data_8VUK
# 
_entry.id   8VUK 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.401 
_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   8VUK         pdb_00008vuk 10.2210/pdb8vuk/pdb 
WWPDB D_1000281222 ?            ?                   
# 
_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       2025-01-22 
# 
_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                        8VUK 
_pdbx_database_status.recvd_initial_deposition_date   2024-01-29 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              garciab@ksu.edu 
_pdbx_contact_author.name_first         Brandon 
_pdbx_contact_author.name_last          Garcia 
_pdbx_contact_author.name_mi            L 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-6724-8700 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Roy, S.'      1 0000-0001-5354-3824 
'Garcia, B.L.' 2 0000-0002-6724-8700 
# 
_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                     
'Crystal structures of FtrA and FtrB of the Brucella abortus ferrous iron transporter FtrABCD system' 
_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 'Roy, S.'      1 ?                   
primary 'Kerkan, A.'   2 ?                   
primary 'Martin, D.W.' 3 ?                   
primary 'Banerjee, S.' 4 ?                   
primary 'Garcia, B.L.' 5 0000-0002-6724-8700 
# 
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 'EfeO-type cupredoxin-like domain-containing protein' 10204.577 1   ? ? ? ? 
2 non-polymer syn 'MANGANESE (II) ION'                                  54.938    2   ? ? ? ? 
3 water       nat water                                                 18.015    129 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        FtrB 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;WAEEPTFRLEFKDGVITPDRLEVPANTRFRIELVNTGSMPAEFESLELRKEKVIAAQSETVMVIRTLDPGEYPFFDDFHP
GGTPAILIAK
;
_entity_poly.pdbx_seq_one_letter_code_can   
;WAEEPTFRLEFKDGVITPDRLEVPANTRFRIELVNTGSMPAEFESLELRKEKVIAAQSETVMVIRTLDPGEYPFFDDFHP
GGTPAILIAK
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'MANGANESE (II) ION' MN  
3 water                HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1  TRP n 
1 2  ALA n 
1 3  GLU n 
1 4  GLU n 
1 5  PRO n 
1 6  THR n 
1 7  PHE n 
1 8  ARG n 
1 9  LEU n 
1 10 GLU n 
1 11 PHE n 
1 12 LYS n 
1 13 ASP n 
1 14 GLY n 
1 15 VAL n 
1 16 ILE n 
1 17 THR n 
1 18 PRO n 
1 19 ASP n 
1 20 ARG n 
1 21 LEU n 
1 22 GLU n 
1 23 VAL n 
1 24 PRO n 
1 25 ALA n 
1 26 ASN n 
1 27 THR n 
1 28 ARG n 
1 29 PHE n 
1 30 ARG n 
1 31 ILE n 
1 32 GLU n 
1 33 LEU n 
1 34 VAL n 
1 35 ASN n 
1 36 THR n 
1 37 GLY n 
1 38 SER n 
1 39 MET n 
1 40 PRO n 
1 41 ALA n 
1 42 GLU n 
1 43 PHE n 
1 44 GLU n 
1 45 SER n 
1 46 LEU n 
1 47 GLU n 
1 48 LEU n 
1 49 ARG n 
1 50 LYS n 
1 51 GLU n 
1 52 LYS n 
1 53 VAL n 
1 54 ILE n 
1 55 ALA n 
1 56 ALA n 
1 57 GLN n 
1 58 SER n 
1 59 GLU n 
1 60 THR n 
1 61 VAL n 
1 62 MET n 
1 63 VAL n 
1 64 ILE n 
1 65 ARG n 
1 66 THR n 
1 67 LEU n 
1 68 ASP n 
1 69 PRO n 
1 70 GLY n 
1 71 GLU n 
1 72 TYR n 
1 73 PRO n 
1 74 PHE n 
1 75 PHE n 
1 76 ASP n 
1 77 ASP n 
1 78 PHE n 
1 79 HIS n 
1 80 PRO n 
1 81 GLY n 
1 82 GLY n 
1 83 THR n 
1 84 PRO n 
1 85 ALA n 
1 86 ILE n 
1 87 LEU n 
1 88 ILE n 
1 89 ALA n 
1 90 LYS 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                   90 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 BAbS19_II07770 
_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      'Brucella abortus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     235 
_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' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
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 
MN  non-polymer         . 'MANGANESE (II) ION' ? 'Mn 2'           54.938  
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  TRP 1  43  ?   ?   ?   A . n 
A 1 2  ALA 2  44  44  ALA ALA A . n 
A 1 3  GLU 3  45  45  GLU GLU A . n 
A 1 4  GLU 4  46  46  GLU GLU A . n 
A 1 5  PRO 5  47  47  PRO PRO A . n 
A 1 6  THR 6  48  48  THR THR A . n 
A 1 7  PHE 7  49  49  PHE PHE A . n 
A 1 8  ARG 8  50  50  ARG ARG A . n 
A 1 9  LEU 9  51  51  LEU LEU A . n 
A 1 10 GLU 10 52  52  GLU GLU A . n 
A 1 11 PHE 11 53  53  PHE PHE A . n 
A 1 12 LYS 12 54  54  LYS LYS A . n 
A 1 13 ASP 13 55  55  ASP ASP A . n 
A 1 14 GLY 14 56  56  GLY GLY A . n 
A 1 15 VAL 15 57  57  VAL VAL A . n 
A 1 16 ILE 16 58  58  ILE ILE A . n 
A 1 17 THR 17 59  59  THR THR A . n 
A 1 18 PRO 18 60  60  PRO PRO A . n 
A 1 19 ASP 19 61  61  ASP ASP A . n 
A 1 20 ARG 20 62  62  ARG ARG A . n 
A 1 21 LEU 21 63  63  LEU LEU A . n 
A 1 22 GLU 22 64  64  GLU GLU A . n 
A 1 23 VAL 23 65  65  VAL VAL A . n 
A 1 24 PRO 24 66  66  PRO PRO A . n 
A 1 25 ALA 25 67  67  ALA ALA A . n 
A 1 26 ASN 26 68  68  ASN ASN A . n 
A 1 27 THR 27 69  69  THR THR A . n 
A 1 28 ARG 28 70  70  ARG ARG A . n 
A 1 29 PHE 29 71  71  PHE PHE A . n 
A 1 30 ARG 30 72  72  ARG ARG A . n 
A 1 31 ILE 31 73  73  ILE ILE A . n 
A 1 32 GLU 32 74  74  GLU GLU A . n 
A 1 33 LEU 33 75  75  LEU LEU A . n 
A 1 34 VAL 34 76  76  VAL VAL A . n 
A 1 35 ASN 35 77  77  ASN ASN A . n 
A 1 36 THR 36 78  78  THR THR A . n 
A 1 37 GLY 37 79  79  GLY GLY A . n 
A 1 38 SER 38 80  80  SER SER A . n 
A 1 39 MET 39 81  81  MET MET A . n 
A 1 40 PRO 40 82  82  PRO PRO A . n 
A 1 41 ALA 41 83  83  ALA ALA A . n 
A 1 42 GLU 42 84  84  GLU GLU A . n 
A 1 43 PHE 43 85  85  PHE PHE A . n 
A 1 44 GLU 44 86  86  GLU GLU A . n 
A 1 45 SER 45 87  87  SER SER A . n 
A 1 46 LEU 46 88  88  LEU LEU A . n 
A 1 47 GLU 47 89  89  GLU GLU A . n 
A 1 48 LEU 48 90  90  LEU LEU A . n 
A 1 49 ARG 49 91  91  ARG ARG A . n 
A 1 50 LYS 50 92  92  LYS LYS A . n 
A 1 51 GLU 51 93  93  GLU GLU A . n 
A 1 52 LYS 52 94  94  LYS LYS A . n 
A 1 53 VAL 53 95  95  VAL VAL A . n 
A 1 54 ILE 54 96  96  ILE ILE A . n 
A 1 55 ALA 55 97  97  ALA ALA A . n 
A 1 56 ALA 56 98  98  ALA ALA A . n 
A 1 57 GLN 57 99  99  GLN GLN A . n 
A 1 58 SER 58 100 100 SER SER A . n 
A 1 59 GLU 59 101 101 GLU GLU A . n 
A 1 60 THR 60 102 102 THR THR A . n 
A 1 61 VAL 61 103 103 VAL VAL A . n 
A 1 62 MET 62 104 104 MET MET A . n 
A 1 63 VAL 63 105 105 VAL VAL A . n 
A 1 64 ILE 64 106 106 ILE ILE A . n 
A 1 65 ARG 65 107 107 ARG ARG A . n 
A 1 66 THR 66 108 108 THR THR A . n 
A 1 67 LEU 67 109 109 LEU LEU A . n 
A 1 68 ASP 68 110 110 ASP ASP A . n 
A 1 69 PRO 69 111 111 PRO PRO A . n 
A 1 70 GLY 70 112 112 GLY GLY A . n 
A 1 71 GLU 71 113 113 GLU GLU A . n 
A 1 72 TYR 72 114 114 TYR TYR A . n 
A 1 73 PRO 73 115 115 PRO PRO A . n 
A 1 74 PHE 74 116 116 PHE PHE A . n 
A 1 75 PHE 75 117 117 PHE PHE A . n 
A 1 76 ASP 76 118 118 ASP ASP A . n 
A 1 77 ASP 77 119 119 ASP ASP A . n 
A 1 78 PHE 78 120 120 PHE PHE A . n 
A 1 79 HIS 79 121 121 HIS HIS A . n 
A 1 80 PRO 80 122 122 PRO PRO A . n 
A 1 81 GLY 81 123 123 GLY GLY A . n 
A 1 82 GLY 82 124 124 GLY GLY A . n 
A 1 83 THR 83 125 125 THR THR A . n 
A 1 84 PRO 84 126 126 PRO PRO A . n 
A 1 85 ALA 85 127 127 ALA ALA A . n 
A 1 86 ILE 86 128 128 ILE ILE A . n 
A 1 87 LEU 87 129 129 LEU LEU A . n 
A 1 88 ILE 88 130 130 ILE ILE A . n 
A 1 89 ALA 89 131 131 ALA ALA A . n 
A 1 90 LYS 90 132 132 LYS LYS A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        MN 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   MN 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 MN  1   201 1   MN  MN  A . 
C 2 MN  1   202 2   MN  MN  A . 
D 3 HOH 1   301 82  HOH HOH A . 
D 3 HOH 2   302 25  HOH HOH A . 
D 3 HOH 3   303 42  HOH HOH A . 
D 3 HOH 4   304 78  HOH HOH A . 
D 3 HOH 5   305 124 HOH HOH A . 
D 3 HOH 6   306 105 HOH HOH A . 
D 3 HOH 7   307 46  HOH HOH A . 
D 3 HOH 8   308 48  HOH HOH A . 
D 3 HOH 9   309 107 HOH HOH A . 
D 3 HOH 10  310 56  HOH HOH A . 
D 3 HOH 11  311 118 HOH HOH A . 
D 3 HOH 12  312 97  HOH HOH A . 
D 3 HOH 13  313 98  HOH HOH A . 
D 3 HOH 14  314 119 HOH HOH A . 
D 3 HOH 15  315 102 HOH HOH A . 
D 3 HOH 16  316 76  HOH HOH A . 
D 3 HOH 17  317 64  HOH HOH A . 
D 3 HOH 18  318 125 HOH HOH A . 
D 3 HOH 19  319 79  HOH HOH A . 
D 3 HOH 20  320 30  HOH HOH A . 
D 3 HOH 21  321 50  HOH HOH A . 
D 3 HOH 22  322 2   HOH HOH A . 
D 3 HOH 23  323 34  HOH HOH A . 
D 3 HOH 24  324 33  HOH HOH A . 
D 3 HOH 25  325 36  HOH HOH A . 
D 3 HOH 26  326 45  HOH HOH A . 
D 3 HOH 27  327 3   HOH HOH A . 
D 3 HOH 28  328 17  HOH HOH A . 
D 3 HOH 29  329 26  HOH HOH A . 
D 3 HOH 30  330 8   HOH HOH A . 
D 3 HOH 31  331 57  HOH HOH A . 
D 3 HOH 32  332 22  HOH HOH A . 
D 3 HOH 33  333 65  HOH HOH A . 
D 3 HOH 34  334 83  HOH HOH A . 
D 3 HOH 35  335 108 HOH HOH A . 
D 3 HOH 36  336 9   HOH HOH A . 
D 3 HOH 37  337 39  HOH HOH A . 
D 3 HOH 38  338 5   HOH HOH A . 
D 3 HOH 39  339 15  HOH HOH A . 
D 3 HOH 40  340 92  HOH HOH A . 
D 3 HOH 41  341 13  HOH HOH A . 
D 3 HOH 42  342 110 HOH HOH A . 
D 3 HOH 43  343 10  HOH HOH A . 
D 3 HOH 44  344 18  HOH HOH A . 
D 3 HOH 45  345 7   HOH HOH A . 
D 3 HOH 46  346 58  HOH HOH A . 
D 3 HOH 47  347 88  HOH HOH A . 
D 3 HOH 48  348 12  HOH HOH A . 
D 3 HOH 49  349 81  HOH HOH A . 
D 3 HOH 50  350 127 HOH HOH A . 
D 3 HOH 51  351 41  HOH HOH A . 
D 3 HOH 52  352 6   HOH HOH A . 
D 3 HOH 53  353 62  HOH HOH A . 
D 3 HOH 54  354 69  HOH HOH A . 
D 3 HOH 55  355 54  HOH HOH A . 
D 3 HOH 56  356 84  HOH HOH A . 
D 3 HOH 57  357 68  HOH HOH A . 
D 3 HOH 58  358 14  HOH HOH A . 
D 3 HOH 59  359 51  HOH HOH A . 
D 3 HOH 60  360 66  HOH HOH A . 
D 3 HOH 61  361 20  HOH HOH A . 
D 3 HOH 62  362 73  HOH HOH A . 
D 3 HOH 63  363 80  HOH HOH A . 
D 3 HOH 64  364 74  HOH HOH A . 
D 3 HOH 65  365 11  HOH HOH A . 
D 3 HOH 66  366 31  HOH HOH A . 
D 3 HOH 67  367 38  HOH HOH A . 
D 3 HOH 68  368 113 HOH HOH A . 
D 3 HOH 69  369 40  HOH HOH A . 
D 3 HOH 70  370 21  HOH HOH A . 
D 3 HOH 71  371 72  HOH HOH A . 
D 3 HOH 72  372 47  HOH HOH A . 
D 3 HOH 73  373 27  HOH HOH A . 
D 3 HOH 74  374 28  HOH HOH A . 
D 3 HOH 75  375 35  HOH HOH A . 
D 3 HOH 76  376 49  HOH HOH A . 
D 3 HOH 77  377 19  HOH HOH A . 
D 3 HOH 78  378 129 HOH HOH A . 
D 3 HOH 79  379 4   HOH HOH A . 
D 3 HOH 80  380 63  HOH HOH A . 
D 3 HOH 81  381 29  HOH HOH A . 
D 3 HOH 82  382 44  HOH HOH A . 
D 3 HOH 83  383 100 HOH HOH A . 
D 3 HOH 84  384 32  HOH HOH A . 
D 3 HOH 85  385 75  HOH HOH A . 
D 3 HOH 86  386 1   HOH HOH A . 
D 3 HOH 87  387 77  HOH HOH A . 
D 3 HOH 88  388 94  HOH HOH A . 
D 3 HOH 89  389 70  HOH HOH A . 
D 3 HOH 90  390 116 HOH HOH A . 
D 3 HOH 91  391 121 HOH HOH A . 
D 3 HOH 92  392 37  HOH HOH A . 
D 3 HOH 93  393 103 HOH HOH A . 
D 3 HOH 94  394 60  HOH HOH A . 
D 3 HOH 95  395 135 HOH HOH A . 
D 3 HOH 96  396 109 HOH HOH A . 
D 3 HOH 97  397 112 HOH HOH A . 
D 3 HOH 98  398 67  HOH HOH A . 
D 3 HOH 99  399 101 HOH HOH A . 
D 3 HOH 100 400 93  HOH HOH A . 
D 3 HOH 101 401 52  HOH HOH A . 
D 3 HOH 102 402 106 HOH HOH A . 
D 3 HOH 103 403 16  HOH HOH A . 
D 3 HOH 104 404 71  HOH HOH A . 
D 3 HOH 105 405 99  HOH HOH A . 
D 3 HOH 106 406 55  HOH HOH A . 
D 3 HOH 107 407 117 HOH HOH A . 
D 3 HOH 108 408 96  HOH HOH A . 
D 3 HOH 109 409 59  HOH HOH A . 
D 3 HOH 110 410 85  HOH HOH A . 
D 3 HOH 111 411 111 HOH HOH A . 
D 3 HOH 112 412 87  HOH HOH A . 
D 3 HOH 113 413 128 HOH HOH A . 
D 3 HOH 114 414 91  HOH HOH A . 
D 3 HOH 115 415 95  HOH HOH A . 
D 3 HOH 116 416 61  HOH HOH A . 
D 3 HOH 117 417 90  HOH HOH A . 
D 3 HOH 118 418 86  HOH HOH A . 
D 3 HOH 119 419 43  HOH HOH A . 
D 3 HOH 120 420 114 HOH HOH A . 
D 3 HOH 121 421 89  HOH HOH A . 
D 3 HOH 122 422 24  HOH HOH A . 
D 3 HOH 123 423 120 HOH HOH A . 
D 3 HOH 124 424 115 HOH HOH A . 
D 3 HOH 125 425 134 HOH HOH A . 
D 3 HOH 126 426 53  HOH HOH A . 
D 3 HOH 127 427 23  HOH HOH A . 
D 3 HOH 128 428 132 HOH HOH A . 
D 3 HOH 129 429 123 HOH HOH A . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? 1.20.1_4487 1 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX   ? ? ? 1.20.1_4487 2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .           3 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? .           4 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .           5 
# 
_cell.angle_alpha                  83.410 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   69.640 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  71.810 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8VUK 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     25.811 
_cell.length_a_esd                 ? 
_cell.length_b                     27.033 
_cell.length_b_esd                 ? 
_cell.length_c                     30.821 
_cell.length_c_esd                 ? 
_cell.volume                       19153.762 
_cell.volume_esd                   ? 
_cell.Z_PDB                        1 
_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                         8VUK 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                1 
_symmetry.space_group_name_Hall            'P 1' 
_symmetry.space_group_name_H-M             'P 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   8VUK 
_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             1.88 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          34.47 
_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              4.6 
_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    
'0.1 M sodium acetate, pH 4.6, 20% v/v PEG3350, supplemented with 20 mM manganese chloride, 20 mM copper(II) sulfate' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     93 
_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                     CCD 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'MARMOSAIC 300 mm CCD' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2021-10-21 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1.0 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'APS BEAMLINE 22-BM' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        1.0 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   22-BM 
_diffrn_source.pdbx_synchrotron_site       APS 
# 
_reflns.B_iso_Wilson_estimate                          13.23 
_reflns.entry_id                                       8VUK 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.30 
_reflns.d_resolution_low                               28.89 
_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                                     17306 
_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                           94.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                3.7 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          10.9 
_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                                0.115 
_reflns.pdbx_Rpim_I_all                                0.060 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.962 
_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                        ? 
# 
loop_
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_measured_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.number_unique_obs 
_reflns_shell.percent_possible_obs 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.meanI_over_sigI_gt 
_reflns_shell.meanI_over_uI_all 
_reflns_shell.meanI_over_uI_gt 
_reflns_shell.number_measured_gt 
_reflns_shell.number_unique_gt 
_reflns_shell.percent_possible_gt 
_reflns_shell.Rmerge_F_gt 
_reflns_shell.Rmerge_I_gt 
_reflns_shell.pdbx_redundancy 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_netI_over_sigmaI_all 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_rejects 
_reflns_shell.pdbx_ordinal 
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_CC_half 
_reflns_shell.pdbx_CC_star 
_reflns_shell.pdbx_R_split 
_reflns_shell.percent_possible_all 
_reflns_shell.Rmerge_I_all 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_percent_possible_ellipsoidal 
_reflns_shell.pdbx_percent_possible_spherical 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous 
_reflns_shell.pdbx_percent_possible_spherical_anomalous 
_reflns_shell.pdbx_redundancy_anomalous 
_reflns_shell.pdbx_CC_half_anomalous 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous 
_reflns_shell.pdbx_percent_possible_anomalous 
2.80 28.89 ? 10.5 ? ? ? ? 1727 ? ? ? ? ? ? ? ? ? ? ? 3.7 ? ? ? 0.110 0.058 ? 1  1 0.962 ? ? 95.4 ? ? ? ? ? ? ? ? ? ? ? 
2.22 2.80  ? ?    ? ? ? ? 1815 ? ? ? ? ? ? ? ? ? ? ? 4.0 ? ? ? 0.110 0.055 ? 2  1 0.985 ? ? 98.2 ? ? ? ? ? ? ? ? ? ? ? 
1.94 2.22  ? ?    ? ? ? ? 1728 ? ? ? ? ? ? ? ? ? ? ? 3.9 ? ? ? 0.112 0.056 ? 3  1 0.987 ? ? 96.8 ? ? ? ? ? ? ? ? ? ? ? 
1.76 1.94  ? ?    ? ? ? ? 1800 ? ? ? ? ? ? ? ? ? ? ? 3.9 ? ? ? 0.121 0.061 ? 4  1 0.983 ? ? 96.5 ? ? ? ? ? ? ? ? ? ? ? 
1.64 1.76  ? ?    ? ? ? ? 1722 ? ? ? ? ? ? ? ? ? ? ? 3.9 ? ? ? 0.133 0.067 ? 5  1 0.982 ? ? 94.9 ? ? ? ? ? ? ? ? ? ? ? 
1.54 1.64  ? ?    ? ? ? ? 1731 ? ? ? ? ? ? ? ? ? ? ? 4.0 ? ? ? 0.146 0.073 ? 6  1 0.981 ? ? 94.9 ? ? ? ? ? ? ? ? ? ? ? 
1.46 1.54  ? ?    ? ? ? ? 1743 ? ? ? ? ? ? ? ? ? ? ? 3.9 ? ? ? 0.178 0.089 ? 7  1 0.978 ? ? 94.5 ? ? ? ? ? ? ? ? ? ? ? 
1.40 1.46  ? ?    ? ? ? ? 1675 ? ? ? ? ? ? ? ? ? ? ? 3.7 ? ? ? 0.210 0.107 ? 8  1 0.973 ? ? 93.6 ? ? ? ? ? ? ? ? ? ? ? 
1.35 1.40  ? ?    ? ? ? ? 1692 ? ? ? ? ? ? ? ? ? ? ? 3.3 ? ? ? 0.241 0.127 ? 9  1 0.956 ? ? 93.0 ? ? ? ? ? ? ? ? ? ? ? 
1.30 1.35  ? ?    ? ? ? ? 1673 ? ? ? ? ? ? ? ? ? ? ? 2.5 ? ? ? 0.277 0.159 ? 10 1 0.937 ? ? 90.9 ? ? ? ? ? ? ? ? ? ? ? 
# 
_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                               18.66 
_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                                 8VUK 
_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                            1.30 
_refine.ls_d_res_low                             28.89 
_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                     17291 
_refine.ls_number_reflns_R_free                  1726 
_refine.ls_number_reflns_R_work                  15565 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    94.67 
_refine.ls_percent_reflns_R_free                 9.98 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1812 
_refine.ls_R_factor_R_free                       0.1975 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1795 
_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                          2.05 
_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             1.1000 
_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                 22.3751 
_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                            0.1100 
_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                       1.30 
_refine_hist.d_res_low                        28.89 
_refine_hist.number_atoms_solvent             129 
_refine_hist.number_atoms_total               837 
_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        706 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         2 
_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' ? 0.0159  ? 728 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.4450  ? 989 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.1113  ? 111 ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0120  ? 132 ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 14.0962 ? 281 ? 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' 1.30 1.34  . . 135 1198 87.99 . . . . 0.2326 . . . . . . . . . . . 0.2602 
'X-RAY DIFFRACTION' 1.34 1.38  . . 130 1273 92.67 . . . . 0.2106 . . . . . . . . . . . 0.2437 
'X-RAY DIFFRACTION' 1.38 1.43  . . 148 1303 93.67 . . . . 0.2102 . . . . . . . . . . . 0.2628 
'X-RAY DIFFRACTION' 1.43 1.49  . . 151 1282 93.78 . . . . 0.1918 . . . . . . . . . . . 0.2385 
'X-RAY DIFFRACTION' 1.49 1.56  . . 141 1287 94.63 . . . . 0.1863 . . . . . . . . . . . 0.2168 
'X-RAY DIFFRACTION' 1.56 1.64  . . 154 1284 95.04 . . . . 0.1762 . . . . . . . . . . . 0.2007 
'X-RAY DIFFRACTION' 1.64 1.74  . . 139 1307 95.38 . . . . 0.1701 . . . . . . . . . . . 0.1593 
'X-RAY DIFFRACTION' 1.74 1.87  . . 145 1328 96.27 . . . . 0.1723 . . . . . . . . . . . 0.2199 
'X-RAY DIFFRACTION' 1.87 2.06  . . 147 1332 96.41 . . . . 0.1606 . . . . . . . . . . . 0.1934 
'X-RAY DIFFRACTION' 2.06 2.36  . . 145 1328 97.55 . . . . 0.1691 . . . . . . . . . . . 0.1828 
'X-RAY DIFFRACTION' 2.36 2.97  . . 150 1350 98.30 . . . . 0.1768 . . . . . . . . . . . 0.1862 
'X-RAY DIFFRACTION' 2.98 28.89 . . 141 1293 94.47 . . . . 0.1845 . . . . . . . . . . . 0.1910 
# 
_struct.entry_id                     8VUK 
_struct.title                        'The crystal structure of Brucella abortus FtrB at 1.3 Angstrom resolution' 
_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        8VUK 
_struct_keywords.text            'Brucella abortus, iron transport, FtrABCD, METAL BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'METAL 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 2 ? 
D N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    A0A0F6AV93_BRUA1 
_struct_ref.pdbx_db_accession          A0A0F6AV93 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;WAEEPTFRLEFKDGVITPDRLEVPANTRFRIELVNTGSMPAEFESLELRKEKVIAAQSETVMVIRTLDPGEYPFFDDFHP
GGTPAILIAK
;
_struct_ref.pdbx_align_begin           43 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8VUK 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 90 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             A0A0F6AV93 
_struct_ref_seq.db_align_beg                  43 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  132 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       43 
_struct_ref_seq.pdbx_auth_seq_align_end       132 
# 
_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   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
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)' 220  ? 
1 MORE         -8   ? 
1 'SSA (A^2)'  5180 ? 
# 
_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_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_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
metalc1  metalc ? ? A GLU 42 OE1 ? ? ? 1_555 B MN  . MN ? ? A GLU 84  A MN  201 1_555 ? ? ? ? ? ? ? 2.151 ? ? 
metalc2  metalc ? ? A GLU 44 OE1 ? ? ? 1_555 B MN  . MN ? ? A GLU 86  A MN  201 1_555 ? ? ? ? ? ? ? 2.177 ? ? 
metalc3  metalc ? ? A ASP 77 OD2 ? ? ? 1_555 B MN  . MN ? ? A ASP 119 A MN  201 1_555 ? ? ? ? ? ? ? 2.021 ? ? 
metalc4  metalc ? ? A ASP 77 OD1 ? ? ? 1_555 C MN  . MN ? ? A ASP 119 A MN  202 1_555 ? ? ? ? ? ? ? 2.138 ? ? 
metalc5  metalc ? ? B MN  .  MN  ? ? ? 1_555 D HOH . O  ? ? A MN  201 A HOH 304 1_555 ? ? ? ? ? ? ? 2.116 ? ? 
metalc6  metalc ? ? B MN  .  MN  ? ? ? 1_555 D HOH . O  ? ? A MN  201 A HOH 339 1_556 ? ? ? ? ? ? ? 2.195 ? ? 
metalc7  metalc ? ? B MN  .  MN  ? ? ? 1_555 D HOH . O  ? ? A MN  201 A HOH 363 1_555 ? ? ? ? ? ? ? 2.158 ? ? 
metalc8  metalc ? ? C MN  .  MN  ? ? ? 1_555 D HOH . O  ? ? A MN  202 A HOH 319 1_556 ? ? ? ? ? ? ? 1.993 ? ? 
metalc9  metalc ? ? C MN  .  MN  ? ? ? 1_555 D HOH . O  ? ? A MN  202 A HOH 334 1_556 ? ? ? ? ? ? ? 2.230 ? ? 
metalc10 metalc ? ? C MN  .  MN  ? ? ? 1_555 D HOH . O  ? ? A MN  202 A HOH 343 1_556 ? ? ? ? ? ? ? 2.190 ? ? 
metalc11 metalc ? ? C MN  .  MN  ? ? ? 1_555 D HOH . O  ? ? A MN  202 A HOH 370 1_555 ? ? ? ? ? ? ? 2.206 ? ? 
metalc12 metalc ? ? C MN  .  MN  ? ? ? 1_555 D HOH . O  ? ? A MN  202 A HOH 406 1_556 ? ? ? ? ? ? ? 2.289 ? ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  OE1 ? A GLU 42 ? A GLU 84  ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 OE1 ? A GLU 44 ? A GLU 86  ? 1_555 84.5  ? 
2  OE1 ? A GLU 42 ? A GLU 84  ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 OD2 ? A ASP 77 ? A ASP 119 ? 1_555 96.9  ? 
3  OE1 ? A GLU 44 ? A GLU 86  ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 OD2 ? A ASP 77 ? A ASP 119 ? 1_555 85.7  ? 
4  OE1 ? A GLU 42 ? A GLU 84  ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O   ? D HOH .  ? A HOH 304 ? 1_555 93.8  ? 
5  OE1 ? A GLU 44 ? A GLU 86  ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O   ? D HOH .  ? A HOH 304 ? 1_555 93.5  ? 
6  OD2 ? A ASP 77 ? A ASP 119 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O   ? D HOH .  ? A HOH 304 ? 1_555 169.1 ? 
7  OE1 ? A GLU 42 ? A GLU 84  ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O   ? D HOH .  ? A HOH 339 ? 1_556 95.9  ? 
8  OE1 ? A GLU 44 ? A GLU 86  ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O   ? D HOH .  ? A HOH 339 ? 1_556 175.5 ? 
9  OD2 ? A ASP 77 ? A ASP 119 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O   ? D HOH .  ? A HOH 339 ? 1_556 89.8  ? 
10 O   ? D HOH .  ? A HOH 304 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O   ? D HOH .  ? A HOH 339 ? 1_556 90.9  ? 
11 OE1 ? A GLU 42 ? A GLU 84  ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O   ? D HOH .  ? A HOH 363 ? 1_555 170.5 ? 
12 OE1 ? A GLU 44 ? A GLU 86  ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O   ? D HOH .  ? A HOH 363 ? 1_555 87.6  ? 
13 OD2 ? A ASP 77 ? A ASP 119 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O   ? D HOH .  ? A HOH 363 ? 1_555 87.8  ? 
14 O   ? D HOH .  ? A HOH 304 ? 1_555 MN ? B MN . ? A MN 201 ? 1_555 O   ? D HOH .  ? A HOH 363 ? 1_555 81.3  ? 
15 O   ? D HOH .  ? A HOH 339 ? 1_556 MN ? B MN . ? A MN 201 ? 1_555 O   ? D HOH .  ? A HOH 363 ? 1_555 92.4  ? 
16 OD1 ? A ASP 77 ? A ASP 119 ? 1_555 MN ? C MN . ? A MN 202 ? 1_555 O   ? D HOH .  ? A HOH 319 ? 1_556 86.5  ? 
17 OD1 ? A ASP 77 ? A ASP 119 ? 1_555 MN ? C MN . ? A MN 202 ? 1_555 O   ? D HOH .  ? A HOH 334 ? 1_556 100.2 ? 
18 O   ? D HOH .  ? A HOH 319 ? 1_556 MN ? C MN . ? A MN 202 ? 1_555 O   ? D HOH .  ? A HOH 334 ? 1_556 75.5  ? 
19 OD1 ? A ASP 77 ? A ASP 119 ? 1_555 MN ? C MN . ? A MN 202 ? 1_555 O   ? D HOH .  ? A HOH 343 ? 1_556 89.8  ? 
20 O   ? D HOH .  ? A HOH 319 ? 1_556 MN ? C MN . ? A MN 202 ? 1_555 O   ? D HOH .  ? A HOH 343 ? 1_556 94.0  ? 
21 O   ? D HOH .  ? A HOH 334 ? 1_556 MN ? C MN . ? A MN 202 ? 1_555 O   ? D HOH .  ? A HOH 343 ? 1_556 164.9 ? 
22 OD1 ? A ASP 77 ? A ASP 119 ? 1_555 MN ? C MN . ? A MN 202 ? 1_555 O   ? D HOH .  ? A HOH 370 ? 1_555 85.9  ? 
23 O   ? D HOH .  ? A HOH 319 ? 1_556 MN ? C MN . ? A MN 202 ? 1_555 O   ? D HOH .  ? A HOH 370 ? 1_555 167.5 ? 
24 O   ? D HOH .  ? A HOH 334 ? 1_556 MN ? C MN . ? A MN 202 ? 1_555 O   ? D HOH .  ? A HOH 370 ? 1_555 96.1  ? 
25 O   ? D HOH .  ? A HOH 343 ? 1_556 MN ? C MN . ? A MN 202 ? 1_555 O   ? D HOH .  ? A HOH 370 ? 1_555 95.9  ? 
26 OD1 ? A ASP 77 ? A ASP 119 ? 1_555 MN ? C MN . ? A MN 202 ? 1_555 O   ? D HOH .  ? A HOH 406 ? 1_556 169.5 ? 
27 O   ? D HOH .  ? A HOH 319 ? 1_556 MN ? C MN . ? A MN 202 ? 1_555 O   ? D HOH .  ? A HOH 406 ? 1_556 94.1  ? 
28 O   ? D HOH .  ? A HOH 334 ? 1_556 MN ? C MN . ? A MN 202 ? 1_555 O   ? D HOH .  ? A HOH 406 ? 1_556 90.1  ? 
29 O   ? D HOH .  ? A HOH 343 ? 1_556 MN ? C MN . ? A MN 202 ? 1_555 O   ? D HOH .  ? A HOH 406 ? 1_556 79.7  ? 
30 O   ? D HOH .  ? A HOH 370 ? 1_555 MN ? C MN . ? A MN 202 ? 1_555 O   ? D HOH .  ? A HOH 406 ? 1_556 95.2  ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          THR 
_struct_mon_prot_cis.label_seq_id           17 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           THR 
_struct_mon_prot_cis.auth_seq_id            59 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    18 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     60 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -9.26 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 4 ? 
AA2 ? 5 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? parallel      
AA1 3 4 ? anti-parallel 
AA2 1 2 ? parallel      
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 VAL A 15 ? THR A 17 ? VAL A 57  THR A 59  
AA1 2 THR A 6  ? LYS A 12 ? THR A 48  LYS A 54  
AA1 3 PHE A 29 ? ASN A 35 ? PHE A 71  ASN A 77  
AA1 4 SER A 58 ? ILE A 64 ? SER A 100 ILE A 106 
AA2 1 ARG A 20 ? PRO A 24 ? ARG A 62  PRO A 66  
AA2 2 ALA A 85 ? LYS A 90 ? ALA A 127 LYS A 132 
AA2 3 GLY A 70 ? ASP A 76 ? GLY A 112 ASP A 118 
AA2 4 ALA A 41 ? SER A 45 ? ALA A 83  SER A 87  
AA2 5 LYS A 50 ? ILE A 54 ? LYS A 92  ILE A 96  
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 O THR A 17 ? O THR A 59  N GLU A 10 ? N GLU A 52  
AA1 2 3 N PHE A 7  ? N PHE A 49  O GLU A 32 ? O GLU A 74  
AA1 3 4 N LEU A 33 ? N LEU A 75  O THR A 60 ? O THR A 102 
AA2 1 2 N LEU A 21 ? N LEU A 63  O ILE A 88 ? O ILE A 130 
AA2 2 3 O ALA A 89 ? O ALA A 131 N GLY A 70 ? N GLY A 112 
AA2 3 4 O PHE A 75 ? O PHE A 117 N GLU A 44 ? N GLU A 86  
AA2 4 5 N ALA A 41 ? N ALA A 83  O ILE A 54 ? O ILE A 96  
# 
_pdbx_entry_details.entry_id                   8VUK 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 O   A HOH 306 ? ? O A HOH 409 ? ? 1.57 
2 1 O   A HOH 303 ? ? O A HOH 392 ? ? 1.87 
3 1 OE1 A GLU 113 ? ? O A HOH 301 ? ? 1.90 
4 1 OD1 A ASP 55  ? ? O A HOH 302 ? ? 1.93 
5 1 O   A HOH 311 ? ? O A HOH 398 ? ? 1.93 
6 1 O   A HOH 354 ? ? O A HOH 389 ? ? 2.06 
7 1 O   A HOH 301 ? ? O A HOH 404 ? ? 2.07 
8 1 O   A HOH 355 ? ? O A HOH 389 ? ? 2.08 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O A HOH 393 ? ? 1_555 O A HOH 402 ? ? 1_545 1.83 
2 1 O A HOH 367 ? ? 1_555 O A HOH 382 ? ? 1_545 2.07 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    THR 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     108 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -176.60 
_pdbx_validate_torsion.psi             148.89 
# 
_space_group_symop.id              1 
_space_group_symop.operation_xyz   x,y,z 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      A 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       429 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.88 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
_pdbx_unobs_or_zero_occ_residues.id               1 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num    1 
_pdbx_unobs_or_zero_occ_residues.polymer_flag     Y 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag   1 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id     A 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id     TRP 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id      43 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code     ? 
_pdbx_unobs_or_zero_occ_residues.label_asym_id    A 
_pdbx_unobs_or_zero_occ_residues.label_comp_id    TRP 
_pdbx_unobs_or_zero_occ_residues.label_seq_id     1 
# 
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 
MN  MN   MN N N 236 
PHE N    N  N N 237 
PHE CA   C  N S 238 
PHE C    C  N N 239 
PHE O    O  N N 240 
PHE CB   C  N N 241 
PHE CG   C  Y N 242 
PHE CD1  C  Y N 243 
PHE CD2  C  Y N 244 
PHE CE1  C  Y N 245 
PHE CE2  C  Y N 246 
PHE CZ   C  Y N 247 
PHE OXT  O  N N 248 
PHE H    H  N N 249 
PHE H2   H  N N 250 
PHE HA   H  N N 251 
PHE HB2  H  N N 252 
PHE HB3  H  N N 253 
PHE HD1  H  N N 254 
PHE HD2  H  N N 255 
PHE HE1  H  N N 256 
PHE HE2  H  N N 257 
PHE HZ   H  N N 258 
PHE HXT  H  N N 259 
PRO N    N  N N 260 
PRO CA   C  N S 261 
PRO C    C  N N 262 
PRO O    O  N N 263 
PRO CB   C  N N 264 
PRO CG   C  N N 265 
PRO CD   C  N N 266 
PRO OXT  O  N N 267 
PRO H    H  N N 268 
PRO HA   H  N N 269 
PRO HB2  H  N N 270 
PRO HB3  H  N N 271 
PRO HG2  H  N N 272 
PRO HG3  H  N N 273 
PRO HD2  H  N N 274 
PRO HD3  H  N N 275 
PRO HXT  H  N N 276 
SER N    N  N N 277 
SER CA   C  N S 278 
SER C    C  N N 279 
SER O    O  N N 280 
SER CB   C  N N 281 
SER OG   O  N N 282 
SER OXT  O  N N 283 
SER H    H  N N 284 
SER H2   H  N N 285 
SER HA   H  N N 286 
SER HB2  H  N N 287 
SER HB3  H  N N 288 
SER HG   H  N N 289 
SER HXT  H  N N 290 
THR N    N  N N 291 
THR CA   C  N S 292 
THR C    C  N N 293 
THR O    O  N N 294 
THR CB   C  N R 295 
THR OG1  O  N N 296 
THR CG2  C  N N 297 
THR OXT  O  N N 298 
THR H    H  N N 299 
THR H2   H  N N 300 
THR HA   H  N N 301 
THR HB   H  N N 302 
THR HG1  H  N N 303 
THR HG21 H  N N 304 
THR HG22 H  N N 305 
THR HG23 H  N N 306 
THR HXT  H  N N 307 
TRP N    N  N N 308 
TRP CA   C  N S 309 
TRP C    C  N N 310 
TRP O    O  N N 311 
TRP CB   C  N N 312 
TRP CG   C  Y N 313 
TRP CD1  C  Y N 314 
TRP CD2  C  Y N 315 
TRP NE1  N  Y N 316 
TRP CE2  C  Y N 317 
TRP CE3  C  Y N 318 
TRP CZ2  C  Y N 319 
TRP CZ3  C  Y N 320 
TRP CH2  C  Y N 321 
TRP OXT  O  N N 322 
TRP H    H  N N 323 
TRP H2   H  N N 324 
TRP HA   H  N N 325 
TRP HB2  H  N N 326 
TRP HB3  H  N N 327 
TRP HD1  H  N N 328 
TRP HE1  H  N N 329 
TRP HE3  H  N N 330 
TRP HZ2  H  N N 331 
TRP HZ3  H  N N 332 
TRP HH2  H  N N 333 
TRP HXT  H  N N 334 
TYR N    N  N N 335 
TYR CA   C  N S 336 
TYR C    C  N N 337 
TYR O    O  N N 338 
TYR CB   C  N N 339 
TYR CG   C  Y N 340 
TYR CD1  C  Y N 341 
TYR CD2  C  Y N 342 
TYR CE1  C  Y N 343 
TYR CE2  C  Y N 344 
TYR CZ   C  Y N 345 
TYR OH   O  N N 346 
TYR OXT  O  N N 347 
TYR H    H  N N 348 
TYR H2   H  N N 349 
TYR HA   H  N N 350 
TYR HB2  H  N N 351 
TYR HB3  H  N N 352 
TYR HD1  H  N N 353 
TYR HD2  H  N N 354 
TYR HE1  H  N N 355 
TYR HE2  H  N N 356 
TYR HH   H  N N 357 
TYR HXT  H  N N 358 
VAL N    N  N N 359 
VAL CA   C  N S 360 
VAL C    C  N N 361 
VAL O    O  N N 362 
VAL CB   C  N N 363 
VAL CG1  C  N N 364 
VAL CG2  C  N N 365 
VAL OXT  O  N N 366 
VAL H    H  N N 367 
VAL H2   H  N N 368 
VAL HA   H  N N 369 
VAL HB   H  N N 370 
VAL HG11 H  N N 371 
VAL HG12 H  N N 372 
VAL HG13 H  N N 373 
VAL HG21 H  N N 374 
VAL HG22 H  N N 375 
VAL HG23 H  N N 376 
VAL HXT  H  N N 377 
# 
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   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'in silico model' 
_pdbx_initial_refinement_model.source_name      AlphaFold 
_pdbx_initial_refinement_model.accession_code   ? 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'P 1' 
_space_group.name_Hall        'P 1' 
_space_group.IT_number        1 
_space_group.crystal_system   triclinic 
_space_group.id               1 
# 
_atom_sites.entry_id                    8VUK 
_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]   0.038743 
_atom_sites.fract_transf_matrix[1][2]   -0.012731 
_atom_sites.fract_transf_matrix[1][3]   -0.014290 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.038938 
_atom_sites.fract_transf_matrix[2][3]   -0.000269 
_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]   0.034608 
_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.
;
? 
H  ? ? 0.51345  0.48472 ? ? 24.73122 6.32584  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
MN ? ? 20.23591 4.67902 ? ? 2.76514  44.01191 ? ? 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    . ALA A 1 2  ? -16.16200 -8.53100  -13.73800 1.000 23.45152 ? 44  ALA A N    1 
ATOM   2    C  CA   . ALA A 1 2  ? -15.35000 -7.42100  -13.14300 1.000 20.47819 ? 44  ALA A CA   1 
ATOM   3    C  C    . ALA A 1 2  ? -15.03000 -6.39600  -14.24400 1.000 17.48677 ? 44  ALA A C    1 
ATOM   4    O  O    . ALA A 1 2  ? -14.38000 -6.72400  -15.23700 1.000 17.65536 ? 44  ALA A O    1 
ATOM   5    C  CB   . ALA A 1 2  ? -14.04100 -7.95700  -12.56200 1.000 23.70909 ? 44  ALA A CB   1 
ATOM   6    H  H    . ALA A 1 2  ? -16.30700 -9.15600  -13.12100 1.000 28.15883 ? 44  ALA A H    1 
ATOM   7    H  HA   . ALA A 1 2  ? -15.84700 -7.00300  -12.42300 1.000 24.59083 ? 44  ALA A HA   1 
ATOM   8    H  HB1  . ALA A 1 2  ? -13.56100 -7.22700  -12.14100 1.000 28.46791 ? 44  ALA A HB1  1 
ATOM   9    H  HB2  . ALA A 1 2  ? -14.24400 -8.64200  -11.90600 1.000 28.46791 ? 44  ALA A HB2  1 
ATOM   10   H  HB3  . ALA A 1 2  ? -13.50800 -8.33400  -13.28000 1.000 28.46791 ? 44  ALA A HB3  1 
ATOM   11   N  N    . GLU A 1 3  ? -15.51400 -5.16600  -14.06900 1.000 16.18330 ? 45  GLU A N    1 
ATOM   12   C  CA   . GLU A 1 3  ? -15.25800 -4.10700  -15.04500 1.000 15.28132 ? 45  GLU A CA   1 
ATOM   13   C  C    . GLU A 1 3  ? -14.32400 -3.03100  -14.52600 1.000 17.18220 ? 45  GLU A C    1 
ATOM   14   O  O    . GLU A 1 3  ? -14.02600 -2.08000  -15.26800 1.000 18.77791 ? 45  GLU A O    1 
ATOM   15   C  CB   . GLU A 1 3  ? -16.57600 -3.49700  -15.52200 1.000 18.98782 ? 45  GLU A CB   1 
ATOM   16   C  CG   . GLU A 1 3  ? -17.43900 -4.54700  -16.20300 1.000 25.31757 ? 45  GLU A CG   1 
ATOM   17   C  CD   . GLU A 1 3  ? -18.31500 -3.99400  -17.31100 1.000 37.51973 ? 45  GLU A CD   1 
ATOM   18   O  OE1  . GLU A 1 3  ? -18.91800 -2.91800  -17.11400 1.000 42.00323 ? 45  GLU A OE1  1 
ATOM   19   O  OE2  . GLU A 1 3  ? -18.39400 -4.64100  -18.38000 1.000 44.34330 ? 45  GLU A OE2  1 
ATOM   20   H  H    . GLU A 1 3  ? -15.99100 -4.92200  -13.39600 1.000 19.43696 ? 45  GLU A H    1 
ATOM   21   H  HA   . GLU A 1 3  ? -14.82900 -4.49800  -15.82200 1.000 18.35459 ? 45  GLU A HA   1 
ATOM   22   H  HB2  . GLU A 1 3  ? -17.06200 -3.14300  -14.76100 1.000 22.80239 ? 45  GLU A HB2  1 
ATOM   23   H  HB3  . GLU A 1 3  ? -16.39200 -2.78700  -16.15800 1.000 22.80239 ? 45  GLU A HB3  1 
ATOM   24   H  HG2  . GLU A 1 3  ? -16.86000 -5.22100  -16.59300 1.000 30.39809 ? 45  GLU A HG2  1 
ATOM   25   H  HG3  . GLU A 1 3  ? -18.02000 -4.95100  -15.54000 1.000 30.39809 ? 45  GLU A HG3  1 
ATOM   26   N  N    . GLU A 1 4  ? -13.79500 -3.18900  -13.35900 1.000 15.91971 ? 46  GLU A N    1 
ATOM   27   C  CA   . GLU A 1 4  ? -12.83800 -2.32000  -12.72900 1.000 17.70145 ? 46  GLU A CA   1 
ATOM   28   C  C    . GLU A 1 4  ? -11.48000 -2.98000  -12.75000 1.000 14.40248 ? 46  GLU A C    1 
ATOM   29   O  O    . GLU A 1 4  ? -11.40300 -4.12700  -12.33800 1.000 15.94075 ? 46  GLU A O    1 
ATOM   30   C  CB   . GLU A 1 4  ? -13.31500 -2.20900  -11.25900 1.000 25.71478 ? 46  GLU A CB   1 
ATOM   31   C  CG   . GLU A 1 4  ? -13.12500 -0.95100  -10.60200 1.000 29.79484 ? 46  GLU A CG   1 
ATOM   32   C  CD   . GLU A 1 4  ? -14.23700 -0.75400  -9.59400  1.000 19.42682 ? 46  GLU A CD   1 
ATOM   33   O  OE1  . GLU A 1 4  ? -14.53000 -1.68900  -8.83800  1.000 26.00216 ? 46  GLU A OE1  1 
ATOM   34   O  OE2  . GLU A 1 4  ? -14.82400 0.35000   -9.61100  1.000 24.18469 ? 46  GLU A OE2  1 
ATOM   35   H  H    . GLU A 1 4  ? -13.98700 -3.85700  -12.85300 1.000 19.12065 ? 46  GLU A H    1 
ATOM   36   H  HA   . GLU A 1 4  ? -12.76200 -1.45600  -13.16300 1.000 21.25874 ? 46  GLU A HA   1 
ATOM   37   H  HB2  . GLU A 1 4  ? -14.26700 -2.39500  -11.24000 1.000 30.87473 ? 46  GLU A HB2  1 
ATOM   38   H  HB3  . GLU A 1 4  ? -12.83700 -2.87300  -10.73900 1.000 30.87473 ? 46  GLU A HB3  1 
ATOM   39   H  HG2  . GLU A 1 4  ? -12.27300 -0.94500  -10.13800 1.000 35.77081 ? 46  GLU A HG2  1 
ATOM   40   H  HG3  . GLU A 1 4  ? -13.15400 -0.23100  -11.25100 1.000 35.77081 ? 46  GLU A HG3  1 
ATOM   41   N  N    . PRO A 1 5  ? -10.41500 -2.31300  -13.10300 1.000 13.64079 ? 47  PRO A N    1 
ATOM   42   C  CA   . PRO A 1 5  ? -9.08900  -2.91900  -12.98400 1.000 14.63549 ? 47  PRO A CA   1 
ATOM   43   C  C    . PRO A 1 5  ? -8.76200  -3.23000  -11.52900 1.000 17.11676 ? 47  PRO A C    1 
ATOM   44   O  O    . PRO A 1 5  ? -9.08700  -2.45200  -10.63100 1.000 16.82243 ? 47  PRO A O    1 
ATOM   45   C  CB   . PRO A 1 5  ? -8.15000  -1.85500  -13.54600 1.000 19.25626 ? 47  PRO A CB   1 
ATOM   46   C  CG   . PRO A 1 5  ? -9.00600  -0.91700  -14.22400 1.000 17.39972 ? 47  PRO A CG   1 
ATOM   47   C  CD   . PRO A 1 5  ? -10.35900 -0.97400  -13.65400 1.000 15.13354 ? 47  PRO A CD   1 
ATOM   48   H  HA   . PRO A 1 5  ? -9.03000  -3.72500  -13.52100 1.000 17.57959 ? 47  PRO A HA   1 
ATOM   49   H  HB2  . PRO A 1 5  ? -7.66900  -1.42500  -12.82300 1.000 23.12452 ? 47  PRO A HB2  1 
ATOM   50   H  HB3  . PRO A 1 5  ? -7.52400  -2.26200  -14.16500 1.000 23.12452 ? 47  PRO A HB3  1 
ATOM   51   H  HG2  . PRO A 1 5  ? -8.64000  -0.02600  -14.11300 1.000 20.89667 ? 47  PRO A HG2  1 
ATOM   52   H  HG3  . PRO A 1 5  ? -9.03600  -1.14800  -15.16600 1.000 20.89667 ? 47  PRO A HG3  1 
ATOM   53   H  HD2  . PRO A 1 5  ? -10.47100 -0.30700  -12.95900 1.000 18.17725 ? 47  PRO A HD2  1 
ATOM   54   H  HD3  . PRO A 1 5  ? -11.03200 -0.85200  -14.34200 1.000 18.17725 ? 47  PRO A HD3  1 
ATOM   55   N  N    . THR A 1 6  ? -8.12600  -4.37100  -11.29900 1.000 14.68738 ? 48  THR A N    1 
ATOM   56   C  CA   . THR A 1 6  ? -7.76700  -4.85800  -9.96200  1.000 13.46077 ? 48  THR A CA   1 
ATOM   57   C  C    . THR A 1 6  ? -6.29100  -5.25300  -10.00500 1.000 13.59445 ? 48  THR A C    1 
ATOM   58   O  O    . THR A 1 6  ? -5.88800  -6.07200  -10.85400 1.000 18.13804 ? 48  THR A O    1 
ATOM   59   C  CB   . THR A 1 6  ? -8.61600  -6.01100  -9.50000  1.000 14.90306 ? 48  THR A CB   1 
ATOM   60   O  OG1  . THR A 1 6  ? -9.98100  -5.61800  -9.49400  1.000 17.83185 ? 48  THR A OG1  1 
ATOM   61   C  CG2  . THR A 1 6  ? -8.20500  -6.48400  -8.11200  1.000 19.54799 ? 48  THR A CG2  1 
ATOM   62   H  H    . THR A 1 6  ? -7.87900  -4.90800  -11.92400 1.000 17.64185 ? 48  THR A H    1 
ATOM   63   H  HA   . THR A 1 6  ? -7.90300  -4.15100  -9.31200  1.000 16.16993 ? 48  THR A HA   1 
ATOM   64   H  HB   . THR A 1 6  ? -8.49600  -6.76000  -10.10500 1.000 17.90068 ? 48  THR A HB   1 
ATOM   65   H  HG1  . THR A 1 6  ? -10.20200 -5.33900  -10.25500 1.000 21.41522 ? 48  THR A HG1  1 
ATOM   66   H  HG21 . THR A 1 6  ? -8.85700  -7.11600  -7.77100  1.000 23.47459 ? 48  THR A HG21 1 
ATOM   67   H  HG22 . THR A 1 6  ? -7.33800  -6.91800  -8.15200  1.000 23.47459 ? 48  THR A HG22 1 
ATOM   68   H  HG23 . THR A 1 6  ? -8.15200  -5.72900  -7.50600  1.000 23.47459 ? 48  THR A HG23 1 
ATOM   69   N  N    . PHE A 1 7  ? -5.50600  -4.71400  -9.09100  1.000 11.27347 ? 49  PHE A N    1 
ATOM   70   C  CA   . PHE A 1 7  ? -4.10700  -5.00400  -8.90600  1.000 10.70151 ? 49  PHE A CA   1 
ATOM   71   C  C    . PHE A 1 7  ? -3.91800  -5.70000  -7.59600  1.000 9.86199  ? 49  PHE A C    1 
ATOM   72   O  O    . PHE A 1 7  ? -4.83500  -5.74400  -6.77900  1.000 12.41540 ? 49  PHE A O    1 
ATOM   73   C  CB   . PHE A 1 7  ? -3.34100  -3.70300  -9.03600  1.000 11.45741 ? 49  PHE A CB   1 
ATOM   74   C  CG   . PHE A 1 7  ? -3.58700  -2.96900  -10.31600 1.000 11.18507 ? 49  PHE A CG   1 
ATOM   75   C  CD1  . PHE A 1 7  ? -2.96900  -3.40600  -11.44900 1.000 14.20811 ? 49  PHE A CD1  1 
ATOM   76   C  CD2  . PHE A 1 7  ? -4.50800  -1.95500  -10.39300 1.000 12.05399 ? 49  PHE A CD2  1 
ATOM   77   C  CE1  . PHE A 1 7  ? -3.18600  -2.73600  -12.71100 1.000 15.73960 ? 49  PHE A CE1  1 
ATOM   78   C  CE2  . PHE A 1 7  ? -4.79000  -1.36300  -11.62400 1.000 15.02752 ? 49  PHE A CE2  1 
ATOM   79   C  CZ   . PHE A 1 7  ? -4.13300  -1.75300  -12.78100 1.000 15.99980 ? 49  PHE A CZ   1 
ATOM   80   H  H    . PHE A 1 7  ? -5.78800  -4.13300  -8.52300  1.000 13.54516 ? 49  PHE A H    1 
ATOM   81   H  HA   . PHE A 1 7  ? -3.76700  -5.61400  -9.57900  1.000 12.85882 ? 49  PHE A HA   1 
ATOM   82   H  HB2  . PHE A 1 7  ? -3.59800  -3.11800  -8.30700  1.000 13.76590 ? 49  PHE A HB2  1 
ATOM   83   H  HB3  . PHE A 1 7  ? -2.39100  -3.89700  -8.98700  1.000 13.76590 ? 49  PHE A HB3  1 
ATOM   84   H  HD1  . PHE A 1 7  ? -2.40100  -4.14100  -11.41000 1.000 17.06673 ? 49  PHE A HD1  1 
ATOM   85   H  HD2  . PHE A 1 7  ? -4.94400  -1.66200  -9.62500  1.000 14.48179 ? 49  PHE A HD2  1 
ATOM   86   H  HE1  . PHE A 1 7  ? -2.69100  -2.97100  -13.46300 1.000 18.90452 ? 49  PHE A HE1  1 
ATOM   87   H  HE2  . PHE A 1 7  ? -5.43200  -0.69200  -11.67000 1.000 18.05003 ? 49  PHE A HE2  1 
ATOM   88   H  HZ   . PHE A 1 7  ? -4.33500  -1.35100  -13.59500 1.000 19.21676 ? 49  PHE A HZ   1 
ATOM   89   N  N    . ARG A 1 8  ? -2.70700  -6.07500  -7.29700  1.000 10.60218 ? 50  ARG A N    1 
ATOM   90   C  CA   . ARG A 1 8  ? -2.39900  -6.76600  -6.07600  1.000 11.85744 ? 50  ARG A CA   1 
ATOM   91   C  C    . ARG A 1 8  ? -1.04900  -6.33800  -5.53000  1.000 10.57586 ? 50  ARG A C    1 
ATOM   92   O  O    . ARG A 1 8  ? -0.08300  -6.21000  -6.26400  1.000 13.36008 ? 50  ARG A O    1 
ATOM   93   C  CB   . ARG A 1 8  ? -2.41400  -8.29200  -6.27400  1.000 11.54139 ? 50  ARG A CB   1 
ATOM   94   C  CG   . ARG A 1 8  ? -2.40300  -9.07800  -4.97200  1.000 16.96063 ? 50  ARG A CG   1 
ATOM   95   C  CD   . ARG A 1 8  ? -2.51400  -10.60100 -5.12300  1.000 15.09171 ? 50  ARG A CD   1 
ATOM   96   N  NE   . ARG A 1 8  ? -3.82400  -10.94900 -5.61800  1.000 16.84563 ? 50  ARG A NE   1 
ATOM   97   C  CZ   . ARG A 1 8  ? -4.11700  -12.14900 -6.11300  1.000 15.96989 ? 50  ARG A CZ   1 
ATOM   98   N  NH1  . ARG A 1 8  ? -3.19500  -13.07600 -6.24400  1.000 18.24263 ? 50  ARG A NH1  1 
ATOM   99   N  NH2  . ARG A 1 8  ? -5.35500  -12.38200 -6.51500  1.000 16.80283 ? 50  ARG A NH2  1 
ATOM   100  H  H    . ARG A 1 8  ? -2.02300  -5.93700  -7.80000  1.000 12.73961 ? 50  ARG A H    1 
ATOM   101  H  HA   . ARG A 1 8  ? -3.06600  -6.52500  -5.41500  1.000 14.24593 ? 50  ARG A HA   1 
ATOM   102  H  HB2  . ARG A 1 8  ? -3.21700  -8.53500  -6.76000  1.000 13.86667 ? 50  ARG A HB2  1 
ATOM   103  H  HB3  . ARG A 1 8  ? -1.62800  -8.54800  -6.78100  1.000 13.86667 ? 50  ARG A HB3  1 
ATOM   104  H  HG2  . ARG A 1 8  ? -1.57000  -8.89400  -4.51000  1.000 20.36976 ? 50  ARG A HG2  1 
ATOM   105  H  HG3  . ARG A 1 8  ? -3.15400  -8.78600  -4.43100  1.000 20.36976 ? 50  ARG A HG3  1 
ATOM   106  H  HD2  . ARG A 1 8  ? -1.84800  -10.91800 -5.75300  1.000 18.12706 ? 50  ARG A HD2  1 
ATOM   107  H  HD3  . ARG A 1 8  ? -2.38400  -11.02600 -4.26100  1.000 18.12706 ? 50  ARG A HD3  1 
ATOM   108  H  HE   . ARG A 1 8  ? -4.44400  -10.35400 -5.59200  1.000 20.23175 ? 50  ARG A HE   1 
ATOM   109  H  HH11 . ARG A 1 8  ? -2.38500  -12.91300 -6.00700  1.000 21.90815 ? 50  ARG A HH11 1 
ATOM   110  H  HH12 . ARG A 1 8  ? -3.40200  -13.84600 -6.56600  1.000 21.90815 ? 50  ARG A HH12 1 
ATOM   111  H  HH21 . ARG A 1 8  ? -5.95100  -11.76500 -6.45300  1.000 20.18039 ? 50  ARG A HH21 1 
ATOM   112  H  HH22 . ARG A 1 8  ? -5.56500  -13.15100 -6.83800  1.000 20.18039 ? 50  ARG A HH22 1 
ATOM   113  N  N    . LEU A 1 9  ? -0.95300  -6.09600  -4.24500  1.000 10.54837 ? 51  LEU A N    1 
ATOM   114  C  CA   . LEU A 1 9  ? 0.28700   -5.83400  -3.54900  1.000 10.52070 ? 51  LEU A CA   1 
ATOM   115  C  C    . LEU A 1 9  ? 0.37900   -6.79200  -2.37900  1.000 11.72692 ? 51  LEU A C    1 
ATOM   116  O  O    . LEU A 1 9  ? -0.56400  -6.90400  -1.58500  1.000 13.52907 ? 51  LEU A O    1 
ATOM   117  C  CB   . LEU A 1 9  ? 0.34200   -4.37100  -3.00000  1.000 9.47210  ? 51  LEU A CB   1 
ATOM   118  C  CG   . LEU A 1 9  ? 0.34600   -3.30900  -4.02600  1.000 11.20910 ? 51  LEU A CG   1 
ATOM   119  C  CD1  . LEU A 1 9  ? 0.09900   -1.94900  -3.36900  1.000 11.33376 ? 51  LEU A CD1  1 
ATOM   120  C  CD2  . LEU A 1 9  ? 1.63400   -3.28900  -4.82400  1.000 12.44798 ? 51  LEU A CD2  1 
ATOM   121  H  H    . LEU A 1 9  ? -1.63300  -6.07600  -3.71900  1.000 12.67505 ? 51  LEU A H    1 
ATOM   122  H  HA   . LEU A 1 9  ? 1.03700   -5.96400  -4.15000  1.000 12.64184 ? 51  LEU A HA   1 
ATOM   123  H  HB2  . LEU A 1 9  ? -0.43500  -4.22700  -2.43800  1.000 11.38352 ? 51  LEU A HB2  1 
ATOM   124  H  HB3  . LEU A 1 9  ? 1.15300   -4.27200  -2.47800  1.000 11.38352 ? 51  LEU A HB3  1 
ATOM   125  H  HG   . LEU A 1 9  ? -0.36800  -3.49000  -4.65600  1.000 13.46792 ? 51  LEU A HG   1 
ATOM   126  H  HD11 . LEU A 1 9  ? 0.15200   -1.25700  -4.04600  1.000 13.61751 ? 51  LEU A HD11 1 
ATOM   127  H  HD12 . LEU A 1 9  ? -0.78300  -1.95000  -2.96500  1.000 13.61751 ? 51  LEU A HD12 1 
ATOM   128  H  HD13 . LEU A 1 9  ? 0.77500   -1.80000  -2.68900  1.000 13.61751 ? 51  LEU A HD13 1 
ATOM   129  H  HD21 . LEU A 1 9  ? 1.63100   -2.51700  -5.41100  1.000 14.95458 ? 51  LEU A HD21 1 
ATOM   130  H  HD22 . LEU A 1 9  ? 2.38500   -3.23600  -4.21200  1.000 14.95458 ? 51  LEU A HD22 1 
ATOM   131  H  HD23 . LEU A 1 9  ? 1.69300   -4.10300  -5.34900  1.000 14.95458 ? 51  LEU A HD23 1 
ATOM   132  N  N    . GLU A 1 10 ? 1.55100   -7.33500  -2.15500  1.000 11.13016 ? 52  GLU A N    1 
ATOM   133  C  CA   . GLU A 1 10 ? 1.85100   -8.13100  -0.99200  1.000 11.51295 ? 52  GLU A CA   1 
ATOM   134  C  C    . GLU A 1 10 ? 2.70500   -7.30400  -0.05900  1.000 10.88321 ? 52  GLU A C    1 
ATOM   135  O  O    . GLU A 1 10 ? 3.73700   -6.74100  -0.46100  1.000 11.36038 ? 52  GLU A O    1 
ATOM   136  C  CB   . GLU A 1 10 ? 2.57000   -9.42200  -1.34700  1.000 13.93577 ? 52  GLU A CB   1 
ATOM   137  C  CG   . GLU A 1 10 ? 2.92300   -10.28500 -0.15900  1.000 13.81984 ? 52  GLU A CG   1 
ATOM   138  C  CD   . GLU A 1 10 ? 3.26600   -11.72000 -0.54500  1.000 24.14028 ? 52  GLU A CD   1 
ATOM   139  O  OE1  . GLU A 1 10 ? 2.80600   -12.16300 -1.61500  1.000 28.83457 ? 52  GLU A OE1  1 
ATOM   140  O  OE2  . GLU A 1 10 ? 3.97400   -12.41200 0.22400   1.000 23.36790 ? 52  GLU A OE2  1 
ATOM   141  H  H    . GLU A 1 10 ? 2.22100   -7.25200  -2.68700  1.000 13.37319 ? 52  GLU A H    1 
ATOM   142  H  HA   . GLU A 1 10 ? 1.02300   -8.37800  -0.55100  1.000 13.83254 ? 52  GLU A HA   1 
ATOM   143  H  HB2  . GLU A 1 10 ? 1.99700   -9.94500  -1.93000  1.000 16.73992 ? 52  GLU A HB2  1 
ATOM   144  H  HB3  . GLU A 1 10 ? 3.39600   -9.20100  -1.80500  1.000 16.73992 ? 52  GLU A HB3  1 
ATOM   145  H  HG2  . GLU A 1 10 ? 3.69400   -9.90300  0.28900   1.000 16.60081 ? 52  GLU A HG2  1 
ATOM   146  H  HG3  . GLU A 1 10 ? 2.16600   -10.31100 0.44700   1.000 16.60081 ? 52  GLU A HG3  1 
ATOM   147  N  N    . PHE A 1 11 ? 2.27300   -7.26200  1.20700   1.000 10.07296 ? 53  PHE A N    1 
ATOM   148  C  CA   . PHE A 1 11 ? 3.03000   -6.64500  2.29300   1.000 11.51791 ? 53  PHE A CA   1 
ATOM   149  C  C    . PHE A 1 11 ? 3.54200   -7.74400  3.20700   1.000 9.89690  ? 53  PHE A C    1 
ATOM   150  O  O    . PHE A 1 11 ? 2.76500   -8.56100  3.72100   1.000 12.55703 ? 53  PHE A O    1 
ATOM   151  C  CB   . PHE A 1 11 ? 2.12800   -5.69000  3.15500   1.000 11.65701 ? 53  PHE A CB   1 
ATOM   152  C  CG   . PHE A 1 11 ? 1.89200   -4.32500  2.51900   1.000 11.95821 ? 53  PHE A CG   1 
ATOM   153  C  CD1  . PHE A 1 11 ? 1.14300   -4.20900  1.35400   1.000 13.19434 ? 53  PHE A CD1  1 
ATOM   154  C  CD2  . PHE A 1 11 ? 2.37200   -3.20800  3.11800   1.000 11.06149 ? 53  PHE A CD2  1 
ATOM   155  C  CE1  . PHE A 1 11 ? 0.99000   -2.92900  0.78500   1.000 13.75953 ? 53  PHE A CE1  1 
ATOM   156  C  CE2  . PHE A 1 11 ? 2.19800   -1.92600  2.56700   1.000 13.30610 ? 53  PHE A CE2  1 
ATOM   157  C  CZ   . PHE A 1 11 ? 1.48600   -1.81600  1.41400   1.000 12.68719 ? 53  PHE A CZ   1 
ATOM   158  H  H    . PHE A 1 11 ? 1.52300   -7.59600  1.46400   1.000 12.10455 ? 53  PHE A H    1 
ATOM   159  H  HA   . PHE A 1 11 ? 3.76500   -6.13700  1.91500   1.000 13.83849 ? 53  PHE A HA   1 
ATOM   160  H  HB2  . PHE A 1 11 ? 1.26300   -6.11000  3.28400   1.000 14.00542 ? 53  PHE A HB2  1 
ATOM   161  H  HB3  . PHE A 1 11 ? 2.55700   -5.54600  4.01300   1.000 14.00542 ? 53  PHE A HB3  1 
ATOM   162  H  HD1  . PHE A 1 11 ? 0.75300   -4.95600  0.96100   1.000 15.85021 ? 53  PHE A HD1  1 
ATOM   163  H  HD2  . PHE A 1 11 ? 2.83300   -3.29300  3.92100   1.000 13.29078 ? 53  PHE A HD2  1 
ATOM   164  H  HE1  . PHE A 1 11 ? 0.54700   -2.83800  -0.02800  1.000 16.52844 ? 53  PHE A HE1  1 
ATOM   165  H  HE2  . PHE A 1 11 ? 2.55900   -1.17500  2.98000   1.000 15.98433 ? 53  PHE A HE2  1 
ATOM   166  H  HZ   . PHE A 1 11 ? 1.33400   -0.97500  1.04800   1.000 15.24163 ? 53  PHE A HZ   1 
ATOM   167  N  N    . LYS A 1 12 ? 4.84100   -7.79100  3.46600   1.000 11.69592 ? 54  LYS A N    1 
ATOM   168  C  CA   . LYS A 1 12 ? 5.36800   -8.83700  4.35600   1.000 13.69841 ? 54  LYS A CA   1 
ATOM   169  C  C    . LYS A 1 12 ? 6.49900   -8.22000  5.16800   1.000 14.99861 ? 54  LYS A C    1 
ATOM   170  O  O    . LYS A 1 12 ? 7.62000   -8.05500  4.66900   1.000 15.34139 ? 54  LYS A O    1 
ATOM   171  C  CB   . LYS A 1 12 ? 5.88300   -10.03000 3.55000   1.000 14.45062 ? 54  LYS A CB   1 
ATOM   172  C  CG   . LYS A 1 12 ? 6.20800   -11.22800 4.43200   1.000 14.16603 ? 54  LYS A CG   1 
ATOM   173  C  CD   . LYS A 1 12 ? 6.63400   -12.44500 3.62600   1.000 18.29510 ? 54  LYS A CD   1 
ATOM   174  C  CE   . LYS A 1 12 ? 6.58800   -13.66200 4.49600   1.000 23.88030 ? 54  LYS A CE   1 
ATOM   175  N  NZ   . LYS A 1 12 ? 6.91900   -14.93300 3.76400   1.000 35.06473 ? 54  LYS A NZ   1 
ATOM   176  H  H    . LYS A 1 12 ? 5.42800   -7.24600  3.15200   1.000 14.05210 ? 54  LYS A H    1 
ATOM   177  H  HA   . LYS A 1 12 ? 4.66600   -9.13300  4.95600   1.000 16.45509 ? 54  LYS A HA   1 
ATOM   178  H  HB2  . LYS A 1 12 ? 5.20300   -10.30000 2.91300   1.000 17.35775 ? 54  LYS A HB2  1 
ATOM   179  H  HB3  . LYS A 1 12 ? 6.69200   -9.77100  3.08200   1.000 17.35775 ? 54  LYS A HB3  1 
ATOM   180  H  HG2  . LYS A 1 12 ? 6.93500   -10.99400 5.03000   1.000 17.01624 ? 54  LYS A HG2  1 
ATOM   181  H  HG3  . LYS A 1 12 ? 5.42000   -11.46800 4.94500   1.000 17.01624 ? 54  LYS A HG3  1 
ATOM   182  H  HD2  . LYS A 1 12 ? 6.03000   -12.57200 2.87700   1.000 21.97113 ? 54  LYS A HD2  1 
ATOM   183  H  HD3  . LYS A 1 12 ? 7.54100   -12.32500 3.30400   1.000 21.97113 ? 54  LYS A HD3  1 
ATOM   184  H  HE2  . LYS A 1 12 ? 7.23000   -13.55800 5.21600   1.000 28.67337 ? 54  LYS A HE2  1 
ATOM   185  H  HE3  . LYS A 1 12 ? 5.69400   -13.75300 4.86100   1.000 28.67337 ? 54  LYS A HE3  1 
ATOM   186  H  HZ1  . LYS A 1 12 ? 6.64300   -15.63600 4.23500   1.000 42.09468 ? 54  LYS A HZ1  1 
ATOM   187  H  HZ2  . LYS A 1 12 ? 6.51600   -14.94000 2.97100   1.000 42.09468 ? 54  LYS A HZ2  1 
ATOM   188  H  HZ3  . LYS A 1 12 ? 7.79800   -14.99400 3.64200   1.000 42.09468 ? 54  LYS A HZ3  1 
ATOM   189  N  N    . ASP A 1 13 ? 6.18900   -7.88000  6.39600   1.000 12.30378 ? 55  ASP A N    1 
ATOM   190  C  CA   . ASP A 1 13 ? 7.16100   -7.37200  7.34100   1.000 16.55320 ? 55  ASP A CA   1 
ATOM   191  C  C    . ASP A 1 13 ? 7.92900   -6.18700  6.78500   1.000 16.52869 ? 55  ASP A C    1 
ATOM   192  O  O    . ASP A 1 13 ? 9.14400   -6.09100  6.89900   1.000 18.60668 ? 55  ASP A O    1 
ATOM   193  C  CB   . ASP A 1 13 ? 8.09200   -8.50600  7.80600   1.000 22.82719 ? 55  ASP A CB   1 
ATOM   194  C  CG   . ASP A 1 13 ? 7.32300   -9.72900  8.32600   1.000 24.71439 ? 55  ASP A CG   1 
ATOM   195  O  OD1  . ASP A 1 13 ? 6.41300   -9.56300  9.16800   1.000 23.16085 ? 55  ASP A OD1  1 
ATOM   196  O  OD2  . ASP A 1 13 ? 7.61900   -10.84500 7.86100   1.000 28.59991 ? 55  ASP A OD2  1 
ATOM   197  H  H    . ASP A 1 13 ? 5.39400   -7.93500  6.72100   1.000 14.78154 ? 55  ASP A H    1 
ATOM   198  H  HA   . ASP A 1 13 ? 6.69200   -7.03500  8.11900   1.000 19.88085 ? 55  ASP A HA   1 
ATOM   199  H  HB2  . ASP A 1 13 ? 8.64100   -8.79200  7.05800   1.000 27.40963 ? 55  ASP A HB2  1 
ATOM   200  H  HB3  . ASP A 1 13 ? 8.65500   -8.17800  8.52400   1.000 27.40963 ? 55  ASP A HB3  1 
ATOM   201  N  N    . GLY A 1 14 ? 7.20800   -5.30800  6.15600   1.000 14.21195 ? 56  GLY A N    1 
ATOM   202  C  CA   . GLY A 1 14 ? 7.75400   -4.07800  5.59900   1.000 16.07495 ? 56  GLY A CA   1 
ATOM   203  C  C    . GLY A 1 14 ? 8.15400   -4.15100  4.14700   1.000 13.91630 ? 56  GLY A C    1 
ATOM   204  O  O    . GLY A 1 14 ? 8.32400   -3.09900  3.51400   1.000 12.94914 ? 56  GLY A O    1 
ATOM   205  H  H    . GLY A 1 14 ? 6.36200   -5.39100  6.02500   1.000 17.07134 ? 56  GLY A H    1 
ATOM   206  H  HA2  . GLY A 1 14 ? 7.08900   -3.37700  5.68600   1.000 19.30694 ? 56  GLY A HA2  1 
ATOM   207  H  HA3  . GLY A 1 14 ? 8.54100   -3.83000  6.10900   1.000 19.30694 ? 56  GLY A HA3  1 
ATOM   208  N  N    . VAL A 1 15 ? 8.26400   -5.34300  3.58200   1.000 12.66554 ? 57  VAL A N    1 
ATOM   209  C  CA   . VAL A 1 15 ? 8.64700   -5.52800  2.17200   1.000 12.98837 ? 57  VAL A CA   1 
ATOM   210  C  C    . VAL A 1 15 ? 7.38000   -5.52900  1.33600   1.000 11.20953 ? 57  VAL A C    1 
ATOM   211  O  O    . VAL A 1 15 ? 6.44400   -6.25200  1.66500   1.000 14.79779 ? 57  VAL A O    1 
ATOM   212  C  CB   . VAL A 1 15 ? 9.40500   -6.85800  1.96100   1.000 14.90513 ? 57  VAL A CB   1 
ATOM   213  C  CG1  . VAL A 1 15 ? 9.75400   -7.05100  0.48000   1.000 16.62855 ? 57  VAL A CG1  1 
ATOM   214  C  CG2  . VAL A 1 15 ? 10.65300  -6.91200  2.81700   1.000 18.36221 ? 57  VAL A CG2  1 
ATOM   215  H  H    . VAL A 1 15 ? 8.12000   -6.08300  3.99500   1.000 15.21566 ? 57  VAL A H    1 
ATOM   216  H  HA   . VAL A 1 15 ? 9.22300   -4.79500  1.90600   1.000 15.60304 ? 57  VAL A HA   1 
ATOM   217  H  HB   . VAL A 1 15 ? 8.82700   -7.58800  2.23200   1.000 17.90316 ? 57  VAL A HB   1 
ATOM   218  H  HG11 . VAL A 1 15 ? 10.33500  -7.82300  0.39100   1.000 19.97127 ? 57  VAL A HG11 1 
ATOM   219  H  HG12 . VAL A 1 15 ? 8.93600   -7.19200  -0.02100  1.000 19.97127 ? 57  VAL A HG12 1 
ATOM   220  H  HG13 . VAL A 1 15 ? 10.20800  -6.25700  0.15700   1.000 19.97127 ? 57  VAL A HG13 1 
ATOM   221  H  HG21 . VAL A 1 15 ? 11.09600  -7.76300  2.67600   1.000 22.05165 ? 57  VAL A HG21 1 
ATOM   222  H  HG22 . VAL A 1 15 ? 11.24300  -6.18600  2.56200   1.000 22.05165 ? 57  VAL A HG22 1 
ATOM   223  H  HG23 . VAL A 1 15 ? 10.40100  -6.82100  3.74900   1.000 22.05165 ? 57  VAL A HG23 1 
ATOM   224  N  N    . ILE A 1 16 ? 7.35400   -4.73100  0.27400   1.000 11.10712 ? 58  ILE A N    1 
ATOM   225  C  CA   . ILE A 1 16 ? 6.17500   -4.56900  -0.58300  1.000 11.91699 ? 58  ILE A CA   1 
ATOM   226  C  C    . ILE A 1 16 ? 6.56400   -5.13800  -1.93900  1.000 11.73946 ? 58  ILE A C    1 
ATOM   227  O  O    . ILE A 1 16 ? 7.54100   -4.66700  -2.51400  1.000 11.25026 ? 58  ILE A O    1 
ATOM   228  C  CB   . ILE A 1 16 ? 5.73400   -3.10000  -0.68000  1.000 9.56994  ? 58  ILE A CB   1 
ATOM   229  C  CG1  . ILE A 1 16 ? 5.32000   -2.54400  0.70000   1.000 10.58311 ? 58  ILE A CG1  1 
ATOM   230  C  CG2  . ILE A 1 16 ? 4.55000   -2.97700  -1.63100  1.000 10.39650 ? 58  ILE A CG2  1 
ATOM   231  C  CD1  . ILE A 1 16 ? 5.16400   -1.02700  0.70100   1.000 10.76588 ? 58  ILE A CD1  1 
ATOM   232  H  H    . ILE A 1 16 ? 8.02500   -4.25700  0.02000   1.000 13.34554 ? 58  ILE A H    1 
ATOM   233  H  HA   . ILE A 1 16 ? 5.41900   -5.06200  -0.23000  1.000 14.31740 ? 58  ILE A HA   1 
ATOM   234  H  HB   . ILE A 1 16 ? 6.48900   -2.58900  -1.01100  1.000 11.50094 ? 58  ILE A HB   1 
ATOM   235  H  HG12 . ILE A 1 16 ? 4.47000   -2.93300  0.95500   1.000 12.71674 ? 58  ILE A HG12 1 
ATOM   236  H  HG13 . ILE A 1 16 ? 6.00100   -2.77600  1.35100   1.000 12.71674 ? 58  ILE A HG13 1 
ATOM   237  H  HG21 . ILE A 1 16 ? 4.26600   -2.05100  -1.66400  1.000 12.49280 ? 58  ILE A HG21 1 
ATOM   238  H  HG22 . ILE A 1 16 ? 4.82300   -3.27100  -2.51400  1.000 12.49280 ? 58  ILE A HG22 1 
ATOM   239  H  HG23 . ILE A 1 16 ? 3.82500   -3.53500  -1.30600  1.000 12.49280 ? 58  ILE A HG23 1 
ATOM   240  H  HD11 . ILE A 1 16 ? 5.06100   -0.72000  1.61500   1.000 12.93605 ? 58  ILE A HD11 1 
ATOM   241  H  HD12 . ILE A 1 16 ? 5.95600   -0.62800  0.30600   1.000 12.93605 ? 58  ILE A HD12 1 
ATOM   242  H  HD13 . ILE A 1 16 ? 4.38000   -0.78900  0.18100   1.000 12.93605 ? 58  ILE A HD13 1 
ATOM   243  N  N    . THR A 1 17 ? 5.74400   -6.01600  -2.48300  1.000 10.28478 ? 59  THR A N    1 
ATOM   244  C  CA   . THR A 1 17 ? 6.01600   -6.65400  -3.75900  1.000 10.93163 ? 59  THR A CA   1 
ATOM   245  C  C    . THR A 1 17 ? 4.70600   -6.68700  -4.54800  1.000 10.68777 ? 59  THR A C    1 
ATOM   246  O  O    . THR A 1 17 ? 3.67000   -7.21400  -4.05900  1.000 12.86962 ? 59  THR A O    1 
ATOM   247  C  CB   . THR A 1 17 ? 6.47900   -8.11200  -3.55200  1.000 14.13390 ? 59  THR A CB   1 
ATOM   248  O  OG1  . THR A 1 17 ? 7.57000   -8.17800  -2.61400  1.000 18.22950 ? 59  THR A OG1  1 
ATOM   249  C  CG2  . THR A 1 17 ? 6.91200   -8.74100  -4.87600  1.000 16.33665 ? 59  THR A CG2  1 
ATOM   250  H  H    . THR A 1 17 ? 5.00400   -6.26700  -2.12500  1.000 12.35873 ? 59  THR A H    1 
ATOM   251  H  HA   . THR A 1 17 ? 6.69100   -6.14500  -4.23500  1.000 13.13496 ? 59  THR A HA   1 
ATOM   252  H  HB   . THR A 1 17 ? 5.73300   -8.62100  -3.19700  1.000 16.97769 ? 59  THR A HB   1 
ATOM   253  H  HG1  . THR A 1 17 ? 7.31900   -7.90000  -1.86100  1.000 21.89240 ? 59  THR A HG1  1 
ATOM   254  H  HG21 . THR A 1 17 ? 7.28100   -9.62400  -4.71900  1.000 19.62098 ? 59  THR A HG21 1 
ATOM   255  H  HG22 . THR A 1 17 ? 6.15000   -8.81900  -5.47100  1.000 19.62098 ? 59  THR A HG22 1 
ATOM   256  H  HG23 . THR A 1 17 ? 7.58700   -8.18900  -5.30000  1.000 19.62098 ? 59  THR A HG23 1 
ATOM   257  N  N    . PRO A 1 18 ? 4.73700   -6.22600  -5.80300  1.000 11.37536 ? 60  PRO A N    1 
ATOM   258  C  CA   . PRO A 1 18 ? 5.84800   -5.52600  -6.42100  1.000 12.61567 ? 60  PRO A CA   1 
ATOM   259  C  C    . PRO A 1 18 ? 6.08600   -4.16400  -5.80000  1.000 14.29932 ? 60  PRO A C    1 
ATOM   260  O  O    . PRO A 1 18 ? 5.14900   -3.61200  -5.17200  1.000 13.97677 ? 60  PRO A O    1 
ATOM   261  C  CB   . PRO A 1 18 ? 5.36900   -5.36400  -7.87000  1.000 14.23555 ? 60  PRO A CB   1 
ATOM   262  C  CG   . PRO A 1 18 ? 3.84600   -5.22500  -7.76000  1.000 15.00094 ? 60  PRO A CG   1 
ATOM   263  C  CD   . PRO A 1 18 ? 3.54400   -6.24100  -6.65700  1.000 11.95807 ? 60  PRO A CD   1 
ATOM   264  H  HA   . PRO A 1 18 ? 6.65100   -6.06900  -6.37400  1.000 15.15581 ? 60  PRO A HA   1 
ATOM   265  H  HB2  . PRO A 1 18 ? 5.76400   -4.57000  -8.26300  1.000 17.09967 ? 60  PRO A HB2  1 
ATOM   266  H  HB3  . PRO A 1 18 ? 5.61100   -6.14700  -8.38800  1.000 17.09967 ? 60  PRO A HB3  1 
ATOM   267  H  HG2  . PRO A 1 18 ? 3.59800   -4.32400  -7.50000  1.000 18.01812 ? 60  PRO A HG2  1 
ATOM   268  H  HG3  . PRO A 1 18 ? 3.41500   -5.45900  -8.59700  1.000 18.01812 ? 60  PRO A HG3  1 
ATOM   269  H  HD2  . PRO A 1 18 ? 2.76000   -5.97200  -6.15200  1.000 14.36669 ? 60  PRO A HD2  1 
ATOM   270  H  HD3  . PRO A 1 18 ? 3.40800   -7.12300  -7.03600  1.000 14.36669 ? 60  PRO A HD3  1 
ATOM   271  N  N    . ASP A 1 19 ? 7.26200   -3.58800  -5.89400  1.000 12.36059 ? 61  ASP A N    1 
ATOM   272  C  CA   . ASP A 1 19 ? 7.54000   -2.25000  -5.39000  1.000 13.32684 ? 61  ASP A CA   1 
ATOM   273  C  C    . ASP A 1 19 ? 7.13100   -1.13100  -6.32100  1.000 14.80531 ? 61  ASP A C    1 
ATOM   274  O  O    . ASP A 1 19 ? 7.13500   0.02200   -5.92300  1.000 13.51084 ? 61  ASP A O    1 
ATOM   275  C  CB   . ASP A 1 19 ? 8.98000   -2.08800  -4.91500  1.000 13.77354 ? 61  ASP A CB   1 
ATOM   276  C  CG   . ASP A 1 19 ? 9.98100   -2.07700  -6.05100  1.000 20.29015 ? 61  ASP A CG   1 
ATOM   277  O  OD1  . ASP A 1 19 ? 10.19500  -1.02900  -6.69800  1.000 20.89933 ? 61  ASP A OD1  1 
ATOM   278  O  OD2  . ASP A 1 19 ? 10.57200  -3.14800  -6.27200  1.000 32.74565 ? 61  ASP A OD2  1 
ATOM   279  H  H    . ASP A 1 19 ? 7.94700   -3.95800  -6.25900  1.000 14.84971 ? 61  ASP A H    1 
ATOM   280  H  HA   . ASP A 1 19 ? 7.00100   -2.14300  -4.59000  1.000 16.00921 ? 61  ASP A HA   1 
ATOM   281  H  HB2  . ASP A 1 19 ? 9.06100   -1.24800  -4.43700  1.000 16.54525 ? 61  ASP A HB2  1 
ATOM   282  H  HB3  . ASP A 1 19 ? 9.20300   -2.82700  -4.32700  1.000 16.54525 ? 61  ASP A HB3  1 
ATOM   283  N  N    . ARG A 1 20 ? 6.78800   -1.45300  -7.55800  1.000 15.14692 ? 62  ARG A N    1 
ATOM   284  C  CA   . ARG A 1 20 ? 6.37600   -0.46500  -8.54500  1.000 17.81059 ? 62  ARG A CA   1 
ATOM   285  C  C    . ARG A 1 20 ? 5.12900   -1.06300  -9.18000  1.000 21.41615 ? 62  ARG A C    1 
ATOM   286  O  O    . ARG A 1 20 ? 5.13000   -2.24500  -9.57100  1.000 26.19423 ? 62  ARG A O    1 
ATOM   287  C  CB   . ARG A 1 20 ? 7.50900   -0.20700  -9.55300  1.000 21.50449 ? 62  ARG A CB   1 
ATOM   288  C  CG   . ARG A 1 20 ? 7.25600   0.84600   -10.62400 1.000 23.56840 ? 62  ARG A CG   1 
ATOM   289  C  CD   . ARG A 1 20 ? 8.42900   0.92700   -11.62500 1.000 31.16186 ? 62  ARG A CD   1 
ATOM   290  N  NE   . ARG A 1 20 ? 8.14000   1.84200   -12.72600 1.000 35.35757 ? 62  ARG A NE   1 
ATOM   291  C  CZ   . ARG A 1 20 ? 7.41800   1.50800   -13.78600 1.000 29.21329 ? 62  ARG A CZ   1 
ATOM   292  N  NH1  . ARG A 1 20 ? 6.93200   0.28600   -13.92000 1.000 29.78574 ? 62  ARG A NH1  1 
ATOM   293  N  NH2  . ARG A 1 20 ? 7.15700   2.43000   -14.71200 1.000 38.18486 ? 62  ARG A NH2  1 
ATOM   294  H  H    . ARG A 1 20 ? 6.78500   -2.25900  -7.85900  1.000 18.19331 ? 62  ARG A H    1 
ATOM   295  H  HA   . ARG A 1 20 ? 6.16200   0.40400   -8.17200  1.000 21.38971 ? 62  ARG A HA   1 
ATOM   296  H  HB2  . ARG A 1 20 ? 8.29200   0.07800   -9.05600  1.000 25.82239 ? 62  ARG A HB2  1 
ATOM   297  H  HB3  . ARG A 1 20 ? 7.69400   -1.04000  -10.01400 1.000 25.82239 ? 62  ARG A HB3  1 
ATOM   298  H  HG2  . ARG A 1 20 ? 6.45100   0.61700   -11.11500 1.000 28.29909 ? 62  ARG A HG2  1 
ATOM   299  H  HG3  . ARG A 1 20 ? 7.15300   1.71400   -10.20300 1.000 28.29909 ? 62  ARG A HG3  1 
ATOM   300  H  HD2  . ARG A 1 20 ? 9.22100   1.24600   -11.16500 1.000 37.41123 ? 62  ARG A HD2  1 
ATOM   301  H  HD3  . ARG A 1 20 ? 8.59300   0.04700   -11.99800 1.000 37.41123 ? 62  ARG A HD3  1 
ATOM   302  H  HE   . ARG A 1 20 ? 8.45400   2.64100   -12.68400 1.000 42.44609 ? 62  ARG A HE   1 
ATOM   303  H  HH11 . ARG A 1 20 ? 7.08300   -0.30500  -13.31400 1.000 35.75989 ? 62  ARG A HH11 1 
ATOM   304  H  HH12 . ARG A 1 20 ? 6.46500   0.08200   -14.61300 1.000 35.75989 ? 62  ARG A HH12 1 
ATOM   305  H  HH21 . ARG A 1 20 ? 7.45600   3.23100   -14.61800 1.000 45.83884 ? 62  ARG A HH21 1 
ATOM   306  H  HH22 . ARG A 1 20 ? 6.68900   2.22400   -15.40400 1.000 45.83884 ? 62  ARG A HH22 1 
ATOM   307  N  N    . LEU A 1 21 ? 4.05700   -0.28200  -9.24300  1.000 14.49232 ? 63  LEU A N    1 
ATOM   308  C  CA   . LEU A 1 21 ? 2.80900   -0.67300  -9.84400  1.000 12.32462 ? 63  LEU A CA   1 
ATOM   309  C  C    . LEU A 1 21 ? 2.31900   0.39600   -10.78800 1.000 13.82189 ? 63  LEU A C    1 
ATOM   310  O  O    . LEU A 1 21 ? 2.08600   1.52600   -10.36300 1.000 16.05024 ? 63  LEU A O    1 
ATOM   311  C  CB   . LEU A 1 21 ? 1.80400   -0.92200  -8.73100  1.000 17.11053 ? 63  LEU A CB   1 
ATOM   312  C  CG   . LEU A 1 21 ? 0.55600   -1.60300  -9.14000  1.000 16.35870 ? 63  LEU A CG   1 
ATOM   313  C  CD1  . LEU A 1 21 ? 0.78000   -3.05200  -9.55900  1.000 18.30320 ? 63  LEU A CD1  1 
ATOM   314  C  CD2  . LEU A 1 21 ? -0.46000  -1.63100  -7.97200  1.000 16.29440 ? 63  LEU A CD2  1 
ATOM   315  H  H    . LEU A 1 21 ? 4.03700   0.51700   -8.92600  1.000 17.40779 ? 63  LEU A H    1 
ATOM   316  H  HA   . LEU A 1 21 ? 2.92700   -1.47000  -10.38500 1.000 14.80654 ? 63  LEU A HA   1 
ATOM   317  H  HB2  . LEU A 1 21 ? 2.22800   -1.47600  -8.05700  1.000 20.54964 ? 63  LEU A HB2  1 
ATOM   318  H  HB3  . LEU A 1 21 ? 1.55500   -0.06600  -8.34900  1.000 20.54964 ? 63  LEU A HB3  1 
ATOM   319  H  HG   . LEU A 1 21 ? 0.21300   -1.10100  -9.89500  1.000 19.64744 ? 63  LEU A HG   1 
ATOM   320  H  HD11 . LEU A 1 21 ? -0.08100  -3.47800  -9.69600  1.000 21.98084 ? 63  LEU A HD11 1 
ATOM   321  H  HD12 . LEU A 1 21 ? 1.29100   -3.06700  -10.38400 1.000 21.98084 ? 63  LEU A HD12 1 
ATOM   322  H  HD13 . LEU A 1 21 ? 1.26900   -3.51200  -8.85900  1.000 21.98084 ? 63  LEU A HD13 1 
ATOM   323  H  HD21 . LEU A 1 21 ? -1.30000  -1.99600  -8.29200  1.000 19.57028 ? 63  LEU A HD21 1 
ATOM   324  H  HD22 . LEU A 1 21 ? -0.10800  -2.18900  -7.26000  1.000 19.57028 ? 63  LEU A HD22 1 
ATOM   325  H  HD23 . LEU A 1 21 ? -0.59500  -0.72700  -7.64800  1.000 19.57028 ? 63  LEU A HD23 1 
ATOM   326  N  N    . GLU A 1 22 ? 2.22200   0.09700   -12.05300 1.000 12.85948 ? 64  GLU A N    1 
ATOM   327  C  CA   . GLU A 1 22 ? 1.62100   0.98800   -13.02100 1.000 13.62416 ? 64  GLU A CA   1 
ATOM   328  C  C    . GLU A 1 22 ? 0.11300   0.80100   -13.01600 1.000 13.08571 ? 64  GLU A C    1 
ATOM   329  O  O    . GLU A 1 22 ? -0.37500  -0.34300  -12.93600 1.000 17.00595 ? 64  GLU A O    1 
ATOM   330  C  CB   . GLU A 1 22 ? 2.15700   0.71200   -14.42100 1.000 16.15222 ? 64  GLU A CB   1 
ATOM   331  C  CG   . GLU A 1 22 ? 3.66200   0.89300   -14.60100 1.000 21.81676 ? 64  GLU A CG   1 
ATOM   332  C  CD   . GLU A 1 22 ? 4.12300   0.68000   -16.04100 1.000 31.56060 ? 64  GLU A CD   1 
ATOM   333  O  OE1  . GLU A 1 22 ? 3.34800   0.18500   -16.88800 1.000 29.96797 ? 64  GLU A OE1  1 
ATOM   334  O  OE2  . GLU A 1 22 ? 5.28900   1.00900   -16.31700 1.000 29.79399 ? 64  GLU A OE2  1 
ATOM   335  H  H    . GLU A 1 22 ? 2.50400   -0.64000  -12.39500 1.000 15.44838 ? 64  GLU A H    1 
ATOM   336  H  HA   . GLU A 1 22 ? 1.83300   1.90400   -12.78200 1.000 16.36599 ? 64  GLU A HA   1 
ATOM   337  H  HB2  . GLU A 1 22 ? 1.94800   -0.20700  -14.65100 1.000 19.39967 ? 64  GLU A HB2  1 
ATOM   338  H  HB3  . GLU A 1 22 ? 1.71800   1.31700   -15.03900 1.000 19.39967 ? 64  GLU A HB3  1 
ATOM   339  H  HG2  . GLU A 1 22 ? 3.90400   1.79600   -14.34100 1.000 26.19711 ? 64  GLU A HG2  1 
ATOM   340  H  HG3  . GLU A 1 22 ? 4.12600   0.25100   -14.04100 1.000 26.19711 ? 64  GLU A HG3  1 
ATOM   341  N  N    . VAL A 1 23 ? -0.62200  1.91200   -12.97400 1.000 11.99401 ? 65  VAL A N    1 
ATOM   342  C  CA   . VAL A 1 23 ? -2.08000  1.94300   -12.87800 1.000 11.50943 ? 65  VAL A CA   1 
ATOM   343  C  C    . VAL A 1 23 ? -2.63700  2.99700   -13.80700 1.000 11.66418 ? 65  VAL A C    1 
ATOM   344  O  O    . VAL A 1 23 ? -1.95300  3.96900   -14.14300 1.000 11.59970 ? 65  VAL A O    1 
ATOM   345  C  CB   . VAL A 1 23 ? -2.53700  2.23900   -11.42600 1.000 12.65522 ? 65  VAL A CB   1 
ATOM   346  C  CG1  . VAL A 1 23 ? -2.05100  1.16000   -10.48900 1.000 13.12743 ? 65  VAL A CG1  1 
ATOM   347  C  CG2  . VAL A 1 23 ? -2.13300  3.60600   -10.93400 1.000 13.33951 ? 65  VAL A CG2  1 
ATOM   348  H  H    . VAL A 1 23 ? -0.28100  2.70100   -13.00100 1.000 14.40982 ? 65  VAL A H    1 
ATOM   349  H  HA   . VAL A 1 23 ? -2.43400  1.08500   -13.16100 1.000 13.82832 ? 65  VAL A HA   1 
ATOM   350  H  HB   . VAL A 1 23 ? -3.50700  2.23900   -11.43000 1.000 15.20327 ? 65  VAL A HB   1 
ATOM   351  H  HG11 . VAL A 1 23 ? -2.35700  1.36000   -9.59100  1.000 15.76992 ? 65  VAL A HG11 1 
ATOM   352  H  HG12 . VAL A 1 23 ? -2.40900  0.30600   -10.77800 1.000 15.76992 ? 65  VAL A HG12 1 
ATOM   353  H  HG13 . VAL A 1 23 ? -1.08100  1.13600   -10.51100 1.000 15.76992 ? 65  VAL A HG13 1 
ATOM   354  H  HG21 . VAL A 1 23 ? -2.33600  3.67400   -9.98800  1.000 16.02442 ? 65  VAL A HG21 1 
ATOM   355  H  HG22 . VAL A 1 23 ? -1.18100  3.72500   -11.07800 1.000 16.02442 ? 65  VAL A HG22 1 
ATOM   356  H  HG23 . VAL A 1 23 ? -2.62900  4.27800   -11.42800 1.000 16.02442 ? 65  VAL A HG23 1 
ATOM   357  N  N    . PRO A 1 24 ? -3.90400  2.87900   -14.20500 1.000 10.99995 ? 66  PRO A N    1 
ATOM   358  C  CA   . PRO A 1 24 ? -4.48000  3.90700   -15.09600 1.000 13.98503 ? 66  PRO A CA   1 
ATOM   359  C  C    . PRO A 1 24 ? -4.84000  5.16700   -14.30800 1.000 12.44538 ? 66  PRO A C    1 
ATOM   360  O  O    . PRO A 1 24 ? -5.40200  5.10600   -13.20900 1.000 13.43573 ? 66  PRO A O    1 
ATOM   361  C  CB   . PRO A 1 24 ? -5.72400  3.22500   -15.67300 1.000 12.35008 ? 66  PRO A CB   1 
ATOM   362  C  CG   . PRO A 1 24 ? -6.11300  2.15300   -14.60700 1.000 14.47090 ? 66  PRO A CG   1 
ATOM   363  C  CD   . PRO A 1 24 ? -4.78500  1.70000   -14.03700 1.000 12.69857 ? 66  PRO A CD   1 
ATOM   364  H  HA   . PRO A 1 24 ? -3.87600  4.13100   -15.82200 1.000 16.79904 ? 66  PRO A HA   1 
ATOM   365  H  HB2  . PRO A 1 24 ? -6.43500  3.87500   -15.79000 1.000 14.83709 ? 66  PRO A HB2  1 
ATOM   366  H  HB3  . PRO A 1 24 ? -5.51100  2.81000   -16.52400 1.000 14.83709 ? 66  PRO A HB3  1 
ATOM   367  H  HG2  . PRO A 1 24 ? -6.67000  2.55200   -13.92100 1.000 17.38208 ? 66  PRO A HG2  1 
ATOM   368  H  HG3  . PRO A 1 24 ? -6.58200  1.41700   -15.02900 1.000 17.38208 ? 66  PRO A HG3  1 
ATOM   369  H  HD2  . PRO A 1 24 ? -4.87500  1.47000   -13.09900 1.000 15.25528 ? 66  PRO A HD2  1 
ATOM   370  H  HD3  . PRO A 1 24 ? -4.44100  0.94100   -14.53300 1.000 15.25528 ? 66  PRO A HD3  1 
ATOM   371  N  N    . ALA A 1 25 ? -4.57100  6.32600   -14.87100 1.000 14.55685 ? 67  ALA A N    1 
ATOM   372  C  CA   . ALA A 1 25 ? -4.95500  7.59100   -14.30100 1.000 11.88958 ? 67  ALA A CA   1 
ATOM   373  C  C    . ALA A 1 25 ? -6.42300  7.87700   -14.61900 1.000 11.51511 ? 67  ALA A C    1 
ATOM   374  O  O    . ALA A 1 25 ? -7.00600  7.29200   -15.54200 1.000 13.45221 ? 67  ALA A O    1 
ATOM   375  C  CB   . ALA A 1 25 ? -4.09900  8.72400   -14.93000 1.000 15.58191 ? 67  ALA A CB   1 
ATOM   376  H  H    . ALA A 1 25 ? -4.14800  6.40900   -15.61500 1.000 17.48523 ? 67  ALA A H    1 
ATOM   377  H  HA   . ALA A 1 25 ? -4.82500  7.57200   -13.34000 1.000 14.28450 ? 67  ALA A HA   1 
ATOM   378  H  HB1  . ALA A 1 25 ? -4.35100  9.57000   -14.52800 1.000 18.71530 ? 67  ALA A HB1  1 
ATOM   379  H  HB2  . ALA A 1 25 ? -3.16100  8.54300   -14.75900 1.000 18.71530 ? 67  ALA A HB2  1 
ATOM   380  H  HB3  . ALA A 1 25 ? -4.26200  8.75000   -15.88600 1.000 18.71530 ? 67  ALA A HB3  1 
ATOM   381  N  N    . ASN A 1 26 ? -7.00100  8.74900   -13.82700 1.000 11.57838 ? 68  ASN A N    1 
ATOM   382  C  CA   . ASN A 1 26 ? -8.36200  9.22700   -14.03900 1.000 14.44935 ? 68  ASN A CA   1 
ATOM   383  C  C    . ASN A 1 26 ? -9.34700  8.07800   -14.10500 1.000 15.30934 ? 68  ASN A C    1 
ATOM   384  O  O    . ASN A 1 26 ? -10.34800 8.12700   -14.82200 1.000 17.25878 ? 68  ASN A O    1 
ATOM   385  C  CB   . ASN A 1 26 ? -8.47500  10.13000  -15.28600 1.000 18.46034 ? 68  ASN A CB   1 
ATOM   386  C  CG   . ASN A 1 26 ? -7.68600  11.40300  -15.12300 1.000 16.18168 ? 68  ASN A CG   1 
ATOM   387  O  OD1  . ASN A 1 26 ? -7.75500  12.10400  -14.13700 1.000 20.99104 ? 68  ASN A OD1  1 
ATOM   388  N  ND2  . ASN A 1 26 ? -6.99000  11.72600  -16.18400 1.000 19.63175 ? 68  ASN A ND2  1 
ATOM   389  H  H    . ASN A 1 26 ? -6.62100  9.09400   -13.13700 1.000 13.91106 ? 68  ASN A H    1 
ATOM   390  H  HA   . ASN A 1 26 ? -8.60800  9.77500   -13.27800 1.000 17.35622 ? 68  ASN A HA   1 
ATOM   391  H  HB2  . ASN A 1 26 ? -8.13100  9.65500   -16.05900 1.000 22.16942 ? 68  ASN A HB2  1 
ATOM   392  H  HB3  . ASN A 1 26 ? -9.40600  10.36400  -15.42900 1.000 22.16942 ? 68  ASN A HB3  1 
ATOM   393  H  HD21 . ASN A 1 26 ? -6.50800  12.43900  -16.18100 1.000 23.57510 ? 68  ASN A HD21 1 
ATOM   394  H  HD22 . ASN A 1 26 ? -7.01400  11.22600  -16.88300 1.000 23.57510 ? 68  ASN A HD22 1 
ATOM   395  N  N    . THR A 1 27 ? -9.11800  7.01800   -13.30500 1.000 13.48776 ? 69  THR A N    1 
ATOM   396  C  CA   . THR A 1 27 ? -9.88300  5.78100   -13.36700 1.000 13.09719 ? 69  THR A CA   1 
ATOM   397  C  C    . THR A 1 27 ? -10.07100 5.22400   -11.96000 1.000 12.88132 ? 69  THR A C    1 
ATOM   398  O  O    . THR A 1 27 ? -9.11400  5.13900   -11.18800 1.000 12.51635 ? 69  THR A O    1 
ATOM   399  C  CB   . THR A 1 27 ? -9.12200  4.76800   -14.18900 1.000 11.50348 ? 69  THR A CB   1 
ATOM   400  O  OG1  . THR A 1 27 ? -8.89300  5.32200   -15.50700 1.000 15.97520 ? 69  THR A OG1  1 
ATOM   401  C  CG2  . THR A 1 27 ? -9.81300  3.42800   -14.35100 1.000 16.11381 ? 69  THR A CG2  1 
ATOM   402  H  H    . THR A 1 27 ? -8.50400  7.00200   -12.70300 1.000 16.20232 ? 69  THR A H    1 
ATOM   403  H  HA   . THR A 1 27 ? -10.75900 5.94500   -13.74900 1.000 15.73363 ? 69  THR A HA   1 
ATOM   404  H  HB   . THR A 1 27 ? -8.29600  4.58300   -13.71400 1.000 13.82118 ? 69  THR A HB   1 
ATOM   405  H  HG1  . THR A 1 27 ? -8.43000  6.02100   -15.44800 1.000 19.18725 ? 69  THR A HG1  1 
ATOM   406  H  HG21 . THR A 1 27 ? -9.30300  2.86200   -14.95100 1.000 19.35357 ? 69  THR A HG21 1 
ATOM   407  H  HG22 . THR A 1 27 ? -9.88900  2.98800   -13.49100 1.000 19.35357 ? 69  THR A HG22 1 
ATOM   408  H  HG23 . THR A 1 27 ? -10.70200 3.55600   -14.71900 1.000 19.35357 ? 69  THR A HG23 1 
ATOM   409  N  N    . ARG A 1 28 ? -11.27900 4.78500   -11.67300 1.000 11.91678 ? 70  ARG A N    1 
ATOM   410  C  CA   . ARG A 1 28 ? -11.49800 4.05300   -10.42600 1.000 11.19780 ? 70  ARG A CA   1 
ATOM   411  C  C    . ARG A 1 28 ? -10.94600 2.62900   -10.53800 1.000 11.10374 ? 70  ARG A C    1 
ATOM   412  O  O    . ARG A 1 28 ? -11.18400 1.94000   -11.52300 1.000 11.72155 ? 70  ARG A O    1 
ATOM   413  C  CB   . ARG A 1 28 ? -13.00500 4.03200   -10.11900 1.000 12.90149 ? 70  ARG A CB   1 
ATOM   414  C  CG   . ARG A 1 28 ? -13.39600 3.24000   -8.86000  1.000 13.65253 ? 70  ARG A CG   1 
ATOM   415  C  CD   . ARG A 1 28 ? -14.90700 3.19300   -8.80400  1.000 16.16332 ? 70  ARG A CD   1 
ATOM   416  N  NE   . ARG A 1 28 ? -15.34500 2.25100   -7.76400  1.000 19.53483 ? 70  ARG A NE   1 
ATOM   417  C  CZ   . ARG A 1 28 ? -15.56000 2.61800   -6.51500  1.000 19.40249 ? 70  ARG A CZ   1 
ATOM   418  N  NH1  . ARG A 1 28 ? -15.38300 3.89600   -6.14300  1.000 20.63298 ? 70  ARG A NH1  1 
ATOM   419  N  NH2  . ARG A 1 28 ? -15.91700 1.67700   -5.62400  1.000 18.83873 ? 70  ARG A NH2  1 
ATOM   420  H  H    . ARG A 1 28 ? -11.97600 4.89000   -12.16500 1.000 14.31714 ? 70  ARG A H    1 
ATOM   421  H  HA   . ARG A 1 28 ? -11.03300 4.48900   -9.69300  1.000 13.45436 ? 70  ARG A HA   1 
ATOM   422  H  HB2  . ARG A 1 28 ? -13.30600 4.94600   -9.99400  1.000 15.49879 ? 70  ARG A HB2  1 
ATOM   423  H  HB3  . ARG A 1 28 ? -13.46700 3.63100   -10.87200 1.000 15.49879 ? 70  ARG A HB3  1 
ATOM   424  H  HG2  . ARG A 1 28 ? -13.04800 2.33600   -8.91000  1.000 16.40004 ? 70  ARG A HG2  1 
ATOM   425  H  HG3  . ARG A 1 28 ? -13.05800 3.68200   -8.06600  1.000 16.40004 ? 70  ARG A HG3  1 
ATOM   426  H  HD2  . ARG A 1 28 ? -15.25300 4.07400   -8.59100  1.000 19.41299 ? 70  ARG A HD2  1 
ATOM   427  H  HD3  . ARG A 1 28 ? -15.25700 2.89700   -9.65900  1.000 19.41299 ? 70  ARG A HD3  1 
ATOM   428  H  HE   . ARG A 1 28 ? -15.46700 1.42700   -7.97900  1.000 23.45880 ? 70  ARG A HE   1 
ATOM   429  H  HH11 . ARG A 1 28 ? -15.12800 4.48100   -6.72000  1.000 24.77658 ? 70  ARG A HH11 1 
ATOM   430  H  HH12 . ARG A 1 28 ? -15.52400 4.13000   -5.32700  1.000 24.77658 ? 70  ARG A HH12 1 
ATOM   431  H  HH21 . ARG A 1 28 ? -16.00000 0.85800   -5.87400  1.000 22.62348 ? 70  ARG A HH21 1 
ATOM   432  H  HH22 . ARG A 1 28 ? -16.06200 1.89300   -4.80500  1.000 22.62348 ? 70  ARG A HH22 1 
ATOM   433  N  N    . PHE A 1 29 ? -10.14700 2.20800   -9.54300  1.000 11.63480 ? 71  PHE A N    1 
ATOM   434  C  CA   . PHE A 1 29 ? -9.57000  0.87200   -9.56500  1.000 10.53613 ? 71  PHE A CA   1 
ATOM   435  C  C    . PHE A 1 29 ? -9.37500  0.36100   -8.16000  1.000 11.23866 ? 71  PHE A C    1 
ATOM   436  O  O    . PHE A 1 29 ? -9.55200  1.08900   -7.17100  1.000 10.86941 ? 71  PHE A O    1 
ATOM   437  C  CB   . PHE A 1 29 ? -8.24600  0.82300   -10.39100 1.000 11.66683 ? 71  PHE A CB   1 
ATOM   438  C  CG   . PHE A 1 29 ? -7.11400  1.57300   -9.79400  1.000 12.39872 ? 71  PHE A CG   1 
ATOM   439  C  CD1  . PHE A 1 29 ? -6.27700  0.98400   -8.86000  1.000 13.13801 ? 71  PHE A CD1  1 
ATOM   440  C  CD2  . PHE A 1 29 ? -6.85000  2.87900   -10.16900 1.000 12.78664 ? 71  PHE A CD2  1 
ATOM   441  C  CE1  . PHE A 1 29 ? -5.23500  1.66100   -8.30200  1.000 13.57910 ? 71  PHE A CE1  1 
ATOM   442  C  CE2  . PHE A 1 29 ? -5.82100  3.55200   -9.64400  1.000 14.06486 ? 71  PHE A CE2  1 
ATOM   443  C  CZ   . PHE A 1 29 ? -4.98400  2.94800   -8.70100  1.000 15.07966 ? 71  PHE A CZ   1 
ATOM   444  H  H    . PHE A 1 29 ? -9.93200  2.67900   -8.85600  1.000 13.97876 ? 71  PHE A H    1 
ATOM   445  H  HA   . PHE A 1 29 ? -10.20700 0.27600   -9.98900  1.000 12.66036 ? 71  PHE A HA   1 
ATOM   446  H  HB2  . PHE A 1 29 ? -7.96900  -0.10300  -10.47600 1.000 14.01720 ? 71  PHE A HB2  1 
ATOM   447  H  HB3  . PHE A 1 29 ? -8.41600  1.20100   -11.26800 1.000 14.01720 ? 71  PHE A HB3  1 
ATOM   448  H  HD1  . PHE A 1 29 ? -6.43000  0.10200   -8.60800  1.000 15.78261 ? 71  PHE A HD1  1 
ATOM   449  H  HD2  . PHE A 1 29 ? -7.39600  3.29400   -10.79700 1.000 15.36097 ? 71  PHE A HD2  1 
ATOM   450  H  HE1  . PHE A 1 29 ? -4.70100  1.25500   -7.65800  1.000 16.31192 ? 71  PHE A HE1  1 
ATOM   451  H  HE2  . PHE A 1 29 ? -5.66100  4.42900   -9.90800  1.000 16.89484 ? 71  PHE A HE2  1 
ATOM   452  H  HZ   . PHE A 1 29 ? -4.26200  3.41600   -8.34700  1.000 18.11259 ? 71  PHE A HZ   1 
ATOM   453  N  N    . ARG A 1 30 ? -9.08200  -0.93700  -8.06900  1.000 11.07006 ? 72  ARG A N    1 
ATOM   454  C  CA   . ARG A 1 30 ? -8.97600  -1.65300  -6.82500  1.000 11.17159 ? 72  ARG A CA   1 
ATOM   455  C  C    . ARG A 1 30 ? -7.54900  -2.14700  -6.64400  1.000 10.78131 ? 72  ARG A C    1 
ATOM   456  O  O    . ARG A 1 30 ? -6.90800  -2.56200  -7.60900  1.000 11.39625 ? 72  ARG A O    1 
ATOM   457  C  CB   . ARG A 1 30 ? -9.92700  -2.85500  -6.80000  1.000 16.32308 ? 72  ARG A CB   1 
ATOM   458  C  CG   . ARG A 1 30 ? -11.39500 -2.49400  -7.12700  1.000 17.29823 ? 72  ARG A CG   1 
ATOM   459  C  CD   . ARG A 1 30 ? -12.19700 -3.73100  -7.50000  1.000 23.47037 ? 72  ARG A CD   1 
ATOM   460  N  NE   . ARG A 1 30 ? -12.39300 -4.59600  -6.35000  1.000 32.13622 ? 72  ARG A NE   1 
ATOM   461  C  CZ   . ARG A 1 30 ? -12.07500 -5.88000  -6.31100  1.000 25.92216 ? 72  ARG A CZ   1 
ATOM   462  N  NH1  . ARG A 1 30 ? -11.52800 -6.48700  -7.35100  1.000 29.83103 ? 72  ARG A NH1  1 
ATOM   463  N  NH2  . ARG A 1 30 ? -12.32800 -6.57500  -5.19800  1.000 25.94611 ? 72  ARG A NH2  1 
ATOM   464  H  H    . ARG A 1 30 ? -8.93600  -1.43700  -8.75400  1.000 13.30108 ? 72  ARG A H    1 
ATOM   465  H  HA   . ARG A 1 30 ? -9.20000  -1.06300  -6.08800  1.000 13.42291 ? 72  ARG A HA   1 
ATOM   466  H  HB2  . ARG A 1 30 ? -9.62800  -3.50300  -7.45700  1.000 19.60470 ? 72  ARG A HB2  1 
ATOM   467  H  HB3  . ARG A 1 30 ? -9.90900  -3.24900  -5.91400  1.000 19.60470 ? 72  ARG A HB3  1 
ATOM   468  H  HG2  . ARG A 1 30 ? -11.80700 -2.08400  -6.35000  1.000 20.77488 ? 72  ARG A HG2  1 
ATOM   469  H  HG3  . ARG A 1 30 ? -11.41600 -1.87800  -7.87600  1.000 20.77488 ? 72  ARG A HG3  1 
ATOM   470  H  HD2  . ARG A 1 30 ? -13.06700 -3.46300  -7.83300  1.000 28.18144 ? 72  ARG A HD2  1 
ATOM   471  H  HD3  . ARG A 1 30 ? -11.72000 -4.23100  -8.18100  1.000 28.18144 ? 72  ARG A HD3  1 
ATOM   472  H  HE   . ARG A 1 30 ? -12.74100 -4.24900  -5.64400  1.000 38.58046 ? 72  ARG A HE   1 
ATOM   473  H  HH11 . ARG A 1 30 ? -11.37100 -6.04700  -8.07300  1.000 35.81424 ? 72  ARG A HH11 1 
ATOM   474  H  HH12 . ARG A 1 30 ? -11.32900 -7.32200  -7.30500  1.000 35.81424 ? 72  ARG A HH12 1 
ATOM   475  H  HH21 . ARG A 1 30 ? -12.69100 -6.18600  -4.52200  1.000 31.15233 ? 72  ARG A HH21 1 
ATOM   476  H  HH22 . ARG A 1 30 ? -12.12700 -7.41000  -5.15700  1.000 31.15233 ? 72  ARG A HH22 1 
ATOM   477  N  N    . ILE A 1 31 ? -7.07000  -2.22500  -5.41300  1.000 12.29229 ? 73  ILE A N    1 
ATOM   478  C  CA   . ILE A 1 31 ? -5.82700  -2.93400  -5.10600  1.000 12.14440 ? 73  ILE A CA   1 
ATOM   479  C  C    . ILE A 1 31 ? -6.09600  -3.91400  -3.97000  1.000 10.97645 ? 73  ILE A C    1 
ATOM   480  O  O    . ILE A 1 31 ? -6.49900  -3.49400  -2.87100  1.000 12.32026 ? 73  ILE A O    1 
ATOM   481  C  CB   . ILE A 1 31 ? -4.68100  -2.02600  -4.70900  1.000 13.33166 ? 73  ILE A CB   1 
ATOM   482  C  CG1  . ILE A 1 31 ? -4.50000  -0.89300  -5.68900  1.000 12.56989 ? 73  ILE A CG1  1 
ATOM   483  C  CG2  . ILE A 1 31 ? -3.38500  -2.83500  -4.62900  1.000 16.88655 ? 73  ILE A CG2  1 
ATOM   484  C  CD1  . ILE A 1 31 ? -3.32200  -0.01800  -5.28800  1.000 16.34804 ? 73  ILE A CD1  1 
ATOM   485  H  H    . ILE A 1 31 ? -7.44800  -1.87100  -4.72600  1.000 14.76774 ? 73  ILE A H    1 
ATOM   486  H  HA   . ILE A 1 31 ? -5.57200  -3.41900  -5.90600  1.000 14.59028 ? 73  ILE A HA   1 
ATOM   487  H  HB   . ILE A 1 31 ? -4.89700  -1.64600  -3.84300  1.000 16.01500 ? 73  ILE A HB   1 
ATOM   488  H  HG12 . ILE A 1 31 ? -4.33100  -1.25300  -6.57300  1.000 15.10088 ? 73  ILE A HG12 1 
ATOM   489  H  HG13 . ILE A 1 31 ? -5.30100  -0.34500  -5.70200  1.000 15.10088 ? 73  ILE A HG13 1 
ATOM   490  H  HG21 . ILE A 1 31 ? -2.75100  -2.36000  -4.06900  1.000 20.28086 ? 73  ILE A HG21 1 
ATOM   491  H  HG22 . ILE A 1 31 ? -3.57900  -3.70500  -4.24700  1.000 20.28086 ? 73  ILE A HG22 1 
ATOM   492  H  HG23 . ILE A 1 31 ? -3.02300  -2.94000  -5.52300  1.000 20.28086 ? 73  ILE A HG23 1 
ATOM   493  H  HD11 . ILE A 1 31 ? -3.40900  0.84600   -5.71900  1.000 19.63465 ? 73  ILE A HD11 1 
ATOM   494  H  HD12 . ILE A 1 31 ? -3.32300  0.09100   -4.32400  1.000 19.63465 ? 73  ILE A HD12 1 
ATOM   495  H  HD13 . ILE A 1 31 ? -2.50000  -0.44700  -5.57200  1.000 19.63465 ? 73  ILE A HD13 1 
ATOM   496  N  N    . GLU A 1 32 ? -5.88600  -5.17300  -4.21400  1.000 11.42302 ? 74  GLU A N    1 
ATOM   497  C  CA   . GLU A 1 32 ? -5.93500  -6.21600  -3.19200  1.000 9.97427  ? 74  GLU A CA   1 
ATOM   498  C  C    . GLU A 1 32 ? -4.66200  -6.08600  -2.40100  1.000 10.24652 ? 74  GLU A C    1 
ATOM   499  O  O    . GLU A 1 32 ? -3.56500  -6.25100  -2.95200  1.000 12.89100 ? 74  GLU A O    1 
ATOM   500  C  CB   . GLU A 1 32 ? -5.98900  -7.58200  -3.87900  1.000 13.78682 ? 74  GLU A CB   1 
ATOM   501  C  CG   . GLU A 1 32 ? -7.26800  -7.87100  -4.62600  1.000 15.89501 ? 74  GLU A CG   1 
ATOM   502  C  CD   . GLU A 1 32 ? -7.23800  -9.10200  -5.54000  1.000 22.06552 ? 74  GLU A CD   1 
ATOM   503  O  OE1  . GLU A 1 32 ? -6.13600  -9.52100  -6.01400  1.000 22.71848 ? 74  GLU A OE1  1 
ATOM   504  O  OE2  . GLU A 1 32 ? -8.33200  -9.64400  -5.83100  1.000 27.50236 ? 74  GLU A OE2  1 
ATOM   505  H  H    . GLU A 1 32 ? -5.70300  -5.48200  -4.99500  1.000 13.72462 ? 74  GLU A H    1 
ATOM   506  H  HA   . GLU A 1 32 ? -6.71100  -6.13300  -2.61600  1.000 11.98613 ? 74  GLU A HA   1 
ATOM   507  H  HB2  . GLU A 1 32 ? -5.26200  -7.63300  -4.51900  1.000 16.56119 ? 74  GLU A HB2  1 
ATOM   508  H  HB3  . GLU A 1 32 ? -5.88600  -8.27000  -3.20300  1.000 16.56119 ? 74  GLU A HB3  1 
ATOM   509  H  HG2  . GLU A 1 32 ? -7.97500  -8.01100  -3.97800  1.000 19.09101 ? 74  GLU A HG2  1 
ATOM   510  H  HG3  . GLU A 1 32 ? -7.47600  -7.10400  -5.18300  1.000 19.09101 ? 74  GLU A HG3  1 
ATOM   511  N  N    . LEU A 1 33 ? -4.75900  -5.79600  -1.12600  1.000 10.22047 ? 75  LEU A N    1 
ATOM   512  C  CA   . LEU A 1 33 ? -3.62500  -5.63100  -0.24300  1.000 10.06174 ? 75  LEU A CA   1 
ATOM   513  C  C    . LEU A 1 33 ? -3.55300  -6.87300  0.62200   1.000 11.68911 ? 75  LEU A C    1 
ATOM   514  O  O    . LEU A 1 33 ? -4.41300  -7.10100  1.47700   1.000 13.00474 ? 75  LEU A O    1 
ATOM   515  C  CB   . LEU A 1 33 ? -3.84600  -4.42100  0.65400   1.000 11.92297 ? 75  LEU A CB   1 
ATOM   516  C  CG   . LEU A 1 33 ? -3.98800  -3.09100  -0.08900  1.000 10.76057 ? 75  LEU A CG   1 
ATOM   517  C  CD1  . LEU A 1 33 ? -4.22900  -2.00100  1.02700   1.000 14.14575 ? 75  LEU A CD1  1 
ATOM   518  C  CD2  . LEU A 1 33 ? -2.84600  -2.70500  -0.94600  1.000 14.76157 ? 75  LEU A CD2  1 
ATOM   519  H  H    . LEU A 1 33 ? -5.51100  -5.68400  -0.72400  1.000 12.28157 ? 75  LEU A H    1 
ATOM   520  H  HA   . LEU A 1 33 ? -2.80900  -5.52200  -0.75700  1.000 12.09109 ? 75  LEU A HA   1 
ATOM   521  H  HB2  . LEU A 1 33 ? -4.66000  -4.56000  1.16300   1.000 14.32457 ? 75  LEU A HB2  1 
ATOM   522  H  HB3  . LEU A 1 33 ? -3.08900  -4.34100  1.25500   1.000 14.32457 ? 75  LEU A HB3  1 
ATOM   523  H  HG   . LEU A 1 33 ? -4.71800  -3.16700  -0.72200  1.000 12.92969 ? 75  LEU A HG   1 
ATOM   524  H  HD11 . LEU A 1 33 ? -4.41000  -1.14800  0.60100   1.000 16.99190 ? 75  LEU A HD11 1 
ATOM   525  H  HD12 . LEU A 1 33 ? -4.98700  -2.26700  1.57000   1.000 16.99190 ? 75  LEU A HD12 1 
ATOM   526  H  HD13 . LEU A 1 33 ? -3.43400  -1.93300  1.57900   1.000 16.99190 ? 75  LEU A HD13 1 
ATOM   527  H  HD21 . LEU A 1 33 ? -3.05800  -1.87400  -1.39900  1.000 17.73088 ? 75  LEU A HD21 1 
ATOM   528  H  HD22 . LEU A 1 33 ? -2.05900  -2.58800  -0.39100  1.000 17.73088 ? 75  LEU A HD22 1 
ATOM   529  H  HD23 . LEU A 1 33 ? -2.68900  -3.40600  -1.59800  1.000 17.73088 ? 75  LEU A HD23 1 
ATOM   530  N  N    . VAL A 1 34 ? -2.51200  -7.66400  0.45900   1.000 9.94645  ? 76  VAL A N    1 
ATOM   531  C  CA   . VAL A 1 34 ? -2.41000  -8.94900  1.12200   1.000 10.20621 ? 76  VAL A CA   1 
ATOM   532  C  C    . VAL A 1 34 ? -1.21900  -8.90500  2.06000   1.000 10.18507 ? 76  VAL A C    1 
ATOM   533  O  O    . VAL A 1 34 ? -0.08200  -8.70100  1.64100   1.000 12.57849 ? 76  VAL A O    1 
ATOM   534  C  CB   . VAL A 1 34 ? -2.15900  -10.07200 0.09000   1.000 12.76597 ? 76  VAL A CB   1 
ATOM   535  C  CG1  . VAL A 1 34 ? -2.28300  -11.45500 0.78800   1.000 15.30333 ? 76  VAL A CG1  1 
ATOM   536  C  CG2  . VAL A 1 34 ? -3.10000  -9.97800  -1.10700  1.000 17.83731 ? 76  VAL A CG2  1 
ATOM   537  H  H    . VAL A 1 34 ? -1.83900  -7.47500  -0.04200  1.000 11.95275 ? 76  VAL A H    1 
ATOM   538  H  HA   . VAL A 1 34 ? -3.22300  -9.10900  1.62500   1.000 12.26445 ? 76  VAL A HA   1 
ATOM   539  H  HB   . VAL A 1 34 ? -1.26100  -9.97000  -0.26200  1.000 15.33617 ? 76  VAL A HB   1 
ATOM   540  H  HG11 . VAL A 1 34 ? -2.15800  -12.15500 0.12800   1.000 18.38100 ? 76  VAL A HG11 1 
ATOM   541  H  HG12 . VAL A 1 34 ? -1.60300  -11.52400 1.47700   1.000 18.38100 ? 76  VAL A HG12 1 
ATOM   542  H  HG13 . VAL A 1 34 ? -3.16500  -11.53000 1.18600   1.000 18.38100 ? 76  VAL A HG13 1 
ATOM   543  H  HG21 . VAL A 1 34 ? -2.96000  -10.74900 -1.68000  1.000 21.42177 ? 76  VAL A HG21 1 
ATOM   544  H  HG22 . VAL A 1 34 ? -4.01600  -9.96500  -0.78800  1.000 21.42177 ? 76  VAL A HG22 1 
ATOM   545  H  HG23 . VAL A 1 34 ? -2.90800  -9.16300  -1.59700  1.000 21.42177 ? 76  VAL A HG23 1 
ATOM   546  N  N    . ASN A 1 35 ? -1.48000  -9.04400  3.36000   1.000 9.51375  ? 77  ASN A N    1 
ATOM   547  C  CA   . ASN A 1 35 ? -0.41900  -8.98200  4.37000   1.000 9.51241  ? 77  ASN A CA   1 
ATOM   548  C  C    . ASN A 1 35 ? -0.11400  -10.42700 4.77400   1.000 12.81161 ? 77  ASN A C    1 
ATOM   549  O  O    . ASN A 1 35 ? -0.87800  -11.08800 5.50500   1.000 13.08760 ? 77  ASN A O    1 
ATOM   550  C  CB   . ASN A 1 35 ? -0.91600  -8.19800  5.58900   1.000 7.75553  ? 77  ASN A CB   1 
ATOM   551  C  CG   . ASN A 1 35 ? 0.17300   -8.06200  6.60900   1.000 10.65327 ? 77  ASN A CG   1 
ATOM   552  O  OD1  . ASN A 1 35 ? 1.20100   -8.71800  6.57900   1.000 13.09326 ? 77  ASN A OD1  1 
ATOM   553  N  ND2  . ASN A 1 35 ? -0.06000  -7.21400  7.58300   1.000 9.26301  ? 77  ASN A ND2  1 
ATOM   554  H  H    . ASN A 1 35 ? -2.26600  -9.17500  3.68400   1.000 11.43350 ? 77  ASN A H    1 
ATOM   555  H  HA   . ASN A 1 35 ? 0.37400   -8.55900  4.00500   1.000 11.43190 ? 77  ASN A HA   1 
ATOM   556  H  HB2  . ASN A 1 35 ? -1.19300  -7.31000  5.31200   1.000 9.32363  ? 77  ASN A HB2  1 
ATOM   557  H  HB3  . ASN A 1 35 ? -1.66200  -8.66700  5.99400   1.000 9.32363  ? 77  ASN A HB3  1 
ATOM   558  H  HD21 . ASN A 1 35 ? 0.52800   -7.09400  8.19800   1.000 11.13262 ? 77  ASN A HD21 1 
ATOM   559  H  HD22 . ASN A 1 35 ? -0.80100  -6.77800  7.60500   1.000 11.13262 ? 77  ASN A HD22 1 
ATOM   560  N  N    . THR A 1 36 ? 0.99800   -10.91700 4.23100   1.000 12.01200 ? 78  THR A N    1 
ATOM   561  C  CA   . THR A 1 36 ? 1.52700   -12.26400 4.51900   1.000 12.98938 ? 78  THR A CA   1 
ATOM   562  C  C    . THR A 1 36 ? 2.55700   -12.24000 5.63200   1.000 17.53541 ? 78  THR A C    1 
ATOM   563  O  O    . THR A 1 36 ? 3.18100   -13.27100 5.91200   1.000 18.20259 ? 78  THR A O    1 
ATOM   564  C  CB   . THR A 1 36 ? 2.14100   -12.91200 3.27900   1.000 16.20959 ? 78  THR A CB   1 
ATOM   565  O  OG1  . THR A 1 36 ? 3.20700   -12.07200 2.84600   1.000 16.32650 ? 78  THR A OG1  1 
ATOM   566  C  CG2  . THR A 1 36 ? 1.05800   -13.10900 2.25300   1.000 15.91828 ? 78  THR A CG2  1 
ATOM   567  H  H    . THR A 1 36 ? 1.48500   -10.47900 3.67300   1.000 14.43140 ? 78  THR A H    1 
ATOM   568  H  HA   . THR A 1 36 ? 0.77800   -12.81900 4.78500   1.000 15.60426 ? 78  THR A HA   1 
ATOM   569  H  HB   . THR A 1 36 ? 2.51600   -13.79200 3.43800   1.000 19.46851 ? 78  THR A HB   1 
ATOM   570  H  HG1  . THR A 1 36 ? 3.57000   -12.39800 2.16200   1.000 19.60880 ? 78  THR A HG1  1 
ATOM   571  H  HG21 . THR A 1 36 ? 1.40900   -13.59400 1.48900   1.000 19.11894 ? 78  THR A HG21 1 
ATOM   572  H  HG22 . THR A 1 36 ? 0.32500   -13.61500 2.63700   1.000 19.11894 ? 78  THR A HG22 1 
ATOM   573  H  HG23 . THR A 1 36 ? 0.72400   -12.24900 1.95300   1.000 19.11894 ? 78  THR A HG23 1 
ATOM   574  N  N    . GLY A 1 37 ? 2.78500   -11.09200 6.27500   1.000 14.57358 ? 79  GLY A N    1 
ATOM   575  C  CA   . GLY A 1 37 ? 3.71300   -11.02500 7.39000   1.000 15.06502 ? 79  GLY A CA   1 
ATOM   576  C  C    . GLY A 1 37 ? 3.11200   -11.36000 8.75200   1.000 15.26433 ? 79  GLY A C    1 
ATOM   577  O  O    . GLY A 1 37 ? 1.95800   -11.74400 8.88900   1.000 19.03110 ? 79  GLY A O    1 
ATOM   578  H  H    . GLY A 1 37 ? 2.41200   -10.34200 6.08000   1.000 17.50529 ? 79  GLY A H    1 
ATOM   579  H  HA2  . GLY A 1 37 ? 4.43900   -11.64800 7.22800   1.000 18.09502 ? 79  GLY A HA2  1 
ATOM   580  H  HA3  . GLY A 1 37 ? 4.07400   -10.12600 7.44100   1.000 18.09502 ? 79  GLY A HA3  1 
ATOM   581  N  N    . SER A 1 38 ? 3.89100   -11.09800 9.77300   1.000 14.19112 ? 80  SER A N    1 
ATOM   582  C  CA   . SER A 1 38 ? 3.47700   -11.44300 11.12500  1.000 15.61374 ? 80  SER A CA   1 
ATOM   583  C  C    . SER A 1 38 ? 2.96600   -10.25700 11.91900  1.000 15.09050 ? 80  SER A C    1 
ATOM   584  O  O    . SER A 1 38 ? 2.46700   -10.44900 13.03400  1.000 17.05695 ? 80  SER A O    1 
ATOM   585  C  CB   . SER A 1 38 ? 4.62600   -12.11700 11.89300  1.000 23.30090 ? 80  SER A CB   1 
ATOM   586  O  OG   . SER A 1 38 ? 5.66200   -11.19700 12.08600  1.000 26.77217 ? 80  SER A OG   1 
ATOM   587  H  H    . SER A 1 38 ? 4.66200   -10.72100 9.71700   1.000 17.04634 ? 80  SER A H    1 
ATOM   588  H  HA   . SER A 1 38 ? 2.75500   -12.08800 11.06200  1.000 18.75349 ? 80  SER A HA   1 
ATOM   589  H  HB2  . SER A 1 38 ? 4.30100   -12.42000 12.75500  1.000 27.97809 ? 80  SER A HB2  1 
ATOM   590  H  HB3  . SER A 1 38 ? 4.95700   -12.87000 11.37900  1.000 27.97809 ? 80  SER A HB3  1 
ATOM   591  H  HG   . SER A 1 38 ? 6.28400   -11.55300 12.52400  1.000 32.14361 ? 80  SER A HG   1 
ATOM   592  N  N    . MET A 1 39 ? 3.07500   -9.01800  11.41300  1.000 14.18851 ? 81  MET A N    1 
ATOM   593  C  CA   A MET A 1 39 ? 2.67100   -7.80200  12.05500  0.610 14.77237 ? 81  MET A CA   1 
ATOM   594  C  CA   B MET A 1 39 ? 2.67400   -7.80100  12.05300  0.390 14.89915 ? 81  MET A CA   1 
ATOM   595  C  C    . MET A 1 39 ? 1.65400   -7.10400  11.17100  1.000 11.59338 ? 81  MET A C    1 
ATOM   596  O  O    . MET A 1 39 ? 1.74000   -7.21700  9.94700   1.000 12.01123 ? 81  MET A O    1 
ATOM   597  C  CB   A MET A 1 39 ? 3.86400   -6.86200  12.25200  0.610 17.79613 ? 81  MET A CB   1 
ATOM   598  C  CB   B MET A 1 39 ? 3.88100   -6.87200  12.22500  0.390 17.80772 ? 81  MET A CB   1 
ATOM   599  C  CG   A MET A 1 39 ? 4.92000   -7.39100  13.21400  0.610 24.02787 ? 81  MET A CG   1 
ATOM   600  C  CG   B MET A 1 39 ? 4.98100   -7.43100  13.11400  0.390 23.90356 ? 81  MET A CG   1 
ATOM   601  S  SD   A MET A 1 39 ? 6.19900   -6.15900  13.53000  0.610 26.88683 ? 81  MET A SD   1 
ATOM   602  S  SD   B MET A 1 39 ? 4.43800   -7.75500  14.79200  0.390 33.61159 ? 81  MET A SD   1 
ATOM   603  C  CE   A MET A 1 39 ? 5.24800   -4.81700  14.26600  0.610 21.14598 ? 81  MET A CE   1 
ATOM   604  C  CE   B MET A 1 39 ? 3.93000   -6.13000  15.33600  0.390 23.38047 ? 81  MET A CE   1 
ATOM   605  H  H    . MET A 1 39 ? 3.40900   -8.86700  10.63500  1.000 17.04321 ? 81  MET A H    1 
ATOM   606  H  HA   . MET A 1 39 ? 2.29400   -7.99600  12.92700  1.000 17.89598 ? 81  MET A HA   1 
ATOM   607  H  HB2  A MET A 1 39 ? 4.29200   -6.72000  11.39400  0.610 21.37235 ? 81  MET A HB2  1 
ATOM   608  H  HB2  B MET A 1 39 ? 4.26700   -6.70200  11.35100  0.390 21.38626 ? 81  MET A HB2  1 
ATOM   609  H  HB3  A MET A 1 39 ? 3.54000   -6.01900  12.60500  0.610 21.37235 ? 81  MET A HB3  1 
ATOM   610  H  HB3  B MET A 1 39 ? 3.57800   -6.04000  12.62100  0.390 21.38626 ? 81  MET A HB3  1 
ATOM   611  H  HG2  A MET A 1 39 ? 4.50000   -7.61800  14.05900  0.610 28.85045 ? 81  MET A HG2  1 
ATOM   612  H  HG2  B MET A 1 39 ? 5.29600   -8.26700  12.73600  0.390 28.70128 ? 81  MET A HG2  1 
ATOM   613  H  HG3  A MET A 1 39 ? 5.34000   -8.17600  12.83100  0.610 28.85045 ? 81  MET A HG3  1 
ATOM   614  H  HG3  B MET A 1 39 ? 5.70800   -6.79100  13.15400  0.390 28.70128 ? 81  MET A HG3  1 
ATOM   615  H  HE1  A MET A 1 39 ? 5.85700   -4.20500  14.70800  0.610 25.39218 ? 81  MET A HE1  1 
ATOM   616  H  HE1  B MET A 1 39 ? 3.42700   -6.21600  16.16100  0.390 28.07357 ? 81  MET A HE1  1 
ATOM   617  H  HE2  A MET A 1 39 ? 4.76300   -4.35300  13.56500  0.610 25.39218 ? 81  MET A HE2  1 
ATOM   618  H  HE2  B MET A 1 39 ? 4.71900   -5.58600  15.48500  0.390 28.07357 ? 81  MET A HE2  1 
ATOM   619  H  HE3  A MET A 1 39 ? 4.62500   -5.18800  14.91000  0.610 25.39218 ? 81  MET A HE3  1 
ATOM   620  H  HE3  B MET A 1 39 ? 3.37500   -5.72700  14.65000  0.390 28.07357 ? 81  MET A HE3  1 
ATOM   621  N  N    . PRO A 1 40 ? 0.72800   -6.34500  11.73200  1.000 11.36832 ? 82  PRO A N    1 
ATOM   622  C  CA   . PRO A 1 40 ? -0.11200  -5.48000  10.89200  1.000 12.12557 ? 82  PRO A CA   1 
ATOM   623  C  C    . PRO A 1 40 ? 0.71700   -4.51300  10.09300  1.000 10.96197 ? 82  PRO A C    1 
ATOM   624  O  O    . PRO A 1 40 ? 1.82500   -4.17200  10.48200  1.000 10.92354 ? 82  PRO A O    1 
ATOM   625  C  CB   . PRO A 1 40 ? -1.01900  -4.73700  11.88700  1.000 10.75242 ? 82  PRO A CB   1 
ATOM   626  C  CG   . PRO A 1 40 ? -0.25400  -4.84300  13.19400  1.000 19.60197 ? 82  PRO A CG   1 
ATOM   627  C  CD   . PRO A 1 40 ? 0.50300   -6.16800  13.16200  1.000 11.20476 ? 82  PRO A CD   1 
ATOM   628  H  HA   . PRO A 1 40 ? -0.65800  -6.02200  10.30100  1.000 14.56768 ? 82  PRO A HA   1 
ATOM   629  H  HB2  . PRO A 1 40 ? -1.13100  -3.81200  11.61600  1.000 12.91990 ? 82  PRO A HB2  1 
ATOM   630  H  HB3  . PRO A 1 40 ? -1.88300  -5.17300  11.94600  1.000 12.91990 ? 82  PRO A HB3  1 
ATOM   631  H  HG2  . PRO A 1 40 ? 0.36600   -4.10000  13.26700  1.000 23.53936 ? 82  PRO A HG2  1 
ATOM   632  H  HG3  . PRO A 1 40 ? -0.87900  -4.82700  13.93600  1.000 23.53936 ? 82  PRO A HG3  1 
ATOM   633  H  HD2  . PRO A 1 40 ? 1.34200   -6.10600  13.64500  1.000 13.46271 ? 82  PRO A HD2  1 
ATOM   634  H  HD3  . PRO A 1 40 ? -0.03500  -6.88900  13.52500  1.000 13.46271 ? 82  PRO A HD3  1 
ATOM   635  N  N    . ALA A 1 41 ? 0.14100   -4.11100  8.98500   1.000 9.62639  ? 83  ALA A N    1 
ATOM   636  C  CA   . ALA A 1 41 ? 0.76000   -3.19000  8.04800   1.000 10.71400 ? 83  ALA A CA   1 
ATOM   637  C  C    . ALA A 1 41 ? -0.21400  -2.07000  7.84400   1.000 9.84421  ? 83  ALA A C    1 
ATOM   638  O  O    . ALA A 1 41 ? -1.42300  -2.22000  7.98600   1.000 10.26722 ? 83  ALA A O    1 
ATOM   639  C  CB   . ALA A 1 41 ? 1.09000   -3.89400  6.71800   1.000 10.25796 ? 83  ALA A CB   1 
ATOM   640  H  H    . ALA A 1 41 ? -0.64300  -4.36600  8.73800   1.000 11.56867 ? 83  ALA A H    1 
ATOM   641  H  HA   . ALA A 1 41 ? 1.59500   -2.82900  8.38700   1.000 12.87380 ? 83  ALA A HA   1 
ATOM   642  H  HB1  . ALA A 1 41 ? 1.49100   -3.25200  6.11200   1.000 12.32655 ? 83  ALA A HB1  1 
ATOM   643  H  HB2  . ALA A 1 41 ? 1.71100   -4.61900  6.89000   1.000 12.32655 ? 83  ALA A HB2  1 
ATOM   644  H  HB3  . ALA A 1 41 ? 0.27100   -4.24400  6.33500   1.000 12.32655 ? 83  ALA A HB3  1 
ATOM   645  N  N    . GLU A 1 42 ? 0.28300   -0.94900  7.36100   1.000 9.79295  ? 84  GLU A N    1 
ATOM   646  C  CA   . GLU A 1 42 ? -0.55300  0.18900   6.92700   1.000 11.00166 ? 84  GLU A CA   1 
ATOM   647  C  C    . GLU A 1 42 ? -0.05600  0.74700   5.59900   1.000 11.29297 ? 84  GLU A C    1 
ATOM   648  O  O    . GLU A 1 42 ? 0.99600   1.38200   5.56700   1.000 11.66693 ? 84  GLU A O    1 
ATOM   649  C  CB   . GLU A 1 42 ? -0.61800  1.28400   7.99000   1.000 11.87827 ? 84  GLU A CB   1 
ATOM   650  C  CG   . GLU A 1 42 ? -1.66700  2.34400   7.65000   1.000 14.23461 ? 84  GLU A CG   1 
ATOM   651  C  CD   . GLU A 1 42 ? -1.68400  3.54200   8.57900   1.000 17.14741 ? 84  GLU A CD   1 
ATOM   652  O  OE1  . GLU A 1 42 ? -0.59400  4.09400   8.84900   1.000 15.66136 ? 84  GLU A OE1  1 
ATOM   653  O  OE2  . GLU A 1 42 ? -2.80300  3.95000   8.98600   1.000 22.44851 ? 84  GLU A OE2  1 
ATOM   654  H  H    . GLU A 1 42 ? 1.12600   -0.80400  7.26600   1.000 11.76855 ? 84  GLU A H    1 
ATOM   655  H  HA   . GLU A 1 42 ? -1.44800  -0.15300  6.77400   1.000 13.21899 ? 84  GLU A HA   1 
ATOM   656  H  HB2  . GLU A 1 42 ? -0.85100  0.88700   8.84400   1.000 14.27093 ? 84  GLU A HB2  1 
ATOM   657  H  HB3  . GLU A 1 42 ? 0.24600   1.72000   8.05200   1.000 14.27093 ? 84  GLU A HB3  1 
ATOM   658  H  HG2  . GLU A 1 42 ? -1.49500  2.67300   6.75400   1.000 17.09853 ? 84  GLU A HG2  1 
ATOM   659  H  HG3  . GLU A 1 42 ? -2.54500  1.93300   7.69000   1.000 17.09853 ? 84  GLU A HG3  1 
ATOM   660  N  N    . PHE A 1 43 ? -0.80700  0.53300   4.52900   1.000 9.85890  ? 85  PHE A N    1 
ATOM   661  C  CA   . PHE A 1 43 ? -0.52800  1.25600   3.30000   1.000 9.67753  ? 85  PHE A CA   1 
ATOM   662  C  C    . PHE A 1 43 ? -0.66100  2.73300   3.58200   1.000 11.26501 ? 85  PHE A C    1 
ATOM   663  O  O    . PHE A 1 43 ? -1.67100  3.17400   4.13700   1.000 11.03551 ? 85  PHE A O    1 
ATOM   664  C  CB   . PHE A 1 43 ? -1.55100  0.83300   2.24400   1.000 11.85889 ? 85  PHE A CB   1 
ATOM   665  C  CG   . PHE A 1 43 ? -1.46800  1.58500   0.96100   1.000 11.43105 ? 85  PHE A CG   1 
ATOM   666  C  CD1  . PHE A 1 43 ? -1.90000  2.89700   0.85600   1.000 15.96003 ? 85  PHE A CD1  1 
ATOM   667  C  CD2  . PHE A 1 43 ? -0.88100  1.00600   -0.20100  1.000 15.04229 ? 85  PHE A CD2  1 
ATOM   668  C  CE1  . PHE A 1 43 ? -1.79300  3.61100   -0.34400  1.000 17.72180 ? 85  PHE A CE1  1 
ATOM   669  C  CE2  . PHE A 1 43 ? -0.79600  1.74700   -1.38200  1.000 14.89507 ? 85  PHE A CE2  1 
ATOM   670  C  CZ   . PHE A 1 43 ? -1.22200  3.01700   -1.43300  1.000 16.00423 ? 85  PHE A CZ   1 
ATOM   671  H  H    . PHE A 1 43 ? -1.46900  -0.01400  4.49000   1.000 11.84769 ? 85  PHE A H    1 
ATOM   672  H  HA   . PHE A 1 43 ? 0.36300   1.06700   2.96600   1.000 11.63004 ? 85  PHE A HA   1 
ATOM   673  H  HB2  . PHE A 1 43 ? -1.41500  -0.10600  2.04100   1.000 14.24767 ? 85  PHE A HB2  1 
ATOM   674  H  HB3  . PHE A 1 43 ? -2.44100  0.96800   2.60500   1.000 14.24767 ? 85  PHE A HB3  1 
ATOM   675  H  HD1  . PHE A 1 43 ? -2.27100  3.31400   1.60100   1.000 19.16904 ? 85  PHE A HD1  1 
ATOM   676  H  HD2  . PHE A 1 43 ? -0.55400  0.13600   -0.17300  1.000 18.06775 ? 85  PHE A HD2  1 
ATOM   677  H  HE1  . PHE A 1 43 ? -2.10800  4.48500   -0.39900  1.000 21.28316 ? 85  PHE A HE1  1 
ATOM   678  H  HE2  . PHE A 1 43 ? -0.43900  1.35300   -2.14500  1.000 17.89108 ? 85  PHE A HE2  1 
ATOM   679  H  HZ   . PHE A 1 43 ? -1.12700  3.50000   -2.22100  1.000 19.22208 ? 85  PHE A HZ   1 
ATOM   680  N  N    . GLU A 1 44 ? 0.35800   3.51200   3.26700   1.000 11.18623 ? 86  GLU A N    1 
ATOM   681  C  CA   . GLU A 1 44 ? 0.26200   4.94400   3.43200   1.000 11.11743 ? 86  GLU A CA   1 
ATOM   682  C  C    . GLU A 1 44 ? 0.95900   5.65200   2.29300   1.000 11.90222 ? 86  GLU A C    1 
ATOM   683  O  O    . GLU A 1 44 ? 2.09000   5.33000   1.91800   1.000 11.05333 ? 86  GLU A O    1 
ATOM   684  C  CB   . GLU A 1 44 ? 0.91200   5.36300   4.73900   1.000 13.15237 ? 86  GLU A CB   1 
ATOM   685  C  CG   . GLU A 1 44 ? 0.84700   6.86800   4.98300   1.000 14.37225 ? 86  GLU A CG   1 
ATOM   686  C  CD   . GLU A 1 44 ? 0.84900   7.20100   6.48100   1.000 18.48661 ? 86  GLU A CD   1 
ATOM   687  O  OE1  . GLU A 1 44 ? 0.42000   6.34400   7.30500   1.000 18.62845 ? 86  GLU A OE1  1 
ATOM   688  O  OE2  . GLU A 1 44 ? 1.28200   8.34300   6.85900   1.000 25.72221 ? 86  GLU A OE2  1 
ATOM   689  H  H    . GLU A 1 44 ? 1.11100   3.23300   2.95800   1.000 13.44047 ? 86  GLU A H    1 
ATOM   690  H  HA   . GLU A 1 44 ? -0.67300  5.20200   3.41900   1.000 13.35792 ? 86  GLU A HA   1 
ATOM   691  H  HB2  . GLU A 1 44 ? 0.45600   4.92100   5.47200   1.000 15.79985 ? 86  GLU A HB2  1 
ATOM   692  H  HB3  . GLU A 1 44 ? 1.84600   5.10200   4.72300   1.000 15.79985 ? 86  GLU A HB3  1 
ATOM   693  H  HG2  . GLU A 1 44 ? 1.62000   7.29200   4.57700   1.000 17.26371 ? 86  GLU A HG2  1 
ATOM   694  H  HG3  . GLU A 1 44 ? 0.03200   7.22100   4.59400   1.000 17.26371 ? 86  GLU A HG3  1 
ATOM   695  N  N    . SER A 1 45 ? 0.27900   6.61600   1.70100   1.000 13.05132 ? 87  SER A N    1 
ATOM   696  C  CA   . SER A 1 45 ? 0.85600   7.55900   0.76100   1.000 12.35243 ? 87  SER A CA   1 
ATOM   697  C  C    . SER A 1 45 ? 0.62900   8.97800   1.25300   1.000 13.97714 ? 87  SER A C    1 
ATOM   698  O  O    . SER A 1 45 ? -0.51800  9.36900   1.47500   1.000 16.26931 ? 87  SER A O    1 
ATOM   699  C  CB   . SER A 1 45 ? 0.21800   7.40200   -0.58900  1.000 15.07096 ? 87  SER A CB   1 
ATOM   700  O  OG   . SER A 1 45 ? 0.78800   8.34200   -1.52800  1.000 17.93028 ? 87  SER A OG   1 
ATOM   701  H  H    . SER A 1 45 ? -0.56000  6.75100   1.83400   1.000 15.67859 ? 87  SER A H    1 
ATOM   702  H  HA   . SER A 1 45 ? 1.81100   7.40100   0.70400   1.000 14.83992 ? 87  SER A HA   1 
ATOM   703  H  HB2  . SER A 1 45 ? 0.37200   6.49900   -0.91000  1.000 18.10215 ? 87  SER A HB2  1 
ATOM   704  H  HB3  . SER A 1 45 ? -0.73500  7.56800   -0.51200  1.000 18.10215 ? 87  SER A HB3  1 
ATOM   705  H  HG   . SER A 1 45 ? 1.61300   8.20600   -1.60500  1.000 21.53334 ? 87  SER A HG   1 
ATOM   706  N  N    . LEU A 1 46 ? 1.72200   9.69300   1.42200   1.000 13.04707 ? 88  LEU A N    1 
ATOM   707  C  CA   . LEU A 1 46 ? 1.60700   11.08100  1.89000   1.000 15.04279 ? 88  LEU A CA   1 
ATOM   708  C  C    . LEU A 1 46 ? 0.84600   11.93200  0.88300   1.000 16.12441 ? 88  LEU A C    1 
ATOM   709  O  O    . LEU A 1 46 ? -0.09800  12.65300  1.22800   1.000 18.89999 ? 88  LEU A O    1 
ATOM   710  C  CB   . LEU A 1 46 ? 2.98300   11.63500  2.13800   1.000 16.11183 ? 88  LEU A CB   1 
ATOM   711  C  CG   . LEU A 1 46 ? 3.80400   10.96400  3.25500   1.000 14.43982 ? 88  LEU A CG   1 
ATOM   712  C  CD1  . LEU A 1 46 ? 5.08600   11.73000  3.48500   1.000 20.42887 ? 88  LEU A CD1  1 
ATOM   713  C  CD2  . LEU A 1 46 ? 2.98000   10.82600  4.51700   1.000 19.00611 ? 88  LEU A CD2  1 
ATOM   714  H  H    . LEU A 1 46 ? 2.52400   9.41800   1.28100   1.000 15.67348 ? 88  LEU A H    1 
ATOM   715  H  HA   . LEU A 1 46 ? 1.11400   11.10400  2.72500   1.000 18.06835 ? 88  LEU A HA   1 
ATOM   716  H  HB2  . LEU A 1 46 ? 3.49400   11.54800  1.31800   1.000 19.35120 ? 88  LEU A HB2  1 
ATOM   717  H  HB3  . LEU A 1 46 ? 2.89200   12.57100  2.37400   1.000 19.35120 ? 88  LEU A HB3  1 
ATOM   718  H  HG   . LEU A 1 46 ? 4.05100   10.06500  2.98800   1.000 17.34479 ? 88  LEU A HG   1 
ATOM   719  H  HD11 . LEU A 1 46 ? 5.60000   11.28300  4.17600   1.000 24.53165 ? 88  LEU A HD11 1 
ATOM   720  H  HD12 . LEU A 1 46 ? 5.59200   11.75400  2.65800   1.000 24.53165 ? 88  LEU A HD12 1 
ATOM   721  H  HD13 . LEU A 1 46 ? 4.86800   12.63200  3.76600   1.000 24.53165 ? 88  LEU A HD13 1 
ATOM   722  H  HD21 . LEU A 1 46 ? 3.56200   10.56300  5.24700   1.000 22.82433 ? 88  LEU A HD21 1 
ATOM   723  H  HD22 . LEU A 1 46 ? 2.56400   11.67900  4.71700   1.000 22.82433 ? 88  LEU A HD22 1 
ATOM   724  H  HD23 . LEU A 1 46 ? 2.29800   10.15000  4.37600   1.000 22.82433 ? 88  LEU A HD23 1 
ATOM   725  N  N    . GLU A 1 47 ? 1.22100   11.80300  -0.37000  1.000 15.50200 ? 89  GLU A N    1 
ATOM   726  C  CA   . GLU A 1 47 ? 0.68500   12.67300  -1.41400  1.000 24.63685 ? 89  GLU A CA   1 
ATOM   727  C  C    . GLU A 1 47 ? -0.81400  12.46000  -1.54800  1.000 29.63979 ? 89  GLU A C    1 
ATOM   728  O  O    . GLU A 1 47 ? -1.59400  13.41800  -1.66500  1.000 28.32660 ? 89  GLU A O    1 
ATOM   729  C  CB   . GLU A 1 47 ? 1.40600   12.37900  -2.72900  1.000 25.55834 ? 89  GLU A CB   1 
ATOM   730  C  CG   . GLU A 1 47 ? 2.88900   12.84600  -2.78600  1.000 23.79244 ? 89  GLU A CG   1 
ATOM   731  C  CD   . GLU A 1 47 ? 3.90100   11.91000  -2.18200  1.000 25.33208 ? 89  GLU A CD   1 
ATOM   732  O  OE1  . GLU A 1 47 ? 3.50900   10.91700  -1.55300  1.000 21.59162 ? 89  GLU A OE1  1 
ATOM   733  O  OE2  . GLU A 1 47 ? 5.13200   12.12900  -2.33100  1.000 25.76527 ? 89  GLU A OE2  1 
ATOM   734  H  H    . GLU A 1 47 ? 1.78700   11.22000  -0.65300  1.000 18.61940 ? 89  GLU A H    1 
ATOM   735  H  HA   . GLU A 1 47 ? 0.83900   13.60500  -1.19200  1.000 29.58123 ? 89  GLU A HA   1 
ATOM   736  H  HB2  . GLU A 1 47 ? 1.39800   11.42000  -2.87600  1.000 30.68701 ? 89  GLU A HB2  1 
ATOM   737  H  HB3  . GLU A 1 47 ? 0.93200   12.82900  -3.44600  1.000 30.68701 ? 89  GLU A HB3  1 
ATOM   738  H  HG2  . GLU A 1 47 ? 3.13300   12.96900  -3.71600  1.000 28.56793 ? 89  GLU A HG2  1 
ATOM   739  H  HG3  . GLU A 1 47 ? 2.95900   13.68900  -2.31000  1.000 28.56793 ? 89  GLU A HG3  1 
ATOM   740  N  N    . LEU A 1 48 ? -1.24400  11.20100  -1.48700  1.000 23.35578 ? 90  LEU A N    1 
ATOM   741  C  CA   . LEU A 1 48 ? -2.64100  10.87600  -1.71000  1.000 27.64941 ? 90  LEU A CA   1 
ATOM   742  C  C    . LEU A 1 48 ? -3.49000  11.05000  -0.46200  1.000 27.54976 ? 90  LEU A C    1 
ATOM   743  O  O    . LEU A 1 48 ? -4.71700  11.03700  -0.56300  1.000 29.53099 ? 90  LEU A O    1 
ATOM   744  C  CB   . LEU A 1 48 ? -2.74800  9.43800   -2.22900  1.000 25.55885 ? 90  LEU A CB   1 
ATOM   745  C  CG   . LEU A 1 48 ? -2.26400  9.13500   -3.64300  1.000 29.43316 ? 90  LEU A CG   1 
ATOM   746  C  CD1  . LEU A 1 48 ? -2.62300  7.71000   -3.96600  1.000 28.34699 ? 90  LEU A CD1  1 
ATOM   747  C  CD2  . LEU A 1 48 ? -2.85700  10.06400  -4.68000  1.000 32.91810 ? 90  LEU A CD2  1 
ATOM   748  H  H    . LEU A 1 48 ? -0.74500  10.52200  -1.31800  1.000 28.04393 ? 90  LEU A H    1 
ATOM   749  H  HA   . LEU A 1 48 ? -3.00700  11.46500  -2.38900  1.000 33.19629 ? 90  LEU A HA   1 
ATOM   750  H  HB2  . LEU A 1 48 ? -2.23200  8.87300   -1.63400  1.000 30.68763 ? 90  LEU A HB2  1 
ATOM   751  H  HB3  . LEU A 1 48 ? -3.68400  9.18500   -2.19800  1.000 30.68763 ? 90  LEU A HB3  1 
ATOM   752  H  HG   . LEU A 1 48 ? -1.30400  9.26800   -3.68000  1.000 35.33680 ? 90  LEU A HG   1 
ATOM   753  H  HD11 . LEU A 1 48 ? -2.25100  7.47900   -4.83200  1.000 34.03339 ? 90  LEU A HD11 1 
ATOM   754  H  HD12 . LEU A 1 48 ? -2.25600  7.12900   -3.28200  1.000 34.03339 ? 90  LEU A HD12 1 
ATOM   755  H  HD13 . LEU A 1 48 ? -3.58900  7.62500   -3.98800  1.000 34.03339 ? 90  LEU A HD13 1 
ATOM   756  H  HD21 . LEU A 1 48 ? -2.55300  9.79100   -5.56000  1.000 39.51872 ? 90  LEU A HD21 1 
ATOM   757  H  HD22 . LEU A 1 48 ? -3.82400  10.01400  -4.63300  1.000 39.51872 ? 90  LEU A HD22 1 
ATOM   758  H  HD23 . LEU A 1 48 ? -2.56400  10.97100  -4.49600  1.000 39.51872 ? 90  LEU A HD23 1 
ATOM   759  N  N    . ARG A 1 49 ? -2.89100  11.24400  0.71300   1.000 21.94462 ? 91  ARG A N    1 
ATOM   760  C  CA   . ARG A 1 49 ? -3.62800  11.33700  1.94700   1.000 27.91736 ? 91  ARG A CA   1 
ATOM   761  C  C    . ARG A 1 49 ? -4.45000  10.08100  2.20300   1.000 28.90725 ? 91  ARG A C    1 
ATOM   762  O  O    . ARG A 1 49 ? -5.52200  10.15800  2.81100   1.000 27.10919 ? 91  ARG A O    1 
ATOM   763  C  CB   . ARG A 1 49 ? -4.54100  12.56500  1.94200   1.000 37.53709 ? 91  ARG A CB   1 
ATOM   764  C  CG   . ARG A 1 49 ? -3.81400  13.88800  1.79500   1.000 38.41287 ? 91  ARG A CG   1 
ATOM   765  C  CD   . ARG A 1 49 ? -4.82800  15.01700  1.78700   1.000 43.14743 ? 91  ARG A CD   1 
ATOM   766  N  NE   . ARG A 1 49 ? -4.21300  16.33400  1.73500   1.000 46.07466 ? 91  ARG A NE   1 
ATOM   767  C  CZ   . ARG A 1 49 ? -3.93100  16.98700  0.61600   1.000 38.82523 ? 91  ARG A CZ   1 
ATOM   768  N  NH1  . ARG A 1 49 ? -4.14800  16.44800  -0.57600  1.000 40.57063 ? 91  ARG A NH1  1 
ATOM   769  N  NH2  . ARG A 1 49 ? -3.43200  18.21100  0.69700   1.000 33.78993 ? 91  ARG A NH2  1 
ATOM   770  H  H    . ARG A 1 49 ? -2.04000  11.32600  0.81100   1.000 26.35055 ? 91  ARG A H    1 
ATOM   771  H  HA   . ARG A 1 49 ? -2.99300  11.42700  2.67600   1.000 33.51784 ? 91  ARG A HA   1 
ATOM   772  H  HB2  . ARG A 1 49 ? -5.16000  12.48600  1.20000   1.000 45.06151 ? 91  ARG A HB2  1 
ATOM   773  H  HB3  . ARG A 1 49 ? -5.02900  12.59000  2.78000   1.000 45.06151 ? 91  ARG A HB3  1 
ATOM   774  H  HG2  . ARG A 1 49 ? -3.20700  14.01600  2.54100   1.000 46.11244 ? 91  ARG A HG2  1 
ATOM   775  H  HG3  . ARG A 1 49 ? -3.32100  13.90200  0.96000   1.000 46.11244 ? 91  ARG A HG3  1 
ATOM   776  H  HD2  . ARG A 1 49 ? -5.39800  14.92300  1.00800   1.000 51.79392 ? 91  ARG A HD2  1 
ATOM   777  H  HD3  . ARG A 1 49 ? -5.36000  14.96900  2.59600   1.000 51.79392 ? 91  ARG A HD3  1 
ATOM   778  H  HE   . ARG A 1 49 ? -4.01900  16.71500  2.48100   1.000 55.30660 ? 91  ARG A HE   1 
ATOM   779  H  HH11 . ARG A 1 49 ? -4.47900  15.65700  -0.63600  1.000 48.70176 ? 91  ARG A HH11 1 
ATOM   780  H  HH12 . ARG A 1 49 ? -3.95700  16.89000  -1.28800  1.000 48.70176 ? 91  ARG A HH12 1 
ATOM   781  H  HH21 . ARG A 1 49 ? -3.29600  18.57000  1.46700   1.000 40.56492 ? 91  ARG A HH21 1 
ATOM   782  H  HH22 . ARG A 1 49 ? -3.24400  18.64700  -0.02000  1.000 40.56492 ? 91  ARG A HH22 1 
ATOM   783  N  N    . LYS A 1 50 ? -3.93500  8.93500   1.75100   1.000 22.69940 ? 92  LYS A N    1 
ATOM   784  C  CA   . LYS A 1 50 ? -4.61500  7.64000   1.85600   1.000 19.58778 ? 92  LYS A CA   1 
ATOM   785  C  C    . LYS A 1 50 ? -3.83800  6.74300   2.82300   1.000 18.88636 ? 92  LYS A C    1 
ATOM   786  O  O    . LYS A 1 50 ? -2.61800  6.54500   2.63900   1.000 20.83678 ? 92  LYS A O    1 
ATOM   787  C  CB   . LYS A 1 50 ? -4.70100  6.97800   0.48900   1.000 23.85613 ? 92  LYS A CB   1 
ATOM   788  C  CG   . LYS A 1 50 ? -5.52000  5.68000   0.47300   1.000 28.41512 ? 92  LYS A CG   1 
ATOM   789  C  CD   . LYS A 1 50 ? -6.97400  5.90900   0.07500   1.000 25.93323 ? 92  LYS A CD   1 
ATOM   790  C  CE   . LYS A 1 50 ? -7.75000  4.60400   -0.04200  1.000 25.96509 ? 92  LYS A CE   1 
ATOM   791  N  NZ   . LYS A 1 50 ? -8.99000  4.58600   0.79100   1.000 28.98983 ? 92  LYS A NZ   1 
ATOM   792  H  H    . LYS A 1 50 ? -3.16700  8.88000   1.36700   1.000 27.25628 ? 92  LYS A H    1 
ATOM   793  H  HA   . LYS A 1 50 ? -5.51200  7.76200   2.20200   1.000 23.52234 ? 92  LYS A HA   1 
ATOM   794  H  HB2  . LYS A 1 50 ? -5.11700  7.59700   -0.13000  1.000 28.64436 ? 92  LYS A HB2  1 
ATOM   795  H  HB3  . LYS A 1 50 ? -3.80300  6.76300   0.19100   1.000 28.64436 ? 92  LYS A HB3  1 
ATOM   796  H  HG2  . LYS A 1 50 ? -5.12800  5.06500   -0.16700  1.000 34.11515 ? 92  LYS A HG2  1 
ATOM   797  H  HG3  . LYS A 1 50 ? -5.51000  5.28700   1.36000   1.000 34.11515 ? 92  LYS A HG3  1 
ATOM   798  H  HD2  . LYS A 1 50 ? -7.40600  6.45800   0.74900   1.000 31.13688 ? 92  LYS A HD2  1 
ATOM   799  H  HD3  . LYS A 1 50 ? -7.00300  6.35600   -0.78500  1.000 31.13688 ? 92  LYS A HD3  1 
ATOM   800  H  HE2  . LYS A 1 50 ? -8.00900  4.47300   -0.96700  1.000 31.17511 ? 92  LYS A HE2  1 
ATOM   801  H  HE3  . LYS A 1 50 ? -7.18300  3.87300   0.25000   1.000 31.17511 ? 92  LYS A HE3  1 
ATOM   802  H  HZ1  . LYS A 1 50 ? -9.42300  3.81700   0.67500   1.000 34.80479 ? 92  LYS A HZ1  1 
ATOM   803  H  HZ2  . LYS A 1 50 ? -8.78000  4.67200   1.65200   1.000 34.80479 ? 92  LYS A HZ2  1 
ATOM   804  H  HZ3  . LYS A 1 50 ? -9.52500  5.25700   0.55600   1.000 34.80479 ? 92  LYS A HZ3  1 
ATOM   805  N  N    . GLU A 1 51 ? -4.53700  6.14100   3.77900   1.000 19.81671 ? 93  GLU A N    1 
ATOM   806  C  CA   . GLU A 1 51 ? -3.98600  5.18400   4.73900   1.000 19.17441 ? 93  GLU A CA   1 
ATOM   807  C  C    . GLU A 1 51 ? -4.96200  4.02100   4.83800   1.000 19.72257 ? 93  GLU A C    1 
ATOM   808  O  O    . GLU A 1 51 ? -6.18500  4.22800   4.88000   1.000 19.58091 ? 93  GLU A O    1 
ATOM   809  C  CB   . GLU A 1 51 ? -3.85300  5.82400   6.11800   1.000 27.34718 ? 93  GLU A CB   1 
ATOM   810  C  CG   . GLU A 1 51 ? -3.12600  7.16500   6.08400   1.000 27.69614 ? 93  GLU A CG   1 
ATOM   811  C  CD   . GLU A 1 51 ? -3.12900  7.89700   7.42600   1.000 40.76552 ? 93  GLU A CD   1 
ATOM   812  O  OE1  . GLU A 1 51 ? -4.06200  7.69000   8.24400   1.000 37.83928 ? 93  GLU A OE1  1 
ATOM   813  O  OE2  . GLU A 1 51 ? -2.16800  8.65600   7.69100   1.000 41.99514 ? 93  GLU A OE2  1 
ATOM   814  H  H    . GLU A 1 51 ? -5.37800  6.27600   3.90100   1.000 23.79705 ? 93  GLU A H    1 
ATOM   815  H  HA   . GLU A 1 51 ? -3.11700  4.86700   4.44800   1.000 23.02630 ? 93  GLU A HA   1 
ATOM   816  H  HB2  . GLU A 1 51 ? -4.73900  5.97200   6.48300   1.000 32.83362 ? 93  GLU A HB2  1 
ATOM   817  H  HB3  . GLU A 1 51 ? -3.35200  5.22600   6.69500   1.000 32.83362 ? 93  GLU A HB3  1 
ATOM   818  H  HG2  . GLU A 1 51 ? -2.20100  7.01400   5.83100   1.000 33.25237 ? 93  GLU A HG2  1 
ATOM   819  H  HG3  . GLU A 1 51 ? -3.55800  7.73900   5.43200   1.000 33.25237 ? 93  GLU A HG3  1 
ATOM   820  N  N    . LYS A 1 52 ? -4.44800  2.78400   4.80400   1.000 14.05298 ? 94  LYS A N    1 
ATOM   821  C  CA   . LYS A 1 52 ? -5.30500  1.61200   4.98600   1.000 14.09338 ? 94  LYS A CA   1 
ATOM   822  C  C    . LYS A 1 52 ? -4.56000  0.52500   5.76800   1.000 11.79910 ? 94  LYS A C    1 
ATOM   823  O  O    . LYS A 1 52 ? -3.51800  0.04200   5.28400   1.000 12.27026 ? 94  LYS A O    1 
ATOM   824  C  CB   . LYS A 1 52 ? -5.74900  1.09800   3.61300   1.000 17.40384 ? 94  LYS A CB   1 
ATOM   825  C  CG   . LYS A 1 52 ? -6.93900  0.15300   3.66600   1.000 26.16808 ? 94  LYS A CG   1 
ATOM   826  C  CD   . LYS A 1 52 ? -6.81800  -0.94600  2.68600   1.000 32.66680 ? 94  LYS A CD   1 
ATOM   827  C  CE   . LYS A 1 52 ? -8.17200  -1.35400  2.13700   1.000 35.16508 ? 94  LYS A CE   1 
ATOM   828  N  NZ   . LYS A 1 52 ? -9.27600  -1.23100  3.14200   1.000 37.47919 ? 94  LYS A NZ   1 
ATOM   829  H  H    . LYS A 1 52 ? -3.61700  2.60200   4.68000   1.000 16.88057 ? 94  LYS A H    1 
ATOM   830  H  HA   . LYS A 1 52 ? -6.08000  1.85000   5.51900   1.000 16.92906 ? 94  LYS A HA   1 
ATOM   831  H  HB2  . LYS A 1 52 ? -5.99700  1.85700   3.06200   1.000 20.90161 ? 94  LYS A HB2  1 
ATOM   832  H  HB3  . LYS A 1 52 ? -5.00900  0.62000   3.20600   1.000 20.90161 ? 94  LYS A HB3  1 
ATOM   833  H  HG2  . LYS A 1 52 ? -6.99700  -0.23700  4.55300   1.000 31.41870 ? 94  LYS A HG2  1 
ATOM   834  H  HG3  . LYS A 1 52 ? -7.74900  0.64800   3.46800   1.000 31.41870 ? 94  LYS A HG3  1 
ATOM   835  H  HD2  . LYS A 1 52 ? -6.26400  -0.65500  1.94400   1.000 39.21716 ? 94  LYS A HD2  1 
ATOM   836  H  HD3  . LYS A 1 52 ? -6.41800  -1.71800  3.11600   1.000 39.21716 ? 94  LYS A HD3  1 
ATOM   837  H  HE2  . LYS A 1 52 ? -8.39100  -0.78500  1.38300   1.000 42.21510 ? 94  LYS A HE2  1 
ATOM   838  H  HE3  . LYS A 1 52 ? -8.13000  -2.28000  1.85300   1.000 42.21510 ? 94  LYS A HE3  1 
ATOM   839  H  HZ1  . LYS A 1 52 ? -10.00800 -1.63900  2.84100   1.000 44.99203 ? 94  LYS A HZ1  1 
ATOM   840  H  HZ2  . LYS A 1 52 ? -9.03100  -1.60700  3.91100   1.000 44.99203 ? 94  LYS A HZ2  1 
ATOM   841  H  HZ3  . LYS A 1 52 ? -9.46200  -0.37300  3.28600   1.000 44.99203 ? 94  LYS A HZ3  1 
ATOM   842  N  N    . VAL A 1 53 ? -5.07500  0.11800   6.89100   1.000 12.22759 ? 95  VAL A N    1 
ATOM   843  C  CA   . VAL A 1 53 ? -4.49200  -0.94800  7.68300   1.000 11.63064 ? 95  VAL A CA   1 
ATOM   844  C  C    . VAL A 1 53 ? -4.86000  -2.30700  7.12100   1.000 12.77385 ? 95  VAL A C    1 
ATOM   845  O  O    . VAL A 1 53 ? -5.98300  -2.51300  6.65900   1.000 14.89489 ? 95  VAL A O    1 
ATOM   846  C  CB   . VAL A 1 53 ? -4.87300  -0.79300  9.16000   1.000 13.72023 ? 95  VAL A CB   1 
ATOM   847  C  CG1  . VAL A 1 53 ? -4.36700  -1.93500  9.97700   1.000 16.27681 ? 95  VAL A CG1  1 
ATOM   848  C  CG2  . VAL A 1 53 ? -4.33700  0.52400   9.68100   1.000 15.28610 ? 95  VAL A CG2  1 
ATOM   849  H  H    . VAL A 1 53 ? -5.78800  0.44900   7.23900   1.000 14.69011 ? 95  VAL A H    1 
ATOM   850  H  HA   . VAL A 1 53 ? -3.52700  -0.88400  7.61800   1.000 13.97377 ? 95  VAL A HA   1 
ATOM   851  H  HB   . VAL A 1 53 ? -5.84000  -0.79500  9.24000   1.000 16.48127 ? 95  VAL A HB   1 
ATOM   852  H  HG11 . VAL A 1 53 ? -4.39600  -1.69000  10.91500  1.000 19.54917 ? 95  VAL A HG11 1 
ATOM   853  H  HG12 . VAL A 1 53 ? -4.92900  -2.71000  9.82000   1.000 19.54917 ? 95  VAL A HG12 1 
ATOM   854  H  HG13 . VAL A 1 53 ? -3.45300  -2.13000  9.71500   1.000 19.54917 ? 95  VAL A HG13 1 
ATOM   855  H  HG21 . VAL A 1 53 ? -4.49100  0.57200   10.63700  1.000 18.36033 ? 95  VAL A HG21 1 
ATOM   856  H  HG22 . VAL A 1 53 ? -3.38600  0.57300   9.49600   1.000 18.36033 ? 95  VAL A HG22 1 
ATOM   857  H  HG23 . VAL A 1 53 ? -4.79800  1.25200   9.23400   1.000 18.36033 ? 95  VAL A HG23 1 
ATOM   858  N  N    . ILE A 1 54 ? -3.90700  -3.21100  7.20700   1.000 10.35083 ? 96  ILE A N    1 
ATOM   859  C  CA   . ILE A 1 54 ? -4.11000  -4.62800  6.89700   1.000 13.33001 ? 96  ILE A CA   1 
ATOM   860  C  C    . ILE A 1 54 ? -3.51900  -5.44700  8.02500   1.000 9.30014  ? 96  ILE A C    1 
ATOM   861  O  O    . ILE A 1 54 ? -2.31800  -5.42100  8.26600   1.000 9.83632  ? 96  ILE A O    1 
ATOM   862  C  CB   . ILE A 1 54 ? -3.45600  -5.09700  5.59200   1.000 14.03965 ? 96  ILE A CB   1 
ATOM   863  C  CG1  . ILE A 1 54 ? -3.53000  -4.02800  4.51900   1.000 15.18483 ? 96  ILE A CG1  1 
ATOM   864  C  CG2  . ILE A 1 54 ? -4.09800  -6.42600  5.11900   1.000 15.20931 ? 96  ILE A CG2  1 
ATOM   865  C  CD1  . ILE A 1 54 ? -2.35300  -3.16600  4.37700   1.000 17.18006 ? 96  ILE A CD1  1 
ATOM   866  H  H    . ILE A 1 54 ? -3.10300  -3.03000  7.45100   1.000 12.43800 ? 96  ILE A H    1 
ATOM   867  H  HA   . ILE A 1 54 ? -5.06800  -4.75900  6.83000   1.000 16.01302 ? 96  ILE A HA   1 
ATOM   868  H  HB   . ILE A 1 54 ? -2.51500  -5.25700  5.76600   1.000 16.86459 ? 96  ILE A HB   1 
ATOM   869  H  HG12 . ILE A 1 54 ? -3.66700  -4.46800  3.66500   1.000 18.23880 ? 96  ILE A HG12 1 
ATOM   870  H  HG13 . ILE A 1 54 ? -4.28400  -3.45100  4.72000   1.000 18.23880 ? 96  ILE A HG13 1 
ATOM   871  H  HG21 . ILE A 1 54 ? -3.64200  -6.73000  4.31900   1.000 18.26817 ? 96  ILE A HG21 1 
ATOM   872  H  HG22 . ILE A 1 54 ? -4.00900  -7.08800  5.82300   1.000 18.26817 ? 96  ILE A HG22 1 
ATOM   873  H  HG23 . ILE A 1 54 ? -5.03700  -6.27300  4.92700   1.000 18.26817 ? 96  ILE A HG23 1 
ATOM   874  H  HD11 . ILE A 1 54 ? -2.51200  -2.53200  3.66100   1.000 20.63308 ? 96  ILE A HD11 1 
ATOM   875  H  HD12 . ILE A 1 54 ? -2.20500  -2.69400  5.21100   1.000 20.63308 ? 96  ILE A HD12 1 
ATOM   876  H  HD13 . ILE A 1 54 ? -1.58300  -3.71700  4.16600   1.000 20.63308 ? 96  ILE A HD13 1 
ATOM   877  N  N    . ALA A 1 55 ? -4.36300  -6.17900  8.75700   1.000 12.02551 ? 97  ALA A N    1 
ATOM   878  C  CA   . ALA A 1 55 ? -3.89500  -7.05300  9.83200   1.000 12.85232 ? 97  ALA A CA   1 
ATOM   879  C  C    . ALA A 1 55 ? -2.98900  -8.15500  9.27400   1.000 11.60261 ? 97  ALA A C    1 
ATOM   880  O  O    . ALA A 1 55 ? -3.03400  -8.49000  8.06700   1.000 11.72465 ? 97  ALA A O    1 
ATOM   881  C  CB   . ALA A 1 55 ? -5.05800  -7.73000  10.53500  1.000 15.57715 ? 97  ALA A CB   1 
ATOM   882  H  H    . ALA A 1 55 ? -5.21600  -6.18600  8.65000   1.000 14.44762 ? 97  ALA A H    1 
ATOM   883  H  HA   . ALA A 1 55 ? -3.40700  -6.50700  10.46800  1.000 15.43978 ? 97  ALA A HA   1 
ATOM   884  H  HB1  . ALA A 1 55 ? -4.71300  -8.28800  11.25000  1.000 18.70958 ? 97  ALA A HB1  1 
ATOM   885  H  HB2  . ALA A 1 55 ? -5.64500  -7.05000  10.90100  1.000 18.70958 ? 97  ALA A HB2  1 
ATOM   886  H  HB3  . ALA A 1 55 ? -5.54100  -8.27500  9.89400   1.000 18.70958 ? 97  ALA A HB3  1 
ATOM   887  N  N    . ALA A 1 56 ? -2.06800  -8.65900  10.11000  1.000 11.63580 ? 98  ALA A N    1 
ATOM   888  C  CA   . ALA A 1 56 ? -1.19800  -9.74600  9.68700   1.000 11.41071 ? 98  ALA A CA   1 
ATOM   889  C  C    . ALA A 1 56 ? -2.07800  -10.90300 9.21500   1.000 13.21484 ? 98  ALA A C    1 
ATOM   890  O  O    . ALA A 1 56 ? -3.16300  -11.16700 9.77300   1.000 13.71851 ? 98  ALA A O    1 
ATOM   891  C  CB   . ALA A 1 56 ? -0.30000  -10.23800 10.82500  1.000 14.29229 ? 98  ALA A CB   1 
ATOM   892  H  H    . ALA A 1 56 ? -1.93400  -8.38700  10.91500  1.000 13.97997 ? 98  ALA A H    1 
ATOM   893  H  HA   . ALA A 1 56 ? -0.61500  -9.43300  8.97800   1.000 13.70985 ? 98  ALA A HA   1 
ATOM   894  H  HB1  . ALA A 1 56 ? 0.25600   -10.96200 10.49800  1.000 17.16775 ? 98  ALA A HB1  1 
ATOM   895  H  HB2  . ALA A 1 56 ? 0.25700   -9.50400  11.12800  1.000 17.16775 ? 98  ALA A HB2  1 
ATOM   896  H  HB3  . ALA A 1 56 ? -0.85800  -10.55300 11.55400  1.000 17.16775 ? 98  ALA A HB3  1 
ATOM   897  N  N    . GLN A 1 57 ? -1.60600  -11.60800 8.20200   1.000 13.55953 ? 99  GLN A N    1 
ATOM   898  C  CA   . GLN A 1 57 ? -2.26400  -12.80600 7.71400   1.000 11.85063 ? 99  GLN A CA   1 
ATOM   899  C  C    . GLN A 1 57 ? -3.71700  -12.53200 7.32700   1.000 16.52748 ? 99  GLN A C    1 
ATOM   900  O  O    . GLN A 1 57 ? -4.66100  -13.29800 7.62700   1.000 16.45236 ? 99  GLN A O    1 
ATOM   901  C  CB   . GLN A 1 57 ? -2.14900  -13.94800 8.72500   1.000 14.51379 ? 99  GLN A CB   1 
ATOM   902  C  CG   . GLN A 1 57 ? -0.77900  -14.43300 8.91900   1.000 18.92854 ? 99  GLN A CG   1 
ATOM   903  C  CD   . GLN A 1 57 ? -0.17700  -15.02200 7.63200   1.000 32.16174 ? 99  GLN A CD   1 
ATOM   904  O  OE1  . GLN A 1 57 ? 0.99000   -14.77600 7.31400   1.000 34.95461 ? 99  GLN A OE1  1 
ATOM   905  N  NE2  . GLN A 1 57 ? -0.99000  -15.76900 6.86800   1.000 32.93869 ? 99  GLN A NE2  1 
ATOM   906  H  H    . GLN A 1 57 ? -0.88900  -11.40800 7.77100   1.000 16.28844 ? 99  GLN A H    1 
ATOM   907  H  HA   . GLN A 1 57 ? -1.81300  -13.08900 6.90300   1.000 14.23776 ? 99  GLN A HA   1 
ATOM   908  H  HB2  . GLN A 1 57 ? -2.47700  -13.63700 9.58400   1.000 17.43355 ? 99  GLN A HB2  1 
ATOM   909  H  HB3  . GLN A 1 57 ? -2.68600  -14.69400 8.41500   1.000 17.43355 ? 99  GLN A HB3  1 
ATOM   910  H  HG2  . GLN A 1 57 ? -0.21800  -13.69400 9.20300   1.000 22.73125 ? 99  GLN A HG2  1 
ATOM   911  H  HG3  . GLN A 1 57 ? -0.78000  -15.12700 9.59600   1.000 22.73125 ? 99  GLN A HG3  1 
ATOM   912  H  HE21 . GLN A 1 57 ? -1.80500  -15.89900 7.10700   1.000 39.54343 ? 99  GLN A HE21 1 
ATOM   913  H  HE22 . GLN A 1 57 ? -0.69400  -16.11800 6.14000   1.000 39.54343 ? 99  GLN A HE22 1 
ATOM   914  N  N    . SER A 1 58 ? -3.89200  -11.45700 6.56400   1.000 14.09568 ? 100 SER A N    1 
ATOM   915  C  CA   . SER A 1 58 ? -5.20400  -10.99600 6.20900   1.000 13.45426 ? 100 SER A CA   1 
ATOM   916  C  C    . SER A 1 58 ? -5.07700  -10.24600 4.88800   1.000 12.86898 ? 100 SER A C    1 
ATOM   917  O  O    . SER A 1 58 ? -3.97800  -9.94400  4.43700   1.000 14.17157 ? 100 SER A O    1 
ATOM   918  C  CB   . SER A 1 58 ? -5.81100  -10.04100 7.26800   1.000 15.87429 ? 100 SER A CB   1 
ATOM   919  O  OG   . SER A 1 58 ? -5.85600  -10.63000 8.55900   1.000 24.30047 ? 100 SER A OG   1 
ATOM   920  H  H    . SER A 1 58 ? -3.25200  -10.98000 6.24300   1.000 16.93182 ? 100 SER A H    1 
ATOM   921  H  HA   . SER A 1 58 ? -5.78800  -11.76600 6.12300   1.000 16.16211 ? 100 SER A HA   1 
ATOM   922  H  HB2  . SER A 1 58 ? -5.26700  -9.23900  7.31100   1.000 19.06615 ? 100 SER A HB2  1 
ATOM   923  H  HB3  . SER A 1 58 ? -6.71500  -9.81500  6.99900   1.000 19.06615 ? 100 SER A HB3  1 
ATOM   924  H  HG   . SER A 1 58 ? -5.07700  -10.79900 8.82500   1.000 29.17756 ? 100 SER A HG   1 
ATOM   925  N  N    . GLU A 1 59 ? -6.22700  -9.94400  4.30600   1.000 12.95911 ? 101 GLU A N    1 
ATOM   926  C  CA   . GLU A 1 59 ? -6.29000  -9.18500  3.07100   1.000 15.12513 ? 101 GLU A CA   1 
ATOM   927  C  C    . GLU A 1 59 ? -7.41000  -8.16700  3.16700   1.000 17.37529 ? 101 GLU A C    1 
ATOM   928  O  O    . GLU A 1 59 ? -8.44200  -8.40300  3.82700   1.000 20.21628 ? 101 GLU A O    1 
ATOM   929  C  CB   . GLU A 1 59 ? -6.58900  -10.15700 1.89800   1.000 18.71358 ? 101 GLU A CB   1 
ATOM   930  C  CG   . GLU A 1 59 ? -6.63200  -9.55700  0.57200   1.000 18.13192 ? 101 GLU A CG   1 
ATOM   931  C  CD   . GLU A 1 59 ? -8.03700  -9.33700  0.04300   1.000 21.11673 ? 101 GLU A CD   1 
ATOM   932  O  OE1  . GLU A 1 59 ? -8.98500  -9.17700  0.87100   1.000 26.59260 ? 101 GLU A OE1  1 
ATOM   933  O  OE2  . GLU A 1 59 ? -8.18900  -9.29600  -1.19400  1.000 28.68374 ? 101 GLU A OE2  1 
ATOM   934  H  H    . GLU A 1 59 ? -6.99700  -10.17100 4.61300   1.000 15.56794 ? 101 GLU A H    1 
ATOM   935  H  HA   . GLU A 1 59 ? -5.46200  -8.70600  2.91400   1.000 18.16716 ? 101 GLU A HA   1 
ATOM   936  H  HB2  . GLU A 1 59 ? -5.89700  -10.83700 1.88300   1.000 22.47330 ? 101 GLU A HB2  1 
ATOM   937  H  HB3  . GLU A 1 59 ? -7.45300  -10.56800 2.05600   1.000 22.47330 ? 101 GLU A HB3  1 
ATOM   938  H  HG2  . GLU A 1 59 ? -6.19200  -8.69300  0.60600   1.000 21.77530 ? 101 GLU A HG2  1 
ATOM   939  H  HG3  . GLU A 1 59 ? -6.17100  -10.14100 -0.05000  1.000 21.77530 ? 101 GLU A HG3  1 
ATOM   940  N  N    . THR A 1 60 ? -7.21800  -7.03200  2.49900   1.000 16.93130 ? 102 THR A N    1 
ATOM   941  C  CA   . THR A 1 60 ? -8.32000  -6.09300  2.29400   1.000 17.14548 ? 102 THR A CA   1 
ATOM   942  C  C    . THR A 1 60 ? -8.15600  -5.47900  0.92700   1.000 15.79675 ? 102 THR A C    1 
ATOM   943  O  O    . THR A 1 60 ? -7.07300  -5.57700  0.34000   1.000 17.48988 ? 102 THR A O    1 
ATOM   944  C  CB   . THR A 1 60 ? -8.31100  -5.05600  3.39200   1.000 19.59025 ? 102 THR A CB   1 
ATOM   945  O  OG1  . THR A 1 60 ? -9.53700  -4.28800  3.32500   1.000 21.94109 ? 102 THR A OG1  1 
ATOM   946  C  CG2  . THR A 1 60 ? -7.08800  -4.19100  3.31100   1.000 20.14058 ? 102 THR A CG2  1 
ATOM   947  H  H    . THR A 1 60 ? -6.46800  -6.78600  2.15800   1.000 20.33456 ? 102 THR A H    1 
ATOM   948  H  HA   . THR A 1 60 ? -9.18500  -6.53100  2.30700   1.000 20.59157 ? 102 THR A HA   1 
ATOM   949  H  HB   . THR A 1 60 ? -8.27200  -5.48200  4.26300   1.000 23.52530 ? 102 THR A HB   1 
ATOM   950  H  HG1  . THR A 1 60 ? -9.56700  -3.73800  3.96000   1.000 26.34631 ? 102 THR A HG1  1 
ATOM   951  H  HG21 . THR A 1 60 ? -7.14800  -3.47000  3.95800   1.000 24.18570 ? 102 THR A HG21 1 
ATOM   952  H  HG22 . THR A 1 60 ? -6.29600  -4.71800  3.50100   1.000 24.18570 ? 102 THR A HG22 1 
ATOM   953  H  HG23 . THR A 1 60 ? -7.00800  -3.81100  2.42300   1.000 24.18570 ? 102 THR A HG23 1 
ATOM   954  N  N    . VAL A 1 61 ? -9.24800  -5.05900  0.34200   1.000 15.95417 ? 103 VAL A N    1 
ATOM   955  C  CA   . VAL A 1 61 ? -9.24600  -4.44900  -0.98600  1.000 14.95640 ? 103 VAL A CA   1 
ATOM   956  C  C    . VAL A 1 61 ? -9.48200  -2.95600  -0.92700  1.000 19.33111 ? 103 VAL A C    1 
ATOM   957  O  O    . VAL A 1 61 ? -10.61300 -2.53300  -0.64200  1.000 24.48306 ? 103 VAL A O    1 
ATOM   958  C  CB   . VAL A 1 61 ? -10.30100 -5.05400  -1.91900  1.000 18.13415 ? 103 VAL A CB   1 
ATOM   959  C  CG1  . VAL A 1 61 ? -10.32000 -4.26700  -3.24600  1.000 23.29775 ? 103 VAL A CG1  1 
ATOM   960  C  CG2  . VAL A 1 61 ? -10.07800 -6.50300  -2.16200  1.000 26.33829 ? 103 VAL A CG2  1 
ATOM   961  H  H    . VAL A 1 61 ? -10.03000 -5.11200  0.69400   1.000 19.16200 ? 103 VAL A H    1 
ATOM   962  H  HA   . VAL A 1 61 ? -8.34600  -4.59800  -1.31700  1.000 17.96468 ? 103 VAL A HA   1 
ATOM   963  H  HB   . VAL A 1 61 ? -11.16700 -4.98300  -1.48900  1.000 21.77798 ? 103 VAL A HB   1 
ATOM   964  H  HG11 . VAL A 1 61 ? -10.68000 -4.83600  -3.94400  1.000 27.97430 ? 103 VAL A HG11 1 
ATOM   965  H  HG12 . VAL A 1 61 ? -10.87800 -3.48100  -3.13800  1.000 27.97430 ? 103 VAL A HG12 1 
ATOM   966  H  HG13 . VAL A 1 61 ? -9.41400  -4.00200  -3.46900  1.000 27.97430 ? 103 VAL A HG13 1 
ATOM   967  H  HG21 . VAL A 1 61 ? -10.82600 -6.85700  -2.66900  1.000 31.62295 ? 103 VAL A HG21 1 
ATOM   968  H  HG22 . VAL A 1 61 ? -9.25600  -6.61600  -2.66400  1.000 31.62295 ? 103 VAL A HG22 1 
ATOM   969  H  HG23 . VAL A 1 61 ? -10.01000 -6.96000  -1.30900  1.000 31.62295 ? 103 VAL A HG23 1 
ATOM   970  N  N    . MET A 1 62 ? -8.45400  -2.16500  -1.26700  1.000 14.38811 ? 104 MET A N    1 
ATOM   971  C  CA   . MET A 1 62 ? -8.49300  -0.72200  -1.22900  1.000 15.96591 ? 104 MET A CA   1 
ATOM   972  C  C    . MET A 1 62 ? -9.00800  -0.21000  -2.56800  1.000 14.20222 ? 104 MET A C    1 
ATOM   973  O  O    . MET A 1 62 ? -8.60600  -0.69900  -3.63000  1.000 15.79919 ? 104 MET A O    1 
ATOM   974  C  CB   . MET A 1 62 ? -7.08200  -0.21800  -1.00200  1.000 17.18606 ? 104 MET A CB   1 
ATOM   975  C  CG   . MET A 1 62 ? -6.92600  1.26700   -1.05600  1.000 20.47362 ? 104 MET A CG   1 
ATOM   976  S  SD   . MET A 1 62 ? -5.31800  1.82500   -0.44500  1.000 20.48163 ? 104 MET A SD   1 
ATOM   977  C  CE   . MET A 1 62 ? -4.29100  1.28400   -1.78100  1.000 17.32333 ? 104 MET A CE   1 
ATOM   978  H  H    . MET A 1 62 ? -7.69500  -2.46700  -1.53400  1.000 17.28273 ? 104 MET A H    1 
ATOM   979  H  HA   . MET A 1 62 ? -9.07300  -0.40700  -0.51800  1.000 19.17609 ? 104 MET A HA   1 
ATOM   980  H  HB2  . MET A 1 62 ? -6.78900  -0.50900  -0.12400  1.000 20.64027 ? 104 MET A HB2  1 
ATOM   981  H  HB3  . MET A 1 62 ? -6.50700  -0.59500  -1.68600  1.000 20.64027 ? 104 MET A HB3  1 
ATOM   982  H  HG2  . MET A 1 62 ? -7.01600  1.56100   -1.97600  1.000 24.58535 ? 104 MET A HG2  1 
ATOM   983  H  HG3  . MET A 1 62 ? -7.61400  1.67700   -0.50800  1.000 24.58535 ? 104 MET A HG3  1 
ATOM   984  H  HE1  . MET A 1 62 ? -3.36700  1.48900   -1.57200  1.000 20.80499 ? 104 MET A HE1  1 
ATOM   985  H  HE2  . MET A 1 62 ? -4.40000  0.32700   -1.89500  1.000 20.80499 ? 104 MET A HE2  1 
ATOM   986  H  HE3  . MET A 1 62 ? -4.55800  1.74600   -2.59100  1.000 20.80499 ? 104 MET A HE3  1 
ATOM   987  N  N    . VAL A 1 63 ? -9.92100  0.72600   -2.52900  1.000 12.56896 ? 105 VAL A N    1 
ATOM   988  C  CA   . VAL A 1 63 ? -10.43600 1.38300   -3.72500  1.000 13.37983 ? 105 VAL A CA   1 
ATOM   989  C  C    . VAL A 1 63 ? -9.73600  2.71100   -3.86800  1.000 12.75213 ? 105 VAL A C    1 
ATOM   990  O  O    . VAL A 1 63 ? -9.61600  3.47600   -2.91300  1.000 16.17869 ? 105 VAL A O    1 
ATOM   991  C  CB   . VAL A 1 63 ? -11.96000 1.57600   -3.62300  1.000 17.38597 ? 105 VAL A CB   1 
ATOM   992  C  CG1  . VAL A 1 63 ? -12.40100 2.52600   -4.75100  1.000 18.68034 ? 105 VAL A CG1  1 
ATOM   993  C  CG2  . VAL A 1 63 ? -12.67500 0.23500   -3.62000  1.000 18.50576 ? 105 VAL A CG2  1 
ATOM   994  H  H    . VAL A 1 63 ? -10.27600 1.01500   -1.80100  1.000 15.09975 ? 105 VAL A H    1 
ATOM   995  H  HA   . VAL A 1 63 ? -10.24300 0.84500   -4.50900  1.000 16.07279 ? 105 VAL A HA   1 
ATOM   996  H  HB   . VAL A 1 63 ? -12.21300 1.98900   -2.78200  1.000 20.88016 ? 105 VAL A HB   1 
ATOM   997  H  HG11 . VAL A 1 63 ? -13.35300 2.41900   -4.90000  1.000 22.43341 ? 105 VAL A HG11 1 
ATOM   998  H  HG12 . VAL A 1 63 ? -12.20800 3.43900   -4.48900  1.000 22.43341 ? 105 VAL A HG12 1 
ATOM   999  H  HG13 . VAL A 1 63 ? -11.91300 2.30300   -5.56000  1.000 22.43341 ? 105 VAL A HG13 1 
ATOM   1000 H  HG21 . VAL A 1 63 ? -13.63000 0.38700   -3.54300  1.000 22.22392 ? 105 VAL A HG21 1 
ATOM   1001 H  HG22 . VAL A 1 63 ? -12.47900 -0.22800  -4.44900  1.000 22.22392 ? 105 VAL A HG22 1 
ATOM   1002 H  HG23 . VAL A 1 63 ? -12.36100 -0.28800  -2.86600  1.000 22.22392 ? 105 VAL A HG23 1 
ATOM   1003 N  N    . ILE A 1 64 ? -9.25400  2.99100   -5.05100  1.000 12.50437 ? 106 ILE A N    1 
ATOM   1004 C  CA   . ILE A 1 64 ? -8.72300  4.27700   -5.45200  1.000 13.88592 ? 106 ILE A CA   1 
ATOM   1005 C  C    . ILE A 1 64 ? -9.73800  4.89100   -6.38700  1.000 13.66722 ? 106 ILE A C    1 
ATOM   1006 O  O    . ILE A 1 64 ? -10.00000 4.35700   -7.46400  1.000 13.06761 ? 106 ILE A O    1 
ATOM   1007 C  CB   . ILE A 1 64 ? -7.35700  4.09800   -6.08600  1.000 15.57490 ? 106 ILE A CB   1 
ATOM   1008 C  CG1  . ILE A 1 64 ? -6.32900  3.49000   -5.13100  1.000 19.60446 ? 106 ILE A CG1  1 
ATOM   1009 C  CG2  . ILE A 1 64 ? -6.84200  5.44500   -6.62000  1.000 17.66745 ? 106 ILE A CG2  1 
ATOM   1010 C  CD1  . ILE A 1 64 ? -5.69800  4.45700   -4.15200  1.000 25.17783 ? 106 ILE A CD1  1 
ATOM   1011 H  H    . ILE A 1 64 ? -9.22000  2.41500   -5.68900  1.000 15.02225 ? 106 ILE A H    1 
ATOM   1012 H  HA   . ILE A 1 64 ? -8.62100  4.88100   -4.70000  1.000 16.68010 ? 106 ILE A HA   1 
ATOM   1013 H  HB   . ILE A 1 64 ? -7.47200  3.47000   -6.81700  1.000 18.70689 ? 106 ILE A HB   1 
ATOM   1014 H  HG12 . ILE A 1 64 ? -6.76700  2.79800   -4.61200  1.000 23.54236 ? 106 ILE A HG12 1 
ATOM   1015 H  HG13 . ILE A 1 64 ? -5.61200  3.10500   -5.65900  1.000 23.54236 ? 106 ILE A HG13 1 
ATOM   1016 H  HG21 . ILE A 1 64 ? -5.89700  5.36300   -6.82500  1.000 21.21795 ? 106 ILE A HG21 1 
ATOM   1017 H  HG22 . ILE A 1 64 ? -7.33500  5.67700   -7.42200  1.000 21.21795 ? 106 ILE A HG22 1 
ATOM   1018 H  HG23 . ILE A 1 64 ? -6.97500  6.12500   -5.94200  1.000 21.21795 ? 106 ILE A HG23 1 
ATOM   1019 H  HD11 . ILE A 1 64 ? -5.27100  3.95400   -3.44200  1.000 30.23039 ? 106 ILE A HD11 1 
ATOM   1020 H  HD12 . ILE A 1 64 ? -5.04000  4.99500   -4.61900  1.000 30.23039 ? 106 ILE A HD12 1 
ATOM   1021 H  HD13 . ILE A 1 64 ? -6.39000  5.02800   -3.78200  1.000 30.23039 ? 106 ILE A HD13 1 
ATOM   1022 N  N    . ARG A 1 65 ? -10.30800 6.02900   -5.98600  1.000 13.81378 ? 107 ARG A N    1 
ATOM   1023 C  CA   . ARG A 1 65 ? -11.39200 6.61600   -6.78100  1.000 14.59214 ? 107 ARG A CA   1 
ATOM   1024 C  C    . ARG A 1 65 ? -10.90000 7.15800   -8.09900  1.000 16.15549 ? 107 ARG A C    1 
ATOM   1025 O  O    . ARG A 1 65 ? -11.58300 7.01100   -9.12500  1.000 17.57087 ? 107 ARG A O    1 
ATOM   1026 C  CB   . ARG A 1 65 ? -12.04200 7.77300   -6.01000  1.000 16.03115 ? 107 ARG A CB   1 
ATOM   1027 C  CG   . ARG A 1 65 ? -13.02600 7.27300   -4.94800  1.000 26.41943 ? 107 ARG A CG   1 
ATOM   1028 C  CD   . ARG A 1 65 ? -13.42100 8.33500   -3.92700  1.000 30.20259 ? 107 ARG A CD   1 
ATOM   1029 N  NE   . ARG A 1 65 ? -12.25000 8.88500   -3.25200  1.000 34.54563 ? 107 ARG A NE   1 
ATOM   1030 C  CZ   . ARG A 1 65 ? -12.21800 10.06600  -2.65200  1.000 37.35999 ? 107 ARG A CZ   1 
ATOM   1031 N  NH1  . ARG A 1 65 ? -13.29700 10.83900  -2.58300  1.000 27.97148 ? 107 ARG A NH1  1 
ATOM   1032 N  NH2  . ARG A 1 65 ? -11.07500 10.49200  -2.11300  1.000 32.11405 ? 107 ARG A NH2  1 
ATOM   1033 H  H    . ARG A 1 65 ? -10.09300 6.47000   -5.27900  1.000 16.59354 ? 107 ARG A H    1 
ATOM   1034 H  HA   . ARG A 1 65 ? -12.04100 5.91400   -6.94400  1.000 17.52758 ? 107 ARG A HA   1 
ATOM   1035 H  HB2  . ARG A 1 65 ? -11.35100 8.28700   -5.56500  1.000 19.25438 ? 107 ARG A HB2  1 
ATOM   1036 H  HB3  . ARG A 1 65 ? -12.52700 8.33700   -6.63200  1.000 19.25438 ? 107 ARG A HB3  1 
ATOM   1037 H  HG2  . ARG A 1 65 ? -13.83600 6.97300   -5.39000  1.000 31.72031 ? 107 ARG A HG2  1 
ATOM   1038 H  HG3  . ARG A 1 65 ? -12.61900 6.53700   -4.46600  1.000 31.72031 ? 107 ARG A HG3  1 
ATOM   1039 H  HD2  . ARG A 1 65 ? -13.88200 9.06000   -4.37800  1.000 36.26011 ? 107 ARG A HD2  1 
ATOM   1040 H  HD3  . ARG A 1 65 ? -14.00100 7.93900   -3.25800  1.000 36.26011 ? 107 ARG A HD3  1 
ATOM   1041 H  HE   . ARG A 1 65 ? -11.53300 8.41100   -3.24200  1.000 41.47176 ? 107 ARG A HE   1 
ATOM   1042 H  HH11 . ARG A 1 65 ? -14.03800 10.57600  -2.93200  1.000 33.58278 ? 107 ARG A HH11 1 
ATOM   1043 H  HH12 . ARG A 1 65 ? -13.25500 11.60200  -2.18900  1.000 33.58278 ? 107 ARG A HH12 1 
ATOM   1044 H  HH21 . ARG A 1 65 ? -10.37000 10.00100  -2.15700  1.000 38.55386 ? 107 ARG A HH21 1 
ATOM   1045 H  HH22 . ARG A 1 65 ? -11.04200 11.25700  -1.72100  1.000 38.55386 ? 107 ARG A HH22 1 
ATOM   1046 N  N    . THR A 1 66 ? -9.74000  7.79300   -8.07900  1.000 13.75603 ? 108 THR A N    1 
ATOM   1047 C  CA   . THR A 1 66 ? -9.10700  8.36500   -9.26000  1.000 13.36938 ? 108 THR A CA   1 
ATOM   1048 C  C    . THR A 1 66 ? -7.74800  8.94000   -8.86700  1.000 15.46313 ? 108 THR A C    1 
ATOM   1049 O  O    . THR A 1 66 ? -7.59800  9.45500   -7.75000  1.000 18.15143 ? 108 THR A O    1 
ATOM   1050 C  CB   . THR A 1 66 ? -9.99800  9.47600   -9.86400  1.000 16.06951 ? 108 THR A CB   1 
ATOM   1051 O  OG1  . THR A 1 66 ? -9.34400  10.01400  -11.02200 1.000 24.10584 ? 108 THR A OG1  1 
ATOM   1052 C  CG2  . THR A 1 66 ? -10.26600 10.59800  -8.89100  1.000 22.24881 ? 108 THR A CG2  1 
ATOM   1053 H  H    . THR A 1 66 ? -9.27700  7.91300   -7.36400  1.000 16.52424 ? 108 THR A H    1 
ATOM   1054 H  HA   . THR A 1 66 ? -8.98500  7.68100   -9.93700  1.000 16.06025 ? 108 THR A HA   1 
ATOM   1055 H  HB   . THR A 1 66 ? -10.85700 9.08900   -10.09500 1.000 19.30041 ? 108 THR A HB   1 
ATOM   1056 H  HG1  . THR A 1 66 ? -9.80600  10.63400  -11.35100 1.000 28.94402 ? 108 THR A HG1  1 
ATOM   1057 H  HG21 . THR A 1 66 ? -10.88700 11.23400  -9.27900  1.000 26.71557 ? 108 THR A HG21 1 
ATOM   1058 H  HG22 . THR A 1 66 ? -10.64800 10.24400  -8.07300  1.000 26.71557 ? 108 THR A HG22 1 
ATOM   1059 H  HG23 . THR A 1 66 ? -9.43800  11.05700  -8.67800  1.000 26.71557 ? 108 THR A HG23 1 
ATOM   1060 N  N    . LEU A 1 67 ? -6.79700  8.91900   -9.78300  1.000 12.80057 ? 109 LEU A N    1 
ATOM   1061 C  CA   . LEU A 1 67 ? -5.47900  9.47800   -9.58200  1.000 14.58054 ? 109 LEU A CA   1 
ATOM   1062 C  C    . LEU A 1 67 ? -5.20300  10.39200  -10.76500 1.000 14.17916 ? 109 LEU A C    1 
ATOM   1063 O  O    . LEU A 1 67 ? -5.31800  9.98400   -11.91900 1.000 15.78899 ? 109 LEU A O    1 
ATOM   1064 C  CB   . LEU A 1 67 ? -4.36900  8.43000   -9.56100  1.000 15.43310 ? 109 LEU A CB   1 
ATOM   1065 C  CG   . LEU A 1 67 ? -4.43700  7.47200   -8.37000  1.000 13.64037 ? 109 LEU A CG   1 
ATOM   1066 C  CD1  . LEU A 1 67 ? -3.32100  6.49500   -8.46600  1.000 16.50953 ? 109 LEU A CD1  1 
ATOM   1067 C  CD2  . LEU A 1 67 ? -4.37400  8.19500   -7.06600  1.000 18.58999 ? 109 LEU A CD2  1 
ATOM   1068 H  H    . LEU A 1 67 ? -6.89700  8.57100   -10.56300 1.000 15.37768 ? 109 LEU A H    1 
ATOM   1069 H  HA   . LEU A 1 67 ? -5.47000  9.94600   -8.73200  1.000 17.51364 ? 109 LEU A HA   1 
ATOM   1070 H  HB2  . LEU A 1 67 ? -4.42800  7.89900   -10.37000 1.000 18.53672 ? 109 LEU A HB2  1 
ATOM   1071 H  HB3  . LEU A 1 67 ? -3.51300  8.88500   -9.52500  1.000 18.53672 ? 109 LEU A HB3  1 
ATOM   1072 H  HG   . LEU A 1 67 ? -5.28700  7.00600   -8.39300  1.000 16.38544 ? 109 LEU A HG   1 
ATOM   1073 H  HD11 . LEU A 1 67 ? -3.38600  5.86900   -7.72700  1.000 19.82844 ? 109 LEU A HD11 1 
ATOM   1074 H  HD12 . LEU A 1 67 ? -3.38900  6.02000   -9.30900  1.000 19.82844 ? 109 LEU A HD12 1 
ATOM   1075 H  HD13 . LEU A 1 67 ? -2.47800  6.97300   -8.42200  1.000 19.82844 ? 109 LEU A HD13 1 
ATOM   1076 H  HD21 . LEU A 1 67 ? -4.15100  7.56300   -6.36500  1.000 22.32499 ? 109 LEU A HD21 1 
ATOM   1077 H  HD22 . LEU A 1 67 ? -3.69300  8.88400   -7.12000  1.000 22.32499 ? 109 LEU A HD22 1 
ATOM   1078 H  HD23 . LEU A 1 67 ? -5.23800  8.59800   -6.88600  1.000 22.32499 ? 109 LEU A HD23 1 
ATOM   1079 N  N    . ASP A 1 68 ? -4.76700  11.63000  -10.50400 1.000 15.06433 ? 110 ASP A N    1 
ATOM   1080 C  CA   . ASP A 1 68 ? -4.22000  12.38100  -11.63400 1.000 17.01566 ? 110 ASP A CA   1 
ATOM   1081 C  C    . ASP A 1 68 ? -2.94200  11.70200  -12.14100 1.000 16.70381 ? 110 ASP A C    1 
ATOM   1082 O  O    . ASP A 1 68 ? -2.19600  11.09800  -11.35700 1.000 15.27917 ? 110 ASP A O    1 
ATOM   1083 C  CB   . ASP A 1 68 ? -3.86200  13.79700  -11.20700 1.000 17.03710 ? 110 ASP A CB   1 
ATOM   1084 C  CG   . ASP A 1 68 ? -5.02900  14.57400  -10.60300 1.000 23.51877 ? 110 ASP A CG   1 
ATOM   1085 O  OD1  . ASP A 1 68 ? -6.21100  14.25100  -10.85400 1.000 27.27806 ? 110 ASP A OD1  1 
ATOM   1086 O  OD2  . ASP A 1 68 ? -4.74400  15.54000  -9.85100  1.000 31.29388 ? 110 ASP A OD2  1 
ATOM   1087 H  H    . ASP A 1 68 ? -4.77700  12.02600  -9.74100  1.000 18.09420 ? 110 ASP A H    1 
ATOM   1088 H  HA   . ASP A 1 68 ? -4.88200  12.41300  -12.34300 1.000 20.43580 ? 110 ASP A HA   1 
ATOM   1089 H  HB2  . ASP A 1 68 ? -3.15900  13.75200  -10.54000 1.000 20.46153 ? 110 ASP A HB2  1 
ATOM   1090 H  HB3  . ASP A 1 68 ? -3.55100  14.28700  -11.98400 1.000 20.46153 ? 110 ASP A HB3  1 
ATOM   1091 N  N    . PRO A 1 69 ? -2.60900  11.81100  -13.44400 1.000 14.51805 ? 111 PRO A N    1 
ATOM   1092 C  CA   . PRO A 1 69 ? -1.34100  11.27600  -13.92600 1.000 13.63051 ? 111 PRO A CA   1 
ATOM   1093 C  C    . PRO A 1 69 ? -0.18600  11.76200  -13.06600 1.000 17.09566 ? 111 PRO A C    1 
ATOM   1094 O  O    . PRO A 1 69 ? -0.14100  12.93400  -12.65800 1.000 16.40759 ? 111 PRO A O    1 
ATOM   1095 C  CB   . PRO A 1 69 ? -1.24000  11.82400  -15.36400 1.000 14.26113 ? 111 PRO A CB   1 
ATOM   1096 C  CG   . PRO A 1 69 ? -2.63900  12.02200  -15.74500 1.000 16.08644 ? 111 PRO A CG   1 
ATOM   1097 C  CD   . PRO A 1 69 ? -3.38300  12.42200  -14.54700 1.000 18.15566 ? 111 PRO A CD   1 
ATOM   1098 H  HA   . PRO A 1 69 ? -1.36100  10.30700  -13.94600 1.000 16.37361 ? 111 PRO A HA   1 
ATOM   1099 H  HB2  . PRO A 1 69 ? -0.75000  12.66100  -15.37300 1.000 17.13036 ? 111 PRO A HB2  1 
ATOM   1100 H  HB3  . PRO A 1 69 ? -0.80500  11.17800  -15.94100 1.000 17.13036 ? 111 PRO A HB3  1 
ATOM   1101 H  HG2  . PRO A 1 69 ? -2.69000  12.71700  -16.42000 1.000 19.32073 ? 111 PRO A HG2  1 
ATOM   1102 H  HG3  . PRO A 1 69 ? -2.99400  11.19100  -16.09800 1.000 19.32073 ? 111 PRO A HG3  1 
ATOM   1103 H  HD2  . PRO A 1 69 ? -3.40300  13.38800  -14.46000 1.000 21.80379 ? 111 PRO A HD2  1 
ATOM   1104 H  HD3  . PRO A 1 69 ? -4.28800  12.07200  -14.56900 1.000 21.80379 ? 111 PRO A HD3  1 
ATOM   1105 N  N    . GLY A 1 70 ? 0.73200   10.87000  -12.74300 1.000 15.52702 ? 112 GLY A N    1 
ATOM   1106 C  CA   . GLY A 1 70 ? 1.82800   11.23000  -11.85300 1.000 16.31334 ? 112 GLY A CA   1 
ATOM   1107 C  C    . GLY A 1 70 ? 2.29200   10.00400  -11.09300 1.000 14.90224 ? 112 GLY A C    1 
ATOM   1108 O  O    . GLY A 1 70 ? 1.86900   8.89300   -11.36500 1.000 15.25126 ? 112 GLY A O    1 
ATOM   1109 H  H    . GLY A 1 70 ? 0.74500   10.05600  -13.02100 1.000 18.64943 ? 112 GLY A H    1 
ATOM   1110 H  HA2  . GLY A 1 70 ? 2.57000   11.58300  -12.36700 1.000 19.59301 ? 112 GLY A HA2  1 
ATOM   1111 H  HA3  . GLY A 1 70 ? 1.53300   11.90300  -11.21900 1.000 19.59301 ? 112 GLY A HA3  1 
ATOM   1112 N  N    . GLU A 1 71 ? 3.21300   10.21500  -10.19000 1.000 12.36651 ? 113 GLU A N    1 
ATOM   1113 C  CA   . GLU A 1 71 ? 3.83500   9.17200   -9.40300  1.000 12.68737 ? 113 GLU A CA   1 
ATOM   1114 C  C    . GLU A 1 71 ? 3.57300   9.37400   -7.92500  1.000 14.17211 ? 113 GLU A C    1 
ATOM   1115 O  O    . GLU A 1 71 ? 3.62300   10.50800  -7.41500  1.000 14.56645 ? 113 GLU A O    1 
ATOM   1116 C  CB   . GLU A 1 71 ? 5.35000   9.11400   -9.69600  1.000 19.11778 ? 113 GLU A CB   1 
ATOM   1117 C  CG   . GLU A 1 71 ? 5.63400   9.01500   -11.20900 1.000 23.90567 ? 113 GLU A CG   1 
ATOM   1118 C  CD   . GLU A 1 71 ? 7.05400   8.66200   -11.56800 1.000 26.27533 ? 113 GLU A CD   1 
ATOM   1119 O  OE1  . GLU A 1 71 ? 7.91400   8.61400   -10.67900 1.000 27.41344 ? 113 GLU A OE1  1 
ATOM   1120 O  OE2  . GLU A 1 71 ? 7.29200   8.42000   -12.78300 1.000 31.08243 ? 113 GLU A OE2  1 
ATOM   1121 H  H    . GLU A 1 71 ? 3.51600   10.99700  -10.00000 1.000 14.85681 ? 113 GLU A H    1 
ATOM   1122 H  HA   . GLU A 1 71 ? 3.44400   8.31400   -9.63000  1.000 15.24185 ? 113 GLU A HA   1 
ATOM   1123 H  HB2  . GLU A 1 71 ? 5.77100   9.92000   -9.35900  1.000 22.95834 ? 113 GLU A HB2  1 
ATOM   1124 H  HB3  . GLU A 1 71 ? 5.73000   8.33400   -9.26200  1.000 22.95834 ? 113 GLU A HB3  1 
ATOM   1125 H  HG2  . GLU A 1 71 ? 5.06100   8.32900   -11.58500 1.000 28.70380 ? 113 GLU A HG2  1 
ATOM   1126 H  HG3  . GLU A 1 71 ? 5.43600   9.87200   -11.61600 1.000 28.70380 ? 113 GLU A HG3  1 
ATOM   1127 N  N    . TYR A 1 72 ? 3.23300   8.29000   -7.22400  1.000 11.61145 ? 114 TYR A N    1 
ATOM   1128 C  CA   . TYR A 1 72 ? 2.74000   8.36800   -5.85500  1.000 11.00259 ? 114 TYR A CA   1 
ATOM   1129 C  C    . TYR A 1 72 ? 3.50100   7.39000   -4.98200  1.000 11.70633 ? 114 TYR A C    1 
ATOM   1130 O  O    . TYR A 1 72 ? 3.16800   6.19500   -4.93600  1.000 10.74978 ? 114 TYR A O    1 
ATOM   1131 C  CB   . TYR A 1 72 ? 1.24600   8.09500   -5.83500  1.000 12.12770 ? 114 TYR A CB   1 
ATOM   1132 C  CG   . TYR A 1 72 ? 0.52400   9.10100   -6.69500  1.000 14.31602 ? 114 TYR A CG   1 
ATOM   1133 C  CD1  . TYR A 1 72 ? 0.16600   10.34100  -6.15500  1.000 19.35447 ? 114 TYR A CD1  1 
ATOM   1134 C  CD2  . TYR A 1 72 ? 0.14700   8.80200   -7.99800  1.000 14.29557 ? 114 TYR A CD2  1 
ATOM   1135 C  CE1  . TYR A 1 72 ? -0.45000  11.31100  -6.91300  1.000 22.87944 ? 114 TYR A CE1  1 
ATOM   1136 C  CE2  . TYR A 1 72 ? -0.47800  9.80900   -8.81800  1.000 14.98853 ? 114 TYR A CE2  1 
ATOM   1137 C  CZ   . TYR A 1 72 ? -0.79600  11.02900  -8.21600  1.000 18.54204 ? 114 TYR A CZ   1 
ATOM   1138 O  OH   . TYR A 1 72 ? -1.43400  12.01000  -8.95400  1.000 21.31769 ? 114 TYR A OH   1 
ATOM   1139 H  H    . TYR A 1 72 ? 3.28200   7.48700   -7.52800  1.000 13.95074 ? 114 TYR A H    1 
ATOM   1140 H  HA   . TYR A 1 72 ? 2.90500   9.25100   -5.49000  1.000 13.22011 ? 114 TYR A HA   1 
ATOM   1141 H  HB2  . TYR A 1 72 ? 1.07200   7.20700   -6.18300  1.000 14.57025 ? 114 TYR A HB2  1 
ATOM   1142 H  HB3  . TYR A 1 72 ? 0.91400   8.16700   -4.92600  1.000 14.57025 ? 114 TYR A HB3  1 
ATOM   1143 H  HD1  . TYR A 1 72 ? 0.34800   10.51500  -5.26000  1.000 23.24236 ? 114 TYR A HD1  1 
ATOM   1144 H  HD2  . TYR A 1 72 ? 0.29900   7.95200   -8.34200  1.000 17.17169 ? 114 TYR A HD2  1 
ATOM   1145 H  HE1  . TYR A 1 72 ? -0.63000  12.14800  -6.55000  1.000 27.47233 ? 114 TYR A HE1  1 
ATOM   1146 H  HE2  . TYR A 1 72 ? -0.66300  9.65200   -9.71500  1.000 18.00324 ? 114 TYR A HE2  1 
ATOM   1147 H  HH   . TYR A 1 72 ? -1.51400  11.76200  -9.75300  1.000 25.59823 ? 114 TYR A HH   1 
ATOM   1148 N  N    . PRO A 1 73 ? 4.55000   7.85200   -4.29300  1.000 11.88768 ? 115 PRO A N    1 
ATOM   1149 C  CA   . PRO A 1 73 ? 5.24700   6.94400   -3.38300  1.000 13.73826 ? 115 PRO A CA   1 
ATOM   1150 C  C    . PRO A 1 73 ? 4.33500   6.44600   -2.29000  1.000 11.14778 ? 115 PRO A C    1 
ATOM   1151 O  O    . PRO A 1 73 ? 3.46200   7.18200   -1.81900  1.000 12.15617 ? 115 PRO A O    1 
ATOM   1152 C  CB   . PRO A 1 73 ? 6.38500   7.79300   -2.81000  1.000 12.08584 ? 115 PRO A CB   1 
ATOM   1153 C  CG   . PRO A 1 73 ? 6.63300   8.85400   -3.88500  1.000 13.39853 ? 115 PRO A CG   1 
ATOM   1154 C  CD   . PRO A 1 73 ? 5.25400   9.15200   -4.42600  1.000 12.69902 ? 115 PRO A CD   1 
ATOM   1155 H  HA   . PRO A 1 73 ? 5.61600   6.19400   -3.87400  1.000 16.50291 ? 115 PRO A HA   1 
ATOM   1156 H  HB2  . PRO A 1 73 ? 6.11000   8.19900   -1.97300  1.000 14.52001 ? 115 PRO A HB2  1 
ATOM   1157 H  HB3  . PRO A 1 73 ? 7.17300   7.24500   -2.67000  1.000 14.52001 ? 115 PRO A HB3  1 
ATOM   1158 H  HG2  . PRO A 1 73 ? 7.03200   9.64500   -3.48900  1.000 16.09523 ? 115 PRO A HG2  1 
ATOM   1159 H  HG3  . PRO A 1 73 ? 7.21300   8.50100   -4.57700  1.000 16.09523 ? 115 PRO A HG3  1 
ATOM   1160 H  HD2  . PRO A 1 73 ? 4.81600   9.83800   -3.89900  1.000 15.25583 ? 115 PRO A HD2  1 
ATOM   1161 H  HD3  . PRO A 1 73 ? 5.30000   9.42600   -5.35500  1.000 15.25583 ? 115 PRO A HD3  1 
ATOM   1162 N  N    . PHE A 1 74 ? 4.57200   5.23500   -1.79900  1.000 10.87149 ? 116 PHE A N    1 
ATOM   1163 C  CA   . PHE A 1 74 ? 3.83500   4.68000   -0.66400  1.000 10.25673 ? 116 PHE A CA   1 
ATOM   1164 C  C    . PHE A 1 74 ? 4.73400   3.72400   0.07900   1.000 11.11915 ? 116 PHE A C    1 
ATOM   1165 O  O    . PHE A 1 74 ? 5.75000   3.24100   -0.44400  1.000 11.54300 ? 116 PHE A O    1 
ATOM   1166 C  CB   . PHE A 1 74 ? 2.49000   4.10500   -1.08900  1.000 11.32719 ? 116 PHE A CB   1 
ATOM   1167 C  CG   . PHE A 1 74 ? 2.58900   2.82300   -1.84600  1.000 10.36740 ? 116 PHE A CG   1 
ATOM   1168 C  CD1  . PHE A 1 74 ? 2.72400   2.82200   -3.22300  1.000 10.68167 ? 116 PHE A CD1  1 
ATOM   1169 C  CD2  . PHE A 1 74 ? 2.47900   1.61700   -1.21000  1.000 10.63175 ? 116 PHE A CD2  1 
ATOM   1170 C  CE1  . PHE A 1 74 ? 2.80500   1.63900   -3.96300  1.000 10.99339 ? 116 PHE A CE1  1 
ATOM   1171 C  CE2  . PHE A 1 74 ? 2.58700   0.43300   -1.92700  1.000 13.00365 ? 116 PHE A CE2  1 
ATOM   1172 C  CZ   . PHE A 1 74 ? 2.71500   0.47700   -3.29200  1.000 10.52393 ? 116 PHE A CZ   1 
ATOM   1173 H  H    . PHE A 1 74 ? 5.16800   4.70000   -2.11200  1.000 13.06279 ? 116 PHE A H    1 
ATOM   1174 H  HA   . PHE A 1 74 ? 3.62000   5.37700   -0.02400  1.000 12.32508 ? 116 PHE A HA   1 
ATOM   1175 H  HB2  . PHE A 1 74 ? 1.95900   3.93800   -0.29500  1.000 13.60963 ? 116 PHE A HB2  1 
ATOM   1176 H  HB3  . PHE A 1 74 ? 2.04300   4.75000   -1.65800  1.000 13.60963 ? 116 PHE A HB3  1 
ATOM   1177 H  HD1  . PHE A 1 74 ? 2.76300   3.63600   -3.67100  1.000 12.83501 ? 116 PHE A HD1  1 
ATOM   1178 H  HD2  . PHE A 1 74 ? 2.33100   1.59000   -0.29200  1.000 12.77511 ? 116 PHE A HD2  1 
ATOM   1179 H  HE1  . PHE A 1 74 ? 2.91600   1.65500   -4.88600  1.000 13.20907 ? 116 PHE A HE1  1 
ATOM   1180 H  HE2  . PHE A 1 74 ? 2.57300   -0.38500  -1.48400  1.000 15.62138 ? 116 PHE A HE2  1 
ATOM   1181 H  HZ   . PHE A 1 74 ? 2.74100   -0.32100  -3.76800  1.000 12.64572 ? 116 PHE A HZ   1 
ATOM   1182 N  N    . PHE A 1 75 ? 4.29400   3.31900   1.25400   1.000 10.52134 ? 117 PHE A N    1 
ATOM   1183 C  CA   . PHE A 1 75 ? 5.13700   2.54900   2.15700   1.000 11.01680 ? 117 PHE A CA   1 
ATOM   1184 C  C    . PHE A 1 75 ? 4.24400   1.93400   3.22500   1.000 10.27163 ? 117 PHE A C    1 
ATOM   1185 O  O    . PHE A 1 75 ? 3.04200   2.21100   3.28700   1.000 11.55718 ? 117 PHE A O    1 
ATOM   1186 C  CB   . PHE A 1 75 ? 6.20000   3.38300   2.77800   1.000 12.00406 ? 117 PHE A CB   1 
ATOM   1187 C  CG   . PHE A 1 75 ? 5.67300   4.63800   3.37800   1.000 11.29794 ? 117 PHE A CG   1 
ATOM   1188 C  CD1  . PHE A 1 75 ? 5.57400   5.77400   2.62300   1.000 14.99935 ? 117 PHE A CD1  1 
ATOM   1189 C  CD2  . PHE A 1 75 ? 5.27400   4.69200   4.69900   1.000 14.86826 ? 117 PHE A CD2  1 
ATOM   1190 C  CE1  . PHE A 1 75 ? 5.09800   6.94400   3.16500   1.000 18.07172 ? 117 PHE A CE1  1 
ATOM   1191 C  CE2  . PHE A 1 75 ? 4.79600   5.87800   5.25400   1.000 14.56659 ? 117 PHE A CE2  1 
ATOM   1192 C  CZ   . PHE A 1 75 ? 4.71300   6.99200   4.44300   1.000 16.42237 ? 117 PHE A CZ   1 
ATOM   1193 H  H    . PHE A 1 75 ? 3.50500   3.47600   1.55700   1.000 12.64261 ? 117 PHE A H    1 
ATOM   1194 H  HA   . PHE A 1 75 ? 5.56900   1.83900   1.65700   1.000 13.23716 ? 117 PHE A HA   1 
ATOM   1195 H  HB2  . PHE A 1 75 ? 6.63200   2.87300   3.48100   1.000 14.42188 ? 117 PHE A HB2  1 
ATOM   1196 H  HB3  . PHE A 1 75 ? 6.84800   3.62500   2.09800   1.000 14.42188 ? 117 PHE A HB3  1 
ATOM   1197 H  HD1  . PHE A 1 75 ? 5.83200   5.75400   1.73000   1.000 18.01622 ? 117 PHE A HD1  1 
ATOM   1198 H  HD2  . PHE A 1 75 ? 5.32400   3.92700   5.22500   1.000 17.85891 ? 117 PHE A HD2  1 
ATOM   1199 H  HE1  . PHE A 1 75 ? 5.04400   7.70800   2.63800   1.000 21.70307 ? 117 PHE A HE1  1 
ATOM   1200 H  HE2  . PHE A 1 75 ? 4.54000   5.91800   6.14700   1.000 17.49691 ? 117 PHE A HE2  1 
ATOM   1201 H  HZ   . PHE A 1 75 ? 4.38300   7.78800   4.79200   1.000 19.72384 ? 117 PHE A HZ   1 
ATOM   1202 N  N    . ASP A 1 76 ? 4.76500   0.97400   3.93500   1.000 10.38948 ? 118 ASP A N    1 
ATOM   1203 C  CA   . ASP A 1 76 ? 4.13900   0.39600   5.13200   1.000 11.03063 ? 118 ASP A CA   1 
ATOM   1204 C  C    . ASP A 1 76 ? 4.47000   1.31500   6.30900   1.000 9.55800  ? 118 ASP A C    1 
ATOM   1205 O  O    . ASP A 1 76 ? 5.58700   1.30700   6.83600   1.000 11.03030 ? 118 ASP A O    1 
ATOM   1206 C  CB   . ASP A 1 76 ? 4.66900   -0.98300  5.41900   1.000 11.05825 ? 118 ASP A CB   1 
ATOM   1207 C  CG   . ASP A 1 76 ? 4.04100   -1.60000  6.62700   1.000 12.68212 ? 118 ASP A CG   1 
ATOM   1208 O  OD1  . ASP A 1 76 ? 3.20800   -0.96100  7.29600   1.000 11.78167 ? 118 ASP A OD1  1 
ATOM   1209 O  OD2  . ASP A 1 76 ? 4.37400   -2.76900  6.89600   1.000 12.62293 ? 118 ASP A OD2  1 
ATOM   1210 H  H    . ASP A 1 76 ? 5.52000   0.60700   3.74900   1.000 12.48438 ? 118 ASP A H    1 
ATOM   1211 H  HA   . ASP A 1 76 ? 3.18100   0.34300   4.99000   1.000 13.25376 ? 118 ASP A HA   1 
ATOM   1212 H  HB2  . ASP A 1 76 ? 4.48700   -1.55700  4.65800   1.000 13.28690 ? 118 ASP A HB2  1 
ATOM   1213 H  HB3  . ASP A 1 76 ? 5.62600   -0.92900  5.57200   1.000 13.28690 ? 118 ASP A HB3  1 
ATOM   1214 N  N    . ASP A 1 77 ? 3.50200   2.09500   6.75200   1.000 10.28071 ? 119 ASP A N    1 
ATOM   1215 C  CA   . ASP A 1 77 ? 3.71200   3.09900   7.79000   1.000 12.48051 ? 119 ASP A CA   1 
ATOM   1216 C  C    . ASP A 1 77 ? 4.02600   2.42500   9.10700   1.000 13.43201 ? 119 ASP A C    1 
ATOM   1217 O  O    . ASP A 1 77 ? 4.57900   3.12500   9.99900   1.000 15.47502 ? 119 ASP A O    1 
ATOM   1218 C  CB   . ASP A 1 77 ? 2.47400   3.97800   7.95600   1.000 15.27731 ? 119 ASP A CB   1 
ATOM   1219 C  CG   . ASP A 1 77 ? 2.81300   5.27600   8.70400   1.000 18.15888 ? 119 ASP A CG   1 
ATOM   1220 O  OD1  . ASP A 1 77 ? 3.90700   5.82300   8.37500   1.000 14.88073 ? 119 ASP A OD1  1 
ATOM   1221 O  OD2  . ASP A 1 77 ? 1.98300   5.68800   9.60600   1.000 16.40733 ? 119 ASP A OD2  1 
ATOM   1222 H  H    . ASP A 1 77 ? 2.69200   2.06700   6.46500   1.000 12.35385 ? 119 ASP A H    1 
ATOM   1223 H  HA   . ASP A 1 77 ? 4.44200   3.68200   7.53100   1.000 14.99361 ? 119 ASP A HA   1 
ATOM   1224 H  HB2  . ASP A 1 77 ? 2.12400   4.21000   7.08200   1.000 18.34977 ? 119 ASP A HB2  1 
ATOM   1225 H  HB3  . ASP A 1 77 ? 1.80300   3.49700   8.46500   1.000 18.34977 ? 119 ASP A HB3  1 
ATOM   1226 N  N    . PHE A 1 78 ? 3.64900   1.16400   9.28000   1.000 11.09332 ? 120 PHE A N    1 
ATOM   1227 C  CA   . PHE A 1 78 ? 3.87000   0.47100   10.55000  1.000 10.94217 ? 120 PHE A CA   1 
ATOM   1228 C  C    . PHE A 1 78 ? 5.26300   -0.12700  10.65200  1.000 15.93314 ? 120 PHE A C    1 
ATOM   1229 O  O    . PHE A 1 78 ? 5.67900   -0.56500  11.73600  1.000 17.95900 ? 120 PHE A O    1 
ATOM   1230 C  CB   . PHE A 1 78 ? 2.81700   -0.58900  10.84000  1.000 11.48727 ? 120 PHE A CB   1 
ATOM   1231 C  CG   . PHE A 1 78 ? 1.42600   -0.05300  11.14800  1.000 11.60366 ? 120 PHE A CG   1 
ATOM   1232 C  CD1  . PHE A 1 78 ? 1.17200   1.28700   11.35800  1.000 12.03066 ? 120 PHE A CD1  1 
ATOM   1233 C  CD2  . PHE A 1 78 ? 0.39200   -0.98600  11.27300  1.000 10.82563 ? 120 PHE A CD2  1 
ATOM   1234 C  CE1  . PHE A 1 78 ? -0.15600  1.69500   11.69500  1.000 12.91225 ? 120 PHE A CE1  1 
ATOM   1235 C  CE2  . PHE A 1 78 ? -0.88400  -0.55500  11.63400  1.000 12.14232 ? 120 PHE A CE2  1 
ATOM   1236 C  CZ   . PHE A 1 78 ? -1.13000  0.76900   11.82000  1.000 14.59974 ? 120 PHE A CZ   1 
ATOM   1237 H  H    . PHE A 1 78 ? 3.26200   0.68500   8.67900   1.000 13.32898 ? 120 PHE A H    1 
ATOM   1238 H  HA   . PHE A 1 78 ? 3.76400   1.12500   11.25900  1.000 13.14761 ? 120 PHE A HA   1 
ATOM   1239 H  HB2  . PHE A 1 78 ? 2.74000   -1.16500  10.06300  1.000 13.80173 ? 120 PHE A HB2  1 
ATOM   1240 H  HB3  . PHE A 1 78 ? 3.10500   -1.10500  11.60800  1.000 13.80173 ? 120 PHE A HB3  1 
ATOM   1241 H  HD1  . PHE A 1 78 ? 1.85400   1.91500   11.28100  1.000 14.45380 ? 120 PHE A HD1  1 
ATOM   1242 H  HD2  . PHE A 1 78 ? 0.55500   -1.88800  11.11800  1.000 13.00776 ? 120 PHE A HD2  1 
ATOM   1243 H  HE1  . PHE A 1 78 ? -0.34900  2.59600   11.82700  1.000 15.51171 ? 120 PHE A HE1  1 
ATOM   1244 H  HE2  . PHE A 1 78 ? -1.56900  -1.17400  11.74800  1.000 14.58779 ? 120 PHE A HE2  1 
ATOM   1245 H  HZ   . PHE A 1 78 ? -1.99100  1.04400   12.03900  1.000 17.53670 ? 120 PHE A HZ   1 
ATOM   1246 N  N    . HIS A 1 79 ? 5.99100   -0.18200  9.54400   1.000 13.16201 ? 121 HIS A N    1 
ATOM   1247 C  CA   . HIS A 1 79 ? 7.35100   -0.71500  9.48600   1.000 13.44744 ? 121 HIS A CA   1 
ATOM   1248 C  C    . HIS A 1 79 ? 8.24800   0.33800   8.83700   1.000 15.70674 ? 121 HIS A C    1 
ATOM   1249 O  O    . HIS A 1 79 ? 8.54900   0.24500   7.65300   1.000 16.39767 ? 121 HIS A O    1 
ATOM   1250 C  CB   . HIS A 1 79 ? 7.35900   -2.02500  8.69800   1.000 15.56123 ? 121 HIS A CB   1 
ATOM   1251 C  CG   . HIS A 1 79 ? 8.65400   -2.76600  8.79500   1.000 13.86082 ? 121 HIS A CG   1 
ATOM   1252 N  ND1  . HIS A 1 79 ? 8.77000   -3.99200  9.41400   1.000 16.86445 ? 121 HIS A ND1  1 
ATOM   1253 C  CD2  . HIS A 1 79 ? 9.90200   -2.42300  8.40500   1.000 17.41789 ? 121 HIS A CD2  1 
ATOM   1254 C  CE1  . HIS A 1 79 ? 10.04300  -4.36900  9.37300   1.000 17.60771 ? 121 HIS A CE1  1 
ATOM   1255 N  NE2  . HIS A 1 79 ? 10.74600  -3.41400  8.80900   1.000 18.60631 ? 121 HIS A NE2  1 
ATOM   1256 H  H    . HIS A 1 79 ? 5.70800   0.09400   8.78000   1.000 15.81141 ? 121 HIS A H    1 
ATOM   1257 H  HA   . HIS A 1 79 ? 7.68900   -0.88200  10.38000  1.000 16.15393 ? 121 HIS A HA   1 
ATOM   1258 H  HB2  . HIS A 1 79 ? 6.65900   -2.60200  9.04200   1.000 18.69048 ? 121 HIS A HB2  1 
ATOM   1259 H  HB3  . HIS A 1 79 ? 7.19700   -1.82900  7.76200   1.000 18.69048 ? 121 HIS A HB3  1 
ATOM   1260 H  HD1  . HIS A 1 79 ? 8.12500   -4.43900  9.76700   1.000 20.25434 ? 121 HIS A HD1  1 
ATOM   1261 H  HD2  . HIS A 1 79 ? 10.14200  -1.65200  7.94400   1.000 20.91847 ? 121 HIS A HD2  1 
ATOM   1262 H  HE1  . HIS A 1 79 ? 10.38100  -5.17500  9.69100   1.000 21.14626 ? 121 HIS A HE1  1 
ATOM   1263 N  N    . PRO A 1 80 ? 8.68500   1.34000   9.57500   1.000 16.24747 ? 122 PRO A N    1 
ATOM   1264 C  CA   . PRO A 1 80 ? 9.60100   2.32100   8.99800   1.000 20.23104 ? 122 PRO A CA   1 
ATOM   1265 C  C    . PRO A 1 80 ? 10.88200  1.65000   8.53000   1.000 17.45373 ? 122 PRO A C    1 
ATOM   1266 O  O    . PRO A 1 80 ? 11.36400  0.65200   9.06300   1.000 19.75689 ? 122 PRO A O    1 
ATOM   1267 C  CB   . PRO A 1 80 ? 9.86900   3.30000   10.14500  1.000 23.50203 ? 122 PRO A CB   1 
ATOM   1268 C  CG   . PRO A 1 80 ? 9.04900   2.85700   11.26600  1.000 20.95186 ? 122 PRO A CG   1 
ATOM   1269 C  CD   . PRO A 1 80 ? 8.15300   1.73600   10.88600  1.000 21.19611 ? 122 PRO A CD   1 
ATOM   1270 H  HA   . PRO A 1 80 ? 9.18100   2.79700   8.26400   1.000 24.29425 ? 122 PRO A HA   1 
ATOM   1271 H  HB2  . PRO A 1 80 ? 10.81000  3.27500   10.37900  1.000 28.21944 ? 122 PRO A HB2  1 
ATOM   1272 H  HB3  . PRO A 1 80 ? 9.61900   4.19600   9.87100   1.000 28.21944 ? 122 PRO A HB3  1 
ATOM   1273 H  HG2  . PRO A 1 80 ? 9.64200   2.56800   11.97700  1.000 25.15924 ? 122 PRO A HG2  1 
ATOM   1274 H  HG3  . PRO A 1 80 ? 8.51500   3.60900   11.56500  1.000 25.15924 ? 122 PRO A HG3  1 
ATOM   1275 H  HD2  . PRO A 1 80 ? 8.21600   1.00800   11.52300  1.000 25.45234 ? 122 PRO A HD2  1 
ATOM   1276 H  HD3  . PRO A 1 80 ? 7.23300   2.03500   10.81400  1.000 25.45234 ? 122 PRO A HD3  1 
ATOM   1277 N  N    . GLY A 1 81 ? 11.44500  2.21700   7.48300   1.000 17.89817 ? 123 GLY A N    1 
ATOM   1278 C  CA   . GLY A 1 81 ? 12.62700  1.63600   6.88500   1.000 21.45884 ? 123 GLY A CA   1 
ATOM   1279 C  C    . GLY A 1 81 ? 12.38400  0.47400   5.95200   1.000 16.23310 ? 123 GLY A C    1 
ATOM   1280 O  O    . GLY A 1 81 ? 13.36100  -0.17700  5.52500   1.000 23.52787 ? 123 GLY A O    1 
ATOM   1281 H  H    . GLY A 1 81 ? 11.16300  2.93400   7.10200   1.000 21.49480 ? 123 GLY A H    1 
ATOM   1282 H  HA2  . GLY A 1 81 ? 13.08700  2.32600   6.38000   1.000 25.76762 ? 123 GLY A HA2  1 
ATOM   1283 H  HA3  . GLY A 1 81 ? 13.21000  1.32400   7.59500   1.000 25.76762 ? 123 GLY A HA3  1 
ATOM   1284 N  N    . GLY A 1 82 ? 11.13300  0.18200   5.61200   1.000 15.97594 ? 124 GLY A N    1 
ATOM   1285 C  CA   . GLY A 1 82 ? 10.80700  -0.89200  4.68700   1.000 16.75792 ? 124 GLY A CA   1 
ATOM   1286 C  C    . GLY A 1 82 ? 10.88200  -0.42100  3.23800   1.000 14.64209 ? 124 GLY A C    1 
ATOM   1287 O  O    . GLY A 1 82 ? 11.49300  0.60900   2.92000   1.000 17.05440 ? 124 GLY A O    1 
ATOM   1288 H  H    . GLY A 1 82 ? 10.44400  0.60100   5.91000   1.000 19.18814 ? 124 GLY A H    1 
ATOM   1289 H  HA2  . GLY A 1 82 ? 11.43100  -1.62500  4.80800   1.000 20.12651 ? 124 GLY A HA2  1 
ATOM   1290 H  HA3  . GLY A 1 82 ? 9.90800   -1.21000  4.86400   1.000 20.12651 ? 124 GLY A HA3  1 
ATOM   1291 N  N    . THR A 1 83 ? 10.25200  -1.19700  2.34200   1.000 13.47550 ? 125 THR A N    1 
ATOM   1292 C  CA   . THR A 1 83 ? 10.32300  -0.84000  0.92100   1.000 12.85452 ? 125 THR A CA   1 
ATOM   1293 C  C    . THR A 1 83 ? 9.66800   0.51300   0.64000   1.000 14.16043 ? 125 THR A C    1 
ATOM   1294 O  O    . THR A 1 83 ? 8.46800   0.67200   0.90300   1.000 13.15768 ? 125 THR A O    1 
ATOM   1295 C  CB   . THR A 1 83 ? 9.52000   -1.86500  0.08400   1.000 14.51413 ? 125 THR A CB   1 
ATOM   1296 O  OG1  . THR A 1 83 ? 9.93100   -3.19100  0.36400   1.000 15.12842 ? 125 THR A OG1  1 
ATOM   1297 C  CG2  . THR A 1 83 ? 9.64000   -1.62500  -1.40500  1.000 14.63008 ? 125 THR A CG2  1 
ATOM   1298 H  H    . THR A 1 83 ? 9.79800   -1.90400  2.52600   1.000 16.18760 ? 125 THR A H    1 
ATOM   1299 H  HA   . THR A 1 83 ? 11.26300  -0.81900  0.68100   1.000 15.44242 ? 125 THR A HA   1 
ATOM   1300 H  HB   . THR A 1 83 ? 8.58800   -1.75600  0.33000   1.000 17.43396 ? 125 THR A HB   1 
ATOM   1301 H  HG1  . THR A 1 83 ? 10.75500  -3.27400  0.21900   1.000 18.17111 ? 125 THR A HG1  1 
ATOM   1302 H  HG21 . THR A 1 83 ? 9.24900   -2.36600  -1.89400  1.000 17.57310 ? 125 THR A HG21 1 
ATOM   1303 H  HG22 . THR A 1 83 ? 9.17500   -0.80800  -1.64800  1.000 17.57310 ? 125 THR A HG22 1 
ATOM   1304 H  HG23 . THR A 1 83 ? 10.57400  -1.54100  -1.65400  1.000 17.57310 ? 125 THR A HG23 1 
ATOM   1305 N  N    . PRO A 1 84 ? 10.35400  1.45300   0.00700   1.000 13.50072 ? 126 PRO A N    1 
ATOM   1306 C  CA   . PRO A 1 84 ? 9.69500   2.63300   -0.55700  1.000 14.30956 ? 126 PRO A CA   1 
ATOM   1307 C  C    . PRO A 1 84 ? 9.09300   2.26400   -1.90700  1.000 12.52869 ? 126 PRO A C    1 
ATOM   1308 O  O    . PRO A 1 84 ? 9.83700   2.20000   -2.92200  1.000 17.22596 ? 126 PRO A O    1 
ATOM   1309 C  CB   . PRO A 1 84 ? 10.81400  3.68100   -0.69400  1.000 16.83658 ? 126 PRO A CB   1 
ATOM   1310 C  CG   . PRO A 1 84 ? 12.06600  2.96300   -0.45400  1.000 18.80215 ? 126 PRO A CG   1 
ATOM   1311 C  CD   . PRO A 1 84 ? 11.82600  1.51900   -0.15000  1.000 16.17160 ? 126 PRO A CD   1 
ATOM   1312 H  HA   . PRO A 1 84 ? 9.03200   3.00300   0.04700   1.000 17.18848 ? 126 PRO A HA   1 
ATOM   1313 H  HB2  . PRO A 1 84 ? 10.80000  4.05900   -1.58700  1.000 20.22090 ? 126 PRO A HB2  1 
ATOM   1314 H  HB3  . PRO A 1 84 ? 10.68800  4.38100   -0.03500  1.000 20.22090 ? 126 PRO A HB3  1 
ATOM   1315 H  HG2  . PRO A 1 84 ? 12.61500  3.03700   -1.25100  1.000 22.57959 ? 126 PRO A HG2  1 
ATOM   1316 H  HG3  . PRO A 1 84 ? 12.51500  3.38100   0.29800   1.000 22.57959 ? 126 PRO A HG3  1 
ATOM   1317 H  HD2  . PRO A 1 84 ? 12.12200  0.95700   -0.88200  1.000 19.42293 ? 126 PRO A HD2  1 
ATOM   1318 H  HD3  . PRO A 1 84 ? 12.27300  1.25900   0.67100   1.000 19.42293 ? 126 PRO A HD3  1 
ATOM   1319 N  N    . ALA A 1 85 ? 7.81700   2.00300   -1.99400  1.000 11.80542 ? 127 ALA A N    1 
ATOM   1320 C  CA   . ALA A 1 85 ? 7.12700   1.57300   -3.20400  1.000 11.34484 ? 127 ALA A CA   1 
ATOM   1321 C  C    . ALA A 1 85 ? 6.51900   2.75100   -3.91800  1.000 10.89709 ? 127 ALA A C    1 
ATOM   1322 O  O    . ALA A 1 85 ? 6.54800   3.86800   -3.44000  1.000 10.85858 ? 127 ALA A O    1 
ATOM   1323 C  CB   . ALA A 1 85 ? 6.00300   0.60000   -2.76900  1.000 12.39133 ? 127 ALA A CB   1 
ATOM   1324 H  H    . ALA A 1 85 ? 7.28000   2.07000   -1.32500  1.000 14.18351 ? 127 ALA A H    1 
ATOM   1325 H  HA   . ALA A 1 85 ? 7.75600   1.15000   -3.81000  1.000 13.63081 ? 127 ALA A HA   1 
ATOM   1326 H  HB1  . ALA A 1 85 ? 5.53200   0.28900   -3.55700  1.000 14.88660 ? 127 ALA A HB1  1 
ATOM   1327 H  HB2  . ALA A 1 85 ? 6.40000   -0.15300  -2.30300  1.000 14.88660 ? 127 ALA A HB2  1 
ATOM   1328 H  HB3  . ALA A 1 85 ? 5.39100   1.06800   -2.18000  1.000 14.88660 ? 127 ALA A HB3  1 
ATOM   1329 N  N    . ILE A 1 86 ? 5.95500   2.48800   -5.12300  1.000 11.80420 ? 128 ILE A N    1 
ATOM   1330 C  CA   . ILE A 1 86 ? 5.39800   3.59900   -5.89200  1.000 10.45135 ? 128 ILE A CA   1 
ATOM   1331 C  C    . ILE A 1 86 ? 4.27100   3.14700   -6.78600  1.000 10.23354 ? 128 ILE A C    1 
ATOM   1332 O  O    . ILE A 1 86 ? 4.34000   2.07400   -7.40600  1.000 10.89434 ? 128 ILE A O    1 
ATOM   1333 C  CB   . ILE A 1 86 ? 6.53000   4.28100   -6.67000  1.000 11.72413 ? 128 ILE A CB   1 
ATOM   1334 C  CG1  . ILE A 1 86 ? 6.13900   5.69500   -7.12400  1.000 13.97136 ? 128 ILE A CG1  1 
ATOM   1335 C  CG2  . ILE A 1 86 ? 7.03800   3.39600   -7.82200  1.000 13.80884 ? 128 ILE A CG2  1 
ATOM   1336 C  CD1  . ILE A 1 86 ? 7.35000   6.57400   -7.54900  1.000 17.17473 ? 128 ILE A CD1  1 
ATOM   1337 H  H    . ILE A 1 86 ? 5.89200   1.71100   -5.48600  1.000 14.18204 ? 128 ILE A H    1 
ATOM   1338 H  HA   . ILE A 1 86 ? 4.98100   4.23000   -5.28400  1.000 12.55863 ? 128 ILE A HA   1 
ATOM   1339 H  HB   . ILE A 1 86 ? 7.27700   4.39300   -6.06100  1.000 14.08596 ? 128 ILE A HB   1 
ATOM   1340 H  HG12 . ILE A 1 86 ? 5.54300   5.62400   -7.88600  1.000 16.78263 ? 128 ILE A HG12 1 
ATOM   1341 H  HG13 . ILE A 1 86 ? 5.68900   6.14500   -6.39200  1.000 16.78263 ? 128 ILE A HG13 1 
ATOM   1342 H  HG21 . ILE A 1 86 ? 7.83200   3.80000   -8.20500  1.000 16.58761 ? 128 ILE A HG21 1 
ATOM   1343 H  HG22 . ILE A 1 86 ? 7.24900   2.51600   -7.47500  1.000 16.58761 ? 128 ILE A HG22 1 
ATOM   1344 H  HG23 . ILE A 1 86 ? 6.34400   3.32800   -8.49700  1.000 16.58761 ? 128 ILE A HG23 1 
ATOM   1345 H  HD11 . ILE A 1 86 ? 7.05800   7.49600   -7.62800  1.000 20.62668 ? 128 ILE A HD11 1 
ATOM   1346 H  HD12 . ILE A 1 86 ? 8.04400   6.50400   -6.87500  1.000 20.62668 ? 128 ILE A HD12 1 
ATOM   1347 H  HD13 . ILE A 1 86 ? 7.68500   6.25900   -8.40300  1.000 20.62668 ? 128 ILE A HD13 1 
ATOM   1348 N  N    . LEU A 1 87 ? 3.23000   3.97400   -6.90900  1.000 9.78081  ? 129 LEU A N    1 
ATOM   1349 C  CA   . LEU A 1 87 ? 2.19600   3.84500   -7.92500  1.000 9.96448  ? 129 LEU A CA   1 
ATOM   1350 C  C    . LEU A 1 87 ? 2.51600   4.80700   -9.04500  1.000 12.02702 ? 129 LEU A C    1 
ATOM   1351 O  O    . LEU A 1 87 ? 2.76000   5.97700   -8.77300  1.000 13.79770 ? 129 LEU A O    1 
ATOM   1352 C  CB   . LEU A 1 87 ? 0.82000   4.23600   -7.37300  1.000 13.39822 ? 129 LEU A CB   1 
ATOM   1353 C  CG   . LEU A 1 87 ? 0.29700   3.35300   -6.26400  1.000 12.66578 ? 129 LEU A CG   1 
ATOM   1354 C  CD1  . LEU A 1 87 ? -1.09000  3.97700   -5.82800  1.000 15.17610 ? 129 LEU A CD1  1 
ATOM   1355 C  CD2  . LEU A 1 87 ? 0.20700   1.86700   -6.58900  1.000 13.73839 ? 129 LEU A CD2  1 
ATOM   1356 H  H    . LEU A 1 87 ? 3.09900   4.64700   -6.38900  1.000 11.75398 ? 129 LEU A H    1 
ATOM   1357 H  HA   . LEU A 1 87 ? 2.17200   2.92800   -8.23900  1.000 11.97438 ? 129 LEU A HA   1 
ATOM   1358 H  HB2  . LEU A 1 87 ? 0.87700   5.13900   -7.02300  1.000 16.09487 ? 129 LEU A HB2  1 
ATOM   1359 H  HB3  . LEU A 1 87 ? 0.17800   4.20100   -8.09900  1.000 16.09487 ? 129 LEU A HB3  1 
ATOM   1360 H  HG   . LEU A 1 87 ? 0.93100   3.34200   -5.53000  1.000 15.21594 ? 129 LEU A HG   1 
ATOM   1361 H  HD11 . LEU A 1 87 ? -1.46600  3.44200   -5.11100  1.000 18.22832 ? 129 LEU A HD11 1 
ATOM   1362 H  HD12 . LEU A 1 87 ? -0.94400  4.88600   -5.52100  1.000 18.22832 ? 129 LEU A HD12 1 
ATOM   1363 H  HD13 . LEU A 1 87 ? -1.68900  3.97700   -6.59000  1.000 18.22832 ? 129 LEU A HD13 1 
ATOM   1364 H  HD21 . LEU A 1 87 ? -0.21000  1.40600   -5.84400  1.000 16.50307 ? 129 LEU A HD21 1 
ATOM   1365 H  HD22 . LEU A 1 87 ? -0.32600  1.75100   -7.39000  1.000 16.50307 ? 129 LEU A HD22 1 
ATOM   1366 H  HD23 . LEU A 1 87 ? 1.10100   1.52100   -6.73300  1.000 16.50307 ? 129 LEU A HD23 1 
ATOM   1367 N  N    . ILE A 1 88 ? 2.47600   4.36500   -10.29100 1.000 12.82568 ? 130 ILE A N    1 
ATOM   1368 C  CA   . ILE A 1 88 ? 2.75200   5.20900   -11.45500 1.000 12.89242 ? 130 ILE A CA   1 
ATOM   1369 C  C    . ILE A 1 88 ? 1.44600   5.27800   -12.22800 1.000 12.04627 ? 130 ILE A C    1 
ATOM   1370 O  O    . ILE A 1 88 ? 1.04300   4.28100   -12.83000 1.000 14.16645 ? 130 ILE A O    1 
ATOM   1371 C  CB   . ILE A 1 88 ? 3.87000   4.58600   -12.28700 1.000 15.15066 ? 130 ILE A CB   1 
ATOM   1372 C  CG1  . ILE A 1 88 ? 5.13700   4.55100   -11.44600 1.000 20.52277 ? 130 ILE A CG1  1 
ATOM   1373 C  CG2  . ILE A 1 88 ? 4.08800   5.43000   -13.56300 1.000 20.01403 ? 130 ILE A CG2  1 
ATOM   1374 C  CD1  . ILE A 1 88 ? 6.08200   3.55800   -11.84600 1.000 28.27646 ? 130 ILE A CD1  1 
ATOM   1375 H  H    . ILE A 1 88 ? 2.28700   3.55300   -10.50000 1.000 15.40782 ? 130 ILE A H    1 
ATOM   1376 H  HA   . ILE A 1 88 ? 3.00800   6.11000   -11.20400 1.000 15.48791 ? 130 ILE A HA   1 
ATOM   1377 H  HB   . ILE A 1 88 ? 3.63300   3.68300   -12.55000 1.000 18.19779 ? 130 ILE A HB   1 
ATOM   1378 H  HG12 . ILE A 1 88 ? 5.57500   5.41400   -11.50800 1.000 24.64433 ? 130 ILE A HG12 1 
ATOM   1379 H  HG13 . ILE A 1 88 ? 4.89200   4.36800   -10.52500 1.000 24.64433 ? 130 ILE A HG13 1 
ATOM   1380 H  HG21 . ILE A 1 88 ? 4.90600   5.14100   -13.99700 1.000 24.03384 ? 130 ILE A HG21 1 
ATOM   1381 H  HG22 . ILE A 1 88 ? 3.33400   5.30100   -14.16000 1.000 24.03384 ? 130 ILE A HG22 1 
ATOM   1382 H  HG23 . ILE A 1 88 ? 4.15800   6.36500   -13.31500 1.000 24.03384 ? 130 ILE A HG23 1 
ATOM   1383 H  HD11 . ILE A 1 88 ? 6.83000   3.56700   -11.22800 1.000 33.94876 ? 130 ILE A HD11 1 
ATOM   1384 H  HD12 . ILE A 1 88 ? 5.65200   2.68900   -11.83200 1.000 33.94876 ? 130 ILE A HD12 1 
ATOM   1385 H  HD13 . ILE A 1 88 ? 6.39200   3.76000   -12.74200 1.000 33.94876 ? 130 ILE A HD13 1 
ATOM   1386 N  N    . ALA A 1 89 ? 0.76900   6.40400   -12.15700 1.000 12.37252 ? 131 ALA A N    1 
ATOM   1387 C  CA   . ALA A 1 89 ? -0.55000  6.56400   -12.76800 1.000 13.79270 ? 131 ALA A CA   1 
ATOM   1388 C  C    . ALA A 1 89 ? -0.32800  7.18500   -14.14300 1.000 13.28475 ? 131 ALA A C    1 
ATOM   1389 O  O    . ALA A 1 89 ? 0.21500   8.28300   -14.25200 1.000 14.85759 ? 131 ALA A O    1 
ATOM   1390 C  CB   . ALA A 1 89 ? -1.43200  7.49900   -11.94800 1.000 14.67441 ? 131 ALA A CB   1 
ATOM   1391 H  H    . ALA A 1 89 ? 1.05100   7.11000   -11.75400 1.000 14.86402 ? 131 ALA A H    1 
ATOM   1392 H  HA   . ALA A 1 89 ? -0.99100  5.70300   -12.83100 1.000 16.56824 ? 131 ALA A HA   1 
ATOM   1393 H  HB1  . ALA A 1 89 ? -2.30000  7.56800   -12.37400 1.000 17.62629 ? 131 ALA A HB1  1 
ATOM   1394 H  HB2  . ALA A 1 89 ? -1.53000  7.13600   -11.05300 1.000 17.62629 ? 131 ALA A HB2  1 
ATOM   1395 H  HB3  . ALA A 1 89 ? -1.01300  8.37300   -11.90600 1.000 17.62629 ? 131 ALA A HB3  1 
ATOM   1396 N  N    . LYS A 1 90 ? -0.77500  6.51700   -15.19200 1.000 14.90652 ? 132 LYS A N    1 
ATOM   1397 C  CA   . LYS A 1 90 ? -0.57100  7.04900   -16.54400 1.000 22.05328 ? 132 LYS A CA   1 
ATOM   1398 C  C    . LYS A 1 90 ? -1.65100  6.53700   -17.48100 1.000 26.68307 ? 132 LYS A C    1 
ATOM   1399 O  O    . LYS A 1 90 ? -2.69600  6.00700   -17.05100 1.000 20.31894 ? 132 LYS A O    1 
ATOM   1400 C  CB   . LYS A 1 90 ? 0.85100   6.73800   -17.02200 1.000 29.32013 ? 132 LYS A CB   1 
ATOM   1401 C  CG   . LYS A 1 90 ? 1.06500   5.38200   -17.62300 1.000 33.81348 ? 132 LYS A CG   1 
ATOM   1402 C  CD   . LYS A 1 90 ? 2.45700   5.29300   -18.29500 1.000 38.79446 ? 132 LYS A CD   1 
ATOM   1403 C  CE   . LYS A 1 90 ? 2.51000   4.21100   -19.37600 1.000 42.88304 ? 132 LYS A CE   1 
ATOM   1404 N  NZ   . LYS A 1 90 ? 3.78800   3.42700   -19.36400 1.000 40.37741 ? 132 LYS A NZ   1 
ATOM   1405 O  OXT  . LYS A 1 90 ? -1.53500  6.67200   -18.70300 1.000 25.81105 ? 132 LYS A OXT  1 
ATOM   1406 H  H    . LYS A 1 90 ? -1.19300  5.76700   -15.15700 1.000 17.90483 ? 132 LYS A H    1 
ATOM   1407 H  HA   . LYS A 1 90 ? -0.64600  8.01600   -16.55400 1.000 26.48093 ? 132 LYS A HA   1 
ATOM   1408 H  HB2  . LYS A 1 90 ? 1.09200   7.39100   -17.69800 1.000 35.20115 ? 132 LYS A HB2  1 
ATOM   1409 H  HB3  . LYS A 1 90 ? 1.44800   6.81200   -16.26200 1.000 35.20115 ? 132 LYS A HB3  1 
ATOM   1410 H  HG2  . LYS A 1 90 ? 1.01500   4.70800   -16.92700 1.000 40.59318 ? 132 LYS A HG2  1 
ATOM   1411 H  HG3  . LYS A 1 90 ? 0.38700   5.21400   -18.29600 1.000 40.59318 ? 132 LYS A HG3  1 
ATOM   1412 H  HD2  . LYS A 1 90 ? 2.66500   6.14400   -18.70900 1.000 46.57036 ? 132 LYS A HD2  1 
ATOM   1413 H  HD3  . LYS A 1 90 ? 3.12200   5.07900   -17.62200 1.000 46.57036 ? 132 LYS A HD3  1 
ATOM   1414 H  HE2  . LYS A 1 90 ? 1.77800   3.59000   -19.23600 1.000 51.47665 ? 132 LYS A HE2  1 
ATOM   1415 H  HE3  . LYS A 1 90 ? 2.42700   4.63200   -20.24600 1.000 51.47665 ? 132 LYS A HE3  1 
ATOM   1416 H  HZ1  . LYS A 1 90 ? 3.76200   2.79300   -19.98900 1.000 48.46990 ? 132 LYS A HZ1  1 
ATOM   1417 H  HZ2  . LYS A 1 90 ? 4.47700   3.96600   -19.52800 1.000 48.46990 ? 132 LYS A HZ2  1 
ATOM   1418 H  HZ3  . LYS A 1 90 ? 3.90300   3.04400   -18.56900 1.000 48.46990 ? 132 LYS A HZ3  1 
HETATM 1419 MN MN   . MN  B 2 .  ? 0.00800   6.07700   9.42600   0.880 15.53624 ? 201 MN  A MN   1 
HETATM 1420 MN MN   . MN  C 2 .  ? 5.10300   7.34200   9.28900   0.710 14.19767 ? 202 MN  A MN   1 
HETATM 1421 O  O    . HOH D 3 .  ? 8.454     9.945     -9.438    1.000 36.40154 ? 301 HOH A O    1 
HETATM 1422 O  O    . HOH D 3 .  ? 5.16200   -8.18200  9.66800   1.000 26.72704 ? 302 HOH A O    1 
HETATM 1423 O  O    . HOH D 3 .  ? 1.46600   -10.36800 15.11200  1.000 29.42822 ? 303 HOH A O    1 
HETATM 1424 O  O    . HOH D 3 .  ? -1.94900  6.86800   9.27900   1.000 23.62674 ? 304 HOH A O    1 
HETATM 1425 O  O    . HOH D 3 .  ? 0.04900   10.31300  6.24000   1.000 37.85919 ? 305 HOH A O    1 
HETATM 1426 O  O    . HOH D 3 .  ? 6.701     -1.892    -12.918   1.000 32.95914 ? 306 HOH A O    1 
HETATM 1427 O  O    . HOH D 3 .  ? -11.85400 -0.94200  0.71800   1.000 29.96671 ? 307 HOH A O    1 
HETATM 1428 O  O    . HOH D 3 .  ? -6.46200  14.47500  -13.32400 1.000 25.55386 ? 308 HOH A O    1 
HETATM 1429 O  O    . HOH D 3 .  ? -2.21800  15.77600  -2.43000  1.000 33.02644 ? 309 HOH A O    1 
HETATM 1430 O  O    . HOH D 3 .  ? -2.39600  16.48600  -9.48000  1.000 29.87651 ? 310 HOH A O    1 
HETATM 1431 O  O    . HOH D 3 .  ? 8.19300   5.08500   -1.89800  1.000 32.13551 ? 311 HOH A O    1 
HETATM 1432 O  O    . HOH D 3 .  ? -18.033   -6.275    -20.368   1.000 31.08975 ? 312 HOH A O    1 
HETATM 1433 O  O    . HOH D 3 .  ? -8.42500  -10.78900 -8.16700  1.000 34.61068 ? 313 HOH A O    1 
HETATM 1434 O  O    . HOH D 3 .  ? -7.22200  10.84300  -1.29500  1.000 39.67824 ? 314 HOH A O    1 
HETATM 1435 O  O    . HOH D 3 .  ? -12.98800 -8.84600  -15.88300 1.000 16.61994 ? 315 HOH A O    1 
HETATM 1436 O  O    . HOH D 3 .  ? -4.29000  3.86400   11.14000  1.000 29.97791 ? 316 HOH A O    1 
HETATM 1437 O  O    . HOH D 3 .  ? -8.47600  4.71100   3.70500   1.000 32.07809 ? 317 HOH A O    1 
HETATM 1438 O  O    . HOH D 3 .  ? 3.84200   0.80900   -19.50700 1.000 38.88781 ? 318 HOH A O    1 
HETATM 1439 O  O    . HOH D 3 .  ? -4.920    5.703     -18.418   1.000 26.10127 ? 319 HOH A O    1 
HETATM 1440 O  O    . HOH D 3 .  ? -10.57900 5.51900   -1.54000  1.000 30.09126 ? 320 HOH A O    1 
HETATM 1441 O  O    . HOH D 3 .  ? 7.41200   0.27300   -17.71400 1.000 32.28402 ? 321 HOH A O    1 
HETATM 1442 O  O    . HOH D 3 .  ? -6.82300  6.51300   -11.46100 1.000 12.16733 ? 322 HOH A O    1 
HETATM 1443 O  O    . HOH D 3 .  ? 12.27700  -3.83700  -0.72700  1.000 22.80515 ? 323 HOH A O    1 
HETATM 1444 O  O    . HOH D 3 .  ? 4.23000   -4.20900  -11.16300 1.000 19.73873 ? 324 HOH A O    1 
HETATM 1445 O  O    . HOH D 3 .  ? -6.60200  11.47900  -6.28900  1.000 29.02111 ? 325 HOH A O    1 
HETATM 1446 O  O    . HOH D 3 .  ? 0.87400   -0.77200  -17.38000 1.000 27.85848 ? 326 HOH A O    1 
HETATM 1447 O  O    . HOH D 3 .  ? 4.42800   -5.22600  5.78000   1.000 15.40809 ? 327 HOH A O    1 
HETATM 1448 O  O    . HOH D 3 .  ? 9.74400   -5.71500  -3.68900  1.000 23.64273 ? 328 HOH A O    1 
HETATM 1449 O  O    . HOH D 3 .  ? -13.36800 8.07600   -10.86200 1.000 28.30413 ? 329 HOH A O    1 
HETATM 1450 O  O    . HOH D 3 .  ? -3.68600  -11.03100 12.42900  1.000 16.34015 ? 330 HOH A O    1 
HETATM 1451 O  O    . HOH D 3 .  ? 9.31500   -5.51500  -6.76100  1.000 26.90611 ? 331 HOH A O    1 
HETATM 1452 O  O    . HOH D 3 .  ? 1.75500   9.70300   -15.99600 1.000 33.69038 ? 332 HOH A O    1 
HETATM 1453 O  O    . HOH D 3 .  ? -7.38000  -13.17700 7.46100   1.000 31.43151 ? 333 HOH A O    1 
HETATM 1454 O  O    . HOH D 3 .  ? -3.623    6.637     -20.459   1.000 32.61293 ? 334 HOH A O    1 
HETATM 1455 O  O    . HOH D 3 .  ? -7.54900  12.77000  -8.98900  1.000 35.13805 ? 335 HOH A O    1 
HETATM 1456 O  O    . HOH D 3 .  ? 4.26800   -4.25500  9.20200   1.000 22.54232 ? 336 HOH A O    1 
HETATM 1457 O  O    . HOH D 3 .  ? 9.90100   6.72400   -10.43400 1.000 22.48316 ? 337 HOH A O    1 
HETATM 1458 O  O    . HOH D 3 .  ? 3.50300   -7.38400  7.29100   1.000 14.53456 ? 338 HOH A O    1 
HETATM 1459 O  O    . HOH D 3 .  ? -10.96300 5.56900   -17.31000 1.000 18.24858 ? 339 HOH A O    1 
HETATM 1460 O  O    . HOH D 3 .  ? 7.01400   3.59900   7.39900   1.000 29.61086 ? 340 HOH A O    1 
HETATM 1461 O  O    . HOH D 3 .  ? 8.40800   1.45000   5.17500   1.000 17.41717 ? 341 HOH A O    1 
HETATM 1462 O  O    . HOH D 3 .  ? 0.39300   7.08600   -20.63300 1.000 36.95346 ? 342 HOH A O    1 
HETATM 1463 O  O    . HOH D 3 .  ? -7.285    7.642     -18.273   1.000 20.54724 ? 343 HOH A O    1 
HETATM 1464 O  O    . HOH D 3 .  ? 6.39800   -8.68300  -0.15400  1.000 18.61288 ? 344 HOH A O    1 
HETATM 1465 O  O    . HOH D 3 .  ? 7.39300   -0.28800  3.27100   1.000 13.39594 ? 345 HOH A O    1 
HETATM 1466 O  O    . HOH D 3 .  ? 9.77100   -9.79900  4.49500   1.000 27.61736 ? 346 HOH A O    1 
HETATM 1467 O  O    . HOH D 3 .  ? -14.960   0.470     -14.695   1.000 29.61882 ? 347 HOH A O    1 
HETATM 1468 O  O    . HOH D 3 .  ? 0.42700   -2.96300  -13.40700 1.000 19.71141 ? 348 HOH A O    1 
HETATM 1469 O  O    . HOH D 3 .  ? -13.16600 2.01500   -13.48100 1.000 23.71640 ? 349 HOH A O    1 
HETATM 1470 O  O    . HOH D 3 .  ? -5.17900  -8.79800  -8.53500  1.000 28.83400 ? 350 HOH A O    1 
HETATM 1471 O  O    . HOH D 3 .  ? 0.79900   -7.43200  -8.61900  1.000 23.57578 ? 351 HOH A O    1 
HETATM 1472 O  O    . HOH D 3 .  ? 4.17300   8.91800   0.30800   1.000 18.46977 ? 352 HOH A O    1 
HETATM 1473 O  O    . HOH D 3 .  ? 9.73000   -11.63600 6.17400   1.000 32.51157 ? 353 HOH A O    1 
HETATM 1474 O  O    . HOH D 3 .  ? 6.42500   3.87300   -17.01800 1.000 36.09684 ? 354 HOH A O    1 
HETATM 1475 O  O    . HOH D 3 .  ? 9.43300   1.93200   -16.30600 1.000 26.80621 ? 355 HOH A O    1 
HETATM 1476 O  O    . HOH D 3 .  ? -16.41600 -3.77400  -9.14400  1.000 30.87371 ? 356 HOH A O    1 
HETATM 1477 O  O    . HOH D 3 .  ? 7.48900   -2.56400  12.60200  1.000 25.51821 ? 357 HOH A O    1 
HETATM 1478 O  O    . HOH D 3 .  ? 6.35200   -5.23500  10.21200  1.000 18.23971 ? 358 HOH A O    1 
HETATM 1479 O  O    . HOH D 3 .  ? -4.39800  12.39800  -7.77800  1.000 28.69500 ? 359 HOH A O    1 
HETATM 1480 O  O    . HOH D 3 .  ? 3.47400   -9.70300  -5.45800  1.000 30.67295 ? 360 HOH A O    1 
HETATM 1481 O  O    . HOH D 3 .  ? -13.47900 5.04700   -13.51200 1.000 21.69072 ? 361 HOH A O    1 
HETATM 1482 O  O    . HOH D 3 .  ? 13.884    2.210     3.135     1.000 34.77930 ? 362 HOH A O    1 
HETATM 1483 O  O    . HOH D 3 .  ? 0.48000   8.16600   9.68700   1.000 23.77128 ? 363 HOH A O    1 
HETATM 1484 O  O    . HOH D 3 .  ? -5.321    -14.860   10.006    1.000 27.98890 ? 364 HOH A O    1 
HETATM 1485 O  O    . HOH D 3 .  ? 2.95400   -2.54200  -13.10000 1.000 18.82852 ? 365 HOH A O    1 
HETATM 1486 O  O    . HOH D 3 .  ? -7.42200  1.51000   7.98900   1.000 25.35050 ? 366 HOH A O    1 
HETATM 1487 O  O    . HOH D 3 .  ? -8.41200  -11.19600 5.83900   1.000 30.69494 ? 367 HOH A O    1 
HETATM 1488 O  O    . HOH D 3 .  ? -17.790   -9.842    -15.825   1.000 31.42856 ? 368 HOH A O    1 
HETATM 1489 O  O    . HOH D 3 .  ? 4.30400   12.96100  -10.10900 1.000 21.74718 ? 369 HOH A O    1 
HETATM 1490 O  O    . HOH D 3 .  ? 4.45500   8.63500   7.62300   1.000 20.10510 ? 370 HOH A O    1 
HETATM 1491 O  O    . HOH D 3 .  ? -7.24100  -11.90600 10.85400  1.000 26.84132 ? 371 HOH A O    1 
HETATM 1492 O  O    . HOH D 3 .  ? 7.47300   10.88200  -0.97100  1.000 31.43490 ? 372 HOH A O    1 
HETATM 1493 O  O    . HOH D 3 .  ? -16.01200 9.63400   -2.31100  1.000 31.78310 ? 373 HOH A O    1 
HETATM 1494 O  O    . HOH D 3 .  ? -1.39600  10.08400  4.24000   1.000 24.75942 ? 374 HOH A O    1 
HETATM 1495 O  O    . HOH D 3 .  ? 9.09400   5.37000   -3.88700  1.000 24.72099 ? 375 HOH A O    1 
HETATM 1496 O  O    . HOH D 3 .  ? -0.47700  -13.40900 -5.04000  1.000 31.38659 ? 376 HOH A O    1 
HETATM 1497 O  O    . HOH D 3 .  ? -17.09500 -4.46200  -11.62200 1.000 24.04395 ? 377 HOH A O    1 
HETATM 1498 O  O    . HOH D 3 .  ? -7.16500  7.57400   4.01800   1.000 31.12481 ? 378 HOH A O    1 
HETATM 1499 O  O    . HOH D 3 .  ? -1.24300  -6.47300  -9.90500  1.000 15.76733 ? 379 HOH A O    1 
HETATM 1500 O  O    . HOH D 3 .  ? -1.59500  -0.71100  -15.67900 1.000 25.81537 ? 380 HOH A O    1 
HETATM 1501 O  O    . HOH D 3 .  ? -9.46900  7.41900   -3.43100  1.000 26.02704 ? 381 HOH A O    1 
HETATM 1502 O  O    . HOH D 3 .  ? 0.03100   13.18600  4.22200   1.000 27.17014 ? 382 HOH A O    1 
HETATM 1503 O  O    . HOH D 3 .  ? 11.20900  -4.29100  5.54300   1.000 28.80714 ? 383 HOH A O    1 
HETATM 1504 O  O    . HOH D 3 .  ? 4.54300   -14.18600 8.50400   1.000 27.20912 ? 384 HOH A O    1 
HETATM 1505 O  O    . HOH D 3 .  ? 11.91400  -3.51000  -3.51700  1.000 30.36417 ? 385 HOH A O    1 
HETATM 1506 O  O    . HOH D 3 .  ? -10.43400 1.87300   0.49700   1.000 9.94667  ? 386 HOH A O    1 
HETATM 1507 O  O    . HOH D 3 .  ? -21.55900 -2.48700  -15.57300 1.000 31.37218 ? 387 HOH A O    1 
HETATM 1508 O  O    . HOH D 3 .  ? -15.00700 6.45300   -7.86100  1.000 25.97120 ? 388 HOH A O    1 
HETATM 1509 O  O    . HOH D 3 .  ? 8.20900   3.01600   -17.59600 1.000 40.57179 ? 389 HOH A O    1 
HETATM 1510 O  O    . HOH D 3 .  ? 8.24600   5.86700   -14.36700 1.000 30.69171 ? 390 HOH A O    1 
HETATM 1511 O  O    . HOH D 3 .  ? -11.40700 -7.57700  4.59800   1.000 39.49453 ? 391 HOH A O    1 
HETATM 1512 O  O    . HOH D 3 .  ? -0.00600  -9.30500  14.68200  1.000 23.70719 ? 392 HOH A O    1 
HETATM 1513 O  O    . HOH D 3 .  ? -13.58400 -5.81600  -10.69300 1.000 14.71182 ? 393 HOH A O    1 
HETATM 1514 O  O    . HOH D 3 .  ? -3.39700  -7.41700  -12.38300 1.000 37.05915 ? 394 HOH A O    1 
HETATM 1515 O  O    . HOH D 3 .  ? 15.995    0.724     7.210     1.000 39.15805 ? 395 HOH A O    1 
HETATM 1516 O  O    . HOH D 3 .  ? -13.711   -6.074    -2.292    1.000 33.47719 ? 396 HOH A O    1 
HETATM 1517 O  O    . HOH D 3 .  ? 10.37700  -11.63300 9.63200   1.000 40.31481 ? 397 HOH A O    1 
HETATM 1518 O  O    . HOH D 3 .  ? 8.04200   5.70400   -0.07200  1.000 28.67976 ? 398 HOH A O    1 
HETATM 1519 O  O    . HOH D 3 .  ? 8.66700   -4.63000  12.74400  1.000 31.88773 ? 399 HOH A O    1 
HETATM 1520 O  O    . HOH D 3 .  ? 2.29600   -14.98200 10.48800  1.000 31.10936 ? 400 HOH A O    1 
HETATM 1521 O  O    . HOH D 3 .  ? -13.355   6.589     -0.830    1.000 29.20316 ? 401 HOH A O    1 
HETATM 1522 O  O    . HOH D 3 .  ? -6.249    18.733    -9.773    1.000 29.81028 ? 402 HOH A O    1 
HETATM 1523 O  O    . HOH D 3 .  ? 9.97100   4.84200   -12.25300 1.000 21.81642 ? 403 HOH A O    1 
HETATM 1524 O  O    . HOH D 3 .  ? 7.894     10.166    -7.456    1.000 37.41761 ? 404 HOH A O    1 
HETATM 1525 O  O    . HOH D 3 .  ? 15.054    3.016     4.859     1.000 35.24531 ? 405 HOH A O    1 
HETATM 1526 O  O    . HOH D 3 .  ? -4.676    8.833     -18.385   1.000 25.65441 ? 406 HOH A O    1 
HETATM 1527 O  O    . HOH D 3 .  ? -8.39000  -8.20700  9.93300   1.000 41.46403 ? 407 HOH A O    1 
HETATM 1528 O  O    . HOH D 3 .  ? -7.441    14.422    2.254     1.000 33.40641 ? 408 HOH A O    1 
HETATM 1529 O  O    . HOH D 3 .  ? 6.328     -3.415    -13.021   1.000 28.99552 ? 409 HOH A O    1 
HETATM 1530 O  O    . HOH D 3 .  ? 5.13000   -9.25300  -8.24600  1.000 32.90981 ? 410 HOH A O    1 
HETATM 1531 O  O    . HOH D 3 .  ? -18.27500 -7.33100  -10.63600 1.000 35.72430 ? 411 HOH A O    1 
HETATM 1532 O  O    . HOH D 3 .  ? 11.222    -3.524    12.784    1.000 29.16062 ? 412 HOH A O    1 
HETATM 1533 O  O    . HOH D 3 .  ? -9.509    -8.603    -12.167   1.000 30.70679 ? 413 HOH A O    1 
HETATM 1534 O  O    . HOH D 3 .  ? 8.58900   -10.39400 0.73700   1.000 27.82358 ? 414 HOH A O    1 
HETATM 1535 O  O    . HOH D 3 .  ? 10.202    8.969     -7.234    1.000 35.53888 ? 415 HOH A O    1 
HETATM 1536 O  O    . HOH D 3 .  ? 5.35200   12.73700  -12.80300 1.000 31.39148 ? 416 HOH A O    1 
HETATM 1537 O  O    . HOH D 3 .  ? -2.57300  -8.91500  -10.42400 1.000 33.11668 ? 417 HOH A O    1 
HETATM 1538 O  O    . HOH D 3 .  ? 11.603    10.552    -9.713    1.000 38.82496 ? 418 HOH A O    1 
HETATM 1539 O  O    . HOH D 3 .  ? -15.860   6.985     -1.724    1.000 23.14199 ? 419 HOH A O    1 
HETATM 1540 O  O    . HOH D 3 .  ? 9.36700   5.31100   2.22400   1.000 27.76245 ? 420 HOH A O    1 
HETATM 1541 O  O    . HOH D 3 .  ? 3.09000   -8.32400  -9.61500  1.000 27.44435 ? 421 HOH A O    1 
HETATM 1542 O  O    . HOH D 3 .  ? 7.02700   8.98100   0.82100   1.000 29.24025 ? 422 HOH A O    1 
HETATM 1543 O  O    . HOH D 3 .  ? -8.41100  14.10900  -6.62000  1.000 37.39151 ? 423 HOH A O    1 
HETATM 1544 O  O    . HOH D 3 .  ? 4.27700   -6.71900  -11.44800 1.000 35.14836 ? 424 HOH A O    1 
HETATM 1545 O  O    . HOH D 3 .  ? 0.75200   -10.69800 -8.21400  1.000 41.22948 ? 425 HOH A O    1 
HETATM 1546 O  O    . HOH D 3 .  ? -1.95100  -6.69000  -13.91400 1.000 30.18285 ? 426 HOH A O    1 
HETATM 1547 O  O    . HOH D 3 .  ? -0.13800  -5.46300  -12.21400 1.000 19.46705 ? 427 HOH A O    1 
HETATM 1548 O  O    . HOH D 3 .  ? -13.52800 12.41000  -8.37900  1.000 42.91629 ? 428 HOH A O    1 
HETATM 1549 O  O    . HOH D 3 .  ? 0.95100   -9.96600  -11.93400 1.000 39.52423 ? 429 HOH A O    1 
# 
