAL A O   1 
ATOM   252  C CB  . VAL A 1 30  ? -20.51078 0.70496   -23.89144 1.000 23.10068 ? 34  VAL A CB  1 
ATOM   253  C CG1 . VAL A 1 30  ? -21.80148 1.15800   -23.24589 1.000 26.88564 ? 34  VAL A CG1 1 
ATOM   254  C CG2 . VAL A 1 30  ? -19.32664 1.48716   -23.35245 1.000 24.07813 ? 34  VAL A CG2 1 
ATOM   255  N N   . GLU A 1 31  ? -22.22399 -2.23155  -23.14855 1.000 24.80263 ? 35  GLU A N   1 
ATOM   256  C CA  . GLU A 1 31  ? -23.41122 -3.00143  -23.47542 1.000 27.07898 ? 35  GLU A CA  1 
ATOM   257  C C   . GLU A 1 31  ? -24.51645 -2.73216  -22.47234 1.000 26.97170 ? 35  GLU A C   1 
ATOM   258  O O   . GLU A 1 31  ? -24.27070 -2.38355  -21.31444 1.000 26.38946 ? 35  GLU A O   1 
ATOM   259  C CB  . GLU A 1 31  ? -23.13202 -4.50286  -23.49439 1.000 28.87677 ? 35  GLU A CB  1 
ATOM   260  C CG  . GLU A 1 31  ? -22.00658 -4.80176  -24.43282 1.000 28.86629 ? 35  GLU A CG  1 
ATOM   261  C CD  . GLU A 1 31  ? -21.56520 -6.20573  -24.42164 1.000 32.37348 ? 35  GLU A CD  1 
ATOM   262  O OE1 . GLU A 1 31  ? -20.77009 -6.54657  -23.49392 1.000 32.00519 ? 35  GLU A OE1 1 
ATOM   263  O OE2 . GLU A 1 31  ? -21.93980 -6.92583  -25.37282 1.000 31.61854 ? 35  GLU A OE2 1 
ATOM   264  N N   . ARG A 1 32  ? -25.73757 -2.95108  -22.90387 1.000 28.55258 ? 36  ARG A N   1 
ATOM   265  C CA  . ARG A 1 32  ? -26.84565 -2.69094  -21.99482 1.000 29.60779 ? 36  ARG A CA  1 
ATOM   266  C C   . ARG A 1 32  ? -26.89006 -3.80741  -20.97624 1.000 30.06558 ? 36  ARG A C   1 
ATOM   267  O O   . ARG A 1 32  ? -26.67448 -4.97603  -21.32615 1.000 30.80692 ? 36  ARG A O   1 
ATOM   268  C CB  . ARG A 1 32  ? -28.17949 -2.63565  -22.76334 1.000 32.94211 ? 36  ARG A CB  1 
ATOM   269  C CG  . ARG A 1 32  ? -29.36131 -2.43376  -21.86829 1.000 33.16045 ? 36  ARG A CG  1 
ATOM   270  C CD  . ARG A 1 32  ? -30.69213 -2.35155  -22.68403 1.000 38.74773 ? 36  ARG A CD  1 
ATOM   271  N NE  . ARG A 1 32  ? -30.96184 -3.62065  -23.33953 1.000 40.77048 ? 36  ARG A NE  1 
ATOM   272  C CZ  . ARG A 1 32  ? -31.96910 -3.79136  -24.18680 1.000 44.59638 ? 36  ARG A CZ  1 
ATOM   273  N NH1 . ARG A 1 32  ? -32.77818 -2.79876  -24.48289 1.000 43.28950 ? 36  ARG A NH1 1 
ATOM   274  N NH2 . ARG A 1 32  ? -32.15887 -4.98273  -24.74809 1.000 43.53425 ? 36  ARG A NH2 1 
ATOM   275  N N   . ALA A 1 33  ? -27.20631 -3.46879  -19.72846 1.000 30.20144 ? 37  ALA A N   1 
ATOM   276  C CA  . ALA A 1 33  ? -27.26283 -4.46037  -18.65856 1.000 31.70382 ? 37  ALA A CA  1 
ATOM   277  C C   . ALA A 1 33  ? -28.41787 -5.40764  -18.90291 1.000 38.74177 ? 37  ALA A C   1 
ATOM   278  O O   . ALA A 1 33  ? -29.40263 -5.05149  -19.55377 1.000 38.12315 ? 37  ALA A O   1 
ATOM   279  C CB  . ALA A 1 33  ? -27.43262 -3.77721  -17.29828 1.000 31.85545 ? 37  ALA A CB  1 
ATOM   280  N N   . GLU A 1 34  ? -28.30241 -6.62089  -18.35662 1.000 42.09124 ? 38  GLU A N   1 
ATOM   281  C CA  A GLU A 1 34  ? -29.35512 -7.62172  -18.50933 0.600 45.83232 ? 38  GLU A CA  1 
ATOM   282  C CA  B GLU A 1 34  ? -29.35551 -7.60671  -18.53991 0.400 45.85505 ? 38  GLU A CA  1 
ATOM   283  C C   . GLU A 1 34  ? -30.64412 -7.16395  -17.85377 1.000 48.45862 ? 38  GLU A C   1 
ATOM   284  O O   . GLU A 1 34  ? -30.63093 -6.64309  -16.73442 1.000 47.99151 ? 38  GLU A O   1 
ATOM   285  C CB  A GLU A 1 34  ? -28.91208 -8.94729  -17.90150 0.600 48.21136 ? 38  GLU A CB  1 
ATOM   286  C CB  B GLU A 1 34  ? -28.88843 -8.96404  -18.02042 0.400 48.20917 ? 38  GLU A CB  1 
ATOM   287  C CG  A GLU A 1 34  ? -28.25094 -9.87565  -18.89476 0.600 48.02787 ? 38  GLU A CG  1 
ATOM   288  C CG  B GLU A 1 34  ? -27.52900 -9.39810  -18.60012 0.400 47.06524 ? 38  GLU A CG  1 
ATOM   289  C CD  A GLU A 1 34  ? -29.21933 -10.85702 -19.52673 0.600 49.37222 ? 38  GLU A CD  1 
ATOM   290  C CD  B GLU A 1 34  ? -27.54354 -9.56372  -20.12305 0.400 46.97751 ? 38  GLU A CD  1 
ATOM   291  O OE1 A GLU A 1 34  ? -30.04363 -11.45672 -18.78485 0.600 53.77214 ? 38  GLU A OE1 1 
ATOM   292  O OE1 B GLU A 1 34  ? -28.62576 -9.76491  -20.70547 0.400 47.74088 ? 38  GLU A OE1 1 
ATOM   293  O OE2 A GLU A 1 34  ? -29.15976 -11.02900 -20.76840 0.600 49.31620 ? 38  GLU A OE2 1 
ATOM   294  O OE2 B GLU A 1 34  ? -26.46635 -9.49797  -20.73589 0.400 45.98952 ? 38  GLU A OE2 1 
ATOM   295  N N   . LYS A 1 35  ? -31.75941 -7.35421  -18.56222 1.000 49.74281 ? 39  LYS A N   1 
ATOM   296  C CA  . LYS A 1 35  ? -33.12480 -7.05029  -18.13967 1.000 54.98575 ? 39  LYS A CA  1 
ATOM   297  C C   . LYS A 1 35  ? -33.44184 -5.55544  -18.06916 1.000 55.25657 ? 39  LYS A C   1 
ATOM   298  O O   . LYS A 1 35  ? -34.53011 -5.18555  -17.62988 1.000 60.81529 ? 39  LYS A O   1 
ATOM   299  C CB  . LYS A 1 35  ? -33.44336 -7.71009  -16.79378 1.000 60.50815 ? 39  LYS A CB  1 
ATOM   300  C CG  . LYS A 1 35  ? -33.37692 -9.23902  -16.84849 1.000 65.77948 ? 39  LYS A CG  1 
ATOM   301  C CD  . LYS A 1 35  ? -32.97666 -9.82177  -15.49564 1.000 71.53277 ? 39  LYS A CD  1 
ATOM   302  C CE  . LYS A 1 35  ? -31.74824 -9.08763  -14.94126 1.000 68.57835 ? 39  LYS A CE  1 
ATOM   303  N NZ  . LYS A 1 35  ? -31.17978 -9.75438  -13.72838 1.000 78.47614 ? 39  LYS A NZ  1 
ATOM   304  N N   . SER A 1 36  ? -32.55386 -4.68149  -18.52318 1.000 49.59523 ? 40  SER A N   1 
ATOM   305  C CA  . SER A 1 36  ? -32.82464 -3.25601  -18.40796 1.000 49.73129 ? 40  SER A CA  1 
ATOM   306  C C   . SER A 1 36  ? -33.81525 -2.76040  -19.44983 1.000 52.43606 ? 40  SER A C   1 
ATOM   307  O O   . SER A 1 36  ? -33.68340 -3.05341  -20.63814 1.000 50.02552 ? 40  SER A O   1 
ATOM   308  C CB  . SER A 1 36  ? -31.54369 -2.45284  -18.55195 1.000 43.96648 ? 40  SER A CB  1 
ATOM   309  O OG  . SER A 1 36  ? -31.88901 -1.09520  -18.61560 1.000 44.46559 ? 40  SER A OG  1 
ATOM   310  N N   . ASP A 1 37  ? -34.77216 -1.95614  -18.99719 1.000 56.58997 ? 41  ASP A N   1 
ATOM   311  C CA  . ASP A 1 37  ? -35.72747 -1.26806  -19.87485 1.000 63.31530 ? 41  ASP A CA  1 
ATOM   312  C C   . ASP A 1 37  ? -35.20953 0.11125   -20.28114 1.000 55.54885 ? 41  ASP A C   1 
ATOM   313  O O   . ASP A 1 37  ? -35.82879 1.12268   -19.96510 1.000 58.21677 ? 41  ASP A O   1 
ATOM   314  C CB  . ASP A 1 37  ? -37.08897 -1.10824  -19.18134 1.000 66.32903 ? 41  ASP A CB  1 
ATOM   315  C CG  . ASP A 1 37  ? -37.98109 -2.32804  -19.30879 1.000 85.71212 ? 41  ASP A CG  1 
ATOM   316  O OD1 . ASP A 1 37  ? -38.16475 -2.84409  -20.43735 1.000 92.65353 ? 41  ASP A OD1 1 
ATOM   317  O OD2 . ASP A 1 37  ? -38.52140 -2.75934  -18.26169 1.000 92.01025 ? 41  ASP A OD2 1 
ATOM   318  N N   . ILE A 1 38  ? -34.08016 0.17858   -20.97675 1.000 49.04972 ? 42  ILE A N   1 
ATOM   319  C CA  . ILE A 1 38  ? -33.82665 1.41008   -21.72148 1.000 46.36971 ? 42  ILE A CA  1 
ATOM   320  C C   . ILE A 1 38  ? -33.20787 1.00853   -23.05183 1.000 43.73110 ? 42  ILE A C   1 
ATOM   321  O O   . ILE A 1 38  ? -32.97485 -0.19588  -23.28212 1.000 43.77285 ? 42  ILE A O   1 
ATOM   322  C CB  . ILE A 1 38  ? -32.98565 2.45220   -20.94251 1.000 46.40330 ? 42  ILE A CB  1 
ATOM   323  C CG1 . ILE A 1 38  ? -31.62739 1.95103   -20.51714 1.000 40.78341 ? 42  ILE A CG1 1 
ATOM   324  C CG2 . ILE A 1 38  ? -33.77892 3.14919   -19.77061 1.000 48.15032 ? 42  ILE A CG2 1 
ATOM   325  C CD1 . ILE A 1 38  ? -30.80102 3.07519   -19.91806 1.000 36.33135 ? 42  ILE A CD1 1 
ATOM   326  N N   . PRO A 1 39  ? -32.96622 1.95335   -23.97974 1.000 42.43474 ? 43  PRO A N   1 
ATOM   327  C CA  . PRO A 1 39  ? -32.60867 1.54668   -25.33376 1.000 41.26697 ? 43  PRO A CA  1 
ATOM   328  C C   . PRO A 1 39  ? -31.25504 0.89007   -25.40668 1.000 42.33478 ? 43  PRO A C   1 
ATOM   329  O O   . PRO A 1 39  ? -30.31424 1.27219   -24.71609 1.000 40.46153 ? 43  PRO A O   1 
ATOM   330  C CB  . PRO A 1 39  ? -32.61520 2.86163   -26.12064 1.000 42.30475 ? 43  PRO A CB  1 
ATOM   331  C CG  . PRO A 1 39  ? -33.63743 3.66409   -25.46948 1.000 41.86503 ? 43  PRO A CG  1 
ATOM   332  C CD  . PRO A 1 39  ? -33.42361 3.35914   -23.98129 1.000 42.34754 ? 43  PRO A CD  1 
ATOM   333  N N   . ASP A 1 40  ? -31.17321 -0.11089  -26.26810 1.000 42.88772 ? 44  ASP A N   1 
ATOM   334  C CA  . ASP A 1 40  ? -29.88447 -0.68549  -26.61084 1.000 43.10721 ? 44  ASP A CA  1 
ATOM   335  C C   . ASP A 1 40  ? -29.04402 0.37213   -27.31065 1.000 44.10419 ? 44  ASP A C   1 
ATOM   336  O O   . ASP A 1 40  ? -29.54799 1.38042   -27.81992 1.000 47.47380 ? 44  ASP A O   1 
ATOM   337  C CB  . ASP A 1 40  ? -30.08835 -1.88609  -27.52648 1.000 43.47852 ? 44  ASP A CB  1 
ATOM   338  C CG  . ASP A 1 40  ? -29.01077 -2.92601  -27.39517 1.000 44.35910 ? 44  ASP A CG  1 
ATOM   339  O OD1 . ASP A 1 40  ? -28.00319 -2.70631  -26.69627 1.000 41.85081 ? 44  ASP A OD1 1 
ATOM   340  O OD2 . ASP A 1 40  ? -29.19870 -4.00216  -27.99392 1.000 50.33629 ? 44  ASP A OD2 1 
ATOM   341  N N   . ILE A 1 41  ? -27.75471 0.13601   -27.36308 1.000 42.48913 ? 45  ILE A N   1 
ATOM   342  C CA  . ILE A 1 41  ? -26.83084 1.09169   -27.93758 1.000 40.98159 ? 45  ILE A CA  1 
ATOM   343  C C   . ILE A 1 41  ? -26.33322 0.55438   -29.27008 1.000 45.08768 ? 45  ILE A C   1 
ATOM   344  O O   . ILE A 1 41  ? -26.10687 -0.64998  -29.41815 1.000 44.28379 ? 45  ILE A O   1 
ATOM   345  C CB  . ILE A 1 41  ? -25.69083 1.34715   -26.93370 1.000 39.30406 ? 45  ILE A CB  1 
ATOM   346  C CG1 . ILE A 1 41  ? -24.91535 2.60780   -27.28680 1.000 39.33051 ? 45  ILE A CG1 1 
ATOM   347  C CG2 . ILE A 1 41  ? -24.86201 0.10717   -26.75567 1.000 36.96529 ? 45  ILE A CG2 1 
ATOM   348  C CD1 . ILE A 1 41  ? -23.99968 3.08221   -26.11695 1.000 34.15383 ? 45  ILE A CD1 1 
ATOM   349  N N   . ASP A 1 42  ? -26.16919 1.45378   -30.24464 1.000 47.43293 ? 46  ASP A N   1 
ATOM   350  C CA  . ASP A 1 42  ? -25.84552 1.02402   -31.61062 1.000 52.13740 ? 46  ASP A CA  1 
ATOM   351  C C   . ASP A 1 42  ? -24.41620 0.49238   -31.69072 1.000 48.42134 ? 46  ASP A C   1 
ATOM   352  O O   . ASP A 1 42  ? -24.18527 -0.66982  -32.06239 1.000 48.65462 ? 46  ASP A O   1 
ATOM   353  C CB  . ASP A 1 42  ? -26.03988 2.18740   -32.60389 1.000 57.20470 ? 46  ASP A CB  1 
ATOM   354  C CG  . ASP A 1 42  ? -27.45515 2.24754   -33.18848 1.000 79.70096 ? 46  ASP A CG  1 
ATOM   355  O OD1 . ASP A 1 42  ? -28.30472 1.41029   -32.79393 1.000 94.82168 ? 46  ASP A OD1 1 
ATOM   356  O OD2 . ASP A 1 42  ? -27.72365 3.12405   -34.05367 1.000 82.77448 ? 46  ASP A OD2 1 
ATOM   357  N N   . LYS A 1 43  ? -23.44526 1.33151   -31.33843 1.000 42.46431 ? 47  LYS A N   1 
ATOM   358  C CA  . LYS A 1 43  ? -22.02432 0.99050   -31.39285 1.000 39.60600 ? 47  LYS A CA  1 
ATOM   359  C C   . LYS A 1 43  ? -21.55394 0.58020   -29.99414 1.000 35.65301 ? 47  LYS A C   1 
ATOM   360  O O   . LYS A 1 43  ? -21.94997 1.21097   -29.00880 1.000 32.72436 ? 47  LYS A O   1 
ATOM   361  C CB  . LYS A 1 43  ? -21.18672 2.18171   -31.90163 1.000 39.16103 ? 47  LYS A CB  1 
ATOM   362  C CG  . LYS A 1 43  ? -21.59023 2.79962   -33.27743 1.000 43.26018 ? 47  LYS A CG  1 
ATOM   363  C CD  . LYS A 1 43  ? -21.27467 1.90188   -34.47716 1.000 45.66516 ? 47  LYS A CD  1 
ATOM   364  C CE  . LYS A 1 43  ? -21.78980 2.51065   -35.80191 1.000 51.65286 ? 47  LYS A CE  1 
ATOM   365  N NZ  . LYS A 1 43  ? -21.15359 1.82201   -36.97958 1.000 50.53427 ? 47  LYS A NZ  1 
ATOM   366  N N   . LYS A 1 44  ? -20.73758 -0.49615  -29.91197 1.000 32.58008 ? 48  LYS A N   1 
ATOM   367  C CA  . LYS A 1 44  ? -20.26678 -1.02534  -28.61624 1.000 29.37536 ? 48  LYS A CA  1 
ATOM   368  C C   . LYS A 1 44  ? -18.82091 -0.65023  -28.26743 1.000 28.86276 ? 48  LYS A C   1 
ATOM   369  O O   . LYS A 1 44  ? -18.45794 -0.72724  -27.06914 1.000 25.39834 ? 48  LYS A O   1 
ATOM   370  C CB  . LYS A 1 44  ? -20.31012 -2.57320  -28.56502 1.000 31.58005 ? 48  LYS A CB  1 
ATOM   371  C CG  . LYS A 1 44  ? -21.60384 -3.25756  -28.96380 1.000 35.61706 ? 48  LYS A CG  1 
ATOM   372  C CD  . LYS A 1 44  ? -22.78038 -2.77208  -28.15066 1.000 36.21403 ? 48  LYS A CD  1 
ATOM   373  C CE  . LYS A 1 44  ? -24.07128 -3.59242  -28.51162 1.000 38.98839 ? 48  LYS A CE  1 
ATOM   374  N NZ  . LYS A 1 44  ? -24.85462 -2.88899  -29.54854 1.000 43.50969 ? 48  LYS A NZ  1 
ATOM   375  N N   . LYS A 1 45  ? -17.96189 -0.28743  -29.25658 1.000 30.04566 ? 49  LYS A N   1 
ATOM   376  C CA  . LYS A 1 45  ? -16.51603 -0.07377  -29.01285 1.000 30.15281 ? 49  LYS A CA  1 
ATOM   377  C C   . LYS A 1 45  ? -16.14886 1.41541   -28.96525 1.000 30.28655 ? 49  LYS A C   1 
ATOM   378  O O   . LYS A 1 45  ? -16.32683 2.13452   -29.95134 1.000 30.55141 ? 49  LYS A O   1 
ATOM   379  C CB  . LYS A 1 45  ? -15.68013 -0.75991  -30.10044 1.000 34.42038 ? 49  LYS A CB  1 
ATOM   380  C CG  . LYS A 1 45  ? -15.89224 -2.22968  -30.16215 1.000 34.51195 ? 49  LYS A CG  1 
ATOM   381  C CD  . LYS A 1 45  ? -15.26356 -2.85814  -31.41328 1.000 46.52038 ? 49  LYS A CD  1 
ATOM   382  C CE  . LYS A 1 45  ? -13.78281 -2.65196  -31.50508 1.000 39.59717 ? 49  LYS A CE  1 
ATOM   383  N NZ  . LYS A 1 45  ? -13.21379 -3.19752  -32.86534 1.000 39.79056 ? 49  LYS A NZ  1 
ATOM   384  N N   . TYR A 1 46  ? -15.61368 1.87571   -27.83274 1.000 26.76630 ? 50  TYR A N   1 
ATOM   385  C CA  . TYR A 1 46  ? -15.40825 3.29356   -27.57174 1.000 27.92805 ? 50  TYR A CA  1 
ATOM   386  C C   . TYR A 1 46  ? -13.97229 3.51375   -27.15033 1.000 29.62975 ? 50  TYR A C   1 
ATOM   387  O O   . TYR A 1 46  ? -13.53026 2.88272   -26.20100 1.000 29.51222 ? 50  TYR A O   1 
ATOM   388  C CB  . TYR A 1 46  ? -16.30662 3.79399   -26.43099 1.000 28.97222 ? 50  TYR A CB  1 
ATOM   389  C CG  . TYR A 1 46  ? -17.73496 3.89351   -26.87169 1.000 27.57884 ? 50  TYR A CG  1 
ATOM   390  C CD1 . TYR A 1 46  ? -18.52816 2.76648   -26.90717 1.000 28.47839 ? 50  TYR A CD1 1 
ATOM   391  C CD2 . TYR A 1 46  ? -18.26616 5.11388   -27.32107 1.000 30.60935 ? 50  TYR A CD2 1 
ATOM   392  C CE1 . TYR A 1 46  ? -19.84351 2.83612   -27.39985 1.000 28.47023 ? 50  TYR A CE1 1 
ATOM   393  C CE2 . TYR A 1 46  ? -19.58552 5.19632   -27.79996 1.000 32.62327 ? 50  TYR A CE2 1 
ATOM   394  C CZ  . TYR A 1 46  ? -20.35274 4.03626   -27.82655 1.000 32.35622 ? 50  TYR A CZ  1 
ATOM   395  O OH  . TYR A 1 46  ? -21.65425 4.03433   -28.28214 1.000 34.86029 ? 50  TYR A OH  1 
ATOM   396  N N   . LEU A 1 47  ? -13.26277 4.44442   -27.78359 1.000 27.32863 ? 51  LEU A N   1 
ATOM   397  C CA  . LEU A 1 47  ? -11.86400 4.71958   -27.37187 1.000 29.74180 ? 51  LEU A CA  1 
ATOM   398  C C   . LEU A 1 47  ? -11.90263 6.03552   -26.58483 1.000 29.91434 ? 51  LEU A C   1 
ATOM   399  O O   . LEU A 1 47  ? -12.13769 7.09941   -27.15314 1.000 29.85755 ? 51  LEU A O   1 
ATOM   400  C CB  . LEU A 1 47  ? -10.97648 4.72412   -28.61818 1.000 30.56308 ? 51  LEU A CB  1 
ATOM   401  C CG  . LEU A 1 47  ? -9.46566  4.49846   -28.52249 1.000 31.88044 ? 51  LEU A CG  1 
ATOM   402  C CD1 . LEU A 1 47  ? -9.16937  3.21892   -27.75552 1.000 31.69791 ? 51  LEU A CD1 1 
ATOM   403  C CD2 . LEU A 1 47  ? -8.81353  4.47887   -29.88742 1.000 32.21298 ? 51  LEU A CD2 1 
ATOM   404  N N   . VAL A 1 48  ? -11.76920 5.95582   -25.25324 1.000 27.73550 ? 52  VAL A N   1 
ATOM   405  C CA  . VAL A 1 48  ? -12.19011 6.98757   -24.29288 1.000 28.78585 ? 52  VAL A CA  1 
ATOM   406  C C   . VAL A 1 48  ? -10.94135 7.72090   -23.78005 1.000 30.38112 ? 52  VAL A C   1 
ATOM   407  O O   . VAL A 1 48  ? -9.95243  7.04703   -23.49550 1.000 30.83927 ? 52  VAL A O   1 
ATOM   408  C CB  . VAL A 1 48  ? -12.96968 6.28999   -23.14544 1.000 28.73170 ? 52  VAL A CB  1 
ATOM   409  C CG1 . VAL A 1 48  ? -13.39251 7.18497   -22.09559 1.000 30.16542 ? 52  VAL A CG1 1 
ATOM   410  C CG2 . VAL A 1 48  ? -14.26648 5.59922   -23.77005 1.000 29.01628 ? 52  VAL A CG2 1 
ATOM   411  N N   . PRO A 1 49  ? -10.90238 9.05322   -23.66191 1.000 30.04487 ? 53  PRO A N   1 
ATOM   412  C CA  . PRO A 1 49  ? -9.74988  9.67519   -22.99168 1.000 31.77892 ? 53  PRO A CA  1 
ATOM   413  C C   . PRO A 1 49  ? -9.54584  9.13455   -21.58028 1.000 32.93553 ? 53  PRO A C   1 
ATOM   414  O O   . PRO A 1 49  ? -10.47983 9.00644   -20.78938 1.000 31.83798 ? 53  PRO A O   1 
ATOM   415  C CB  . PRO A 1 49  ? -10.10802 11.15995  -22.96224 1.000 32.64244 ? 53  PRO A CB  1 
ATOM   416  C CG  . PRO A 1 49  ? -11.11730 11.33073  -24.03416 1.000 32.84308 ? 53  PRO A CG  1 
ATOM   417  C CD  . PRO A 1 49  ? -11.87902 10.06598  -24.10619 1.000 30.51336 ? 53  PRO A CD  1 
ATOM   418  N N   . ALA A 1 50  ? -8.27593  8.92014   -21.22679 1.000 34.39194 ? 54  ALA A N   1 
ATOM   419  C CA  . ALA A 1 50  ? -7.97056  8.41878   -19.90140 1.000 34.22904 ? 54  ALA A CA  1 
ATOM   420  C C   . ALA A 1 50  ? -8.54536  9.29564   -18.79936 1.000 35.27424 ? 54  ALA A C   1 
ATOM   421  O O   . ALA A 1 50  ? -8.91523  8.77191   -17.73505 1.000 34.08701 ? 54  ALA A O   1 
ATOM   422  C CB  . ALA A 1 50  ? -6.45370  8.31719   -19.76006 1.000 42.23679 ? 54  ALA A CB  1 
ATOM   423  N N   . ASP A 1 51  ? -8.60222  10.63134  -19.01303 1.000 35.37454 ? 55  ASP A N   1 
ATOM   424  C CA  . ASP A 1 51  ? -9.08793  11.53521  -17.98506 1.000 37.60111 ? 55  ASP A CA  1 
ATOM   425  C C   . ASP A 1 51  ? -10.59585 11.65730  -17.95558 1.000 35.26843 ? 55  ASP A C   1 
ATOM   426  O O   . ASP A 1 51  ? -11.12720 12.30007  -17.02979 1.000 34.88208 ? 55  ASP A O   1 
ATOM   427  C CB  . ASP A 1 51  ? -8.50746  12.94051  -18.15757 1.000 42.70294 ? 55  ASP A CB  1 
ATOM   428  C CG  . ASP A 1 51  ? -7.01937  12.96770  -18.01732 1.000 58.61065 ? 55  ASP A CG  1 
ATOM   429  O OD1 . ASP A 1 51  ? -6.47337  12.13181  -17.24815 1.000 55.88667 ? 55  ASP A OD1 1 
ATOM   430  O OD2 . ASP A 1 51  ? -6.39663  13.83016  -18.69211 1.000 71.85431 ? 55  ASP A OD2 1 
ATOM   431  N N   . LEU A 1 52  ? -11.29989 11.07322  -18.92856 1.000 30.69578 ? 56  LEU A N   1 
ATOM   432  C CA  . LEU A 1 52  ? -12.74755 11.19608  -18.93264 1.000 31.11601 ? 56  LEU A CA  1 
ATOM   433  C C   . LEU A 1 52  ? -13.29352 10.52697  -17.68253 1.000 30.99469 ? 56  LEU A C   1 
ATOM   434  O O   . LEU A 1 52  ? -12.84852 9.42315   -17.33401 1.000 30.75390 ? 56  LEU A O   1 
ATOM   435  C CB  . LEU A 1 52  ? -13.32276 10.50819  -20.16393 1.000 27.40420 ? 56  LEU A CB  1 
ATOM   436  C CG  . LEU A 1 52  ? -14.78618 10.82126  -20.35210 1.000 31.35185 ? 56  LEU A CG  1 
ATOM   437  C CD1 . LEU A 1 52  ? -14.94370 12.21883  -20.81792 1.000 32.95705 ? 56  LEU A CD1 1 
ATOM   438  C CD2 . LEU A 1 52  ? -15.47368 9.78169   -21.30293 1.000 29.96218 ? 56  LEU A CD2 1 
ATOM   439  N N   . THR A 1 53  ? -14.23430 11.19056  -16.99827 1.000 30.80196 ? 57  THR A N   1 
ATOM   440  C CA  . THR A 1 53  ? -14.82559 10.54590  -15.81491 1.000 29.98611 ? 57  THR A CA  1 
ATOM   441  C C   . THR A 1 53  ? -15.99823 9.65117   -16.18122 1.000 28.69293 ? 57  THR A C   1 
ATOM   442  O O   . THR A 1 53  ? -16.61869 9.76657   -17.24095 1.000 27.64313 ? 57  THR A O   1 
ATOM   443  C CB  . THR A 1 53  ? -15.33394 11.55347  -14.79051 1.000 31.34840 ? 57  THR A CB  1 
ATOM   444  O OG1 . THR A 1 53  ? -16.44292 12.25163  -15.36664 1.000 31.76016 ? 57  THR A OG1 1 
ATOM   445  C CG2 . THR A 1 53  ? -14.22501 12.54362  -14.46038 1.000 29.95801 ? 57  THR A CG2 1 
ATOM   446  N N   . VAL A 1 54  ? -16.32393 8.75949   -15.24017 1.000 27.50330 ? 58  VAL A N   1 
ATOM   447  C CA  . VAL A 1 54  ? -17.51312 7.93015   -15.41124 1.000 26.40370 ? 58  VAL A CA  1 
ATOM   448  C C   . VAL A 1 54  ? -18.71843 8.81770   -15.63898 1.000 27.85347 ? 58  VAL A C   1 
ATOM   449  O O   . VAL A 1 54  ? -19.59046 8.53214   -16.46708 1.000 27.80726 ? 58  VAL A O   1 
ATOM   450  C CB  . VAL A 1 54  ? -17.67369 7.04272   -14.14923 1.000 27.11514 ? 58  VAL A CB  1 
ATOM   451  C CG1 . VAL A 1 54  ? -19.01890 6.31255   -14.10642 1.000 26.19999 ? 58  VAL A CG1 1 
ATOM   452  C CG2 . VAL A 1 54  ? -16.50756 6.03382   -14.09638 1.000 24.84297 ? 58  VAL A CG2 1 
ATOM   453  N N   . GLY A 1 55  ? -18.80276 9.90922   -14.88172 1.000 29.65960 ? 59  GLY A N   1 
ATOM   454  C CA  . GLY A 1 55  ? -19.95617 10.75716  -15.01369 1.000 29.69447 ? 59  GLY A CA  1 
ATOM   455  C C   . GLY A 1 55  ? -20.00712 11.39311  -16.37850 1.000 30.81585 ? 59  GLY A C   1 
ATOM   456  O O   . GLY A 1 55  ? -21.07838 11.55431  -16.97551 1.000 31.61316 ? 59  GLY A O   1 
ATOM   457  N N   . GLN A 1 56  ? -18.84707 11.74484  -16.91158 1.000 30.97125 ? 60  GLN A N   1 
ATOM   458  C CA  . GLN A 1 56  ? -18.88771 12.33152  -18.23602 1.000 32.33063 ? 60  GLN A CA  1 
ATOM   459  C C   . GLN A 1 56  ? -19.24647 11.30112  -19.31533 1.000 31.97559 ? 60  GLN A C   1 
ATOM   460  O O   . GLN A 1 56  ? -19.80401 11.67145  -20.36580 1.000 31.19941 ? 60  GLN A O   1 
ATOM   461  C CB  . GLN A 1 56  ? -17.55185 13.00210  -18.50890 1.000 34.67021 ? 60  GLN A CB  1 
ATOM   462  C CG  . GLN A 1 56  ? -17.35685 14.18980  -17.58513 1.000 35.28757 ? 60  GLN A CG  1 
ATOM   463  C CD  . GLN A 1 56  ? -15.91626 14.60451  -17.48668 1.000 39.03434 ? 60  GLN A CD  1 
ATOM   464  O OE1 . GLN A 1 56  ? -15.01903 13.90854  -17.97777 1.000 35.11674 ? 60  GLN A OE1 1 
ATOM   465  N NE2 . GLN A 1 56  ? -15.67129 15.76394  -16.84860 1.000 46.85177 ? 60  GLN A NE2 1 
ATOM   466  N N   . PHE A 1 57  ? -18.90174 10.02533  -19.08093 1.000 29.78325 ? 61  PHE A N   1 
ATOM   467  C CA  . PHE A 1 57  ? -19.23273 8.98048   -20.03894 1.000 29.26231 ? 61  PHE A CA  1 
ATOM   468  C C   . PHE A 1 57  ? -20.72776 8.67891   -20.02383 1.000 30.24507 ? 61  PHE A C   1 
ATOM   469  O O   . PHE A 1 57  ? -21.29062 8.26444   -21.05720 1.000 29.19102 ? 61  PHE A O   1 
ATOM   470  C CB  . PHE A 1 57  ? -18.38540 7.73952   -19.75512 1.000 27.83226 ? 61  PHE A CB  1 
ATOM   471  C CG  . PHE A 1 57  ? -18.37275 6.75509   -20.88844 1.000 28.98294 ? 61  PHE A CG  1 
ATOM   472  C CD1 . PHE A 1 57  ? -17.80663 7.10824   -22.09695 1.000 30.20531 ? 61  PHE A CD1 1 
ATOM   473  C CD2 . PHE A 1 57  ? -18.97776 5.52155   -20.76035 1.000 31.23420 ? 61  PHE A CD2 1 
ATOM   474  C CE1 . PHE A 1 57  ? -17.83742 6.23862   -23.16825 1.000 29.97566 ? 61  PHE A CE1 1 
ATOM   475  C CE2 . PHE A 1 57  ? -19.01900 4.63813   -21.83337 1.000 29.50027 ? 61  PHE A CE2 1 
ATOM   476  C CZ  . PHE A 1 57  ? -18.39235 4.99326   -23.00177 1.000 28.24903 ? 61  PHE A CZ  1 
ATOM   477  N N   . VAL A 1 58  ? -21.40495 8.93885   -18.90176 1.000 29.34328 ? 62  VAL A N   1 
ATOM   478  C CA  . VAL A 1 58  ? -22.86142 8.84673   -18.88895 1.000 30.69940 ? 62  VAL A CA  1 
ATOM   479  C C   . VAL A 1 58  ? -23.46036 9.75256   -19.96421 1.000 32.26034 ? 62  VAL A C   1 
ATOM   480  O O   . VAL A 1 58  ? -24.40279 9.36924   -20.67370 1.000 32.94482 ? 62  VAL A O   1 
ATOM   481  C CB  . VAL A 1 58  ? -23.42112 9.18629   -17.48996 1.000 30.73385 ? 62  VAL A CB  1 
ATOM   482  C CG1 . VAL A 1 58  ? -24.96415 9.18370   -17.54404 1.000 32.00042 ? 62  VAL A CG1 1 
ATOM   483  C CG2 . VAL A 1 58  ? -22.90979 8.16133   -16.40355 1.000 29.69855 ? 62  VAL A CG2 1 
ATOM   484  N N   . PHE A 1 59  ? -22.92603 10.97221  -20.10877 1.000 33.50959 ? 63  PHE A N   1 
ATOM   485  C CA  A PHE A 1 59  ? -23.44765 11.89377  -21.11818 0.700 35.65390 ? 63  PHE A CA  1 
ATOM   486  C CA  B PHE A 1 59  ? -23.45167 11.88452  -21.12173 0.300 35.60803 ? 63  PHE A CA  1 
ATOM   487  C C   . PHE A 1 59  ? -23.25494 11.32872  -22.52381 1.000 35.23462 ? 63  PHE A C   1 
ATOM   488  O O   . PHE A 1 59  ? -24.12522 11.48563  -23.39127 1.000 35.91198 ? 63  PHE A O   1 
ATOM   489  C CB  A PHE A 1 59  ? -22.75289 13.26350  -20.95526 0.700 37.86177 ? 63  PHE A CB  1 
ATOM   490  C CB  B PHE A 1 59  ? -22.78427 13.25702  -21.02171 0.300 37.96399 ? 63  PHE A CB  1 
ATOM   491  C CG  A PHE A 1 59  ? -23.50352 14.46219  -21.51901 0.700 40.29178 ? 63  PHE A CG  1 
ATOM   492  C CG  B PHE A 1 59  ? -23.05681 13.98741  -19.74300 0.300 39.17501 ? 63  PHE A CG  1 
ATOM   493  C CD1 A PHE A 1 59  ? -24.66491 14.93664  -20.93662 0.700 42.39918 ? 63  PHE A CD1 1 
ATOM   494  C CD1 B PHE A 1 59  ? -24.18889 14.77313  -19.60075 0.300 41.70890 ? 63  PHE A CD1 1 
ATOM   495  C CD2 A PHE A 1 59  ? -22.96564 15.18732  -22.57590 0.700 43.03567 ? 63  PHE A CD2 1 
ATOM   496  C CD2 B PHE A 1 59  ? -22.15689 13.93578  -18.70290 0.300 38.46236 ? 63  PHE A CD2 1 
ATOM   497  C CE1 A PHE A 1 59  ? -25.29340 16.07883  -21.44175 0.700 43.49876 ? 63  PHE A CE1 1 
ATOM   498  C CE1 B PHE A 1 59  ? -24.42761 15.46329  -18.43678 0.300 42.40107 ? 63  PHE A CE1 1 
ATOM   499  C CE2 A PHE A 1 59  ? -23.60495 16.32295  -23.09645 0.700 45.64957 ? 63  PHE A CE2 1 
ATOM   500  C CE2 B PHE A 1 59  ? -22.39013 14.62801  -17.53814 0.300 39.26885 ? 63  PHE A CE2 1 
ATOM   501  C CZ  A PHE A 1 59  ? -24.76896 16.75665  -22.52366 0.700 43.90399 ? 63  PHE A CZ  1 
ATOM   502  C CZ  B PHE A 1 59  ? -23.52382 15.39561  -17.40577 0.300 42.10076 ? 63  PHE A CZ  1 
ATOM   503  N N   . VAL A 1 60  ? -22.11649 10.68021  -22.76925 1.000 33.18539 ? 64  VAL A N   1 
ATOM   504  C CA  . VAL A 1 60  ? -21.84402 10.06308  -24.06595 1.000 33.72285 ? 64  VAL A CA  1 
ATOM   505  C C   . VAL A 1 60  ? -22.91740 9.04891   -24.40238 1.000 34.61440 ? 64  VAL A C   1 
ATOM   506  O O   . VAL A 1 60  ? -23.37773 8.97750   -25.54497 1.000 36.51826 ? 64  VAL A O   1 
ATOM   507  C CB  . VAL A 1 60  ? -20.46168 9.36632   -24.06391 1.000 34.26644 ? 64  VAL A CB  1 
ATOM   508  C CG1 . VAL A 1 60  ? -20.28938 8.42952   -25.30919 1.000 35.15156 ? 64  VAL A CG1 1 
ATOM   509  C CG2 . VAL A 1 60  ? -19.31205 10.32608  -23.96251 1.000 33.84682 ? 64  VAL A CG2 1 
ATOM   510  N N   . ILE A 1 61  ? -23.20911 8.14306   -23.44640 1.000 31.53455 ? 65  ILE A N   1 
ATOM   511  C CA  . ILE A 1 61  ? -24.22365 7.12546   -23.68153 1.000 32.10131 ? 65  ILE A CA  1 
ATOM   512  C C   . ILE A 1 61  ? -25.56099 7.80361   -23.91756 1.000 33.55464 ? 65  ILE A C   1 
ATOM   513  O O   . ILE A 1 61  ? -26.29377 7.44747   -24.84070 1.000 35.37388 ? 65  ILE A O   1 
ATOM   514  C CB  . ILE A 1 61  ? -24.30179 6.13596   -22.49376 1.000 30.30573 ? 65  ILE A CB  1 
ATOM   515  C CG1 . ILE A 1 61  ? -23.04001 5.27129   -22.38910 1.000 28.25793 ? 65  ILE A CG1 1 
ATOM   516  C CG2 . ILE A 1 61  ? -25.55503 5.28597   -22.64059 1.000 30.13596 ? 65  ILE A CG2 1 
ATOM   517  C CD1 . ILE A 1 61  ? -22.88984 4.47978   -21.04192 1.000 29.10397 ? 65  ILE A CD1 1 
ATOM   518  N N   . ARG A 1 62  ? -25.87769 8.82508   -23.11299 1.000 32.31746 ? 66  ARG A N   1 
ATOM   519  C CA  . ARG A 1 62  ? -27.17856 9.48879   -23.26942 1.000 33.42678 ? 66  ARG A CA  1 
ATOM   520  C C   . ARG A 1 62  ? -27.39228 9.99975   -24.69331 1.000 35.33299 ? 66  ARG A C   1 
ATOM   521  O O   . ARG A 1 62  ? -28.50146 9.93580   -25.22667 1.000 36.71555 ? 66  ARG A O   1 
ATOM   522  C CB  . ARG A 1 62  ? -27.31182 10.64674  -22.28841 1.000 33.54477 ? 66  ARG A CB  1 
ATOM   523  C CG  . ARG A 1 62  ? -28.72678 11.26801  -22.31627 1.000 33.50404 ? 66  ARG A CG  1 
ATOM   524  C CD  . ARG A 1 62  ? -28.95583 12.25261  -21.19138 1.000 35.55148 ? 66  ARG A CD  1 
ATOM   525  N NE  . ARG A 1 62  ? -28.88769 11.63626  -19.86433 1.000 36.17167 ? 66  ARG A NE  1 
ATOM   526  C CZ  . ARG A 1 62  ? -29.85443 10.92561  -19.29560 1.000 36.86618 ? 66  ARG A CZ  1 
ATOM   527  N NH1 . ARG A 1 62  ? -30.96347 10.59574  -19.94761 1.000 36.48765 ? 66  ARG A NH1 1 
ATOM   528  N NH2 . ARG A 1 62  ? -29.71539 10.54478  -18.03689 1.000 33.25249 ? 66  ARG A NH2 1 
ATOM   529  N N   . LYS A 1 63  ? -26.35633 10.57288  -25.29770 1.000 35.67044 ? 67  LYS A N   1 
ATOM   530  C CA  . LYS A 1 63  ? -26.49131 11.15551  -26.62169 1.000 38.32910 ? 67  LYS A CA  1 
ATOM   531  C C   . LYS A 1 63  ? -26.72621 10.08542  -27.67988 1.000 40.29853 ? 67  LYS A C   1 
ATOM   532  O O   . LYS A 1 63  ? -27.46107 10.33222  -28.65203 1.000 40.07076 ? 67  LYS A O   1 
ATOM   533  C CB  . LYS A 1 63  ? -25.24375 12.00944  -26.93242 1.000 39.18156 ? 67  LYS A CB  1 
ATOM   534  C CG  . LYS A 1 63  ? -25.24683 13.31574  -26.11361 1.000 40.94414 ? 67  LYS A CG  1 
ATOM   535  C CD  . LYS A 1 63  ? -24.14259 14.27856  -26.44443 1.000 42.52359 ? 67  LYS A CD  1 
ATOM   536  C CE  . LYS A 1 63  ? -22.83085 13.86120  -25.81959 1.000 42.82768 ? 67  LYS A CE  1 
ATOM   537  N NZ  . LYS A 1 63  ? -21.79522 14.78438  -26.36191 1.000 46.32625 ? 67  LYS A NZ  1 
ATOM   538  N N   . ARG A 1 64  ? -26.09933 8.90530   -27.51504 1.000 38.19394 ? 68  ARG A N   1 
ATOM   539  C CA  . ARG A 1 64  ? -26.29618 7.80947   -28.45868 1.000 42.43150 ? 68  ARG A CA  1 
ATOM   540  C C   . ARG A 1 64  ? -27.71032 7.27224   -28.37172 1.000 42.49286 ? 68  ARG A C   1 
ATOM   541  O O   . ARG A 1 64  ? -28.39446 7.14996   -29.39758 1.000 48.68817 ? 68  ARG A O   1 
ATOM   542  C CB  . ARG A 1 64  ? -25.30385 6.65785   -28.20390 1.000 46.74270 ? 68  ARG A CB  1 
ATOM   543  C CG  . ARG A 1 64  ? -23.80901 6.93849   -28.35204 1.000 46.62317 ? 68  ARG A CG  1 
ATOM   544  C CD  . ARG A 1 64  ? -23.35975 7.14976   -29.80734 1.000 53.85881 ? 68  ARG A CD  1 
ATOM   545  N NE  . ARG A 1 64  ? -21.90783 7.33236   -29.91968 1.000 53.21499 ? 68  ARG A NE  1 
ATOM   546  C CZ  . ARG A 1 64  ? -21.22992 8.38187   -29.46472 1.000 59.99021 ? 68  ARG A CZ  1 
ATOM   547  N NH1 . ARG A 1 64  ? -21.81293 9.33044   -28.72280 1.000 53.43371 ? 68  ARG A NH1 1 
ATOM   548  N NH2 . ARG A 1 64  ? -19.93216 8.48489   -29.74982 1.000 46.22588 ? 68  ARG A NH2 1 
ATOM   549  N N   . ILE A 1 65  ? -28.16065 6.91976   -27.15810 1.000 40.44638 ? 69  ILE A N   1 
ATOM   550  C CA  . ILE A 1 65  ? -29.44059 6.22712   -26.98128 1.000 40.78541 ? 69  ILE A CA  1 
ATOM   551  C C   . ILE A 1 65  ? -30.61804 7.18700   -26.95497 1.000 40.44103 ? 69  ILE A C   1 
ATOM   552  O O   . ILE A 1 65  ? -31.77452 6.74264   -26.96021 1.000 41.20324 ? 69  ILE A O   1 
ATOM   553  C CB  . ILE A 1 65  ? -29.43685 5.32905   -25.72413 1.000 39.93547 ? 69  ILE A CB  1 
ATOM   554  C CG1 . ILE A 1 65  ? -29.40409 6.11565   -24.44132 1.000 37.68140 ? 69  ILE A CG1 1 
ATOM   555  C CG2 . ILE A 1 65  ? -28.21413 4.40103   -25.69699 1.000 40.04428 ? 69  ILE A CG2 1 
ATOM   556  C CD1 . ILE A 1 65  ? -29.66442 5.24819   -23.17719 1.000 36.24027 ? 69  ILE A CD1 1 
ATOM   557  N N   . LYS A 1 66  ? -30.34695 8.48475   -26.94616 1.000 39.38230 ? 70  LYS A N   1 
ATOM   558  C CA  . LYS A 1 66  ? -31.35735 9.52858   -27.16457 1.000 40.17140 ? 70  LYS A CA  1 
ATOM   559  C C   . LYS A 1 66  ? -32.43173 9.47794   -26.08354 1.000 39.36738 ? 70  LYS A C   1 
ATOM   560  O O   . LYS A 1 66  ? -33.61809 9.69887   -26.33511 1.000 36.52582 ? 70  LYS A O   1 
ATOM   561  C CB  . LYS A 1 66  ? -31.93623 9.44279   -28.58370 1.000 40.54569 ? 70  LYS A CB  1 
ATOM   562  C CG  . LYS A 1 66  ? -30.87741 9.72029   -29.69202 1.000 45.36393 ? 70  LYS A CG  1 
ATOM   563  C CD  . LYS A 1 66  ? -31.49007 9.99918   -31.09153 1.000 47.21310 ? 70  LYS A CD  1 
ATOM   564  C CE  . LYS A 1 66  ? -30.90420 11.31107  -31.71102 1.000 52.97596 ? 70  LYS A CE  1 
ATOM   565  N NZ  . LYS A 1 66  ? -31.25205 11.67559  -33.12810 1.000 53.98383 ? 70  LYS A NZ  1 
ATOM   566  N N   . LEU A 1 67  ? -31.97773 9.26048   -24.83920 1.000 38.60156 ? 71  LEU A N   1 
ATOM   567  C CA  . LEU A 1 67  ? -32.85253 9.17357   -23.68097 1.000 38.49428 ? 71  LEU A CA  1 
ATOM   568  C C   . LEU A 1 67  ? -33.03010 10.55489  -23.05879 1.000 38.00103 ? 71  LEU A C   1 
ATOM   569  O O   . LEU A 1 67  ? -32.04860 11.27139  -22.84008 1.000 37.83448 ? 71  LEU A O   1 
ATOM   570  C CB  . LEU A 1 67  ? -32.27128 8.19116   -22.65575 1.000 36.91604 ? 71  LEU A CB  1 
ATOM   571  C CG  . LEU A 1 67  ? -33.22500 7.88223   -21.50048 1.000 38.01678 ? 71  LEU A CG  1 
ATOM   572  C CD1 . LEU A 1 67  ? -34.40547 7.06530   -21.99096 1.000 41.39204 ? 71  LEU A CD1 1 
ATOM   573  C CD2 . LEU A 1 67  ? -32.49393 7.14708   -20.35268 1.000 37.53035 ? 71  LEU A CD2 1 
ATOM   574  N N   . SER A 1 68  ? -34.27878 10.91999  -22.78140 1.000 40.31933 ? 72  SER A N   1 
ATOM   575  C CA  . SER A 1 68  ? -34.56571 12.18237  -22.12161 1.000 42.37836 ? 72  SER A CA  1 
ATOM   576  C C   . SER A 1 68  ? -33.82074 12.29172  -20.79529 1.000 43.21376 ? 72  SER A C   1 
ATOM   577  O O   . SER A 1 68  ? -33.74825 11.33669  -20.02826 1.000 41.68757 ? 72  SER A O   1 
ATOM   578  C CB  . SER A 1 68  ? -36.06255 12.31478  -21.88038 1.000 45.07577 ? 72  SER A CB  1 
ATOM   579  O OG  . SER A 1 68  ? -36.31811 13.41730  -21.05285 1.000 48.76660 ? 72  SER A OG  1 
ATOM   580  N N   . ALA A 1 69  ? -33.34040 13.50128  -20.50225 1.000 45.88473 ? 73  ALA A N   1 
ATOM   581  C CA  . ALA A 1 69  ? -32.57480 13.75918  -19.28839 1.000 46.25420 ? 73  ALA A CA  1 
ATOM   582  C C   . ALA A 1 69  ? -33.38548 13.51924  -18.01162 1.000 50.24733 ? 73  ALA A C   1 
ATOM   583  O O   . ALA A 1 69  ? -32.79834 13.23434  -16.96223 1.000 55.32619 ? 73  ALA A O   1 
ATOM   584  C CB  . ALA A 1 69  ? -32.05951 15.19170  -19.35292 1.000 50.92592 ? 73  ALA A CB  1 
ATOM   585  N N   . GLU A 1 70  ? -34.72063 13.60607  -18.07286 1.000 51.43402 ? 74  GLU A N   1 
ATOM   586  C CA  . GLU A 1 70  ? -35.55366 13.23763  -16.92860 1.000 54.54332 ? 74  GLU A CA  1 
ATOM   587  C C   . GLU A 1 70  ? -35.31447 11.80348  -16.44540 1.000 51.80054 ? 74  GLU A C   1 
ATOM   588  O O   . GLU A 1 70  ? -35.65814 11.48635  -15.30278 1.000 60.22381 ? 74  GLU A O   1 
ATOM   589  C CB  . GLU A 1 70  ? -37.03761 13.41290  -17.27919 1.000 59.98823 ? 74  GLU A CB  1 
ATOM   590  C CG  . GLU A 1 70  ? -37.47255 14.86217  -17.49592 1.000 67.85540 ? 74  GLU A CG  1 
ATOM   591  C CD  . GLU A 1 70  ? -38.89271 15.00080  -18.08632 1.000 78.88520 ? 74  GLU A CD  1 
ATOM   592  O OE1 . GLU A 1 70  ? -39.37454 14.04888  -18.75341 1.000 79.75493 ? 74  GLU A OE1 1 
ATOM   593  O OE2 . GLU A 1 70  ? -39.52538 16.07052  -17.88598 1.000 79.76787 ? 74  GLU A OE2 1 
ATOM   594  N N   . LYS A 1 71  ? -34.75312 10.92388  -17.27593 1.000 46.70180 ? 75  LYS A N   1 
ATOM   595  C CA  . LYS A 1 71  ? -34.59060 9.51136   -16.93971 1.000 42.49147 ? 75  LYS A CA  1 
ATOM   596  C C   . LYS A 1 71  ? -33.10511 9.21020   -16.73621 1.000 39.65968 ? 75  LYS A C   1 
ATOM   597  O O   . LYS A 1 71  ? -32.27984 9.58608   -17.55863 1.000 36.93534 ? 75  LYS A O   1 
ATOM   598  C CB  . LYS A 1 71  ? -35.18036 8.61799   -18.03975 1.000 40.34283 ? 75  LYS A CB  1 
ATOM   599  C CG  . LYS A 1 71  ? -36.71236 8.72216   -18.11911 1.000 43.52891 ? 75  LYS A CG  1 
ATOM   600  C CD  . LYS A 1 71  ? -37.38507 7.35430   -18.15043 1.000 48.87671 ? 75  LYS A CD  1 
ATOM   601  C CE  . LYS A 1 71  ? -38.94208 7.49341   -17.97890 1.000 60.09133 ? 75  LYS A CE  1 
ATOM   602  N NZ  . LYS A 1 71  ? -39.75806 6.32288   -18.51787 1.000 54.78343 ? 75  LYS A NZ  1 
ATOM   603  N N   . ALA A 1 72  ? -32.76215 8.56370   -15.63436 1.000 37.36977 ? 76  ALA A N   1 
ATOM   604  C CA  . ALA A 1 72  ? -31.36092 8.49495   -15.22308 1.000 33.46167 ? 76  ALA A CA  1 
ATOM   605  C C   . ALA A 1 72  ? -30.69277 7.30640   -15.89507 1.000 31.37149 ? 76  ALA A C   1 
ATOM   606  O O   . ALA A 1 72  ? -31.36639 6.34023   -16.25255 1.000 30.43533 ? 76  ALA A O   1 
ATOM   607  C CB  . ALA A 1 72  ? -31.24825 8.38012   -13.68988 1.000 36.04416 ? 76  ALA A CB  1 
ATOM   608  N N   . ILE A 1 73  ? -29.36176 7.39818   -16.08883 1.000 24.40380 ? 77  ILE A N   1 
ATOM   609  C CA  . ILE A 1 73  ? -28.53529 6.32021   -16.62266 1.000 26.64568 ? 77  ILE A CA  1 
ATOM   610  C C   . ILE A 1 73  ? -27.44134 5.99592   -15.62336 1.000 27.38355 ? 77  ILE A C   1 
ATOM   611  O O   . ILE A 1 73  ? -26.80870 6.91763   -15.11604 1.000 26.36966 ? 77  ILE A O   1 
ATOM   612  C CB  . ILE A 1 73  ? -27.90001 6.73804   -17.96925 1.000 26.97661 ? 77  ILE A CB  1 
ATOM   613  C CG1 . ILE A 1 73  ? -28.99902 6.88339   -19.01686 1.000 27.06255 ? 77  ILE A CG1 1 
ATOM   614  C CG2 . ILE A 1 73  ? -26.85552 5.70913   -18.38226 1.000 25.49676 ? 77  ILE A CG2 1 
ATOM   615  C CD1 . ILE A 1 73  ? -28.50804 7.65612   -20.24498 1.000 26.53363 ? 77  ILE A CD1 1 
ATOM   616  N N   . PHE A 1 74  ? -27.19082 4.70279   -15.36736 1.000 23.74816 ? 78  PHE A N   1 
ATOM   617  C CA  . PHE A 1 74  ? -26.16583 4.27890   -14.40714 1.000 24.93205 ? 78  PHE A CA  1 
ATOM   618  C C   . PHE A 1 74  ? -25.18390 3.37938   -15.14274 1.000 22.57271 ? 78  PHE A C   1 
ATOM   619  O O   . PHE A 1 74  ? -25.60190 2.54350   -15.94577 1.000 23.83090 ? 78  PHE A O   1 
ATOM   620  C CB  . PHE A 1 74  ? -26.76323 3.47854   -13.19944 1.000 26.79258 ? 78  PHE A CB  1 
ATOM   621  C CG  . PHE A 1 74  ? -27.74716 4.27069   -12.38048 1.000 27.09382 ? 78  PHE A CG  1 
ATOM   622  C CD1 . PHE A 1 74  ? -29.05617 4.37629   -12.81522 1.000 29.37628 ? 78  PHE A CD1 1 
ATOM   623  C CD2 . PHE A 1 74  ? -27.34991 4.94333   -11.23693 1.000 30.98686 ? 78  PHE A CD2 1 
ATOM   624  C CE1 . PHE A 1 74  ? -29.98474 5.12631   -12.12132 1.000 32.13369 ? 78  PHE A CE1 1 
ATOM   625  C CE2 . PHE A 1 74  ? -28.29781 5.69912   -10.49265 1.000 32.99845 ? 78  PHE A CE2 1 
ATOM   626  C CZ  . PHE A 1 74  ? -29.60488 5.77974   -10.97479 1.000 32.89924 ? 78  PHE A CZ  1 
ATOM   627  N N   . ILE A 1 75  ? -23.89749 3.57490   -14.88906 1.000 21.20232 ? 79  ILE A N   1 
ATOM   628  C CA  . ILE A 1 75  ? -22.83052 2.74093   -15.47236 1.000 21.74089 ? 79  ILE A CA  1 
ATOM   629  C C   . ILE A 1 75  ? -22.37274 1.75615   -14.41549 1.000 21.91063 ? 79  ILE A C   1 
ATOM   630  O O   . ILE A 1 75  ? -22.18408 2.13876   -13.25681 1.000 23.09104 ? 79  ILE A O   1 
ATOM   631  C CB  . ILE A 1 75  ? -21.65404 3.61264   -15.94268 1.000 22.77462 ? 79  ILE A CB  1 
ATOM   632  C CG1 . ILE A 1 75  ? -22.07568 4.39168   -17.20007 1.000 25.02335 ? 79  ILE A CG1 1 
ATOM   633  C CG2 . ILE A 1 75  ? -20.38751 2.78488   -16.24370 1.000 23.90301 ? 79  ILE A CG2 1 
ATOM   634  C CD1 . ILE A 1 75  ? -20.92544 5.22255   -17.70101 1.000 27.63844 ? 79  ILE A CD1 1 
ATOM   635  N N   . PHE A 1 76  ? -22.23686 0.46648   -14.81040 1.000 20.59336 ? 80  PHE A N   1 
ATOM   636  C CA  . PHE A 1 76  ? -21.72885 -0.59583  -13.93564 1.000 23.31150 ? 80  PHE A CA  1 
ATOM   637  C C   . PHE A 1 76  ? -20.44070 -1.17081  -14.51540 1.000 23.52965 ? 80  PHE A C   1 
ATOM   638  O O   . PHE A 1 76  ? -20.22767 -1.16180  -15.75412 1.000 21.90455 ? 80  PHE A O   1 
ATOM   639  C CB  . PHE A 1 76  ? -22.74482 -1.75528  -13.85143 1.000 21.98400 ? 80  PHE A CB  1 
ATOM   640  C CG  . PHE A 1 76  ? -24.05157 -1.37601  -13.28834 1.000 25.59271 ? 80  PHE A CG  1 
ATOM   641  C CD1 . PHE A 1 76  ? -25.04674 -0.78695  -14.08868 1.000 23.15187 ? 80  PHE A CD1 1 
ATOM   642  C CD2 . PHE A 1 76  ? -24.32084 -1.64756  -11.97233 1.000 24.62932 ? 80  PHE A CD2 1 
ATOM   643  C CE1 . PHE A 1 76  ? -26.28538 -0.43735  -13.51246 1.000 27.26330 ? 80  PHE A CE1 1 
ATOM   644  C CE2 . PHE A 1 76  ? -25.55615 -1.31678  -11.40571 1.000 27.75223 ? 80  PHE A CE2 1 
ATOM   645  C CZ  . PHE A 1 76  ? -26.54380 -0.72937  -12.20372 1.000 27.43018 ? 80  PHE A CZ  1 
ATOM   646  N N   . VAL A 1 77  ? -19.52313 -1.60119  -13.64220 1.000 22.91190 ? 81  VAL A N   1 
ATOM   647  C CA  A VAL A 1 77  ? -18.38219 -2.40283  -14.06794 0.500 25.00082 ? 81  VAL A CA  1 
ATOM   648  C CA  B VAL A 1 77  ? -18.35696 -2.39186  -14.05167 0.500 23.77159 ? 81  VAL A CA  1 
ATOM   649  C C   . VAL A 1 77  ? -18.35806 -3.62993  -13.17268 1.000 25.20653 ? 81  VAL A C   1 
ATOM   650  O O   . VAL A 1 77  ? -18.36160 -3.50171  -11.93997 1.000 26.08898 ? 81  VAL A O   1 
ATOM   651  C CB  A VAL A 1 77  ? -17.05066 -1.63102  -13.97645 0.500 25.17348 ? 81  VAL A CB  1 
ATOM   652  C CB  B VAL A 1 77  ? -17.03096 -1.63183  -13.86873 0.500 25.11618 ? 81  VAL A CB  1 
ATOM   653  C CG1 A VAL A 1 77  ? -16.92979 -0.87619  -12.67643 0.500 25.62176 ? 81  VAL A CG1 1 
ATOM   654  C CG1 B VAL A 1 77  ? -15.90018 -2.30935  -14.64934 0.500 25.28608 ? 81  VAL A CG1 1 
ATOM   655  C CG2 A VAL A 1 77  ? -15.88382 -2.56458  -14.17958 0.500 25.79207 ? 81  VAL A CG2 1 
ATOM   656  C CG2 B VAL A 1 77  ? -17.18692 -0.19672  -14.31755 0.500 24.04460 ? 81  VAL A CG2 1 
ATOM   657  N N   . ARG A 1 78  ? -18.29176 -4.81584  -13.77670 1.000 23.64129 ? 82  ARG A N   1 
ATOM   658  C CA  . ARG A 1 78  ? -18.32156 -6.04246  -12.94073 1.000 28.42659 ? 82  ARG A CA  1 
ATOM   659  C C   . ARG A 1 78  ? -19.49840 -5.98622  -11.97200 1.000 28.63725 ? 82  ARG A C   1 
ATOM   660  O O   . ARG A 1 78  ? -19.37887 -6.33311  -10.79182 1.000 29.73153 ? 82  ARG A O   1 
ATOM   661  C CB  . ARG A 1 78  ? -16.98123 -6.23073  -12.20725 1.000 30.52391 ? 82  ARG A CB  1 
ATOM   662  C CG  . ARG A 1 78  ? -15.90846 -6.60416  -13.21928 1.000 33.63513 ? 82  ARG A CG  1 
ATOM   663  C CD  . ARG A 1 78  ? -14.49794 -6.62051  -12.72046 1.000 40.14688 ? 82  ARG A CD  1 
ATOM   664  N NE  . ARG A 1 78  ? -13.74726 -7.21179  -13.82491 1.000 45.97448 ? 82  ARG A NE  1 
ATOM   665  C CZ  . ARG A 1 78  ? -12.54360 -7.74659  -13.73312 1.000 43.63980 ? 82  ARG A CZ  1 
ATOM   666  N NH1 . ARG A 1 78  ? -11.91809 -7.84348  -12.57203 1.000 48.89410 ? 82  ARG A NH1 1 
ATOM   667  N NH2 . ARG A 1 78  ? -11.95051 -8.18967  -14.83906 1.000 40.97225 ? 82  ARG A NH2 1 
ATOM   668  N N   . ASN A 1 79  ? -20.62996 -5.44773  -12.45626 1.000 25.45968 ? 83  ASN A N   1 
ATOM   669  C CA  . ASN A 1 79  ? -21.90527 -5.47859  -11.75386 1.000 26.42959 ? 83  ASN A CA  1 
ATOM   670  C C   . ASN A 1 79  ? -21.98423 -4.48833  -10.60522 1.000 27.09589 ? 83  ASN A C   1 
ATOM   671  O O   . ASN A 1 79  ? -22.95853 -4.54797  -9.81390  1.000 29.48077 ? 83  ASN A O   1 
ATOM   672  C CB  . ASN A 1 79  ? -22.21364 -6.87191  -11.21678 1.000 30.09305 ? 83  ASN A CB  1 
ATOM   673  C CG  . ASN A 1 79  ? -22.38692 -7.84866  -12.32015 1.000 33.74109 ? 83  ASN A CG  1 
ATOM   674  O OD1 . ASN A 1 79  ? -22.94201 -7.49871  -13.38236 1.000 36.65434 ? 83  ASN A OD1 1 
ATOM   675  N ND2 . ASN A 1 79  ? -21.85923 -9.05167  -12.14309 1.000 32.51208 ? 83  ASN A ND2 1 
ATOM   676  N N   . VAL A 1 80  ? -20.98586 -3.61242  -10.44567 1.000 24.02300 ? 84  VAL A N   1 
ATOM   677  C CA  A VAL A 1 80  ? -21.03398 -2.63887  -9.36178  0.500 26.31281 ? 84  VAL A CA  1 
ATOM   678  C CA  B VAL A 1 80  ? -20.99792 -2.64145  -9.36075  0.500 26.24615 ? 84  VAL A CA  1 
ATOM   679  C C   . VAL A 1 80  ? -20.92306 -1.25183  -9.96130  1.000 24.37386 ? 84  VAL A C   1 
ATOM   680  O O   . VAL A 1 80  ? -20.36973 -1.07284  -11.05514 1.000 26.40401 ? 84  VAL A O   1 
ATOM   681  C CB  A VAL A 1 80  ? -19.92995 -2.85351  -8.30851  0.500 26.95041 ? 84  VAL A CB  1 
ATOM   682  C CB  B VAL A 1 80  ? -19.82868 -2.86193  -8.38718  0.500 26.92300 ? 84  VAL A CB  1 
ATOM   683  C CG1 A VAL A 1 80  ? -20.10508 -4.22565  -7.66022  0.500 28.78572 ? 84  VAL A CG1 1 
ATOM   684  C CG1 B VAL A 1 80  ? -19.82481 -1.78642  -7.32353  0.500 27.28742 ? 84  VAL A CG1 1 
ATOM   685  C CG2 A VAL A 1 80  ? -18.54106 -2.69617  -8.94309  0.500 26.63681 ? 84  VAL A CG2 1 
ATOM   686  C CG2 B VAL A 1 80  ? -19.91856 -4.26398  -7.79589  0.500 28.82453 ? 84  VAL A CG2 1 
ATOM   687  N N   . LEU A 1 81  ? -21.47035 -0.25596  -9.23431  1.000 24.67836 ? 85  LEU A N   1 
ATOM   688  C CA  . LEU A 1 81  ? -21.42827 1.11528   -9.75136  1.000 22.73615 ? 85  LEU A CA  1 
ATOM   689  C C   . LEU A 1 81  ? -20.07885 1.74765   -9.40532  1.000 24.64298 ? 85  LEU A C   1 
ATOM   690  O O   . LEU A 1 81  ? -19.81661 1.96117   -8.20691  1.000 26.81074 ? 85  LEU A O   1 
ATOM   691  C CB  . LEU A 1 81  ? -22.52542 1.95685   -9.07358  1.000 25.87979 ? 85  LEU A CB  1 
ATOM   692  C CG  . LEU A 1 81  ? -23.97893 1.47365   -9.21810  1.000 23.69074 ? 85  LEU A CG  1 
ATOM   693  C CD1 . LEU A 1 81  ? -24.85751 2.15973   -8.23250  1.000 27.74420 ? 85  LEU A CD1 1 
ATOM   694  C CD2 . LEU A 1 81  ? -24.42856 1.81238   -10.61008 1.000 25.60952 ? 85  LEU A CD2 1 
ATOM   695  N N   . PRO A 1 82  ? -19.22685 2.10889   -10.36348 1.000 23.60482 ? 86  PRO A N   1 
ATOM   696  C CA  . PRO A 1 82  ? -18.00970 2.85497   -9.99827  1.000 23.78484 ? 86  PRO A CA  1 
ATOM   697  C C   . PRO A 1 82  ? -18.36748 4.28102   -9.65829  1.000 25.22224 ? 86  PRO A C   1 
ATOM   698  O O   . PRO A 1 82  ? -19.40360 4.80871   -10.09727 1.000 25.31673 ? 86  PRO A O   1 
ATOM   699  C CB  . PRO A 1 82  ? -17.13355 2.80752   -11.24423 1.000 23.28702 ? 86  PRO A CB  1 
ATOM   700  C CG  . PRO A 1 82  ? -18.19334 2.76457   -12.41274 1.000 24.55549 ? 86  PRO A CG  1 
ATOM   701  C CD  . PRO A 1 82  ? -19.31592 1.84997   -11.81565 1.000 22.72743 ? 86  PRO A CD  1 
ATOM   702  N N   . PRO A 1 83  ? -17.49272 4.97038   -8.93781  1.000 25.30307 ? 87  PRO A N   1 
ATOM   703  C CA  . PRO A 1 83  ? -17.78272 6.36631   -8.61831  1.000 28.36205 ? 87  PRO A CA  1 
ATOM   704  C C   . PRO A 1 83  ? -17.82741 7.22409   -9.87159  1.000 27.88469 ? 87  PRO A C   1 
ATOM   705  O O   . PRO A 1 83  ? -16.98465 7.10499   -10.76432 1.000 29.31181 ? 87  PRO A O   1 
ATOM   706  C CB  . PRO A 1 83  ? -16.61763 6.76865   -7.70642  1.000 30.53715 ? 87  PRO A CB  1 
ATOM   707  C CG  . PRO A 1 83  ? -16.14663 5.45981   -7.13979  1.000 29.50511 ? 87  PRO A CG  1 
ATOM   708  C CD  . PRO A 1 83  ? -16.33453 4.43478   -8.20394  1.000 27.54670 ? 87  PRO A CD  1 
ATOM   709  N N   . THR A 1 84  ? -18.80428 8.12246   -9.89519  1.000 28.81922 ? 88  THR A N   1 
ATOM   710  C CA  . THR A 1 84  ? -18.97573 9.10453   -10.96769 1.000 29.01466 ? 88  THR A CA  1 
ATOM   711  C C   . THR A 1 84  ? -17.72939 9.94753   -11.17715 1.000 30.69432 ? 88  THR A C   1 
ATOM   712  O O   . THR A 1 84  ? -17.39129 10.28753  -12.30970 1.000 29.49357 ? 88  THR A O   1 
ATOM   713  C CB  . THR A 1 84  ? -20.18633 9.97075   -10.60796 1.000 31.36740 ? 88  THR A CB  1 
ATOM   714  O OG1 . THR A 1 84  ? -21.37523 9.19660   -10.82126 1.000 38.21173 ? 88  THR A OG1 1 
ATOM   715  C CG2 . THR A 1 84  ? -20.27487 11.18549  -11.57014 1.000 35.37604 ? 88  THR A CG2 1 
ATOM   716  N N   . ALA A 1 85  ? -17.00990 10.28231  -10.10059 1.000 30.43559 ? 89  ALA A N   1 
ATOM   717  C CA  . ALA A 1 85  ? -15.83468 11.11544  -10.22861 1.000 31.43910 ? 89  ALA A CA  1 
ATOM   718  C C   . ALA A 1 85  ? -14.59571 10.36540  -10.69278 1.000 30.90993 ? 89  ALA A C   1 
ATOM   719  O O   . ALA A 1 85  ? -13.57362 11.02133  -10.97199 1.000 35.03855 ? 89  ALA A O   1 
ATOM   720  C CB  . ALA A 1 85  ? -15.56967 11.79183  -8.87989  1.000 33.59706 ? 89  ALA A CB  1 
ATOM   721  N N   . ALA A 1 86  ? -14.63453 9.03105   -10.72974 1.000 29.53337 ? 90  ALA A N   1 
ATOM   722  C CA  . ALA A 1 86  ? -13.47573 8.24947   -11.10570 1.000 30.35124 ? 90  ALA A CA  1 
ATOM   723  C C   . ALA A 1 86  ? -13.14430 8.48507   -12.56492 1.000 30.40785 ? 90  ALA A C   1 
ATOM   724  O O   . ALA A 1 86  ? -14.05454 8.53523   -13.39831 1.000 29.89702 ? 90  ALA A O   1 
ATOM   725  C CB  . ALA A 1 86  ? -13.74907 6.75233   -10.92409 1.000 29.73867 ? 90  ALA A CB  1 
ATOM   726  N N   . MET A 1 87  ? -11.85921 8.55023   -12.86786 1.000 31.42571 ? 91  MET A N   1 
ATOM   727  C CA  . MET A 1 87  ? -11.39116 8.63206   -14.25280 1.000 31.45982 ? 91  MET A CA  1 
ATOM   728  C C   . MET A 1 87  ? -11.33139 7.25000   -14.89927 1.000 30.82648 ? 91  MET A C   1 
ATOM   729  O O   . MET A 1 87  ? -11.03945 6.23911   -14.25763 1.000 29.15169 ? 91  MET A O   1 
ATOM   730  C CB  . MET A 1 87  ? -10.03291 9.31367   -14.30004 1.000 35.36349 ? 91  MET A CB  1 
ATOM   731  C CG  . MET A 1 87  ? -10.18983 10.79247  -14.28323 1.000 37.59918 ? 91  MET A CG  1 
ATOM   732  S SD  . MET A 1 87  ? -8.64714  11.61428  -13.97761 1.000 49.44422 ? 91  MET A SD  1 
ATOM   733  C CE  . MET A 1 87  ? -9.19480  13.27098  -14.34878 1.000 56.38272 ? 91  MET A CE  1 
ATOM   734  N N   . MET A 1 88  ? -11.62503 7.20765   -16.19440 1.000 29.43133 ? 92  MET A N   1 
ATOM   735  C CA  A MET A 1 88  ? -11.61975 5.93117   -16.89963 0.500 31.18461 ? 92  MET A CA  1 
ATOM   736  C CA  B MET A 1 88  ? -11.62959 5.92945   -16.88322 0.500 29.63291 ? 92  MET A CA  1 
ATOM   737  C C   . MET A 1 88  ? -10.28880 5.21298   -16.77192 1.000 30.41025 ? 92  MET A C   1 
ATOM   738  O O   . MET A 1 88  ? -10.25416 3.97880   -16.71742 1.000 30.17295 ? 92  MET A O   1 
ATOM   739  C CB  A MET A 1 88  ? -11.96914 6.12112   -18.38199 0.500 28.91891 ? 92  MET A CB  1 
ATOM   740  C CB  B MET A 1 88  ? -12.05190 6.13531   -18.34527 0.500 29.24230 ? 92  MET A CB  1 
ATOM   741  C CG  A MET A 1 88  ? -13.45765 6.12702   -18.68250 0.500 28.66997 ? 92  MET A CG  1 
ATOM   742  C CG  B MET A 1 88  ? -13.48597 6.67436   -18.49028 0.500 28.47729 ? 92  MET A CG  1 
ATOM   743  S SD  A MET A 1 88  ? -14.38024 4.61059   -18.21073 0.500 23.78495 ? 92  MET A SD  1 
ATOM   744  S SD  B MET A 1 88  ? -14.74433 5.60680   -17.71422 0.500 29.47459 ? 92  MET A SD  1 
ATOM   745  C CE  A MET A 1 88  ? -15.84072 5.31399   -17.48024 0.500 29.22007 ? 92  MET A CE  1 
ATOM   746  C CE  B MET A 1 88  ? -14.29232 4.03516   -18.40131 0.500 25.11517 ? 92  MET A CE  1 
ATOM   747  N N   . SER A 1 89  ? -9.16303  5.96032   -16.72240 1.000 31.48531 ? 93  SER A N   1 
ATOM   748  C CA  . SER A 1 89  ? -7.88830  5.27919   -16.51271 1.000 33.15995 ? 93  SER A CA  1 
ATOM   749  C C   . SER A 1 89  ? -7.89463  4.47776   -15.20631 1.000 33.91934 ? 93  SER A C   1 
ATOM   750  O O   . SER A 1 89  ? -7.31993  3.38968   -15.13051 1.000 35.05108 ? 93  SER A O   1 
ATOM   751  C CB  . SER A 1 89  ? -6.72848  6.28977   -16.48077 1.000 34.57852 ? 93  SER A CB  1 
ATOM   752  O OG  . SER A 1 89  ? -6.96165  7.32094   -15.53131 1.000 37.93300 ? 93  SER A OG  1 
ATOM   753  N N   . ALA A 1 90  ? -8.49643  5.02581   -14.16194 1.000 32.64061 ? 94  ALA A N   1 
ATOM   754  C CA  . ALA A 1 90  ? -8.52599  4.32811   -12.88132 1.000 33.74733 ? 94  ALA A CA  1 
ATOM   755  C C   . ALA A 1 90  ? -9.36247  3.05780   -12.96027 1.000 35.60695 ? 94  ALA A C   1 
ATOM   756  O O   . ALA A 1 90  ? -8.93834  2.00165   -12.48913 1.000 36.76382 ? 94  ALA A O   1 
ATOM   757  C CB  . ALA A 1 90  ? -9.06527  5.24808   -11.78509 1.000 36.46874 ? 94  ALA A CB  1 
ATOM   758  N N   . ILE A 1 91  ? -10.56618 3.14866   -13.52012 1.000 31.55857 ? 95  ILE A N   1 
ATOM   759  C CA  . ILE A 1 91  ? -11.43511 1.97787   -13.64077 1.000 33.30818 ? 95  ILE A CA  1 
ATOM   760  C C   . ILE A 1 91  ? -10.75956 0.89389   -14.47560 1.000 33.02000 ? 95  ILE A C   1 
ATOM   761  O O   . ILE A 1 91  ? -10.81293 -0.29628  -14.15264 1.000 32.81399 ? 95  ILE A O   1 
ATOM   762  C CB  . ILE A 1 91  ? -12.76520 2.40843   -14.27204 1.000 30.01709 ? 95  ILE A CB  1 
ATOM   763  C CG1 . ILE A 1 91  ? -13.33001 3.63437   -13.55378 1.000 29.86258 ? 95  ILE A CG1 1 
ATOM   764  C CG2 . ILE A 1 91  ? -13.80764 1.21967   -14.31984 1.000 29.58380 ? 95  ILE A CG2 1 
ATOM   765  C CD1 . ILE A 1 91  ? -13.52727 3.49228   -12.03244 1.000 31.91863 ? 95  ILE A CD1 1 
ATOM   766  N N   . TYR A 1 92  ? -10.08961 1.30680   -15.55435 1.000 30.56454 ? 96  TYR A N   1 
ATOM   767  C CA  . TYR A 1 92  ? -9.33519  0.37366   -16.36905 1.000 33.71382 ? 96  TYR A CA  1 
ATOM   768  C C   . TYR A 1 92  ? -8.28399  -0.32951  -15.53905 1.000 36.09848 ? 96  TYR A C   1 
ATOM   769  O O   . TYR A 1 92  ? -8.22133  -1.55755  -15.50856 1.000 34.93917 ? 96  TYR A O   1 
ATOM   770  C CB  . TYR A 1 92  ? -8.64512  1.10573   -17.50922 1.000 33.76928 ? 96  TYR A CB  1 
ATOM   771  C CG  . TYR A 1 92  ? -7.93671  0.17785   -18.47054 1.000 34.71695 ? 96  TYR A CG  1 
ATOM   772  C CD1 . TYR A 1 92  ? -8.67424  -0.55955  -19.40044 1.000 32.78892 ? 96  TYR A CD1 1 
ATOM   773  C CD2 . TYR A 1 92  ? -6.56019  0.07795   -18.49738 1.000 37.36967 ? 96  TYR A CD2 1 
ATOM   774  C CE1 . TYR A 1 92  ? -8.05436  -1.36522  -20.33448 1.000 32.92290 ? 96  TYR A CE1 1 
ATOM   775  C CE2 . TYR A 1 92  ? -5.92894  -0.75388  -19.40659 1.000 41.03282 ? 96  TYR A CE2 1 
ATOM   776  C CZ  . TYR A 1 92  ? -6.67793  -1.48028  -20.31412 1.000 37.55342 ? 96  TYR A CZ  1 
ATOM   777  O OH  . TYR A 1 92  ? -6.08323  -2.31900  -21.24300 1.000 38.10562 ? 96  TYR A OH  1 
ATOM   778  N N   . ASP A 1 93  ? -7.42468  0.45537   -14.89587 1.000 35.92304 ? 97  ASP A N   1 
ATOM   779  C CA  . ASP A 1 93  ? -6.33191  -0.10666  -14.09549 1.000 39.46147 ? 97  ASP A CA  1 
ATOM   780  C C   . ASP A 1 93  ? -6.81423  -1.21681  -13.14567 1.000 40.69868 ? 97  ASP A C   1 
ATOM   781  O O   . ASP A 1 93  ? -6.14608  -2.26112  -12.98604 1.000 41.87843 ? 97  ASP A O   1 
ATOM   782  C CB  . ASP A 1 93  ? -5.64783  1.03664   -13.32552 1.000 38.93458 ? 97  ASP A CB  1 
ATOM   783  C CG  . ASP A 1 93  ? -4.80850  1.98697   -14.21774 1.000 43.73162 ? 97  ASP A CG  1 
ATOM   784  O OD1 . ASP A 1 93  ? -4.60608  1.69904   -15.42866 1.000 43.97987 ? 97  ASP A OD1 1 
ATOM   785  O OD2 . ASP A 1 93  ? -4.32249  3.04182   -13.67696 1.000 44.02389 ? 97  ASP A OD2 1 
ATOM   786  N N   . GLU A 1 94  ? -7.97930  -1.01188  -12.50951 1.000 39.58862 ? 98  GLU A N   1 
ATOM   787  C CA  . GLU A 1 94  ? -8.49359  -1.84658  -11.41626 1.000 41.33110 ? 98  GLU A CA  1 
ATOM   788  C C   . GLU A 1 94  ? -9.46468  -2.94491  -11.84389 1.000 38.63171 ? 98  GLU A C   1 
ATOM   789  O O   . GLU A 1 94  ? -9.65123  -3.89896  -11.08288 1.000 37.79099 ? 98  GLU A O   1 
ATOM   790  C CB  . GLU A 1 94  ? -9.23088  -0.97691  -10.38104 1.000 43.25545 ? 98  GLU A CB  1 
ATOM   791  C CG  . GLU A 1 94  ? -8.35962  0.05679   -9.65638  1.000 48.79028 ? 98  GLU A CG  1 
ATOM   792  C CD  . GLU A 1 94  ? -9.17358  1.19472   -9.02054  1.000 53.08119 ? 98  GLU A CD  1 
ATOM   793  O OE1 . GLU A 1 94  ? -10.41380 1.23392   -9.21570  1.000 56.59511 ? 98  GLU A OE1 1 
ATOM   794  O OE2 . GLU A 1 94  ? -8.57051  2.06162   -8.34710  1.000 59.62643 ? 98  GLU A OE2 1 
ATOM   795  N N   . HIS A 1 95  ? -10.13583 -2.82095  -13.00445 1.000 36.99963 ? 99  HIS A N   1 
ATOM   796  C CA  . HIS A 1 95  ? -11.20707 -3.74234  -13.38445 1.000 36.53164 ? 99  HIS A CA  1 
ATOM   797  C C   . HIS A 1 95  ? -11.10754 -4.21732  -14.82544 1.000 35.46877 ? 99  HIS A C   1 
ATOM   798  O O   . HIS A 1 95  ? -12.06266 -4.85826  -15.33004 1.000 33.09220 ? 99  HIS A O   1 
ATOM   799  C CB  . HIS A 1 95  ? -12.59502 -3.12237  -13.20126 1.000 35.27465 ? 99  HIS A CB  1 
ATOM   800  C CG  . HIS A 1 95  ? -12.82147 -2.53921  -11.85659 1.000 36.99564 ? 99  HIS A CG  1 
ATOM   801  N ND1 . HIS A 1 95  ? -12.87131 -3.31047  -10.71587 1.000 39.67813 ? 99  HIS A ND1 1 
ATOM   802  C CD2 . HIS A 1 95  ? -12.98495 -1.25635  -11.45731 1.000 38.91493 ? 99  HIS A CD2 1 
ATOM   803  C CE1 . HIS A 1 95  ? -13.03496 -2.52136  -9.66749  1.000 44.22521 ? 99  HIS A CE1 1 
ATOM   804  N NE2 . HIS A 1 95  ? -13.11948 -1.27222  -10.08838 1.000 45.25953 ? 99  HIS A NE2 1 
ATOM   805  N N   . LYS A 1 96  ? -10.00568 -3.90783  -15.51712 1.000 34.35877 ? 100 LYS A N   1 
ATOM   806  C CA  . LYS A 1 96  ? -9.84391  -4.37186  -16.88005 1.000 33.91277 ? 100 LYS A CA  1 
ATOM   807  C C   . LYS A 1 96  ? -9.95853  -5.88926  -16.96815 1.000 34.29475 ? 100 LYS A C   1 
ATOM   808  O O   . LYS A 1 96  ? -9.60434  -6.63772  -16.04877 1.000 32.80432 ? 100 LYS A O   1 
ATOM   809  C CB  . LYS A 1 96  ? -8.50368  -3.91122  -17.46488 1.000 34.84663 ? 100 LYS A CB  1 
ATOM   810  C CG  . LYS A 1 96  ? -7.29155  -4.61563  -16.94485 1.000 36.67116 ? 100 LYS A CG  1 
ATOM   811  C CD  . LYS A 1 96  ? -6.08557  -4.28067  -17.84775 1.000 40.45356 ? 100 LYS A CD  1 
ATOM   812  C CE  . LYS A 1 96  ? -4.76182  -4.66091  -17.22210 1.000 48.72433 ? 100 LYS A CE  1 
ATOM   813  N NZ  . LYS A 1 96  ? -4.27278  -3.62389  -16.28362 1.000 52.34259 ? 100 LYS A NZ  1 
ATOM   814  N N   . ASP A 1 97  ? -10.49180 -6.33693  -18.08907 1.000 33.08959 ? 101 ASP A N   1 
ATOM   815  C CA  . ASP A 1 97  ? -10.68874 -7.74481  -18.35973 1.000 33.76321 ? 101 ASP A CA  1 
ATOM   816  C C   . ASP A 1 97  ? -9.36911  -8.42424  -18.73201 1.000 37.26302 ? 101 ASP A C   1 
ATOM   817  O O   . ASP A 1 97  ? -8.38445  -7.77156  -19.14416 1.000 35.65956 ? 101 ASP A O   1 
ATOM   818  C CB  . ASP A 1 97  ? -11.70140 -7.87301  -19.49919 1.000 34.39202 ? 101 ASP A CB  1 
ATOM   819  C CG  . ASP A 1 97  ? -12.28969 -9.22891  -19.60110 1.000 36.90168 ? 101 ASP A CG  1 
ATOM   820  O OD1 . ASP A 1 97  ? -13.34816 -9.48992  -18.97197 1.000 37.43889 ? 101 ASP A OD1 1 
ATOM   821  O OD2 . ASP A 1 97  ? -11.68037 -10.01814 -20.35000 1.000 37.53562 ? 101 ASP A OD2 1 
ATOM   822  N N   . ASP A 1 98  ? -9.35400  -9.76774  -18.60878 1.000 38.34615 ? 102 ASP A N   1 
ATOM   823  C CA  . ASP A 1 98  ? -8.15667  -10.50554 -19.01184 1.000 39.50310 ? 102 ASP A CA  1 
ATOM   824  C C   . ASP A 1 98  ? -7.82311  -10.27987 -20.47682 1.000 38.19851 ? 102 ASP A C   1 
ATOM   825  O O   . ASP A 1 98  ? -6.68724  -10.52175 -20.89184 1.000 38.67870 ? 102 ASP A O   1 
ATOM   826  C CB  . ASP A 1 98  ? -8.30290  -12.02186 -18.78801 1.000 43.24378 ? 102 ASP A CB  1 
ATOM   827  C CG  . ASP A 1 98  ? -8.28979  -12.42833 -17.29502 1.000 47.53310 ? 102 ASP A CG  1 
ATOM   828  O OD1 . ASP A 1 98  ? -7.77659  -11.66512 -16.44391 1.000 42.98200 ? 102 ASP A OD1 1 
ATOM   829  O OD2 . ASP A 1 98  ? -8.80123  -13.54048 -16.97335 1.000 49.69449 ? 102 ASP A OD2 1 
ATOM   830  N N   . ASP A 1 99  ? -8.80242  -9.88669  -21.29630 1.000 36.47452 ? 103 ASP A N   1 
ATOM   831  C CA  . ASP A 1 99  ? -8.49286  -9.69245  -22.70280 1.000 36.21037 ? 103 ASP A CA  1 
ATOM   832  C C   . ASP A 1 99  ? -7.92481  -8.31367  -22.99362 1.000 36.83947 ? 103 ASP A C   1 
ATOM   833  O O   . ASP A 1 99  ? -7.47814  -8.09523  -24.12407 1.000 37.93390 ? 103 ASP A O   1 
ATOM   834  C CB  . ASP A 1 99  ? -9.72030  -9.99542  -23.59952 1.000 34.04469 ? 103 ASP A CB  1 
ATOM   835  C CG  . ASP A 1 99  ? -10.84800 -9.02567  -23.42624 1.000 34.83503 ? 103 ASP A CG  1 
ATOM   836  O OD1 . ASP A 1 99  ? -10.66844 -7.97304  -22.77311 1.000 31.89557 ? 103 ASP A OD1 1 
ATOM   837  O OD2 . ASP A 1 99  ? -11.94221 -9.29598  -24.02678 1.000 31.64428 ? 103 ASP A OD2 1 
ATOM   838  N N   . GLY A 1 100 ? -7.87150  -7.40148  -21.99722 1.000 34.24449 ? 104 GLY A N   1 
ATOM   839  C CA  . GLY A 1 100 ? -7.29107  -6.08056  -22.18244 1.000 32.52551 ? 104 GLY A CA  1 
ATOM   840  C C   . GLY A 1 100 ? -8.31187  -4.98177  -22.37484 1.000 32.40116 ? 104 GLY A C   1 
ATOM   841  O O   . GLY A 1 100 ? -7.95224  -3.80358  -22.41215 1.000 32.25801 ? 104 GLY A O   1 
ATOM   842  N N   . PHE A 1 101 ? -9.56963  -5.33345  -22.53016 1.000 30.14096 ? 105 PHE A N   1 
ATOM   843  C CA  . PHE A 1 101 ? -10.61730 -4.35448  -22.66576 1.000 30.06522 ? 105 PHE A CA  1 
ATOM   844  C C   . PHE A 1 101 ? -11.20562 -4.08738  -21.30275 1.000 29.44788 ? 105 PHE A C   1 
ATOM   845  O O   . PHE A 1 101 ? -11.22266 -4.96891  -20.45122 1.000 30.51648 ? 105 PHE A O   1 
ATOM   846  C CB  . PHE A 1 101 ? -11.70968 -4.91259  -23.56124 1.000 28.99418 ? 105 PHE A CB  1 
ATOM   847  C CG  . PHE A 1 101 ? -11.36160 -4.90664  -25.01559 1.000 32.95671 ? 105 PHE A CG  1 
ATOM   848  C CD1 . PHE A 1 101 ? -10.57107 -3.87872  -25.56384 1.000 33.70221 ? 105 PHE A CD1 1 
ATOM   849  C CD2 . PHE A 1 101 ? -11.75788 -5.94343  -25.83035 1.000 32.75355 ? 105 PHE A CD2 1 
ATOM   850  C CE1 . PHE A 1 101 ? -10.22705 -3.87325  -26.94204 1.000 34.50304 ? 105 PHE A CE1 1 
ATOM   851  C CE2 . PHE A 1 101 ? -11.45739 -5.92432  -27.20792 1.000 35.83788 ? 105 PHE A CE2 1 
ATOM   852  C CZ  . PHE A 1 101 ? -10.72294 -4.88605  -27.76664 1.000 36.93822 ? 105 PHE A CZ  1 
ATOM   853  N N   . LEU A 1 102 ? -11.79681 -2.90836  -21.14395 1.000 27.41646 ? 106 LEU A N   1 
ATOM   854  C CA  . LEU A 1 102 ? -12.66443 -2.63130  -20.00381 1.000 25.38801 ? 106 LEU A CA  1 
ATOM   855  C C   . LEU A 1 102 ? -14.10486 -2.82662  -20.46560 1.000 23.83079 ? 106 LEU A C   1 
ATOM   856  O O   . LEU A 1 102 ? -14.49044 -2.26285  -21.49162 1.000 24.74243 ? 106 LEU A O   1 
ATOM   857  C CB  . LEU A 1 102 ? -12.47123 -1.20125  -19.51993 1.000 24.84110 ? 106 LEU A CB  1 
ATOM   858  C CG  . LEU A 1 102 ? -13.44482 -0.66207  -18.48799 1.000 27.44037 ? 106 LEU A CG  1 
ATOM   859  C CD1 . LEU A 1 102 ? -13.24606 -1.49412  -17.22522 1.000 25.68361 ? 106 LEU A CD1 1 
ATOM   860  C CD2 . LEU A 1 102 ? -13.09325 0.80579   -18.22632 1.000 26.95661 ? 106 LEU A CD2 1 
ATOM   861  N N   . TYR A 1 103 ? -14.88937 -3.62218  -19.72609 1.000 24.10375 ? 107 TYR A N   1 
ATOM   862  C CA  . TYR A 1 103 ? -16.27086 -3.88805  -20.10036 1.000 24.95031 ? 107 TYR A CA  1 
ATOM   863  C C   . TYR A 1 103 ? -17.15319 -3.09527  -19.14261 1.000 24.14714 ? 107 TYR A C   1 
ATOM   864  O O   . TYR A 1 103 ? -17.05409 -3.28814  -17.92103 1.000 26.07411 ? 107 TYR A O   1 
ATOM   865  C CB  . TYR A 1 103 ? -16.60148 -5.37737  -20.02014 1.000 25.24745 ? 107 TYR A CB  1 
ATOM   866  C CG  . TYR A 1 103 ? -15.98834 -6.18709  -21.15819 1.000 26.64563 ? 107 TYR A CG  1 
ATOM   867  C CD1 . TYR A 1 103 ? -14.64991 -6.57200  -21.11656 1.000 29.06288 ? 107 TYR A CD1 1 
ATOM   868  C CD2 . TYR A 1 103 ? -16.76302 -6.54912  -22.26849 1.000 25.45697 ? 107 TYR A CD2 1 
ATOM   869  C CE1 . TYR A 1 103 ? -14.08716 -7.26273  -22.13944 1.000 29.61741 ? 107 TYR A CE1 1 
ATOM   870  C CE2 . TYR A 1 103 ? -16.17899 -7.24117  -23.30640 1.000 27.89452 ? 107 TYR A CE2 1 
ATOM   871  C CZ  . TYR A 1 103 ? -14.85544 -7.59049  -23.22166 1.000 29.31054 ? 107 TYR A CZ  1 
ATOM   872  O OH  . TYR A 1 103 ? -14.27691 -8.28639  -24.23390 1.000 29.65480 ? 107 TYR A OH  1 
ATOM   873  N N   . LEU A 1 104 ? -18.04184 -2.26753  -19.69249 1.000 22.59559 ? 108 LEU A N   1 
ATOM   874  C CA  . LEU A 1 104 ? -19.00075 -1.49246  -18.92379 1.000 22.61959 ? 108 LEU A CA  1 
ATOM   875  C C   . LEU A 1 104 ? -20.40072 -1.97450  -19.28916 1.000 24.19229 ? 108 LEU A C   1 
ATOM   876  O O   . LEU A 1 104 ? -20.62158 -2.35577  -20.43612 1.000 24.32615 ? 108 LEU A O   1 
ATOM   877  C CB  . LEU A 1 104 ? -18.92520 -0.00254  -19.22534 1.000 22.16128 ? 108 LEU A CB  1 
ATOM   878  C CG  . LEU A 1 104 ? -17.60926 0.68144   -18.89334 1.000 24.94114 ? 108 LEU A CG  1 
ATOM   879  C CD1 . LEU A 1 104 ? -17.87503 2.17150   -19.09507 1.000 26.43829 ? 108 LEU A CD1 1 
ATOM   880  C CD2 . LEU A 1 104 ? -17.17357 0.36543   -17.51643 1.000 25.52277 ? 108 LEU A CD2 1 
ATOM   881  N N   . THR A 1 105 ? -21.34056 -1.96747  -18.32868 1.000 23.24759 ? 109 THR A N   1 
ATOM   882  C CA  . THR A 1 105 ? -22.75242 -2.09662  -18.71095 1.000 23.50131 ? 109 THR A CA  1 
ATOM   883  C C   . THR A 1 105 ? -23.51597 -0.86438  -18.21708 1.000 23.69897 ? 109 THR A C   1 
ATOM   884  O O   . THR A 1 105 ? -23.00963 -0.07655  -17.41179 1.000 23.77417 ? 109 THR A O   1 
ATOM   885  C CB  . THR A 1 105 ? -23.39084 -3.38713  -18.17132 1.000 25.09075 ? 109 THR A CB  1 
ATOM   886  O OG1 . THR A 1 105 ? -23.28331 -3.45220  -16.73914 1.000 25.21710 ? 109 THR A OG1 1 
ATOM   887  C CG2 . THR A 1 105 ? -22.71331 -4.64010  -18.80389 1.000 24.44742 ? 109 THR A CG2 1 
ATOM   888  N N   . TYR A 1 106 ? -24.71040 -0.64934  -18.73532 1.000 24.30150 ? 110 TYR A N   1 
ATOM   889  C CA  . TYR A 1 106 ? -25.48355 0.50296   -18.28976 1.000 24.44931 ? 110 TYR A CA  1 
ATOM   890  C C   . TYR A 1 106 ? -26.94660 0.11009   -18.16494 1.000 26.79304 ? 110 TYR A C   1 
ATOM   891  O O   . TYR A 1 106 ? -27.39800 -0.86868  -18.74173 1.000 27.34013 ? 110 TYR A O   1 
ATOM   892  C CB  . TYR A 1 106 ? -25.28361 1.69692   -19.21947 1.000 23.81749 ? 110 TYR A CB  1 
ATOM   893  C CG  . TYR A 1 106 ? -25.91840 1.47645   -20.57828 1.000 25.46946 ? 110 TYR A CG  1 
ATOM   894  C CD1 . TYR A 1 106 ? -25.23034 0.84510   -21.58772 1.000 26.02739 ? 110 TYR A CD1 1 
ATOM   895  C CD2 . TYR A 1 106 ? -27.23156 1.83577   -20.80418 1.000 27.48218 ? 110 TYR A CD2 1 
ATOM   896  C CE1 . TYR A 1 106 ? -25.80862 0.62576   -22.85544 1.000 28.77696 ? 110 TYR A CE1 1 
ATOM   897  C CE2 . TYR A 1 106 ? -27.81951 1.62325   -22.04901 1.000 30.12895 ? 110 TYR A CE2 1 
ATOM   898  C CZ  . TYR A 1 106 ? -27.12034 1.00023   -23.06547 1.000 31.38170 ? 110 TYR A CZ  1 
ATOM   899  O OH  . TYR A 1 106 ? -27.73544 0.76815   -24.32546 1.000 31.71831 ? 110 TYR A OH  1 
ATOM   900  N N   . SER A 1 107 ? -27.66873 0.84871   -17.32698 1.000 26.48679 ? 111 SER A N   1 
ATOM   901  C CA  . SER A 1 107 ? -29.09260 0.61988   -17.18872 1.000 29.42884 ? 111 SER A CA  1 
ATOM   902  C C   . SER A 1 107 ? -29.72359 1.93277   -16.74294 1.000 31.45381 ? 111 SER A C   1 
ATOM   903  O O   . SER A 1 107 ? -29.02812 2.92034   -16.45990 1.000 28.15564 ? 111 SER A O   1 
ATOM   904  C CB  . SER A 1 107 ? -29.39649 -0.47274  -16.16190 1.000 35.63743 ? 111 SER A CB  1 
ATOM   905  O OG  . SER A 1 107 ? -29.32002 0.13733   -14.88346 1.000 43.62587 ? 111 SER A OG  1 
ATOM   906  N N   . GLY A 1 108 ? -31.04666 1.91173   -16.64106 1.000 35.04662 ? 112 GLY A N   1 
ATOM   907  C CA  . GLY A 1 108 ? -31.78017 3.00468   -15.99877 1.000 33.98532 ? 112 GLY A CA  1 
ATOM   908  C C   . GLY A 1 108 ? -32.14079 2.66339   -14.57223 1.000 38.99353 ? 112 GLY A C   1 
ATOM   909  O O   . GLY A 1 108 ? -31.46527 1.86725   -13.90521 1.000 36.63086 ? 112 GLY A O   1 
ATOM   910  N N   . GLU A 1 109 ? -33.22493 3.27397   -14.09083 1.000 39.51107 ? 113 GLU A N   1 
ATOM   911  C CA  . GLU A 1 109 ? -33.71438 2.97094   -12.77057 1.000 42.95129 ? 113 GLU A CA  1 
ATOM   912  C C   . GLU A 1 109 ? -34.68835 1.78290   -12.86340 1.000 41.72035 ? 113 GLU A C   1 
ATOM   913  O O   . GLU A 1 109 ? -35.20471 1.34462   -11.84321 1.000 49.47267 ? 113 GLU A O   1 
ATOM   914  C CB  . GLU A 1 109 ? -34.36614 4.22859   -12.14367 1.000 42.77079 ? 113 GLU A CB  1 
ATOM   915  C CG  . GLU A 1 109 ? -33.34072 5.20476   -11.53153 1.000 42.40348 ? 113 GLU A CG  1 
ATOM   916  C CD  . GLU A 1 109 ? -33.94454 6.49010   -10.95220 1.000 44.62953 ? 113 GLU A CD  1 
ATOM   917  O OE1 . GLU A 1 109 ? -35.14843 6.52645   -10.66317 1.000 47.01685 ? 113 GLU A OE1 1 
ATOM   918  O OE2 . GLU A 1 109 ? -33.19958 7.49701   -10.78428 1.000 44.90581 ? 113 GLU A OE2 1 
ATOM   919  N N   . ASP B 2 1   ? -13.88740 -0.81163  -36.31103 1.000 40.97714 ? 1   ASP D N   1 
ATOM   920  C CA  . ASP B 2 1   ? -13.73325 0.61204   -36.04373 1.000 38.88430 ? 1   ASP D CA  1 
ATOM   921  C C   . ASP B 2 1   ? -14.21542 0.98290   -34.67353 1.000 37.72463 ? 1   ASP D C   1 
ATOM   922  O O   . ASP B 2 1   ? -15.18280 0.37274   -34.15684 1.000 40.12177 ? 1   ASP D O   1 
ATOM   923  C CB  . ASP B 2 1   ? -14.50414 1.46794   -37.05079 1.000 40.17565 ? 1   ASP D CB  1 
ATOM   924  C CG  . ASP B 2 1   ? -13.78401 1.60611   -38.38921 1.000 42.61966 ? 1   ASP D CG  1 
ATOM   925  O OD1 . ASP B 2 1   ? -12.53820 1.69998   -38.40963 1.000 42.44588 ? 1   ASP D OD1 1 
ATOM   926  O OD2 . ASP B 2 1   ? -14.48435 1.66199   -39.41145 1.000 45.06171 ? 1   ASP D OD2 1 
ATOM   927  N N   . TRP B 2 2   ? -13.60195 2.03448   -34.14929 1.000 35.15002 ? 2   TRP D N   1 
ATOM   928  C CA  . TRP B 2 2   ? -13.82313 2.54758   -32.79273 1.000 35.66463 ? 2   TRP D CA  1 
ATOM   929  C C   . TRP B 2 2   ? -14.62738 3.84855   -32.78462 1.000 35.66668 ? 2   TRP D C   1 
ATOM   930  O O   . TRP B 2 2   ? -14.40724 4.72755   -33.62120 1.000 35.13479 ? 2   TRP D O   1 
ATOM   931  C CB  . TRP B 2 2   ? -12.48217 2.77273   -32.11129 1.000 35.62452 ? 2   TRP D CB  1 
ATOM   932  C CG  . TRP B 2 2   ? -11.86281 1.49147   -31.77861 1.000 36.18449 ? 2   TRP D CG  1 
ATOM   933  C CD1 . TRP B 2 2   ? -11.11779 0.69854   -32.59238 1.000 37.64439 ? 2   TRP D CD1 1 
ATOM   934  C CD2 . TRP B 2 2   ? -11.96610 0.81362   -30.52658 1.000 35.06910 ? 2   TRP D CD2 1 
ATOM   935  N NE1 . TRP B 2 2   ? -10.71470 -0.43797  -31.90011 1.000 37.82522 ? 2   TRP D NE1 1 
ATOM   936  C CE2 . TRP B 2 2   ? -11.23263 -0.38316  -30.63647 1.000 37.69178 ? 2   TRP D CE2 1 
ATOM   937  C CE3 . TRP B 2 2   ? -12.61094 1.11001   -29.31351 1.000 32.58961 ? 2   TRP D CE3 1 
ATOM   938  C CZ2 . TRP B 2 2   ? -11.12753 -1.28932  -29.59215 1.000 38.36846 ? 2   TRP D CZ2 1 
ATOM   939  C CZ3 . TRP B 2 2   ? -12.49786 0.20519   -28.26819 1.000 33.69582 ? 2   TRP D CZ3 1 
ATOM   940  C CH2 . TRP B 2 2   ? -11.77845 -0.99185  -28.42190 1.000 35.77512 ? 2   TRP D CH2 1 
ATOM   941  N N   . GLU B 2 3   ? -15.55424 3.99617   -31.82376 1.000 30.96890 ? 3   GLU D N   1 
ATOM   942  C CA  . GLU B 2 3   ? -16.09241 5.32089   -31.56502 1.000 34.42366 ? 3   GLU D CA  1 
ATOM   943  C C   . GLU B 2 3   ? -15.08475 6.12655   -30.75208 1.000 34.31529 ? 3   GLU D C   1 
ATOM   944  O O   . GLU B 2 3   ? -14.58259 5.63496   -29.74430 1.000 33.94739 ? 3   GLU D O   1 
ATOM   945  C CB  . GLU B 2 3   ? -17.44041 5.21168   -30.83593 1.000 33.10256 ? 3   GLU D CB  1 
ATOM   946  C CG  . GLU B 2 3   ? -18.48649 4.56241   -31.72024 1.000 37.97973 ? 3   GLU D CG  1 
ATOM   947  C CD  . GLU B 2 3   ? -18.71286 5.31518   -33.01119 1.000 43.20721 ? 3   GLU D CD  1 
ATOM   948  O OE1 . GLU B 2 3   ? -19.15547 6.47843   -32.91073 1.000 45.15176 ? 3   GLU D OE1 1 
ATOM   949  O OE2 . GLU B 2 3   ? -18.45261 4.76938   -34.13429 1.000 42.35182 ? 3   GLU D OE2 1 
ATOM   950  N N   . ILE B 2 4   ? -14.79502 7.35883   -31.16699 1.000 30.08040 ? 4   ILE D N   1 
ATOM   951  C CA  . ILE B 2 4   ? -13.81964 8.22209   -30.49571 1.000 31.01742 ? 4   ILE D CA  1 
ATOM   952  C C   . ILE B 2 4   ? -14.55540 9.30200   -29.72394 1.000 33.90452 ? 4   ILE D C   1 
ATOM   953  O O   . ILE B 2 4   ? -15.30950 10.09943  -30.32226 1.000 29.96463 ? 4   ILE D O   1 
ATOM   954  C CB  . ILE B 2 4   ? -12.84003 8.87372   -31.47688 1.000 31.64030 ? 4   ILE D CB  1 
ATOM   955  C CG1 . ILE B 2 4   ? -12.11669 7.80501   -32.30466 1.000 33.77603 ? 4   ILE D CG1 1 
ATOM   956  C CG2 . ILE B 2 4   ? -11.88090 9.82175   -30.69522 1.000 31.23210 ? 4   ILE D CG2 1 
ATOM   957  C CD1 . ILE B 2 4   ? -11.07624 7.04480   -31.51044 1.000 33.15311 ? 4   ILE D CD1 1 
ATOM   958  N N   . VAL B 2 5   ? -14.34056 9.31679   -28.38937 1.000 29.69568 ? 5   VAL D N   1 
ATOM   959  C CA  . VAL B 2 5   ? -15.00517 10.26418  -27.51236 1.000 33.92122 ? 5   VAL D CA  1 
ATOM   960  C C   . VAL B 2 5   ? -14.16379 11.50649  -27.23614 1.000 36.02420 ? 5   VAL D C   1 
ATOM   961  O O   . VAL B 2 5   ? -12.93944 11.47864  -27.25271 1.000 34.20094 ? 5   VAL D O   1 
ATOM   962  C CB  . VAL B 2 5   ? -15.41252 9.55737   -26.20351 1.000 35.78110 ? 5   VAL D CB  1 
ATOM   963  C CG1 . VAL B 2 5   ? -15.95234 10.58241  -25.19107 1.000 39.63673 ? 5   VAL D CG1 1 
ATOM   964  C CG2 . VAL B 2 5   ? -16.44809 8.50712   -26.52888 1.000 36.22547 ? 5   VAL D CG2 1 
ATOM   965  O OXT . VAL B 2 5   ? -14.70840 12.59478  -27.01666 1.000 41.60871 ? 5   VAL D OXT 1 
HETATM 966  O O   . HOH C 3 .   ? -5.14538  3.40821   -16.81905 1.000 44.84727 ? 201 HOH A O   1 
HETATM 967  O O   . HOH C 3 .   ? -21.34978 -7.98021  -30.26278 1.000 40.88293 ? 202 HOH A O   1 
HETATM 968  O O   . HOH C 3 .   ? -38.38826 4.50098   -18.40378 1.000 54.61801 ? 203 HOH A O   1 
HETATM 969  O O   . HOH C 3 .   ? -3.75526  -2.37511  -13.04626 1.000 47.26978 ? 204 HOH A O   1 
HETATM 970  O O   . HOH C 3 .   ? -31.00845 13.04824  -24.16667 1.000 39.78608 ? 205 HOH A O   1 
HETATM 971  O O   . HOH C 3 .   ? -0.53023  1.88725   -23.21925 1.000 42.23325 ? 206 HOH A O   1 
HETATM 972  O O   . HOH C 3 .   ? -14.37923 -7.87907  -17.38082 1.000 34.72351 ? 207 HOH A O   1 
HETATM 973  O O   . HOH C 3 .   ? -4.14105  4.94080   -21.18561 1.000 44.36100 ? 208 HOH A O   1 
HETATM 974  O O   . HOH C 3 .   ? -22.20350 8.53787   -13.11245 1.000 34.75470 ? 209 HOH A O   1 
HETATM 975  O O   . HOH C 3 .   ? -5.72506  -20.50980 -30.00282 1.000 48.56365 ? 210 HOH A O   1 
HETATM 976  O O   . HOH C 3 .   ? -12.06701 -7.19767  -31.07549 1.000 44.36333 ? 211 HOH A O   1 
HETATM 977  O O   . HOH C 3 .   ? -25.97924 -3.97058  -25.60205 1.000 33.32655 ? 212 HOH A O   1 
HETATM 978  O O   . HOH C 3 .   ? -5.52193  2.46232   -25.48843 1.000 35.72837 ? 213 HOH A O   1 
HETATM 979  O O   . HOH C 3 .   ? -27.08820 -5.02392  -29.18055 1.000 48.35179 ? 214 HOH A O   1 
HETATM 980  O O   . HOH C 3 .   ? -18.31822 -5.12729  -16.51912 1.000 29.24303 ? 215 HOH A O   1 
HETATM 981  O O   . HOH C 3 .   ? 1.21570   6.67994   -30.20985 1.000 42.82648 ? 216 HOH A O   1 
HETATM 982  O O   . HOH C 3 .   ? 3.00267   4.60571   -28.68714 1.000 46.02661 ? 217 HOH A O   1 
HETATM 983  O O   . HOH C 3 .   ? -2.214    9.019     -20.849   1.000 49.56010 ? 218 HOH A O   1 
HETATM 984  O O   . HOH C 3 .   ? -6.09539  9.78550   -16.01914 1.000 41.33223 ? 219 HOH A O   1 
HETATM 985  O O   . HOH C 3 .   ? -24.67703 -5.18559  -15.27952 1.000 33.66171 ? 220 HOH A O   1 
HETATM 986  O O   . HOH C 3 .   ? -27.38549 -6.43583  -23.45822 1.000 38.20678 ? 221 HOH A O   1 
HETATM 987  O O   . HOH C 3 .   ? -33.31511 0.04207   -16.64068 1.000 42.35212 ? 222 HOH A O   1 
HETATM 988  O O   . HOH C 3 .   ? -3.62050  -0.37724  -16.85403 1.000 48.84448 ? 223 HOH A O   1 
HETATM 989  O O   . HOH C 3 .   ? -12.26174 -12.47263 -21.33216 1.000 39.83012 ? 224 HOH A O   1 
HETATM 990  O O   . HOH C 3 .   ? -19.91929 -5.05900  -21.37245 1.000 28.71911 ? 225 HOH A O   1 
HETATM 991  O O   . HOH C 3 .   ? -17.70183 14.07602  -13.76666 1.000 35.23058 ? 226 HOH A O   1 
HETATM 992  O O   . HOH C 3 .   ? -13.04249 13.70471  -10.99221 1.000 35.36224 ? 227 HOH A O   1 
HETATM 993  O O   . HOH C 3 .   ? -25.55738 -5.03000  -10.54138 1.000 32.54150 ? 228 HOH A O   1 
HETATM 994  O O   . HOH C 3 .   ? -21.58433 4.49886   -11.72958 1.000 26.45408 ? 229 HOH A O   1 
HETATM 995  O O   . HOH C 3 .   ? -20.10942 -9.13705  -34.15298 1.000 43.19327 ? 230 HOH A O   1 
HETATM 996  O O   . HOH C 3 .   ? -22.78611 -6.48210  -27.96172 1.000 37.08273 ? 231 HOH A O   1 
HETATM 997  O O   . HOH C 3 .   ? -13.74827 -5.18410  -17.50272 1.000 27.26408 ? 232 HOH A O   1 
HETATM 998  O O   . HOH C 3 .   ? -17.78392 1.58229   -6.34100  1.000 35.63375 ? 233 HOH A O   1 
HETATM 999  O O   . HOH C 3 .   ? -23.17312 12.13217  -15.22295 1.000 36.51688 ? 234 HOH A O   1 
HETATM 1000 O O   . HOH C 3 .   ? -28.75897 11.02651  -34.20999 1.000 57.34372 ? 235 HOH A O   1 
HETATM 1001 O O   . HOH C 3 .   ? -1.55869  -7.13756  -31.12603 1.000 47.46353 ? 236 HOH A O   1 
HETATM 1002 O O   . HOH C 3 .   ? -5.21748  4.79478   -11.65601 1.000 41.85843 ? 237 HOH A O   1 
HETATM 1003 O O   . HOH C 3 .   ? -18.86546 13.52817  -22.28270 1.000 39.51858 ? 238 HOH A O   1 
HETATM 1004 O O   . HOH C 3 .   ? -21.40137 -7.53466  -15.77841 1.000 38.92395 ? 239 HOH A O   1 
HETATM 1005 O O   . HOH C 3 .   ? -0.95952  7.67853   -36.90681 1.000 41.67869 ? 240 HOH A O   1 
HETATM 1006 O O   . HOH C 3 .   ? -23.28700 5.88776   -13.26403 1.000 27.69576 ? 241 HOH A O   1 
HETATM 1007 O O   . HOH C 3 .   ? -21.05850 -4.75513  -15.33325 1.000 30.06166 ? 242 HOH A O   1 
HETATM 1008 O O   . HOH C 3 .   ? -19.52356 -9.20305  -23.72497 1.000 31.36584 ? 243 HOH A O   1 
HETATM 1009 O O   . HOH C 3 .   ? -19.54292 -1.83442  -32.24987 1.000 38.86863 ? 244 HOH A O   1 
HETATM 1010 O O   . HOH C 3 .   ? -33.88227 15.91369  -22.14418 1.000 43.04069 ? 245 HOH A O   1 
HETATM 1011 O O   . HOH C 3 .   ? -26.31865 12.77617  -18.89427 1.000 38.59826 ? 246 HOH A O   1 
HETATM 1012 O O   . HOH C 3 .   ? -34.35037 9.58419   -12.56222 1.000 47.90586 ? 247 HOH A O   1 
HETATM 1013 O O   . HOH C 3 .   ? -38.68672 14.62229  -22.43161 1.000 53.23687 ? 248 HOH A O   1 
HETATM 1014 O O   . HOH C 3 .   ? -30.86958 -4.04162  -15.26558 1.000 48.02772 ? 249 HOH A O   1 
HETATM 1015 O O   . HOH C 3 .   ? -18.16867 1.67795   -36.60061 1.000 43.87307 ? 250 HOH A O   1 
HETATM 1016 O O   . HOH C 3 .   ? -7.89210  -8.77664  -33.57862 1.000 47.12428 ? 251 HOH A O   1 
HETATM 1017 O O   . HOH C 3 .   ? -24.95310 7.96301   -12.95478 1.000 34.08980 ? 252 HOH A O   1 
HETATM 1018 O O   . HOH C 3 .   ? -11.53371 -11.02321 -16.90412 1.000 40.18320 ? 253 HOH A O   1 
HETATM 1019 O O   . HOH C 3 .   ? -23.09919 -1.04168  -6.73219  1.000 32.03134 ? 254 HOH A O   1 
HETATM 1020 O O   . HOH C 3 .   ? -4.43879  -7.54322  -24.32279 1.000 41.58040 ? 255 HOH A O   1 
HETATM 1021 O O   . HOH C 3 .   ? -10.17192 -15.98382 -18.30430 1.000 49.57580 ? 256 HOH A O   1 
HETATM 1022 O O   . HOH C 3 .   ? -25.74120 -7.26251  -16.70979 1.000 39.37757 ? 257 HOH A O   1 
HETATM 1023 O O   . HOH C 3 .   ? -35.16245 7.80494   -13.79157 1.000 41.17058 ? 258 HOH A O   1 
HETATM 1024 O O   . HOH C 3 .   ? -28.59746 3.69506   -29.72210 1.000 47.95312 ? 259 HOH A O   1 
HETATM 1025 O O   . HOH C 3 .   ? -28.372   13.331    -28.982   1.000 45.17204 ? 260 HOH A O   1 
HETATM 1026 O O   . HOH C 3 .   ? -6.80408  11.73560  -21.35449 1.000 46.53781 ? 261 HOH A O   1 
HETATM 1027 O O   . HOH C 3 .   ? -12.78619 -17.98286 -27.26674 1.000 43.63037 ? 262 HOH A O   1 
HETATM 1028 O O   . HOH C 3 .   ? -9.48922  8.23184   -10.75113 1.000 32.22665 ? 263 HOH A O   1 
HETATM 1029 O O   . HOH C 3 .   ? -36.851   3.834     -21.353   1.000 43.96750 ? 264 HOH A O   1 
HETATM 1030 O O   . HOH C 3 .   ? 1.04878   -3.20984  -31.83126 1.000 41.24426 ? 265 HOH A O   1 
HETATM 1031 O O   . HOH C 3 .   ? -21.19791 -11.03160 -22.43942 1.000 42.22710 ? 266 HOH A O   1 
HETATM 1032 O O   . HOH C 3 .   ? -1.23888  -14.66165 -24.73213 1.000 47.69739 ? 267 HOH A O   1 
HETATM 1033 O O   . HOH C 3 .   ? -1.00943  -16.07318 -30.29255 1.000 43.77365 ? 268 HOH A O   1 
HETATM 1034 O O   . HOH C 3 .   ? -8.87984  13.87059  -25.63535 1.000 46.10964 ? 269 HOH A O   1 
HETATM 1035 O O   . HOH C 3 .   ? -40.509   11.667    -20.813   1.000 54.43980 ? 270 HOH A O   1 
HETATM 1036 O O   . HOH C 3 .   ? -40.793   17.293    -20.743   1.000 60.94784 ? 271 HOH A O   1 
HETATM 1037 O O   . HOH C 3 .   ? -4.040    -10.133   -34.860   1.000 46.67076 ? 272 HOH A O   1 
HETATM 1038 O O   . HOH C 3 .   ? -13.198   -15.655   -22.659   1.000 40.91082 ? 273 HOH A O   1 
HETATM 1039 O O   . HOH C 3 .   ? -23.51392 -11.29833 -21.92105 1.000 49.10524 ? 274 HOH A O   1 
HETATM 1040 O O   . HOH C 3 .   ? -12.98194 -13.20962 -18.16152 1.000 46.27335 ? 275 HOH A O   1 
HETATM 1041 O O   . HOH C 3 .   ? -7.40941  12.20029  -25.05834 1.000 42.38449 ? 276 HOH A O   1 
HETATM 1042 O O   . HOH C 3 .   ? -20.31122 -7.00055  -19.75814 1.000 39.01422 ? 277 HOH A O   1 
HETATM 1043 O O   . HOH C 3 .   ? -25.30909 -9.79894  -15.49032 1.000 51.21937 ? 278 HOH A O   1 
HETATM 1044 O O   . HOH C 3 .   ? -37.59007 16.84893  -22.58564 1.000 45.12815 ? 279 HOH A O   1 
HETATM 1045 O O   . HOH C 3 .   ? -40.112   -6.283    -20.022   1.000 55.52168 ? 280 HOH A O   1 
HETATM 1046 O O   . HOH C 3 .   ? -6.339    -13.908   -33.718   1.000 43.99780 ? 281 HOH A O   1 
HETATM 1047 O O   . HOH C 3 .   ? -10.93442 -14.87644 -20.57389 1.000 46.50287 ? 282 HOH A O   1 
HETATM 1048 O O   . HOH C 3 .   ? -18.89372 -4.15850  -31.76676 1.000 39.63510 ? 283 HOH A O   1 
HETATM 1049 O O   . HOH C 3 .   ? -0.94785  10.28909  -36.44966 1.000 35.84639 ? 284 HOH A O   1 
HETATM 1050 O O   . HOH D 3 .   ? -11.91146 -2.11806  -35.26016 1.000 45.36961 ? 101 HOH D O   1 
HETATM 1051 O O   . HOH D 3 .   ? -17.10694 13.75089  -27.24073 1.000 44.43105 ? 102 HOH D O   1 
HETATM 1052 O O   . HOH D 3 .   ? -11.57081 3.00326   -35.65864 1.000 33.50200 ? 103 HOH D O   1 
HETATM 1053 O O   . HOH D 3 .   ? -16.83365 2.94968   -39.86534 1.000 42.18943 ? 104 HOH D O   1 
HETATM 1054 O O   . HOH D 3 .   ? -18.08216 10.60802  -30.47986 1.000 33.77883 ? 105 HOH D O   1 
HETATM 1055 O O   . HOH D 3 .   ? -15.234   5.219     -36.543   1.000 39.09205 ? 106 HOH D O   1 
HETATM 1056 O O   . HOH D 3 .   ? -18.59296 12.92458  -28.65955 1.000 40.86929 ? 107 HOH D 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   . SER A 1   ? 0.43304 0.50074 0.56924 -0.07763 -0.05270 -0.13937 5   SER A N   
2   C CA  . SER A 1   ? 0.41405 0.48765 0.54472 -0.07638 -0.06222 -0.15552 5   SER A CA  
3   C C   . SER A 1   ? 0.39189 0.46880 0.49924 -0.05650 -0.07033 -0.14680 5   SER A C   
4   O O   . SER A 1   ? 0.39577 0.46415 0.48942 -0.05365 -0.07314 -0.15806 5   SER A O   
5   C CB  . SER A 1   ? 0.36953 0.48399 0.52549 -0.08519 -0.07557 -0.17328 5   SER A CB  
6   O OG  . SER A 1   ? 0.45234 0.57569 0.63975 -0.10327 -0.06767 -0.18009 5   SER A OG  
7   N N   . PHE A 2   ? 0.36271 0.44999 0.46474 -0.04427 -0.07229 -0.12802 6   PHE A N   
8   C CA  . PHE A 2   ? 0.38064 0.46984 0.46358 -0.02739 -0.07614 -0.11885 6   PHE A CA  
9   C C   . PHE A 2   ? 0.39088 0.44730 0.45863 -0.02200 -0.06711 -0.11775 6   PHE A C   
10  O O   . PHE A 2   ? 0.41054 0.46349 0.46518 -0.01294 -0.06791 -0.12386 6   PHE A O   
11  C CB  . PHE A 2   ? 0.33907 0.43901 0.41969 -0.01952 -0.07680 -0.09878 6   PHE A CB  
12  C CG  . PHE A 2   ? 0.35052 0.45925 0.41716 -0.00470 -0.07981 -0.09092 6   PHE A CG  
13  C CD1 . PHE A 2   ? 0.36621 0.49650 0.42726 0.00183  -0.08728 -0.09486 6   PHE A CD1 
14  C CD2 . PHE A 2   ? 0.34195 0.43738 0.40133 0.00334  -0.07443 -0.08055 6   PHE A CD2 
15  C CE1 . PHE A 2   ? 0.39354 0.52865 0.44036 0.01432  -0.08605 -0.08805 6   PHE A CE1 
16  C CE2 . PHE A 2   ? 0.34664 0.45370 0.39882 0.01591  -0.07448 -0.07439 6   PHE A CE2 
17  C CZ  . PHE A 2   ? 0.37337 0.49867 0.41859 0.02013  -0.07887 -0.07857 6   PHE A CZ  
18  N N   . LYS A 3   ? 0.39463 0.42415 0.46103 -0.02550 -0.05731 -0.10887 7   LYS A N   
19  C CA  . LYS A 3   ? 0.41435 0.40998 0.46565 -0.01707 -0.04818 -0.10548 7   LYS A CA  
20  C C   . LYS A 3   ? 0.44459 0.41764 0.48932 -0.02360 -0.04245 -0.12575 7   LYS A C   
21  O O   . LYS A 3   ? 0.47084 0.42350 0.50018 -0.01160 -0.03678 -0.12716 7   LYS A O   
22  C CB  . LYS A 3   ? 0.43009 0.39729 0.47641 -0.01997 -0.03951 -0.09258 7   LYS A CB  
23  C CG  . LYS A 3   ? 0.40228 0.38537 0.44751 -0.01186 -0.04581 -0.07252 7   LYS A CG  
24  C CD  . LYS A 3   ? 0.42005 0.37023 0.45173 -0.01174 -0.03888 -0.05953 7   LYS A CD  
25  C CE  . LYS A 3   ? 0.41653 0.38023 0.44270 -0.00037 -0.04784 -0.04005 7   LYS A CE  
26  N NZ  . LYS A 3   ? 0.49813 0.42797 0.50521 -0.00156 -0.04322 -0.02764 7   LYS A NZ  
27  N N   . LYS A 4   ? 0.43791 0.41395 0.49496 -0.04309 -0.04288 -0.14238 8   LYS A N   
28  C CA  . LYS A 4   ? 0.45024 0.40337 0.50014 -0.05371 -0.03800 -0.16439 8   LYS A CA  
29  C C   . LYS A 4   ? 0.45435 0.42544 0.49351 -0.04627 -0.04874 -0.17663 8   LYS A C   
30  O O   . LYS A 4   ? 0.49350 0.43560 0.51359 -0.04684 -0.04254 -0.19094 8   LYS A O   
31  C CB  . LYS A 4   ? 0.45717 0.41528 0.52868 -0.07942 -0.03656 -0.18063 8   LYS A CB  
32  C CG  . LYS A 4   ? 0.52154 0.44486 0.59600 -0.09124 -0.01876 -0.17436 8   LYS A CG  
33  C CD  . LYS A 4   ? 0.62428 0.55379 0.72440 -0.11955 -0.01412 -0.19418 8   LYS A CD  
34  C CE  . LYS A 4   ? 0.74099 0.63316 0.84192 -0.13207 0.00753  -0.18672 8   LYS A CE  
35  N NZ  . LYS A 4   ? 0.70736 0.63138 0.83861 -0.14279 0.00849  -0.18256 8   LYS A NZ  
36  N N   . GLU A 5   ? 0.42144 0.43497 0.46808 -0.03968 -0.06331 -0.17204 9   GLU A N   
37  C CA  . GLU A 5   ? 0.42955 0.45947 0.46098 -0.03233 -0.07392 -0.18275 9   GLU A CA  
38  C C   . GLU A 5   ? 0.44305 0.46361 0.45282 -0.01039 -0.06782 -0.17116 9   GLU A C   
39  O O   . GLU A 5   ? 0.45423 0.47490 0.44292 -0.00408 -0.07113 -0.18190 9   GLU A O   
40  C CB  . GLU A 5   ? 0.41350 0.48955 0.45909 -0.03339 -0.09118 -0.18247 9   GLU A CB  
41  C CG  . GLU A 5   ? 0.42422 0.51796 0.49629 -0.05480 -0.09878 -0.19886 9   GLU A CG  
42  C CD  . GLU A 5   ? 0.47168 0.61358 0.56172 -0.05276 -0.11624 -0.19797 9   GLU A CD  
43  O OE1 . GLU A 5   ? 0.46228 0.61830 0.53836 -0.03513 -0.12185 -0.18469 9   GLU A OE1 
44  O OE2 . GLU A 5   ? 0.48257 0.64668 0.60144 -0.06855 -0.12260 -0.21035 9   GLU A OE2 
45  N N   . HIS A 6   ? 0.43327 0.44520 0.44707 0.00087  -0.05863 -0.15083 10  HIS A N   
46  C CA  . HIS A 6   ? 0.46623 0.47694 0.46906 0.02153  -0.05198 -0.13854 10  HIS A CA  
47  C C   . HIS A 6   ? 0.48692 0.46627 0.48882 0.03044  -0.03846 -0.12856 10  HIS A C   
48  O O   . HIS A 6   ? 0.47588 0.45300 0.48980 0.02757  -0.03831 -0.11516 10  HIS A O   
49  C CB  . HIS A 6   ? 0.46831 0.51404 0.48211 0.02870  -0.05850 -0.12039 10  HIS A CB  
50  C CG  . HIS A 6   ? 0.46447 0.53777 0.47658 0.02371  -0.07086 -0.12646 10  HIS A CG  
51  N ND1 . HIS A 6   ? 0.43628 0.52750 0.46418 0.01257  -0.07972 -0.12472 10  HIS A ND1 
52  C CD2 . HIS A 6   ? 0.49868 0.58203 0.49242 0.03026  -0.07517 -0.13385 10  HIS A CD2 
53  C CE1 . HIS A 6   ? 0.43114 0.54443 0.45290 0.01406  -0.09012 -0.12993 10  HIS A CE1 
54  N NE2 . HIS A 6   ? 0.48534 0.59350 0.48423 0.02465  -0.08816 -0.13484 10  HIS A NE2 
55  N N   . PRO A 7   ? 0.51974 0.47345 0.50526 0.04353  -0.02664 -0.13307 11  PRO A N   
56  C CA  . PRO A 7   ? 0.53495 0.45798 0.51915 0.05660  -0.01369 -0.12153 11  PRO A CA  
57  C C   . PRO A 7   ? 0.49810 0.44723 0.50109 0.06982  -0.01753 -0.09642 11  PRO A C   
58  O O   . PRO A 7   ? 0.47287 0.45951 0.48682 0.07472  -0.02405 -0.08838 11  PRO A O   
59  C CB  . PRO A 7   ? 0.58368 0.48180 0.54750 0.07238  0.00033  -0.13044 11  PRO A CB  
60  C CG  . PRO A 7   ? 0.62267 0.53043 0.57060 0.06247  -0.00574 -0.15091 11  PRO A CG  
61  C CD  . PRO A 7   ? 0.55484 0.50722 0.52001 0.05045  -0.02397 -0.14643 11  PRO A CD  
62  N N   . LEU A 8   ? 0.49755 0.42365 0.50162 0.07518  -0.01313 -0.08423 12  LEU A N   
63  C CA  . LEU A 8   ? 0.48254 0.43216 0.50219 0.08681  -0.01962 -0.06136 12  LEU A CA  
64  C C   . LEU A 8   ? 0.48330 0.46137 0.51539 0.10757  -0.01723 -0.05265 12  LEU A C   
65  O O   . LEU A 8   ? 0.45563 0.47212 0.50694 0.11061  -0.02640 -0.03837 12  LEU A O   
66  C CB  . LEU A 8   ? 0.51664 0.42908 0.52721 0.09441  -0.01414 -0.05019 12  LEU A CB  
67  C CG  . LEU A 8   ? 0.47802 0.40937 0.50018 0.11076  -0.02213 -0.02641 12  LEU A CG  
68  C CD1 . LEU A 8   ? 0.49667 0.46120 0.52938 0.09525  -0.03743 -0.01936 12  LEU A CD1 
69  C CD2 . LEU A 8   ? 0.53125 0.41360 0.53405 0.12062  -0.01470 -0.01722 12  LEU A CD2 
70  N N   . GLU A 9   ? 0.48842 0.44658 0.50982 0.12114  -0.00323 -0.06156 13  GLU A N   
71  C CA  . GLU A 9   ? 0.50979 0.49434 0.54411 0.14120  0.00366  -0.05493 13  GLU A CA  
72  C C   . GLU A 9   ? 0.47557 0.50236 0.51916 0.13149  -0.00369 -0.05651 13  GLU A C   
73  O O   . GLU A 9   ? 0.44903 0.51475 0.51603 0.13859  -0.00620 -0.04281 13  GLU A O   
74  C CB  . GLU A 9   ? 0.52981 0.47835 0.54320 0.15458  0.02284  -0.06835 13  GLU A CB  
75  C CG  . GLU A 9   ? 0.58949 0.56217 0.61803 0.17827  0.03465  -0.06013 13  GLU A CG  
76  C CD  . GLU A 9   ? 0.65809 0.61631 0.69724 0.20540  0.04520  -0.04605 13  GLU A CD  
77  O OE1 . GLU A 9   ? 0.69602 0.60036 0.70929 0.21206  0.05854  -0.05475 13  GLU A OE1 
78  O OE2 . GLU A 9   ? 0.65987 0.65954 0.73266 0.21977  0.03974  -0.02656 13  GLU A OE2 
79  N N   . LYS A 10  ? 0.47700 0.49649 0.50236 0.11514  -0.00715 -0.07306 14  LYS A N   
80  C CA  . LYS A 10  ? 0.45688 0.50912 0.48387 0.10889  -0.01240 -0.07402 14  LYS A CA  
81  C C   . LYS A 10  ? 0.44213 0.52358 0.48639 0.09611  -0.02674 -0.06204 14  LYS A C   
82  O O   . LYS A 10  ? 0.42854 0.54029 0.48209 0.09584  -0.02815 -0.05448 14  LYS A O   
83  C CB  . LYS A 10  ? 0.51087 0.54687 0.51037 0.09811  -0.01420 -0.09495 14  LYS A CB  
84  C CG  . LYS A 10  ? 0.60438 0.61120 0.57926 0.10999  0.00121  -0.10866 14  LYS A CG  
85  C CD  . LYS A 10  ? 0.68296 0.68075 0.62688 0.09967  -0.00391 -0.12917 14  LYS A CD  
86  C CE  . LYS A 10  ? 0.75662 0.78808 0.69865 0.09893  -0.01064 -0.12324 14  LYS A CE  
87  N NZ  . LYS A 10  ? 0.75418 0.79005 0.68552 0.11572  0.00597  -0.11869 14  LYS A NZ  
88  N N   . ARG A 11  ? 0.42509 0.49432 0.47130 0.08476  -0.03515 -0.06032 15  ARG A N   
89  C CA  . ARG A 11  ? 0.40385 0.49545 0.46201 0.07322  -0.04660 -0.04931 15  ARG A CA  
90  C C   . ARG A 11  ? 0.40450 0.52214 0.48285 0.08223  -0.04817 -0.03144 15  ARG A C   
91  O O   . ARG A 11  ? 0.38396 0.52975 0.47159 0.07609  -0.05261 -0.02473 15  ARG A O   
92  C CB  . ARG A 11  ? 0.40080 0.46943 0.45436 0.06049  -0.05154 -0.05112 15  ARG A CB  
93  C CG  . ARG A 11  ? 0.40461 0.46577 0.44873 0.04617  -0.05392 -0.06809 15  ARG A CG  
94  C CD  . ARG A 11  ? 0.42811 0.46932 0.47216 0.03245  -0.05511 -0.07055 15  ARG A CD  
95  N NE  . ARG A 11  ? 0.43629 0.43969 0.47105 0.03338  -0.04578 -0.07776 15  ARG A NE  
96  C CZ  . ARG A 11  ? 0.45752 0.43577 0.48870 0.03495  -0.04138 -0.06776 15  ARG A CZ  
97  N NH1 . ARG A 11  ? 0.43940 0.42912 0.47504 0.03833  -0.04731 -0.04997 15  ARG A NH1 
98  N NH2 . ARG A 11  ? 0.48409 0.42191 0.50355 0.03160  -0.03081 -0.07631 15  ARG A NH2 
99  N N   . GLN A 12  ? 0.41693 0.52559 0.50254 0.09715  -0.04444 -0.02378 16  GLN A N   
100 C CA  . GLN A 12  ? 0.40930 0.54822 0.51879 0.10671  -0.04906 -0.00695 16  GLN A CA  
101 C C   . GLN A 12  ? 0.38854 0.56401 0.51574 0.11118  -0.04270 -0.00517 16  GLN A C   
102 O O   . GLN A 12  ? 0.38407 0.59358 0.53065 0.10477  -0.04961 0.00468  16  GLN A O   
103 C CB  . GLN A 12  ? 0.43274 0.55368 0.54523 0.12752  -0.04444 0.00001  16  GLN A CB  
104 C CG  . GLN A 12  ? 0.49628 0.63905 0.62716 0.13508  -0.05656 0.01814  16  GLN A CG  
105 C CD  . GLN A 12  ? 0.59026 0.72047 0.72688 0.16250  -0.05012 0.02650  16  GLN A CD  
106 O OE1 . GLN A 12  ? 0.55090 0.65487 0.67807 0.17588  -0.03326 0.01792  16  GLN A OE1 
107 N NE2 . GLN A 12  ? 0.62186 0.76963 0.77201 0.17235  -0.06365 0.04340  16  GLN A NE2 
108 N N   . ALA A 13  ? 0.39825 0.56418 0.51622 0.12048  -0.02816 -0.01553 17  ALA A N   
109 C CA  . ALA A 13  ? 0.38130 0.57634 0.51317 0.12723  -0.01674 -0.01359 17  ALA A CA  
110 C C   . ALA A 13  ? 0.39369 0.60566 0.52011 0.10946  -0.02045 -0.01460 17  ALA A C   
111 O O   . ALA A 13  ? 0.37553 0.61991 0.52214 0.10775  -0.01593 -0.00668 17  ALA A O   
112 C CB  . ALA A 13  ? 0.44144 0.61271 0.55516 0.14167  0.00125  -0.02547 17  ALA A CB  
113 N N   . GLU A 14  ? 0.37699 0.56738 0.47731 0.09645  -0.02738 -0.02422 18  GLU A N   
114 C CA  . GLU A 14  ? 0.40108 0.60234 0.49237 0.08291  -0.03024 -0.02405 18  GLU A CA  
115 C C   . GLU A 14  ? 0.35726 0.57826 0.46579 0.06987  -0.04051 -0.01208 18  GLU A C   
116 O O   . GLU A 14  ? 0.35489 0.59450 0.46858 0.06244  -0.03710 -0.00666 18  GLU A O   
117 C CB  . GLU A 14  ? 0.40999 0.58799 0.47347 0.07485  -0.03686 -0.03645 18  GLU A CB  
118 C CG  . GLU A 14  ? 0.43096 0.61833 0.48535 0.06403  -0.04046 -0.03332 18  GLU A CG  
119 C CD  . GLU A 14  ? 0.56624 0.73875 0.59323 0.06282  -0.04463 -0.04545 18  GLU A CD  
120 O OE1 . GLU A 14  ? 0.60223 0.75923 0.62367 0.06143  -0.05115 -0.05669 18  GLU A OE1 
121 O OE2 . GLU A 14  ? 0.51930 0.69597 0.53044 0.06326  -0.04127 -0.04349 18  GLU A OE2 
122 N N   . ALA A 15  ? 0.34846 0.56214 0.46279 0.06642  -0.05181 -0.00796 19  ALA A N   
123 C CA  . ALA A 15  ? 0.34249 0.57171 0.46798 0.05369  -0.06241 0.00254  19  ALA A CA  
124 C C   . ALA A 15  ? 0.34547 0.61174 0.50060 0.05651  -0.06050 0.01252  19  ALA A C   
125 O O   . ALA A 15  ? 0.32598 0.61081 0.48877 0.04183  -0.06436 0.01797  19  ALA A O   
126 C CB  . ALA A 15  ? 0.32877 0.53968 0.45014 0.05245  -0.07329 0.00571  19  ALA A CB  
127 N N   . SER A 16  ? 0.35262 0.63063 0.52678 0.07487  -0.05411 0.01485  20  SER A N   
128 C CA  . SER A 16  ? 0.32351 0.64464 0.53454 0.07864  -0.05218 0.02433  20  SER A CA  
129 C C   . SER A 16  ? 0.30893 0.64821 0.52483 0.06961  -0.03809 0.02250  20  SER A C   
130 O O   . SER A 16  ? 0.29357 0.66601 0.53420 0.05777  -0.03991 0.02900  20  SER A O   
131 C CB  . SER A 16  ? 0.37708 0.70626 0.60845 0.10429  -0.04440 0.02725  20  SER A CB  
132 O OG  . SER A 16  ? 0.53124 0.83222 0.74954 0.11411  -0.05381 0.02865  20  SER A OG  
133 N N   . ARG A 17  ? 0.31907 0.63516 0.50906 0.07408  -0.02389 0.01339  21  ARG A N   
134 C CA  . ARG A 17  ? 0.31150 0.63636 0.49719 0.06771  -0.00780 0.01249  21  ARG A CA  
135 C C   . ARG A 17  ? 0.31045 0.63377 0.48516 0.04522  -0.01425 0.01519  21  ARG A C   
136 O O   . ARG A 17  ? 0.28355 0.62791 0.47258 0.03362  -0.00544 0.02000  21  ARG A O   
137 C CB  . ARG A 17  ? 0.36808 0.66103 0.51700 0.07781  0.00449  0.00181  21  ARG A CB  
138 C CG  . ARG A 17  ? 0.37664 0.67315 0.53219 0.09686  0.02371  -0.00087 21  ARG A CG  
139 C CD  . ARG A 17  ? 0.42390 0.68789 0.53576 0.10390  0.03599  -0.01204 21  ARG A CD  
140 N NE  . ARG A 17  ? 0.43639 0.66798 0.51391 0.10064  0.02107  -0.02230 21  ARG A NE  
141 C CZ  . ARG A 17  ? 0.47722 0.68687 0.54510 0.10881  0.01576  -0.03145 21  ARG A CZ  
142 N NH1 . ARG A 17  ? 0.47389 0.68455 0.55927 0.12364  0.02425  -0.03077 21  ARG A NH1 
143 N NH2 . ARG A 17  ? 0.49553 0.68120 0.53629 0.10218  0.00287  -0.04172 21  ARG A NH2 
144 N N   . ILE A 18  ? 0.30210 0.59794 0.45053 0.03867  -0.02703 0.01152  22  ILE A N   
145 C CA  . ILE A 18  ? 0.31115 0.59750 0.44354 0.02016  -0.03131 0.01353  22  ILE A CA  
146 C C   . ILE A 18  ? 0.29888 0.60870 0.45520 0.00409  -0.04022 0.02123  22  ILE A C   
147 O O   . ILE A 18  ? 0.30223 0.61455 0.45504 -0.01273 -0.03538 0.02388  22  ILE A O   
148 C CB  . ILE A 18  ? 0.33937 0.59448 0.44419 0.01966  -0.04190 0.00770  22  ILE A CB  
149 C CG1 . ILE A 18  ? 0.35740 0.59409 0.43772 0.03144  -0.03482 -0.00097 22  ILE A CG1 
150 C CG2 . ILE A 18  ? 0.33871 0.58213 0.42868 0.00298  -0.04605 0.01069  22  ILE A CG2 
151 C CD1 . ILE A 18  ? 0.37597 0.60754 0.43569 0.02881  -0.02215 0.00076  22  ILE A CD1 
152 N N   . ARG A 19  ? 0.29134 0.61598 0.46889 0.00845  -0.05387 0.02479  23  ARG A N   
153 C CA  . ARG A 19  ? 0.31594 0.66405 0.51276 -0.00752 -0.06641 0.03127  23  ARG A CA  
154 C C   . ARG A 19  ? 0.28782 0.67830 0.52108 -0.01323 -0.05742 0.03507  23  ARG A C   
155 O O   . ARG A 19  ? 0.29595 0.70664 0.54304 -0.03363 -0.06417 0.03793  23  ARG A O   
156 C CB  . ARG A 19  ? 0.32542 0.67740 0.53139 0.00142  -0.08462 0.03549  23  ARG A CB  
157 C CG  . ARG A 19  ? 0.35336 0.66314 0.52440 0.00086  -0.09237 0.03220  23  ARG A CG  
158 C CD  . ARG A 19  ? 0.35636 0.64902 0.50428 -0.02175 -0.09640 0.03150  23  ARG A CD  
159 N NE  . ARG A 19  ? 0.43343 0.74323 0.59064 -0.03376 -0.11285 0.03761  23  ARG A NE  
160 C CZ  . ARG A 19  ? 0.43580 0.74346 0.58236 -0.05650 -0.11691 0.03766  23  ARG A CZ  
161 N NH1 . ARG A 19  ? 0.41039 0.69789 0.53736 -0.06854 -0.10374 0.03344  23  ARG A NH1 
162 N NH2 . ARG A 19  ? 0.46977 0.79508 0.62383 -0.06693 -0.13483 0.04207  23  ARG A NH2 
163 N N   . ASN A 20  ? 0.26843 0.67339 0.51881 0.00365  -0.04181 0.03443  24  ASN A N   
164 C CA  . ASN A 20  ? 0.26991 0.71638 0.55842 -0.00064 -0.02795 0.03764  24  ASN A CA  
165 C C   . ASN A 20  ? 0.27212 0.70480 0.54157 -0.01861 -0.00963 0.03539  24  ASN A C   
166 O O   . ASN A 20  ? 0.24185 0.70064 0.53444 -0.03872 -0.00495 0.03773  24  ASN A O   
167 C CB  . ASN A 20  ? 0.27866 0.73677 0.58492 0.02533  -0.01260 0.03731  24  ASN A CB  
168 C CG  . ASN A 20  ? 0.31016 0.81004 0.66288 0.03965  -0.02307 0.04393  24  ASN A CG  
169 O OD1 . ASN A 20  ? 0.35540 0.87685 0.72575 0.03096  -0.04551 0.04906  24  ASN A OD1 
170 N ND2 . ASN A 20  ? 0.32769 0.83860 0.69880 0.06317  -0.00665 0.04424  24  ASN A ND2 
171 N N   . LYS A 21  ? 0.25189 0.64223 0.47760 -0.01206 0.00026  0.03083  25  LYS A N   
172 C CA  . LYS A 21  ? 0.26345 0.63550 0.46541 -0.02191 0.02106  0.03035  25  LYS A CA  
173 C C   . LYS A 21  ? 0.27713 0.62349 0.45175 -0.04347 0.01559  0.03098  25  LYS A C   
174 O O   . LYS A 21  ? 0.28584 0.62514 0.45187 -0.05898 0.03231  0.03291  25  LYS A O   
175 C CB  . LYS A 21  ? 0.31492 0.65376 0.47903 -0.00160 0.03243  0.02556  25  LYS A CB  
176 C CG  . LYS A 21  ? 0.38208 0.69531 0.51157 -0.00449 0.05529  0.02621  25  LYS A CG  
177 C CD  . LYS A 21  ? 0.40192 0.73938 0.55703 -0.01609 0.07828  0.03077  25  LYS A CD  
178 C CE  . LYS A 21  ? 0.53790 0.84759 0.65608 -0.00868 0.10670  0.03139  25  LYS A CE  
179 N NZ  . LYS A 21  ? 0.47183 0.73300 0.53201 -0.00845 0.10529  0.03180  25  LYS A NZ  
180 N N   . TYR A 22  ? 0.28379 0.60986 0.44004 -0.04378 -0.00377 0.02930  26  TYR A N   
181 C CA  . TYR A 22  ? 0.30123 0.59608 0.42635 -0.06030 -0.00678 0.02948  26  TYR A CA  
182 C C   . TYR A 22  ? 0.27794 0.58224 0.41519 -0.07398 -0.02788 0.03013  26  TYR A C   
183 O O   . TYR A 22  ? 0.32705 0.60876 0.44457 -0.06994 -0.04076 0.02851  26  TYR A O   
184 C CB  . TYR A 22  ? 0.29243 0.54813 0.37678 -0.04595 -0.00635 0.02647  26  TYR A CB  
185 C CG  . TYR A 22  ? 0.28952 0.53485 0.35583 -0.03169 0.01159  0.02579  26  TYR A CG  
186 C CD1 . TYR A 22  ? 0.32126 0.55252 0.36958 -0.03998 0.03146  0.02974  26  TYR A CD1 
187 C CD2 . TYR A 22  ? 0.31835 0.56368 0.38098 -0.01057 0.00988  0.02095  26  TYR A CD2 
188 C CE1 . TYR A 22  ? 0.34745 0.56541 0.37282 -0.02599 0.04901  0.03015  26  TYR A CE1 
189 C CE2 . TYR A 22  ? 0.35369 0.58711 0.39399 0.00207  0.02544  0.01969  26  TYR A CE2 
190 C CZ  . TYR A 22  ? 0.34965 0.56901 0.36959 -0.00454 0.04491  0.02488  26  TYR A CZ  
191 O OH  . TYR A 22  ? 0.37575 0.58013 0.36803 0.00931  0.06152  0.02446  26  TYR A OH  
192 N N   . PRO A 23  ? 0.28531 0.62472 0.45568 -0.09024 -0.03226 0.03225  27  PRO A N   
193 C CA  . PRO A 23  ? 0.30337 0.65470 0.48336 -0.10107 -0.05591 0.03301  27  PRO A CA  
194 C C   . PRO A 23  ? 0.33942 0.65352 0.48268 -0.12027 -0.06023 0.03102  27  PRO A C   
195 O O   . PRO A 23  ? 0.37118 0.68428 0.51012 -0.12779 -0.07939 0.03110  27  PRO A O   
196 C CB  . PRO A 23  ? 0.26573 0.66926 0.49262 -0.11536 -0.05859 0.03488  27  PRO A CB  
197 C CG  . PRO A 23  ? 0.26907 0.67092 0.49714 -0.12618 -0.03121 0.03393  27  PRO A CG  
198 C CD  . PRO A 23  ? 0.26580 0.63687 0.46647 -0.10040 -0.01583 0.03373  27  PRO A CD  
199 N N   . ASP A 24  ? 0.35462 0.63576 0.46858 -0.12824 -0.04208 0.02981  28  ASP A N   
200 C CA  . ASP A 24  ? 0.41840 0.65933 0.49515 -0.14434 -0.04347 0.02807  28  ASP A CA  
201 C C   . ASP A 24  ? 0.41088 0.61443 0.45543 -0.12617 -0.04417 0.02753  28  ASP A C   
202 O O   . ASP A 24  ? 0.42419 0.59073 0.43631 -0.13490 -0.04148 0.02656  28  ASP A O   
203 C CB  . ASP A 24  ? 0.47813 0.69897 0.53853 -0.16460 -0.02259 0.02770  28  ASP A CB  
204 C CG  . ASP A 24  ? 0.55456 0.81544 0.65145 -0.19017 -0.02206 0.02629  28  ASP A CG  
205 O OD1 . ASP A 24  ? 0.47033 0.77281 0.60093 -0.19645 -0.04292 0.02539  28  ASP A OD1 
206 O OD2 . ASP A 24  ? 0.59945 0.85089 0.69203 -0.20450 0.00001  0.02628  28  ASP A OD2 
207 N N   . ARG A 25  ? 0.35963 0.57257 0.41385 -0.10192 -0.04677 0.02739  29  ARG A N   
208 C CA  . ARG A 25  ? 0.35140 0.53757 0.38370 -0.08578 -0.04806 0.02541  29  ARG A CA  
209 C C   . ARG A 25  ? 0.35219 0.54980 0.39886 -0.07391 -0.06348 0.02401  29  ARG A C   
210 O O   . ARG A 25  ? 0.34043 0.56796 0.41442 -0.07061 -0.07126 0.02560  29  ARG A O   
211 C CB  . ARG A 25  ? 0.34662 0.52541 0.36888 -0.06851 -0.03444 0.02474  29  ARG A CB  
212 C CG  . ARG A 25  ? 0.36494 0.51447 0.35811 -0.07665 -0.01887 0.02747  29  ARG A CG  
213 C CD  . ARG A 25  ? 0.37053 0.51022 0.34704 -0.05983 -0.00532 0.02880  29  ARG A CD  
214 N NE  . ARG A 25  ? 0.40127 0.50812 0.34669 -0.06689 0.01085  0.03344  29  ARG A NE  
215 C CZ  . ARG A 25  ? 0.40396 0.47857 0.32071 -0.06003 0.01331  0.03514  29  ARG A CZ  
216 N NH1 . ARG A 25  ? 0.37693 0.45152 0.29525 -0.04717 0.00090  0.03184  29  ARG A NH1 
217 N NH2 . ARG A 25  ? 0.45508 0.49609 0.34188 -0.06579 0.03048  0.04047  29  ARG A NH2 
218 N N   . ILE A 26  ? 0.31193 0.48466 0.34059 -0.06689 -0.06602 0.02143  30  ILE A N   
219 C CA  . ILE A 26  ? 0.30629 0.47830 0.34092 -0.05851 -0.07733 0.01992  30  ILE A CA  
220 C C   . ILE A 26  ? 0.31040 0.47692 0.34463 -0.04111 -0.07311 0.01438  30  ILE A C   
221 O O   . ILE A 26  ? 0.29588 0.44639 0.31465 -0.03861 -0.06632 0.01193  30  ILE A O   
222 C CB  . ILE A 26  ? 0.33493 0.48021 0.34809 -0.06977 -0.08226 0.02057  30  ILE A CB  
223 C CG1 . ILE A 26  ? 0.33660 0.48367 0.34321 -0.09040 -0.08767 0.02399  30  ILE A CG1 
224 C CG2 . ILE A 26  ? 0.32198 0.45920 0.33624 -0.06119 -0.08965 0.01946  30  ILE A CG2 
225 C CD1 . ILE A 26  ? 0.39139 0.56751 0.41896 -0.09245 -0.10418 0.02773  30  ILE A CD1 
226 N N   . PRO A 27  ? 0.26075 0.44013 0.31114 -0.02853 -0.07703 0.01191  31  PRO A N   
227 C CA  . PRO A 27  ? 0.29463 0.46797 0.34357 -0.01506 -0.07461 0.00414  31  PRO A CA  
228 C C   . PRO A 27  ? 0.28179 0.43537 0.32445 -0.01687 -0.07861 0.00051  31  PRO A C   
229 O O   . PRO A 27  ? 0.25942 0.40790 0.30637 -0.01714 -0.08399 0.00231  31  PRO A O   
230 C CB  . PRO A 27  ? 0.26203 0.45191 0.32851 -0.00349 -0.07520 0.00320  31  PRO A CB  
231 C CG  . PRO A 27  ? 0.28536 0.48628 0.36466 -0.00885 -0.08296 0.01121  31  PRO A CG  
232 C CD  . PRO A 27  ? 0.30571 0.50784 0.37779 -0.02572 -0.08356 0.01618  31  PRO A CD  
233 N N   . VAL A 28  ? 0.25248 0.39574 0.28614 -0.01614 -0.07505 -0.00449 32  VAL A N   
234 C CA  . VAL A 28  ? 0.26218 0.38855 0.29331 -0.02009 -0.07535 -0.00801 32  VAL A CA  
235 C C   . VAL A 28  ? 0.26073 0.39143 0.29969 -0.01206 -0.07538 -0.01879 32  VAL A C   
236 O O   . VAL A 28  ? 0.26874 0.40961 0.30522 -0.00507 -0.07494 -0.02200 32  VAL A O   
237 C CB  . VAL A 28  ? 0.28333 0.39495 0.30026 -0.02854 -0.07024 -0.00404 32  VAL A CB  
238 C CG1 . VAL A 28  ? 0.28503 0.37995 0.30176 -0.03226 -0.06700 -0.00768 32  VAL A CG1 
239 C CG2 . VAL A 28  ? 0.27919 0.38522 0.28493 -0.03998 -0.07153 0.00446  32  VAL A CG2 
240 N N   . ILE A 29  ? 0.25298 0.37406 0.29912 -0.01390 -0.07596 -0.02468 33  ILE A N   
241 C CA  . ILE A 29  ? 0.24517 0.36967 0.30121 -0.01192 -0.07620 -0.03722 33  ILE A CA  
242 C C   . ILE A 29  ? 0.23531 0.35174 0.29527 -0.01969 -0.07123 -0.03805 33  ILE A C   
243 O O   . ILE A 29  ? 0.23896 0.33601 0.29375 -0.02748 -0.06637 -0.03339 33  ILE A O   
244 C CB  . ILE A 29  ? 0.27623 0.39116 0.33774 -0.01134 -0.07624 -0.04447 33  ILE A CB  
245 C CG1 . ILE A 29  ? 0.29688 0.41723 0.35518 -0.00162 -0.07797 -0.04196 33  ILE A CG1 
246 C CG2 . ILE A 29  ? 0.27002 0.38855 0.34272 -0.01396 -0.07687 -0.06000 33  ILE A CG2 
247 C CD1 . ILE A 29  ? 0.31682 0.45519 0.37145 0.00666  -0.07983 -0.04566 33  ILE A CD1 
248 N N   . VAL A 30  ? 0.22285 0.35408 0.29212 -0.01636 -0.07204 -0.04420 34  VAL A N   
249 C CA  . VAL A 30  ? 0.22427 0.35223 0.30222 -0.02134 -0.06493 -0.04446 34  VAL A CA  
250 C C   . VAL A 30  ? 0.25163 0.39571 0.35464 -0.02333 -0.06709 -0.05867 34  VAL A C   
251 O O   . VAL A 30  ? 0.22989 0.39519 0.33896 -0.01616 -0.07706 -0.06660 34  VAL A O   
252 C CB  . VAL A 30  ? 0.22470 0.35861 0.29441 -0.01363 -0.06309 -0.03718 34  VAL A CB  
253 C CG1 . VAL A 30  ? 0.26838 0.40211 0.35104 -0.01506 -0.05414 -0.03811 34  VAL A CG1 
254 C CG2 . VAL A 30  ? 0.25135 0.36688 0.29662 -0.01685 -0.05965 -0.02508 34  VAL A CG2 
255 N N   . GLU A 31  ? 0.23128 0.36407 0.34703 -0.03443 -0.05765 -0.06273 35  GLU A N   
256 C CA  . GLU A 31  ? 0.24475 0.39454 0.38959 -0.04077 -0.05778 -0.07764 35  GLU A CA  
257 C C   . GLU A 31  ? 0.23824 0.38576 0.40080 -0.04846 -0.04339 -0.07727 35  GLU A C   
258 O O   . GLU A 31  ? 0.24587 0.36565 0.39116 -0.05225 -0.03091 -0.06679 35  GLU A O   
259 C CB  . GLU A 31  ? 0.27295 0.40661 0.41762 -0.04998 -0.05692 -0.08688 35  GLU A CB  
260 C CG  . GLU A 31  ? 0.27886 0.41215 0.40578 -0.04090 -0.06756 -0.08689 35  GLU A CG  
261 C CD  . GLU A 31  ? 0.33276 0.44356 0.45373 -0.04624 -0.06453 -0.09356 35  GLU A CD  
262 O OE1 . GLU A 31  ? 0.34310 0.42540 0.44755 -0.04654 -0.05733 -0.08285 35  GLU A OE1 
263 O OE2 . GLU A 31  ? 0.31731 0.43759 0.44647 -0.04869 -0.07027 -0.10894 35  GLU A OE2 
264 N N   . ARG A 32  ? 0.23684 0.41388 0.43416 -0.05161 -0.04476 -0.08961 36  ARG A N   
265 C CA  . ARG A 32  ? 0.24159 0.42121 0.46216 -0.05819 -0.02827 -0.08971 36  ARG A CA  
266 C C   . ARG A 32  ? 0.25940 0.40600 0.47696 -0.07583 -0.01199 -0.09269 36  ARG A C   
267 O O   . ARG A 32  ? 0.27082 0.41036 0.48934 -0.08454 -0.01592 -0.10243 36  ARG A O   
268 C CB  . ARG A 32  ? 0.25190 0.48092 0.51883 -0.05670 -0.03535 -0.10274 36  ARG A CB  
269 C CG  . ARG A 32  ? 0.24114 0.47856 0.54024 -0.06326 -0.01597 -0.10377 36  ARG A CG  
270 C CD  . ARG A 32  ? 0.27379 0.57114 0.62731 -0.06036 -0.02604 -0.11688 36  ARG A CD  
271 N NE  . ARG A 32  ? 0.28658 0.60105 0.66147 -0.07659 -0.03689 -0.13599 36  ARG A NE  
272 C CZ  . ARG A 32  ? 0.30219 0.67036 0.72190 -0.07829 -0.05168 -0.15112 36  ARG A CZ  
273 N NH1 . ARG A 32  ? 0.26127 0.67300 0.71053 -0.06173 -0.05794 -0.14760 36  ARG A NH1 
274 N NH2 . ARG A 32  ? 0.28441 0.65703 0.71266 -0.09533 -0.06006 -0.16801 36  ARG A NH2 
275 N N   . ALA A 33  ? 0.27160 0.39374 0.48218 -0.08081 0.00809  -0.08460 37  ALA A N   
276 C CA  . ALA A 33  ? 0.30706 0.39044 0.50710 -0.09641 0.02648  -0.08503 37  ALA A CA  
277 C C   . ALA A 33  ? 0.37519 0.47858 0.61823 -0.11150 0.03423  -0.10207 37  ALA A C   
278 O O   . ALA A 33  ? 0.33748 0.48769 0.62333 -0.11014 0.02929  -0.11165 37  ALA A O   
279 C CB  . ALA A 33  ? 0.32658 0.37828 0.50550 -0.09787 0.04748  -0.07302 37  ALA A CB  
280 N N   . GLU A 34  ? 0.43347 0.50076 0.66504 -0.12616 0.04670  -0.10572 38  GLU A N   
281 C CA  A GLU A 34  ? 0.46405 0.54318 0.73418 -0.14541 0.05747  -0.12318 38  GLU A CA  
282 C CA  B GLU A 34  ? 0.46374 0.54412 0.73442 -0.14512 0.05686  -0.12332 38  GLU A CA  
283 C C   . GLU A 34  ? 0.47889 0.57641 0.78591 -0.15331 0.07875  -0.12551 38  GLU A C   
284 O O   . GLU A 34  ? 0.49061 0.55762 0.77523 -0.15105 0.09796  -0.11247 38  GLU A O   
285 C CB  A GLU A 34  ? 0.52207 0.54625 0.76349 -0.15845 0.07170  -0.12355 38  GLU A CB  
286 C CB  B GLU A 34  ? 0.52063 0.54777 0.76333 -0.15801 0.06951  -0.12451 38  GLU A CB  
287 C CG  A GLU A 34  ? 0.52377 0.54459 0.75648 -0.15839 0.05503  -0.13301 38  GLU A CG  
288 C CG  B GLU A 34  ? 0.52483 0.53250 0.73093 -0.14636 0.05080  -0.12006 38  GLU A CG  
289 C CD  A GLU A 34  ? 0.52184 0.56066 0.79342 -0.17938 0.05856  -0.15618 38  GLU A CD  
290 C CD  B GLU A 34  ? 0.50250 0.55130 0.73113 -0.14353 0.02778  -0.13531 38  GLU A CD  
291 O OE1 A GLU A 34  ? 0.57839 0.59904 0.86567 -0.19916 0.08338  -0.16198 38  GLU A OE1 
292 O OE1 B GLU A 34  ? 0.48601 0.57098 0.75695 -0.15590 0.02617  -0.15275 38  GLU A OE1 
293 O OE2 A GLU A 34  ? 0.50637 0.57619 0.79124 -0.17751 0.03723  -0.16936 38  GLU A OE2 
294 O OE2 B GLU A 34  ? 0.49945 0.54495 0.70299 -0.12920 0.01135  -0.13016 38  GLU A OE2 
295 N N   . LYS A 35  ? 0.45901 0.60794 0.82305 -0.16247 0.07515  -0.14270 39  LYS A N   
296 C CA  . LYS A 35  ? 0.49752 0.67859 0.91309 -0.17094 0.09444  -0.14861 39  LYS A CA  
297 C C   . LYS A 35  ? 0.48739 0.69805 0.91406 -0.14949 0.09276  -0.13735 39  LYS A C   
298 O O   . LYS A 35  ? 0.53550 0.77139 1.00381 -0.15224 0.11157  -0.13955 39  LYS A O   
299 C CB  . LYS A 35  ? 0.58808 0.71886 0.99210 -0.18943 0.13109  -0.14575 39  LYS A CB  
300 C CG  . LYS A 35  ? 0.66730 0.76733 1.06469 -0.21131 0.13764  -0.15775 39  LYS A CG  
301 C CD  . LYS A 35  ? 0.78263 0.80612 1.12917 -0.21883 0.16712  -0.14538 39  LYS A CD  
302 C CE  . LYS A 35  ? 0.77869 0.76304 1.06393 -0.19872 0.16009  -0.12404 39  LYS A CE  
303 N NZ  . LYS A 35  ? 0.94889 0.85661 1.17624 -0.20392 0.18193  -0.11154 39  LYS A NZ  
304 N N   . SER A 36  ? 0.42760 0.63635 0.82044 -0.12806 0.07256  -0.12575 40  SER A N   
305 C CA  . SER A 36  ? 0.42216 0.64865 0.81875 -0.10773 0.07439  -0.11433 40  SER A CA  
306 C C   . SER A 36  ? 0.41338 0.71162 0.86733 -0.09683 0.05819  -0.12341 40  SER A C   
307 O O   . SER A 36  ? 0.36839 0.69919 0.83316 -0.09416 0.03060  -0.13292 40  SER A O   
308 C CB  . SER A 36  ? 0.37714 0.57544 0.71795 -0.09048 0.06002  -0.09928 40  SER A CB  
309 O OG  . SER A 36  ? 0.37560 0.59188 0.72201 -0.07109 0.06133  -0.09029 40  SER A OG  
310 N N   . ASP A 37  ? 0.44745 0.76849 0.93423 -0.08810 0.07521  -0.11937 41  ASP A N   
311 C CA  . ASP A 37  ? 0.49155 0.88205 1.03209 -0.07104 0.06039  -0.12374 41  ASP A CA  
312 C C   . ASP A 37  ? 0.40562 0.79187 0.91311 -0.04093 0.04828  -0.10760 41  ASP A C   
313 O O   . ASP A 37  ? 0.43009 0.82846 0.95342 -0.02326 0.06171  -0.09875 41  ASP A O   
314 C CB  . ASP A 37  ? 0.49966 0.92100 1.09954 -0.07459 0.08770  -0.12722 41  ASP A CB  
315 C CG  . ASP A 37  ? 0.72345 1.16950 1.36371 -0.09873 0.08831  -0.14339 41  ASP A CG  
316 O OD1 . ASP A 37  ? 0.79711 1.27592 1.44738 -0.10071 0.05779  -0.15292 41  ASP A OD1 
317 O OD2 . ASP A 37  ? 0.80797 1.23060 1.45740 -0.11470 0.12007  -0.14415 41  ASP A OD2 
318 N N   . ILE A 38  ? 0.34529 0.71194 0.80644 -0.03453 0.02568  -0.10340 42  ILE A N   
319 C CA  . ILE A 38  ? 0.31342 0.69174 0.75667 -0.00640 0.01015  -0.09195 42  ILE A CA  
320 C C   . ILE A 38  ? 0.27879 0.67457 0.70822 -0.00365 -0.02259 -0.09863 42  ILE A C   
321 O O   . ILE A 38  ? 0.27841 0.67345 0.71131 -0.02365 -0.03055 -0.11200 42  ILE A O   
322 C CB  . ILE A 38  ? 0.35218 0.67258 0.73835 0.00360  0.02666  -0.07341 42  ILE A CB  
323 C CG1 . ILE A 38  ? 0.31731 0.58351 0.64876 -0.01137 0.02656  -0.06994 42  ILE A CG1 
324 C CG2 . ILE A 38  ? 0.37503 0.68112 0.77335 0.00796  0.05962  -0.06611 42  ILE A CG2 
325 C CD1 . ILE A 38  ? 0.29491 0.51256 0.57296 -0.00224 0.03737  -0.05364 42  ILE A CD1 
326 N N   . PRO A 39  ? 0.26388 0.67286 0.67559 0.02093  -0.04054 -0.09022 43  PRO A N   
327 C CA  . PRO A 39  ? 0.24418 0.67619 0.64758 0.02450  -0.07100 -0.09850 43  PRO A CA  
328 C C   . PRO A 39  ? 0.28827 0.67627 0.64399 0.01146  -0.07424 -0.09893 43  PRO A C   
329 O O   . PRO A 39  ? 0.29388 0.63431 0.60916 0.01058  -0.06032 -0.08641 43  PRO A O   
330 C CB  . PRO A 39  ? 0.25916 0.70309 0.64513 0.05602  -0.08282 -0.08515 43  PRO A CB  
331 C CG  . PRO A 39  ? 0.23659 0.69786 0.65623 0.06919  -0.06577 -0.07794 43  PRO A CG  
332 C CD  . PRO A 39  ? 0.25965 0.67683 0.67253 0.04836  -0.03441 -0.07596 43  PRO A CD  
333 N N   . ASP A 40  ? 0.28728 0.69317 0.64909 0.00144  -0.09324 -0.11424 44  ASP A N   
334 C CA  . ASP A 40  ? 0.31660 0.68695 0.63433 -0.00499 -0.09897 -0.11458 44  ASP A CA  
335 C C   . ASP A 40  ? 0.34742 0.70536 0.62298 0.01701  -0.10770 -0.10030 44  ASP A C   
336 O O   . ASP A 40  ? 0.38127 0.76186 0.66065 0.03769  -0.11504 -0.09332 44  ASP A O   
337 C CB  . ASP A 40  ? 0.31005 0.70139 0.64054 -0.01763 -0.11689 -0.13479 44  ASP A CB  
338 C CG  . ASP A 40  ? 0.34487 0.69533 0.64525 -0.03234 -0.11223 -0.13911 44  ASP A CG  
339 O OD1 . ASP A 40  ? 0.33748 0.64692 0.60574 -0.03098 -0.09881 -0.12519 44  ASP A OD1 
340 O OD2 . ASP A 40  ? 0.41889 0.77137 0.72229 -0.04481 -0.11991 -0.15389 44  ASP A OD2 
341 N N   . ILE A 41  ? 0.35228 0.67416 0.58795 0.01336  -0.10606 -0.09556 45  ILE A N   
342 C CA  . ILE A 41  ? 0.35231 0.65740 0.54741 0.03004  -0.10960 -0.08206 45  ILE A CA  
343 C C   . ILE A 41  ? 0.40780 0.72111 0.58421 0.03388  -0.12804 -0.09069 45  ILE A C   
344 O O   . ILE A 41  ? 0.39745 0.70758 0.57755 0.01961  -0.13170 -0.10382 45  ILE A O   
345 C CB  . ILE A 41  ? 0.35557 0.61613 0.52168 0.02268  -0.09217 -0.06940 45  ILE A CB  
346 C CG1 . ILE A 41  ? 0.37363 0.61671 0.50403 0.03753  -0.09008 -0.05414 45  ILE A CG1 
347 C CG2 . ILE A 41  ? 0.33453 0.57706 0.49292 0.00710  -0.09189 -0.07640 45  ILE A CG2 
348 C CD1 . ILE A 41  ? 0.32880 0.53273 0.43616 0.02837  -0.07291 -0.04214 45  ILE A CD1 
349 N N   . ASP A 42  ? 0.44373 0.76275 0.59575 0.05389  -0.13770 -0.08306 46  ASP A N   
350 C CA  . ASP A 42  ? 0.50886 0.83399 0.63813 0.05952  -0.15439 -0.09106 46  ASP A CA  
351 C C   . ASP A 42  ? 0.48247 0.77586 0.58146 0.05214  -0.14735 -0.09025 46  ASP A C   
352 O O   . ASP A 42  ? 0.48615 0.77768 0.58482 0.04156  -0.15250 -0.10419 46  ASP A O   
353 C CB  . ASP A 42  ? 0.58045 0.90932 0.68375 0.08347  -0.16192 -0.07955 46  ASP A CB  
354 C CG  . ASP A 42  ? 0.84757 1.20680 0.97391 0.08986  -0.17479 -0.08405 46  ASP A CG  
355 O OD1 . ASP A 42  ? 1.01926 1.39904 1.18450 0.07428  -0.17695 -0.09630 46  ASP A OD1 
356 O OD2 . ASP A 42  ? 0.89240 1.25498 0.99767 0.11032  -0.18266 -0.07509 46  ASP A OD2 
357 N N   . LYS A 43  ? 0.42438 0.69072 0.49836 0.05696  -0.13365 -0.07377 47  LYS A N   
358 C CA  . LYS A 43  ? 0.40494 0.64528 0.45462 0.05170  -0.12524 -0.07012 47  LYS A CA  
359 C C   . LYS A 43  ? 0.35624 0.57867 0.41974 0.03565  -0.11174 -0.06656 47  LYS A C   
360 O O   . LYS A 43  ? 0.31743 0.53498 0.39096 0.03273  -0.10336 -0.05890 47  LYS A O   
361 C CB  . LYS A 43  ? 0.41627 0.64029 0.43138 0.06463  -0.11844 -0.05483 47  LYS A CB  
362 C CG  . LYS A 43  ? 0.47330 0.70695 0.46344 0.08446  -0.12982 -0.05390 47  LYS A CG  
363 C CD  . LYS A 43  ? 0.50868 0.74591 0.48048 0.08670  -0.14042 -0.06639 47  LYS A CD  
364 C CE  . LYS A 43  ? 0.59164 0.83735 0.53359 0.10726  -0.15424 -0.06549 47  LYS A CE  
365 N NZ  . LYS A 43  ? 0.59173 0.82665 0.50169 0.10917  -0.15758 -0.07429 47  LYS A NZ  
366 N N   . LYS A 44  ? 0.32198 0.53262 0.38329 0.02680  -0.10944 -0.07204 48  LYS A N   
367 C CA  . LYS A 44  ? 0.28432 0.47688 0.35493 0.01374  -0.09913 -0.06834 48  LYS A CA  
368 C C   . LYS A 44  ? 0.28921 0.46505 0.34240 0.01391  -0.09118 -0.05540 48  LYS A C   
369 O O   . LYS A 44  ? 0.24884 0.41063 0.30555 0.00489  -0.08452 -0.04885 48  LYS A O   
370 C CB  . LYS A 44  ? 0.31048 0.49758 0.39183 0.00439  -0.10042 -0.08170 48  LYS A CB  
371 C CG  . LYS A 44  ? 0.34920 0.55326 0.45082 -0.00134 -0.10855 -0.09880 48  LYS A CG  
372 C CD  . LYS A 44  ? 0.34428 0.56064 0.47104 -0.00669 -0.10544 -0.09776 48  LYS A CD  
373 C CE  . LYS A 44  ? 0.36208 0.60139 0.51791 -0.01616 -0.11336 -0.11701 48  LYS A CE  
374 N NZ  . LYS A 44  ? 0.40563 0.67971 0.56783 -0.00424 -0.12924 -0.12130 48  LYS A NZ  
375 N N   . LYS A 45  ? 0.30984 0.48728 0.34447 0.02305  -0.09146 -0.05189 49  LYS A N   
376 C CA  . LYS A 45  ? 0.31707 0.48565 0.34295 0.02155  -0.08372 -0.04161 49  LYS A CA  
377 C C   . LYS A 45  ? 0.32510 0.48921 0.33644 0.02289  -0.07723 -0.02901 49  LYS A C   
378 O O   . LYS A 45  ? 0.33331 0.49940 0.32810 0.03291  -0.07694 -0.02739 49  LYS A O   
379 C CB  . LYS A 45  ? 0.37309 0.54433 0.39039 0.02911  -0.08323 -0.04647 49  LYS A CB  
380 C CG  . LYS A 45  ? 0.37227 0.54030 0.39872 0.02739  -0.08670 -0.05897 49  LYS A CG  
381 C CD  . LYS A 45  ? 0.52959 0.69633 0.54165 0.03684  -0.08488 -0.06609 49  LYS A CD  
382 C CE  . LYS A 45  ? 0.44279 0.60954 0.45218 0.04161  -0.07430 -0.05560 49  LYS A CE  
383 N NZ  . LYS A 45  ? 0.45250 0.61550 0.44386 0.05288  -0.06865 -0.06292 49  LYS A NZ  
384 N N   . TYR A 46  ? 0.28301 0.43762 0.29638 0.01250  -0.07176 -0.02025 50  TYR A N   
385 C CA  . TYR A 46  ? 0.30627 0.45015 0.30472 0.00949  -0.06412 -0.01005 50  TYR A CA  
386 C C   . TYR A 46  ? 0.32837 0.47104 0.32639 -0.00044 -0.05933 -0.00294 50  TYR A C   
387 O O   . TYR A 46  ? 0.32269 0.46628 0.33237 -0.00890 -0.06302 -0.00257 50  TYR A O   
388 C CB  . TYR A 46  ? 0.32354 0.45440 0.32287 0.00300  -0.06172 -0.00791 50  TYR A CB  
389 C CG  . TYR A 46  ? 0.30208 0.43957 0.30622 0.01370  -0.06474 -0.01307 50  TYR A CG  
390 C CD1 . TYR A 46  ? 0.30221 0.45316 0.32669 0.01428  -0.07236 -0.02390 50  TYR A CD1 
391 C CD2 . TYR A 46  ? 0.34756 0.47890 0.33656 0.02391  -0.05997 -0.00713 50  TYR A CD2 
392 C CE1 . TYR A 46  ? 0.29352 0.45938 0.32884 0.02342  -0.07758 -0.03006 50  TYR A CE1 
393 C CE2 . TYR A 46  ? 0.36565 0.51045 0.36343 0.03703  -0.06543 -0.01129 50  TYR A CE2 
394 C CZ  . TYR A 46  ? 0.34667 0.51227 0.37045 0.03563  -0.07531 -0.02338 50  TYR A CZ  
395 O OH  . TYR A 46  ? 0.36590 0.55287 0.40576 0.04631  -0.08303 -0.02929 50  TYR A OH  
396 N N   . LEU A 47  ? 0.30446 0.44484 0.28907 -0.00013 -0.05097 0.00315  51  LEU A N   
397 C CA  . LEU A 47  ? 0.33137 0.47674 0.32194 -0.01259 -0.04631 0.00899  51  LEU A CA  
398 C C   . LEU A 47  ? 0.34564 0.47061 0.32036 -0.02585 -0.03958 0.01521  51  LEU A C   
399 O O   . LEU A 47  ? 0.35717 0.46628 0.31100 -0.02293 -0.02936 0.01916  51  LEU A O   
400 C CB  . LEU A 47  ? 0.33843 0.49507 0.32776 -0.00577 -0.03838 0.00997  51  LEU A CB  
401 C CG  . LEU A 47  ? 0.34189 0.51818 0.35124 -0.01374 -0.03441 0.01317  51  LEU A CG  
402 C CD1 . LEU A 47  ? 0.32619 0.51797 0.36022 -0.01322 -0.04617 0.01031  51  LEU A CD1 
403 C CD2 . LEU A 47  ? 0.34491 0.52873 0.35030 -0.00423 -0.02239 0.01331  51  LEU A CD2 
404 N N   . VAL A 48  ? 0.31820 0.43809 0.29753 -0.03942 -0.04483 0.01594  52  VAL A N   
405 C CA  . VAL A 48  ? 0.34709 0.44005 0.30660 -0.05119 -0.03966 0.01884  52  VAL A CA  
406 C C   . VAL A 48  ? 0.36890 0.46060 0.32484 -0.07140 -0.03684 0.02246  52  VAL A C   
407 O O   . VAL A 48  ? 0.35976 0.47565 0.33634 -0.07757 -0.04596 0.02224  52  VAL A O   
408 C CB  . VAL A 48  ? 0.34802 0.43311 0.31054 -0.05296 -0.04716 0.01575  52  VAL A CB  
409 C CG1 . VAL A 48  ? 0.38347 0.43886 0.32382 -0.06426 -0.04084 0.01776  52  VAL A CG1 
410 C CG2 . VAL A 48  ? 0.34672 0.43747 0.31830 -0.03539 -0.04881 0.01034  52  VAL A CG2 
411 N N   . PRO A 49  ? 0.38125 0.44696 0.31335 -0.08228 -0.02464 0.02546  53  PRO A N   
412 C CA  . PRO A 49  ? 0.40395 0.46916 0.33435 -0.10673 -0.02417 0.02622  53  PRO A CA  
413 C C   . PRO A 49  ? 0.41626 0.48472 0.35042 -0.11911 -0.03945 0.02394  53  PRO A C   
414 O O   . PRO A 49  ? 0.41514 0.46111 0.33345 -0.11656 -0.04119 0.02271  53  PRO A O   
415 C CB  . PRO A 49  ? 0.44031 0.46395 0.33600 -0.11526 -0.00667 0.02845  53  PRO A CB  
416 C CG  . PRO A 49  ? 0.45021 0.46257 0.33511 -0.09107 0.00284  0.03144  53  PRO A CG  
417 C CD  . PRO A 49  ? 0.40657 0.44113 0.31167 -0.07312 -0.01068 0.02820  53  PRO A CD  
418 N N   . ALA A 50  ? 0.41927 0.51484 0.37263 -0.13360 -0.04959 0.02382  54  ALA A N   
419 C CA  . ALA A 50  ? 0.41592 0.51553 0.36910 -0.14420 -0.06685 0.02283  54  ALA A CA  
420 C C   . ALA A 50  ? 0.45689 0.51283 0.37055 -0.15987 -0.06314 0.02070  54  ALA A C   
421 O O   . ALA A 50  ? 0.45026 0.49397 0.35092 -0.16058 -0.07328 0.02017  54  ALA A O   
422 C CB  . ALA A 50  ? 0.49494 0.63395 0.47592 -0.15861 -0.07844 0.02328  54  ALA A CB  
423 N N   . ASP A 51  ? 0.47555 0.50282 0.36570 -0.17257 -0.04674 0.01963  55  ASP A N   
424 C CA  . ASP A 51  ? 0.53327 0.51353 0.38187 -0.18809 -0.04014 0.01679  55  ASP A CA  
425 C C   . ASP A 51  ? 0.52293 0.46760 0.34951 -0.17006 -0.02648 0.01805  55  ASP A C   
426 O O   . ASP A 51  ? 0.54406 0.44645 0.33485 -0.17948 -0.01867 0.01585  55  ASP A O   
427 C CB  . ASP A 51  ? 0.61200 0.56951 0.44101 -0.21065 -0.02580 0.01455  55  ASP A CB  
428 C CG  . ASP A 51  ? 0.79371 0.78716 0.64607 -0.23433 -0.03860 0.01154  55  ASP A CG  
429 O OD1 . ASP A 51  ? 0.74385 0.76707 0.61253 -0.23878 -0.06175 0.01042  55  ASP A OD1 
430 O OD2 . ASP A 51  ? 0.96091 0.95325 0.81598 -0.24789 -0.02477 0.01079  55  ASP A OD2 
431 N N   . LEU A 52  ? 0.45276 0.41382 0.29972 -0.14495 -0.02316 0.02081  56  LEU A N   
432 C CA  . LEU A 52  ? 0.47095 0.40662 0.30470 -0.12768 -0.01145 0.02163  56  LEU A CA  
433 C C   . LEU A 52  ? 0.47619 0.39984 0.30163 -0.13008 -0.01783 0.01930  56  LEU A C   
434 O O   . LEU A 52  ? 0.45897 0.40739 0.30215 -0.13082 -0.03415 0.01866  56  LEU A O   
435 C CB  . LEU A 52  ? 0.40546 0.36923 0.26654 -0.10266 -0.01255 0.02316  56  LEU A CB  
436 C CG  . LEU A 52  ? 0.46450 0.40931 0.31742 -0.08443 -0.00068 0.02417  56  LEU A CG  
437 C CD1 . LEU A 52  ? 0.50383 0.41799 0.33039 -0.08228 0.01693  0.02850  56  LEU A CD1 
438 C CD2 . LEU A 52  ? 0.42530 0.40407 0.30906 -0.06233 -0.00866 0.02256  56  LEU A CD2 
439 N N   . THR A 53  ? 0.49715 0.37981 0.29338 -0.13029 -0.00307 0.01871  57  THR A N   
440 C CA  . THR A 53  ? 0.49578 0.36271 0.28084 -0.13199 -0.00512 0.01683  57  THR A CA  
441 C C   . THR A 53  ? 0.46514 0.34828 0.27678 -0.11043 -0.00214 0.01692  57  THR A C   
442 O O   . THR A 53  ? 0.43981 0.33882 0.27167 -0.09316 0.00354  0.01790  57  THR A O   
443 C CB  . THR A 53  ? 0.54586 0.35902 0.28622 -0.14252 0.01183  0.01523  57  THR A CB  
444 O OG1 . THR A 53  ? 0.55655 0.35373 0.29646 -0.12489 0.03248  0.01739  57  THR A OG1 
445 C CG2 . THR A 53  ? 0.54461 0.33777 0.25589 -0.16737 0.01009  0.01289  57  THR A CG2 
446 N N   . VAL A 54  ? 0.39752 0.35779 0.28969 -0.11892 -0.00645 0.04983  58  VAL A N   
447 C CA  . VAL A 54  ? 0.38289 0.34116 0.27917 -0.10169 -0.00446 0.04617  58  VAL A CA  
448 C C   . VAL A 54  ? 0.41398 0.34360 0.30072 -0.09584 0.00007  0.04581  58  VAL A C   
449 O O   . VAL A 54  ? 0.41026 0.34382 0.30247 -0.08275 0.00181  0.04602  58  VAL A O   
450 C CB  . VAL A 54  ? 0.39195 0.35028 0.28802 -0.09967 -0.00725 0.04072  58  VAL A CB  
451 C CG1 . VAL A 54  ? 0.38125 0.33291 0.28132 -0.08646 -0.00352 0.03668  58  VAL A CG1 
452 C CG2 . VAL A 54  ? 0.34891 0.33699 0.25801 -0.10020 -0.01376 0.04252  58  VAL A CG2 
453 N N   . GLY A 55  ? 0.45083 0.35186 0.32424 -0.10440 0.00112  0.04352  59  GLY A N   
454 C CA  . GLY A 55  ? 0.46303 0.33555 0.32968 -0.09582 0.00476  0.04167  59  GLY A CA  
455 C C   . GLY A 55  ? 0.47865 0.34717 0.34504 -0.09215 0.00496  0.05302  59  GLY A C   
456 O O   . GLY A 55  ? 0.49067 0.35220 0.35829 -0.07716 0.00585  0.05408  59  GLY A O   
457 N N   . GLN A 56  ? 0.47843 0.35499 0.34334 -0.10591 0.00400  0.06253  60  GLN A N   
458 C CA  . GLN A 56  ? 0.49781 0.37201 0.35860 -0.10347 0.00510  0.07643  60  GLN A CA  
459 C C   . GLN A 56  ? 0.47889 0.38789 0.34814 -0.08868 0.00467  0.07795  60  GLN A C   
460 O O   . GLN A 56  ? 0.47172 0.37858 0.33513 -0.07916 0.00443  0.08700  60  GLN A O   
461 C CB  . GLN A 56  ? 0.52802 0.40404 0.38525 -0.12507 0.00620  0.08686  60  GLN A CB  
462 C CG  . GLN A 56  ? 0.55253 0.38737 0.40086 -0.13980 0.00577  0.08409  60  GLN A CG  
463 C CD  . GLN A 56  ? 0.59601 0.44035 0.44677 -0.16552 0.00598  0.08868  60  GLN A CD  
464 O OE1 . GLN A 56  ? 0.52875 0.41567 0.38986 -0.17120 0.00677  0.09255  60  GLN A OE1 
465 N NE2 . GLN A 56  ? 0.71034 0.51618 0.55364 -0.18172 0.00527  0.08647  60  GLN A NE2 
466 N N   . PHE A 57  ? 0.43641 0.37657 0.31865 -0.08650 0.00361  0.06910  61  PHE A N   
467 C CA  . PHE A 57  ? 0.41619 0.38747 0.30818 -0.07297 0.00274  0.06603  61  PHE A CA  
468 C C   . PHE A 57  ? 0.43017 0.39298 0.32603 -0.05650 0.00153  0.05855  61  PHE A C   
469 O O   . PHE A 57  ? 0.40935 0.39077 0.30900 -0.04458 -0.00023 0.05750  61  PHE A O   
470 C CB  . PHE A 57  ? 0.38316 0.38441 0.28992 -0.07486 0.00131  0.05815  61  PHE A CB  
471 C CG  . PHE A 57  ? 0.38303 0.41817 0.30002 -0.06379 0.00076  0.05350  61  PHE A CG  
472 C CD1 . PHE A 57  ? 0.39329 0.45005 0.30432 -0.06591 0.00332  0.06114  61  PHE A CD1 
473 C CD2 . PHE A 57  ? 0.40383 0.44789 0.33504 -0.05216 -0.00178 0.04114  61  PHE A CD2 
474 C CE1 . PHE A 57  ? 0.37706 0.46699 0.29489 -0.05492 0.00307  0.05391  61  PHE A CE1 
475 C CE2 . PHE A 57  ? 0.36901 0.44203 0.30984 -0.04180 -0.00289 0.03319  61  PHE A CE2 
476 C CZ  . PHE A 57  ? 0.34736 0.44488 0.28109 -0.04284 -0.00055 0.03835  61  PHE A CZ  
477 N N   . VAL A 58  ? 0.42728 0.36546 0.32217 -0.05594 0.00261  0.05241  62  VAL A N   
478 C CA  . VAL A 58  ? 0.44442 0.37701 0.34501 -0.04131 0.00278  0.04552  62  VAL A CA  
479 C C   . VAL A 58  ? 0.46907 0.39424 0.36244 -0.03097 0.00036  0.05423  62  VAL A C   
480 O O   . VAL A 58  ? 0.46965 0.41103 0.37108 -0.01675 -0.00257 0.05055  62  VAL A O   
481 C CB  . VAL A 58  ? 0.45362 0.36232 0.35181 -0.04335 0.00644  0.03764  62  VAL A CB  
482 C CG1 . VAL A 58  ? 0.46660 0.37508 0.37419 -0.02770 0.00781  0.02993  62  VAL A CG1 
483 C CG2 . VAL A 58  ? 0.43589 0.35420 0.33832 -0.05239 0.00779  0.03154  62  VAL A CG2 
484 N N   . PHE A 59  ? 0.49830 0.39844 0.37647 -0.03832 0.00063  0.06657  63  PHE A N   
485 C CA  A PHE A 59  ? 0.53290 0.42059 0.40120 -0.02814 -0.00261 0.07922  63  PHE A CA  
486 C CA  B PHE A 59  ? 0.53219 0.42016 0.40059 -0.02805 -0.00263 0.07915  63  PHE A CA  
487 C C   . PHE A 59  ? 0.51638 0.43935 0.38303 -0.02305 -0.00554 0.08625  63  PHE A C   
488 O O   . PHE A 59  ? 0.52344 0.45332 0.38773 -0.00738 -0.01057 0.09027  63  PHE A O   
489 C CB  A PHE A 59  ? 0.57902 0.42821 0.43134 -0.04103 -0.00119 0.09273  63  PHE A CB  
490 C CB  B PHE A 59  ? 0.58004 0.43014 0.43228 -0.04025 -0.00139 0.09319  63  PHE A CB  
491 C CG  A PHE A 59  ? 0.62417 0.44075 0.46598 -0.02879 -0.00489 0.10536  63  PHE A CG  
492 C CG  B PHE A 59  ? 0.60835 0.42044 0.45968 -0.04337 0.00064  0.08399  63  PHE A CG  
493 C CD1 A PHE A 59  ? 0.65703 0.44951 0.50443 -0.01288 -0.00653 0.09610  63  PHE A CD1 
494 C CD1 B PHE A 59  ? 0.65006 0.43362 0.50108 -0.02705 -0.00116 0.08160  63  PHE A CD1 
495 C CD2 A PHE A 59  ? 0.66717 0.47508 0.49292 -0.03411 -0.00624 0.12778  63  PHE A CD2 
496 C CD2 B PHE A 59  ? 0.60147 0.40799 0.45193 -0.06167 0.00371  0.07676  63  PHE A CD2 
497 C CE1 A PHE A 59  ? 0.68476 0.44410 0.52389 0.00064  -0.01133 0.10846  63  PHE A CE1 
498 C CE1 B PHE A 59  ? 0.67048 0.42039 0.52018 -0.02891 0.00157  0.06998  63  PHE A CE1 
499 C CE2 A PHE A 59  ? 0.71593 0.48841 0.53014 -0.02229 -0.01094 0.14320  63  PHE A CE2 
500 C CE2 B PHE A 59  ? 0.62390 0.39754 0.47060 -0.06489 0.00543  0.06595  63  PHE A CE2 
501 C CZ  A PHE A 59  ? 0.69963 0.44692 0.52160 -0.00362 -0.01433 0.13303  63  PHE A CZ  
502 C CZ  B PHE A 59  ? 0.66965 0.41431 0.51567 -0.04861 0.00510  0.06166  63  PHE A CZ  
503 N N   . VAL A 60  ? 0.48153 0.43000 0.34936 -0.03505 -0.00291 0.08664  64  VAL A N   
504 C CA  . VAL A 60  ? 0.47624 0.46293 0.34215 -0.03051 -0.00425 0.08931  64  VAL A CA  
505 C C   . VAL A 60  ? 0.47498 0.48550 0.35471 -0.01365 -0.00903 0.07393  64  VAL A C   
506 O O   . VAL A 60  ? 0.49411 0.52554 0.36788 -0.00264 -0.01350 0.07648  64  VAL A O   
507 C CB  . VAL A 60  ? 0.47214 0.48611 0.34372 -0.04410 0.00014  0.08624  64  VAL A CB  
508 C CG1 . VAL A 60  ? 0.46733 0.52697 0.34131 -0.03600 -0.00061 0.08058  64  VAL A CG1 
509 C CG2 . VAL A 60  ? 0.47477 0.47608 0.33518 -0.06326 0.00491  0.10141  64  VAL A CG2 
510 N N   . ILE A 61  ? 0.42934 0.44122 0.32761 -0.01356 -0.00815 0.05755  65  ILE A N   
511 C CA  . ILE A 61  ? 0.42387 0.45676 0.33907 -0.00135 -0.01196 0.04182  65  ILE A CA  
512 C C   . ILE A 61  ? 0.44546 0.46950 0.35996 0.01252  -0.01643 0.04340  65  ILE A C   
513 O O   . ILE A 61  ? 0.45868 0.50756 0.37780 0.02452  -0.02264 0.03793  65  ILE A O   
514 C CB  . ILE A 61  ? 0.39631 0.42537 0.32980 -0.00648 -0.00901 0.02827  65  ILE A CB  
515 C CG1 . ILE A 61  ? 0.36412 0.40719 0.30236 -0.01529 -0.00739 0.02531  65  ILE A CG1 
516 C CG2 . ILE A 61  ? 0.38272 0.42701 0.33530 0.00355  -0.01205 0.01338  65  ILE A CG2 
517 C CD1 . ILE A 61  ? 0.37474 0.40605 0.32502 -0.02195 -0.00518 0.01868  65  ILE A CD1 
518 N N   . ARG A 62  ? 0.44291 0.43304 0.35196 0.01211  -0.01419 0.04972  66  ARG A N   
519 C CA  . ARG A 62  ? 0.45854 0.44080 0.37073 0.02848  -0.01877 0.04978  66  ARG A CA  
520 C C   . ARG A 62  ? 0.48312 0.47770 0.38166 0.04040  -0.02704 0.06269  66  ARG A C   
521 O O   . ARG A 62  ? 0.49197 0.50393 0.39913 0.05691  -0.03449 0.05775  66  ARG A O   
522 C CB  . ARG A 62  ? 0.47608 0.41670 0.38177 0.02725  -0.01497 0.05458  66  ARG A CB  
523 C CG  . ARG A 62  ? 0.47466 0.40910 0.38924 0.04745  -0.01933 0.05109  66  ARG A CG  
524 C CD  . ARG A 62  ? 0.51433 0.40963 0.42684 0.04796  -0.01424 0.04878  66  ARG A CD  
525 N NE  . ARG A 62  ? 0.51888 0.41479 0.44069 0.03647  -0.00514 0.03345  66  ARG A NE  
526 C CZ  . ARG A 62  ? 0.51389 0.43094 0.45591 0.04163  -0.00133 0.01754  66  ARG A CZ  
527 N NH1 . ARG A 62  ? 0.49368 0.43886 0.45383 0.05712  -0.00633 0.01155  66  ARG A NH1 
528 N NH2 . ARG A 62  ? 0.46913 0.38124 0.41307 0.03007  0.00764  0.00777  66  ARG A NH2 
529 N N   . LYS A 63  ? 0.49731 0.48411 0.37389 0.03184  -0.02597 0.08051  67  LYS A N   
530 C CA  . LYS A 63  ? 0.53436 0.53011 0.39186 0.04163  -0.03300 0.09742  67  LYS A CA  
531 C C   . LYS A 63  ? 0.54135 0.58707 0.40274 0.04907  -0.03850 0.08669  67  LYS A C   
532 O O   . LYS A 63  ? 0.53575 0.59789 0.38886 0.06461  -0.04810 0.09240  67  LYS A O   
533 C CB  . LYS A 63  ? 0.56002 0.53560 0.39310 0.02606  -0.02784 0.12026  67  LYS A CB  
534 C CG  . LYS A 63  ? 0.60277 0.52331 0.42961 0.02205  -0.02577 0.13199  67  LYS A CG  
535 C CD  . LYS A 63  ? 0.63844 0.53425 0.44301 0.00505  -0.02134 0.15588  67  LYS A CD  
536 C CE  . LYS A 63  ? 0.63814 0.54132 0.44779 -0.01900 -0.01198 0.14978  67  LYS A CE  
537 N NZ  . LYS A 63  ? 0.69443 0.58197 0.48379 -0.03687 -0.00743 0.17434  67  LYS A NZ  
538 N N   . ARG A 64  ? 0.50260 0.57245 0.37615 0.03907  -0.03360 0.07059  68  ARG A N   
539 C CA  . ARG A 64  ? 0.53918 0.65418 0.41885 0.04553  -0.03858 0.05526  68  ARG A CA  
540 C C   . ARG A 64  ? 0.52773 0.65686 0.42994 0.05886  -0.04639 0.03728  68  ARG A C   
541 O O   . ARG A 64  ? 0.59747 0.75604 0.49642 0.07169  -0.05626 0.03362  68  ARG A O   
542 C CB  . ARG A 64  ? 0.58435 0.71596 0.47569 0.03352  -0.03182 0.04050  68  ARG A CB  
543 C CG  . ARG A 64  ? 0.58789 0.71980 0.46377 0.01968  -0.02370 0.05313  68  ARG A CG  
544 C CD  . ARG A 64  ? 0.67685 0.84054 0.52900 0.02228  -0.02454 0.06279  68  ARG A CD  
545 N NE  . ARG A 64  ? 0.66957 0.84062 0.51174 0.00718  -0.01472 0.07282  68  ARG A NE  
546 C CZ  . ARG A 64  ? 0.76869 0.91097 0.59970 -0.00658 -0.00872 0.09379  68  ARG A CZ  
547 N NH1 . ARG A 64  ? 0.70127 0.79904 0.52993 -0.00681 -0.01111 0.10527  68  ARG A NH1 
548 N NH2 . ARG A 64  ? 0.59089 0.75059 0.41489 -0.02087 0.00014  0.10158  68  ARG A NH2 
549 N N   . ILE A 65  ? 0.49966 0.61215 0.42497 0.05501  -0.04205 0.02547  69  ILE A N   
550 C CA  . ILE A 65  ? 0.48879 0.61972 0.44115 0.06310  -0.04687 0.00598  69  ILE A CA  
551 C C   . ILE A 65  ? 0.48572 0.60992 0.44094 0.07861  -0.05302 0.01182  69  ILE A C   
552 O O   . ILE A 65  ? 0.47982 0.62682 0.45889 0.08696  -0.05822 -0.00368 69  ILE A O   
553 C CB  . ILE A 65  ? 0.47381 0.59407 0.44948 0.05099  -0.03834 -0.00822 69  ILE A CB  
554 C CG1 . ILE A 65  ? 0.45845 0.54180 0.43147 0.04592  -0.03028 0.00073  69  ILE A CG1 
555 C CG2 . ILE A 65  ? 0.47449 0.59816 0.44884 0.03854  -0.03364 -0.01277 69  ILE A CG2 
556 C CD1 . ILE A 65  ? 0.43528 0.51219 0.42950 0.03556  -0.02232 -0.01207 69  ILE A CD1 
557 N N   . LYS A 66  ? 0.48959 0.58356 0.42320 0.08274  -0.05288 0.03320  70  LYS A N   
558 C CA  . LYS A 66  ? 0.50280 0.58835 0.43518 0.10198  -0.06118 0.04218  70  LYS A CA  
559 C C   . LYS A 66  ? 0.48425 0.56571 0.44582 0.10744  -0.05782 0.02659  70  LYS A C   
560 O O   . LYS A 66  ? 0.43688 0.53668 0.41425 0.12531  -0.06622 0.02082  70  LYS A O   
561 C CB  . LYS A 66  ? 0.49703 0.62063 0.42289 0.11788  -0.07579 0.04405  70  LYS A CB  
562 C CG  . LYS A 66  ? 0.56870 0.69586 0.45907 0.11338  -0.07764 0.06367  70  LYS A CG  
563 C CD  . LYS A 66  ? 0.58702 0.74566 0.46121 0.13208  -0.09349 0.07257  70  LYS A CD  
564 C CE  . LYS A 66  ? 0.68272 0.81177 0.51836 0.13524  -0.09539 0.10812  70  LYS A CE  
565 N NZ  . LYS A 66  ? 0.69534 0.85141 0.50439 0.15140  -0.11006 0.12450  70  LYS A NZ  
566 N N   . LEU A 67  ? 0.48028 0.53862 0.44778 0.09214  -0.04515 0.02075  71  LEU A N   
567 C CA  . LEU A 67  ? 0.47203 0.52706 0.46351 0.09350  -0.03826 0.00631  71  LEU A CA  
568 C C   . LEU A 67  ? 0.48177 0.49788 0.46422 0.10270  -0.03578 0.01540  71  LEU A C   
569 O O   . LEU A 67  ? 0.49974 0.47902 0.45878 0.09428  -0.03234 0.02936  71  LEU A O   
570 C CB  . LEU A 67  ? 0.45093 0.50212 0.44959 0.07256  -0.02645 -0.00356 71  LEU A CB  
571 C CG  . LEU A 67  ? 0.45503 0.51140 0.47804 0.07118  -0.01771 -0.01880 71  LEU A CG  
572 C CD1 . LEU A 67  ? 0.47321 0.57300 0.52650 0.07785  -0.02280 -0.03451 71  LEU A CD1 
573 C CD2 . LEU A 67  ? 0.45432 0.49659 0.47508 0.05038  -0.00598 -0.02182 71  LEU A CD2 
574 N N   . SER A 68  ? 0.50104 0.52659 0.50432 0.11982  -0.03758 0.00575  72  SER A N   
575 C CA  . SER A 68  ? 0.54066 0.52962 0.53990 0.13142  -0.03486 0.00931  72  SER A CA  
576 C C   . SER A 68  ? 0.56536 0.52155 0.55502 0.11291  -0.02063 0.00534  72  SER A C   
577 O O   . SER A 68  ? 0.53741 0.50935 0.53717 0.09771  -0.01116 -0.00692 72  SER A O   
578 C CB  . SER A 68  ? 0.55589 0.57055 0.58624 0.15206  -0.03659 -0.00640 72  SER A CB  
579 O OG  . SER A 68  ? 0.61471 0.59426 0.64395 0.16266  -0.03130 -0.00838 72  SER A OG  
580 N N   . ALA A 69  ? 0.62112 0.53066 0.59163 0.11503  -0.01993 0.01548  73  ALA A N   
581 C CA  . ALA A 69  ? 0.64068 0.51786 0.59891 0.09772  -0.00865 0.01113  73  ALA A CA  
582 C C   . ALA A 69  ? 0.68166 0.56956 0.65795 0.09911  0.00273  -0.01085 73  ALA A C   
583 O O   . ALA A 69  ? 0.75207 0.63033 0.71974 0.08117  0.01269  -0.01727 73  ALA A O   
584 C CB  . ALA A 69  ? 0.72434 0.54879 0.66182 0.10138  -0.01198 0.02444  73  ALA A CB  
585 N N   . GLU A 70  ? 0.68035 0.59239 0.68152 0.11982  0.00161  -0.02249 74  GLU A N   
586 C CA  . GLU A 70  ? 0.70608 0.63934 0.72698 0.11956  0.01456  -0.04373 74  GLU A CA  
587 C C   . GLU A 70  ? 0.65968 0.62249 0.68602 0.09661  0.02326  -0.04894 74  GLU A C   
588 O O   . GLU A 70  ? 0.76124 0.73331 0.79368 0.08874  0.03664  -0.06209 74  GLU A O   
589 C CB  . GLU A 70  ? 0.75330 0.71995 0.80603 0.14524  0.01081  -0.05503 74  GLU A CB  
590 C CG  . GLU A 70  ? 0.86344 0.79930 0.91545 0.17247  0.00352  -0.05315 74  GLU A CG  
591 C CD  . GLU A 70  ? 0.97891 0.95380 1.06457 0.20150  -0.00475 -0.06142 74  GLU A CD  
592 O OE1 . GLU A 70  ? 0.96739 0.99084 1.07209 0.19994  -0.01016 -0.06292 74  GLU A OE1 
593 O OE2 . GLU A 70  ? 0.99293 0.95036 1.08753 0.22660  -0.00672 -0.06775 74  GLU A OE2 
594 N N   . LYS A 71  ? 0.59105 0.56846 0.61494 0.08627  0.01631  -0.03908 75  LYS A N   
595 C CA  . LYS A 71  ? 0.52655 0.52888 0.55905 0.06716  0.02251  -0.04359 75  LYS A CA  
596 C C   . LYS A 71  ? 0.50743 0.48536 0.51410 0.04791  0.02289  -0.03202 75  LYS A C   
597 O O   . LYS A 71  ? 0.48313 0.44624 0.47400 0.04850  0.01419  -0.01933 75  LYS A O   
598 C CB  . LYS A 71  ? 0.47865 0.52043 0.53377 0.07154  0.01378  -0.04636 75  LYS A CB  
599 C CG  . LYS A 71  ? 0.49667 0.57322 0.58401 0.08799  0.01380  -0.06061 75  LYS A CG  
600 C CD  . LYS A 71  ? 0.54064 0.65917 0.65728 0.07660  0.01706  -0.07249 75  LYS A CD  
601 C CE  . LYS A 71  ? 0.65723 0.81562 0.81035 0.09000  0.02036  -0.08901 75  LYS A CE  
602 N NZ  . LYS A 71  ? 0.56246 0.76893 0.75013 0.08306  0.01705  -0.10096 75  LYS A NZ  
603 N N   . ALA A 72  ? 0.48061 0.45647 0.48280 0.03119  0.03295  -0.03557 76  ALA A N   
604 C CA  . ALA A 72  ? 0.44729 0.39914 0.42497 0.01536  0.03291  -0.02588 76  ALA A CA  
605 C C   . ALA A 72  ? 0.41428 0.38149 0.39620 0.00619  0.02734  -0.01959 76  ALA A C   
606 O O   . ALA A 72  ? 0.38658 0.38005 0.38978 0.00688  0.02709  -0.02566 76  ALA A O   
607 C CB  . ALA A 72  ? 0.48644 0.42945 0.45363 0.00310  0.04452  -0.03158 76  ALA A CB  
608 N N   . ILE A 73  ? 0.33725 0.28905 0.30093 -0.00233 0.02279  -0.00906 77  ILE A N   
609 C CA  . ILE A 73  ? 0.36041 0.32505 0.32695 -0.01004 0.01814  -0.00457 77  ILE A CA  
610 C C   . ILE A 73  ? 0.37875 0.33022 0.33148 -0.02476 0.02092  0.00025  77  ILE A C   
611 O O   . ILE A 73  ? 0.37876 0.30983 0.31334 -0.02943 0.02156  0.00433  77  ILE A O   
612 C CB  . ILE A 73  ? 0.36596 0.33356 0.32546 -0.00447 0.00936  0.00374  77  ILE A CB  
613 C CG1 . ILE A 73  ? 0.35654 0.34275 0.32896 0.01120  0.00412  -0.00042 77  ILE A CG1 
614 C CG2 . ILE A 73  ? 0.34237 0.32306 0.30333 -0.01233 0.00609  0.00611  77  ILE A CG2 
615 C CD1 . ILE A 73  ? 0.35530 0.33965 0.31320 0.01812  -0.00364 0.01131  77  ILE A CD1 
616 N N   . PHE A 74  ? 0.32618 0.28830 0.28785 -0.03180 0.02124  -0.00018 78  PHE A N   
617 C CA  . PHE A 74  ? 0.34846 0.30091 0.29793 -0.04356 0.02173  0.00591  78  PHE A CA  
618 C C   . PHE A 74  ? 0.31255 0.27580 0.26931 -0.04427 0.01436  0.00960  78  PHE A C   
619 O O   . PHE A 74  ? 0.31764 0.29543 0.29240 -0.03901 0.01204  0.00423  78  PHE A O   
620 C CB  . PHE A 74  ? 0.37144 0.32323 0.32332 -0.05076 0.02936  0.00444  78  PHE A CB  
621 C CG  . PHE A 74  ? 0.37889 0.32602 0.32454 -0.04991 0.03890  -0.00192 78  PHE A CG  
622 C CD1 . PHE A 74  ? 0.39707 0.35772 0.36137 -0.04135 0.04325  -0.01093 78  PHE A CD1 
623 C CD2 . PHE A 74  ? 0.44073 0.37338 0.36325 -0.05644 0.04276  -0.00116 78  PHE A CD2 
624 C CE1 . PHE A 74  ? 0.43266 0.39328 0.39499 -0.03776 0.05250  -0.01912 78  PHE A CE1 
625 C CE2 . PHE A 74  ? 0.46873 0.39904 0.38602 -0.05378 0.05270  -0.01076 78  PHE A CE2 
626 C CZ  . PHE A 74  ? 0.45555 0.40026 0.39421 -0.04354 0.05780  -0.01955 78  PHE A CZ  
627 N N   . ILE A 75  ? 0.30081 0.25942 0.24536 -0.05032 0.01049  0.01649  79  ILE A N   
628 C CA  . ILE A 75  ? 0.30041 0.27243 0.25321 -0.04977 0.00401  0.01878  79  ILE A CA  
629 C C   . ILE A 75  ? 0.30402 0.27113 0.25735 -0.05509 0.00255  0.02288  79  ILE A C   
630 O O   . ILE A 75  ? 0.32816 0.28374 0.26546 -0.06262 0.00424  0.02768  79  ILE A O   
631 C CB  . ILE A 75  ? 0.31557 0.29174 0.25803 -0.05309 0.00057  0.02421  79  ILE A CB  
632 C CG1 . ILE A 75  ? 0.34248 0.32414 0.28415 -0.04659 0.00104  0.02367  79  ILE A CG1 
633 C CG2 . ILE A 75  ? 0.32088 0.31498 0.27235 -0.05318 -0.00510 0.02573  79  ILE A CG2 
634 C CD1 . ILE A 75  ? 0.37761 0.36333 0.30920 -0.05280 -0.00059 0.03143  79  ILE A CD1 
635 N N   . PHE A 76  ? 0.27892 0.25354 0.24999 -0.05049 -0.00113 0.02061  80  PHE A N   
636 C CA  . PHE A 76  ? 0.31509 0.28219 0.28845 -0.05295 -0.00461 0.02714  80  PHE A CA  
637 C C   . PHE A 76  ? 0.30982 0.29038 0.29383 -0.04656 -0.01319 0.02688  80  PHE A C   
638 O O   . PHE A 76  ? 0.27981 0.27742 0.27503 -0.03963 -0.01459 0.01840  80  PHE A O   
639 C CB  . PHE A 76  ? 0.29562 0.25456 0.28511 -0.05259 -0.00156 0.02426  80  PHE A CB  
640 C CG  . PHE A 76  ? 0.34502 0.29760 0.32978 -0.05875 0.00810  0.02321  80  PHE A CG  
641 C CD1 . PHE A 76  ? 0.30784 0.27091 0.30092 -0.05481 0.01218  0.01265  80  PHE A CD1 
642 C CD2 . PHE A 76  ? 0.34120 0.28072 0.31388 -0.06756 0.01312  0.03270  80  PHE A CD2 
643 C CE1 . PHE A 76  ? 0.36051 0.32238 0.35298 -0.05904 0.02165  0.01014  80  PHE A CE1 
644 C CE2 . PHE A 76  ? 0.38201 0.32088 0.35157 -0.07354 0.02428  0.03035  80  PHE A CE2 
645 C CZ  . PHE A 76  ? 0.36960 0.32080 0.35183 -0.06867 0.02857  0.01789  80  PHE A CZ  
646 N N   . VAL A 77  ? 0.30460 0.28176 0.28418 -0.04796 -0.01920 0.03582  81  VAL A N   
647 C CA  A VAL A 77  ? 0.32127 0.31191 0.31674 -0.03887 -0.02785 0.03465  81  VAL A CA  
648 C CA  B VAL A 77  ? 0.30574 0.29654 0.30093 -0.03895 -0.02797 0.03485  81  VAL A CA  
649 C C   . VAL A 77  ? 0.32851 0.30065 0.32857 -0.03619 -0.03296 0.04341  81  VAL A C   
650 O O   . VAL A 77  ? 0.34995 0.30971 0.33161 -0.04346 -0.03370 0.05586  81  VAL A O   
651 C CB  A VAL A 77  ? 0.31905 0.32970 0.30772 -0.04145 -0.03280 0.03800  81  VAL A CB  
652 C CB  B VAL A 77  ? 0.31903 0.32869 0.30659 -0.04192 -0.03311 0.03888  81  VAL A CB  
653 C CG1 A VAL A 77  ? 0.33598 0.33650 0.30102 -0.05301 -0.03343 0.04763  81  VAL A CG1 
654 C CG1 B VAL A 77  ? 0.30568 0.34003 0.31505 -0.03042 -0.03986 0.03317  81  VAL A CG1 
655 C CG2 A VAL A 77  ? 0.31503 0.34229 0.32266 -0.03039 -0.04212 0.03710  81  VAL A CG2 
656 C CG2 B VAL A 77  ? 0.30773 0.32351 0.28234 -0.05036 -0.02684 0.03628  81  VAL A CG2 
657 N N   . ARG A 78  ? 0.30196 0.27126 0.32504 -0.02562 -0.03699 0.03719  82  ARG A N   
658 C CA  . ARG A 78  ? 0.36930 0.31338 0.39740 -0.02300 -0.04227 0.04810  82  ARG A CA  
659 C C   . ARG A 78  ? 0.38511 0.30627 0.39670 -0.03655 -0.03399 0.05862  82  ARG A C   
660 O O   . ARG A 78  ? 0.40923 0.31430 0.40613 -0.04086 -0.03656 0.07564  82  ARG A O   
661 C CB  . ARG A 78  ? 0.39522 0.34555 0.41900 -0.01662 -0.05391 0.05993  82  ARG A CB  
662 C CG  . ARG A 78  ? 0.41837 0.39287 0.46675 -0.00098 -0.06103 0.04734  82  ARG A CG  
663 C CD  . ARG A 78  ? 0.49391 0.48738 0.54411 0.00685  -0.07274 0.05475  82  ARG A CD  
664 N NE  . ARG A 78  ? 0.55069 0.56587 0.63026 0.02368  -0.07666 0.03894  82  ARG A NE  
665 C CZ  . ARG A 78  ? 0.50961 0.54220 0.60630 0.03881  -0.08798 0.03934  82  ARG A CZ  
666 N NH1 . ARG A 78  ? 0.58017 0.60988 0.66770 0.04011  -0.09894 0.05662  82  ARG A NH1 
667 N NH2 . ARG A 78  ? 0.45873 0.51565 0.58238 0.05404  -0.08864 0.02097  82  ARG A NH2 
668 N N   . ASN A 79  ? 0.34363 0.26786 0.35587 -0.04318 -0.02372 0.04873  83  ASN A N   
669 C CA  . ASN A 79  ? 0.36351 0.27269 0.36800 -0.05518 -0.01360 0.05397  83  ASN A CA  
670 C C   . ASN A 79  ? 0.38184 0.29157 0.35611 -0.06471 -0.00841 0.06410  83  ASN A C   
671 O O   . ASN A 79  ? 0.41846 0.31841 0.38327 -0.07497 0.00116  0.07005  83  ASN A O   
672 C CB  . ASN A 79  ? 0.41533 0.29832 0.42975 -0.05798 -0.01473 0.06436  83  ASN A CB  
673 C CG  . ASN A 79  ? 0.45262 0.33101 0.49837 -0.05066 -0.01833 0.05012  83  ASN A CG  
674 O OD1 . ASN A 79  ? 0.47949 0.37492 0.53829 -0.04890 -0.01502 0.03175  83  ASN A OD1 
675 N ND2 . ASN A 79  ? 0.44040 0.29660 0.49832 -0.04460 -0.02652 0.05703  83  ASN A ND2 
676 N N   . VAL A 80  ? 0.34377 0.26590 0.30310 -0.06280 -0.01393 0.06528  84  VAL A N   
677 C CA  A VAL A 80  ? 0.38248 0.30451 0.31277 -0.07212 -0.00987 0.07097  84  VAL A CA  
678 C CA  B VAL A 80  ? 0.38160 0.30380 0.31183 -0.07198 -0.01019 0.07110  84  VAL A CA  
679 C C   . VAL A 80  ? 0.35510 0.29020 0.28080 -0.07239 -0.00756 0.05928  84  VAL A C   
680 O O   . VAL A 80  ? 0.37190 0.31940 0.31193 -0.06576 -0.01197 0.05217  84  VAL A O   
681 C CB  A VAL A 80  ? 0.39682 0.31803 0.30914 -0.07295 -0.02012 0.08506  84  VAL A CB  
682 C CB  B VAL A 80  ? 0.39556 0.31795 0.30945 -0.07205 -0.02110 0.08464  84  VAL A CB  
683 C CG1 A VAL A 80  ? 0.42580 0.32829 0.33963 -0.07235 -0.02263 0.10089  84  VAL A CG1 
684 C CG1 B VAL A 80  ? 0.40967 0.33486 0.29227 -0.08216 -0.01792 0.08622  84  VAL A CG1 
685 C CG2 A VAL A 80  ? 0.38311 0.32233 0.30664 -0.06453 -0.03225 0.08135  84  VAL A CG2 
686 C CG2 B VAL A 80  ? 0.42468 0.32889 0.34163 -0.07035 -0.02467 0.10013  84  VAL A CG2 
687 N N   . LEU A 81  ? 0.36717 0.29855 0.27194 -0.08017 0.00005  0.05732  85  LEU A N   
688 C CA  . LEU A 81  ? 0.34261 0.27874 0.24252 -0.08055 0.00214  0.04734  85  LEU A CA  
689 C C   . LEU A 81  ? 0.36906 0.31131 0.25596 -0.08495 -0.00680 0.04987  85  LEU A C   
690 O O   . LEU A 81  ? 0.40491 0.34365 0.27013 -0.09220 -0.00833 0.05380  85  LEU A O   
691 C CB  . LEU A 81  ? 0.39020 0.31815 0.27496 -0.08539 0.01340  0.04141  85  LEU A CB  
692 C CG  . LEU A 81  ? 0.35813 0.28575 0.25627 -0.08339 0.02397  0.03754  85  LEU A CG  
693 C CD1 . LEU A 81  ? 0.41615 0.34060 0.29740 -0.08835 0.03525  0.03259  85  LEU A CD1 
694 C CD2 . LEU A 81  ? 0.37333 0.30773 0.29199 -0.07453 0.02374  0.02829  85  LEU A CD2 
695 N N   . PRO A 82  ? 0.34821 0.30239 0.24628 -0.08244 -0.01230 0.04711  86  PRO A N   
696 C CA  . PRO A 82  ? 0.35105 0.31378 0.23888 -0.09019 -0.01954 0.04799  86  PRO A CA  
697 C C   . PRO A 82  ? 0.37973 0.32900 0.24961 -0.09908 -0.01401 0.04105  86  PRO A C   
698 O O   . PRO A 82  ? 0.38484 0.32176 0.25532 -0.09588 -0.00546 0.03555  86  PRO A O   
699 C CB  . PRO A 82  ? 0.33158 0.31380 0.23942 -0.08593 -0.02385 0.04680  86  PRO A CB  
700 C CG  . PRO A 82  ? 0.34532 0.32292 0.26475 -0.07787 -0.01593 0.04164  86  PRO A CG  
701 C CD  . PRO A 82  ? 0.32651 0.29056 0.24647 -0.07380 -0.01184 0.04254  86  PRO A CD  
702 N N   . PRO A 83  ? 0.38460 0.33638 0.24042 -0.10970 -0.01979 0.03976  87  PRO A N   
703 C CA  . PRO A 83  ? 0.43453 0.36878 0.27433 -0.11852 -0.01516 0.03059  87  PRO A CA  
704 C C   . PRO A 83  ? 0.42695 0.35468 0.27786 -0.11806 -0.01168 0.02870  87  PRO A C   
705 O O   . PRO A 83  ? 0.43466 0.37899 0.30007 -0.11893 -0.01575 0.03355  87  PRO A O   
706 C CB  . PRO A 83  ? 0.46337 0.40672 0.29018 -0.13140 -0.02486 0.02879  87  PRO A CB  
707 C CG  . PRO A 83  ? 0.44360 0.40549 0.27196 -0.12627 -0.03299 0.03858  87  PRO A CG  
708 C CD  . PRO A 83  ? 0.40820 0.37743 0.26102 -0.11329 -0.03151 0.04552  87  PRO A CD  
709 N N   . THR A 84  ? 0.44921 0.35360 0.29219 -0.11632 -0.00400 0.02193  88  THR A N   
710 C CA  . THR A 84  ? 0.45440 0.34530 0.30273 -0.11526 -0.00114 0.02223  88  THR A CA  
711 C C   . THR A 84  ? 0.47622 0.36702 0.32300 -0.13045 -0.00637 0.02436  88  THR A C   
712 O O   . THR A 84  ? 0.45696 0.35087 0.31279 -0.13148 -0.00591 0.03153  88  THR A O   
713 C CB  . THR A 84  ? 0.49671 0.36003 0.33507 -0.10984 0.00626  0.01295  88  THR A CB  
714 O OG1 . THR A 84  ? 0.57794 0.44829 0.42564 -0.09565 0.01195  0.01246  88  THR A OG1 
715 C CG2 . THR A 84  ? 0.55428 0.39558 0.39427 -0.10923 0.00721  0.01514  88  THR A CG2 
716 N N   . ALA A 85  ? 0.47700 0.36726 0.31216 -0.14383 -0.01142 0.01832  89  ALA A N   
717 C CA  . ALA A 85  ? 0.48877 0.38059 0.32519 -0.16152 -0.01647 0.01844  89  ALA A CA  
718 C C   . ALA A 85  ? 0.46342 0.39410 0.31691 -0.16581 -0.02303 0.02663  89  ALA A C   
719 O O   . ALA A 85  ? 0.51087 0.44995 0.37048 -0.18191 -0.02597 0.02788  89  ALA A O   
720 C CB  . ALA A 85  ? 0.52647 0.40541 0.34466 -0.17476 -0.02053 0.00520  89  ALA A CB  
721 N N   . ALA A 86  ? 0.43496 0.38943 0.29775 -0.15260 -0.02535 0.03119  90  ALA A N   
722 C CA  . ALA A 86  ? 0.42649 0.41892 0.30779 -0.15277 -0.03208 0.03653  90  ALA A CA  
723 C C   . ALA A 86  ? 0.41792 0.42287 0.31457 -0.15320 -0.02696 0.04233  90  ALA A C   
724 O O   . ALA A 86  ? 0.41652 0.40713 0.31230 -0.14337 -0.01971 0.04500  90  ALA A O   
725 C CB  . ALA A 86  ? 0.41162 0.41801 0.30030 -0.13565 -0.03510 0.04001  90  ALA A CB  
726 N N   . MET A 87  ? 0.41550 0.45206 0.32648 -0.16373 -0.03089 0.04423  91  MET A N   
727 C CA  . MET A 87  ? 0.40370 0.46228 0.32935 -0.16476 -0.02500 0.05034  91  MET A CA  
728 C C   . MET A 87  ? 0.37984 0.46860 0.32282 -0.14514 -0.02563 0.05039  91  MET A C   
729 O O   . MET A 87  ? 0.35073 0.45468 0.30223 -0.13551 -0.03343 0.04732  91  MET A O   
730 C CB  . MET A 87  ? 0.44106 0.52527 0.37733 -0.18642 -0.02710 0.05122  91  MET A CB  
731 C CG  . MET A 87  ? 0.48575 0.53509 0.40775 -0.20623 -0.02260 0.05323  91  MET A CG  
732 S SD  . MET A 87  ? 0.62296 0.69789 0.55780 -0.23689 -0.02680 0.05119  91  MET A SD  
733 C CE  . MET A 87  ? 0.73557 0.75437 0.65234 -0.25517 -0.01838 0.05705  91  MET A CE  
734 N N   . MET A 88  ? 0.34824 0.43755 0.33246 -0.13275 -0.04234 0.00664  92  MET A N   
735 C CA  A MET A 88  ? 0.35618 0.46309 0.36560 -0.11530 -0.04751 0.01423  92  MET A CA  
736 C CA  B MET A 88  ? 0.33674 0.44341 0.34577 -0.11540 -0.04754 0.01422  92  MET A CA  
737 C C   . MET A 88  ? 0.32872 0.46434 0.36239 -0.11621 -0.06503 0.02169  92  MET A C   
738 O O   . MET A 88  ? 0.31866 0.46397 0.36380 -0.10560 -0.07426 0.02912  92  MET A O   
739 C CB  A MET A 88  ? 0.32204 0.42897 0.34778 -0.10083 -0.03414 0.01231  92  MET A CB  
740 C CB  B MET A 88  ? 0.32720 0.43256 0.35132 -0.10091 -0.03370 0.01206  92  MET A CB  
741 C CG  A MET A 88  ? 0.32950 0.41601 0.34381 -0.09107 -0.02289 0.00918  92  MET A CG  
742 C CG  B MET A 88  ? 0.33184 0.41186 0.33831 -0.09648 -0.01930 0.00676  92  MET A CG  
743 S SD  A MET A 88  ? 0.26771 0.35274 0.28327 -0.08185 -0.02983 0.01409  92  MET A SD  
744 S SD  B MET A 88  ? 0.35096 0.42089 0.34805 -0.09112 -0.02128 0.00925  92  MET A SD  
745 C CE  A MET A 88  ? 0.35321 0.41173 0.34529 -0.08693 -0.01561 0.00879  92  MET A CE  
746 C CE  B MET A 88  ? 0.27976 0.37077 0.30373 -0.07681 -0.03392 0.01653  92  MET A CE  
747 N N   . SER A 89  ? 0.33358 0.48364 0.37908 -0.12878 -0.06989 0.02027  93  SER A N   
748 C CA  . SER A 89  ? 0.33461 0.51591 0.40941 -0.12956 -0.08811 0.02827  93  SER A CA  
749 C C   . SER A 89  ? 0.35053 0.53059 0.40767 -0.13377 -0.10803 0.03481  93  SER A C   
750 O O   . SER A 89  ? 0.35078 0.55072 0.43028 -0.12443 -0.12196 0.04473  93  SER A O   
751 C CB  . SER A 89  ? 0.34145 0.53906 0.43331 -0.14642 -0.09186 0.02527  93  SER A CB  
752 O OG  . SER A 89  ? 0.40263 0.57859 0.46006 -0.16677 -0.09392 0.01717  93  SER A OG  
753 N N   . ALA A 90  ? 0.35662 0.51155 0.37202 -0.14752 -0.10884 0.02982  94  ALA A N   
754 C CA  . ALA A 90  ? 0.38132 0.52999 0.37093 -0.15247 -0.12648 0.03666  94  ALA A CA  
755 C C   . ALA A 90  ? 0.40799 0.54870 0.39621 -0.13532 -0.12289 0.04468  94  ALA A C   
756 O O   . ALA A 90  ? 0.41717 0.56806 0.41163 -0.12991 -0.13963 0.05619  94  ALA A O   
757 C CB  . ALA A 90  ? 0.44320 0.56088 0.38156 -0.17082 -0.12356 0.02789  94  ALA A CB  
758 N N   . ILE A 91  ? 0.36546 0.48714 0.34648 -0.12717 -0.10208 0.03920  95  ILE A N   
759 C CA  . ILE A 91  ? 0.38973 0.50306 0.37277 -0.11299 -0.09791 0.04545  95  ILE A CA  
760 C C   . ILE A 91  ? 0.36500 0.50175 0.38786 -0.09696 -0.10632 0.05312  95  ILE A C   
761 O O   . ILE A 91  ? 0.36145 0.49752 0.38781 -0.08889 -0.11488 0.06285  95  ILE A O   
762 C CB  . ILE A 91  ? 0.35595 0.45062 0.33394 -0.10755 -0.07568 0.03698  95  ILE A CB  
763 C CG1 . ILE A 91  ? 0.37321 0.44497 0.31646 -0.12193 -0.06415 0.02811  95  ILE A CG1 
764 C CG2 . ILE A 91  ? 0.35266 0.43727 0.33412 -0.09590 -0.07111 0.04236  95  ILE A CG2 
765 C CD1 . ILE A 91  ? 0.41923 0.47209 0.32144 -0.13422 -0.06896 0.03124  95  ILE A CD1 
766 N N   . TYR A 92  ? 0.31794 0.47331 0.37007 -0.09208 -0.10225 0.04900  96  TYR A N   
767 C CA  . TYR A 92  ? 0.33817 0.51517 0.42763 -0.07675 -0.10729 0.05488  96  TYR A CA  
768 C C   . TYR A 92  ? 0.35807 0.55348 0.46003 -0.07801 -0.12905 0.06660  96  TYR A C   
769 O O   . TYR A 92  ? 0.33865 0.53589 0.45299 -0.06525 -0.13618 0.07553  96  TYR A O   
770 C CB  . TYR A 92  ? 0.32503 0.51858 0.43947 -0.07446 -0.09755 0.04907  96  TYR A CB  
771 C CG  . TYR A 92  ? 0.31855 0.53108 0.46946 -0.05692 -0.09715 0.05335  96  TYR A CG  
772 C CD1 . TYR A 92  ? 0.29814 0.49765 0.45005 -0.04073 -0.08710 0.05041  96  TYR A CD1 
773 C CD2 . TYR A 92  ? 0.33074 0.57331 0.51583 -0.05658 -0.10566 0.05917  96  TYR A CD2 
774 C CE1 . TYR A 92  ? 0.28647 0.49803 0.46642 -0.02436 -0.08387 0.05206  96  TYR A CE1 
775 C CE2 . TYR A 92  ? 0.36062 0.61876 0.57969 -0.03895 -0.10125 0.06234  96  TYR A CE2 
776 C CZ  . TYR A 92  ? 0.32438 0.56473 0.53774 -0.02271 -0.08964 0.05830  96  TYR A CZ  
777 O OH  . TYR A 92  ? 0.31861 0.56898 0.56025 -0.00466 -0.08312 0.05953  96  TYR A OH  
778 N N   . ASP A 93  ? 0.35174 0.56072 0.45245 -0.09331 -0.14076 0.06672  97  ASP A N   
779 C CA  . ASP A 93  ? 0.38433 0.61496 0.50007 -0.09536 -0.16570 0.07849  97  ASP A CA  
780 C C   . ASP A 93  ? 0.41380 0.62731 0.50525 -0.09044 -0.17762 0.08987  97  ASP A C   
781 O O   . ASP A 93  ? 0.41591 0.64436 0.53092 -0.07916 -0.19300 0.10272  97  ASP A O   
782 C CB  . ASP A 93  ? 0.37864 0.61761 0.48309 -0.11768 -0.17829 0.07445  97  ASP A CB  
783 C CG  . ASP A 93  ? 0.41929 0.68230 0.56001 -0.12303 -0.17020 0.06717  97  ASP A CG  
784 O OD1 . ASP A 93  ? 0.40633 0.68268 0.58202 -0.10796 -0.15567 0.06695  97  ASP A OD1 
785 O OD2 . ASP A 93  ? 0.42464 0.69126 0.55681 -0.14366 -0.17815 0.06144  97  ASP A OD2 
786 N N   . GLU A 94  ? 0.42593 0.60690 0.47137 -0.09812 -0.16901 0.08619  98  GLU A N   
787 C CA  . GLU A 94  ? 0.46633 0.62563 0.47844 -0.09844 -0.17766 0.09698  98  GLU A CA  
788 C C   . GLU A 94  ? 0.43650 0.57853 0.45280 -0.08324 -0.16467 0.10093  98  GLU A C   
789 O O   . GLU A 94  ? 0.43572 0.56406 0.43611 -0.08001 -0.17315 0.11358  98  GLU A O   
790 C CB  . GLU A 94  ? 0.51860 0.64955 0.47536 -0.11690 -0.17233 0.09053  98  GLU A CB  
791 C CG  . GLU A 94  ? 0.59173 0.73081 0.53127 -0.13588 -0.18855 0.08621  98  GLU A CG  
792 C CD  . GLU A 94  ? 0.67331 0.78138 0.56215 -0.15304 -0.17437 0.07327  98  GLU A CD  
793 O OE1 . GLU A 94  ? 0.73081 0.81520 0.60435 -0.14889 -0.15037 0.06805  98  GLU A OE1 
794 O OE2 . GLU A 94  ? 0.76377 0.87125 0.63051 -0.17066 -0.18701 0.06766  98  GLU A OE2 
795 N N   . HIS A 95  ? 0.41071 0.55023 0.44488 -0.07501 -0.14493 0.09063  99  HIS A N   
796 C CA  . HIS A 95  ? 0.41049 0.53117 0.44637 -0.06428 -0.13300 0.09164  99  HIS A CA  
797 C C   . HIS A 95  ? 0.38069 0.51240 0.45457 -0.04793 -0.12591 0.08643  99  HIS A C   
798 O O   . HIS A 95  ? 0.35473 0.47073 0.43190 -0.04031 -0.11587 0.08365  99  HIS A O   
799 C CB  . HIS A 95  ? 0.41179 0.50848 0.42001 -0.07274 -0.11434 0.08279  99  HIS A CB  
800 C CG  . HIS A 95  ? 0.45358 0.53383 0.41826 -0.08888 -0.11550 0.08479  99  HIS A CG  
801 N ND1 . HIS A 95  ? 0.50141 0.56649 0.43969 -0.09205 -0.12425 0.09793  99  HIS A ND1 
802 C CD2 . HIS A 95  ? 0.48892 0.56199 0.42768 -0.10275 -0.10848 0.07515  99  HIS A CD2 
803 C CE1 . HIS A 95  ? 0.57864 0.62817 0.47354 -0.10748 -0.12289 0.09575  99  HIS A CE1 
804 N NE2 . HIS A 95  ? 0.59031 0.64386 0.48548 -0.11430 -0.11299 0.08120  99  HIS A NE2 
805 N N   . LYS A 96  ? 0.34881 0.50593 0.45074 -0.04311 -0.12993 0.08431  100 LYS A N   
806 C CA  . LYS A 96  ? 0.33062 0.49512 0.46279 -0.02706 -0.12145 0.07913  100 LYS A CA  
807 C C   . LYS A 96  ? 0.33440 0.48921 0.47944 -0.01246 -0.12576 0.08688  100 LYS A C   
808 O O   . LYS A 96  ? 0.31661 0.46983 0.45998 -0.01158 -0.13939 0.10016  100 LYS A O   
809 C CB  . LYS A 96  ? 0.32246 0.51676 0.48479 -0.02403 -0.12371 0.07838  100 LYS A CB  
810 C CG  . LYS A 96  ? 0.32977 0.54557 0.51799 -0.01848 -0.14114 0.09140  100 LYS A CG  
811 C CD  . LYS A 96  ? 0.35404 0.60048 0.58253 -0.01194 -0.13683 0.08906  100 LYS A CD  
812 C CE  . LYS A 96  ? 0.43801 0.71416 0.69913 -0.00980 -0.15621 0.10210  100 LYS A CE  
813 N NZ  . LYS A 96  ? 0.48199 0.77274 0.73405 -0.03048 -0.17059 0.10363  100 LYS A NZ  
814 N N   . ASP A 97  ? 0.31902 0.46411 0.47412 -0.00120 -0.11452 0.07840  101 ASP A N   
815 C CA  . ASP A 97  ? 0.32824 0.45922 0.49540 0.01238  -0.11603 0.08224  101 ASP A CA  
816 C C   . ASP A 97  ? 0.35588 0.50465 0.55529 0.02752  -0.12184 0.08838  101 ASP A C   
817 O O   . ASP A 97  ? 0.32110 0.49515 0.53865 0.02903  -0.12050 0.08642  101 ASP A O   
818 C CB  . ASP A 97  ? 0.34260 0.45675 0.50738 0.01757  -0.10348 0.06839  101 ASP A CB  
819 C CG  . ASP A 97  ? 0.38034 0.47189 0.54986 0.02562  -0.10465 0.07014  101 ASP A CG  
820 O OD1 . ASP A 97  ? 0.39789 0.47119 0.55344 0.01701  -0.10414 0.07260  101 ASP A OD1 
821 O OD2 . ASP A 97  ? 0.38222 0.47336 0.57060 0.04054  -0.10424 0.06843  101 ASP A OD2 
822 N N   . ASP A 98  ? 0.37087 0.50555 0.58056 0.03934  -0.12665 0.09612  102 ASP A N   
823 C CA  . ASP A 98  ? 0.36927 0.51846 0.61321 0.05681  -0.12993 0.10183  102 ASP A CA  
824 C C   . ASP A 98  ? 0.34498 0.50142 0.60497 0.06763  -0.11436 0.08750  102 ASP A C   
825 O O   . ASP A 98  ? 0.33414 0.51011 0.62536 0.08053  -0.11259 0.09040  102 ASP A O   
826 C CB  . ASP A 98  ? 0.42203 0.54785 0.67319 0.06954  -0.13459 0.11084  102 ASP A CB  
827 C CG  . ASP A 98  ? 0.48268 0.60239 0.72097 0.06299  -0.15136 0.13022  102 ASP A CG  
828 O OD1 . ASP A 98  ? 0.42063 0.56061 0.65189 0.05236  -0.16311 0.13807  102 ASP A OD1 
829 O OD2 . ASP A 98  ? 0.52129 0.61290 0.75397 0.06808  -0.15294 0.13772  102 ASP A OD2 
830 N N   . ASP A 99  ? 0.33555 0.47531 0.57501 0.06390  -0.10256 0.07262  103 ASP A N   
831 C CA  . ASP A 99  ? 0.32903 0.47116 0.57564 0.07454  -0.08788 0.05967  103 ASP A CA  
832 C C   . ASP A 99  ? 0.32816 0.49516 0.57641 0.06679  -0.08109 0.05648  103 ASP A C   
833 O O   . ASP A 99  ? 0.33854 0.50966 0.59312 0.07581  -0.06710 0.04816  103 ASP A O   
834 C CB  . ASP A 99  ? 0.31935 0.43093 0.54326 0.07631  -0.08065 0.04512  103 ASP A CB  
835 C CG  . ASP A 99  ? 0.33974 0.44569 0.53814 0.06038  -0.08076 0.03974  103 ASP A CG  
836 O OD1 . ASP A 99  ? 0.29839 0.42140 0.49209 0.04816  -0.08259 0.04456  103 ASP A OD1 
837 O OD2 . ASP A 99  ? 0.31165 0.39519 0.49549 0.06043  -0.07879 0.02938  103 ASP A OD2 
838 N N   . GLY A 100 ? 0.29267 0.47420 0.53427 0.05025  -0.08965 0.06302  104 GLY A N   
839 C CA  . GLY A 100 ? 0.26254 0.46582 0.50746 0.04081  -0.08384 0.06042  104 GLY A CA  
840 C C   . GLY A 100 ? 0.27607 0.46562 0.48941 0.02812  -0.07688 0.05115  104 GLY A C   
841 O O   . GLY A 100 ? 0.27049 0.47293 0.48224 0.01796  -0.07210 0.04930  104 GLY A O   
842 N N   . PHE A 101 ? 0.26332 0.42713 0.45477 0.02873  -0.07586 0.04542  105 PHE A N   
843 C CA  . PHE A 101 ? 0.27494 0.42640 0.44100 0.01863  -0.07030 0.03789  105 PHE A CA  
844 C C   . PHE A 101 ? 0.27350 0.42031 0.42507 0.00395  -0.07853 0.04373  105 PHE A C   
845 O O   . PHE A 101 ? 0.28748 0.43045 0.44156 0.00395  -0.08819 0.05215  105 PHE A O   
846 C CB  . PHE A 101 ? 0.27290 0.40121 0.42754 0.02703  -0.06636 0.02857  105 PHE A CB  
847 C CG  . PHE A 101 ? 0.32400 0.44966 0.47854 0.03967  -0.05608 0.01989  105 PHE A CG  
848 C CD1 . PHE A 101 ? 0.32855 0.46806 0.48392 0.03875  -0.04552 0.01888  105 PHE A CD1 
849 C CD2 . PHE A 101 ? 0.32839 0.43573 0.48036 0.05194  -0.05595 0.01276  105 PHE A CD2 
850 C CE1 . PHE A 101 ? 0.34237 0.47627 0.49232 0.05091  -0.03300 0.01160  105 PHE A CE1 
851 C CE2 . PHE A 101 ? 0.37266 0.47291 0.51611 0.06373  -0.04546 0.00359  105 PHE A CE2 
852 C CZ  . PHE A 101 ? 0.38342 0.49624 0.52383 0.06361  -0.03326 0.00346  105 PHE A CZ  
853 N N   . LEU A 102 ? 0.25537 0.39779 0.38853 -0.00749 -0.07290 0.03904  106 LEU A N   
854 C CA  . LEU A 102 ? 0.24016 0.37080 0.35367 -0.02014 -0.07540 0.04147  106 LEU A CA  
855 C C   . LEU A 102 ? 0.22931 0.34087 0.33528 -0.01694 -0.06915 0.03481  106 LEU A C   
856 O O   . LEU A 102 ? 0.24241 0.35095 0.34674 -0.01236 -0.06196 0.02656  106 LEU A O   
857 C CB  . LEU A 102 ? 0.23660 0.37152 0.33573 -0.03431 -0.07153 0.03929  106 LEU A CB  
858 C CG  . LEU A 102 ? 0.28330 0.40205 0.35725 -0.04692 -0.06847 0.03863  106 LEU A CG  
859 C CD1 . LEU A 102 ? 0.26438 0.38088 0.33060 -0.05185 -0.07987 0.04888  106 LEU A CD1 
860 C CD2 . LEU A 102 ? 0.28096 0.40163 0.34164 -0.05959 -0.06336 0.03413  106 LEU A CD2 
861 N N   . TYR A 103 ? 0.23813 0.33709 0.34061 -0.01949 -0.07228 0.03917  107 TYR A N   
862 C CA  . TYR A 103 ? 0.25353 0.33777 0.35670 -0.01786 -0.06752 0.03346  107 TYR A CA  
863 C C   . TYR A 103 ? 0.25094 0.32780 0.33874 -0.03043 -0.05998 0.03421  107 TYR A C   
864 O O   . TYR A 103 ? 0.28092 0.35335 0.35643 -0.03902 -0.06119 0.04229  107 TYR A O   
865 C CB  . TYR A 103 ? 0.25705 0.33058 0.37166 -0.01247 -0.07321 0.03732  107 TYR A CB  
866 C CG  . TYR A 103 ? 0.26972 0.34421 0.39848 0.00182  -0.07758 0.03298  107 TYR A CG  
867 C CD1 . TYR A 103 ? 0.29396 0.37938 0.43091 0.00854  -0.08211 0.03891  107 TYR A CD1 
868 C CD2 . TYR A 103 ? 0.25646 0.32046 0.39033 0.00865  -0.07719 0.02246  107 TYR A CD2 
869 C CE1 . TYR A 103 ? 0.29720 0.38182 0.44630 0.02246  -0.08231 0.03425  107 TYR A CE1 
870 C CE2 . TYR A 103 ? 0.28641 0.34704 0.42641 0.02156  -0.07938 0.01685  107 TYR A CE2 
871 C CZ  . TYR A 103 ? 0.29873 0.36887 0.44607 0.02872  -0.08008 0.02271  107 TYR A CZ  
872 O OH  . TYR A 103 ? 0.30273 0.36775 0.45627 0.04264  -0.07883 0.01670  107 TYR A OH  
873 N N   . LEU A 104 ? 0.23254 0.30606 0.31993 -0.03043 -0.05196 0.02632  108 LEU A N   
874 C CA  . LEU A 104 ? 0.23895 0.30435 0.31614 -0.03973 -0.04139 0.02559  108 LEU A CA  
875 C C   . LEU A 104 ? 0.25505 0.31418 0.34997 -0.03639 -0.03831 0.02237  108 LEU A C   
876 O O   . LEU A 104 ? 0.25106 0.31256 0.36067 -0.02703 -0.04475 0.01696  108 LEU A O   
877 C CB  . LEU A 104 ? 0.23608 0.30293 0.30302 -0.04191 -0.03363 0.01978  108 LEU A CB  
878 C CG  . LEU A 104 ? 0.27373 0.34741 0.32651 -0.04814 -0.03579 0.02138  108 LEU A CG  
879 C CD1 . LEU A 104 ? 0.29810 0.36603 0.34041 -0.05183 -0.02478 0.01525  108 LEU A CD1 
880 C CD2 . LEU A 104 ? 0.28709 0.35820 0.32446 -0.05877 -0.03966 0.02834  108 LEU A CD2 
881 N N   . THR A 105 ? 0.24622 0.29715 0.33994 -0.04444 -0.02837 0.02539  109 THR A N   
882 C CA  . THR A 105 ? 0.24196 0.29159 0.35939 -0.04237 -0.02339 0.02144  109 THR A CA  
883 C C   . THR A 105 ? 0.24699 0.29376 0.35970 -0.04692 -0.00745 0.01910  109 THR A C   
884 O O   . THR A 105 ? 0.25858 0.29949 0.34523 -0.05370 0.00059  0.02045  109 THR A O   
885 C CB  . THR A 105 ? 0.25945 0.30230 0.39158 -0.04647 -0.02293 0.02711  109 THR A CB  
886 O OG1 . THR A 105 ? 0.27154 0.30418 0.38242 -0.05670 -0.01256 0.03597  109 THR A OG1 
887 C CG2 . THR A 105 ? 0.24906 0.29113 0.38870 -0.03994 -0.03836 0.02800  109 THR A CG2 
888 N N   . TYR A 106 ? 0.24476 0.29529 0.38329 -0.04277 -0.00360 0.01493  110 TYR A N   
889 C CA  . TYR A 106 ? 0.24755 0.29498 0.38644 -0.04474 0.01334  0.01299  110 TYR A CA  
890 C C   . TYR A 106 ? 0.26385 0.31550 0.43866 -0.04504 0.02139  0.01351  110 TYR A C   
891 O O   . TYR A 106 ? 0.25939 0.31810 0.46131 -0.04274 0.01005  0.01319  110 TYR A O   
892 C CB  . TYR A 106 ? 0.23997 0.29015 0.37484 -0.03651 0.01082  0.00743  110 TYR A CB  
893 C CG  . TYR A 106 ? 0.24834 0.30850 0.41088 -0.02521 -0.00276 0.00367  110 TYR A CG  
894 C CD1 . TYR A 106 ? 0.25552 0.31908 0.41432 -0.01919 -0.02019 0.00158  110 TYR A CD1 
895 C CD2 . TYR A 106 ? 0.26188 0.32767 0.45465 -0.02069 0.00165  0.00223  110 TYR A CD2 
896 C CE1 . TYR A 106 ? 0.28256 0.35157 0.45926 -0.00938 -0.03455 -0.00296 110 TYR A CE1 
897 C CE2 . TYR A 106 ? 0.28441 0.35952 0.50083 -0.01089 -0.01498 -0.00113 110 TYR A CE2 
898 C CZ  . TYR A 106 ? 0.30400 0.37913 0.50923 -0.00586 -0.03371 -0.00414 110 TYR A CZ  
899 O OH  . TYR A 106 ? 0.30064 0.38159 0.52292 0.00333  -0.05217 -0.00860 110 TYR A OH  
900 N N   . SER A 107 ? 0.26167 0.30778 0.43693 -0.04901 0.04256  0.01410  111 SER A N   
901 C CA  . SER A 107 ? 0.28293 0.33627 0.49896 -0.04894 0.05372  0.01491  111 SER A CA  
902 C C   . SER A 107 ? 0.30987 0.35874 0.52649 -0.04676 0.07562  0.01248  111 SER A C   
903 O O   . SER A 107 ? 0.28414 0.32053 0.46512 -0.04727 0.08183  0.00990  111 SER A O   
904 C CB  . SER A 107 ? 0.36310 0.40957 0.58138 -0.05978 0.06424  0.02201  111 SER A CB  
905 O OG  . SER A 107 ? 0.48074 0.51063 0.66621 -0.06721 0.08769  0.02464  111 SER A OG  
906 N N   . GLY A 108 ? 0.33783 0.39633 0.59746 -0.04490 0.08831  0.01321  112 GLY A N   
907 C CA  . GLY A 108 ? 0.32478 0.37713 0.58938 -0.04285 0.11530  0.01179  112 GLY A CA  
908 C C   . GLY A 108 ? 0.39696 0.43552 0.64910 -0.05422 0.14300  0.01605  112 GLY A C   
909 O O   . GLY A 108 ? 0.38197 0.40854 0.60129 -0.06453 0.14123  0.02055  112 GLY A O   
910 N N   . GLU A 109 ? 0.39475 0.43380 0.67270 -0.05148 0.16998  0.01542  113 GLU A N   
911 C CA  . GLU A 109 ? 0.44637 0.47128 0.71430 -0.06148 0.20087  0.01960  113 GLU A CA  
912 C C   . GLU A 109 ? 0.40555 0.44999 0.72965 -0.06526 0.20195  0.02599  113 GLU A C   
913 O O   . GLU A 109 ? 0.50714 0.54193 0.83066 -0.07417 0.22848  0.03145  113 GLU A O   
914 C CB  . GLU A 109 ? 0.44888 0.46140 0.71481 -0.05661 0.23417  0.01504  113 GLU A CB  
915 C CG  . GLU A 109 ? 0.47840 0.45971 0.67302 -0.06028 0.24081  0.00893  113 GLU A CG  
916 C CD  . GLU A 109 ? 0.51458 0.47797 0.70316 -0.05490 0.27426  0.00241  113 GLU A CD  
917 O OE1 . GLU A 109 ? 0.52776 0.49897 0.75969 -0.05029 0.30040  0.00411  113 GLU A OE1 
918 O OE2 . GLU A 109 ? 0.54141 0.48180 0.68300 -0.05535 0.27547  -0.00495 113 GLU A OE2 
919 N N   . ASP B 1   ? 0.51768 0.67293 0.36633 -0.10947 -0.01855 -0.09495 1   ASP D N   
920 C CA  . ASP B 1   ? 0.49538 0.65414 0.32791 -0.09071 0.00877  -0.06079 1   ASP D CA  
921 C C   . ASP B 1   ? 0.48064 0.62583 0.32689 -0.09742 -0.00074 -0.03057 1   ASP D C   
922 O O   . ASP B 1   ? 0.50628 0.66448 0.35368 -0.11785 -0.02468 -0.02680 1   ASP D O   
923 C CB  . ASP B 1   ? 0.51230 0.72118 0.29301 -0.07367 0.02403  -0.04344 1   ASP D CB  
924 C CG  . ASP B 1   ? 0.54846 0.76901 0.30187 -0.06386 0.04721  -0.06282 1   ASP D CG  
925 O OD1 . ASP B 1   ? 0.54928 0.74069 0.32278 -0.06417 0.06706  -0.07878 1   ASP D OD1 
926 O OD2 . ASP B 1   ? 0.57905 0.84389 0.28920 -0.05645 0.04616  -0.06364 1   ASP D OD2 
927 N N   . TRP B 2   ? 0.45162 0.57824 0.30568 -0.08289 0.02087  -0.01122 2   TRP D N   
928 C CA  . TRP B 2   ? 0.45550 0.57143 0.32816 -0.08610 0.01679  0.01365  2   TRP D CA  
929 C C   . TRP B 2   ? 0.45148 0.60264 0.30105 -0.06831 0.03097  0.04336  2   TRP D C   
930 O O   . TRP B 2   ? 0.45277 0.60649 0.27571 -0.04722 0.05397  0.05187  2   TRP D O   
931 C CB  . TRP B 2   ? 0.45823 0.52908 0.36627 -0.08065 0.02802  0.00650  2   TRP D CB  
932 C CG  . TRP B 2   ? 0.46916 0.50179 0.40389 -0.09431 0.00231  -0.02044 2   TRP D CG  
933 C CD1 . TRP B 2   ? 0.48883 0.50724 0.43425 -0.09245 -0.00171 -0.05708 2   TRP D CD1 
934 C CD2 . TRP B 2   ? 0.46050 0.46050 0.41147 -0.11162 -0.02709 -0.01383 2   TRP D CD2 
935 N NE1 . TRP B 2   ? 0.49799 0.46946 0.46974 -0.10295 -0.03567 -0.07492 2   TRP D NE1 
936 C CE2 . TRP B 2   ? 0.50253 0.45754 0.47204 -0.11601 -0.05159 -0.04500 2   TRP D CE2 
937 C CE3 . TRP B 2   ? 0.42813 0.43318 0.37694 -0.12455 -0.03582 0.01452  2   TRP D CE3 
938 C CZ2 . TRP B 2   ? 0.52587 0.42815 0.50381 -0.13161 -0.08701 -0.04283 2   TRP D CZ2 
939 C CZ3 . TRP B 2   ? 0.45489 0.41551 0.40989 -0.14507 -0.06677 0.01659  2   TRP D CZ3 
940 C CH2 . TRP B 2   ? 0.49683 0.40042 0.46204 -0.14821 -0.09354 -0.00888 2   TRP D CH2 
941 N N   . GLU B 3   ? 0.38073 0.55733 0.23862 -0.07721 0.01655  0.05813  3   GLU D N   
942 C CA  . GLU B 3   ? 0.41804 0.62065 0.26925 -0.05539 0.02804  0.08071  3   GLU D CA  
943 C C   . GLU B 3   ? 0.41992 0.58418 0.29972 -0.04663 0.04751  0.08967  3   GLU D C   
944 O O   . GLU B 3   ? 0.41188 0.55508 0.32288 -0.06362 0.03950  0.08364  3   GLU D O   
945 C CB  . GLU B 3   ? 0.38089 0.63920 0.23766 -0.06879 0.00718  0.08373  3   GLU D CB  
946 C CG  . GLU B 3   ? 0.43510 0.74178 0.26618 -0.07512 -0.00930 0.07001  3   GLU D CG  
947 C CD  . GLU B 3   ? 0.50841 0.83198 0.30128 -0.03939 -0.00093 0.07529  3   GLU D CD  
948 O OE1 . GLU B 3   ? 0.52952 0.85951 0.32653 -0.01069 0.00252  0.08749  3   GLU D OE1 
949 O OE2 . GLU B 3   ? 0.50809 0.82553 0.27555 -0.03822 0.00041  0.06309  3   GLU D OE2 
950 N N   . ILE B 4   ? 0.37461 0.52689 0.24142 -0.02097 0.07164  0.10386  4   ILE D N   
951 C CA  . ILE B 4   ? 0.38838 0.50596 0.28418 -0.01350 0.09451  0.10845  4   ILE D CA  
952 C C   . ILE B 4   ? 0.41309 0.55428 0.32085 0.00163  0.09322  0.12539  4   ILE D C   
953 O O   . ILE B 4   ? 0.36884 0.52095 0.24872 0.02411  0.09158  0.13749  4   ILE D O   
954 C CB  . ILE B 4   ? 0.41643 0.49506 0.29070 -0.00212 0.12746  0.10934  4   ILE D CB  
955 C CG1 . ILE B 4   ? 0.44928 0.51766 0.31639 -0.01624 0.12911  0.08386  4   ILE D CG1 
956 C CG2 . ILE B 4   ? 0.40938 0.45628 0.32101 0.00151  0.15102  0.10836  4   ILE D CG2 
957 C CD1 . ILE B 4   ? 0.43105 0.47950 0.34912 -0.03056 0.12423  0.05676  4   ILE D CD1 
958 N N   . VAL B 5   ? 0.34331 0.49031 0.29467 -0.00914 0.08888  0.12068  5   VAL D N   
959 C CA  . VAL B 5   ? 0.37912 0.55713 0.35259 0.00252  0.08568  0.12726  5   VAL D CA  
960 C C   . VAL B 5   ? 0.41129 0.54947 0.40800 0.02014  0.10872  0.12675  5   VAL D C   
961 O O   . VAL B 5   ? 0.39803 0.49343 0.40802 0.01398  0.12413  0.11488  5   VAL D O   
962 C CB  . VAL B 5   ? 0.38105 0.59613 0.38234 -0.02391 0.06457  0.11860  5   VAL D CB  
963 C CG1 . VAL B 5   ? 0.40788 0.65832 0.43981 -0.01255 0.06263  0.11578  5   VAL D CG1 
964 C CG2 . VAL B 5   ? 0.38229 0.63668 0.35744 -0.04501 0.04132  0.11643  5   VAL D CG2 
965 O OXT . VAL B 5   ? 0.47479 0.62773 0.47843 0.04142  0.11211  0.13635  5   VAL D OXT 
# 
