data_9EQ8
# 
_entry.id   9EQ8 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9EQ8         pdb_00009eq8 10.2210/pdb9eq8/pdb 
WWPDB D_1292135403 ?            ?                   
# 
_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       2025-04-16 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9EQ8 
_pdbx_database_status.recvd_initial_deposition_date   2024-03-21 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 3 
_pdbx_contact_author.email              a.hemmings@uea.ac.uk 
_pdbx_contact_author.name_first         Andrew 
_pdbx_contact_author.name_last          Hemmings 
_pdbx_contact_author.name_mi            M 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-3053-3134 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Bugg, Z.'       1 0009-0008-4847-7322 
'Bradley, J.M.'  2 0000-0003-1635-4455 
'Le Brun, N.E.'  3 0000-0001-9780-4061 
'Hemmings, A.M.' 4 0000-0003-3053-3134 
# 
_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                     'The core nucleation site of human mitochondrial ferritin: observation of the nascent mineral' 
_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 'Bradley, J.M.'  1 0000-0003-1635-4455 
primary 'Bugg, Z.'       2 0009-0008-4847-7322 
primary 'Moore, G.R.'    3 ?                   
primary 'Hemmings, A.M.' 4 0000-0003-3053-3134 
primary 'Le-Brun, N.'    5 0000-0001-9780-4061 
# 
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 'Ferritin, mitochondrial' 20213.531 1   1.16.3.1 ? ? ? 
2 non-polymer syn 'FE (III) ION'            55.845    4   ?        ? ? ? 
3 non-polymer syn 'MAGNESIUM ION'           24.305    10  ?        ? ? ? 
4 non-polymer syn 'CHLORIDE ION'            35.453    8   ?        ? ? ? 
5 non-polymer nat 'HYDROGEN PEROXIDE'       34.015    1   ?        ? ? ? 
6 water       nat water                     18.015    184 ?        ? ? ? 
# 
_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       
;MQNFHPDSEAAINRQINLELYASYVYLSMAYYFSRDDVALNNFSRYFLHQSREETEHAEKLMRLQNQRGGRIRLQDIKKP
EQDDWESGLHAMECALLLEKNVNQSLLELHALASDKGDPHLCDFLETYYLNEQVKSIKELGDHVHNLVKMGAPDAGLAEY
LFDTHTLGNENKQN
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MQNFHPDSEAAINRQINLELYASYVYLSMAYYFSRDDVALNNFSRYFLHQSREETEHAEKLMRLQNQRGGRIRLQDIKKP
EQDDWESGLHAMECALLLEKNVNQSLLELHALASDKGDPHLCDFLETYYLNEQVKSIKELGDHVHNLVKMGAPDAGLAEY
LFDTHTLGNENKQN
;
_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 'FE (III) ION'      FE  
3 'MAGNESIUM ION'     MG  
4 'CHLORIDE ION'      CL  
5 'HYDROGEN PEROXIDE' PEO 
6 water               HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   GLN n 
1 3   ASN n 
1 4   PHE n 
1 5   HIS n 
1 6   PRO n 
1 7   ASP n 
1 8   SER n 
1 9   GLU n 
1 10  ALA n 
1 11  ALA n 
1 12  ILE n 
1 13  ASN n 
1 14  ARG n 
1 15  GLN n 
1 16  ILE n 
1 17  ASN n 
1 18  LEU n 
1 19  GLU n 
1 20  LEU n 
1 21  TYR n 
1 22  ALA n 
1 23  SER n 
1 24  TYR n 
1 25  VAL n 
1 26  TYR n 
1 27  LEU n 
1 28  SER n 
1 29  MET n 
1 30  ALA n 
1 31  TYR n 
1 32  TYR n 
1 33  PHE n 
1 34  SER n 
1 35  ARG n 
1 36  ASP n 
1 37  ASP n 
1 38  VAL n 
1 39  ALA n 
1 40  LEU n 
1 41  ASN n 
1 42  ASN n 
1 43  PHE n 
1 44  SER n 
1 45  ARG n 
1 46  TYR n 
1 47  PHE n 
1 48  LEU n 
1 49  HIS n 
1 50  GLN n 
1 51  SER n 
1 52  ARG n 
1 53  GLU n 
1 54  GLU n 
1 55  THR n 
1 56  GLU n 
1 57  HIS n 
1 58  ALA n 
1 59  GLU n 
1 60  LYS n 
1 61  LEU n 
1 62  MET n 
1 63  ARG n 
1 64  LEU n 
1 65  GLN n 
1 66  ASN n 
1 67  GLN n 
1 68  ARG n 
1 69  GLY n 
1 70  GLY n 
1 71  ARG n 
1 72  ILE n 
1 73  ARG n 
1 74  LEU n 
1 75  GLN n 
1 76  ASP n 
1 77  ILE n 
1 78  LYS n 
1 79  LYS n 
1 80  PRO n 
1 81  GLU n 
1 82  GLN n 
1 83  ASP n 
1 84  ASP n 
1 85  TRP n 
1 86  GLU n 
1 87  SER n 
1 88  GLY n 
1 89  LEU n 
1 90  HIS n 
1 91  ALA n 
1 92  MET n 
1 93  GLU n 
1 94  CYS n 
1 95  ALA n 
1 96  LEU n 
1 97  LEU n 
1 98  LEU n 
1 99  GLU n 
1 100 LYS n 
1 101 ASN n 
1 102 VAL n 
1 103 ASN n 
1 104 GLN n 
1 105 SER n 
1 106 LEU n 
1 107 LEU n 
1 108 GLU n 
1 109 LEU n 
1 110 HIS n 
1 111 ALA n 
1 112 LEU n 
1 113 ALA n 
1 114 SER n 
1 115 ASP n 
1 116 LYS n 
1 117 GLY n 
1 118 ASP n 
1 119 PRO n 
1 120 HIS n 
1 121 LEU n 
1 122 CYS n 
1 123 ASP n 
1 124 PHE n 
1 125 LEU n 
1 126 GLU n 
1 127 THR n 
1 128 TYR n 
1 129 TYR n 
1 130 LEU n 
1 131 ASN n 
1 132 GLU n 
1 133 GLN n 
1 134 VAL n 
1 135 LYS n 
1 136 SER n 
1 137 ILE n 
1 138 LYS n 
1 139 GLU n 
1 140 LEU n 
1 141 GLY n 
1 142 ASP n 
1 143 HIS n 
1 144 VAL n 
1 145 HIS n 
1 146 ASN n 
1 147 LEU n 
1 148 VAL n 
1 149 LYS n 
1 150 MET n 
1 151 GLY n 
1 152 ALA n 
1 153 PRO n 
1 154 ASP n 
1 155 ALA n 
1 156 GLY n 
1 157 LEU n 
1 158 ALA n 
1 159 GLU n 
1 160 TYR n 
1 161 LEU n 
1 162 PHE n 
1 163 ASP n 
1 164 THR n 
1 165 HIS n 
1 166 THR n 
1 167 LEU n 
1 168 GLY n 
1 169 ASN n 
1 170 GLU n 
1 171 ASN n 
1 172 LYS n 
1 173 GLN n 
1 174 ASN 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                   174 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 FTMT 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_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 
CL  non-polymer         . 'CHLORIDE ION'      ? 'Cl -1'          35.453  
CYS 'L-peptide linking' y CYSTEINE            ? 'C3 H7 N O2 S'   121.158 
FE  non-polymer         . 'FE (III) ION'      ? 'Fe 3'           55.845  
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 
MG  non-polymer         . 'MAGNESIUM ION'     ? 'Mg 2'           24.305  
PEO non-polymer         . 'HYDROGEN PEROXIDE' ? 'H2 O2'          34.015  
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   MET 1   9   ?   ?   ?   A . n 
A 1 2   GLN 2   10  10  GLN GLN A . n 
A 1 3   ASN 3   11  11  ASN ASN A . n 
A 1 4   PHE 4   12  12  PHE PHE A . n 
A 1 5   HIS 5   13  13  HIS HIS A . n 
A 1 6   PRO 6   14  14  PRO PRO A . n 
A 1 7   ASP 7   15  15  ASP ASP A . n 
A 1 8   SER 8   16  16  SER SER A . n 
A 1 9   GLU 9   17  17  GLU GLU A . n 
A 1 10  ALA 10  18  18  ALA ALA A . n 
A 1 11  ALA 11  19  19  ALA ALA A . n 
A 1 12  ILE 12  20  20  ILE ILE A . n 
A 1 13  ASN 13  21  21  ASN ASN A . n 
A 1 14  ARG 14  22  22  ARG ARG A . n 
A 1 15  GLN 15  23  23  GLN GLN A . n 
A 1 16  ILE 16  24  24  ILE ILE A . n 
A 1 17  ASN 17  25  25  ASN ASN A . n 
A 1 18  LEU 18  26  26  LEU LEU A . n 
A 1 19  GLU 19  27  27  GLU GLU A . n 
A 1 20  LEU 20  28  28  LEU LEU A . n 
A 1 21  TYR 21  29  29  TYR TYR A . n 
A 1 22  ALA 22  30  30  ALA ALA A . n 
A 1 23  SER 23  31  31  SER SER A . n 
A 1 24  TYR 24  32  32  TYR TYR A . n 
A 1 25  VAL 25  33  33  VAL VAL A . n 
A 1 26  TYR 26  34  34  TYR TYR A . n 
A 1 27  LEU 27  35  35  LEU LEU A . n 
A 1 28  SER 28  36  36  SER SER A . n 
A 1 29  MET 29  37  37  MET MET A . n 
A 1 30  ALA 30  38  38  ALA ALA A . n 
A 1 31  TYR 31  39  39  TYR TYR A . n 
A 1 32  TYR 32  40  40  TYR TYR A . n 
A 1 33  PHE 33  41  41  PHE PHE A . n 
A 1 34  SER 34  42  42  SER SER A . n 
A 1 35  ARG 35  43  43  ARG ARG A . n 
A 1 36  ASP 36  44  44  ASP ASP A . n 
A 1 37  ASP 37  45  45  ASP ASP A . n 
A 1 38  VAL 38  46  46  VAL VAL A . n 
A 1 39  ALA 39  47  47  ALA ALA A . n 
A 1 40  LEU 40  48  48  LEU LEU A . n 
A 1 41  ASN 41  49  49  ASN ASN A . n 
A 1 42  ASN 42  50  50  ASN ASN A . n 
A 1 43  PHE 43  51  51  PHE PHE A . n 
A 1 44  SER 44  52  52  SER SER A . n 
A 1 45  ARG 45  53  53  ARG ARG A . n 
A 1 46  TYR 46  54  54  TYR TYR A . n 
A 1 47  PHE 47  55  55  PHE PHE A . n 
A 1 48  LEU 48  56  56  LEU LEU A . n 
A 1 49  HIS 49  57  57  HIS HIS A . n 
A 1 50  GLN 50  58  58  GLN GLN A . n 
A 1 51  SER 51  59  59  SER SER A . n 
A 1 52  ARG 52  60  60  ARG ARG A . n 
A 1 53  GLU 53  61  61  GLU GLU A . n 
A 1 54  GLU 54  62  62  GLU GLU A . n 
A 1 55  THR 55  63  63  THR THR A . n 
A 1 56  GLU 56  64  64  GLU GLU A . n 
A 1 57  HIS 57  65  65  HIS HIS A . n 
A 1 58  ALA 58  66  66  ALA ALA A . n 
A 1 59  GLU 59  67  67  GLU GLU A . n 
A 1 60  LYS 60  68  68  LYS LYS A . n 
A 1 61  LEU 61  69  69  LEU LEU A . n 
A 1 62  MET 62  70  70  MET MET A . n 
A 1 63  ARG 63  71  71  ARG ARG A . n 
A 1 64  LEU 64  72  72  LEU LEU A . n 
A 1 65  GLN 65  73  73  GLN GLN A . n 
A 1 66  ASN 66  74  74  ASN ASN A . n 
A 1 67  GLN 67  75  75  GLN GLN A . n 
A 1 68  ARG 68  76  76  ARG ARG A . n 
A 1 69  GLY 69  77  77  GLY GLY A . n 
A 1 70  GLY 70  78  78  GLY GLY A . n 
A 1 71  ARG 71  79  79  ARG ARG A . n 
A 1 72  ILE 72  80  80  ILE ILE A . n 
A 1 73  ARG 73  81  81  ARG ARG A . n 
A 1 74  LEU 74  82  82  LEU LEU A . n 
A 1 75  GLN 75  83  83  GLN GLN A . n 
A 1 76  ASP 76  84  84  ASP ASP A . n 
A 1 77  ILE 77  85  85  ILE ILE A . n 
A 1 78  LYS 78  86  86  LYS LYS A . n 
A 1 79  LYS 79  87  87  LYS LYS A . n 
A 1 80  PRO 80  88  88  PRO PRO A . n 
A 1 81  GLU 81  89  89  GLU GLU A . n 
A 1 82  GLN 82  90  90  GLN GLN A . n 
A 1 83  ASP 83  91  91  ASP ASP A . n 
A 1 84  ASP 84  92  92  ASP ASP A . n 
A 1 85  TRP 85  93  93  TRP TRP A . n 
A 1 86  GLU 86  94  94  GLU GLU A . n 
A 1 87  SER 87  95  95  SER SER A . n 
A 1 88  GLY 88  96  96  GLY GLY A . n 
A 1 89  LEU 89  97  97  LEU LEU A . n 
A 1 90  HIS 90  98  98  HIS HIS A . n 
A 1 91  ALA 91  99  99  ALA ALA A . n 
A 1 92  MET 92  100 100 MET MET A . n 
A 1 93  GLU 93  101 101 GLU GLU A . n 
A 1 94  CYS 94  102 102 CYS CYS A . n 
A 1 95  ALA 95  103 103 ALA ALA A . n 
A 1 96  LEU 96  104 104 LEU LEU A . n 
A 1 97  LEU 97  105 105 LEU LEU A . n 
A 1 98  LEU 98  106 106 LEU LEU A . n 
A 1 99  GLU 99  107 107 GLU GLU A . n 
A 1 100 LYS 100 108 108 LYS LYS A . n 
A 1 101 ASN 101 109 109 ASN ASN A . n 
A 1 102 VAL 102 110 110 VAL VAL A . n 
A 1 103 ASN 103 111 111 ASN ASN A . n 
A 1 104 GLN 104 112 112 GLN GLN A . n 
A 1 105 SER 105 113 113 SER SER A . n 
A 1 106 LEU 106 114 114 LEU LEU A . n 
A 1 107 LEU 107 115 115 LEU LEU A . n 
A 1 108 GLU 108 116 116 GLU GLU A . n 
A 1 109 LEU 109 117 117 LEU LEU A . n 
A 1 110 HIS 110 118 118 HIS HIS A . n 
A 1 111 ALA 111 119 119 ALA ALA A . n 
A 1 112 LEU 112 120 120 LEU LEU A . n 
A 1 113 ALA 113 121 121 ALA ALA A . n 
A 1 114 SER 114 122 122 SER SER A . n 
A 1 115 ASP 115 123 123 ASP ASP A . n 
A 1 116 LYS 116 124 124 LYS LYS A . n 
A 1 117 GLY 117 125 125 GLY GLY A . n 
A 1 118 ASP 118 126 126 ASP ASP A . n 
A 1 119 PRO 119 127 127 PRO PRO A . n 
A 1 120 HIS 120 128 128 HIS HIS A . n 
A 1 121 LEU 121 129 129 LEU LEU A . n 
A 1 122 CYS 122 130 130 CYS CYS A . n 
A 1 123 ASP 123 131 131 ASP ASP A . n 
A 1 124 PHE 124 132 132 PHE PHE A . n 
A 1 125 LEU 125 133 133 LEU LEU A . n 
A 1 126 GLU 126 134 134 GLU GLU A . n 
A 1 127 THR 127 135 135 THR THR A . n 
A 1 128 TYR 128 136 136 TYR TYR A . n 
A 1 129 TYR 129 137 137 TYR TYR A . n 
A 1 130 LEU 130 138 138 LEU LEU A . n 
A 1 131 ASN 131 139 139 ASN ASN A . n 
A 1 132 GLU 132 140 140 GLU GLU A . n 
A 1 133 GLN 133 141 141 GLN GLN A . n 
A 1 134 VAL 134 142 142 VAL VAL A . n 
A 1 135 LYS 135 143 143 LYS LYS A . n 
A 1 136 SER 136 144 144 SER SER A . n 
A 1 137 ILE 137 145 145 ILE ILE A . n 
A 1 138 LYS 138 146 146 LYS LYS A . n 
A 1 139 GLU 139 147 147 GLU GLU A . n 
A 1 140 LEU 140 148 148 LEU LEU A . n 
A 1 141 GLY 141 149 149 GLY GLY A . n 
A 1 142 ASP 142 150 150 ASP ASP A . n 
A 1 143 HIS 143 151 151 HIS HIS A . n 
A 1 144 VAL 144 152 152 VAL VAL A . n 
A 1 145 HIS 145 153 153 HIS HIS A . n 
A 1 146 ASN 146 154 154 ASN ASN A . n 
A 1 147 LEU 147 155 155 LEU LEU A . n 
A 1 148 VAL 148 156 156 VAL VAL A . n 
A 1 149 LYS 149 157 157 LYS LYS A . n 
A 1 150 MET 150 158 158 MET MET A . n 
A 1 151 GLY 151 159 159 GLY GLY A . n 
A 1 152 ALA 152 160 160 ALA ALA A . n 
A 1 153 PRO 153 161 161 PRO PRO A . n 
A 1 154 ASP 154 162 162 ASP ASP A . n 
A 1 155 ALA 155 163 163 ALA ALA A . n 
A 1 156 GLY 156 164 164 GLY GLY A . n 
A 1 157 LEU 157 165 165 LEU LEU A . n 
A 1 158 ALA 158 166 166 ALA ALA A . n 
A 1 159 GLU 159 167 167 GLU GLU A . n 
A 1 160 TYR 160 168 168 TYR TYR A . n 
A 1 161 LEU 161 169 169 LEU LEU A . n 
A 1 162 PHE 162 170 170 PHE PHE A . n 
A 1 163 ASP 163 171 171 ASP ASP A . n 
A 1 164 THR 164 172 172 THR THR A . n 
A 1 165 HIS 165 173 173 HIS HIS A . n 
A 1 166 THR 166 174 174 THR THR A . n 
A 1 167 LEU 167 175 175 LEU LEU A . n 
A 1 168 GLY 168 176 176 GLY GLY A . n 
A 1 169 ASN 169 177 177 ASN ASN A . n 
A 1 170 GLU 170 178 ?   ?   ?   A . n 
A 1 171 ASN 171 179 ?   ?   ?   A . n 
A 1 172 LYS 172 180 ?   ?   ?   A . n 
A 1 173 GLN 173 181 ?   ?   ?   A . n 
A 1 174 ASN 174 182 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        FE 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   FE 
_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 FE  1   201 1   FE  FE  A . 
C 2 FE  1   202 2   FE  FE  A . 
D 2 FE  1   203 401 FE  FE  A . 
E 2 FE  1   204 4   FE  FE  A . 
F 3 MG  1   205 1   MG  MG  A . 
G 3 MG  1   206 2   MG  MG  A . 
H 3 MG  1   207 3   MG  MG  A . 
I 3 MG  1   208 4   MG  MG  A . 
J 3 MG  1   209 5   MG  MG  A . 
K 3 MG  1   210 6   MG  MG  A . 
L 3 MG  1   211 7   MG  MG  A . 
M 3 MG  1   212 8   MG  MG  A . 
N 3 MG  1   213 9   MG  MG  A . 
O 3 MG  1   214 10  MG  MG  A . 
P 4 CL  1   215 1   CL  CL  A . 
Q 4 CL  1   216 2   CL  CL  A . 
R 4 CL  1   217 7   CL  CL  A . 
S 4 CL  1   218 8   CL  CL  A . 
T 4 CL  1   219 12  CL  CL  A . 
U 4 CL  1   220 13  CL  CL  A . 
V 4 CL  1   221 15  CL  CL  A . 
W 4 CL  1   222 16  CL  CL  A . 
X 5 PEO 1   223 1   PEO PEO A . 
Y 6 HOH 1   301 171 HOH HOH A . 
Y 6 HOH 2   302 175 HOH HOH A . 
Y 6 HOH 3   303 111 HOH HOH A . 
Y 6 HOH 4   304 117 HOH HOH A . 
Y 6 HOH 5   305 116 HOH HOH A . 
Y 6 HOH 6   306 176 HOH HOH A . 
Y 6 HOH 7   307 1   HOH HOH A . 
Y 6 HOH 8   308 120 HOH HOH A . 
Y 6 HOH 9   309 112 HOH HOH A . 
Y 6 HOH 10  310 177 HOH HOH A . 
Y 6 HOH 11  311 105 HOH HOH A . 
Y 6 HOH 12  312 72  HOH HOH A . 
Y 6 HOH 13  313 184 HOH HOH A . 
Y 6 HOH 14  314 83  HOH HOH A . 
Y 6 HOH 15  315 119 HOH HOH A . 
Y 6 HOH 16  316 69  HOH HOH A . 
Y 6 HOH 17  317 147 HOH HOH A . 
Y 6 HOH 18  318 58  HOH HOH A . 
Y 6 HOH 19  319 129 HOH HOH A . 
Y 6 HOH 20  320 24  HOH HOH A . 
Y 6 HOH 21  321 81  HOH HOH A . 
Y 6 HOH 22  322 89  HOH HOH A . 
Y 6 HOH 23  323 55  HOH HOH A . 
Y 6 HOH 24  324 179 HOH HOH A . 
Y 6 HOH 25  325 21  HOH HOH A . 
Y 6 HOH 26  326 133 HOH HOH A . 
Y 6 HOH 27  327 121 HOH HOH A . 
Y 6 HOH 28  328 39  HOH HOH A . 
Y 6 HOH 29  329 2   HOH HOH A . 
Y 6 HOH 30  330 25  HOH HOH A . 
Y 6 HOH 31  331 71  HOH HOH A . 
Y 6 HOH 32  332 53  HOH HOH A . 
Y 6 HOH 33  333 85  HOH HOH A . 
Y 6 HOH 34  334 13  HOH HOH A . 
Y 6 HOH 35  335 64  HOH HOH A . 
Y 6 HOH 36  336 87  HOH HOH A . 
Y 6 HOH 37  337 3   HOH HOH A . 
Y 6 HOH 38  338 74  HOH HOH A . 
Y 6 HOH 39  339 18  HOH HOH A . 
Y 6 HOH 40  340 137 HOH HOH A . 
Y 6 HOH 41  341 7   HOH HOH A . 
Y 6 HOH 42  342 84  HOH HOH A . 
Y 6 HOH 43  343 27  HOH HOH A . 
Y 6 HOH 44  344 154 HOH HOH A . 
Y 6 HOH 45  345 70  HOH HOH A . 
Y 6 HOH 46  346 35  HOH HOH A . 
Y 6 HOH 47  347 4   HOH HOH A . 
Y 6 HOH 48  348 167 HOH HOH A . 
Y 6 HOH 49  349 76  HOH HOH A . 
Y 6 HOH 50  350 11  HOH HOH A . 
Y 6 HOH 51  351 132 HOH HOH A . 
Y 6 HOH 52  352 75  HOH HOH A . 
Y 6 HOH 53  353 77  HOH HOH A . 
Y 6 HOH 54  354 185 HOH HOH A . 
Y 6 HOH 55  355 6   HOH HOH A . 
Y 6 HOH 56  356 26  HOH HOH A . 
Y 6 HOH 57  357 155 HOH HOH A . 
Y 6 HOH 58  358 48  HOH HOH A . 
Y 6 HOH 59  359 161 HOH HOH A . 
Y 6 HOH 60  360 66  HOH HOH A . 
Y 6 HOH 61  361 101 HOH HOH A . 
Y 6 HOH 62  362 173 HOH HOH A . 
Y 6 HOH 63  363 142 HOH HOH A . 
Y 6 HOH 64  364 22  HOH HOH A . 
Y 6 HOH 65  365 146 HOH HOH A . 
Y 6 HOH 66  366 57  HOH HOH A . 
Y 6 HOH 67  367 182 HOH HOH A . 
Y 6 HOH 68  368 38  HOH HOH A . 
Y 6 HOH 69  369 17  HOH HOH A . 
Y 6 HOH 70  370 174 HOH HOH A . 
Y 6 HOH 71  371 51  HOH HOH A . 
Y 6 HOH 72  372 30  HOH HOH A . 
Y 6 HOH 73  373 104 HOH HOH A . 
Y 6 HOH 74  374 86  HOH HOH A . 
Y 6 HOH 75  375 125 HOH HOH A . 
Y 6 HOH 76  376 36  HOH HOH A . 
Y 6 HOH 77  377 113 HOH HOH A . 
Y 6 HOH 78  378 23  HOH HOH A . 
Y 6 HOH 79  379 109 HOH HOH A . 
Y 6 HOH 80  380 5   HOH HOH A . 
Y 6 HOH 81  381 180 HOH HOH A . 
Y 6 HOH 82  382 12  HOH HOH A . 
Y 6 HOH 83  383 140 HOH HOH A . 
Y 6 HOH 84  384 28  HOH HOH A . 
Y 6 HOH 85  385 42  HOH HOH A . 
Y 6 HOH 86  386 168 HOH HOH A . 
Y 6 HOH 87  387 19  HOH HOH A . 
Y 6 HOH 88  388 92  HOH HOH A . 
Y 6 HOH 89  389 94  HOH HOH A . 
Y 6 HOH 90  390 8   HOH HOH A . 
Y 6 HOH 91  391 43  HOH HOH A . 
Y 6 HOH 92  392 40  HOH HOH A . 
Y 6 HOH 93  393 65  HOH HOH A . 
Y 6 HOH 94  394 37  HOH HOH A . 
Y 6 HOH 95  395 123 HOH HOH A . 
Y 6 HOH 96  396 34  HOH HOH A . 
Y 6 HOH 97  397 108 HOH HOH A . 
Y 6 HOH 98  398 31  HOH HOH A . 
Y 6 HOH 99  399 16  HOH HOH A . 
Y 6 HOH 100 400 178 HOH HOH A . 
Y 6 HOH 101 401 14  HOH HOH A . 
Y 6 HOH 102 402 148 HOH HOH A . 
Y 6 HOH 103 403 124 HOH HOH A . 
Y 6 HOH 104 404 45  HOH HOH A . 
Y 6 HOH 105 405 102 HOH HOH A . 
Y 6 HOH 106 406 131 HOH HOH A . 
Y 6 HOH 107 407 15  HOH HOH A . 
Y 6 HOH 108 408 156 HOH HOH A . 
Y 6 HOH 109 409 29  HOH HOH A . 
Y 6 HOH 110 410 160 HOH HOH A . 
Y 6 HOH 111 411 73  HOH HOH A . 
Y 6 HOH 112 412 80  HOH HOH A . 
Y 6 HOH 113 413 20  HOH HOH A . 
Y 6 HOH 114 414 159 HOH HOH A . 
Y 6 HOH 115 415 122 HOH HOH A . 
Y 6 HOH 116 416 103 HOH HOH A . 
Y 6 HOH 117 417 153 HOH HOH A . 
Y 6 HOH 118 418 50  HOH HOH A . 
Y 6 HOH 119 419 93  HOH HOH A . 
Y 6 HOH 120 420 134 HOH HOH A . 
Y 6 HOH 121 421 44  HOH HOH A . 
Y 6 HOH 122 422 90  HOH HOH A . 
Y 6 HOH 123 423 91  HOH HOH A . 
Y 6 HOH 124 424 99  HOH HOH A . 
Y 6 HOH 125 425 41  HOH HOH A . 
Y 6 HOH 126 426 114 HOH HOH A . 
Y 6 HOH 127 427 135 HOH HOH A . 
Y 6 HOH 128 428 157 HOH HOH A . 
Y 6 HOH 129 429 149 HOH HOH A . 
Y 6 HOH 130 430 150 HOH HOH A . 
Y 6 HOH 131 431 33  HOH HOH A . 
Y 6 HOH 132 432 63  HOH HOH A . 
Y 6 HOH 133 433 169 HOH HOH A . 
Y 6 HOH 134 434 186 HOH HOH A . 
Y 6 HOH 135 435 78  HOH HOH A . 
Y 6 HOH 136 436 62  HOH HOH A . 
Y 6 HOH 137 437 139 HOH HOH A . 
Y 6 HOH 138 438 183 HOH HOH A . 
Y 6 HOH 139 439 60  HOH HOH A . 
Y 6 HOH 140 440 106 HOH HOH A . 
Y 6 HOH 141 441 68  HOH HOH A . 
Y 6 HOH 142 442 172 HOH HOH A . 
Y 6 HOH 143 443 181 HOH HOH A . 
Y 6 HOH 144 444 165 HOH HOH A . 
Y 6 HOH 145 445 46  HOH HOH A . 
Y 6 HOH 146 446 67  HOH HOH A . 
Y 6 HOH 147 447 143 HOH HOH A . 
Y 6 HOH 148 448 47  HOH HOH A . 
Y 6 HOH 149 449 97  HOH HOH A . 
Y 6 HOH 150 450 141 HOH HOH A . 
Y 6 HOH 151 451 115 HOH HOH A . 
Y 6 HOH 152 452 166 HOH HOH A . 
Y 6 HOH 153 453 59  HOH HOH A . 
Y 6 HOH 154 454 126 HOH HOH A . 
Y 6 HOH 155 455 10  HOH HOH A . 
Y 6 HOH 156 456 61  HOH HOH A . 
Y 6 HOH 157 457 32  HOH HOH A . 
Y 6 HOH 158 458 52  HOH HOH A . 
Y 6 HOH 159 459 107 HOH HOH A . 
Y 6 HOH 160 460 110 HOH HOH A . 
Y 6 HOH 161 461 88  HOH HOH A . 
Y 6 HOH 162 462 98  HOH HOH A . 
Y 6 HOH 163 463 163 HOH HOH A . 
Y 6 HOH 164 464 136 HOH HOH A . 
Y 6 HOH 165 465 162 HOH HOH A . 
Y 6 HOH 166 466 144 HOH HOH A . 
Y 6 HOH 167 467 127 HOH HOH A . 
Y 6 HOH 168 468 138 HOH HOH A . 
Y 6 HOH 169 469 187 HOH HOH A . 
Y 6 HOH 170 470 95  HOH HOH A . 
Y 6 HOH 171 471 130 HOH HOH A . 
Y 6 HOH 172 472 164 HOH HOH A . 
Y 6 HOH 173 473 82  HOH HOH A . 
Y 6 HOH 174 474 118 HOH HOH A . 
Y 6 HOH 175 475 145 HOH HOH A . 
Y 6 HOH 176 476 9   HOH HOH A . 
Y 6 HOH 177 477 152 HOH HOH A . 
Y 6 HOH 178 478 79  HOH HOH A . 
Y 6 HOH 179 479 96  HOH HOH A . 
Y 6 HOH 180 480 49  HOH HOH A . 
Y 6 HOH 181 481 100 HOH HOH A . 
Y 6 HOH 182 482 56  HOH HOH A . 
Y 6 HOH 183 483 151 HOH HOH A . 
Y 6 HOH 184 484 158 HOH HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 A ARG 81 ? CZ  ? A ARG 73 CZ  
2 1 Y 1 A ARG 81 ? NH1 ? A ARG 73 NH1 
3 1 Y 1 A ARG 81 ? NH2 ? A ARG 73 NH2 
# 
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 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? xia2    ? ? ? .           2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .           3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? .           4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9EQ8 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     182.770 
_cell.length_a_esd                 ? 
_cell.length_b                     182.770 
_cell.length_b_esd                 ? 
_cell.length_c                     182.770 
_cell.length_c_esd                 ? 
_cell.volume                       6105408.620 
_cell.volume_esd                   ? 
_cell.Z_PDB                        96 
_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                         9EQ8 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                209 
_symmetry.space_group_name_Hall            'F 4 2 3' 
_symmetry.space_group_name_H-M             'F 4 3 2' 
_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                   9EQ8 
_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             3.15 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          60.91 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              9.0 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
;0.1 M bicine
2.0 M magnesium chloride
100 mM sodium chloride
60 mM ferrous chloride
3 mM sodium azide
pH 9.0
;
_exptl_crystal_grow.pdbx_pH_range   8.9-9.0 
_exptl_crystal_grow.temp            289 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER2 XE 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2020-06-07 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.975 
_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                        'DIAMOND BEAMLINE I03' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.975 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   I03 
_diffrn_source.pdbx_synchrotron_site       Diamond 
# 
_reflns.B_iso_Wilson_estimate                          19.33 
_reflns.entry_id                                       9EQ8 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.48 
_reflns.d_resolution_low                               40.87 
_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                                     43961 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.91 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                16.83 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          1.17 
_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                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   1 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.48 
_reflns_shell.d_res_low                                     1.533 
_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                             4285 
_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                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.391 
_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               ? 
# 
_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                               25.03 
_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                                 9EQ8 
_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                            1.48 
_refine.ls_d_res_low                             40.87 
_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                     43955 
_refine.ls_number_reflns_R_free                  2107 
_refine.ls_number_reflns_R_work                  41848 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.93 
_refine.ls_percent_reflns_R_free                 4.79 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1661 
_refine.ls_R_factor_R_free                       0.1820 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1652 
_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.correlation_coeff_I_to_Fcsqd_work        ? 
_refine.correlation_coeff_I_to_Fcsqd_free        ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       '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                 18.9977 
_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                            0.1421 
_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                       1.48 
_refine_hist.d_res_low                        40.87 
_refine_hist.number_atoms_solvent             184 
_refine_hist.number_atoms_total               1574 
_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        1366 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         24 
_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' ? 0.0082 ? 1412 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.1068 ? 1909 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0867 ? 201  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0075 ? 254  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 4.9280 ? 187  ? 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.correlation_coeff_Fo_to_Fc 
_refine_ls_shell.correlation_coeff_Fo_to_Fc_free 
_refine_ls_shell.correlation_coeff_I_to_Fcsqd_work 
_refine_ls_shell.correlation_coeff_I_to_Fcsqd_free 
_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' 1.48 1.51  . . 147 2711 99.20  . . . . 0.2891 . . . . . . . . . . . . . . . 0.3332 
'X-RAY DIFFRACTION' 1.51 1.55  . . 115 2712 99.93  . . . . 0.2686 . . . . . . . . . . . . . . . 0.2724 
'X-RAY DIFFRACTION' 1.55 1.59  . . 139 2734 99.97  . . . . 0.2286 . . . . . . . . . . . . . . . 0.2835 
'X-RAY DIFFRACTION' 1.59 1.64  . . 145 2759 100.00 . . . . 0.2045 . . . . . . . . . . . . . . . 0.2608 
'X-RAY DIFFRACTION' 1.64 1.69  . . 133 2741 100.00 . . . . 0.1730 . . . . . . . . . . . . . . . 0.2127 
'X-RAY DIFFRACTION' 1.69 1.75  . . 143 2761 100.00 . . . . 0.1540 . . . . . . . . . . . . . . . 0.1971 
'X-RAY DIFFRACTION' 1.76 1.82  . . 112 2765 100.00 . . . . 0.1423 . . . . . . . . . . . . . . . 0.1748 
'X-RAY DIFFRACTION' 1.83 1.91  . . 151 2764 100.00 . . . . 0.1407 . . . . . . . . . . . . . . . 0.1767 
'X-RAY DIFFRACTION' 1.91 2.01  . . 159 2747 100.00 . . . . 0.1399 . . . . . . . . . . . . . . . 0.1809 
'X-RAY DIFFRACTION' 2.01 2.13  . . 134 2792 100.00 . . . . 0.1319 . . . . . . . . . . . . . . . 0.1547 
'X-RAY DIFFRACTION' 2.14 2.30  . . 136 2784 99.97  . . . . 0.1370 . . . . . . . . . . . . . . . 0.1561 
'X-RAY DIFFRACTION' 2.30 2.53  . . 140 2817 99.97  . . . . 0.1456 . . . . . . . . . . . . . . . 0.1666 
'X-RAY DIFFRACTION' 2.53 2.90  . . 154 2810 99.97  . . . . 0.1602 . . . . . . . . . . . . . . . 0.1864 
'X-RAY DIFFRACTION' 2.90 3.65  . . 137 2880 100.00 . . . . 0.1553 . . . . . . . . . . . . . . . 0.1482 
'X-RAY DIFFRACTION' 3.65 40.87 . . 162 3071 99.91  . . . . 0.1839 . . . . . . . . . . . . . . . 0.1877 
# 
_struct.entry_id                     9EQ8 
_struct.title                        'Iron loaded mitochondrial ferritin exposed to oxygen for 2 minutes' 
_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        9EQ8 
_struct_keywords.text            'Ferritin, mitochondrial, iron, 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 2 ? 
E N N 2 ? 
F N N 3 ? 
G N N 3 ? 
H N N 3 ? 
I N N 3 ? 
J N N 3 ? 
K N N 3 ? 
L N N 3 ? 
M N N 3 ? 
N N N 3 ? 
O N N 3 ? 
P N N 4 ? 
Q N N 4 ? 
R N N 4 ? 
S N N 4 ? 
T N N 4 ? 
U N N 4 ? 
V N N 4 ? 
W N N 4 ? 
X N N 5 ? 
Y N N 6 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    FTMT_HUMAN 
_struct_ref.pdbx_db_accession          Q8N4E7 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;QNFHPDSEAAINRQINLELYASYVYLSMAYYFSRDDVALNNFSRYFLHQSREETEHAEKLMRLQNQRGGRIRLQDIKKPE
QDDWESGLHAMECALLLEKNVNQSLLELHALASDKGDPHLCDFLETYYLNEQVKSIKELGDHVHNLVKMGAPDAGLAEYL
FDTHTLGNENKQN
;
_struct_ref.pdbx_align_begin           70 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9EQ8 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 2 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 174 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q8N4E7 
_struct_ref_seq.db_align_beg                  70 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  242 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       10 
_struct_ref_seq.pdbx_auth_seq_align_end       182 
# 
_struct_ref_seq_dif.align_id                     1 
_struct_ref_seq_dif.pdbx_pdb_id_code             9EQ8 
_struct_ref_seq_dif.mon_id                       MET 
_struct_ref_seq_dif.pdbx_pdb_strand_id           A 
_struct_ref_seq_dif.seq_num                      1 
_struct_ref_seq_dif.pdbx_pdb_ins_code            ? 
_struct_ref_seq_dif.pdbx_seq_db_name             UNP 
_struct_ref_seq_dif.pdbx_seq_db_accession_code   Q8N4E7 
_struct_ref_seq_dif.db_mon_id                    ? 
_struct_ref_seq_dif.pdbx_seq_db_seq_num          ? 
_struct_ref_seq_dif.details                      'initiating methionine' 
_struct_ref_seq_dif.pdbx_auth_seq_num            9 
_struct_ref_seq_dif.pdbx_ordinal                 1 
# 
_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   24-meric 
_pdbx_struct_assembly.oligomeric_count     24 
# 
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)' 93860  ? 
1 MORE         -1200  ? 
1 'SSA (A^2)'  140750 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
loop_
_pdbx_struct_oper_list.id 
_pdbx_struct_oper_list.type 
_pdbx_struct_oper_list.name 
_pdbx_struct_oper_list.symmetry_operation 
_pdbx_struct_oper_list.matrix[1][1] 
_pdbx_struct_oper_list.matrix[1][2] 
_pdbx_struct_oper_list.matrix[1][3] 
_pdbx_struct_oper_list.vector[1] 
_pdbx_struct_oper_list.matrix[2][1] 
_pdbx_struct_oper_list.matrix[2][2] 
_pdbx_struct_oper_list.matrix[2][3] 
_pdbx_struct_oper_list.vector[2] 
_pdbx_struct_oper_list.matrix[3][1] 
_pdbx_struct_oper_list.matrix[3][2] 
_pdbx_struct_oper_list.matrix[3][3] 
_pdbx_struct_oper_list.vector[3] 
1  'identity operation'         1_555  x,y,z            1.0000000000  0.0000000000  0.0000000000  0.0000000000    0.0000000000  
1.0000000000  0.0000000000  0.0000000000   0.0000000000  0.0000000000  1.0000000000  0.0000000000   
2  'crystal symmetry operation' 2_455  -x-1,-y,z        -1.0000000000 0.0000000000  0.0000000000  -182.7700000000 0.0000000000  
-1.0000000000 0.0000000000  0.0000000000   0.0000000000  0.0000000000  1.0000000000  0.0000000000   
3  'crystal symmetry operation' 3_455  -x-1,y,-z        -1.0000000000 0.0000000000  0.0000000000  -182.7700000000 0.0000000000  
1.0000000000  0.0000000000  0.0000000000   0.0000000000  0.0000000000  -1.0000000000 0.0000000000   
4  'crystal symmetry operation' 4_555  x,-y,-z          1.0000000000  0.0000000000  0.0000000000  0.0000000000    0.0000000000  
-1.0000000000 0.0000000000  0.0000000000   0.0000000000  0.0000000000  -1.0000000000 0.0000000000   
5  'crystal symmetry operation' 17_555 x,z,-y           1.0000000000  0.0000000000  0.0000000000  0.0000000000    0.0000000000  
0.0000000000  1.0000000000  0.0000000000   0.0000000000  -1.0000000000 0.0000000000  0.0000000000   
6  'crystal symmetry operation' 18_455 -x-1,z,y         -1.0000000000 0.0000000000  0.0000000000  -182.7700000000 0.0000000000  
0.0000000000  1.0000000000  0.0000000000   0.0000000000  1.0000000000  0.0000000000  0.0000000000   
7  'crystal symmetry operation' 19_455 -x-1,-z,-y       -1.0000000000 0.0000000000  0.0000000000  -182.7700000000 0.0000000000  
0.0000000000  -1.0000000000 0.0000000000   0.0000000000  -1.0000000000 0.0000000000  0.0000000000   
8  'crystal symmetry operation' 20_555 x,-z,y           1.0000000000  0.0000000000  0.0000000000  0.0000000000    0.0000000000  
0.0000000000  -1.0000000000 0.0000000000   0.0000000000  1.0000000000  0.0000000000  0.0000000000   
9  'crystal symmetry operation' 57_455 y-1/2,z,x+1/2    0.0000000000  1.0000000000  0.0000000000  -91.3850000000  0.0000000000  
0.0000000000  1.0000000000  0.0000000000   1.0000000000  0.0000000000  0.0000000000  91.3850000000  
10 'crystal symmetry operation' 58_454 -y-1/2,z,-x-1/2  0.0000000000  -1.0000000000 0.0000000000  -91.3850000000  0.0000000000  
0.0000000000  1.0000000000  0.0000000000   -1.0000000000 0.0000000000  0.0000000000  -91.3850000000 
11 'crystal symmetry operation' 59_454 y-1/2,-z,-x-1/2  0.0000000000  1.0000000000  0.0000000000  -91.3850000000  0.0000000000  
0.0000000000  -1.0000000000 0.0000000000   -1.0000000000 0.0000000000  0.0000000000  -91.3850000000 
12 'crystal symmetry operation' 60_455 -y-1/2,-z,x+1/2  0.0000000000  -1.0000000000 0.0000000000  -91.3850000000  0.0000000000  
0.0000000000  -1.0000000000 0.0000000000   1.0000000000  0.0000000000  0.0000000000  91.3850000000  
13 'crystal symmetry operation' 69_454 z-1/2,y,-x-1/2   0.0000000000  0.0000000000  1.0000000000  -91.3850000000  0.0000000000  
1.0000000000  0.0000000000  0.0000000000   -1.0000000000 0.0000000000  0.0000000000  -91.3850000000 
14 'crystal symmetry operation' 70_455 z-1/2,-y,x+1/2   0.0000000000  0.0000000000  1.0000000000  -91.3850000000  0.0000000000  
-1.0000000000 0.0000000000  0.0000000000   1.0000000000  0.0000000000  0.0000000000  91.3850000000  
15 'crystal symmetry operation' 71_455 -z-1/2,y,x+1/2   0.0000000000  0.0000000000  -1.0000000000 -91.3850000000  0.0000000000  
1.0000000000  0.0000000000  0.0000000000   1.0000000000  0.0000000000  0.0000000000  91.3850000000  
16 'crystal symmetry operation' 72_454 -z-1/2,-y,-x-1/2 0.0000000000  0.0000000000  -1.0000000000 -91.3850000000  0.0000000000  
-1.0000000000 0.0000000000  0.0000000000   -1.0000000000 0.0000000000  0.0000000000  -91.3850000000 
17 'crystal symmetry operation' 77_455 z-1/2,x+1/2,y    0.0000000000  0.0000000000  1.0000000000  -91.3850000000  1.0000000000  
0.0000000000  0.0000000000  91.3850000000  0.0000000000  1.0000000000  0.0000000000  0.0000000000   
18 'crystal symmetry operation' 78_445 z-1/2,-x-1/2,-y  0.0000000000  0.0000000000  1.0000000000  -91.3850000000  -1.0000000000 
0.0000000000  0.0000000000  -91.3850000000 0.0000000000  -1.0000000000 0.0000000000  0.0000000000   
19 'crystal symmetry operation' 79_445 -z-1/2,-x-1/2,y  0.0000000000  0.0000000000  -1.0000000000 -91.3850000000  -1.0000000000 
0.0000000000  0.0000000000  -91.3850000000 0.0000000000  1.0000000000  0.0000000000  0.0000000000   
20 'crystal symmetry operation' 80_455 -z-1/2,x+1/2,-y  0.0000000000  0.0000000000  -1.0000000000 -91.3850000000  1.0000000000  
0.0000000000  0.0000000000  91.3850000000  0.0000000000  -1.0000000000 0.0000000000  0.0000000000   
21 'crystal symmetry operation' 85_455 y-1/2,x+1/2,-z   0.0000000000  1.0000000000  0.0000000000  -91.3850000000  1.0000000000  
0.0000000000  0.0000000000  91.3850000000  0.0000000000  0.0000000000  -1.0000000000 0.0000000000   
22 'crystal symmetry operation' 86_445 -y-1/2,-x-1/2,-z 0.0000000000  -1.0000000000 0.0000000000  -91.3850000000  -1.0000000000 
0.0000000000  0.0000000000  -91.3850000000 0.0000000000  0.0000000000  -1.0000000000 0.0000000000   
23 'crystal symmetry operation' 87_445 y-1/2,-x-1/2,z   0.0000000000  1.0000000000  0.0000000000  -91.3850000000  -1.0000000000 
0.0000000000  0.0000000000  -91.3850000000 0.0000000000  0.0000000000  1.0000000000  0.0000000000   
24 'crystal symmetry operation' 88_455 -y-1/2,x+1/2,z   0.0000000000  -1.0000000000 0.0000000000  -91.3850000000  1.0000000000  
0.0000000000  0.0000000000  91.3850000000  0.0000000000  0.0000000000  1.0000000000  0.0000000000   
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 5   ? SER A 34  ? HIS A 13  SER A 42  1 ? 30 
HELX_P HELX_P2 AA2 LEU A 40  ? GLY A 69  ? LEU A 48  GLY A 77  1 ? 30 
HELX_P HELX_P3 AA3 SER A 87  ? LYS A 116 ? SER A 95  LYS A 124 1 ? 30 
HELX_P HELX_P4 AA4 ASP A 118 ? TYR A 129 ? ASP A 126 TYR A 137 1 ? 12 
HELX_P HELX_P5 AA5 TYR A 129 ? GLY A 151 ? TYR A 137 GLY A 159 1 ? 23 
HELX_P HELX_P6 AA6 LEU A 157 ? THR A 166 ? LEU A 165 THR A 174 1 ? 10 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
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 ASN 17  ND2 ? ? ? 1_555 N MG  . MG ? ? A ASN 25  A MG  213 1_555  ? ? ? ? ? ? ? 2.995 ? ? 
metalc2  metalc ? ? A GLU 19  OE1 ? ? ? 1_555 B FE  . FE ? ? A GLU 27  A FE  201 1_555  ? ? ? ? ? ? ? 2.020 ? ? 
metalc3  metalc ? ? A TYR 24  OH  ? ? ? 1_555 N MG  . MG ? ? A TYR 32  A MG  213 86_445 ? ? ? ? ? ? ? 2.810 ? ? 
metalc4  metalc ? ? A HIS 49  NE2 ? ? ? 1_555 E FE  . FE ? ? A HIS 57  A FE  204 1_555  ? ? ? ? ? ? ? 2.233 ? ? 
metalc5  metalc ? ? A GLN 50  OE1 ? ? ? 1_555 J MG  . MG ? ? A GLN 58  A MG  209 1_555  ? ? ? ? ? ? ? 2.338 ? ? 
metalc6  metalc ? ? A GLN 50  NE2 ? ? ? 1_555 J MG  . MG ? ? A GLN 58  A MG  209 1_555  ? ? ? ? ? ? ? 2.272 ? ? 
metalc7  metalc ? ? A GLU 53  OE2 ? ? ? 1_555 E FE  . FE ? ? A GLU 61  A FE  204 1_555  ? ? ? ? ? ? ? 2.037 ? ? 
metalc8  metalc ? ? A GLU 53  OE1 ? ? ? 1_555 J MG  . MG ? ? A GLU 61  A MG  209 1_555  ? ? ? ? ? ? ? 2.115 ? ? 
metalc9  metalc ? ? A GLU 54  OE1 ? ? ? 1_555 B FE  . FE ? ? A GLU 62  A FE  201 1_555  ? ? ? ? ? ? ? 2.024 ? ? 
metalc10 metalc ? ? A GLU 54  OE2 ? ? ? 1_555 C FE  . FE ? ? A GLU 62  A FE  202 1_555  ? ? ? ? ? ? ? 2.028 ? ? 
metalc11 metalc ? ? A HIS 57  ND1 A ? ? 1_555 B FE  . FE ? ? A HIS 65  A FE  201 1_555  ? ? ? ? ? ? ? 2.184 ? ? 
metalc12 metalc ? ? A HIS 57  ND1 B ? ? 1_555 B FE  . FE ? ? A HIS 65  A FE  201 1_555  ? ? ? ? ? ? ? 2.174 ? ? 
metalc13 metalc ? ? A GLN 75  N   ? ? ? 1_555 N MG  . MG ? ? A GLN 83  A MG  213 1_555  ? ? ? ? ? ? ? 2.978 ? ? 
metalc14 metalc ? ? A GLU 99  OE1 ? ? ? 1_555 C FE  . FE ? ? A GLU 107 A FE  202 1_555  ? ? ? ? ? ? ? 2.030 ? ? 
metalc15 metalc ? ? A GLU 99  OE2 ? ? ? 1_555 C FE  . FE ? ? A GLU 107 A FE  202 1_555  ? ? ? ? ? ? ? 2.099 ? ? 
metalc16 metalc ? ? A GLU 132 OE2 ? ? ? 1_555 I MG  . MG ? ? A GLU 140 A MG  208 1_555  ? ? ? ? ? ? ? 2.075 ? ? 
metalc17 metalc ? ? A SER 136 OG  A ? ? 1_555 I MG  . MG ? ? A SER 144 A MG  208 1_555  ? ? ? ? ? ? ? 2.077 ? ? 
metalc18 metalc ? ? A HIS 165 NE2 ? ? ? 1_555 D FE  . FE ? ? A HIS 173 A FE  203 1_555  ? ? ? ? ? ? ? 2.309 ? ? 
metalc19 metalc ? ? A HIS 165 NE2 ? ? ? 1_555 D FE  . FE ? ? A HIS 173 A FE  203 4_555  ? ? ? ? ? ? ? 2.309 ? ? 
metalc20 metalc ? ? B FE  .   FE  ? ? ? 1_555 X PEO . O1 ? ? A FE  201 A PEO 223 1_555  ? ? ? ? ? ? ? 2.067 ? ? 
metalc21 metalc ? ? B FE  .   FE  ? ? ? 1_555 X PEO . O2 ? ? A FE  201 A PEO 223 1_555  ? ? ? ? ? ? ? 2.016 ? ? 
metalc22 metalc ? ? B FE  .   FE  ? ? ? 1_555 Y HOH . O  ? ? A FE  201 A HOH 307 1_555  ? ? ? ? ? ? ? 2.112 ? ? 
metalc23 metalc ? ? C FE  .   FE  ? ? ? 1_555 X PEO . O1 ? ? A FE  202 A PEO 223 1_555  ? ? ? ? ? ? ? 1.841 ? ? 
metalc24 metalc ? ? C FE  .   FE  ? ? ? 1_555 X PEO . O2 ? ? A FE  202 A PEO 223 1_555  ? ? ? ? ? ? ? 2.038 ? ? 
metalc25 metalc ? ? C FE  .   FE  ? ? ? 1_555 Y HOH . O  ? ? A FE  202 A HOH 311 1_555  ? ? ? ? ? ? ? 2.288 ? ? 
metalc26 metalc ? ? E FE  .   FE  ? ? ? 1_555 Y HOH . O  ? ? A FE  204 A HOH 381 1_555  ? ? ? ? ? ? ? 2.700 ? ? 
metalc27 metalc ? ? E FE  .   FE  ? ? ? 1_555 Y HOH . O  ? ? A FE  204 A HOH 442 1_555  ? ? ? ? ? ? ? 2.186 ? ? 
metalc28 metalc ? ? E FE  .   FE  ? ? ? 1_555 Y HOH . O  ? ? A FE  204 A HOH 444 1_555  ? ? ? ? ? ? ? 2.161 ? ? 
metalc29 metalc ? ? F MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  205 A HOH 346 1_555  ? ? ? ? ? ? ? 2.037 ? ? 
metalc30 metalc ? ? F MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  205 A HOH 346 58_454 ? ? ? ? ? ? ? 2.037 ? ? 
metalc31 metalc ? ? F MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  205 A HOH 439 1_555  ? ? ? ? ? ? ? 2.069 ? ? 
metalc32 metalc ? ? F MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  205 A HOH 439 79_445 ? ? ? ? ? ? ? 2.069 ? ? 
metalc33 metalc ? ? G MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  206 A HOH 324 1_555  ? ? ? ? ? ? ? 1.870 ? ? 
metalc34 metalc ? ? G MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  206 A HOH 324 58_454 ? ? ? ? ? ? ? 1.870 ? ? 
metalc35 metalc ? ? H MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  207 A HOH 323 1_555  ? ? ? ? ? ? ? 2.031 ? ? 
metalc36 metalc ? ? H MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  207 A HOH 323 13_555 ? ? ? ? ? ? ? 2.031 ? ? 
metalc37 metalc ? ? H MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  207 A HOH 332 1_555  ? ? ? ? ? ? ? 2.033 ? ? 
metalc38 metalc ? ? H MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  207 A HOH 332 13_555 ? ? ? ? ? ? ? 2.033 ? ? 
metalc39 metalc ? ? H MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  207 A HOH 456 74_445 ? ? ? ? ? ? ? 2.154 ? ? 
metalc40 metalc ? ? H MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  207 A HOH 480 74_445 ? ? ? ? ? ? ? 2.135 ? ? 
metalc41 metalc ? ? I MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  208 A HOH 301 1_555  ? ? ? ? ? ? ? 2.263 ? ? 
metalc42 metalc ? ? I MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  208 A HOH 302 1_555  ? ? ? ? ? ? ? 1.984 ? ? 
metalc43 metalc ? ? I MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  208 A HOH 311 1_555  ? ? ? ? ? ? ? 2.174 ? ? 
metalc44 metalc ? ? I MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  208 A HOH 319 1_555  ? ? ? ? ? ? ? 2.252 ? ? 
metalc45 metalc ? ? I MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  208 A HOH 433 1_555  ? ? ? ? ? ? ? 2.998 ? ? 
metalc46 metalc ? ? J MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  209 A HOH 302 1_555  ? ? ? ? ? ? ? 2.384 ? ? 
metalc47 metalc ? ? J MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  209 A HOH 370 1_555  ? ? ? ? ? ? ? 2.296 ? ? 
metalc48 metalc ? ? J MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  209 A HOH 386 1_555  ? ? ? ? ? ? ? 2.132 ? ? 
metalc49 metalc ? ? J MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  209 A HOH 433 1_555  ? ? ? ? ? ? ? 2.091 ? ? 
metalc50 metalc ? ? K MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  210 A HOH 329 1_555  ? ? ? ? ? ? ? 2.952 ? ? 
metalc51 metalc ? ? K MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  210 A HOH 403 13_555 ? ? ? ? ? ? ? 2.578 ? ? 
metalc52 metalc ? ? K MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  210 A HOH 480 1_555  ? ? ? ? ? ? ? 2.795 ? ? 
metalc53 metalc ? ? K MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  210 A HOH 480 13_555 ? ? ? ? ? ? ? 2.795 ? ? 
metalc54 metalc ? ? L MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  211 A HOH 426 1_555  ? ? ? ? ? ? ? 2.400 ? ? 
metalc55 metalc ? ? M MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  212 A HOH 353 1_555  ? ? ? ? ? ? ? 2.771 ? ? 
metalc56 metalc ? ? N MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  213 A HOH 369 1_555  ? ? ? ? ? ? ? 2.680 ? ? 
metalc57 metalc ? ? O MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  214 A HOH 308 58_454 ? ? ? ? ? ? ? 1.804 ? ? 
metalc58 metalc ? ? O MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  214 A HOH 313 1_555  ? ? ? ? ? ? ? 2.355 ? ? 
metalc59 metalc ? ? O MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  214 A HOH 354 58_454 ? ? ? ? ? ? ? 2.525 ? ? 
metalc60 metalc ? ? O MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  214 A HOH 367 1_555  ? ? ? ? ? ? ? 2.122 ? ? 
metalc61 metalc ? ? O MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  214 A HOH 434 58_454 ? ? ? ? ? ? ? 2.803 ? ? 
metalc62 metalc ? ? O MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  214 A HOH 438 58_454 ? ? ? ? ? ? ? 2.314 ? ? 
metalc63 metalc ? ? O MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  214 A HOH 466 58_454 ? ? ? ? ? ? ? 1.715 ? ? 
metalc64 metalc ? ? O MG  .   MG  ? ? ? 1_555 Y HOH . O  ? ? A MG  214 A HOH 469 1_555  ? ? ? ? ? ? ? 2.785 ? ? 
# 
_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   ND2 ? A ASN 17  ? A ASN 25  ? 1_555  MG ? N MG . ? A MG 213 ? 1_555 OH  ? A TYR 24  ? A TYR 32  ? 1_555  53.2  ? 
2   ND2 ? A ASN 17  ? A ASN 25  ? 1_555  MG ? N MG . ? A MG 213 ? 1_555 N   ? A GLN 75  ? A GLN 83  ? 1_555  90.9  ? 
3   OH  ? A TYR 24  ? A TYR 32  ? 1_555  MG ? N MG . ? A MG 213 ? 1_555 N   ? A GLN 75  ? A GLN 83  ? 1_555  96.1  ? 
4   ND2 ? A ASN 17  ? A ASN 25  ? 1_555  MG ? N MG . ? A MG 213 ? 1_555 O   ? Y HOH .   ? A HOH 369 ? 1_555  122.9 ? 
5   OH  ? A TYR 24  ? A TYR 32  ? 1_555  MG ? N MG . ? A MG 213 ? 1_555 O   ? Y HOH .   ? A HOH 369 ? 1_555  171.0 ? 
6   N   ? A GLN 75  ? A GLN 83  ? 1_555  MG ? N MG . ? A MG 213 ? 1_555 O   ? Y HOH .   ? A HOH 369 ? 1_555  92.0  ? 
7   OE1 ? A GLU 19  ? A GLU 27  ? 1_555  FE ? B FE . ? A FE 201 ? 1_555 OE1 ? A GLU 54  ? A GLU 62  ? 1_555  90.1  ? 
8   OE1 ? A GLU 19  ? A GLU 27  ? 1_555  FE ? B FE . ? A FE 201 ? 1_555 ND1 A A HIS 57  ? A HIS 65  ? 1_555  106.8 ? 
9   OE1 ? A GLU 54  ? A GLU 62  ? 1_555  FE ? B FE . ? A FE 201 ? 1_555 ND1 A A HIS 57  ? A HIS 65  ? 1_555  89.9  ? 
10  OE1 ? A GLU 19  ? A GLU 27  ? 1_555  FE ? B FE . ? A FE 201 ? 1_555 ND1 B A HIS 57  ? A HIS 65  ? 1_555  96.1  ? 
11  OE1 ? A GLU 54  ? A GLU 62  ? 1_555  FE ? B FE . ? A FE 201 ? 1_555 ND1 B A HIS 57  ? A HIS 65  ? 1_555  123.1 ? 
12  ND1 A A HIS 57  ? A HIS 65  ? 1_555  FE ? B FE . ? A FE 201 ? 1_555 ND1 B A HIS 57  ? A HIS 65  ? 1_555  34.4  ? 
13  OE1 ? A GLU 19  ? A GLU 27  ? 1_555  FE ? B FE . ? A FE 201 ? 1_555 O1  ? X PEO .   ? A PEO 223 ? 1_555  163.9 ? 
14  OE1 ? A GLU 54  ? A GLU 62  ? 1_555  FE ? B FE . ? A FE 201 ? 1_555 O1  ? X PEO .   ? A PEO 223 ? 1_555  92.7  ? 
15  ND1 A A HIS 57  ? A HIS 65  ? 1_555  FE ? B FE . ? A FE 201 ? 1_555 O1  ? X PEO .   ? A PEO 223 ? 1_555  89.0  ? 
16  ND1 B A HIS 57  ? A HIS 65  ? 1_555  FE ? B FE . ? A FE 201 ? 1_555 O1  ? X PEO .   ? A PEO 223 ? 1_555  95.6  ? 
17  OE1 ? A GLU 19  ? A GLU 27  ? 1_555  FE ? B FE . ? A FE 201 ? 1_555 O2  ? X PEO .   ? A PEO 223 ? 1_555  124.4 ? 
18  OE1 ? A GLU 54  ? A GLU 62  ? 1_555  FE ? B FE . ? A FE 201 ? 1_555 O2  ? X PEO .   ? A PEO 223 ? 1_555  85.8  ? 
19  ND1 A A HIS 57  ? A HIS 65  ? 1_555  FE ? B FE . ? A FE 201 ? 1_555 O2  ? X PEO .   ? A PEO 223 ? 1_555  128.6 ? 
20  ND1 B A HIS 57  ? A HIS 65  ? 1_555  FE ? B FE . ? A FE 201 ? 1_555 O2  ? X PEO .   ? A PEO 223 ? 1_555  131.4 ? 
21  O1  ? X PEO .   ? A PEO 223 ? 1_555  FE ? B FE . ? A FE 201 ? 1_555 O2  ? X PEO .   ? A PEO 223 ? 1_555  40.3  ? 
22  OE1 ? A GLU 19  ? A GLU 27  ? 1_555  FE ? B FE . ? A FE 201 ? 1_555 O   ? Y HOH .   ? A HOH 307 ? 1_555  85.2  ? 
23  OE1 ? A GLU 54  ? A GLU 62  ? 1_555  FE ? B FE . ? A FE 201 ? 1_555 O   ? Y HOH .   ? A HOH 307 ? 1_555  169.2 ? 
24  ND1 A A HIS 57  ? A HIS 65  ? 1_555  FE ? B FE . ? A FE 201 ? 1_555 O   ? Y HOH .   ? A HOH 307 ? 1_555  100.8 ? 
25  ND1 B A HIS 57  ? A HIS 65  ? 1_555  FE ? B FE . ? A FE 201 ? 1_555 O   ? Y HOH .   ? A HOH 307 ? 1_555  67.1  ? 
26  O1  ? X PEO .   ? A PEO 223 ? 1_555  FE ? B FE . ? A FE 201 ? 1_555 O   ? Y HOH .   ? A HOH 307 ? 1_555  89.2  ? 
27  O2  ? X PEO .   ? A PEO 223 ? 1_555  FE ? B FE . ? A FE 201 ? 1_555 O   ? Y HOH .   ? A HOH 307 ? 1_555  88.9  ? 
28  NE2 ? A HIS 49  ? A HIS 57  ? 1_555  FE ? E FE . ? A FE 204 ? 1_555 OE2 ? A GLU 53  ? A GLU 61  ? 1_555  82.3  ? 
29  NE2 ? A HIS 49  ? A HIS 57  ? 1_555  FE ? E FE . ? A FE 204 ? 1_555 O   ? Y HOH .   ? A HOH 381 ? 1_555  76.3  ? 
30  OE2 ? A GLU 53  ? A GLU 61  ? 1_555  FE ? E FE . ? A FE 204 ? 1_555 O   ? Y HOH .   ? A HOH 381 ? 1_555  71.8  ? 
31  NE2 ? A HIS 49  ? A HIS 57  ? 1_555  FE ? E FE . ? A FE 204 ? 1_555 O   ? Y HOH .   ? A HOH 442 ? 1_555  99.2  ? 
32  OE2 ? A GLU 53  ? A GLU 61  ? 1_555  FE ? E FE . ? A FE 204 ? 1_555 O   ? Y HOH .   ? A HOH 442 ? 1_555  172.9 ? 
33  O   ? Y HOH .   ? A HOH 381 ? 1_555  FE ? E FE . ? A FE 204 ? 1_555 O   ? Y HOH .   ? A HOH 442 ? 1_555  115.3 ? 
34  NE2 ? A HIS 49  ? A HIS 57  ? 1_555  FE ? E FE . ? A FE 204 ? 1_555 O   ? Y HOH .   ? A HOH 444 ? 1_555  100.9 ? 
35  OE2 ? A GLU 53  ? A GLU 61  ? 1_555  FE ? E FE . ? A FE 204 ? 1_555 O   ? Y HOH .   ? A HOH 444 ? 1_555  110.6 ? 
36  O   ? Y HOH .   ? A HOH 381 ? 1_555  FE ? E FE . ? A FE 204 ? 1_555 O   ? Y HOH .   ? A HOH 444 ? 1_555  176.1 ? 
37  O   ? Y HOH .   ? A HOH 442 ? 1_555  FE ? E FE . ? A FE 204 ? 1_555 O   ? Y HOH .   ? A HOH 444 ? 1_555  62.3  ? 
38  OE1 ? A GLN 50  ? A GLN 58  ? 1_555  MG ? J MG . ? A MG 209 ? 1_555 NE2 ? A GLN 50  ? A GLN 58  ? 1_555  57.6  ? 
39  OE1 ? A GLN 50  ? A GLN 58  ? 1_555  MG ? J MG . ? A MG 209 ? 1_555 OE1 ? A GLU 53  ? A GLU 61  ? 1_555  113.9 ? 
40  NE2 ? A GLN 50  ? A GLN 58  ? 1_555  MG ? J MG . ? A MG 209 ? 1_555 OE1 ? A GLU 53  ? A GLU 61  ? 1_555  91.0  ? 
41  OE1 ? A GLN 50  ? A GLN 58  ? 1_555  MG ? J MG . ? A MG 209 ? 1_555 O   ? Y HOH .   ? A HOH 302 ? 1_555  112.5 ? 
42  NE2 ? A GLN 50  ? A GLN 58  ? 1_555  MG ? J MG . ? A MG 209 ? 1_555 O   ? Y HOH .   ? A HOH 302 ? 1_555  55.5  ? 
43  OE1 ? A GLU 53  ? A GLU 61  ? 1_555  MG ? J MG . ? A MG 209 ? 1_555 O   ? Y HOH .   ? A HOH 302 ? 1_555  60.7  ? 
44  OE1 ? A GLN 50  ? A GLN 58  ? 1_555  MG ? J MG . ? A MG 209 ? 1_555 O   ? Y HOH .   ? A HOH 370 ? 1_555  162.2 ? 
45  NE2 ? A GLN 50  ? A GLN 58  ? 1_555  MG ? J MG . ? A MG 209 ? 1_555 O   ? Y HOH .   ? A HOH 370 ? 1_555  137.8 ? 
46  OE1 ? A GLU 53  ? A GLU 61  ? 1_555  MG ? J MG . ? A MG 209 ? 1_555 O   ? Y HOH .   ? A HOH 370 ? 1_555  78.5  ? 
47  O   ? Y HOH .   ? A HOH 302 ? 1_555  MG ? J MG . ? A MG 209 ? 1_555 O   ? Y HOH .   ? A HOH 370 ? 1_555  84.5  ? 
48  OE1 ? A GLN 50  ? A GLN 58  ? 1_555  MG ? J MG . ? A MG 209 ? 1_555 O   ? Y HOH .   ? A HOH 386 ? 1_555  99.9  ? 
49  NE2 ? A GLN 50  ? A GLN 58  ? 1_555  MG ? J MG . ? A MG 209 ? 1_555 O   ? Y HOH .   ? A HOH 386 ? 1_555  157.5 ? 
50  OE1 ? A GLU 53  ? A GLU 61  ? 1_555  MG ? J MG . ? A MG 209 ? 1_555 O   ? Y HOH .   ? A HOH 386 ? 1_555  99.5  ? 
51  O   ? Y HOH .   ? A HOH 302 ? 1_555  MG ? J MG . ? A MG 209 ? 1_555 O   ? Y HOH .   ? A HOH 386 ? 1_555  146.6 ? 
52  O   ? Y HOH .   ? A HOH 370 ? 1_555  MG ? J MG . ? A MG 209 ? 1_555 O   ? Y HOH .   ? A HOH 386 ? 1_555  64.3  ? 
53  OE1 ? A GLN 50  ? A GLN 58  ? 1_555  MG ? J MG . ? A MG 209 ? 1_555 O   ? Y HOH .   ? A HOH 433 ? 1_555  111.0 ? 
54  NE2 ? A GLN 50  ? A GLN 58  ? 1_555  MG ? J MG . ? A MG 209 ? 1_555 O   ? Y HOH .   ? A HOH 433 ? 1_555  100.3 ? 
55  OE1 ? A GLU 53  ? A GLU 61  ? 1_555  MG ? J MG . ? A MG 209 ? 1_555 O   ? Y HOH .   ? A HOH 433 ? 1_555  132.5 ? 
56  O   ? Y HOH .   ? A HOH 302 ? 1_555  MG ? J MG . ? A MG 209 ? 1_555 O   ? Y HOH .   ? A HOH 433 ? 1_555  88.5  ? 
57  O   ? Y HOH .   ? A HOH 370 ? 1_555  MG ? J MG . ? A MG 209 ? 1_555 O   ? Y HOH .   ? A HOH 433 ? 1_555  62.2  ? 
58  O   ? Y HOH .   ? A HOH 386 ? 1_555  MG ? J MG . ? A MG 209 ? 1_555 O   ? Y HOH .   ? A HOH 433 ? 1_555  87.3  ? 
59  OE2 ? A GLU 54  ? A GLU 62  ? 1_555  FE ? C FE . ? A FE 202 ? 1_555 OE1 ? A GLU 99  ? A GLU 107 ? 1_555  160.9 ? 
60  OE2 ? A GLU 54  ? A GLU 62  ? 1_555  FE ? C FE . ? A FE 202 ? 1_555 OE2 ? A GLU 99  ? A GLU 107 ? 1_555  99.5  ? 
61  OE1 ? A GLU 99  ? A GLU 107 ? 1_555  FE ? C FE . ? A FE 202 ? 1_555 OE2 ? A GLU 99  ? A GLU 107 ? 1_555  63.8  ? 
62  OE2 ? A GLU 54  ? A GLU 62  ? 1_555  FE ? C FE . ? A FE 202 ? 1_555 O1  ? X PEO .   ? A PEO 223 ? 1_555  86.5  ? 
63  OE1 ? A GLU 99  ? A GLU 107 ? 1_555  FE ? C FE . ? A FE 202 ? 1_555 O1  ? X PEO .   ? A PEO 223 ? 1_555  111.6 ? 
64  OE2 ? A GLU 99  ? A GLU 107 ? 1_555  FE ? C FE . ? A FE 202 ? 1_555 O1  ? X PEO .   ? A PEO 223 ? 1_555  168.6 ? 
65  OE2 ? A GLU 54  ? A GLU 62  ? 1_555  FE ? C FE . ? A FE 202 ? 1_555 O2  ? X PEO .   ? A PEO 223 ? 1_555  89.1  ? 
66  OE1 ? A GLU 99  ? A GLU 107 ? 1_555  FE ? C FE . ? A FE 202 ? 1_555 O2  ? X PEO .   ? A PEO 223 ? 1_555  100.3 ? 
67  OE2 ? A GLU 99  ? A GLU 107 ? 1_555  FE ? C FE . ? A FE 202 ? 1_555 O2  ? X PEO .   ? A PEO 223 ? 1_555  146.8 ? 
68  O1  ? X PEO .   ? A PEO 223 ? 1_555  FE ? C FE . ? A FE 202 ? 1_555 O2  ? X PEO .   ? A PEO 223 ? 1_555  42.1  ? 
69  OE2 ? A GLU 54  ? A GLU 62  ? 1_555  FE ? C FE . ? A FE 202 ? 1_555 O   ? Y HOH .   ? A HOH 311 ? 1_555  106.1 ? 
70  OE1 ? A GLU 99  ? A GLU 107 ? 1_555  FE ? C FE . ? A FE 202 ? 1_555 O   ? Y HOH .   ? A HOH 311 ? 1_555  85.9  ? 
71  OE2 ? A GLU 99  ? A GLU 107 ? 1_555  FE ? C FE . ? A FE 202 ? 1_555 O   ? Y HOH .   ? A HOH 311 ? 1_555  96.4  ? 
72  O1  ? X PEO .   ? A PEO 223 ? 1_555  FE ? C FE . ? A FE 202 ? 1_555 O   ? Y HOH .   ? A HOH 311 ? 1_555  72.5  ? 
73  O2  ? X PEO .   ? A PEO 223 ? 1_555  FE ? C FE . ? A FE 202 ? 1_555 O   ? Y HOH .   ? A HOH 311 ? 1_555  112.0 ? 
74  OE2 ? A GLU 132 ? A GLU 140 ? 1_555  MG ? I MG . ? A MG 208 ? 1_555 OG  A A SER 136 ? A SER 144 ? 1_555  94.0  ? 
75  OE2 ? A GLU 132 ? A GLU 140 ? 1_555  MG ? I MG . ? A MG 208 ? 1_555 O   ? Y HOH .   ? A HOH 301 ? 1_555  59.4  ? 
76  OG  A A SER 136 ? A SER 144 ? 1_555  MG ? I MG . ? A MG 208 ? 1_555 O   ? Y HOH .   ? A HOH 301 ? 1_555  153.1 ? 
77  OE2 ? A GLU 132 ? A GLU 140 ? 1_555  MG ? I MG . ? A MG 208 ? 1_555 O   ? Y HOH .   ? A HOH 302 ? 1_555  118.1 ? 
78  OG  A A SER 136 ? A SER 144 ? 1_555  MG ? I MG . ? A MG 208 ? 1_555 O   ? Y HOH .   ? A HOH 302 ? 1_555  142.2 ? 
79  O   ? Y HOH .   ? A HOH 301 ? 1_555  MG ? I MG . ? A MG 208 ? 1_555 O   ? Y HOH .   ? A HOH 302 ? 1_555  60.6  ? 
80  OE2 ? A GLU 132 ? A GLU 140 ? 1_555  MG ? I MG . ? A MG 208 ? 1_555 O   ? Y HOH .   ? A HOH 311 ? 1_555  100.3 ? 
81  OG  A A SER 136 ? A SER 144 ? 1_555  MG ? I MG . ? A MG 208 ? 1_555 O   ? Y HOH .   ? A HOH 311 ? 1_555  86.3  ? 
82  O   ? Y HOH .   ? A HOH 301 ? 1_555  MG ? I MG . ? A MG 208 ? 1_555 O   ? Y HOH .   ? A HOH 311 ? 1_555  101.6 ? 
83  O   ? Y HOH .   ? A HOH 302 ? 1_555  MG ? I MG . ? A MG 208 ? 1_555 O   ? Y HOH .   ? A HOH 311 ? 1_555  105.4 ? 
84  OE2 ? A GLU 132 ? A GLU 140 ? 1_555  MG ? I MG . ? A MG 208 ? 1_555 O   ? Y HOH .   ? A HOH 319 ? 1_555  170.7 ? 
85  OG  A A SER 136 ? A SER 144 ? 1_555  MG ? I MG . ? A MG 208 ? 1_555 O   ? Y HOH .   ? A HOH 319 ? 1_555  91.3  ? 
86  O   ? Y HOH .   ? A HOH 301 ? 1_555  MG ? I MG . ? A MG 208 ? 1_555 O   ? Y HOH .   ? A HOH 319 ? 1_555  115.7 ? 
87  O   ? Y HOH .   ? A HOH 302 ? 1_555  MG ? I MG . ? A MG 208 ? 1_555 O   ? Y HOH .   ? A HOH 319 ? 1_555  60.2  ? 
88  O   ? Y HOH .   ? A HOH 311 ? 1_555  MG ? I MG . ? A MG 208 ? 1_555 O   ? Y HOH .   ? A HOH 319 ? 1_555  72.4  ? 
89  OE2 ? A GLU 132 ? A GLU 140 ? 1_555  MG ? I MG . ? A MG 208 ? 1_555 O   ? Y HOH .   ? A HOH 433 ? 1_555  106.8 ? 
90  OG  A A SER 136 ? A SER 144 ? 1_555  MG ? I MG . ? A MG 208 ? 1_555 O   ? Y HOH .   ? A HOH 433 ? 1_555  77.3  ? 
91  O   ? Y HOH .   ? A HOH 301 ? 1_555  MG ? I MG . ? A MG 208 ? 1_555 O   ? Y HOH .   ? A HOH 433 ? 1_555  104.8 ? 
92  O   ? Y HOH .   ? A HOH 302 ? 1_555  MG ? I MG . ? A MG 208 ? 1_555 O   ? Y HOH .   ? A HOH 433 ? 1_555  74.7  ? 
93  O   ? Y HOH .   ? A HOH 311 ? 1_555  MG ? I MG . ? A MG 208 ? 1_555 O   ? Y HOH .   ? A HOH 433 ? 1_555  149.0 ? 
94  O   ? Y HOH .   ? A HOH 319 ? 1_555  MG ? I MG . ? A MG 208 ? 1_555 O   ? Y HOH .   ? A HOH 433 ? 1_555  81.8  ? 
95  NE2 ? A HIS 165 ? A HIS 173 ? 1_555  FE ? D FE . ? A FE 203 ? 1_555 NE2 ? A HIS 165 ? A HIS 173 ? 1_555  0.0   ? 
96  O   ? Y HOH .   ? A HOH 346 ? 1_555  MG ? F MG . ? A MG 205 ? 1_555 O   ? Y HOH .   ? A HOH 346 ? 58_454 97.0  ? 
97  O   ? Y HOH .   ? A HOH 346 ? 1_555  MG ? F MG . ? A MG 205 ? 1_555 O   ? Y HOH .   ? A HOH 439 ? 1_555  79.6  ? 
98  O   ? Y HOH .   ? A HOH 346 ? 58_454 MG ? F MG . ? A MG 205 ? 1_555 O   ? Y HOH .   ? A HOH 439 ? 1_555  88.1  ? 
99  O   ? Y HOH .   ? A HOH 346 ? 1_555  MG ? F MG . ? A MG 205 ? 1_555 O   ? Y HOH .   ? A HOH 439 ? 79_445 88.1  ? 
100 O   ? Y HOH .   ? A HOH 346 ? 58_454 MG ? F MG . ? A MG 205 ? 1_555 O   ? Y HOH .   ? A HOH 439 ? 79_445 174.2 ? 
101 O   ? Y HOH .   ? A HOH 439 ? 1_555  MG ? F MG . ? A MG 205 ? 1_555 O   ? Y HOH .   ? A HOH 439 ? 79_445 95.5  ? 
102 O   ? Y HOH .   ? A HOH 324 ? 1_555  MG ? G MG . ? A MG 206 ? 1_555 O   ? Y HOH .   ? A HOH 324 ? 58_454 112.4 ? 
103 O   ? Y HOH .   ? A HOH 323 ? 1_555  MG ? H MG . ? A MG 207 ? 1_555 O   ? Y HOH .   ? A HOH 323 ? 13_555 0.0   ? 
104 O   ? Y HOH .   ? A HOH 323 ? 1_555  MG ? H MG . ? A MG 207 ? 1_555 O   ? Y HOH .   ? A HOH 332 ? 1_555  89.9  ? 
105 O   ? Y HOH .   ? A HOH 323 ? 13_555 MG ? H MG . ? A MG 207 ? 1_555 O   ? Y HOH .   ? A HOH 332 ? 1_555  89.9  ? 
106 O   ? Y HOH .   ? A HOH 323 ? 1_555  MG ? H MG . ? A MG 207 ? 1_555 O   ? Y HOH .   ? A HOH 332 ? 13_555 89.9  ? 
107 O   ? Y HOH .   ? A HOH 323 ? 13_555 MG ? H MG . ? A MG 207 ? 1_555 O   ? Y HOH .   ? A HOH 332 ? 13_555 89.9  ? 
108 O   ? Y HOH .   ? A HOH 332 ? 1_555  MG ? H MG . ? A MG 207 ? 1_555 O   ? Y HOH .   ? A HOH 332 ? 13_555 179.8 ? 
109 O   ? Y HOH .   ? A HOH 323 ? 1_555  MG ? H MG . ? A MG 207 ? 1_555 O   ? Y HOH .   ? A HOH 456 ? 74_445 89.9  ? 
110 O   ? Y HOH .   ? A HOH 323 ? 13_555 MG ? H MG . ? A MG 207 ? 1_555 O   ? Y HOH .   ? A HOH 456 ? 74_445 89.9  ? 
111 O   ? Y HOH .   ? A HOH 332 ? 1_555  MG ? H MG . ? A MG 207 ? 1_555 O   ? Y HOH .   ? A HOH 456 ? 74_445 89.1  ? 
112 O   ? Y HOH .   ? A HOH 332 ? 13_555 MG ? H MG . ? A MG 207 ? 1_555 O   ? Y HOH .   ? A HOH 456 ? 74_445 90.9  ? 
113 O   ? Y HOH .   ? A HOH 323 ? 1_555  MG ? H MG . ? A MG 207 ? 1_555 O   ? Y HOH .   ? A HOH 480 ? 74_445 180.0 ? 
114 O   ? Y HOH .   ? A HOH 323 ? 13_555 MG ? H MG . ? A MG 207 ? 1_555 O   ? Y HOH .   ? A HOH 480 ? 74_445 180.0 ? 
115 O   ? Y HOH .   ? A HOH 332 ? 1_555  MG ? H MG . ? A MG 207 ? 1_555 O   ? Y HOH .   ? A HOH 480 ? 74_445 90.1  ? 
116 O   ? Y HOH .   ? A HOH 332 ? 13_555 MG ? H MG . ? A MG 207 ? 1_555 O   ? Y HOH .   ? A HOH 480 ? 74_445 90.1  ? 
117 O   ? Y HOH .   ? A HOH 456 ? 74_445 MG ? H MG . ? A MG 207 ? 1_555 O   ? Y HOH .   ? A HOH 480 ? 74_445 90.1  ? 
118 O   ? Y HOH .   ? A HOH 329 ? 1_555  MG ? K MG . ? A MG 210 ? 1_555 O   ? Y HOH .   ? A HOH 403 ? 13_555 98.4  ? 
119 O   ? Y HOH .   ? A HOH 329 ? 1_555  MG ? K MG . ? A MG 210 ? 1_555 O   ? Y HOH .   ? A HOH 480 ? 1_555  85.1  ? 
120 O   ? Y HOH .   ? A HOH 403 ? 13_555 MG ? K MG . ? A MG 210 ? 1_555 O   ? Y HOH .   ? A HOH 480 ? 1_555  84.9  ? 
121 O   ? Y HOH .   ? A HOH 329 ? 1_555  MG ? K MG . ? A MG 210 ? 1_555 O   ? Y HOH .   ? A HOH 480 ? 13_555 85.1  ? 
122 O   ? Y HOH .   ? A HOH 403 ? 13_555 MG ? K MG . ? A MG 210 ? 1_555 O   ? Y HOH .   ? A HOH 480 ? 13_555 84.9  ? 
123 O   ? Y HOH .   ? A HOH 480 ? 1_555  MG ? K MG . ? A MG 210 ? 1_555 O   ? Y HOH .   ? A HOH 480 ? 13_555 0.0   ? 
124 O   ? Y HOH .   ? A HOH 308 ? 58_454 MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 313 ? 1_555  57.5  ? 
125 O   ? Y HOH .   ? A HOH 308 ? 58_454 MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 354 ? 58_454 52.2  ? 
126 O   ? Y HOH .   ? A HOH 313 ? 1_555  MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 354 ? 58_454 76.1  ? 
127 O   ? Y HOH .   ? A HOH 308 ? 58_454 MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 367 ? 1_555  136.9 ? 
128 O   ? Y HOH .   ? A HOH 313 ? 1_555  MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 367 ? 1_555  91.9  ? 
129 O   ? Y HOH .   ? A HOH 354 ? 58_454 MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 367 ? 1_555  155.6 ? 
130 O   ? Y HOH .   ? A HOH 308 ? 58_454 MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 434 ? 58_454 55.7  ? 
131 O   ? Y HOH .   ? A HOH 313 ? 1_555  MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 434 ? 58_454 93.6  ? 
132 O   ? Y HOH .   ? A HOH 354 ? 58_454 MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 434 ? 58_454 99.2  ? 
133 O   ? Y HOH .   ? A HOH 367 ? 1_555  MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 434 ? 58_454 102.7 ? 
134 O   ? Y HOH .   ? A HOH 308 ? 58_454 MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 438 ? 58_454 137.1 ? 
135 O   ? Y HOH .   ? A HOH 313 ? 1_555  MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 438 ? 58_454 135.0 ? 
136 O   ? Y HOH .   ? A HOH 354 ? 58_454 MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 438 ? 58_454 87.9  ? 
137 O   ? Y HOH .   ? A HOH 367 ? 1_555  MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 438 ? 58_454 85.9  ? 
138 O   ? Y HOH .   ? A HOH 434 ? 58_454 MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 438 ? 58_454 130.7 ? 
139 O   ? Y HOH .   ? A HOH 308 ? 58_454 MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 466 ? 58_454 99.2  ? 
140 O   ? Y HOH .   ? A HOH 313 ? 1_555  MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 466 ? 58_454 69.2  ? 
141 O   ? Y HOH .   ? A HOH 354 ? 58_454 MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 466 ? 58_454 59.8  ? 
142 O   ? Y HOH .   ? A HOH 367 ? 1_555  MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 466 ? 58_454 96.3  ? 
143 O   ? Y HOH .   ? A HOH 434 ? 58_454 MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 466 ? 58_454 154.9 ? 
144 O   ? Y HOH .   ? A HOH 438 ? 58_454 MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 466 ? 58_454 66.4  ? 
145 O   ? Y HOH .   ? A HOH 308 ? 58_454 MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 469 ? 1_555  136.8 ? 
146 O   ? Y HOH .   ? A HOH 313 ? 1_555  MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 469 ? 1_555  86.5  ? 
147 O   ? Y HOH .   ? A HOH 354 ? 58_454 MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 469 ? 1_555  99.9  ? 
148 O   ? Y HOH .   ? A HOH 367 ? 1_555  MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 469 ? 1_555  57.7  ? 
149 O   ? Y HOH .   ? A HOH 434 ? 58_454 MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 469 ? 1_555  160.3 ? 
150 O   ? Y HOH .   ? A HOH 438 ? 58_454 MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 469 ? 1_555  54.8  ? 
151 O   ? Y HOH .   ? A HOH 466 ? 58_454 MG ? O MG . ? A MG 214 ? 1_555 O   ? Y HOH .   ? A HOH 469 ? 1_555  41.3  ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          ALA 
_struct_mon_prot_cis.label_seq_id           152 
_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           ALA 
_struct_mon_prot_cis.auth_seq_id            160 
_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    153 
_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     161 
_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       -1.69 
# 
_pdbx_entry_details.entry_id                   9EQ8 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_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 MG  A MG  206 ? ? O A HOH 306 ? ? 1.58 
2  1 O   A HOH 306 ? ? O A HOH 324 ? ? 1.85 
3  1 O   A HOH 406 ? ? O A HOH 468 ? ? 1.90 
4  1 O   A HOH 435 ? ? O A HOH 436 ? ? 1.94 
5  1 O   A HOH 354 ? ? O A HOH 430 ? ? 1.99 
6  1 O   A HOH 381 ? ? O A HOH 386 ? ? 1.99 
7  1 O   A HOH 308 ? ? O A HOH 354 ? ? 2.01 
8  1 O   A HOH 393 ? ? O A HOH 440 ? ? 2.08 
9  1 O   A HOH 313 ? ? O A HOH 426 ? ? 2.08 
10 1 CL  A CL  216 ? ? O A HOH 425 ? ? 2.13 
11 1 O   A HOH 302 ? ? O A HOH 319 ? ? 2.14 
12 1 O   A HOH 301 ? ? O A HOH 302 ? ? 2.16 
13 1 OE2 A GLU 140 ? ? O A HOH 301 ? ? 2.16 
14 1 NE2 A GLN 58  ? ? O A HOH 302 ? ? 2.17 
15 1 O   A HOH 475 ? ? O A HOH 477 ? ? 2.17 
16 1 O   A HOH 445 ? ? O A HOH 448 ? ? 2.19 
# 
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 HE2 A HIS 128 ? ? 1_555 HD22 A ASN 139 ? ? 79_445 1.30 
2 1 O   A HOH 430 ? ? 1_555 O    A HOH 441 ? ? 79_445 1.81 
3 1 O   A HOH 466 ? ? 1_555 O    A HOH 469 ? ? 79_445 1.88 
4 1 O   A HOH 308 ? ? 1_555 O    A HOH 313 ? ? 79_445 2.06 
5 1 O   A HOH 306 ? ? 1_555 O    A HOH 306 ? ? 58_454 2.12 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 VAL A 46 ? ? -128.76 -63.57 
2 1 GLU A 94 ? ? 73.29   -49.88 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A FE  203 ? D FE  . 
2 1 A MG  205 ? F MG  . 
3 1 A MG  206 ? G MG  . 
4 1 A MG  207 ? H MG  . 
5 1 A CL  221 ? V CL  . 
6 1 A CL  222 ? W CL  . 
7 1 A HOH 323 ? Y HOH . 
8 1 A HOH 480 ? Y HOH . 
9 1 A HOH 481 ? Y HOH . 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1  x,y,z            
2  x,-z,y           
3  x,z,-y           
4  z,y,-x           
5  -z,y,x           
6  -y,x,z           
7  y,-x,z           
8  z,x,y            
9  y,z,x            
10 -y,-z,x          
11 z,-x,-y          
12 -y,z,-x          
13 -z,-x,y          
14 -z,x,-y          
15 y,-z,-x          
16 x,-y,-z          
17 -x,y,-z          
18 -x,-y,z          
19 y,x,-z           
20 -y,-x,-z         
21 z,-y,x           
22 -z,-y,-x         
23 -x,z,y           
24 -x,-z,-y         
25 x,y+1/2,z+1/2    
26 x,-z+1/2,y+1/2   
27 x,z+1/2,-y+1/2   
28 z,y+1/2,-x+1/2   
29 -z,y+1/2,x+1/2   
30 -y,x+1/2,z+1/2   
31 y,-x+1/2,z+1/2   
32 z,x+1/2,y+1/2    
33 y,z+1/2,x+1/2    
34 -y,-z+1/2,x+1/2  
35 z,-x+1/2,-y+1/2  
36 -y,z+1/2,-x+1/2  
37 -z,-x+1/2,y+1/2  
38 -z,x+1/2,-y+1/2  
39 y,-z+1/2,-x+1/2  
40 x,-y+1/2,-z+1/2  
41 -x,y+1/2,-z+1/2  
42 -x,-y+1/2,z+1/2  
43 y,x+1/2,-z+1/2   
44 -y,-x+1/2,-z+1/2 
45 z,-y+1/2,x+1/2   
46 -z,-y+1/2,-x+1/2 
47 -x,z+1/2,y+1/2   
48 -x,-z+1/2,-y+1/2 
49 x+1/2,y,z+1/2    
50 x+1/2,-z,y+1/2   
51 x+1/2,z,-y+1/2   
52 z+1/2,y,-x+1/2   
53 -z+1/2,y,x+1/2   
54 -y+1/2,x,z+1/2   
55 y+1/2,-x,z+1/2   
56 z+1/2,x,y+1/2    
57 y+1/2,z,x+1/2    
58 -y+1/2,-z,x+1/2  
59 z+1/2,-x,-y+1/2  
60 -y+1/2,z,-x+1/2  
61 -z+1/2,-x,y+1/2  
62 -z+1/2,x,-y+1/2  
63 y+1/2,-z,-x+1/2  
64 x+1/2,-y,-z+1/2  
65 -x+1/2,y,-z+1/2  
66 -x+1/2,-y,z+1/2  
67 y+1/2,x,-z+1/2   
68 -y+1/2,-x,-z+1/2 
69 z+1/2,-y,x+1/2   
70 -z+1/2,-y,-x+1/2 
71 -x+1/2,z,y+1/2   
72 -x+1/2,-z,-y+1/2 
73 x+1/2,y+1/2,z    
74 x+1/2,-z+1/2,y   
75 x+1/2,z+1/2,-y   
76 z+1/2,y+1/2,-x   
77 -z+1/2,y+1/2,x   
78 -y+1/2,x+1/2,z   
79 y+1/2,-x+1/2,z   
80 z+1/2,x+1/2,y    
81 y+1/2,z+1/2,x    
82 -y+1/2,-z+1/2,x  
83 z+1/2,-x+1/2,-y  
84 -y+1/2,z+1/2,-x  
85 -z+1/2,-x+1/2,y  
86 -z+1/2,x+1/2,-y  
87 y+1/2,-z+1/2,-x  
88 x+1/2,-y+1/2,-z  
89 -x+1/2,y+1/2,-z  
90 -x+1/2,-y+1/2,z  
91 y+1/2,x+1/2,-z   
92 -y+1/2,-x+1/2,-z 
93 z+1/2,-y+1/2,x   
94 -z+1/2,-y+1/2,-x 
95 -x+1/2,z+1/2,y   
96 -x+1/2,-z+1/2,-y 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 A MET 9   ? A MET 1   
2 1 Y 1 A GLU 178 ? A GLU 170 
3 1 Y 1 A ASN 179 ? A ASN 171 
4 1 Y 1 A LYS 180 ? A LYS 172 
5 1 Y 1 A GLN 181 ? A GLN 173 
6 1 Y 1 A ASN 182 ? A ASN 174 
# 
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  
CL  CL   CL N N 74  
CYS N    N  N N 75  
CYS CA   C  N R 76  
CYS C    C  N N 77  
CYS O    O  N N 78  
CYS CB   C  N N 79  
CYS SG   S  N N 80  
CYS OXT  O  N N 81  
CYS H    H  N N 82  
CYS H2   H  N N 83  
CYS HA   H  N N 84  
CYS HB2  H  N N 85  
CYS HB3  H  N N 86  
CYS HG   H  N N 87  
CYS HXT  H  N N 88  
FE  FE   FE N N 89  
GLN N    N  N N 90  
GLN CA   C  N S 91  
GLN C    C  N N 92  
GLN O    O  N N 93  
GLN CB   C  N N 94  
GLN CG   C  N N 95  
GLN CD   C  N N 96  
GLN OE1  O  N N 97  
GLN NE2  N  N N 98  
GLN OXT  O  N N 99  
GLN H    H  N N 100 
GLN H2   H  N N 101 
GLN HA   H  N N 102 
GLN HB2  H  N N 103 
GLN HB3  H  N N 104 
GLN HG2  H  N N 105 
GLN HG3  H  N N 106 
GLN HE21 H  N N 107 
GLN HE22 H  N N 108 
GLN HXT  H  N N 109 
GLU N    N  N N 110 
GLU CA   C  N S 111 
GLU C    C  N N 112 
GLU O    O  N N 113 
GLU CB   C  N N 114 
GLU CG   C  N N 115 
GLU CD   C  N N 116 
GLU OE1  O  N N 117 
GLU OE2  O  N N 118 
GLU OXT  O  N N 119 
GLU H    H  N N 120 
GLU H2   H  N N 121 
GLU HA   H  N N 122 
GLU HB2  H  N N 123 
GLU HB3  H  N N 124 
GLU HG2  H  N N 125 
GLU HG3  H  N N 126 
GLU HE2  H  N N 127 
GLU HXT  H  N N 128 
GLY N    N  N N 129 
GLY CA   C  N N 130 
GLY C    C  N N 131 
GLY O    O  N N 132 
GLY OXT  O  N N 133 
GLY H    H  N N 134 
GLY H2   H  N N 135 
GLY HA2  H  N N 136 
GLY HA3  H  N N 137 
GLY HXT  H  N N 138 
HIS N    N  N N 139 
HIS CA   C  N S 140 
HIS C    C  N N 141 
HIS O    O  N N 142 
HIS CB   C  N N 143 
HIS CG   C  Y N 144 
HIS ND1  N  Y N 145 
HIS CD2  C  Y N 146 
HIS CE1  C  Y N 147 
HIS NE2  N  Y N 148 
HIS OXT  O  N N 149 
HIS H    H  N N 150 
HIS H2   H  N N 151 
HIS HA   H  N N 152 
HIS HB2  H  N N 153 
HIS HB3  H  N N 154 
HIS HD1  H  N N 155 
HIS HD2  H  N N 156 
HIS HE1  H  N N 157 
HIS HE2  H  N N 158 
HIS HXT  H  N N 159 
HOH O    O  N N 160 
HOH H1   H  N N 161 
HOH H2   H  N N 162 
ILE N    N  N N 163 
ILE CA   C  N S 164 
ILE C    C  N N 165 
ILE O    O  N N 166 
ILE CB   C  N S 167 
ILE CG1  C  N N 168 
ILE CG2  C  N N 169 
ILE CD1  C  N N 170 
ILE OXT  O  N N 171 
ILE H    H  N N 172 
ILE H2   H  N N 173 
ILE HA   H  N N 174 
ILE HB   H  N N 175 
ILE HG12 H  N N 176 
ILE HG13 H  N N 177 
ILE HG21 H  N N 178 
ILE HG22 H  N N 179 
ILE HG23 H  N N 180 
ILE HD11 H  N N 181 
ILE HD12 H  N N 182 
ILE HD13 H  N N 183 
ILE HXT  H  N N 184 
LEU N    N  N N 185 
LEU CA   C  N S 186 
LEU C    C  N N 187 
LEU O    O  N N 188 
LEU CB   C  N N 189 
LEU CG   C  N N 190 
LEU CD1  C  N N 191 
LEU CD2  C  N N 192 
LEU OXT  O  N N 193 
LEU H    H  N N 194 
LEU H2   H  N N 195 
LEU HA   H  N N 196 
LEU HB2  H  N N 197 
LEU HB3  H  N N 198 
LEU HG   H  N N 199 
LEU HD11 H  N N 200 
LEU HD12 H  N N 201 
LEU HD13 H  N N 202 
LEU HD21 H  N N 203 
LEU HD22 H  N N 204 
LEU HD23 H  N N 205 
LEU HXT  H  N N 206 
LYS N    N  N N 207 
LYS CA   C  N S 208 
LYS C    C  N N 209 
LYS O    O  N N 210 
LYS CB   C  N N 211 
LYS CG   C  N N 212 
LYS CD   C  N N 213 
LYS CE   C  N N 214 
LYS NZ   N  N N 215 
LYS OXT  O  N N 216 
LYS H    H  N N 217 
LYS H2   H  N N 218 
LYS HA   H  N N 219 
LYS HB2  H  N N 220 
LYS HB3  H  N N 221 
LYS HG2  H  N N 222 
LYS HG3  H  N N 223 
LYS HD2  H  N N 224 
LYS HD3  H  N N 225 
LYS HE2  H  N N 226 
LYS HE3  H  N N 227 
LYS HZ1  H  N N 228 
LYS HZ2  H  N N 229 
LYS HZ3  H  N N 230 
LYS HXT  H  N N 231 
MET N    N  N N 232 
MET CA   C  N S 233 
MET C    C  N N 234 
MET O    O  N N 235 
MET CB   C  N N 236 
MET CG   C  N N 237 
MET SD   S  N N 238 
MET CE   C  N N 239 
MET OXT  O  N N 240 
MET H    H  N N 241 
MET H2   H  N N 242 
MET HA   H  N N 243 
MET HB2  H  N N 244 
MET HB3  H  N N 245 
MET HG2  H  N N 246 
MET HG3  H  N N 247 
MET HE1  H  N N 248 
MET HE2  H  N N 249 
MET HE3  H  N N 250 
MET HXT  H  N N 251 
MG  MG   MG N N 252 
PEO O1   O  N N 253 
PEO O2   O  N N 254 
PEO HO1  H  N N 255 
PEO HO2  H  N N 256 
PHE N    N  N N 257 
PHE CA   C  N S 258 
PHE C    C  N N 259 
PHE O    O  N N 260 
PHE CB   C  N N 261 
PHE CG   C  Y N 262 
PHE CD1  C  Y N 263 
PHE CD2  C  Y N 264 
PHE CE1  C  Y N 265 
PHE CE2  C  Y N 266 
PHE CZ   C  Y N 267 
PHE OXT  O  N N 268 
PHE H    H  N N 269 
PHE H2   H  N N 270 
PHE HA   H  N N 271 
PHE HB2  H  N N 272 
PHE HB3  H  N N 273 
PHE HD1  H  N N 274 
PHE HD2  H  N N 275 
PHE HE1  H  N N 276 
PHE HE2  H  N N 277 
PHE HZ   H  N N 278 
PHE HXT  H  N N 279 
PRO N    N  N N 280 
PRO CA   C  N S 281 
PRO C    C  N N 282 
PRO O    O  N N 283 
PRO CB   C  N N 284 
PRO CG   C  N N 285 
PRO CD   C  N N 286 
PRO OXT  O  N N 287 
PRO H    H  N N 288 
PRO HA   H  N N 289 
PRO HB2  H  N N 290 
PRO HB3  H  N N 291 
PRO HG2  H  N N 292 
PRO HG3  H  N N 293 
PRO HD2  H  N N 294 
PRO HD3  H  N N 295 
PRO HXT  H  N N 296 
SER N    N  N N 297 
SER CA   C  N S 298 
SER C    C  N N 299 
SER O    O  N N 300 
SER CB   C  N N 301 
SER OG   O  N N 302 
SER OXT  O  N N 303 
SER H    H  N N 304 
SER H2   H  N N 305 
SER HA   H  N N 306 
SER HB2  H  N N 307 
SER HB3  H  N N 308 
SER HG   H  N N 309 
SER HXT  H  N N 310 
THR N    N  N N 311 
THR CA   C  N S 312 
THR C    C  N N 313 
THR O    O  N N 314 
THR CB   C  N R 315 
THR OG1  O  N N 316 
THR CG2  C  N N 317 
THR OXT  O  N N 318 
THR H    H  N N 319 
THR H2   H  N N 320 
THR HA   H  N N 321 
THR HB   H  N N 322 
THR HG1  H  N N 323 
THR HG21 H  N N 324 
THR HG22 H  N N 325 
THR HG23 H  N N 326 
THR HXT  H  N N 327 
TRP N    N  N N 328 
TRP CA   C  N S 329 
TRP C    C  N N 330 
TRP O    O  N N 331 
TRP CB   C  N N 332 
TRP CG   C  Y N 333 
TRP CD1  C  Y N 334 
TRP CD2  C  Y N 335 
TRP NE1  N  Y N 336 
TRP CE2  C  Y N 337 
TRP CE3  C  Y N 338 
TRP CZ2  C  Y N 339 
TRP CZ3  C  Y N 340 
TRP CH2  C  Y N 341 
TRP OXT  O  N N 342 
TRP H    H  N N 343 
TRP H2   H  N N 344 
TRP HA   H  N N 345 
TRP HB2  H  N N 346 
TRP HB3  H  N N 347 
TRP HD1  H  N N 348 
TRP HE1  H  N N 349 
TRP HE3  H  N N 350 
TRP HZ2  H  N N 351 
TRP HZ3  H  N N 352 
TRP HH2  H  N N 353 
TRP HXT  H  N N 354 
TYR N    N  N N 355 
TYR CA   C  N S 356 
TYR C    C  N N 357 
TYR O    O  N N 358 
TYR CB   C  N N 359 
TYR CG   C  Y N 360 
TYR CD1  C  Y N 361 
TYR CD2  C  Y N 362 
TYR CE1  C  Y N 363 
TYR CE2  C  Y N 364 
TYR CZ   C  Y N 365 
TYR OH   O  N N 366 
TYR OXT  O  N N 367 
TYR H    H  N N 368 
TYR H2   H  N N 369 
TYR HA   H  N N 370 
TYR HB2  H  N N 371 
TYR HB3  H  N N 372 
TYR HD1  H  N N 373 
TYR HD2  H  N N 374 
TYR HE1  H  N N 375 
TYR HE2  H  N N 376 
TYR HH   H  N N 377 
TYR HXT  H  N N 378 
VAL N    N  N N 379 
VAL CA   C  N S 380 
VAL C    C  N N 381 
VAL O    O  N N 382 
VAL CB   C  N N 383 
VAL CG1  C  N N 384 
VAL CG2  C  N N 385 
VAL OXT  O  N N 386 
VAL H    H  N N 387 
VAL H2   H  N N 388 
VAL HA   H  N N 389 
VAL HB   H  N N 390 
VAL HG11 H  N N 391 
VAL HG12 H  N N 392 
VAL HG13 H  N N 393 
VAL HG21 H  N N 394 
VAL HG22 H  N N 395 
VAL HG23 H  N N 396 
VAL HXT  H  N N 397 
# 
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  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
PEO O1  O2   sing N N 237 
PEO O1  HO1  sing N N 238 
PEO O2  HO2  sing N N 239 
PHE N   CA   sing N N 240 
PHE N   H    sing N N 241 
PHE N   H2   sing N N 242 
PHE CA  C    sing N N 243 
PHE CA  CB   sing N N 244 
PHE CA  HA   sing N N 245 
PHE C   O    doub N N 246 
PHE C   OXT  sing N N 247 
PHE CB  CG   sing N N 248 
PHE CB  HB2  sing N N 249 
PHE CB  HB3  sing N N 250 
PHE CG  CD1  doub Y N 251 
PHE CG  CD2  sing Y N 252 
PHE CD1 CE1  sing Y N 253 
PHE CD1 HD1  sing N N 254 
PHE CD2 CE2  doub Y N 255 
PHE CD2 HD2  sing N N 256 
PHE CE1 CZ   doub Y N 257 
PHE CE1 HE1  sing N N 258 
PHE CE2 CZ   sing Y N 259 
PHE CE2 HE2  sing N N 260 
PHE CZ  HZ   sing N N 261 
PHE OXT HXT  sing N N 262 
PRO N   CA   sing N N 263 
PRO N   CD   sing N N 264 
PRO N   H    sing N N 265 
PRO CA  C    sing N N 266 
PRO CA  CB   sing N N 267 
PRO CA  HA   sing N N 268 
PRO C   O    doub N N 269 
PRO C   OXT  sing N N 270 
PRO CB  CG   sing N N 271 
PRO CB  HB2  sing N N 272 
PRO CB  HB3  sing N N 273 
PRO CG  CD   sing N N 274 
PRO CG  HG2  sing N N 275 
PRO CG  HG3  sing N N 276 
PRO CD  HD2  sing N N 277 
PRO CD  HD3  sing N N 278 
PRO OXT HXT  sing N N 279 
SER N   CA   sing N N 280 
SER N   H    sing N N 281 
SER N   H2   sing N N 282 
SER CA  C    sing N N 283 
SER CA  CB   sing N N 284 
SER CA  HA   sing N N 285 
SER C   O    doub N N 286 
SER C   OXT  sing N N 287 
SER CB  OG   sing N N 288 
SER CB  HB2  sing N N 289 
SER CB  HB3  sing N N 290 
SER OG  HG   sing N N 291 
SER OXT HXT  sing N N 292 
THR N   CA   sing N N 293 
THR N   H    sing N N 294 
THR N   H2   sing N N 295 
THR CA  C    sing N N 296 
THR CA  CB   sing N N 297 
THR CA  HA   sing N N 298 
THR C   O    doub N N 299 
THR C   OXT  sing N N 300 
THR CB  OG1  sing N N 301 
THR CB  CG2  sing N N 302 
THR CB  HB   sing N N 303 
THR OG1 HG1  sing N N 304 
THR CG2 HG21 sing N N 305 
THR CG2 HG22 sing N N 306 
THR CG2 HG23 sing N N 307 
THR OXT HXT  sing N N 308 
TRP N   CA   sing N N 309 
TRP N   H    sing N N 310 
TRP N   H2   sing N N 311 
TRP CA  C    sing N N 312 
TRP CA  CB   sing N N 313 
TRP CA  HA   sing N N 314 
TRP C   O    doub N N 315 
TRP C   OXT  sing N N 316 
TRP CB  CG   sing N N 317 
TRP CB  HB2  sing N N 318 
TRP CB  HB3  sing N N 319 
TRP CG  CD1  doub Y N 320 
TRP CG  CD2  sing Y N 321 
TRP CD1 NE1  sing Y N 322 
TRP CD1 HD1  sing N N 323 
TRP CD2 CE2  doub Y N 324 
TRP CD2 CE3  sing Y N 325 
TRP NE1 CE2  sing Y N 326 
TRP NE1 HE1  sing N N 327 
TRP CE2 CZ2  sing Y N 328 
TRP CE3 CZ3  doub Y N 329 
TRP CE3 HE3  sing N N 330 
TRP CZ2 CH2  doub Y N 331 
TRP CZ2 HZ2  sing N N 332 
TRP CZ3 CH2  sing Y N 333 
TRP CZ3 HZ3  sing N N 334 
TRP CH2 HH2  sing N N 335 
TRP OXT HXT  sing N N 336 
TYR N   CA   sing N N 337 
TYR N   H    sing N N 338 
TYR N   H2   sing N N 339 
TYR CA  C    sing N N 340 
TYR CA  CB   sing N N 341 
TYR CA  HA   sing N N 342 
TYR C   O    doub N N 343 
TYR C   OXT  sing N N 344 
TYR CB  CG   sing N N 345 
TYR CB  HB2  sing N N 346 
TYR CB  HB3  sing N N 347 
TYR CG  CD1  doub Y N 348 
TYR CG  CD2  sing Y N 349 
TYR CD1 CE1  sing Y N 350 
TYR CD1 HD1  sing N N 351 
TYR CD2 CE2  doub Y N 352 
TYR CD2 HD2  sing N N 353 
TYR CE1 CZ   doub Y N 354 
TYR CE1 HE1  sing N N 355 
TYR CE2 CZ   sing Y N 356 
TYR CE2 HE2  sing N N 357 
TYR CZ  OH   sing N N 358 
TYR OH  HH   sing N N 359 
TYR OXT HXT  sing N N 360 
VAL N   CA   sing N N 361 
VAL N   H    sing N N 362 
VAL N   H2   sing N N 363 
VAL CA  C    sing N N 364 
VAL CA  CB   sing N N 365 
VAL CA  HA   sing N N 366 
VAL C   O    doub N N 367 
VAL C   OXT  sing N N 368 
VAL CB  CG1  sing N N 369 
VAL CB  CG2  sing N N 370 
VAL CB  HB   sing N N 371 
VAL CG1 HG11 sing N N 372 
VAL CG1 HG12 sing N N 373 
VAL CG1 HG13 sing N N 374 
VAL CG2 HG21 sing N N 375 
VAL CG2 HG22 sing N N 376 
VAL CG2 HG23 sing N N 377 
VAL OXT HXT  sing N N 378 
# 
_pdbx_audit_support.funding_organization   'Biotechnology and Biological Sciences Research Council (BBSRC)' 
_pdbx_audit_support.country                'United Kingdom' 
_pdbx_audit_support.grant_number           BB/R002363/1 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   1R03 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'F 4 3 2' 
_space_group.name_Hall        'F 4 2 3' 
_space_group.IT_number        209 
_space_group.crystal_system   cubic 
_space_group.id               1 
# 
_atom_sites.entry_id                    9EQ8 
_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]   0.005471 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.005471 
_atom_sites.fract_transf_matrix[2][3]   0.000000 
_atom_sites.fract_transf_matrix[3][1]   0.000000 
_atom_sites.fract_transf_matrix[3][2]   0.000000 
_atom_sites.fract_transf_matrix[3][3]   0.005471 
_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.
;
? 
CL   ? ? ?        ?        ? ? ?        ?        ? ? ?   ? ? 
CL1- ? ? 10.45091 7.48833  ? ? 1.54457  31.67128 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
FE   ? ? ?        ?        ? ? ?        ?        ? ? ?   ? ? 
FE2+ ? ? 13.07692 10.88173 ? ? 0.92376  9.04641  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
FE3+ ? ? 12.40907 10.54330 ? ? 6.86442  0.52129  ? ? 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.
;
? 
MG   ? ? ?        ?        ? ? ?        ?        ? ? ?   ? ? 
MG2+ ? ? 9.95820  ?        ? ? 3.10187  ?        ? ? 0.0 
;1-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    . GLN A 1 2   ? -68.00751 -47.92271 -24.22789 1.000 47.02845  ?  10  GLN A N    1 
ATOM   2    C  CA   . GLN A 1 2   ? -67.91004 -47.53569 -25.62980 1.000 45.47956  ?  10  GLN A CA   1 
ATOM   3    C  C    . GLN A 1 2   ? -66.71871 -46.62511 -25.90100 1.000 44.07151  ?  10  GLN A C    1 
ATOM   4    O  O    . GLN A 1 2   ? -66.58113 -45.54391 -25.30133 1.000 43.23410  ?  10  GLN A O    1 
ATOM   5    C  CB   . GLN A 1 2   ? -69.18085 -46.80701 -26.09144 1.000 43.68572  ?  10  GLN A CB   1 
ATOM   6    C  CG   . GLN A 1 2   ? -69.94239 -47.46042 -27.23438 1.000 41.39193  ?  10  GLN A CG   1 
ATOM   7    C  CD   . GLN A 1 2   ? -71.17261 -46.65451 -27.67724 1.000 36.69676  ?  10  GLN A CD   1 
ATOM   8    O  OE1  . GLN A 1 2   ? -71.75862 -45.90525 -26.90590 1.000 31.56902  ?  10  GLN A OE1  1 
ATOM   9    N  NE2  . GLN A 1 2   ? -71.56351 -46.81396 -28.93944 1.000 38.10680  ?  10  GLN A NE2  1 
ATOM   10   H  HA   . GLN A 1 2   ? -67.79926 -48.35258 -26.14101 1.000 54.59859  ?  10  GLN A HA   1 
ATOM   11   H  HB2  . GLN A 1 2   ? -69.78849 -46.74927 -25.33756 1.000 52.44598  ?  10  GLN A HB2  1 
ATOM   12   H  HB3  . GLN A 1 2   ? -68.93077 -45.91693 -26.38490 1.000 52.44598  ?  10  GLN A HB3  1 
ATOM   13   H  HG2  . GLN A 1 2   ? -69.35089 -47.54618 -27.99836 1.000 49.69343  ?  10  GLN A HG2  1 
ATOM   14   H  HG3  . GLN A 1 2   ? -70.24613 -48.33664 -26.94996 1.000 49.69343  ?  10  GLN A HG3  1 
ATOM   15   H  HE21 . GLN A 1 2   ? -71.13232 -47.34651 -29.45912 1.000 45.75128  ?  10  GLN A HE21 1 
ATOM   16   H  HE22 . GLN A 1 2   ? -72.24729 -46.38445 -29.23534 1.000 45.75128  ?  10  GLN A HE22 1 
ATOM   17   N  N    . ASN A 1 3   ? -65.86366 -47.06918 -26.81853 1.000 34.99584  ?  11  ASN A N    1 
ATOM   18   C  CA   . ASN A 1 3   ? -64.76426 -46.25207 -27.31371 1.000 32.90724  ?  11  ASN A CA   1 
ATOM   19   C  C    . ASN A 1 3   ? -63.85353 -45.74962 -26.19832 1.000 30.63653  ?  11  ASN A C    1 
ATOM   20   O  O    . ASN A 1 3   ? -63.17740 -44.72809 -26.36484 1.000 30.25052  ?  11  ASN A O    1 
ATOM   21   C  CB   . ASN A 1 3   ? -65.27661 -45.05626 -28.12991 1.000 33.27280  ?  11  ASN A CB   1 
ATOM   22   C  CG   . ASN A 1 3   ? -64.20691 -44.45378 -29.01760 1.000 33.91992  ?  11  ASN A CG   1 
ATOM   23   O  OD1  . ASN A 1 3   ? -64.16370 -43.22509 -29.23023 1.000 32.29865  ?  11  ASN A OD1  1 
ATOM   24   N  ND2  . ASN A 1 3   ? -63.36712 -45.31561 -29.59453 1.000 34.31022  ?  11  ASN A ND2  1 
ATOM   25   H  H    . ASN A 1 3   ? -65.90165 -47.85163 -27.17339 1.000 42.01813  ?  11  ASN A H    1 
ATOM   26   H  HA   . ASN A 1 3   ? -64.23004 -46.82014 -27.89060 1.000 39.51181  ?  11  ASN A HA   1 
ATOM   27   H  HB2  . ASN A 1 3   ? -66.00701 -45.34972 -28.69674 1.000 39.95048  ?  11  ASN A HB2  1 
ATOM   28   H  HB3  . ASN A 1 3   ? -65.58527 -44.36680 -27.52141 1.000 39.95048  ?  11  ASN A HB3  1 
ATOM   29   H  HD21 . ASN A 1 3   ? -63.45220 -46.15950 -29.45238 1.000 41.05667  ?  11  ASN A HD21 1 
ATOM   30   H  HD22 . ASN A 1 3   ? -62.74083 -45.02712 -30.10847 1.000 41.05667  ?  11  ASN A HD22 1 
ATOM   31   N  N    . PHE A 1 4   ? -63.80262 -46.46172 -25.06556 1.000 34.97212  ?  12  PHE A N    1 
ATOM   32   C  CA   . PHE A 1 4   ? -62.94674 -46.10254 -23.93331 1.000 33.76131  ?  12  PHE A CA   1 
ATOM   33   C  C    . PHE A 1 4   ? -61.84353 -47.14794 -23.80856 1.000 33.77376  ?  12  PHE A C    1 
ATOM   34   O  O    . PHE A 1 4   ? -62.09455 -48.27017 -23.35523 1.000 35.24856  ?  12  PHE A O    1 
ATOM   35   C  CB   . PHE A 1 4   ? -63.73721 -46.05653 -22.62891 1.000 34.33677  ?  12  PHE A CB   1 
ATOM   36   C  CG   . PHE A 1 4   ? -63.07275 -45.26318 -21.51783 1.000 33.62977  ?  12  PHE A CG   1 
ATOM   37   C  CD1  . PHE A 1 4   ? -62.43935 -44.04210 -21.76750 1.000 34.29941  ?  12  PHE A CD1  1 
ATOM   38   C  CD2  . PHE A 1 4   ? -63.06681 -45.75097 -20.21764 1.000 32.73156  ?  12  PHE A CD2  1 
ATOM   39   C  CE1  . PHE A 1 4   ? -61.85257 -43.32998 -20.75036 1.000 32.77895  ?  12  PHE A CE1  1 
ATOM   40   C  CE2  . PHE A 1 4   ? -62.47667 -45.03793 -19.19850 1.000 30.10530  ?  12  PHE A CE2  1 
ATOM   41   C  CZ   . PHE A 1 4   ? -61.86634 -43.82915 -19.45722 1.000 31.69540  ?  12  PHE A CZ   1 
ATOM   42   H  H    . PHE A 1 4   ? -64.26659 -47.17287 -24.92919 1.000 41.98966  ?  12  PHE A H    1 
ATOM   43   H  HA   . PHE A 1 4   ? -62.56019 -45.23062 -24.11006 1.000 40.53670  ?  12  PHE A HA   1 
ATOM   44   H  HB2  . PHE A 1 4   ? -64.59970 -45.64887 -22.80446 1.000 41.22725  ?  12  PHE A HB2  1 
ATOM   45   H  HB3  . PHE A 1 4   ? -63.85824 -46.96413 -22.30874 1.000 41.22725  ?  12  PHE A HB3  1 
ATOM   46   H  HD1  . PHE A 1 4   ? -62.41503 -43.70728 -22.63480 1.000 41.18241  ?  12  PHE A HD1  1 
ATOM   47   H  HD2  . PHE A 1 4   ? -63.46672 -46.57003 -20.03294 1.000 39.30099  ?  12  PHE A HD2  1 
ATOM   48   H  HE1  . PHE A 1 4   ? -61.44599 -42.51288 -20.92912 1.000 39.35786  ?  12  PHE A HE1  1 
ATOM   49   H  HE2  . PHE A 1 4   ? -62.48981 -45.37336 -18.33120 1.000 36.14948  ?  12  PHE A HE2  1 
ATOM   50   H  HZ   . PHE A 1 4   ? -61.46577 -43.35091 -18.76749 1.000 38.05760  ?  12  PHE A HZ   1 
ATOM   51   N  N    . HIS A 1 5   ? -60.62701 -46.77262 -24.15604 1.000 37.37922  ?  13  HIS A N    1 
ATOM   52   C  CA   . HIS A 1 5   ? -59.57497 -47.77455 -24.24687 1.000 36.03046  ?  13  HIS A CA   1 
ATOM   53   C  C    . HIS A 1 5   ? -58.98873 -48.05577 -22.86181 1.000 34.70076  ?  13  HIS A C    1 
ATOM   54   O  O    . HIS A 1 5   ? -58.86361 -47.14360 -22.04397 1.000 31.67022  ?  13  HIS A O    1 
ATOM   55   C  CB   . HIS A 1 5   ? -58.46539 -47.27707 -25.16492 1.000 36.55094  ?  13  HIS A CB   1 
ATOM   56   C  CG   . HIS A 1 5   ? -57.52619 -48.35677 -25.59336 1.000 35.63374  ?  13  HIS A CG   1 
ATOM   57   N  ND1  . HIS A 1 5   ? -56.42052 -48.71805 -24.85513 1.000 37.60914  ?  13  HIS A ND1  1 
ATOM   58   C  CD2  . HIS A 1 5   ? -57.51919 -49.14775 -26.69297 1.000 37.44470  ?  13  HIS A CD2  1 
ATOM   59   C  CE1  . HIS A 1 5   ? -55.78682 -49.70382 -25.46643 1.000 35.89323  ?  13  HIS A CE1  1 
ATOM   60   N  NE2  . HIS A 1 5   ? -56.42502 -49.97273 -26.58994 1.000 36.76199  ?  13  HIS A NE2  1 
ATOM   61   H  H    . HIS A 1 5   ? -60.38724 -45.96749 -24.34009 1.000 44.87818  ?  13  HIS A H    1 
ATOM   62   H  HA   . HIS A 1 5   ? -59.93931 -48.60026 -24.60234 1.000 43.25967  ?  13  HIS A HA   1 
ATOM   63   H  HB2  . HIS A 1 5   ? -58.86509 -46.89576 -25.96225 1.000 43.88425  ?  13  HIS A HB2  1 
ATOM   64   H  HB3  . HIS A 1 5   ? -57.94987 -46.60179 -24.69680 1.000 43.88425  ?  13  HIS A HB3  1 
ATOM   65   H  HD2  . HIS A 1 5   ? -58.13822 -49.13491 -27.38689 1.000 44.95676  ?  13  HIS A HD2  1 
ATOM   66   H  HE1  . HIS A 1 5   ? -55.02232 -50.13414 -25.15778 1.000 43.09499  ?  13  HIS A HE1  1 
ATOM   67   H  HE2  . HIS A 1 5   ? -56.19333 -50.56856 -27.16519 1.000 44.13751  ?  13  HIS A HE2  1 
ATOM   68   N  N    . PRO A 1 6   ? -58.62741 -49.30604 -22.56813 1.000 33.87288  ?  14  PRO A N    1 
ATOM   69   C  CA   . PRO A 1 6   ? -58.03792 -49.59182 -21.24396 1.000 34.26501  ?  14  PRO A CA   1 
ATOM   70   C  C    . PRO A 1 6   ? -56.77394 -48.79411 -20.94921 1.000 30.59210  ?  14  PRO A C    1 
ATOM   71   O  O    . PRO A 1 6   ? -56.49386 -48.47715 -19.77997 1.000 28.80637  ?  14  PRO A O    1 
ATOM   72   C  CB   . PRO A 1 6   ? -57.73653 -51.09666 -21.28604 1.000 35.52944  ?  14  PRO A CB   1 
ATOM   73   C  CG   . PRO A 1 6   ? -58.46948 -51.63330 -22.45277 1.000 35.05477  ?  14  PRO A CG   1 
ATOM   74   C  CD   . PRO A 1 6   ? -58.84362 -50.51563 -23.37687 1.000 35.18769  ?  14  PRO A CD   1 
ATOM   75   H  HA   . PRO A 1 6   ? -58.70399 -49.41605 -20.56105 1.000 41.14113  ?  14  PRO A HA   1 
ATOM   76   H  HB2  . PRO A 1 6   ? -56.78181 -51.23414 -21.38849 1.000 42.65845  ?  14  PRO A HB2  1 
ATOM   77   H  HB3  . PRO A 1 6   ? -58.04559 -51.51304 -20.46628 1.000 42.65845  ?  14  PRO A HB3  1 
ATOM   78   H  HG2  . PRO A 1 6   ? -57.89682 -52.26471 -22.91567 1.000 42.08884  ?  14  PRO A HG2  1 
ATOM   79   H  HG3  . PRO A 1 6   ? -59.27014 -52.08098 -22.13744 1.000 42.08884  ?  14  PRO A HG3  1 
ATOM   80   H  HD2  . PRO A 1 6   ? -58.27177 -50.51173 -24.16037 1.000 42.24835  ?  14  PRO A HD2  1 
ATOM   81   H  HD3  . PRO A 1 6   ? -59.77305 -50.58805 -23.64487 1.000 42.24835  ?  14  PRO A HD3  1 
ATOM   82   N  N    . ASP A 1 7   ? -55.97931 -48.47792 -21.97790 1.000 30.97371  ?  15  ASP A N    1 
ATOM   83   C  CA   . ASP A 1 7   ? -54.82925 -47.60532 -21.75823 1.000 30.06075  ?  15  ASP A CA   1 
ATOM   84   C  C    . ASP A 1 7   ? -55.27920 -46.23445 -21.28311 1.000 27.71323  ?  15  ASP A C    1 
ATOM   85   O  O    . ASP A 1 7   ? -54.58877 -45.59345 -20.48797 1.000 26.69555  ?  15  ASP A O    1 
ATOM   86   C  CB   . ASP A 1 7   ? -54.02333 -47.44104 -23.04386 1.000 32.18189  ?  15  ASP A CB   1 
ATOM   87   C  CG   . ASP A 1 7   ? -53.29327 -48.69636 -23.44116 1.000 38.07247  ?  15  ASP A CG   1 
ATOM   88   O  OD1  . ASP A 1 7   ? -53.36908 -49.70322 -22.70175 1.000 39.44330  ?  15  ASP A OD1  1 
ATOM   89   O  OD2  . ASP A 1 7   ? -52.65135 -48.68079 -24.51568 1.000 38.21732  ?  15  ASP A OD2  1 
ATOM   90   H  H    . ASP A 1 7   ? -56.08321 -48.74861 -22.78755 1.000 37.19157  ?  15  ASP A H    1 
ATOM   91   H  HA   . ASP A 1 7   ? -54.26198 -48.01621 -21.08721 1.000 36.09602  ?  15  ASP A HA   1 
ATOM   92   H  HB2  . ASP A 1 7   ? -54.62590 -47.20376 -23.76602 1.000 38.64138  ?  15  ASP A HB2  1 
ATOM   93   H  HB3  . ASP A 1 7   ? -53.36554 -46.73960 -22.91662 1.000 38.64138  ?  15  ASP A HB3  1 
ATOM   94   N  N    . SER A 1 8   ? -56.41748 -45.75273 -21.80051 1.000 27.64086  ?  16  SER A N    1 
ATOM   95   C  CA   . SER A 1 8   ? -56.94945 -44.45820 -21.39293 1.000 25.90902  ?  16  SER A CA   1 
ATOM   96   C  C    . SER A 1 8   ? -57.45057 -44.51051 -19.96121 1.000 23.97632  ?  16  SER A C    1 
ATOM   97   O  O    . SER A 1 8   ? -57.18788 -43.59607 -19.19349 1.000 21.51140  ?  16  SER A O    1 
ATOM   98   C  CB   . SER A 1 8   ? -58.09180 -44.05296 -22.32482 1.000 28.74893  ?  16  SER A CB   1 
ATOM   99   O  OG   . SER A 1 8   ? -57.58897 -43.80998 -23.62577 1.000 29.26905  ?  16  SER A OG   1 
ATOM   100  H  H    . SER A 1 8   ? -56.89657 -46.15885 -22.38800 1.000 33.19215  ?  16  SER A H    1 
ATOM   101  H  HA   . SER A 1 8   ? -56.24653 -43.79270 -21.45547 1.000 31.11394  ?  16  SER A HA   1 
ATOM   102  H  HB2  . SER A 1 8   ? -58.74310 -44.77077 -22.36286 1.000 34.52184  ?  16  SER A HB2  1 
ATOM   103  H  HB3  . SER A 1 8   ? -58.50828 -43.24465 -21.98707 1.000 34.52184  ?  16  SER A HB3  1 
ATOM   104  H  HG   . SER A 1 8   ? -58.21841 -43.60771 -24.14393 1.000 35.14598  ?  16  SER A HG   1 
ATOM   105  N  N    . GLU A 1 9   ? -58.16773 -45.57178 -19.59137 1.000 22.02248  ?  17  GLU A N    1 
ATOM   106  C  CA   . GLU A 1 9   ? -58.59428 -45.77702 -18.20772 1.000 24.57765  ?  17  GLU A CA   1 
ATOM   107  C  C    . GLU A 1 9   ? -57.41991 -45.70462 -17.24200 1.000 20.91103  ?  17  GLU A C    1 
ATOM   108  O  O    . GLU A 1 9   ? -57.47987 -45.02085 -16.21185 1.000 20.25772  ?  17  GLU A O    1 
ATOM   109  C  CB   . GLU A 1 9   ? -59.30466 -47.13118 -18.13100 1.000 28.28502  ?  17  GLU A CB   1 
ATOM   110  C  CG   . GLU A 1 9   ? -59.82719 -47.48699 -16.76652 1.000 29.66009  ?  17  GLU A CG   1 
ATOM   111  C  CD   . GLU A 1 9   ? -60.29956 -48.93690 -16.67547 1.000 32.81918  ?  17  GLU A CD   1 
ATOM   112  O  OE1  . GLU A 1 9   ? -59.46228 -49.85911 -16.81800 1.000 37.43707  ?  17  GLU A OE1  1 
ATOM   113  O  OE2  . GLU A 1 9   ? -61.48066 -49.14668 -16.38355 1.000 33.31198  ?  17  GLU A OE2  1 
ATOM   114  H  H    . GLU A 1 9   ? -58.42324 -46.19419 -20.12703 1.000 26.45010  ?  17  GLU A H    1 
ATOM   115  H  HA   . GLU A 1 9   ? -59.21243 -45.07921 -17.93966 1.000 29.51630  ?  17  GLU A HA   1 
ATOM   116  H  HB2  . GLU A 1 9   ? -60.06001 -47.11832 -18.73942 1.000 33.96514  ?  17  GLU A HB2  1 
ATOM   117  H  HB3  . GLU A 1 9   ? -58.67838 -47.82355 -18.39423 1.000 33.96514  ?  17  GLU A HB3  1 
ATOM   118  H  HG2  . GLU A 1 9   ? -59.12056 -47.36003 -16.11424 1.000 35.61522  ?  17  GLU A HG2  1 
ATOM   119  H  HG3  . GLU A 1 9   ? -60.57986 -46.91236 -16.55634 1.000 35.61522  ?  17  GLU A HG3  1 
ATOM   120  N  N    . ALA A 1 10  ? -56.33088 -46.39790 -17.56783 1.000 21.32709  ?  18  ALA A N    1 
ATOM   121  C  CA   . ALA A 1 10  ? -55.18340 -46.40124 -16.67777 1.000 20.27825  ?  18  ALA A CA   1 
ATOM   122  C  C    . ALA A 1 10  ? -54.53524 -45.02891 -16.60446 1.000 20.74297  ?  18  ALA A C    1 
ATOM   123  O  O    . ALA A 1 10  ? -54.10695 -44.59366 -15.52880 1.000 20.24402  ?  18  ALA A O    1 
ATOM   124  C  CB   . ALA A 1 10  ? -54.15739 -47.40337 -17.18193 1.000 21.64052  ?  18  ALA A CB   1 
ATOM   125  H  H    . ALA A 1 10  ? -56.23607 -46.86396 -18.28435 1.000 25.61563  ?  18  ALA A H    1 
ATOM   126  H  HA   . ALA A 1 10  ? -55.48123 -46.65549 -15.79032 1.000 24.35702  ?  18  ALA A HA   1 
ATOM   127  H  HB1  . ALA A 1 10  ? -53.39188 -47.39839 -16.58621 1.000 25.99175  ?  18  ALA A HB1  1 
ATOM   128  H  HB2  . ALA A 1 10  ? -54.55909 -48.28615 -17.19697 1.000 25.99175  ?  18  ALA A HB2  1 
ATOM   129  H  HB3  . ALA A 1 10  ? -53.88178 -47.15007 -18.07679 1.000 25.99175  ?  18  ALA A HB3  1 
ATOM   130  N  N    . ALA A 1 11  ? -54.43558 -44.33894 -17.74017 1.000 20.77007  ?  19  ALA A N    1 
ATOM   131  C  CA   . ALA A 1 11  ? -53.80033 -43.03008 -17.74171 1.000 19.42884  ?  19  ALA A CA   1 
ATOM   132  C  C    . ALA A 1 11  ? -54.63208 -42.01367 -16.97607 1.000 18.47868  ?  19  ALA A C    1 
ATOM   133  O  O    . ALA A 1 11  ? -54.08064 -41.11670 -16.34206 1.000 19.07019  ?  19  ALA A O    1 
ATOM   134  C  CB   . ALA A 1 11  ? -53.57778 -42.55497 -19.17183 1.000 21.87744  ?  19  ALA A CB   1 
ATOM   135  H  H    . ALA A 1 11  ? -54.72269 -44.60306 -18.50660 1.000 24.94720  ?  19  ALA A H    1 
ATOM   136  H  HA   . ALA A 1 11  ? -52.93548 -43.10640 -17.30915 1.000 23.33773  ?  19  ALA A HA   1 
ATOM   137  H  HB1  . ALA A 1 11  ? -53.06554 -41.73143 -19.15490 1.000 26.27605  ?  19  ALA A HB1  1 
ATOM   138  H  HB2  . ALA A 1 11  ? -53.09055 -43.23761 -19.65917 1.000 26.27605  ?  19  ALA A HB2  1 
ATOM   139  H  HB3  . ALA A 1 11  ? -54.43884 -42.40038 -19.59085 1.000 26.27605  ?  19  ALA A HB3  1 
ATOM   140  N  N    . ILE A 1 12  ? -55.95935 -42.13272 -17.03144 1.000 17.27374  ?  20  ILE A N    1 
ATOM   141  C  CA   . ILE A 1 12  ? -56.81335 -41.26600 -16.23017 1.000 18.18579  ?  20  ILE A CA   1 
ATOM   142  C  C    . ILE A 1 12  ? -56.55556 -41.51843 -14.75448 1.000 17.22949  ?  20  ILE A C    1 
ATOM   143  O  O    . ILE A 1 12  ? -56.48402 -40.58141 -13.95280 1.000 15.99346  ?  20  ILE A O    1 
ATOM   144  C  CB   . ILE A 1 12  ? -58.29195 -41.46405 -16.60994 1.000 16.95842  ?  20  ILE A CB   1 
ATOM   145  C  CG1  . ILE A 1 12  ? -58.57117 -40.85980 -17.99788 1.000 20.77801  ?  20  ILE A CG1  1 
ATOM   146  C  CG2  . ILE A 1 12  ? -59.21522 -40.78566 -15.61644 1.000 17.12653  ?  20  ILE A CG2  1 
ATOM   147  C  CD1  . ILE A 1 12  ? -59.77547 -41.43201 -18.69527 1.000 22.20163  ?  20  ILE A CD1  1 
ATOM   148  H  H    . ILE A 1 12  ? -56.38261 -42.70062 -17.51923 1.000 20.75161  ?  20  ILE A H    1 
ATOM   149  H  HA   . ILE A 1 12  ? -56.59448 -40.33997 -16.41853 1.000 21.84606  ?  20  ILE A HA   1 
ATOM   150  H  HB   . ILE A 1 12  ? -58.45695 -42.41991 -16.61030 1.000 20.37322  ?  20  ILE A HB   1 
ATOM   151  H  HG12 . ILE A 1 12  ? -58.71684 -39.90619 -17.89635 1.000 24.95673  ?  20  ILE A HG12 1 
ATOM   152  H  HG13 . ILE A 1 12  ? -57.80069 -41.01917 -18.56520 1.000 24.95673  ?  20  ILE A HG13 1 
ATOM   153  H  HG21 . ILE A 1 12  ? -60.10338 -40.72448 -16.00156 1.000 20.57496  ?  20  ILE A HG21 1 
ATOM   154  H  HG22 . ILE A 1 12  ? -59.24345 -41.31132 -14.80171 1.000 20.57496  ?  20  ILE A HG22 1 
ATOM   155  H  HG23 . ILE A 1 12  ? -58.87562 -39.89737 -15.42537 1.000 20.57496  ?  20  ILE A HG23 1 
ATOM   156  H  HD11 . ILE A 1 12  ? -59.96056 -40.90577 -19.48881 1.000 26.66508  ?  20  ILE A HD11 1 
ATOM   157  H  HD12 . ILE A 1 12  ? -59.58948 -42.35101 -18.94377 1.000 26.66508  ?  20  ILE A HD12 1 
ATOM   158  H  HD13 . ILE A 1 12  ? -60.53462 -41.39955 -18.09233 1.000 26.66508  ?  20  ILE A HD13 1 
ATOM   159  N  N    . ASN A 1 13  ? -56.41844 -42.78934 -14.36750 1.000 15.78523  ?  21  ASN A N    1 
ATOM   160  C  CA   . ASN A 1 13  ? -56.13179 -43.09327 -12.96998 1.000 16.03055  ?  21  ASN A CA   1 
ATOM   161  C  C    . ASN A 1 13  ? -54.79351 -42.49438 -12.53560 1.000 16.57824  ?  21  ASN A C    1 
ATOM   162  O  O    . ASN A 1 13  ? -54.66516 -41.98455 -11.41651 1.000 16.69448  ?  21  ASN A O    1 
ATOM   163  C  CB   . ASN A 1 13  ? -56.19169 -44.60384 -12.72761 1.000 16.78058  ?  21  ASN A CB   1 
ATOM   164  C  CG   . ASN A 1 13  ? -57.62349 -45.12029 -12.55015 1.000 18.82311  ?  21  ASN A CG   1 
ATOM   165  O  OD1  . ASN A 1 13  ? -58.47748 -44.41428 -12.03761 1.000 19.71162  ?  21  ASN A OD1  1 
ATOM   166  N  ND2  . ASN A 1 13  ? -57.89110 -46.32631 -13.01859 1.000 19.33465  ?  21  ASN A ND2  1 
ATOM   167  H  H    . ASN A 1 13  ? -56.48532 -43.47470 -14.88269 1.000 18.96539  ?  21  ASN A H    1 
ATOM   168  H  HA   . ASN A 1 13  ? -56.81749 -42.69419 -12.41189 1.000 19.25978  ?  21  ASN A HA   1 
ATOM   169  H  HB2  . ASN A 1 13  ? -55.79996 -45.06160 -13.48780 1.000 20.15982  ?  21  ASN A HB2  1 
ATOM   170  H  HB3  . ASN A 1 13  ? -55.69497 -44.81445 -11.92150 1.000 20.15982  ?  21  ASN A HB3  1 
ATOM   171  H  HD21 . ASN A 1 13  ? -58.68277 -46.65266 -12.93891 1.000 23.22470  ?  21  ASN A HD21 1 
ATOM   172  H  HD22 . ASN A 1 13  ? -57.27361 -46.78500 -13.40319 1.000 23.22470  ?  21  ASN A HD22 1 
ATOM   173  N  N    . ARG A 1 14  ? -53.78882 -42.52465 -13.41094 1.000 18.11724  ?  22  ARG A N    1 
ATOM   174  C  CA   . ARG A 1 14  ? -52.51223 -41.90560 -13.06159 1.000 18.26636  ?  22  ARG A CA   1 
ATOM   175  C  C    . ARG A 1 14  ? -52.65844 -40.39791 -12.91224 1.000 16.65573  ?  22  ARG A C    1 
ATOM   176  O  O    . ARG A 1 14  ? -52.06772 -39.78643 -12.00488 1.000 17.28511  ?  22  ARG A O    1 
ATOM   177  C  CB   . ARG A 1 14  ? -51.48124 -42.22985 -14.12457 1.000 21.31814  ?  22  ARG A CB   1 
ATOM   178  C  CG   . ARG A 1 14  ? -51.11409 -43.69519 -14.13988 1.000 26.68235  ?  22  ARG A CG   1 
ATOM   179  C  CD   . ARG A 1 14  ? -49.81970 -43.89709 -14.89581 1.000 30.83823  ?  22  ARG A CD   1 
ATOM   180  N  NE   . ARG A 1 14  ? -50.05718 -43.82904 -16.33009 1.000 33.35794  ?  22  ARG A NE   1 
ATOM   181  C  CZ   . ARG A 1 14  ? -50.56006 -44.80847 -17.07309 1.000 35.78093  ?  22  ARG A CZ   1 
ATOM   182  N  NH1  . ARG A 1 14  ? -50.87313 -45.98520 -16.55509 1.000 38.65297  ?  22  ARG A NH1  1 
ATOM   183  N  NH2  . ARG A 1 14  ? -50.76631 -44.59348 -18.36377 1.000 36.38354  ?  22  ARG A NH2  1 
ATOM   184  H  H    . ARG A 1 14  ? -53.81917 -42.88636 -14.19058 1.000 21.76381  ?  22  ARG A H    1 
ATOM   185  H  HA   . ARG A 1 14  ? -52.20562 -42.26658 -12.21507 1.000 21.94275  ?  22  ARG A HA   1 
ATOM   186  H  HB2  . ARG A 1 14  ? -51.84024 -41.99913 -14.99566 1.000 25.60488  ?  22  ARG A HB2  1 
ATOM   187  H  HB3  . ARG A 1 14  ? -50.67550 -41.71820 -13.95169 1.000 25.60488  ?  22  ARG A HB3  1 
ATOM   188  H  HG2  . ARG A 1 14  ? -50.99600 -44.01210 -13.23074 1.000 32.04194  ?  22  ARG A HG2  1 
ATOM   189  H  HG3  . ARG A 1 14  ? -51.81371 -44.20289 -14.57995 1.000 32.04194  ?  22  ARG A HG3  1 
ATOM   190  H  HD2  . ARG A 1 14  ? -49.18859 -43.20179 -14.65258 1.000 37.02899  ?  22  ARG A HD2  1 
ATOM   191  H  HD3  . ARG A 1 14  ? -49.45106 -44.76882 -14.68347 1.000 37.02899  ?  22  ARG A HD3  1 
ATOM   192  H  HE   . ARG A 1 14  ? -49.85538 -43.09449 -16.72923 1.000 40.05265  ?  22  ARG A HE   1 
ATOM   193  H  HH11 . ARG A 1 14  ? -50.75231 -46.13165 -15.71631 1.000 46.40668  ?  22  ARG A HH11 1 
ATOM   194  H  HH12 . ARG A 1 14  ? -51.19742 -46.60351 -17.05722 1.000 46.40668  ?  22  ARG A HH12 1 
ATOM   195  H  HH21 . ARG A 1 14  ? -50.57516 -43.82904 -18.70829 1.000 43.68337  ?  22  ARG A HH21 1 
ATOM   196  H  HH22 . ARG A 1 14  ? -51.09136 -45.21834 -18.85722 1.000 43.68337  ?  22  ARG A HH22 1 
ATOM   197  N  N    . GLN A 1 15  ? -53.45722 -39.79050 -13.78460 1.000 16.27214  ?  23  GLN A N    1 
ATOM   198  C  CA   . GLN A 1 15  ? -53.66856 -38.35248 -13.70656 1.000 15.68400  ?  23  GLN A CA   1 
ATOM   199  C  C    . GLN A 1 15  ? -54.43036 -37.96642 -12.44362 1.000 15.95603  ?  23  GLN A C    1 
ATOM   200  O  O    . GLN A 1 15  ? -54.12570 -36.93874 -11.83418 1.000 16.67719  ?  23  GLN A O    1 
ATOM   201  C  CB   . GLN A 1 15  ? -54.36928 -37.82327 -14.94671 1.000 16.21032  ?  23  GLN A CB   1 
ATOM   202  C  CG   . GLN A 1 15  ? -54.41660 -36.29896 -15.02443 1.000 16.98445  ?  23  GLN A CG   1 
ATOM   203  C  CD   . GLN A 1 15  ? -53.07261 -35.70439 -15.28779 1.000 18.80195  ?  23  GLN A CD   1 
ATOM   204  O  OE1  . GLN A 1 15  ? -52.27352 -36.29712 -16.00747 1.000 19.61357  ?  23  GLN A OE1  1 
ATOM   205  N  NE2  . GLN A 1 15  ? -52.79692 -34.53899 -14.70132 1.000 18.84061  ?  23  GLN A NE2  1 
ATOM   206  H  H    . GLN A 1 15  ? -53.88189 -40.18274 -14.42131 1.000 19.54968  ?  23  GLN A H    1 
ATOM   207  H  HA   . GLN A 1 15  ? -52.79698 -37.92795 -13.67458 1.000 18.84392  ?  23  GLN A HA   1 
ATOM   208  H  HB2  . GLN A 1 15  ? -53.89902 -38.14519 -15.73165 1.000 19.47551  ?  23  GLN A HB2  1 
ATOM   209  H  HB3  . GLN A 1 15  ? -55.28317 -38.14836 -14.95092 1.000 19.47551  ?  23  GLN A HB3  1 
ATOM   210  H  HG2  . GLN A 1 15  ? -55.00998 -36.03551 -15.74512 1.000 20.40446  ?  23  GLN A HG2  1 
ATOM   211  H  HG3  . GLN A 1 15  ? -54.74245 -35.94746 -14.18112 1.000 20.40446  ?  23  GLN A HG3  1 
ATOM   212  H  HE21 . GLN A 1 15  ? -53.38255 -34.16251 -14.19644 1.000 22.63186  ?  23  GLN A HE21 1 
ATOM   213  H  HE22 . GLN A 1 15  ? -52.03348 -34.16385 -14.82796 1.000 22.63186  ?  23  GLN A HE22 1 
ATOM   214  N  N    . ILE A 1 16  ? -55.40787 -38.77605 -12.02004 1.000 16.11843  ?  24  ILE A N    1 
ATOM   215  C  CA   . ILE A 1 16  ? -56.09890 -38.50678 -10.76124 1.000 15.58488  ?  24  ILE A CA   1 
ATOM   216  C  C    . ILE A 1 16  ? -55.08590 -38.42473 -9.63101  1.000 13.08291  ?  24  ILE A C    1 
ATOM   217  O  O    . ILE A 1 16  ? -55.10927 -37.50719 -8.80368  1.000 16.02731  ?  24  ILE A O    1 
ATOM   218  C  CB   . ILE A 1 16  ? -57.15676 -39.58879 -10.48213 1.000 15.00238  ?  24  ILE A CB   1 
ATOM   219  C  CG1  . ILE A 1 16  ? -58.34920 -39.39671 -11.42457 1.000 16.01152  ?  24  ILE A CG1  1 
ATOM   220  C  CG2  . ILE A 1 16  ? -57.64046 -39.55858 -9.01885  1.000 15.52004  ?  24  ILE A CG2  1 
ATOM   221  C  CD1  . ILE A 1 16  ? -59.24130 -40.59908 -11.54490 1.000 17.53896  ?  24  ILE A CD1  1 
ATOM   222  H  H    . ILE A 1 16  ? -55.68338 -39.47546 -12.43779 1.000 19.36523  ?  24  ILE A H    1 
ATOM   223  H  HA   . ILE A 1 16  ? -56.55675 -37.65459 -10.83226 1.000 18.72498  ?  24  ILE A HA   1 
ATOM   224  H  HB   . ILE A 1 16  ? -56.74222 -40.45154 -10.63939 1.000 18.02597  ?  24  ILE A HB   1 
ATOM   225  H  HG12 . ILE A 1 16  ? -58.88956 -38.66177 -11.09477 1.000 19.23694  ?  24  ILE A HG12 1 
ATOM   226  H  HG13 . ILE A 1 16  ? -58.01351 -39.19005 -12.31086 1.000 19.23694  ?  24  ILE A HG13 1 
ATOM   227  H  HG21 . ILE A 1 16  ? -58.38184 -40.17599 -8.91851  1.000 18.64716  ?  24  ILE A HG21 1 
ATOM   228  H  HG22 . ILE A 1 16  ? -56.90915 -39.82281 -8.43898  1.000 18.64716  ?  24  ILE A HG22 1 
ATOM   229  H  HG23 . ILE A 1 16  ? -57.92770 -38.65837 -8.79972  1.000 18.64716  ?  24  ILE A HG23 1 
ATOM   230  H  HD11 . ILE A 1 16  ? -59.91383 -40.42681 -12.22234 1.000 21.06987  ?  24  ILE A HD11 1 
ATOM   231  H  HD12 . ILE A 1 16  ? -58.70479 -41.36622 -11.79897 1.000 21.06987  ?  24  ILE A HD12 1 
ATOM   232  H  HD13 . ILE A 1 16  ? -59.66799 -40.76262 -10.68928 1.000 21.06987  ?  24  ILE A HD13 1 
ATOM   233  N  N    . ASN A 1 17  ? -54.17053 -39.38825 -9.58251  1.000 15.09123  ?  25  ASN A N    1 
ATOM   234  C  CA   . ASN A 1 17  ? -53.18894 -39.38288 -8.50917  1.000 15.96435  ?  25  ASN A CA   1 
ATOM   235  C  C    . ASN A 1 17  ? -52.32638 -38.13171 -8.55367  1.000 17.70399  ?  25  ASN A C    1 
ATOM   236  O  O    . ASN A 1 17  ? -52.01350 -37.54266 -7.50762  1.000 16.95542  ?  25  ASN A O    1 
ATOM   237  C  CB   . ASN A 1 17  ? -52.30567 -40.62005 -8.59162  1.000 16.21910  ?  25  ASN A CB   1 
ATOM   238  C  CG   . ASN A 1 17  ? -51.42171 -40.75001 -7.38781  1.000 15.46714  ?  25  ASN A CG   1 
ATOM   239  O  OD1  . ASN A 1 17  ? -50.22569 -40.50427 -7.45399  1.000 18.39432  ?  25  ASN A OD1  1 
ATOM   240  N  ND2  . ASN A 1 17  ? -52.00983 -41.15156 -6.26413  1.000 15.27833  ?  25  ASN A ND2  1 
ATOM   241  H  H    . ASN A 1 17  ? -54.09939 -40.03677 -10.14283 1.000 18.13260  ?  25  ASN A H    1 
ATOM   242  H  HA   . ASN A 1 17  ? -53.66443 -39.40135 -7.66391  1.000 19.18034  ?  25  ASN A HA   1 
ATOM   243  H  HB2  . ASN A 1 17  ? -52.86555 -41.41035 -8.64513  1.000 19.48604  ?  25  ASN A HB2  1 
ATOM   244  H  HB3  . ASN A 1 17  ? -51.74170 -40.55911 -9.37847  1.000 19.48604  ?  25  ASN A HB3  1 
ATOM   245  H  HD21 . ASN A 1 17  ? -51.54684 -41.24209 -5.54507  1.000 18.35712  ?  25  ASN A HD21 1 
ATOM   246  H  HD22 . ASN A 1 17  ? -52.85302 -41.32063 -6.25677  1.000 18.35712  ?  25  ASN A HD22 1 
ATOM   247  N  N    . LEU A 1 18  ? -51.93651 -37.70646 -9.75312  1.000 16.25456  ?  26  LEU A N    1 
ATOM   248  C  CA   . LEU A 1 18  ? -51.08731 -36.53186 -9.86607  1.000 17.17862  ?  26  LEU A CA   1 
ATOM   249  C  C    . LEU A 1 18  ? -51.81009 -35.26734 -9.44345  1.000 15.21913  ?  26  LEU A C    1 
ATOM   250  O  O    . LEU A 1 18  ? -51.19729 -34.38660 -8.83599  1.000 15.52146  ?  26  LEU A O    1 
ATOM   251  C  CB   . LEU A 1 18  ? -50.52321 -36.44656 -11.28308 1.000 17.40350  ?  26  LEU A CB   1 
ATOM   252  C  CG   . LEU A 1 18  ? -49.63286 -35.26748 -11.59528 1.000 18.77020  ?  26  LEU A CG   1 
ATOM   253  C  CD1  . LEU A 1 18  ? -48.37845 -35.40524 -10.78335 1.000 20.38952  ?  26  LEU A CD1  1 
ATOM   254  C  CD2  . LEU A 1 18  ? -49.25510 -35.32013 -13.08151 1.000 19.57749  ?  26  LEU A CD2  1 
ATOM   255  H  H    . LEU A 1 18  ? -52.14691 -38.07462 -10.50132 1.000 19.52859  ?  26  LEU A H    1 
ATOM   256  H  HA   . LEU A 1 18  ? -50.33237 -36.61724 -9.26302  1.000 20.63746  ?  26  LEU A HA   1 
ATOM   257  H  HB2  . LEU A 1 18  ? -49.99997 -37.24714 -11.44495 1.000 20.90732  ?  26  LEU A HB2  1 
ATOM   258  H  HB3  . LEU A 1 18  ? -51.27055 -36.40825 -11.90026 1.000 20.90732  ?  26  LEU A HB3  1 
ATOM   259  H  HG   . LEU A 1 18  ? -50.07850 -34.42952 -11.39498 1.000 22.54736  ?  26  LEU A HG   1 
ATOM   260  H  HD11 . LEU A 1 18  ? -47.76920 -34.68829 -11.01933 1.000 24.49054  ?  26  LEU A HD11 1 
ATOM   261  H  HD12 . LEU A 1 18  ? -48.60428 -35.35087 -9.84157  1.000 24.49054  ?  26  LEU A HD12 1 
ATOM   262  H  HD13 . LEU A 1 18  ? -47.96989 -36.26353 -10.97652 1.000 24.49054  ?  26  LEU A HD13 1 
ATOM   263  H  HD21 . LEU A 1 18  ? -48.65162 -34.58715 -13.28012 1.000 23.51611  ?  26  LEU A HD21 1 
ATOM   264  H  HD22 . LEU A 1 18  ? -48.81946 -36.16676 -13.26683 1.000 23.51611  ?  26  LEU A HD22 1 
ATOM   265  H  HD23 . LEU A 1 18  ? -50.06098 -35.23899 -13.61525 1.000 23.51611  ?  26  LEU A HD23 1 
ATOM   266  N  N    . GLU A 1 19  ? -53.10271 -35.15497 -9.74247  1.000 14.78744  ?  27  GLU A N    1 
ATOM   267  C  CA   . GLU A 1 19  ? -53.87067 -34.00466 -9.26947  1.000 15.10575  ?  27  GLU A CA   1 
ATOM   268  C  C    . GLU A 1 19  ? -53.97146 -33.99952 -7.75139  1.000 14.94293  ?  27  GLU A C    1 
ATOM   269  O  O    . GLU A 1 19  ? -53.86085 -32.94413 -7.12153  1.000 16.44971  ?  27  GLU A O    1 
ATOM   270  C  CB   . GLU A 1 19  ? -55.26656 -33.99642 -9.89754  1.000 15.02965  ?  27  GLU A CB   1 
ATOM   271  C  CG   . GLU A 1 19  ? -55.26978 -33.95438 -11.42782 1.000 16.97054  ?  27  GLU A CG   1 
ATOM   272  C  CD   . GLU A 1 19  ? -54.81577 -32.64584 -12.04110 1.000 19.80342  ?  27  GLU A CD   1 
ATOM   273  O  OE1  . GLU A 1 19  ? -54.74900 -31.64281 -11.32683 1.000 20.13223  ?  27  GLU A OE1  1 
ATOM   274  O  OE2  . GLU A 1 19  ? -54.50994 -32.64367 -13.26443 1.000 19.27644  ?  27  GLU A OE2  1 
ATOM   275  H  H    . GLU A 1 19  ? -53.55223 -35.72026 -10.20935 1.000 17.76805  ?  27  GLU A H    1 
ATOM   276  H  HA   . GLU A 1 19  ? -53.41563 -33.19483 -9.54878  1.000 18.15002  ?  27  GLU A HA   1 
ATOM   277  H  HB2  . GLU A 1 19  ? -55.73337 -34.80183 -9.62494  1.000 18.05870  ?  27  GLU A HB2  1 
ATOM   278  H  HB3  . GLU A 1 19  ? -55.74364 -33.21331 -9.58128  1.000 18.05870  ?  27  GLU A HB3  1 
ATOM   279  H  HG2  . GLU A 1 19  ? -54.67559 -34.64806 -11.75440 1.000 20.38777  ?  27  GLU A HG2  1 
ATOM   280  H  HG3  . GLU A 1 19  ? -56.17427 -34.11980 -11.73674 1.000 20.38777  ?  27  GLU A HG3  1 
ATOM   281  N  N    . LEU A 1 20  ? -54.18950 -35.16786 -7.15194  1.000 15.24161  ?  28  LEU A N    1 
ATOM   282  C  CA   . LEU A 1 20  ? -54.23136 -35.25848 -5.70204  1.000 15.11087  ?  28  LEU A CA   1 
ATOM   283  C  C    . LEU A 1 20  ? -52.87657 -34.91450 -5.08009  1.000 15.85872  ?  28  LEU A C    1 
ATOM   284  O  O    . LEU A 1 20  ? -52.81180 -34.26856 -4.02213  1.000 16.66579  ?  28  LEU A O    1 
ATOM   285  C  CB   . LEU A 1 20  ? -54.68912 -36.66162 -5.28192  1.000 16.23489  ?  28  LEU A CB   1 
ATOM   286  C  CG   . LEU A 1 20  ? -56.11511 -37.07553 -5.63011  1.000 18.44434  ?  28  LEU A CG   1 
ATOM   287  C  CD1  . LEU A 1 20  ? -56.30665 -38.58792 -5.45070  1.000 19.61820  ?  28  LEU A CD1  1 
ATOM   288  C  CD2  . LEU A 1 20  ? -57.09428 -36.28228 -4.80453  1.000 19.24006  ?  28  LEU A CD2  1 
ATOM   289  H  H    . LEU A 1 20  ? -54.31475 -35.91440 -7.56010  1.000 18.31305  ?  28  LEU A H    1 
ATOM   290  H  HA   . LEU A 1 20  ? -54.87760 -34.61860 -5.36465  1.000 18.15617  ?  28  LEU A HA   1 
ATOM   291  H  HB2  . LEU A 1 20  ? -54.09955 -37.30447 -5.70624  1.000 19.50499  ?  28  LEU A HB2  1 
ATOM   292  H  HB3  . LEU A 1 20  ? -54.60750 -36.72289 -4.31730  1.000 19.50499  ?  28  LEU A HB3  1 
ATOM   293  H  HG   . LEU A 1 20  ? -56.29220 -36.88300 -6.56417  1.000 22.15633  ?  28  LEU A HG   1 
ATOM   294  H  HD11 . LEU A 1 20  ? -57.21166 -38.82430 -5.70760  1.000 23.56496  ?  28  LEU A HD11 1 
ATOM   295  H  HD12 . LEU A 1 20  ? -55.67013 -39.05583 -6.01356  1.000 23.56496  ?  28  LEU A HD12 1 
ATOM   296  H  HD13 . LEU A 1 20  ? -56.15639 -38.81710 -4.52022  1.000 23.56496  ?  28  LEU A HD13 1 
ATOM   297  H  HD21 . LEU A 1 20  ? -57.99655 -36.52793 -5.06235  1.000 23.11119  ?  28  LEU A HD21 1 
ATOM   298  H  HD22 . LEU A 1 20  ? -56.95202 -36.48337 -3.86632  1.000 23.11119  ?  28  LEU A HD22 1 
ATOM   299  H  HD23 . LEU A 1 20  ? -56.95004 -35.33671 -4.96572  1.000 23.11119  ?  28  LEU A HD23 1 
ATOM   300  N  N    . TYR A 1 21  ? -51.78934 -35.32920 -5.72893  1.000 15.05960  ?  29  TYR A N    1 
ATOM   301  C  CA   . TYR A 1 21  ? -50.45468 -34.95720 -5.27294  1.000 14.87972  ?  29  TYR A CA   1 
ATOM   302  C  C    . TYR A 1 21  ? -50.26947 -33.44974 -5.32967  1.000 15.70204  ?  29  TYR A C    1 
ATOM   303  O  O    . TYR A 1 21  ? -49.76066 -32.84691 -4.37528  1.000 15.57882  ?  29  TYR A O    1 
ATOM   304  C  CB   . TYR A 1 21  ? -49.40293 -35.65225 -6.13138  1.000 16.37785  ?  29  TYR A CB   1 
ATOM   305  C  CG   . TYR A 1 21  ? -47.99481 -35.19191 -5.84253  1.000 15.33937  ?  29  TYR A CG   1 
ATOM   306  C  CD1  . TYR A 1 21  ? -47.34107 -35.59677 -4.69726  1.000 17.46404  ?  29  TYR A CD1  1 
ATOM   307  C  CD2  . TYR A 1 21  ? -47.34721 -34.31858 -6.69798  1.000 17.86139  ?  29  TYR A CD2  1 
ATOM   308  C  CE1  . TYR A 1 21  ? -46.07162 -35.16105 -4.41947  1.000 19.21857  ?  29  TYR A CE1  1 
ATOM   309  C  CE2  . TYR A 1 21  ? -46.07377 -33.85936 -6.42528  1.000 19.10914  ?  29  TYR A CE2  1 
ATOM   310  C  CZ   . TYR A 1 21  ? -45.43624 -34.30441 -5.29011  1.000 19.11660  ?  29  TYR A CZ   1 
ATOM   311  O  OH   . TYR A 1 21  ? -44.14987 -33.86407 -4.98647  1.000 21.23497  ?  29  TYR A OH   1 
ATOM   312  H  H    . TYR A 1 21  ? -51.79750 -35.82419 -6.43215  1.000 18.09464  ?  29  TYR A H    1 
ATOM   313  H  HA   . TYR A 1 21  ? -50.33746 -35.24788 -4.35497  1.000 17.87879  ?  29  TYR A HA   1 
ATOM   314  H  HB2  . TYR A 1 21  ? -49.44398 -36.60705 -5.96535  1.000 19.67654  ?  29  TYR A HB2  1 
ATOM   315  H  HB3  . TYR A 1 21  ? -49.59018 -35.46957 -7.06544  1.000 19.67654  ?  29  TYR A HB3  1 
ATOM   316  H  HD1  . TYR A 1 21  ? -47.76767 -36.17345 -4.10535  1.000 20.97996  ?  29  TYR A HD1  1 
ATOM   317  H  HD2  . TYR A 1 21  ? -47.77797 -34.03518 -7.47195  1.000 21.45679  ?  29  TYR A HD2  1 
ATOM   318  H  HE1  . TYR A 1 21  ? -45.64070 -35.44321 -3.64513  1.000 23.08541  ?  29  TYR A HE1  1 
ATOM   319  H  HE2  . TYR A 1 21  ? -45.65428 -33.25959 -6.99904  1.000 22.95409  ?  29  TYR A HE2  1 
ATOM   320  H  HH   . TYR A 1 21  ? -43.90104 -33.29326 -5.55027  1.000 25.50508  ?  29  TYR A HH   1 
ATOM   321  N  N    . ALA A 1 22  ? -50.69458 -32.81655 -6.42958  1.000 15.76578  ?  30  ALA A N    1 
ATOM   322  C  CA   . ALA A 1 22  ? -50.56787 -31.36267 -6.52711  1.000 16.37223  ?  30  ALA A CA   1 
ATOM   323  C  C    . ALA A 1 22  ? -51.36140 -30.66642 -5.42284  1.000 15.19921  ?  30  ALA A C    1 
ATOM   324  O  O    . ALA A 1 22  ? -50.89162 -29.69454 -4.81475  1.000 15.46464  ?  30  ALA A O    1 
ATOM   325  C  CB   . ALA A 1 22  ? -51.04332 -30.89761 -7.89583  1.000 17.10628  ?  30  ALA A CB   1 
ATOM   326  H  H    . ALA A 1 22  ? -51.05020 -33.19681 -7.11408  1.000 18.94205  ?  30  ALA A H    1 
ATOM   327  H  HA   . ALA A 1 22  ? -49.63447 -31.11807 -6.42794  1.000 19.66979  ?  30  ALA A HA   1 
ATOM   328  H  HB1  . ALA A 1 22  ? -50.87367 -29.94652 -7.98271  1.000 20.55065  ?  30  ALA A HB1  1 
ATOM   329  H  HB2  . ALA A 1 22  ? -50.55830 -31.38404 -8.58070  1.000 20.55065  ?  30  ALA A HB2  1 
ATOM   330  H  HB3  . ALA A 1 22  ? -51.99399 -31.07273 -7.97621  1.000 20.55065  ?  30  ALA A HB3  1 
ATOM   331  N  N    . SER A 1 23  ? -52.56923 -31.15681 -5.13191  1.000 15.18052  ?  31  SER A N    1 
ATOM   332  C  CA   . SER A 1 23  ? -53.31059 -30.64737 -3.97944  1.000 14.37067  ?  31  SER A CA   1 
ATOM   333  C  C    . SER A 1 23  ? -52.53225 -30.68149 -2.68488  1.000 14.87074  ?  31  SER A C    1 
ATOM   334  O  O    . SER A 1 23  ? -52.56863 -29.71192 -1.90824  1.000 15.96122  ?  31  SER A O    1 
ATOM   335  C  CB   . SER A 1 23  ? -54.60299 -31.42210 -3.80959  1.000 15.92503  ?  31  SER A CB   1 
ATOM   336  O  OG   . SER A 1 23  ? -55.40668 -30.81144 -2.85065  1.000 18.76028  ?  31  SER A OG   1 
ATOM   337  H  H    . SER A 1 23  ? -52.97295 -31.77204 -5.57701  1.000 18.23974  ?  31  SER A H    1 
ATOM   338  H  HA   . SER A 1 23  ? -53.50549 -29.71596 -4.16751  1.000 17.26793  ?  31  SER A HA   1 
ATOM   339  H  HB2  . SER A 1 23  ? -55.07619 -31.44146 -4.65611  1.000 19.13315  ?  31  SER A HB2  1 
ATOM   340  H  HB3  . SER A 1 23  ? -54.39720 -32.32591 -3.52380  1.000 19.13315  ?  31  SER A HB3  1 
ATOM   341  H  HG   . SER A 1 23  ? -56.15078 -31.19910 -2.81030  1.000 22.53546  ?  31  SER A HG   1 
ATOM   342  N  N    . TYR A 1 24  ? -51.84750 -31.79955 -2.43170  1.000 15.64395  ?  32  TYR A N    1 
ATOM   343  C  CA   . TYR A 1 24  ? -51.10958 -31.98409 -1.18736  1.000 15.05531  ?  32  TYR A CA   1 
ATOM   344  C  C    . TYR A 1 24  ? -49.90632 -31.05994 -1.13560  1.000 14.67702  ?  32  TYR A C    1 
ATOM   345  O  O    . TYR A 1 24  ? -49.57837 -30.52525 -0.07382  1.000 16.02359  ?  32  TYR A O    1 
ATOM   346  C  CB   . TYR A 1 24  ? -50.65226 -33.44315 -1.12229  1.000 14.76038  ?  32  TYR A CB   1 
ATOM   347  C  CG   . TYR A 1 24  ? -50.36884 -34.02424 0.24053   1.000 15.24438  ?  32  TYR A CG   1 
ATOM   348  C  CD1  . TYR A 1 24  ? -50.79856 -33.41418 1.40230   1.000 15.60674  ?  32  TYR A CD1  1 
ATOM   349  C  CD2  . TYR A 1 24  ? -49.70647 -35.23782 0.34079   1.000 14.85198  ?  32  TYR A CD2  1 
ATOM   350  C  CE1  . TYR A 1 24  ? -50.54999 -33.99660 2.64140   1.000 15.90488  ?  32  TYR A CE1  1 
ATOM   351  C  CE2  . TYR A 1 24  ? -49.46619 -35.82885 1.54869   1.000 14.64779  ?  32  TYR A CE2  1 
ATOM   352  C  CZ   . TYR A 1 24  ? -49.88623 -35.20216 2.71179   1.000 15.20464  ?  32  TYR A CZ   1 
ATOM   353  O  OH   . TYR A 1 24  ? -49.65205 -35.75494 3.96408   1.000 16.56441  ?  32  TYR A OH   1 
ATOM   354  H  H    . TYR A 1 24  ? -51.79507 -32.46935 -2.96856  1.000 18.79586  ?  32  TYR A H    1 
ATOM   355  H  HA   . TYR A 1 24  ? -51.67634 -31.78477 -0.42581  1.000 18.08950  ?  32  TYR A HA   1 
ATOM   356  H  HB2  . TYR A 1 24  ? -51.34687 -33.99040 -1.52098  1.000 17.73558  ?  32  TYR A HB2  1 
ATOM   357  H  HB3  . TYR A 1 24  ? -49.83295 -33.52100 -1.63568  1.000 17.73558  ?  32  TYR A HB3  1 
ATOM   358  H  HD1  . TYR A 1 24  ? -51.25813 -32.60697 1.35626   1.000 18.75121  ?  32  TYR A HD1  1 
ATOM   359  H  HD2  . TYR A 1 24  ? -49.41784 -35.66112 -0.43535  1.000 17.84549  ?  32  TYR A HD2  1 
ATOM   360  H  HE1  . TYR A 1 24  ? -50.83118 -33.57321 3.42023   1.000 19.10898  ?  32  TYR A HE1  1 
ATOM   361  H  HE2  . TYR A 1 24  ? -49.02394 -36.64589 1.59049   1.000 17.60047  ?  32  TYR A HE2  1 
ATOM   362  H  HH   . TYR A 1 24  ? -49.51432 -36.58048 3.89252   1.000 19.90041  ?  32  TYR A HH   1 
ATOM   363  N  N    . VAL A 1 25  ? -49.21881 -30.88036 -2.26977  1.000 14.73303  ?  33  VAL A N    1 
ATOM   364  C  CA   . VAL A 1 25  ? -48.10175 -29.95477 -2.31591  1.000 16.52547  ?  33  VAL A CA   1 
ATOM   365  C  C    . VAL A 1 25  ? -48.57444 -28.56465 -1.92359  1.000 17.27857  ?  33  VAL A C    1 
ATOM   366  O  O    . VAL A 1 25  ? -47.94345 -27.86466 -1.11546  1.000 16.11206  ?  33  VAL A O    1 
ATOM   367  C  CB   . VAL A 1 25  ? -47.44962 -29.95125 -3.71526  1.000 16.97577  ?  33  VAL A CB   1 
ATOM   368  C  CG1  . VAL A 1 25  ? -46.42909 -28.78097 -3.79902  1.000 17.59281  ?  33  VAL A CG1  1 
ATOM   369  C  CG2  . VAL A 1 25  ? -46.77055 -31.28958 -4.06171  1.000 15.55551  ?  33  VAL A CG2  1 
ATOM   370  H  H    . VAL A 1 25  ? -49.38277 -31.28078 -3.01299  1.000 17.70276  ?  33  VAL A H    1 
ATOM   371  H  HA   . VAL A 1 25  ? -47.43020 -30.24661 -1.67971  1.000 19.85368  ?  33  VAL A HA   1 
ATOM   372  H  HB   . VAL A 1 25  ? -48.14948 -29.82769 -4.37544  1.000 20.39404  ?  33  VAL A HB   1 
ATOM   373  H  HG11 . VAL A 1 25  ? -45.87432 -28.90143 -4.58554  1.000 21.13449  ?  33  VAL A HG11 1 
ATOM   374  H  HG12 . VAL A 1 25  ? -46.91383 -27.94309 -3.86131  1.000 21.13449  ?  33  VAL A HG12 1 
ATOM   375  H  HG13 . VAL A 1 25  ? -45.87735 -28.78539 -3.00123  1.000 21.13449  ?  33  VAL A HG13 1 
ATOM   376  H  HG21 . VAL A 1 25  ? -46.47721 -31.26492 -4.98597  1.000 18.68973  ?  33  VAL A HG21 1 
ATOM   377  H  HG22 . VAL A 1 25  ? -46.00806 -31.41776 -3.47598  1.000 18.68973  ?  33  VAL A HG22 1 
ATOM   378  H  HG23 . VAL A 1 25  ? -47.40867 -32.00928 -3.93630  1.000 18.68973  ?  33  VAL A HG23 1 
ATOM   379  N  N    . TYR A 1 26  ? -49.67437 -28.12355 -2.52117  1.000 15.14421  ?  34  TYR A N    1 
ATOM   380  C  CA   . TYR A 1 26  ? -50.17114 -26.79173 -2.20084  1.000 16.28836  ?  34  TYR A CA   1 
ATOM   381  C  C    . TYR A 1 26  ? -50.65420 -26.67266 -0.76324  1.000 15.00954  ?  34  TYR A C    1 
ATOM   382  O  O    . TYR A 1 26  ? -50.48858 -25.61348 -0.15243  1.000 15.66935  ?  34  TYR A O    1 
ATOM   383  C  CB   . TYR A 1 26  ? -51.25431 -26.25135 -3.14381  1.000 15.91126  ?  34  TYR A CB   1 
ATOM   384  C  CG   . TYR A 1 26  ? -50.77592 -25.91343 -4.52420  1.000 17.89751  ?  34  TYR A CG   1 
ATOM   385  C  CD1  . TYR A 1 26  ? -49.90899 -24.83996 -4.70356  1.000 21.05858  ?  34  TYR A CD1  1 
ATOM   386  C  CD2  . TYR A 1 26  ? -51.31579 -26.50135 -5.65687  1.000 18.73750  ?  34  TYR A CD2  1 
ATOM   387  C  CE1  . TYR A 1 26  ? -49.48106 -24.47713 -5.94648  1.000 22.42807  ?  34  TYR A CE1  1 
ATOM   388  C  CE2  . TYR A 1 26  ? -50.89423 -26.12891 -6.91685  1.000 19.70931  ?  34  TYR A CE2  1 
ATOM   389  C  CZ   . TYR A 1 26  ? -49.97953 -25.11005 -7.06203  1.000 22.06836  ?  34  TYR A CZ   1 
ATOM   390  O  OH   . TYR A 1 26  ? -49.53760 -24.68429 -8.30814  1.000 27.37050  ?  34  TYR A OH   1 
ATOM   391  H  H    . TYR A 1 26  ? -50.13825 -28.56114 -3.09817  1.000 18.19618  ?  34  TYR A H    1 
ATOM   392  H  HA   . TYR A 1 26  ? -49.40037 -26.21960 -2.34039  1.000 19.56915  ?  34  TYR A HA   1 
ATOM   393  H  HB2  . TYR A 1 26  ? -51.94843 -26.92313 -3.23216  1.000 19.11663  ?  34  TYR A HB2  1 
ATOM   394  H  HB3  . TYR A 1 26  ? -51.62325 -25.44199 -2.75688  1.000 19.11663  ?  34  TYR A HB3  1 
ATOM   395  H  HD1  . TYR A 1 26  ? -49.61600 -24.36108 -3.96212  1.000 25.29341  ?  34  TYR A HD1  1 
ATOM   396  H  HD2  . TYR A 1 26  ? -51.97074 -27.15542 -5.56669  1.000 22.50811  ?  34  TYR A HD2  1 
ATOM   397  H  HE1  . TYR A 1 26  ? -48.85053 -23.80001 -6.04044  1.000 26.93680  ?  34  TYR A HE1  1 
ATOM   398  H  HE2  . TYR A 1 26  ? -51.22758 -26.56561 -7.66723  1.000 23.67429  ?  34  TYR A HE2  1 
ATOM   399  H  HH   . TYR A 1 26  ? -49.86984 -25.16599 -8.91079  1.000 32.86771  ?  34  TYR A HH   1 
ATOM   400  N  N    . LEU A 1 27  ? -51.23051 -27.74535 -0.19921  1.000 16.38425  ?  35  LEU A N    1 
ATOM   401  C  CA   . LEU A 1 27  ? -51.61114 -27.71952 1.20709   1.000 16.54458  ?  35  LEU A CA   1 
ATOM   402  C  C    . LEU A 1 27  ? -50.38314 -27.55875 2.09190   1.000 16.23780  ?  35  LEU A C    1 
ATOM   403  O  O    . LEU A 1 27  ? -50.38011 -26.76796 3.05073   1.000 17.21817  ?  35  LEU A O    1 
ATOM   404  C  CB   . LEU A 1 27  ? -52.34401 -29.01273 1.55583   1.000 18.46755  ?  35  LEU A CB   1 
ATOM   405  C  CG   . LEU A 1 27  ? -52.83800 -29.07407 2.98941   1.000 18.96695  ?  35  LEU A CG   1 
ATOM   406  C  CD1  . LEU A 1 27  ? -53.97568 -28.08935 3.19141   1.000 20.31892  ?  35  LEU A CD1  1 
ATOM   407  C  CD2  . LEU A 1 27  ? -53.25905 -30.49098 3.30848   1.000 19.47137  ?  35  LEU A CD2  1 
ATOM   408  H  H    . LEU A 1 27  ? -51.40585 -28.48252 -0.60595  1.000 19.68422  ?  35  LEU A H    1 
ATOM   409  H  HA   . LEU A 1 27  ? -52.20720 -26.97147 1.36844   1.000 19.87662  ?  35  LEU A HA   1 
ATOM   410  H  HB2  . LEU A 1 27  ? -53.11477 -29.09941 0.97332   1.000 22.18418  ?  35  LEU A HB2  1 
ATOM   411  H  HB3  . LEU A 1 27  ? -51.73926 -29.75871 1.41909   1.000 22.18418  ?  35  LEU A HB3  1 
ATOM   412  H  HG   . LEU A 1 27  ? -52.13198 -28.82405 3.60579   1.000 22.78345  ?  35  LEU A HG   1 
ATOM   413  H  HD11 . LEU A 1 27  ? -54.35285 -28.21959 4.07554   1.000 24.40582  ?  35  LEU A HD11 1 
ATOM   414  H  HD12 . LEU A 1 27  ? -53.63043 -27.18664 3.10877   1.000 24.40582  ?  35  LEU A HD12 1 
ATOM   415  H  HD13 . LEU A 1 27  ? -54.65373 -28.24729 2.51599   1.000 24.40582  ?  35  LEU A HD13 1 
ATOM   416  H  HD21 . LEU A 1 27  ? -53.59616 -30.52316 4.21745   1.000 23.38876  ?  35  LEU A HD21 1 
ATOM   417  H  HD22 . LEU A 1 27  ? -53.95410 -30.76117 2.68815   1.000 23.38876  ?  35  LEU A HD22 1 
ATOM   418  H  HD23 . LEU A 1 27  ? -52.49068 -31.07633 3.21974   1.000 23.38876  ?  35  LEU A HD23 1 
ATOM   419  N  N    . SER A 1 28  ? -49.32480 -28.28883 1.76753   1.000 15.51001  ?  36  SER A N    1 
ATOM   420  C  CA   . SER A 1 28  ? -48.09314 -28.16078 2.51997   1.000 15.63772  ?  36  SER A CA   1 
ATOM   421  C  C    . SER A 1 28  ? -47.57566 -26.73592 2.44887   1.000 16.00525  ?  36  SER A C    1 
ATOM   422  O  O    . SER A 1 28  ? -47.15219 -26.16126 3.46884   1.000 16.77744  ?  36  SER A O    1 
ATOM   423  C  CB   . SER A 1 28  ? -47.04602 -29.11110 1.94108   1.000 14.87487  ?  36  SER A CB   1 
ATOM   424  O  OG   . SER A 1 28  ? -45.79355 -28.91260 2.59193   1.000 18.52086  ?  36  SER A OG   1 
ATOM   425  H  H    . SER A 1 28  ? -49.29612 -28.85817 1.12361   1.000 18.63514  ?  36  SER A H    1 
ATOM   426  H  HA   . SER A 1 28  ? -48.25513 -28.39438 3.44738   1.000 18.78838  ?  36  SER A HA   1 
ATOM   427  H  HB2  . SER A 1 28  ? -47.33542 -30.02664 2.07863   1.000 17.87296  ?  36  SER A HB2  1 
ATOM   428  H  HB3  . SER A 1 28  ? -46.94428 -28.93423 0.99278   1.000 17.87296  ?  36  SER A HB3  1 
ATOM   429  H  HG   . SER A 1 28  ? -45.20998 -29.41076 2.25005   1.000 22.24815  ?  36  SER A HG   1 
ATOM   430  N  N    . MET A 1 29  ? -47.60233 -26.14416 1.25149   1.000 16.69842  ?  37  MET A N    1 
ATOM   431  C  CA   . MET A 1 29  ? -47.09079 -24.79505 1.13863   1.000 16.19540  ?  37  MET A CA   1 
ATOM   432  C  C    . MET A 1 29  ? -47.94643 -23.81952 1.96796   1.000 15.45556  ?  37  MET A C    1 
ATOM   433  O  O    . MET A 1 29  ? -47.42444 -22.89234 2.60238   1.000 16.66851  ?  37  MET A O    1 
ATOM   434  C  CB   . MET A 1 29  ? -47.01731 -24.23424 -0.28309  1.000 17.21483  ?  37  MET A CB   1 
ATOM   435  C  CG   . MET A 1 29  ? -45.95150 -24.91364 -1.13046  1.000 16.26940  ?  37  MET A CG   1 
ATOM   436  S  SD   . MET A 1 29  ? -46.15753 -24.40296 -2.86280  1.000 18.58541  ?  37  MET A SD   1 
ATOM   437  C  CE   . MET A 1 29  ? -44.76864 -25.25882 -3.60721  1.000 18.53687  ?  37  MET A CE   1 
ATOM   438  H  H    . MET A 1 29  ? -47.90035 -26.49398 0.52457   1.000 20.06123  ?  37  MET A H    1 
ATOM   439  H  HA   . MET A 1 29  ? -46.17437 -24.86563 1.44861   1.000 19.45760  ?  37  MET A HA   1 
ATOM   440  H  HB2  . MET A 1 29  ? -47.87452 -24.36395 -0.71812  1.000 20.68091  ?  37  MET A HB2  1 
ATOM   441  H  HB3  . MET A 1 29  ? -46.80760 -23.28822 -0.23865  1.000 20.68091  ?  37  MET A HB3  1 
ATOM   442  H  HG2  . MET A 1 29  ? -45.06930 -24.64901 -0.82617  1.000 19.54640  ?  37  MET A HG2  1 
ATOM   443  H  HG3  . MET A 1 29  ? -46.04749 -25.87710 -1.07187  1.000 19.54640  ?  37  MET A HG3  1 
ATOM   444  H  HE1  . MET A 1 29  ? -44.76865 -25.08973 -4.56236  1.000 22.26736  ?  37  MET A HE1  1 
ATOM   445  H  HE2  . MET A 1 29  ? -43.94617 -24.92878 -3.21287  1.000 22.26736  ?  37  MET A HE2  1 
ATOM   446  H  HE3  . MET A 1 29  ? -44.85734 -26.21012 -3.43970  1.000 22.26736  ?  37  MET A HE3  1 
ATOM   447  N  N    . ALA A 1 30  ? -49.27382 -23.96185 1.89241   1.000 14.98521  ?  38  ALA A N    1 
ATOM   448  C  CA   . ALA A 1 30  ? -50.15946 -23.06933 2.64055   1.000 15.12370  ?  38  ALA A CA   1 
ATOM   449  C  C    . ALA A 1 30  ? -49.77428 -23.01820 4.11882   1.000 16.52542  ?  38  ALA A C    1 
ATOM   450  O  O    . ALA A 1 30  ? -49.68550 -21.93956 4.70534   1.000 17.90827  ?  38  ALA A O    1 
ATOM   451  C  CB   . ALA A 1 30  ? -51.61540 -23.51508 2.48247   1.000 15.70972  ?  38  ALA A CB   1 
ATOM   452  H  H    . ALA A 1 30  ? -49.67897 -24.55756 1.42275   1.000 18.00537  ?  38  ALA A H    1 
ATOM   453  H  HA   . ALA A 1 30  ? -50.07656 -22.17496 2.27429   1.000 18.17156  ?  38  ALA A HA   1 
ATOM   454  H  HB1  . ALA A 1 30  ? -52.17810 -22.96169 3.04641   1.000 18.87478  ?  38  ALA A HB1  1 
ATOM   455  H  HB2  . ALA A 1 30  ? -51.87730 -23.41489 1.55389   1.000 18.87478  ?  38  ALA A HB2  1 
ATOM   456  H  HB3  . ALA A 1 30  ? -51.69185 -24.44452 2.74929   1.000 18.87478  ?  38  ALA A HB3  1 
ATOM   457  N  N    . TYR A 1 31  ? -49.54189 -24.18264 4.73814   1.000 15.57953  ?  39  TYR A N    1 
ATOM   458  C  CA   . TYR A 1 31  ? -49.23778 -24.24865 6.17358   1.000 16.89513  ?  39  TYR A CA   1 
ATOM   459  C  C    . TYR A 1 31  ? -47.78375 -23.91714 6.48466   1.000 17.65660  ?  39  TYR A C    1 
ATOM   460  O  O    . TYR A 1 31  ? -47.45747 -23.61313 7.63275   1.000 21.75210  ?  39  TYR A O    1 
ATOM   461  C  CB   . TYR A 1 31  ? -49.74756 -25.57087 6.77756   1.000 17.51829  ?  39  TYR A CB   1 
ATOM   462  C  CG   . TYR A 1 31  ? -51.24744 -25.49355 6.99228   1.000 17.20958  ?  39  TYR A CG   1 
ATOM   463  C  CD1  . TYR A 1 31  ? -52.12843 -25.86692 5.98514   1.000 17.17707  ?  39  TYR A CD1  1 
ATOM   464  C  CD2  . TYR A 1 31  ? -51.77723 -24.93550 8.14839   1.000 18.03427  ?  39  TYR A CD2  1 
ATOM   465  C  CE1  . TYR A 1 31  ? -53.48141 -25.72604 6.13135   1.000 18.90872  ?  39  TYR A CE1  1 
ATOM   466  C  CE2  . TYR A 1 31  ? -53.13694 -24.79443 8.30602   1.000 20.77246  ?  39  TYR A CE2  1 
ATOM   467  C  CZ   . TYR A 1 31  ? -53.98585 -25.20416 7.28949   1.000 20.82516  ?  39  TYR A CZ   1 
ATOM   468  O  OH   . TYR A 1 31  ? -55.35297 -25.06718 7.40424   1.000 23.45564  ?  39  TYR A OH   1 
ATOM   469  H  H    . TYR A 1 31  ? -49.55453 -24.94929 4.34868   1.000 18.71856  ?  39  TYR A H    1 
ATOM   470  H  HA   . TYR A 1 31  ? -49.74172 -23.57691 6.65908   1.000 20.29728  ?  39  TYR A HA   1 
ATOM   471  H  HB2  . TYR A 1 31  ? -49.55590 -26.30292 6.17071   1.000 21.04507  ?  39  TYR A HB2  1 
ATOM   472  H  HB3  . TYR A 1 31  ? -49.31695 -25.72729 7.63255   1.000 21.04507  ?  39  TYR A HB3  1 
ATOM   473  H  HD1  . TYR A 1 31  ? -51.79100 -26.22051 5.19393   1.000 20.63560  ?  39  TYR A HD1  1 
ATOM   474  H  HD2  . TYR A 1 31  ? -51.20529 -24.65330 8.82525   1.000 21.66425  ?  39  TYR A HD2  1 
ATOM   475  H  HE1  . TYR A 1 31  ? -54.05493 -25.98406 5.44622   1.000 22.71358  ?  39  TYR A HE1  1 
ATOM   476  H  HE2  . TYR A 1 31  ? -53.48322 -24.42759 9.08731   1.000 24.95007  ?  39  TYR A HE2  1 
ATOM   477  H  HH   . TYR A 1 31  ? -55.53562 -24.42033 7.90805   1.000 28.16988  ?  39  TYR A HH   1 
ATOM   478  N  N    . TYR A 1 32  ? -46.91759 -23.88947 5.48132   1.000 14.95662  ?  40  TYR A N    1 
ATOM   479  C  CA   . TYR A 1 32  ? -45.58506 -23.34055 5.68210   1.000 16.08276  ?  40  TYR A CA   1 
ATOM   480  C  C    . TYR A 1 32  ? -45.66890 -21.83185 5.86296   1.000 16.36187  ?  40  TYR A C    1 
ATOM   481  O  O    . TYR A 1 32  ? -45.02638 -21.26372 6.74910   1.000 17.10108  ?  40  TYR A O    1 
ATOM   482  C  CB   . TYR A 1 32  ? -44.71362 -23.67007 4.47111   1.000 18.09147  ?  40  TYR A CB   1 
ATOM   483  C  CG   . TYR A 1 32  ? -43.37892 -22.97331 4.46546   1.000 21.88319  ?  40  TYR A CG   1 
ATOM   484  C  CD1  . TYR A 1 32  ? -42.37545 -23.35172 5.32843   1.000 22.86570  ?  40  TYR A CD1  1 
ATOM   485  C  CD2  . TYR A 1 32  ? -43.16162 -21.85036 3.67105   1.000 21.09088  ?  40  TYR A CD2  1 
ATOM   486  C  CE1  . TYR A 1 32  ? -41.16633 -22.69669 5.35121   1.000 23.38027  ?  40  TYR A CE1  1 
ATOM   487  C  CE2  . TYR A 1 32  ? -41.97213 -21.18723 3.68754   1.000 21.88876  ?  40  TYR A CE2  1 
ATOM   488  C  CZ   . TYR A 1 32  ? -40.96686 -21.60660 4.53387   1.000 22.06300  ?  40  TYR A CZ   1 
ATOM   489  O  OH   . TYR A 1 32  ? -39.76648 -20.94258 4.58363   1.000 24.74394  ?  40  TYR A OH   1 
ATOM   490  H  H    . TYR A 1 32  ? -47.07314 -24.17758 4.68608   1.000 17.97106  ?  40  TYR A H    1 
ATOM   491  H  HA   . TYR A 1 32  ? -45.18040 -23.73513 6.47043   1.000 19.32243  ?  40  TYR A HA   1 
ATOM   492  H  HB2  . TYR A 1 32  ? -44.54707 -24.62559 4.45931   1.000 21.73288  ?  40  TYR A HB2  1 
ATOM   493  H  HB3  . TYR A 1 32  ? -45.18715 -23.40589 3.66682   1.000 21.73288  ?  40  TYR A HB3  1 
ATOM   494  H  HD1  . TYR A 1 32  ? -42.51802 -24.06496 5.90796   1.000 27.46196  ?  40  TYR A HD1  1 
ATOM   495  H  HD2  . TYR A 1 32  ? -43.84392 -21.54649 3.11695   1.000 25.33218  ?  40  TYR A HD2  1 
ATOM   496  H  HE1  . TYR A 1 32  ? -40.48714 -22.98840 5.91557   1.000 28.07944  ?  40  TYR A HE1  1 
ATOM   497  H  HE2  . TYR A 1 32  ? -41.83821 -20.45467 3.13048   1.000 26.28963  ?  40  TYR A HE2  1 
ATOM   498  H  HH   . TYR A 1 32  ? -39.76835 -20.30436 4.03748   1.000 29.71585  ?  40  TYR A HH   1 
ATOM   499  N  N    . PHE A 1 33  ? -46.50429 -21.16701 5.06074   1.000 17.80585  ?  41  PHE A N    1 
ATOM   500  C  CA   . PHE A 1 33  ? -46.56757 -19.70371 5.10888   1.000 16.40367  ?  41  PHE A CA   1 
ATOM   501  C  C    . PHE A 1 33  ? -47.28365 -19.15668 6.32953   1.000 17.59317  ?  41  PHE A C    1 
ATOM   502  O  O    . PHE A 1 33  ? -47.12720 -17.96074 6.62515   1.000 17.90437  ?  41  PHE A O    1 
ATOM   503  C  CB   . PHE A 1 33  ? -47.09109 -19.15762 3.78405   1.000 16.79434  ?  41  PHE A CB   1 
ATOM   504  C  CG   . PHE A 1 33  ? -46.07264 -19.28150 2.70168   1.000 17.19204  ?  41  PHE A CG   1 
ATOM   505  C  CD1  . PHE A 1 33  ? -44.97590 -18.44100 2.67658   1.000 18.47966  ?  41  PHE A CD1  1 
ATOM   506  C  CD2  . PHE A 1 33  ? -46.15542 -20.29581 1.76261   1.000 18.73361  ?  41  PHE A CD2  1 
ATOM   507  C  CE1  . PHE A 1 33  ? -43.99841 -18.60521 1.73520   1.000 18.30755  ?  41  PHE A CE1  1 
ATOM   508  C  CE2  . PHE A 1 33  ? -45.17584 -20.46937 0.82203   1.000 20.38234  ?  41  PHE A CE2  1 
ATOM   509  C  CZ   . PHE A 1 33  ? -44.08857 -19.60689 0.79749   1.000 17.82855  ?  41  PHE A CZ   1 
ATOM   510  H  H    . PHE A 1 33  ? -47.03461 -21.53241 4.49079   1.000 21.39014  ?  41  PHE A H    1 
ATOM   511  H  HA   . PHE A 1 33  ? -45.67001 -19.34512 5.19074   1.000 19.70753  ?  41  PHE A HA   1 
ATOM   512  H  HB2  . PHE A 1 33  ? -47.87962 -19.65725 3.52045   1.000 20.17633  ?  41  PHE A HB2  1 
ATOM   513  H  HB3  . PHE A 1 33  ? -47.31277 -18.21916 3.88923   1.000 20.17633  ?  41  PHE A HB3  1 
ATOM   514  H  HD1  . PHE A 1 33  ? -44.90236 -17.75894 3.30451   1.000 22.19871  ?  41  PHE A HD1  1 
ATOM   515  H  HD2  . PHE A 1 33  ? -46.88824 -20.86835 1.77098   1.000 22.50345  ?  41  PHE A HD2  1 
ATOM   516  H  HE1  . PHE A 1 33  ? -43.26487 -18.03357 1.72888   1.000 21.99218  ?  41  PHE A HE1  1 
ATOM   517  H  HE2  . PHE A 1 33  ? -45.23853 -21.16089 0.20334   1.000 24.48192  ?  41  PHE A HE2  1 
ATOM   518  H  HZ   . PHE A 1 33  ? -43.42636 -19.70570 0.15203   1.000 21.41738  ?  41  PHE A HZ   1 
ATOM   519  N  N    . SER A 1 34  ? -47.95897 -20.00332 7.09974   1.000 16.67609  ?  42  SER A N    1 
ATOM   520  C  CA   . SER A 1 34  ? -48.55509 -19.55214 8.34566   1.000 18.65016  ?  42  SER A CA   1 
ATOM   521  C  C    . SER A 1 34  ? -47.71153 -19.96074 9.56542   1.000 19.90624  ?  42  SER A C    1 
ATOM   522  O  O    . SER A 1 34  ? -48.18486 -19.84661 10.69921  1.000 20.31955  ?  42  SER A O    1 
ATOM   523  C  CB   . SER A 1 34  ? -49.95611 -20.13004 8.53232   1.000 19.73246  ?  42  SER A CB   1 
ATOM   524  O  OG   . SER A 1 34  ? -50.06021 -21.45818 8.07269   1.000 22.68627  ?  42  SER A OG   1 
ATOM   525  H  H    . SER A 1 34  ? -48.08258 -20.83540 6.92095   1.000 20.03442  ?  42  SER A H    1 
ATOM   526  H  HA   . SER A 1 34  ? -48.62788 -18.58601 8.29881   1.000 22.40331  ?  42  SER A HA   1 
ATOM   527  H  HB2  . SER A 1 34  ? -50.17378 -20.11257 9.47742   1.000 23.70207  ?  42  SER A HB2  1 
ATOM   528  H  HB3  . SER A 1 34  ? -50.58460 -19.58186 8.03694   1.000 23.70207  ?  42  SER A HB3  1 
ATOM   529  H  HG   . SER A 1 34  ? -50.85126 -21.72896 8.15339   1.000 27.24665  ?  42  SER A HG   1 
ATOM   530  N  N    . ARG A 1 35  ? -46.48619 -20.43484 9.35930   1.000 16.67410  ?  43  ARG A N    1 
ATOM   531  C  CA   . ARG A 1 35  ? -45.56740 -20.62489 10.47821  1.000 18.68948  ?  43  ARG A CA   1 
ATOM   532  C  C    . ARG A 1 35  ? -45.23587 -19.29113 11.12703  1.000 20.30691  ?  43  ARG A C    1 
ATOM   533  O  O    . ARG A 1 35  ? -45.21575 -18.25622 10.46860  1.000 18.78331  ?  43  ARG A O    1 
ATOM   534  C  CB   . ARG A 1 35  ? -44.27105 -21.27059 10.01344  1.000 19.81449  ?  43  ARG A CB   1 
ATOM   535  C  CG   . ARG A 1 35  ? -44.44191 -22.70677 9.60853   1.000 19.75157  ?  43  ARG A CG   1 
ATOM   536  C  CD   . ARG A 1 35  ? -43.23905 -23.26268 8.90491   1.000 23.63251  ?  43  ARG A CD   1 
ATOM   537  N  NE   . ARG A 1 35  ? -41.98476 -22.97901 9.55969   1.000 31.79130  ?  43  ARG A NE   1 
ATOM   538  C  CZ   . ARG A 1 35  ? -40.92491 -23.76929 9.47185   1.000 35.63234  ?  43  ARG A CZ   1 
ATOM   539  N  NH1  . ARG A 1 35  ? -40.93843 -24.86772 8.72544   1.000 35.55799  ?  43  ARG A NH1  1 
ATOM   540  N  NH2  . ARG A 1 35  ? -39.81841 -23.44192 10.13566  1.000 39.97636  ?  43  ARG A NH2  1 
ATOM   541  H  H    . ARG A 1 35  ? -46.16550 -20.65168 8.59135   1.000 20.03204  ?  43  ARG A H    1 
ATOM   542  H  HA   . ARG A 1 35  ? -45.99085 -21.20655 11.12880  1.000 22.45049  ?  43  ARG A HA   1 
ATOM   543  H  HB2  . ARG A 1 35  ? -43.93334 -20.78172 9.24672   1.000 23.80050  ?  43  ARG A HB2  1 
ATOM   544  H  HB3  . ARG A 1 35  ? -43.62640 -21.23855 10.73753  1.000 23.80050  ?  43  ARG A HB3  1 
ATOM   545  H  HG2  . ARG A 1 35  ? -44.59788 -23.24227 10.40214  1.000 23.72500  ?  43  ARG A HG2  1 
ATOM   546  H  HG3  . ARG A 1 35  ? -45.19929 -22.77727 9.00661   1.000 23.72500  ?  43  ARG A HG3  1 
ATOM   547  H  HD2  . ARG A 1 35  ? -43.32965 -24.22688 8.84993   1.000 28.38213  ?  43  ARG A HD2  1 
ATOM   548  H  HD3  . ARG A 1 35  ? -43.19727 -22.88203 8.01370   1.000 28.38213  ?  43  ARG A HD3  1 
ATOM   549  H  HE   . ARG A 1 35  ? -41.92210 -22.26176 10.03003  1.000 38.17268  ?  43  ARG A HE   1 
ATOM   550  H  HH11 . ARG A 1 35  ? -41.64613 -25.07979 8.28522   1.000 42.69271  ?  43  ARG A HH11 1 
ATOM   551  H  HH12 . ARG A 1 35  ? -40.23949 -25.36693 8.68232   1.000 42.69271  ?  43  ARG A HH12 1 
ATOM   552  H  HH21 . ARG A 1 35  ? -39.79884 -22.72655 10.61259  1.000 47.99475  ?  43  ARG A HH21 1 
ATOM   553  H  HH22 . ARG A 1 35  ? -39.12315 -23.94581 10.08757  1.000 47.99475  ?  43  ARG A HH22 1 
ATOM   554  N  N    . ASP A 1 36  ? -44.93691 -19.32965 12.42895  1.000 20.82048  ?  44  ASP A N    1 
ATOM   555  C  CA   . ASP A 1 36  ? -44.58388 -18.10454 13.14409  1.000 22.06274  ?  44  ASP A CA   1 
ATOM   556  C  C    . ASP A 1 36  ? -43.25469 -17.50608 12.69756  1.000 21.80676  ?  44  ASP A C    1 
ATOM   557  O  O    . ASP A 1 36  ? -42.96194 -16.35044 13.04167  1.000 24.41125  ?  44  ASP A O    1 
ATOM   558  C  CB   . ASP A 1 36  ? -44.63094 -18.30452 14.66783  1.000 26.41867  ?  44  ASP A CB   1 
ATOM   559  C  CG   . ASP A 1 36  ? -43.59811 -19.30015 15.17726  1.000 31.08312  ?  44  ASP A CG   1 
ATOM   560  O  OD1  . ASP A 1 36  ? -43.89698 -20.04516 16.13921  1.000 33.15107  ?  44  ASP A OD1  1 
ATOM   561  O  OD2  . ASP A 1 36  ? -42.49217 -19.37142 14.62873  1.000 34.81957  ?  44  ASP A OD2  1 
ATOM   562  H  H    . ASP A 1 36  ? -44.93187 -20.04165 12.91126  1.000 25.00770  ?  44  ASP A H    1 
ATOM   563  H  HA   . ASP A 1 36  ? -45.26480 -17.44181 12.94906  1.000 26.49841  ?  44  ASP A HA   1 
ATOM   564  H  HB2  . ASP A 1 36  ? -44.46283 -17.45331 15.10150  1.000 31.72552  ?  44  ASP A HB2  1 
ATOM   565  H  HB3  . ASP A 1 36  ? -45.50916 -18.63462 14.91413  1.000 31.72552  ?  44  ASP A HB3  1 
ATOM   566  N  N    . ASP A 1 37  ? -42.44559 -18.24461 11.93968  1.000 20.65328  ?  45  ASP A N    1 
ATOM   567  C  CA   . ASP A 1 37  ? -41.19969 -17.71762 11.40940  1.000 19.94885  ?  45  ASP A CA   1 
ATOM   568  C  C    . ASP A 1 37  ? -41.23237 -17.51390 9.89914   1.000 21.14529  ?  45  ASP A C    1 
ATOM   569  O  O    . ASP A 1 37  ? -40.16967 -17.37755 9.26556   1.000 20.68947  ?  45  ASP A O    1 
ATOM   570  C  CB   . ASP A 1 37  ? -40.00434 -18.57238 11.81245  1.000 23.11049  ?  45  ASP A CB   1 
ATOM   571  C  CG   . ASP A 1 37  ? -40.12773 -20.01414 11.35029  1.000 23.17010  ?  45  ASP A CG   1 
ATOM   572  O  OD1  . ASP A 1 37  ? -41.08819 -20.34655 10.62828  1.000 26.76216  ?  45  ASP A OD1  1 
ATOM   573  O  OD2  . ASP A 1 37  ? -39.20854 -20.80138 11.67014  1.000 27.99432  ?  45  ASP A OD2  1 
ATOM   574  H  H    . ASP A 1 37  ? -42.60234 -19.06101 11.71940  1.000 24.80706  ?  45  ASP A H    1 
ATOM   575  H  HA   . ASP A 1 37  ? -41.06882 -16.84613 11.81472  1.000 23.96173  ?  45  ASP A HA   1 
ATOM   576  H  HB2  . ASP A 1 37  ? -39.20128 -18.19872 11.41700  1.000 27.75571  ?  45  ASP A HB2  1 
ATOM   577  H  HB3  . ASP A 1 37  ? -39.92848 -18.57322 12.77948  1.000 27.75571  ?  45  ASP A HB3  1 
ATOM   578  N  N    . VAL A 1 38  ? -42.42848 -17.48013 9.32312   1.000 17.78243  ?  46  VAL A N    1 
ATOM   579  C  CA   . VAL A 1 38  ? -42.64722 -17.13045 7.93091   1.000 16.81809  ?  46  VAL A CA   1 
ATOM   580  C  C    . VAL A 1 38  ? -43.71971 -16.04805 7.86437   1.000 18.82771  ?  46  VAL A C    1 
ATOM   581  O  O    . VAL A 1 38  ? -43.47099 -14.93249 7.38191   1.000 19.23515  ?  46  VAL A O    1 
ATOM   582  C  CB   . VAL A 1 38  ? -42.99422 -18.37432 7.09263   1.000 18.20975  ?  46  VAL A CB   1 
ATOM   583  C  CG1  . VAL A 1 38  ? -43.18129 -17.95008 5.63373   1.000 18.77975  ?  46  VAL A CG1  1 
ATOM   584  C  CG2  . VAL A 1 38  ? -41.95944 -19.46144 7.26147   1.000 18.27878  ?  46  VAL A CG2  1 
ATOM   585  H  H    . VAL A 1 38  ? -43.15912 -17.66411 9.73774   1.000 21.36204  ?  46  VAL A H    1 
ATOM   586  H  HA   . VAL A 1 38  ? -41.83727 -16.75724 7.54934   1.000 20.20483  ?  46  VAL A HA   1 
ATOM   587  H  HB   . VAL A 1 38  ? -43.82660 -18.76506 7.40143   1.000 21.87482  ?  46  VAL A HB   1 
ATOM   588  H  HG11 . VAL A 1 38  ? -43.29634 -18.74275 5.08661   1.000 22.55882  ?  46  VAL A HG11 1 
ATOM   589  H  HG12 . VAL A 1 38  ? -43.96719 -17.38541 5.56734   1.000 22.55882  ?  46  VAL A HG12 1 
ATOM   590  H  HG13 . VAL A 1 38  ? -42.39611 -17.45952 5.34433   1.000 22.55882  ?  46  VAL A HG13 1 
ATOM   591  H  HG21 . VAL A 1 38  ? -42.12433 -20.15869 6.60761   1.000 21.95765  ?  46  VAL A HG21 1 
ATOM   592  H  HG22 . VAL A 1 38  ? -41.07734 -19.08177 7.12487   1.000 21.95765  ?  46  VAL A HG22 1 
ATOM   593  H  HG23 . VAL A 1 38  ? -42.02754 -19.82578 8.15787   1.000 21.95765  ?  46  VAL A HG23 1 
ATOM   594  N  N    . ALA A 1 39  ? -44.92997 -16.38392 8.29539   1.000 19.10371  ?  47  ALA A N    1 
ATOM   595  C  CA   . ALA A 1 39  ? -45.97171 -15.38719 8.58451   1.000 18.70457  ?  47  ALA A CA   1 
ATOM   596  C  C    . ALA A 1 39  ? -46.30182 -14.49119 7.38610   1.000 17.25394  ?  47  ALA A C    1 
ATOM   597  O  O    . ALA A 1 39  ? -46.35622 -13.25713 7.48561   1.000 19.37967  ?  47  ALA A O    1 
ATOM   598  C  CB   . ALA A 1 39  ? -45.63218 -14.55804 9.82712   1.000 20.11411  ?  47  ALA A CB   1 
ATOM   599  H  H    . ALA A 1 39  ? -45.18243 -17.19452 8.43247   1.000 22.94757  ?  47  ALA A H    1 
ATOM   600  H  HA   . ALA A 1 39  ? -46.78295 -15.88537 8.77057   1.000 22.46860  ?  47  ALA A HA   1 
ATOM   601  H  HB1  . ALA A 1 39  ? -46.35427 -13.93296 9.99666   1.000 24.16005  ?  47  ALA A HB1  1 
ATOM   602  H  HB2  . ALA A 1 39  ? -45.52577 -15.15398 10.58503  1.000 24.16005  ?  47  ALA A HB2  1 
ATOM   603  H  HB3  . ALA A 1 39  ? -44.80651 -14.07441 9.66813   1.000 24.16005  ?  47  ALA A HB3  1 
ATOM   604  N  N    . LEU A 1 40  ? -46.56811 -15.12660 6.24869   1.000 16.49252  ?  48  LEU A N    1 
ATOM   605  C  CA   . LEU A 1 40  ? -47.02075 -14.43770 5.04112   1.000 16.68663  ?  48  LEU A CA   1 
ATOM   606  C  C    . LEU A 1 40  ? -48.42346 -14.97799 4.78368   1.000 16.78692  ?  48  LEU A C    1 
ATOM   607  O  O    . LEU A 1 40  ? -48.60065 -15.98073 4.09856   1.000 18.07473  ?  48  LEU A O    1 
ATOM   608  C  CB   . LEU A 1 40  ? -46.07011 -14.67947 3.88579   1.000 18.77725  ?  48  LEU A CB   1 
ATOM   609  C  CG   . LEU A 1 40  ? -44.67226 -14.07677 4.07934   1.000 19.62726  ?  48  LEU A CG   1 
ATOM   610  C  CD1  . LEU A 1 40  ? -43.71934 -14.58329 3.03751   1.000 22.19932  ?  48  LEU A CD1  1 
ATOM   611  C  CD2  . LEU A 1 40  ? -44.77437 -12.55471 4.01837   1.000 19.27676  ?  48  LEU A CD2  1 
ATOM   612  H  H    . LEU A 1 40  ? -46.49233 -15.97744 6.14911   1.000 19.81415  ?  48  LEU A H    1 
ATOM   613  H  HA   . LEU A 1 40  ? -47.06071 -13.47716 5.17026   1.000 20.04708  ?  48  LEU A HA   1 
ATOM   614  H  HB2  . LEU A 1 40  ? -45.96415 -15.63647 3.76819   1.000 22.55582  ?  48  LEU A HB2  1 
ATOM   615  H  HB3  . LEU A 1 40  ? -46.45138 -14.28699 3.08487   1.000 22.55582  ?  48  LEU A HB3  1 
ATOM   616  H  HG   . LEU A 1 40  ? -44.31944 -14.34004 4.94369   1.000 23.57583  ?  48  LEU A HG   1 
ATOM   617  H  HD11 . LEU A 1 40  ? -42.85249 -14.17026 3.17488   1.000 26.66231  ?  48  LEU A HD11 1 
ATOM   618  H  HD12 . LEU A 1 40  ? -43.64357 -15.54675 3.12054   1.000 26.66231  ?  48  LEU A HD12 1 
ATOM   619  H  HD13 . LEU A 1 40  ? -44.06010 -14.35277 2.15907   1.000 26.66231  ?  48  LEU A HD13 1 
ATOM   620  H  HD21 . LEU A 1 40  ? -43.88295 -12.18150 3.93477   1.000 23.15523  ?  48  LEU A HD21 1 
ATOM   621  H  HD22 . LEU A 1 40  ? -45.31103 -12.30473 3.24999   1.000 23.15523  ?  48  LEU A HD22 1 
ATOM   622  H  HD23 . LEU A 1 40  ? -45.19248 -12.23338 4.83251   1.000 23.15523  ?  48  LEU A HD23 1 
ATOM   623  N  N    . ASN A 1 41  ? -49.42384 -14.29441 5.34126   1.000 18.04590  ?  49  ASN A N    1 
ATOM   624  C  CA   . ASN A 1 41  ? -50.76393 -14.87257 5.38792   1.000 18.66375  ?  49  ASN A CA   1 
ATOM   625  C  C    . ASN A 1 41  ? -51.41384 -14.92071 4.01640   1.000 17.61767  ?  49  ASN A C    1 
ATOM   626  O  O    . ASN A 1 41  ? -52.27997 -15.77219 3.78694   1.000 19.11726  ?  49  ASN A O    1 
ATOM   627  C  CB   . ASN A 1 41  ? -51.63207 -14.06496 6.35004   1.000 23.78752  ?  49  ASN A CB   1 
ATOM   628  C  CG   . ASN A 1 41  ? -51.22815 -14.25216 7.78918   1.000 32.21380  ?  49  ASN A CG   1 
ATOM   629  O  OD1  . ASN A 1 41  ? -50.62263 -15.26551 8.16136   1.000 34.19684  ?  49  ASN A OD1  1 
ATOM   630  N  ND2  . ASN A 1 41  ? -51.52138 -13.25945 8.60567   1.000 34.24463  ?  49  ASN A ND2  1 
ATOM   631  H  H    . ASN A 1 41  ? -49.35417 -13.51205 5.69149   1.000 21.67820  ?  49  ASN A H    1 
ATOM   632  H  HA   . ASN A 1 41  ? -50.69915 -15.78377 5.71411   1.000 22.41962  ?  49  ASN A HA   1 
ATOM   633  H  HB2  . ASN A 1 41  ? -51.55091 -13.12257 6.13505   1.000 28.56814  ?  49  ASN A HB2  1 
ATOM   634  H  HB3  . ASN A 1 41  ? -52.55521 -14.34804 6.25751   1.000 28.56814  ?  49  ASN A HB3  1 
ATOM   635  H  HD21 . ASN A 1 41  ? -51.92002 -12.55911 8.30532   1.000 41.11667  ?  49  ASN A HD21 1 
ATOM   636  H  HD22 . ASN A 1 41  ? -51.31402 -13.31223 9.43862   1.000 41.11667  ?  49  ASN A HD22 1 
ATOM   637  N  N    . ASN A 1 42  ? -51.05914 -13.99625 3.10338   1.000 17.38046  ?  50  ASN A N    1 
ATOM   638  C  CA   . ASN A 1 42  ? -51.67226 -14.05796 1.77786   1.000 18.07683  ?  50  ASN A CA   1 
ATOM   639  C  C    . ASN A 1 42  ? -51.00154 -15.08235 0.87001   1.000 17.60714  ?  50  ASN A C    1 
ATOM   640  O  O    . ASN A 1 42  ? -51.68311 -15.67597 0.03262   1.000 17.81077  ?  50  ASN A O    1 
ATOM   641  C  CB   . ASN A 1 42  ? -51.74808 -12.67972 1.13707   1.000 17.43489  ?  50  ASN A CB   1 
ATOM   642  C  CG   . ASN A 1 42  ? -52.68199 -11.76165 1.86771   1.000 20.64135  ?  50  ASN A CG   1 
ATOM   643  O  OD1  . ASN A 1 42  ? -53.81963 -12.12030 2.17704   1.000 22.40809  ?  50  ASN A OD1  1 
ATOM   644  N  ND2  . ASN A 1 42  ? -52.18457 -10.59255 2.21675   1.000 24.64300  ?  50  ASN A ND2  1 
ATOM   645  H  H    . ASN A 1 42  ? -50.49476 -13.35919 3.22682   1.000 20.87967  ?  50  ASN A H    1 
ATOM   646  H  HA   . ASN A 1 42  ? -52.59271 -14.34599 1.88130   1.000 21.71532  ?  50  ASN A HA   1 
ATOM   647  H  HB2  . ASN A 1 42  ? -50.86513 -12.27813 1.14195   1.000 20.94499  ?  50  ASN A HB2  1 
ATOM   648  H  HB3  . ASN A 1 42  ? -52.06625 -12.77042 0.22524   1.000 20.94499  ?  50  ASN A HB3  1 
ATOM   649  H  HD21 . ASN A 1 42  ? -52.67462 -10.02527 2.63823   1.000 29.59472  ?  50  ASN A HD21 1 
ATOM   650  H  HD22 . ASN A 1 42  ? -51.36986 -10.39676 2.02310   1.000 29.59472  ?  50  ASN A HD22 1 
ATOM   651  N  N    . PHE A 1 43  ? -49.69659 -15.33217 1.02977   1.000 16.05141  ?  51  PHE A N    1 
ATOM   652  C  CA   . PHE A 1 43  ? -49.10806 -16.52321 0.42087   1.000 16.15454  ?  51  PHE A CA   1 
ATOM   653  C  C    . PHE A 1 43  ? -49.82280 -17.77759 0.91691   1.000 15.64104  ?  51  PHE A C    1 
ATOM   654  O  O    . PHE A 1 43  ? -50.16137 -18.66719 0.13099   1.000 15.92345  ?  51  PHE A O    1 
ATOM   655  C  CB   . PHE A 1 43  ? -47.62188 -16.63385 0.77628   1.000 17.50159  ?  51  PHE A CB   1 
ATOM   656  C  CG   . PHE A 1 43  ? -46.69094 -15.83695 -0.11760  1.000 17.22870  ?  51  PHE A CG   1 
ATOM   657  C  CD1  . PHE A 1 43  ? -46.45129 -14.49920 0.12733   1.000 17.50794  ?  51  PHE A CD1  1 
ATOM   658  C  CD2  . PHE A 1 43  ? -46.00943 -16.44761 -1.16487  1.000 18.30041  ?  51  PHE A CD2  1 
ATOM   659  C  CE1  . PHE A 1 43  ? -45.58778 -13.77931 -0.66956  1.000 16.67633  ?  51  PHE A CE1  1 
ATOM   660  C  CE2  . PHE A 1 43  ? -45.12060 -15.73355 -1.94385  1.000 17.54863  ?  51  PHE A CE2  1 
ATOM   661  C  CZ   . PHE A 1 43  ? -44.90845 -14.40021 -1.69057  1.000 17.25013  ?  51  PHE A CZ   1 
ATOM   662  H  H    . PHE A 1 43  ? -49.14785 -14.84074 1.47359   1.000 19.28481  ?  51  PHE A H    1 
ATOM   663  H  HA   . PHE A 1 43  ? -49.19181 -16.44811 -0.54258  1.000 19.40857  ?  51  PHE A HA   1 
ATOM   664  H  HB2  . PHE A 1 43  ? -47.49814 -16.31470 1.68387   1.000 21.02503  ?  51  PHE A HB2  1 
ATOM   665  H  HB3  . PHE A 1 43  ? -47.35920 -17.56549 0.71349   1.000 21.02503  ?  51  PHE A HB3  1 
ATOM   666  H  HD1  . PHE A 1 43  ? -46.87792 -14.07895 0.83886   1.000 21.03265  ?  51  PHE A HD1  1 
ATOM   667  H  HD2  . PHE A 1 43  ? -46.15425 -17.34885 -1.34290  1.000 21.98361  ?  51  PHE A HD2  1 
ATOM   668  H  HE1  . PHE A 1 43  ? -45.46422 -12.87042 -0.51608  1.000 20.03472  ?  51  PHE A HE1  1 
ATOM   669  H  HE2  . PHE A 1 43  ? -44.66680 -16.15421 -2.63812  1.000 21.08148  ?  51  PHE A HE2  1 
ATOM   670  H  HZ   . PHE A 1 43  ? -44.30577 -13.91803 -2.20940  1.000 20.72327  ?  51  PHE A HZ   1 
ATOM   671  N  N    . SER A 1 44  ? -50.12558 -17.83318 2.21578   1.000 16.03294  ?  52  SER A N    1 
ATOM   672  C  CA   . SER A 1 44  ? -50.80308 -18.99961 2.76051   1.000 16.51144  ?  52  SER A CA   1 
ATOM   673  C  C    . SER A 1 44  ? -52.16556 -19.17876 2.11691   1.000 16.29181  ?  52  SER A C    1 
ATOM   674  O  O    . SER A 1 44  ? -52.48646 -20.26374 1.63162   1.000 16.38234  ?  52  SER A O    1 
ATOM   675  C  CB   . SER A 1 44  ? -50.91108 -18.86392 4.26984   1.000 17.89649  ?  52  SER A CB   1 
ATOM   676  O  OG   . SER A 1 44  ? -51.59683 -19.96757 4.83689   1.000 19.49506  ?  52  SER A OG   1 
ATOM   677  H  H    . SER A 1 44  ? -49.95096 -17.21722 2.78998   1.000 19.26264  ?  52  SER A H    1 
ATOM   678  H  HA   . SER A 1 44  ? -50.28433 -19.79737 2.57246   1.000 19.83684  ?  52  SER A HA   1 
ATOM   679  H  HB2  . SER A 1 44  ? -50.01806 -18.82184 4.64621   1.000 21.49891  ?  52  SER A HB2  1 
ATOM   680  H  HB3  . SER A 1 44  ? -51.39756 -18.05101 4.47820   1.000 21.49891  ?  52  SER A HB3  1 
ATOM   681  H  HG   . SER A 1 44  ? -51.12656 -20.66081 4.77463   1.000 23.41720  ?  52  SER A HG   1 
ATOM   682  N  N    . ARG A 1 45  ? -52.96359 -18.10795 2.06780   1.000 16.47582  ?  53  ARG A N    1 
ATOM   683  C  CA   . ARG A 1 45  ? -54.30075 -18.20734 1.48407   1.000 19.28288  ?  53  ARG A CA   1 
ATOM   684  C  C    . ARG A 1 45  ? -54.25003 -18.55079 -0.00197  1.000 17.84074  ?  53  ARG A C    1 
ATOM   685  O  O    . ARG A 1 45  ? -55.08711 -19.31625 -0.49925  1.000 16.90770  ?  53  ARG A O    1 
ATOM   686  C  CB   . ARG A 1 45  ? -55.06975 -16.90507 1.68471   1.000 21.26592  ?  53  ARG A CB   1 
ATOM   687  C  CG   . ARG A 1 45  ? -55.44779 -16.61597 3.10629   1.000 31.85821  ?  53  ARG A CG   1 
ATOM   688  C  CD   . ARG A 1 45  ? -56.32485 -15.35640 3.17560   1.000 39.45808  ?  53  ARG A CD   1 
ATOM   689  N  NE   . ARG A 1 45  ? -55.56435 -14.15779 3.50624   1.000 46.27692  ?  53  ARG A NE   1 
ATOM   690  C  CZ   . ARG A 1 45  ? -55.33279 -13.72139 4.73767   1.000 50.87827  ?  53  ARG A CZ   1 
ATOM   691  N  NH1  . ARG A 1 45  ? -55.78984 -14.36899 5.79942   1.000 53.81448  ?  53  ARG A NH1  1 
ATOM   692  N  NH2  . ARG A 1 45  ? -54.62906 -12.60356 4.90926   1.000 51.96291  ?  53  ARG A NH2  1 
ATOM   693  H  H    . ARG A 1 45  ? -52.75760 -17.32605 2.36073   1.000 19.79410  ?  53  ARG A H    1 
ATOM   694  H  HA   . ARG A 1 45  ? -54.77159 -18.91896 1.94538   1.000 23.16257  ?  53  ARG A HA   1 
ATOM   695  H  HB2  . ARG A 1 45  ? -54.51846 -16.17018 1.37341   1.000 25.54222  ?  53  ARG A HB2  1 
ATOM   696  H  HB3  . ARG A 1 45  ? -55.88897 -16.94769 1.16707   1.000 25.54222  ?  53  ARG A HB3  1 
ATOM   697  H  HG2  . ARG A 1 45  ? -55.94850 -17.36326 3.46926   1.000 38.25297  ?  53  ARG A HG2  1 
ATOM   698  H  HG3  . ARG A 1 45  ? -54.64709 -16.46606 3.63289   1.000 38.25297  ?  53  ARG A HG3  1 
ATOM   699  H  HD2  . ARG A 1 45  ? -56.74562 -15.21604 2.31296   1.000 47.37282  ?  53  ARG A HD2  1 
ATOM   700  H  HD3  . ARG A 1 45  ? -57.00215 -15.47975 3.85894   1.000 47.37282  ?  53  ARG A HD3  1 
ATOM   701  H  HE   . ARG A 1 45  ? -55.24153 -13.69907 2.85436   1.000 55.55542  ?  53  ARG A HE   1 
ATOM   702  H  HH11 . ARG A 1 45  ? -56.24819 -15.08972 5.69913   1.000 64.60050  ?  53  ARG A HH11 1 
ATOM   703  H  HH12 . ARG A 1 45  ? -55.62816 -14.06858 6.58886   1.000 64.60050  ?  53  ARG A HH12 1 
ATOM   704  H  HH21 . ARG A 1 45  ? -54.33091 -12.17406 4.22645   1.000 62.37861  ?  53  ARG A HH21 1 
ATOM   705  H  HH22 . ARG A 1 45  ? -54.47286 -12.31133 5.70287   1.000 62.37861  ?  53  ARG A HH22 1 
ATOM   706  N  N    . TYR A 1 46  ? -53.29340 -17.97135 -0.73410  1.000 17.45474  ?  54  TYR A N    1 
ATOM   707  C  CA   . TYR A 1 46  ? -53.14969 -18.24997 -2.16023  1.000 15.53936  ?  54  TYR A CA   1 
ATOM   708  C  C    . TYR A 1 46  ? -52.90127 -19.73833 -2.39652  1.000 15.49631  ?  54  TYR A C    1 
ATOM   709  O  O    . TYR A 1 46  ? -53.58260 -20.37718 -3.19840  1.000 16.60570  ?  54  TYR A O    1 
ATOM   710  C  CB   . TYR A 1 46  ? -51.98695 -17.43467 -2.72596  1.000 17.56548  ?  54  TYR A CB   1 
ATOM   711  C  CG   . TYR A 1 46  ? -51.68142 -17.71809 -4.17913  1.000 19.59667  ?  54  TYR A CG   1 
ATOM   712  C  CD1  . TYR A 1 46  ? -52.44656 -17.16198 -5.17436  1.000 19.47135  ?  54  TYR A CD1  1 
ATOM   713  C  CD2  . TYR A 1 46  ? -50.62418 -18.53599 -4.54725  1.000 21.10117  ?  54  TYR A CD2  1 
ATOM   714  C  CE1  . TYR A 1 46  ? -52.17237 -17.42068 -6.52041  1.000 21.64989  ?  54  TYR A CE1  1 
ATOM   715  C  CE2  . TYR A 1 46  ? -50.34170 -18.79009 -5.87002  1.000 22.29327  ?  54  TYR A CE2  1 
ATOM   716  C  CZ   . TYR A 1 46  ? -51.12143 -18.23365 -6.85986  1.000 22.05058  ?  54  TYR A CZ   1 
ATOM   717  O  OH   . TYR A 1 46  ? -50.81950 -18.50822 -8.18955  1.000 24.24867  ?  54  TYR A OH   1 
ATOM   718  H  H    . TYR A 1 46  ? -52.71564 -17.41322 -0.42702  1.000 20.96881  ?  54  TYR A H    1 
ATOM   719  H  HA   . TYR A 1 46  ? -53.96548 -17.99271 -2.61761  1.000 18.67036  ?  54  TYR A HA   1 
ATOM   720  H  HB2  . TYR A 1 46  ? -52.20256 -16.49207 -2.64896  1.000 21.10169  ?  54  TYR A HB2  1 
ATOM   721  H  HB3  . TYR A 1 46  ? -51.18865 -17.63539 -2.21280  1.000 21.10169  ?  54  TYR A HB3  1 
ATOM   722  H  HD1  . TYR A 1 46  ? -53.15706 -16.60549 -4.94982  1.000 23.38874  ?  54  TYR A HD1  1 
ATOM   723  H  HD2  . TYR A 1 46  ? -50.09485 -18.92094 -3.88655  1.000 25.34452  ?  54  TYR A HD2  1 
ATOM   724  H  HE1  . TYR A 1 46  ? -52.70180 -17.04208 -7.18468  1.000 26.00299  ?  54  TYR A HE1  1 
ATOM   725  H  HE2  . TYR A 1 46  ? -49.62444 -19.33743 -6.09556  1.000 26.77505  ?  54  TYR A HE2  1 
ATOM   726  H  HH   . TYR A 1 46  ? -51.36844 -18.12184 -8.69450  1.000 29.12153  ?  54  TYR A HH   1 
ATOM   727  N  N    . PHE A 1 47  ? -51.95977 -20.32475 -1.66104  1.000 17.39657  ?  55  PHE A N    1 
ATOM   728  C  CA   . PHE A 1 47  ? -51.68753 -21.73977 -1.86951  1.000 17.81180  ?  55  PHE A CA   1 
ATOM   729  C  C    . PHE A 1 47  ? -52.81231 -22.63003 -1.35087  1.000 16.20914  ?  55  PHE A C    1 
ATOM   730  O  O    . PHE A 1 47  ? -53.06115 -23.68083 -1.93715  1.000 16.38002  ?  55  PHE A O    1 
ATOM   731  C  CB   . PHE A 1 47  ? -50.34184 -22.10659 -1.27448  1.000 15.62694  ?  55  PHE A CB   1 
ATOM   732  C  CG   . PHE A 1 47  ? -49.17270 -21.54103 -2.04136  1.000 17.33983  ?  55  PHE A CG   1 
ATOM   733  C  CD1  . PHE A 1 47  ? -49.03185 -21.76648 -3.40259  1.000 19.94277  ?  55  PHE A CD1  1 
ATOM   734  C  CD2  . PHE A 1 47  ? -48.19907 -20.79032 -1.40046  1.000 18.19708  ?  55  PHE A CD2  1 
ATOM   735  C  CE1  . PHE A 1 47  ? -47.95117 -21.25332 -4.09653  1.000 22.31542  ?  55  PHE A CE1  1 
ATOM   736  C  CE2  . PHE A 1 47  ? -47.11263 -20.27837 -2.11369  1.000 19.96786  ?  55  PHE A CE2  1 
ATOM   737  C  CZ   . PHE A 1 47  ? -47.00765 -20.50390 -3.44151  1.000 21.29959  ?  55  PHE A CZ   1 
ATOM   738  H  H    . PHE A 1 47  ? -51.48306 -19.93929 -1.05791  1.000 20.89900  ?  55  PHE A H    1 
ATOM   739  H  HA   . PHE A 1 47  ? -51.62770 -21.91126 -2.82235  1.000 21.39728  ?  55  PHE A HA   1 
ATOM   740  H  HB2  . PHE A 1 47  ? -50.29651 -21.76434 -0.36800  1.000 18.77545  ?  55  PHE A HB2  1 
ATOM   741  H  HB3  . PHE A 1 47  ? -50.25469 -23.07265 -1.26911  1.000 18.77545  ?  55  PHE A HB3  1 
ATOM   742  H  HD1  . PHE A 1 47  ? -49.67150 -22.26851 -3.85393  1.000 23.95444  ?  55  PHE A HD1  1 
ATOM   743  H  HD2  . PHE A 1 47  ? -48.26995 -20.62619 -0.48781  1.000 21.85962  ?  55  PHE A HD2  1 
ATOM   744  H  HE1  . PHE A 1 47  ? -47.86423 -21.41654 -5.00796  1.000 26.80162  ?  55  PHE A HE1  1 
ATOM   745  H  HE2  . PHE A 1 47  ? -46.46082 -19.78170 -1.67396  1.000 23.98455  ?  55  PHE A HE2  1 
ATOM   746  H  HZ   . PHE A 1 47  ? -46.29038 -20.14841 -3.91485  1.000 25.58263  ?  55  PHE A HZ   1 
ATOM   747  N  N    . LEU A 1 48  ? -53.51445 -22.23239 -0.28745  1.000 16.25327  ?  56  LEU A N    1 
ATOM   748  C  CA   . LEU A 1 48  ? -54.65186 -23.03055 0.15599   1.000 16.98605  ?  56  LEU A CA   1 
ATOM   749  C  C    . LEU A 1 48  ? -55.72592 -23.06381 -0.92826  1.000 16.43312  ?  56  LEU A C    1 
ATOM   750  O  O    . LEU A 1 48  ? -56.31922 -24.11881 -1.21408  1.000 17.57196  ?  56  LEU A O    1 
ATOM   751  C  CB   . LEU A 1 48  ? -55.22258 -22.44203 1.43848   1.000 17.46366  ?  56  LEU A CB   1 
ATOM   752  C  CG   . LEU A 1 48  ? -56.22570 -23.33545 2.18232   1.000 21.78044  ?  56  LEU A CG   1 
ATOM   753  C  CD1  . LEU A 1 48  ? -55.62246 -24.65871 2.57302   1.000 25.49355  ?  56  LEU A CD1  1 
ATOM   754  C  CD2  . LEU A 1 48  ? -56.70504 -22.55186 3.40441   1.000 25.38601  ?  56  LEU A CD2  1 
ATOM   755  H  H    . LEU A 1 48  ? -53.35655 -21.52695 0.17839   1.000 19.52705  ?  56  LEU A H    1 
ATOM   756  H  HA   . LEU A 1 48  ? -54.36090 -23.93738 0.34009   1.000 20.40638  ?  56  LEU A HA   1 
ATOM   757  H  HB2  . LEU A 1 48  ? -54.48746 -22.26353 2.04562   1.000 20.97951  ?  56  LEU A HB2  1 
ATOM   758  H  HB3  . LEU A 1 48  ? -55.67891 -21.61501 1.21781   1.000 20.97951  ?  56  LEU A HB3  1 
ATOM   759  H  HG   . LEU A 1 48  ? -56.97651 -23.55815 1.60997   1.000 26.15965  ?  56  LEU A HG   1 
ATOM   760  H  HD11 . LEU A 1 48  ? -56.21313 -25.10159 3.20220   1.000 30.61537  ?  56  LEU A HD11 1 
ATOM   761  H  HD12 . LEU A 1 48  ? -55.51668 -25.20454 1.77817   1.000 30.61537  ?  56  LEU A HD12 1 
ATOM   762  H  HD13 . LEU A 1 48  ? -54.75805 -24.50254 2.98448   1.000 30.61537  ?  56  LEU A HD13 1 
ATOM   763  H  HD21 . LEU A 1 48  ? -57.23055 -23.13916 3.96993   1.000 30.48633  ?  56  LEU A HD21 1 
ATOM   764  H  HD22 . LEU A 1 48  ? -55.93321 -22.22565 3.89304   1.000 30.48633  ?  56  LEU A HD22 1 
ATOM   765  H  HD23 . LEU A 1 48  ? -57.24840 -21.80517 3.10757   1.000 30.48633  ?  56  LEU A HD23 1 
ATOM   766  N  N    . HIS A 1 49  ? -55.98064 -21.91877 -1.56715  1.000 17.17685  ?  57  HIS A N    1 
ATOM   767  C  CA   . HIS A 1 49  ? -56.94256 -21.90909 -2.65512  1.000 18.71429  ?  57  HIS A CA   1 
ATOM   768  C  C    . HIS A 1 49  ? -56.47861 -22.80189 -3.79729  1.000 18.30576  ?  57  HIS A C    1 
ATOM   769  O  O    . HIS A 1 49  ? -57.27291 -23.54939 -4.36641  1.000 18.04681  ?  57  HIS A O    1 
ATOM   770  C  CB   . HIS A 1 49  ? -57.16134 -20.48105 -3.13627  1.000 20.47808  ?  57  HIS A CB   1 
ATOM   771  C  CG   . HIS A 1 49  ? -58.14888 -20.37798 -4.25494  1.000 28.04181  ?  57  HIS A CG   1 
ATOM   772  N  ND1  . HIS A 1 49  ? -59.50308 -20.56320 -4.07055  1.000 35.32736  ?  57  HIS A ND1  1 
ATOM   773  C  CD2  . HIS A 1 49  ? -57.98013 -20.12047 -5.57133  1.000 33.00672  ?  57  HIS A CD2  1 
ATOM   774  C  CE1  . HIS A 1 49  ? -60.12655 -20.41612 -5.22721  1.000 35.68059  ?  57  HIS A CE1  1 
ATOM   775  N  NE2  . HIS A 1 49  ? -59.22384 -20.14773 -6.15386  1.000 35.78087  ?  57  HIS A NE2  1 
ATOM   776  H  H    . HIS A 1 49  ? -55.61788 -21.15913 -1.39122  1.000 20.63534  ?  57  HIS A H    1 
ATOM   777  H  HA   . HIS A 1 49  ? -57.79278 -22.24973 -2.33574  1.000 22.48027  ?  57  HIS A HA   1 
ATOM   778  H  HB2  . HIS A 1 49  ? -57.49247 -19.94815 -2.39650  1.000 24.59682  ?  57  HIS A HB2  1 
ATOM   779  H  HB3  . HIS A 1 49  ? -56.31641 -20.12323 -3.45084  1.000 24.59682  ?  57  HIS A HB3  1 
ATOM   780  H  HD1  . HIS A 1 49  ? -59.88254 -20.74578 -3.32069  1.000 42.41595  ?  57  HIS A HD1  1 
ATOM   781  H  HD2  . HIS A 1 49  ? -57.17259 -19.95560 -6.00216  1.000 39.63118  ?  57  HIS A HD2  1 
ATOM   782  H  HE1  . HIS A 1 49  ? -61.04340 -20.48907 -5.36491  1.000 42.83982  ?  57  HIS A HE1  1 
ATOM   783  N  N    . GLN A 1 50  ? -55.18830 -22.77509 -4.12379  1.000 17.28919  ?  58  GLN A N    1 
ATOM   784  C  CA   . GLN A 1 50  ? -54.70170 -23.63557 -5.18797  1.000 18.73570  ?  58  GLN A CA   1 
ATOM   785  C  C    . GLN A 1 50  ? -54.87346 -25.10761 -4.82177  1.000 16.76685  ?  58  GLN A C    1 
ATOM   786  O  O    . GLN A 1 50  ? -55.17062 -25.93367 -5.68140  1.000 16.50716  ?  58  GLN A O    1 
ATOM   787  C  CB   . GLN A 1 50  ? -53.24227 -23.32627 -5.51763  1.000 18.74291  ?  58  GLN A CB   1 
ATOM   788  C  CG   . GLN A 1 50  ? -52.98631 -21.90516 -5.95443  1.000 22.16854  ?  58  GLN A CG   1 
ATOM   789  C  CD   . GLN A 1 50  ? -53.77028 -21.51947 -7.20349  1.000 28.57346  ?  58  GLN A CD   1 
ATOM   790  O  OE1  . GLN A 1 50  ? -54.34962 -20.43802 -7.26603  1.000 36.13511  ?  58  GLN A OE1  1 
ATOM   791  N  NE2  . GLN A 1 50  ? -53.80390 -22.38982 -8.18011  1.000 29.64986  ?  58  GLN A NE2  1 
ATOM   792  H  H    . GLN A 1 50  ? -54.59166 -22.27943 -3.75240  1.000 20.77014  ?  58  GLN A H    1 
ATOM   793  H  HA   . GLN A 1 50  ? -55.21995 -23.45634 -5.98809  1.000 22.50595  ?  58  GLN A HA   1 
ATOM   794  H  HB2  . GLN A 1 50  ? -52.70551 -23.49065 -4.72657  1.000 22.51461  ?  58  GLN A HB2  1 
ATOM   795  H  HB3  . GLN A 1 50  ? -52.95818 -23.90985 -6.23848  1.000 22.51461  ?  58  GLN A HB3  1 
ATOM   796  H  HG2  . GLN A 1 50  ? -53.24672 -21.30338 -5.23962  1.000 26.62537  ?  58  GLN A HG2  1 
ATOM   797  H  HG3  . GLN A 1 50  ? -52.04190 -21.79994 -6.14915  1.000 26.62537  ?  58  GLN A HG3  1 
ATOM   798  H  HE21 . GLN A 1 50  ? -53.39423 -23.14175 -8.10027  1.000 35.60295  ?  58  GLN A HE21 1 
ATOM   799  H  HE22 . GLN A 1 50  ? -54.23565 -22.20987 -8.90178  1.000 35.60295  ?  58  GLN A HE22 1 
ATOM   800  N  N    . SER A 1 51  ? -54.69988 -25.45145 -3.54890  1.000 15.97912  ?  59  SER A N    1 
ATOM   801  C  CA   . SER A 1 51  ? -54.86851 -26.82880 -3.11020  1.000 16.81787  ?  59  SER A CA   1 
ATOM   802  C  C    . SER A 1 51  ? -56.29219 -27.29426 -3.35571  1.000 15.88895  ?  59  SER A C    1 
ATOM   803  O  O    . SER A 1 51  ? -56.53217 -28.40202 -3.84745  1.000 16.79359  ?  59  SER A O    1 
ATOM   804  C  CB   . SER A 1 51  ? -54.54300 -26.89957 -1.61987  1.000 15.57627  ?  59  SER A CB   1 
ATOM   805  O  OG   . SER A 1 51  ? -54.75422 -28.21957 -1.12826  1.000 16.92405  ?  59  SER A OG   1 
ATOM   806  H  H    . SER A 1 51  ? -54.48428 -24.90579 -2.92012  1.000 19.19806  ?  59  SER A H    1 
ATOM   807  H  HA   . SER A 1 51  ? -54.26868 -27.41390 -3.59883  1.000 20.20457  ?  59  SER A HA   1 
ATOM   808  H  HB2  . SER A 1 51  ? -53.61381 -26.65559 -1.48577  1.000 18.71464  ?  59  SER A HB2  1 
ATOM   809  H  HB3  . SER A 1 51  ? -55.11993 -26.28552 -1.13924  1.000 18.71464  ?  59  SER A HB3  1 
ATOM   810  H  HG   . SER A 1 51  ? -54.17892 -28.74100 -1.44878  1.000 20.33198  ?  59  SER A HG   1 
ATOM   811  N  N    . ARG A 1 52  ? -57.25514 -26.43330 -3.05401  1.000 16.12517  ?  60  ARG A N    1 
ATOM   812  C  CA   . ARG A 1 52  ? -58.64964 -26.81167 -3.22086  1.000 19.34314  ?  60  ARG A CA   1 
ATOM   813  C  C    . ARG A 1 52  ? -59.02242 -26.92269 -4.69445  1.000 17.78289  ?  60  ARG A C    1 
ATOM   814  O  O    . ARG A 1 52  ? -59.79895 -27.80883 -5.08004  1.000 18.24629  ?  60  ARG A O    1 
ATOM   815  C  CB   . ARG A 1 52  ? -59.52527 -25.81821 -2.47530  1.000 19.80230  ?  60  ARG A CB   1 
ATOM   816  C  CG   . ARG A 1 52  ? -59.34625 -25.99390 -0.96267  1.000 23.47276  ?  60  ARG A CG   1 
ATOM   817  C  CD   . ARG A 1 52  ? -59.65824 -24.77847 -0.16846  1.000 29.27223  ?  60  ARG A CD   1 
ATOM   818  N  NE   . ARG A 1 52  ? -59.49879 -25.08892 1.24832   1.000 28.71011  ?  60  ARG A NE   1 
ATOM   819  C  CZ   . ARG A 1 52  ? -59.79857 -24.26019 2.23449   1.000 32.16016  ?  60  ARG A CZ   1 
ATOM   820  N  NH1  . ARG A 1 52  ? -60.27269 -23.04683 1.99483   1.000 32.92333  ?  60  ARG A NH1  1 
ATOM   821  N  NH2  . ARG A 1 52  ? -59.62246 -24.65866 3.49312   1.000 36.33478  ?  60  ARG A NH2  1 
ATOM   822  H  H    . ARG A 1 52  ? -57.13026 -25.63645 -2.75563  1.000 19.37332  ?  60  ARG A H    1 
ATOM   823  H  HA   . ARG A 1 52  ? -58.80594 -27.68704 -2.83331  1.000 23.23488  ?  60  ARG A HA   1 
ATOM   824  H  HB2  . ARG A 1 52  ? -59.27090 -24.91380 -2.71662  1.000 23.78588  ?  60  ARG A HB2  1 
ATOM   825  H  HB3  . ARG A 1 52  ? -60.45649 -25.97186 -2.69920  1.000 23.78588  ?  60  ARG A HB3  1 
ATOM   826  H  HG2  . ARG A 1 52  ? -59.93608 -26.70189 -0.65974  1.000 28.19043  ?  60  ARG A HG2  1 
ATOM   827  H  HG3  . ARG A 1 52  ? -58.42305 -26.23215 -0.78425  1.000 28.19043  ?  60  ARG A HG3  1 
ATOM   828  H  HD2  . ARG A 1 52  ? -59.04888 -24.06208 -0.40587  1.000 35.14979  ?  60  ARG A HD2  1 
ATOM   829  H  HD3  . ARG A 1 52  ? -60.57391 -24.50261 -0.33077  1.000 35.14979  ?  60  ARG A HD3  1 
ATOM   830  H  HE   . ARG A 1 52  ? -59.18872 -25.86365 1.45630   1.000 34.47525  ?  60  ARG A HE   1 
ATOM   831  H  HH11 . ARG A 1 52  ? -60.39133 -22.78380 1.18468   1.000 39.53112  ?  60  ARG A HH11 1 
ATOM   832  H  HH12 . ARG A 1 52  ? -60.46189 -22.52206 2.64937   1.000 39.53112  ?  60  ARG A HH12 1 
ATOM   833  H  HH21 . ARG A 1 52  ? -59.31736 -25.44601 3.65619   1.000 43.62486  ?  60  ARG A HH21 1 
ATOM   834  H  HH22 . ARG A 1 52  ? -59.81385 -24.12860 4.14274   1.000 43.62486  ?  60  ARG A HH22 1 
ATOM   835  N  N    . GLU A 1 53  ? -58.42283 -26.08518 -5.54397  1.000 17.64739  ?  61  GLU A N    1 
ATOM   836  C  CA   . GLU A 1 53  ? -58.64850 -26.20873 -6.98325  1.000 17.25016  ?  61  GLU A CA   1 
ATOM   837  C  C    . GLU A 1 53  ? -58.13506 -27.54635 -7.51536  1.000 16.61815  ?  61  GLU A C    1 
ATOM   838  O  O    . GLU A 1 53  ? -58.77282 -28.16319 -8.37651  1.000 17.70560  ?  61  GLU A O    1 
ATOM   839  C  CB   . GLU A 1 53  ? -57.93782 -25.06953 -7.71914  1.000 20.78748  ?  61  GLU A CB   1 
ATOM   840  C  CG   . GLU A 1 53  ? -58.77611 -23.80747 -7.82920  1.000 27.52936  ?  61  GLU A CG   1 
ATOM   841  C  CD   . GLU A 1 53  ? -58.03333 -22.61093 -8.41222  1.000 34.26214  ?  61  GLU A CD   1 
ATOM   842  O  OE1  . GLU A 1 53  ? -56.85168 -22.74786 -8.79899  1.000 35.40991  ?  61  GLU A OE1  1 
ATOM   843  O  OE2  . GLU A 1 53  ? -58.65716 -21.53435 -8.53656  1.000 35.93435  ?  61  GLU A OE2  1 
ATOM   844  H  H    . GLU A 1 53  ? -57.89077 -25.44889 -5.31670  1.000 21.19999  ?  61  GLU A H    1 
ATOM   845  H  HA   . GLU A 1 53  ? -59.60248 -26.15154 -7.14924  1.000 20.72331  ?  61  GLU A HA   1 
ATOM   846  H  HB2  . GLU A 1 53  ? -57.12473 -24.84604 -7.23971  1.000 24.96810  ?  61  GLU A HB2  1 
ATOM   847  H  HB3  . GLU A 1 53  ? -57.72271 -25.36344 -8.61817  1.000 24.96810  ?  61  GLU A HB3  1 
ATOM   848  H  HG2  . GLU A 1 53  ? -59.53648 -23.98913 -8.40343  1.000 33.05835  ?  61  GLU A HG2  1 
ATOM   849  H  HG3  . GLU A 1 53  ? -59.08168 -23.55965 -6.94257  1.000 33.05835  ?  61  GLU A HG3  1 
ATOM   850  N  N    . GLU A 1 54  ? -56.99217 -28.01657 -7.01723  1.000 15.92837  ?  62  GLU A N    1 
ATOM   851  C  CA   . GLU A 1 54  ? -56.43187 -29.27406 -7.49541  1.000 18.27846  ?  62  GLU A CA   1 
ATOM   852  C  C    . GLU A 1 54  ? -57.29898 -30.45215 -7.06855  1.000 16.01198  ?  62  GLU A C    1 
ATOM   853  O  O    . GLU A 1 54  ? -57.42558 -31.42292 -7.81866  1.000 16.42483  ?  62  GLU A O    1 
ATOM   854  C  CB   . GLU A 1 54  ? -55.03234 -29.46004 -6.91154  1.000 18.73321  ?  62  GLU A CB   1 
ATOM   855  C  CG   . GLU A 1 54  ? -53.91236 -28.57278 -7.43277  1.000 19.91690  ?  62  GLU A CG   1 
ATOM   856  C  CD   . GLU A 1 54  ? -53.82922 -28.46024 -8.93061  1.000 21.31939  ?  62  GLU A CD   1 
ATOM   857  O  OE1  . GLU A 1 54  ? -54.12257 -29.43707 -9.61282  1.000 20.11251  ?  62  GLU A OE1  1 
ATOM   858  O  OE2  . GLU A 1 54  ? -53.33296 -27.41322 -9.44176  1.000 25.32808  ?  62  GLU A OE2  1 
ATOM   859  H  H    . GLU A 1 54  ? -56.52639 -27.62913 -6.40687  1.000 19.13716  ?  62  GLU A H    1 
ATOM   860  H  HA   . GLU A 1 54  ? -56.37610 -29.24972 -8.46350  1.000 21.95727  ?  62  GLU A HA   1 
ATOM   861  H  HB2  . GLU A 1 54  ? -55.08862 -29.30244 -5.95609  1.000 22.50297  ?  62  GLU A HB2  1 
ATOM   862  H  HB3  . GLU A 1 54  ? -54.76184 -30.37596 -7.08134  1.000 22.50297  ?  62  GLU A HB3  1 
ATOM   863  H  HG2  . GLU A 1 54  ? -54.04161 -27.67775 -7.08189  1.000 23.92340  ?  62  GLU A HG2  1 
ATOM   864  H  HG3  . GLU A 1 54  ? -53.06663 -28.93203 -7.12201  1.000 23.92340  ?  62  GLU A HG3  1 
ATOM   865  N  N    . THR A 1 55  ? -57.93415 -30.37351 -5.89810  1.000 15.09373  ?  63  THR A N    1 
ATOM   866  C  CA   . THR A 1 55  ? -58.88670 -31.41103 -5.51364  1.000 18.86690  ?  63  THR A CA   1 
ATOM   867  C  C    . THR A 1 55  ? -60.04165 -31.46817 -6.50502  1.000 18.38150  ?  63  THR A C    1 
ATOM   868  O  O    . THR A 1 55  ? -60.50219 -32.55576 -6.88119  1.000 18.06672  ?  63  THR A O    1 
ATOM   869  C  CB   . THR A 1 55  ? -59.41618 -31.11747 -4.11110  1.000 19.30401  ?  63  THR A CB   1 
ATOM   870  O  OG1  . THR A 1 55  ? -58.32773 -31.17055 -3.19181  1.000 21.27445  ?  63  THR A OG1  1 
ATOM   871  C  CG2  . THR A 1 55  ? -60.46665 -32.12664 -3.70314  1.000 19.68419  ?  63  THR A CG2  1 
ATOM   872  H  H    . THR A 1 55  ? -57.83318 -29.74332 -5.32168  1.000 18.13560  ?  63  THR A H    1 
ATOM   873  H  HA   . THR A 1 55  ? -58.44212 -32.27310 -5.50401  1.000 22.66340  ?  63  THR A HA   1 
ATOM   874  H  HB   . THR A 1 55  ? -59.82824 -30.23951 -4.09398  1.000 23.18793  ?  63  THR A HB   1 
ATOM   875  H  HG1  . THR A 1 55  ? -58.61332 -31.10681 -2.40442  1.000 25.55245  ?  63  THR A HG1  1 
ATOM   876  H  HG21 . THR A 1 55  ? -60.71119 -31.99375 -2.77392  1.000 23.64415  ?  63  THR A HG21 1 
ATOM   877  H  HG22 . THR A 1 55  ? -61.25783 -32.02337 -4.25474  1.000 23.64415  ?  63  THR A HG22 1 
ATOM   878  H  HG23 . THR A 1 55  ? -60.12206 -33.02677 -3.81234  1.000 23.64415  ?  63  THR A HG23 1 
ATOM   879  N  N    . GLU A 1 56  ? -60.53688 -30.30325 -6.92528  1.000 17.78636  ?  64  GLU A N    1 
ATOM   880  C  CA   . GLU A 1 56  ? -61.59174 -30.29322 -7.92436  1.000 19.00024  ?  64  GLU A CA   1 
ATOM   881  C  C    . GLU A 1 56  ? -61.09878 -30.90196 -9.23585  1.000 16.79084  ?  64  GLU A C    1 
ATOM   882  O  O    . GLU A 1 56  ? -61.85045 -31.60014 -9.92324  1.000 17.44905  ?  64  GLU A O    1 
ATOM   883  C  CB   . GLU A 1 56  ? -62.12243 -28.87430 -8.12102  1.000 20.88647  ?  64  GLU A CB   1 
ATOM   884  C  CG   . GLU A 1 56  ? -63.33366 -28.78979 -9.09225  1.000 33.19911  ?  64  GLU A CG   1 
ATOM   885  C  CD   . GLU A 1 56  ? -64.40096 -29.89122 -8.87618  1.000 43.32163  ?  64  GLU A CD   1 
ATOM   886  O  OE1  . GLU A 1 56  ? -64.96097 -29.99442 -7.76364  1.000 48.80154  ?  64  GLU A OE1  1 
ATOM   887  O  OE2  . GLU A 1 56  ? -64.70966 -30.64344 -9.83799  1.000 43.77429  ?  64  GLU A OE2  1 
ATOM   888  H  H    . GLU A 1 56  ? -60.28361 -29.52791 -6.65269  1.000 21.36675  ?  64  GLU A H    1 
ATOM   889  H  HA   . GLU A 1 56  ? -62.33697 -30.83035 -7.61289  1.000 22.82340  ?  64  GLU A HA   1 
ATOM   890  H  HB2  . GLU A 1 56  ? -62.40655 -28.52544 -7.26167  1.000 25.08689  ?  64  GLU A HB2  1 
ATOM   891  H  HB3  . GLU A 1 56  ? -61.41194 -28.32291 -8.48443  1.000 25.08689  ?  64  GLU A HB3  1 
ATOM   892  H  HG2  . GLU A 1 56  ? -63.76904 -27.93147 -8.97130  1.000 39.86205  ?  64  GLU A HG2  1 
ATOM   893  H  HG3  . GLU A 1 56  ? -63.00792 -28.87125 -10.00228 1.000 39.86205  ?  64  GLU A HG3  1 
ATOM   894  N  N    . HIS A 1 57  ? -59.84343 -30.64114 -9.61221  1.000 17.39879  ?  65  HIS A N    1 
ATOM   895  C  CA   A HIS A 1 57  ? -59.31658 -31.24131 -10.83903 0.718 18.13124  ?  65  HIS A CA   1 
ATOM   896  C  CA   B HIS A 1 57  ? -59.30713 -31.23951 -10.82820 0.282 18.50952  ?  65  HIS A CA   1 
ATOM   897  C  C    . HIS A 1 57  ? -59.34032 -32.76366 -10.73569 1.000 16.85328  ?  65  HIS A C    1 
ATOM   898  O  O    . HIS A 1 57  ? -59.63660 -33.46200 -11.71353 1.000 17.51036  ?  65  HIS A O    1 
ATOM   899  C  CB   A HIS A 1 57  ? -57.87093 -30.79556 -11.11509 0.718 17.45813  ?  65  HIS A CB   1 
ATOM   900  C  CB   B HIS A 1 57  ? -57.85861 -30.77139 -11.02438 0.282 19.69166  ?  65  HIS A CB   1 
ATOM   901  C  CG   A HIS A 1 57  ? -57.69241 -29.31828 -11.27633 0.718 16.36607  ?  65  HIS A CG   1 
ATOM   902  C  CG   B HIS A 1 57  ? -57.67640 -29.75939 -12.11562 0.282 21.25408  ?  65  HIS A CG   1 
ATOM   903  N  ND1  A HIS A 1 57  ? -56.44658 -28.72367 -11.32736 0.718 18.08553  ?  65  HIS A ND1  1 
ATOM   904  N  ND1  B HIS A 1 57  ? -56.43522 -29.28616 -12.48763 0.282 21.55681  ?  65  HIS A ND1  1 
ATOM   905  C  CD2  A HIS A 1 57  ? -58.59130 -28.31495 -11.37939 0.718 17.99463  ?  65  HIS A CD2  1 
ATOM   906  C  CD2  B HIS A 1 57  ? -58.56918 -29.14664 -12.92877 0.282 21.20554  ?  65  HIS A CD2  1 
ATOM   907  C  CE1  A HIS A 1 57  ? -56.59158 -27.41339 -11.42545 0.718 17.87101  ?  65  HIS A CE1  1 
ATOM   908  C  CE1  B HIS A 1 57  ? -56.57197 -28.42392 -13.47868 0.282 22.65935  ?  65  HIS A CE1  1 
ATOM   909  N  NE2  A HIS A 1 57  ? -57.88197 -27.14184 -11.46527 0.718 19.38871  ?  65  HIS A NE2  1 
ATOM   910  N  NE2  B HIS A 1 57  ? -57.85591 -28.32401 -13.76928 0.282 22.27610  ?  65  HIS A NE2  1 
ATOM   911  H  H    . HIS A 1 57  ? -59.29023 -30.13581 -9.19005  1.000 20.90166  ?  65  HIS A H    1 
ATOM   912  H  HA   . HIS A 1 57  ? -59.87091 -30.93852 -11.57520 1.000 22.23454  ?  65  HIS A HA   1 
ATOM   913  H  HB2  A HIS A 1 57  ? -57.31419 -31.07774 -10.37259 0.718 20.97288  ?  65  HIS A HB2  1 
ATOM   914  H  HB2  B HIS A 1 57  ? -57.54864 -30.36999 -10.19752 0.282 23.65311  ?  65  HIS A HB2  1 
ATOM   915  H  HB3  A HIS A 1 57  ? -57.56946 -31.21741 -11.93488 0.718 20.97288  ?  65  HIS A HB3  1 
ATOM   916  H  HB3  B HIS A 1 57  ? -57.31178 -31.54170 -11.24461 0.282 23.65311  ?  65  HIS A HB3  1 
ATOM   917  H  HD2  A HIS A 1 57  ? -59.51713 -28.40224 -11.39017 0.718 21.61668  ?  65  HIS A HD2  1 
ATOM   918  H  HD2  B HIS A 1 57  ? -59.49212 -29.26071 -12.92047 0.282 25.46976  ?  65  HIS A HD2  1 
ATOM   919  H  HE1  A HIS A 1 57  ? -55.90229 -26.79004 -11.46038 0.718 21.46833  ?  65  HIS A HE1  1 
ATOM   920  H  HE1  B HIS A 1 57  ? -55.88137 -27.96524 -13.90009 0.282 27.21434  ?  65  HIS A HE1  1 
ATOM   921  H  HE2  A HIS A 1 57  ? -58.22434 -26.35592 -11.53401 0.718 23.28957  ?  65  HIS A HE2  1 
ATOM   922  H  HE2  B HIS A 1 57  ? -58.19182 -27.82549 -14.38429 0.282 26.75444  ?  65  HIS A HE2  1 
ATOM   923  N  N    . ALA A 1 58  ? -59.01441 -33.29495 -9.56188  1.000 16.33024  ?  66  ALA A N    1 
ATOM   924  C  CA   . ALA A 1 58  ? -59.01478 -34.73206 -9.35963  1.000 16.58311  ?  66  ALA A CA   1 
ATOM   925  C  C    . ALA A 1 58  ? -60.42399 -35.27816 -9.42458  1.000 16.58353  ?  66  ALA A C    1 
ATOM   926  O  O    . ALA A 1 58  ? -60.66458 -36.30865 -10.05651 1.000 17.52920  ?  66  ALA A O    1 
ATOM   927  C  CB   . ALA A 1 58  ? -58.37907 -35.06424 -8.00861  1.000 15.92926  ?  66  ALA A CB   1 
ATOM   928  H  H    A ALA A 1 58  ? -58.78903 -32.84221 -8.86630  0.580 19.61941  ?  66  ALA A H    1 
ATOM   929  H  H    B ALA A 1 58  ? -58.78903 -32.84221 -8.86630  0.420 19.61941  ?  66  ALA A H    1 
ATOM   930  H  HA   . ALA A 1 58  ? -58.48706 -35.15443 -10.05535 1.000 19.92285  ?  66  ALA A HA   1 
ATOM   931  H  HB1  . ALA A 1 58  ? -58.40634 -36.02451 -7.87433  1.000 19.13823  ?  66  ALA A HB1  1 
ATOM   932  H  HB2  . ALA A 1 58  ? -57.45930 -34.75615 -8.00810  1.000 19.13823  ?  66  ALA A HB2  1 
ATOM   933  H  HB3  . ALA A 1 58  ? -58.87784 -34.61778 -7.30661  1.000 19.13823  ?  66  ALA A HB3  1 
ATOM   934  N  N    . GLU A 1 59  ? -61.36439 -34.59771 -8.76926  1.000 16.17910  ?  67  GLU A N    1 
ATOM   935  C  CA   . GLU A 1 59  ? -62.74010 -35.06483 -8.76060  1.000 18.11409  ?  67  GLU A CA   1 
ATOM   936  C  C    . GLU A 1 59  ? -63.35663 -35.09422 -10.14929 1.000 16.80014  ?  67  GLU A C    1 
ATOM   937  O  O    . GLU A 1 59  ? -64.16502 -35.98035 -10.44783 1.000 17.99999  ?  67  GLU A O    1 
ATOM   938  C  CB   . GLU A 1 59  ? -63.59781 -34.20465 -7.84251  1.000 19.21483  ?  67  GLU A CB   1 
ATOM   939  C  CG   . GLU A 1 59  ? -63.29092 -34.39069 -6.37032  1.000 21.76097  ?  67  GLU A CG   1 
ATOM   940  C  CD   . GLU A 1 59  ? -64.40650 -33.84485 -5.50288  1.000 26.93918  ?  67  GLU A CD   1 
ATOM   941  O  OE1  . GLU A 1 59  ? -65.57250 -34.27945 -5.68324  1.000 27.55034  ?  67  GLU A OE1  1 
ATOM   942  O  OE2  . GLU A 1 59  ? -64.14301 -32.97093 -4.65671  1.000 26.73510  ?  67  GLU A OE2  1 
ATOM   943  H  H    . GLU A 1 59  ? -61.22994 -33.87175 -8.32822  1.000 19.43804  ?  67  GLU A H    1 
ATOM   944  H  HA   . GLU A 1 59  ? -62.72778 -35.97204 -8.41750  1.000 21.76003  ?  67  GLU A HA   1 
ATOM   945  H  HB2  . GLU A 1 59  ? -63.44887 -33.27128 -8.06055  1.000 23.08091  ?  67  GLU A HB2  1 
ATOM   946  H  HB3  . GLU A 1 59  ? -64.53011 -34.43325 -7.98200  1.000 23.08091  ?  67  GLU A HB3  1 
ATOM   947  H  HG2  . GLU A 1 59  ? -63.18969 -35.33638 -6.17976  1.000 26.13629  ?  67  GLU A HG2  1 
ATOM   948  H  HG3  . GLU A 1 59  ? -62.47279 -33.91844 -6.15002  1.000 26.13629  ?  67  GLU A HG3  1 
ATOM   949  N  N    . LYS A 1 60  ? -63.06058 -34.09783 -10.99182 1.000 16.58670  ?  68  LYS A N    1 
ATOM   950  C  CA   . LYS A 1 60  ? -63.63120 -34.11677 -12.33500 1.000 18.07179  ?  68  LYS A CA   1 
ATOM   951  C  C    . LYS A 1 60  ? -63.16150 -35.33205 -13.12504 1.000 18.89906  ?  68  LYS A C    1 
ATOM   952  O  O    . LYS A 1 60  ? -63.91637 -35.89398 -13.92974 1.000 17.76064  ?  68  LYS A O    1 
ATOM   953  C  CB   . LYS A 1 60  ? -63.27149 -32.85251 -13.09520 1.000 21.59728  ?  68  LYS A CB   1 
ATOM   954  C  CG   . LYS A 1 60  ? -63.98535 -31.61624 -12.69482 1.000 29.41968  ?  68  LYS A CG   1 
ATOM   955  C  CD   . LYS A 1 60  ? -63.96412 -30.62701 -13.88877 1.000 33.27058  ?  68  LYS A CD   1 
ATOM   956  C  CE   . LYS A 1 60  ? -65.07694 -29.61320 -13.78080 1.000 37.96451  ?  68  LYS A CE   1 
ATOM   957  N  NZ   . LYS A 1 60  ? -65.05843 -28.97440 -12.42056 1.000 39.26741  ?  68  LYS A NZ   1 
ATOM   958  H  H    . LYS A 1 60  ? -62.55200 -33.42739 -10.81447 1.000 19.92715  ?  68  LYS A H    1 
ATOM   959  H  HA   . LYS A 1 60  ? -64.59607 -34.15435 -12.24270 1.000 21.70927  ?  68  LYS A HA   1 
ATOM   960  H  HB2  . LYS A 1 60  ? -62.32372 -32.68640 -12.97251 1.000 25.93986  ?  68  LYS A HB2  1 
ATOM   961  H  HB3  . LYS A 1 60  ? -63.46349 -33.00062 -14.03440 1.000 25.93986  ?  68  LYS A HB3  1 
ATOM   962  H  HG2  . LYS A 1 60  ? -64.90611 -31.82197 -12.46949 1.000 35.32674  ?  68  LYS A HG2  1 
ATOM   963  H  HG3  . LYS A 1 60  ? -63.54151 -31.20691 -11.93563 1.000 35.32674  ?  68  LYS A HG3  1 
ATOM   964  H  HD2  . LYS A 1 60  ? -63.11819 -30.15245 -13.89880 1.000 39.94781  ?  68  LYS A HD2  1 
ATOM   965  H  HD3  . LYS A 1 60  ? -64.07826 -31.11916 -14.71682 1.000 39.94781  ?  68  LYS A HD3  1 
ATOM   966  H  HE2  . LYS A 1 60  ? -64.95620 -28.92246 -14.45103 1.000 45.58054  ?  68  LYS A HE2  1 
ATOM   967  H  HE3  . LYS A 1 60  ? -65.93264 -30.05217 -13.90721 1.000 45.58054  ?  68  LYS A HE3  1 
ATOM   968  H  HZ1  . LYS A 1 60  ? -65.68368 -28.34286 -12.37232 1.000 47.14401  ?  68  LYS A HZ1  1 
ATOM   969  H  HZ2  . LYS A 1 60  ? -65.21745 -29.58669 -11.79453 1.000 47.14401  ?  68  LYS A HZ2  1 
ATOM   970  H  HZ3  . LYS A 1 60  ? -64.26293 -28.60549 -12.26831 1.000 47.14401  ?  68  LYS A HZ3  1 
ATOM   971  N  N    . LEU A 1 61  ? -61.90302 -35.73201 -12.93568 1.000 15.70975  ?  69  LEU A N    1 
ATOM   972  C  CA   . LEU A 1 61  ? -61.40281 -36.92916 -13.60551 1.000 16.86256  ?  69  LEU A CA   1 
ATOM   973  C  C    . LEU A 1 61  ? -62.03168 -38.19285 -13.03597 1.000 16.86329  ?  69  LEU A C    1 
ATOM   974  O  O    . LEU A 1 61  ? -62.27107 -39.16222 -13.77845 1.000 17.32240  ?  69  LEU A O    1 
ATOM   975  C  CB   . LEU A 1 61  ? -59.88614 -36.98099 -13.47426 1.000 16.26443  ?  69  LEU A CB   1 
ATOM   976  C  CG   . LEU A 1 61  ? -59.11330 -36.05897 -14.41754 1.000 20.29531  ?  69  LEU A CG   1 
ATOM   977  C  CD1  . LEU A 1 61  ? -57.77314 -35.69817 -13.75981 1.000 20.56726  ?  69  LEU A CD1  1 
ATOM   978  C  CD2  . LEU A 1 61  ? -58.90215 -36.70931 -15.78553 1.000 21.50479  ?  69  LEU A CD2  1 
ATOM   979  H  H    . LEU A 1 61  ? -61.32921 -35.33463 -12.43326 1.000 18.87482  ?  69  LEU A H    1 
ATOM   980  H  HA   . LEU A 1 61  ? -61.63302 -36.88620 -14.54682 1.000 20.25819  ?  69  LEU A HA   1 
ATOM   981  H  HB2  . LEU A 1 61  ? -59.65022 -36.73094 -12.56723 1.000 19.54044  ?  69  LEU A HB2  1 
ATOM   982  H  HB3  . LEU A 1 61  ? -59.59570 -37.88880 -13.65433 1.000 19.54044  ?  69  LEU A HB3  1 
ATOM   983  H  HG   . LEU A 1 61  ? -59.62059 -35.24770 -14.57689 1.000 24.37749  ?  69  LEU A HG   1 
ATOM   984  H  HD11 . LEU A 1 61  ? -57.26216 -35.14211 -14.36857 1.000 24.70383  ?  69  LEU A HD11 1 
ATOM   985  H  HD12 . LEU A 1 61  ? -57.94537 -35.21536 -12.93631 1.000 24.70383  ?  69  LEU A HD12 1 
ATOM   986  H  HD13 . LEU A 1 61  ? -57.28520 -36.51446 -13.56880 1.000 24.70383  ?  69  LEU A HD13 1 
ATOM   987  H  HD21 . LEU A 1 61  ? -58.44864 -36.07988 -16.36781 1.000 25.82887  ?  69  LEU A HD21 1 
ATOM   988  H  HD22 . LEU A 1 61  ? -58.36148 -37.50715 -15.67584 1.000 25.82887  ?  69  LEU A HD22 1 
ATOM   989  H  HD23 . LEU A 1 61  ? -59.76552 -36.94377 -16.16038 1.000 25.82887  ?  69  LEU A HD23 1 
ATOM   990  N  N    . MET A 1 62  ? -62.29944 -38.20993 -11.72395 1.000 17.65207  ?  70  MET A N    1 
ATOM   991  C  CA   . MET A 1 62  ? -63.01847 -39.33789 -11.16553 1.000 17.95765  ?  70  MET A CA   1 
ATOM   992  C  C    . MET A 1 62  ? -64.43684 -39.44553 -11.71504 1.000 16.94028  ?  70  MET A C    1 
ATOM   993  O  O    . MET A 1 62  ? -64.91926 -40.53579 -12.06213 1.000 17.87842  ?  70  MET A O    1 
ATOM   994  C  CB   . MET A 1 62  ? -62.99425 -39.45391 -9.64567  1.000 19.64032  ?  70  MET A CB   1 
ATOM   995  C  CG   . MET A 1 62  ? -61.64953 -39.44707 -8.96879  1.000 17.86241  ?  70  MET A CG   1 
ATOM   996  S  SD   . MET A 1 62  ? -61.58322 -38.89681 -7.26153  1.000 22.21111  ?  70  MET A SD   1 
ATOM   997  C  CE   . MET A 1 62  ? -62.13233 -40.32475 -6.44404  1.000 25.14493  ?  70  MET A CE   1 
ATOM   998  H  H    . MET A 1 62  ? -62.07956 -37.59747 -11.16168 1.000 21.20561  ?  70  MET A H    1 
ATOM   999  H  HA   . MET A 1 62  ? -62.50005 -40.10754 -11.44799 1.000 21.57230  ?  70  MET A HA   1 
ATOM   1000 H  HB2  . MET A 1 62  ? -63.49415 -38.70611 -9.28264  1.000 23.59151  ?  70  MET A HB2  1 
ATOM   1001 H  HB3  . MET A 1 62  ? -63.42472 -40.28905 -9.40458  1.000 23.59151  ?  70  MET A HB3  1 
ATOM   1002 H  HG2  . MET A 1 62  ? -61.30418 -40.35338 -8.98389  1.000 21.45801  ?  70  MET A HG2  1 
ATOM   1003 H  HG3  . MET A 1 62  ? -61.06495 -38.86082 -9.47424  1.000 21.45801  ?  70  MET A HG3  1 
ATOM   1004 H  HE1  . MET A 1 62  ? -62.17840 -40.14553 -5.49185  1.000 30.19704  ?  70  MET A HE1  1 
ATOM   1005 H  HE2  . MET A 1 62  ? -63.01123 -40.56207 -6.77886  1.000 30.19704  ?  70  MET A HE2  1 
ATOM   1006 H  HE3  . MET A 1 62  ? -61.50727 -41.04655 -6.61491  1.000 30.19704  ?  70  MET A HE3  1 
ATOM   1007 N  N    . ARG A 1 63  ? -65.10611 -38.30471 -11.85616 1.000 17.69765  ?  71  ARG A N    1 
ATOM   1008 C  CA   . ARG A 1 63  ? -66.42802 -38.29601 -12.46586 1.000 21.28056  ?  71  ARG A CA   1 
ATOM   1009 C  C    . ARG A 1 63  ? -66.36080 -38.79249 -13.90586 1.000 16.65898  ?  71  ARG A C    1 
ATOM   1010 O  O    . ARG A 1 63  ? -67.20506 -39.58516 -14.33505 1.000 17.88273  ?  71  ARG A O    1 
ATOM   1011 C  CB   . ARG A 1 63  ? -67.03945 -36.89871 -12.36812 1.000 22.69078  ?  71  ARG A CB   1 
ATOM   1012 C  CG   . ARG A 1 63  ? -68.30632 -36.73961 -13.11897 1.000 24.79276  ?  71  ARG A CG   1 
ATOM   1013 C  CD   . ARG A 1 63  ? -68.90361 -35.34995 -12.91694 1.000 28.77310  ?  71  ARG A CD   1 
ATOM   1014 N  NE   . ARG A 1 63  ? -69.91361 -35.03493 -13.92041 1.000 38.80580  ?  71  ARG A NE   1 
ATOM   1015 C  CZ   . ARG A 1 63  ? -71.22083 -35.10903 -13.72717 1.000 44.24998  ?  71  ARG A CZ   1 
ATOM   1016 N  NH1  . ARG A 1 63  ? -71.72573 -35.57121 -12.59346 1.000 48.47431  ?  71  ARG A NH1  1 
ATOM   1017 N  NH2  . ARG A 1 63  ? -72.04585 -34.70829 -14.69657 1.000 42.46494  ?  71  ARG A NH2  1 
ATOM   1018 H  H    . ARG A 1 63  ? -64.82000 -37.53196 -11.60998 1.000 21.26029  ?  71  ARG A H    1 
ATOM   1019 H  HA   . ARG A 1 63  ? -67.01685 -38.89504 -11.98074 1.000 25.55979  ?  71  ARG A HA   1 
ATOM   1020 H  HB2  . ARG A 1 63  ? -67.22308 -36.70461 -11.43565 1.000 27.25205  ?  71  ARG A HB2  1 
ATOM   1021 H  HB3  . ARG A 1 63  ? -66.40446 -36.25643 -12.72189 1.000 27.25205  ?  71  ARG A HB3  1 
ATOM   1022 H  HG2  . ARG A 1 63  ? -68.13669 -36.86409 -14.06588 1.000 29.77443  ?  71  ARG A HG2  1 
ATOM   1023 H  HG3  . ARG A 1 63  ? -68.94907 -37.39614 -12.80795 1.000 29.77443  ?  71  ARG A HG3  1 
ATOM   1024 H  HD2  . ARG A 1 63  ? -69.32200 -35.30690 -12.04287 1.000 34.55084  ?  71  ARG A HD2  1 
ATOM   1025 H  HD3  . ARG A 1 63  ? -68.19785 -34.68750 -12.97991 1.000 34.55084  ?  71  ARG A HD3  1 
ATOM   1026 H  HE   . ARG A 1 63  ? -69.63950 -34.78220 -14.69539 1.000 46.59008  ?  71  ARG A HE   1 
ATOM   1027 H  HH11 . ARG A 1 63  ? -71.20115 -35.83111 -11.96349 1.000 58.19229  ?  71  ARG A HH11 1 
ATOM   1028 H  HH12 . ARG A 1 63  ? -72.57820 -35.61144 -12.48721 1.000 58.19229  ?  71  ARG A HH12 1 
ATOM   1029 H  HH21 . ARG A 1 63  ? -71.72627 -34.40645 -15.43574 1.000 50.98104  ?  71  ARG A HH21 1 
ATOM   1030 H  HH22 . ARG A 1 63  ? -72.89708 -34.75188 -14.58210 1.000 50.98104  ?  71  ARG A HH22 1 
ATOM   1031 N  N    . LEU A 1 64  ? -65.32976 -38.38751 -14.65463 1.000 16.81633  ?  72  LEU A N    1 
ATOM   1032 C  CA   . LEU A 1 64  ? -65.17583 -38.85715 -16.03077 1.000 17.24110  ?  72  LEU A CA   1 
ATOM   1033 C  C    . LEU A 1 64  ? -65.02551 -40.37128 -16.09473 1.000 18.73548  ?  72  LEU A C    1 
ATOM   1034 O  O    . LEU A 1 64  ? -65.64098 -41.03492 -16.94249 1.000 19.77830  ?  72  LEU A O    1 
ATOM   1035 C  CB   . LEU A 1 64  ? -63.94137 -38.20173 -16.64921 1.000 19.92379  ?  72  LEU A CB   1 
ATOM   1036 C  CG   . LEU A 1 64  ? -63.50524 -38.71498 -18.01652 1.000 23.27729  ?  72  LEU A CG   1 
ATOM   1037 C  CD1  . LEU A 1 64  ? -64.44634 -38.16050 -19.05652 1.000 24.19175  ?  72  LEU A CD1  1 
ATOM   1038 C  CD2  . LEU A 1 64  ? -62.07622 -38.30650 -18.32341 1.000 24.48481  ?  72  LEU A CD2  1 
ATOM   1039 H  H    . LEU A 1 64  ? -64.71386 -37.84787 -14.39183 1.000 20.20272  ?  72  LEU A H    1 
ATOM   1040 H  HA   . LEU A 1 64  ? -65.96647 -38.60744 -16.53419 1.000 20.71244  ?  72  LEU A HA   1 
ATOM   1041 H  HB2  . LEU A 1 64  ? -64.12240 -37.25372 -16.74615 1.000 23.93167  ?  72  LEU A HB2  1 
ATOM   1042 H  HB3  . LEU A 1 64  ? -63.19553 -38.33687 -16.04393 1.000 23.93167  ?  72  LEU A HB3  1 
ATOM   1043 H  HG   . LEU A 1 64  ? -63.53362 -39.68446 -18.03084 1.000 27.95586  ?  72  LEU A HG   1 
ATOM   1044 H  HD11 . LEU A 1 64  ? -64.21069 -38.52699 -19.92315 1.000 29.05322  ?  72  LEU A HD11 1 
ATOM   1045 H  HD12 . LEU A 1 64  ? -65.35454 -38.41214 -18.82683 1.000 29.05322  ?  72  LEU A HD12 1 
ATOM   1046 H  HD13 . LEU A 1 64  ? -64.36497 -37.19406 -19.07286 1.000 29.05322  ?  72  LEU A HD13 1 
ATOM   1047 H  HD21 . LEU A 1 64  ? -61.99122 -38.14651 -19.27634 1.000 29.40489  ?  72  LEU A HD21 1 
ATOM   1048 H  HD22 . LEU A 1 64  ? -61.86678 -37.49678 -17.83208 1.000 29.40489  ?  72  LEU A HD22 1 
ATOM   1049 H  HD23 . LEU A 1 64  ? -61.47856 -39.02119 -18.05339 1.000 29.40489  ?  72  LEU A HD23 1 
ATOM   1050 N  N    . GLN A 1 65  ? -64.23056 -40.93796 -15.19615 1.000 20.23485  ?  73  GLN A N    1 
ATOM   1051 C  CA   . GLN A 1 65  ? -64.07176 -42.38473 -15.15266 1.000 20.80154  ?  73  GLN A CA   1 
ATOM   1052 C  C    . GLN A 1 65  ? -65.41851 -43.06217 -14.93805 1.000 18.45740  ?  73  GLN A C    1 
ATOM   1053 O  O    . GLN A 1 65  ? -65.78376 -44.00414 -15.65372 1.000 22.38274  ?  73  GLN A O    1 
ATOM   1054 C  CB   . GLN A 1 65  ? -63.08723 -42.70609 -14.03267 1.000 23.49816  ?  73  GLN A CB   1 
ATOM   1055 C  CG   . GLN A 1 65  ? -62.45476 -44.06186 -14.06651 1.000 25.63403  ?  73  GLN A CG   1 
ATOM   1056 C  CD   . GLN A 1 65  ? -61.32876 -44.16915 -15.09195 1.000 23.98025  ?  73  GLN A CD   1 
ATOM   1057 O  OE1  . GLN A 1 65  ? -61.59584 -44.25127 -16.26512 1.000 25.83830  ?  73  GLN A OE1  1 
ATOM   1058 N  NE2  . GLN A 1 65  ? -60.08054 -44.23083 -14.63671 1.000 21.14820  ?  73  GLN A NE2  1 
ATOM   1059 H  H    . GLN A 1 65  ? -63.77500 -40.51126 -14.60455 1.000 24.30494  ?  73  GLN A H    1 
ATOM   1060 H  HA   . GLN A 1 65  ? -63.71561 -42.72564 -15.98802 1.000 24.98497  ?  73  GLN A HA   1 
ATOM   1061 H  HB2  . GLN A 1 65  ? -62.36809 -42.05613 -14.06853 1.000 28.22091  ?  73  GLN A HB2  1 
ATOM   1062 H  HB3  . GLN A 1 65  ? -63.55832 -42.63336 -13.18787 1.000 28.22091  ?  73  GLN A HB3  1 
ATOM   1063 H  HG2  . GLN A 1 65  ? -62.08276 -44.25803 -13.19242 1.000 30.78396  ?  73  GLN A HG2  1 
ATOM   1064 H  HG3  . GLN A 1 65  ? -63.13050 -44.71930 -14.29464 1.000 30.78396  ?  73  GLN A HG3  1 
ATOM   1065 H  HE21 . GLN A 1 65  ? -59.93001 -44.20979 -13.79025 1.000 25.40095  ?  73  GLN A HE21 1 
ATOM   1066 H  HE22 . GLN A 1 65  ? -59.42399 -44.29174 -15.18883 1.000 25.40095  ?  73  GLN A HE22 1 
ATOM   1067 N  N    . ASN A 1 66  ? -66.20529 -42.55517 -13.99679 1.000 17.59453  ?  74  ASN A N    1 
ATOM   1068 C  CA   . ASN A 1 66  ? -67.53864 -43.10850 -13.76145 1.000 20.19609  ?  74  ASN A CA   1 
ATOM   1069 C  C    . ASN A 1 66  ? -68.44735 -42.94169 -14.97447 1.000 17.21511  ?  74  ASN A C    1 
ATOM   1070 O  O    . ASN A 1 66  ? -69.19456 -43.86427 -15.34524 1.000 19.19727  ?  74  ASN A O    1 
ATOM   1071 C  CB   . ASN A 1 66  ? -68.13871 -42.42892 -12.52929 1.000 23.15678  ?  74  ASN A CB   1 
ATOM   1072 C  CG   . ASN A 1 66  ? -67.70484 -43.08768 -11.24326 1.000 27.75760  ?  74  ASN A CG   1 
ATOM   1073 O  OD1  . ASN A 1 66  ? -67.04262 -44.13540 -11.26452 1.000 29.37949  ?  74  ASN A OD1  1 
ATOM   1074 N  ND2  . ASN A 1 66  ? -67.96702 -42.43159 -10.14894 1.000 26.31327  ?  74  ASN A ND2  1 
ATOM   1075 H  H    . ASN A 1 66  ? -65.99676 -41.89732 -13.48362 1.000 21.13655  ?  74  ASN A H    1 
ATOM   1076 H  HA   . ASN A 1 66  ? -67.46791 -44.06128 -13.59380 1.000 24.25843  ?  74  ASN A HA   1 
ATOM   1077 H  HB2  . ASN A 1 66  ? -67.85151 -41.50271 -12.50575 1.000 27.81126  ?  74  ASN A HB2  1 
ATOM   1078 H  HB3  . ASN A 1 66  ? -69.10625 -42.47505 -12.58052 1.000 27.81126  ?  74  ASN A HB3  1 
ATOM   1079 H  HD21 . ASN A 1 66  ? -68.36497 -41.67025 -10.18890 1.000 31.59904  ?  74  ASN A HD21 1 
ATOM   1080 H  HD22 . ASN A 1 66  ? -67.74217 -42.75976 -9.38648  1.000 31.59904  ?  74  ASN A HD22 1 
ATOM   1081 N  N    . GLN A 1 67  ? -68.40976 -41.76979 -15.59588 1.000 18.96123  ?  75  GLN A N    1 
ATOM   1082 C  CA   . GLN A 1 67  ? -69.30516 -41.50187 -16.70671 1.000 20.31043  ?  75  GLN A CA   1 
ATOM   1083 C  C    . GLN A 1 67  ? -69.00898 -42.42486 -17.87455 1.000 20.20747  ?  75  GLN A C    1 
ATOM   1084 O  O    . GLN A 1 67  ? -69.92765 -42.86320 -18.57525 1.000 22.74727  ?  75  GLN A O    1 
ATOM   1085 C  CB   . GLN A 1 67  ? -69.17460 -40.05354 -17.16440 1.000 22.47158  ?  75  GLN A CB   1 
ATOM   1086 C  CG   . GLN A 1 67  ? -69.82242 -39.04453 -16.25446 1.000 28.50463  ?  75  GLN A CG   1 
ATOM   1087 C  CD   . GLN A 1 67  ? -69.59097 -37.62823 -16.73522 1.000 34.13080  ?  75  GLN A CD   1 
ATOM   1088 O  OE1  . GLN A 1 67  ? -70.50292 -36.80804 -16.76701 1.000 36.20156  ?  75  GLN A OE1  1 
ATOM   1089 N  NE2  . GLN A 1 67  ? -68.36426 -37.34247 -17.12840 1.000 34.06312  ?  75  GLN A NE2  1 
ATOM   1090 H  H    . GLN A 1 67  ? -67.88124 -41.12163 -15.39548 1.000 22.77660  ?  75  GLN A H    1 
ATOM   1091 H  HA   . GLN A 1 67  ? -70.21532 -41.64733 -16.40445 1.000 24.39564  ?  75  GLN A HA   1 
ATOM   1092 H  HB2  . GLN A 1 67  ? -68.23188 -39.83236 -17.22143 1.000 26.98901  ?  75  GLN A HB2  1 
ATOM   1093 H  HB3  . GLN A 1 67  ? -69.58887 -39.96785 -18.03729 1.000 26.98901  ?  75  GLN A HB3  1 
ATOM   1094 H  HG2  . GLN A 1 67  ? -70.77875 -39.20466 -16.22804 1.000 34.22867  ?  75  GLN A HG2  1 
ATOM   1095 H  HG3  . GLN A 1 67  ? -69.44718 -39.12896 -15.36398 1.000 34.22867  ?  75  GLN A HG3  1 
ATOM   1096 H  HE21 . GLN A 1 67  ? -67.75252 -37.94634 -17.10173 1.000 40.89886  ?  75  GLN A HE21 1 
ATOM   1097 H  HE22 . GLN A 1 67  ? -68.17647 -36.55235 -17.41132 1.000 40.89886  ?  75  GLN A HE22 1 
ATOM   1098 N  N    . ARG A 1 68  ? -67.73074 -42.72769 -18.10002 1.000 18.38284  ?  76  ARG A N    1 
ATOM   1099 C  CA   . ARG A 1 68  ? -67.31433 -43.53176 -19.24042 1.000 20.57151  ?  76  ARG A CA   1 
ATOM   1100 C  C    . ARG A 1 68  ? -67.29437 -45.02205 -18.92178 1.000 20.58884  ?  76  ARG A C    1 
ATOM   1101 O  O    . ARG A 1 68  ? -67.04110 -45.83709 -19.81929 1.000 22.07469  ?  76  ARG A O    1 
ATOM   1102 C  CB   . ARG A 1 68  ? -65.94291 -43.06997 -19.76630 1.000 22.23214  ?  76  ARG A CB   1 
ATOM   1103 C  CG   . ARG A 1 68  ? -65.88576 -41.63824 -20.32163 1.000 24.81452  ?  76  ARG A CG   1 
ATOM   1104 C  CD   . ARG A 1 68  ? -66.61553 -41.45853 -21.65481 1.000 27.21560  ?  76  ARG A CD   1 
ATOM   1105 N  NE   . ARG A 1 68  ? -66.14724 -42.35442 -22.70838 1.000 27.02220  ?  76  ARG A NE   1 
ATOM   1106 C  CZ   . ARG A 1 68  ? -65.14761 -42.07857 -23.53242 1.000 27.70038  ?  76  ARG A CZ   1 
ATOM   1107 N  NH1  . ARG A 1 68  ? -64.49201 -40.93099 -23.45898 1.000 25.20485  ?  76  ARG A NH1  1 
ATOM   1108 N  NH2  . ARG A 1 68  ? -64.79317 -42.98159 -24.44876 1.000 27.90128  ?  76  ARG A NH2  1 
ATOM   1109 H  H    . ARG A 1 68  ? -67.08005 -42.47412 -17.59811 1.000 22.08253  ?  76  ARG A H    1 
ATOM   1110 H  HA   . ARG A 1 68  ? -67.94335 -43.39432 -19.96591 1.000 24.70893  ?  76  ARG A HA   1 
ATOM   1111 H  HB2  . ARG A 1 68  ? -65.30527 -43.12082 -19.03711 1.000 26.70169  ?  76  ARG A HB2  1 
ATOM   1112 H  HB3  . ARG A 1 68  ? -65.67581 -43.66677 -20.48281 1.000 26.70169  ?  76  ARG A HB3  1 
ATOM   1113 H  HG2  . ARG A 1 68  ? -66.29496 -41.03796 -19.67889 1.000 29.80054  ?  76  ARG A HG2  1 
ATOM   1114 H  HG3  . ARG A 1 68  ? -64.95714 -41.39402 -20.45920 1.000 29.80054  ?  76  ARG A HG3  1 
ATOM   1115 H  HD2  . ARG A 1 68  ? -67.56046 -41.63064 -21.51923 1.000 32.68184  ?  76  ARG A HD2  1 
ATOM   1116 H  HD3  . ARG A 1 68  ? -66.48494 -40.54777 -21.96199 1.000 32.68184  ?  76  ARG A HD3  1 
ATOM   1117 H  HE   . ARG A 1 68  ? -66.54654 -43.11059 -22.79986 1.000 32.44976  ?  76  ARG A HE   1 
ATOM   1118 H  HH11 . ARG A 1 68  ? -64.71255 -40.34686 -22.86759 1.000 30.26894  ?  76  ARG A HH11 1 
ATOM   1119 H  HH12 . ARG A 1 68  ? -63.84553 -40.76954 -24.00267 1.000 30.26894  ?  76  ARG A HH12 1 
ATOM   1120 H  HH21 . ARG A 1 68  ? -65.21218 -43.73095 -24.49856 1.000 33.50465  ?  76  ARG A HH21 1 
ATOM   1121 H  HH22 . ARG A 1 68  ? -64.14573 -42.81419 -24.98950 1.000 33.50465  ?  76  ARG A HH22 1 
ATOM   1122 N  N    . GLY A 1 69  ? -67.59951 -45.40226 -17.68561 1.000 22.72184  ?  77  GLY A N    1 
ATOM   1123 C  CA   . GLY A 1 69  ? -67.63361 -46.80125 -17.33404 1.000 25.22439  ?  77  GLY A CA   1 
ATOM   1124 C  C    . GLY A 1 69  ? -66.29721 -47.39545 -16.96748 1.000 24.50971  ?  77  GLY A C    1 
ATOM   1125 O  O    . GLY A 1 69  ? -66.16290 -48.62740 -16.94152 1.000 27.64875  ?  77  GLY A O    1 
ATOM   1126 H  H    . GLY A 1 69  ? -67.78873 -44.86591 -17.04053 1.000 27.28932  ?  77  GLY A H    1 
ATOM   1127 H  HA2  . GLY A 1 69  ? -68.22674 -46.91639 -16.57521 1.000 30.29239  ?  77  GLY A HA2  1 
ATOM   1128 H  HA3  . GLY A 1 69  ? -67.98357 -47.30230 -18.08729 1.000 30.29239  ?  77  GLY A HA3  1 
ATOM   1129 N  N    . GLY A 1 70  ? -65.30812 -46.56792 -16.70527 1.000 23.15311  ?  78  GLY A N    1 
ATOM   1130 C  CA   . GLY A 1 70  ? -64.04466 -47.04674 -16.20785 1.000 22.83630  ?  78  GLY A CA   1 
ATOM   1131 C  C    . GLY A 1 70  ? -64.09540 -47.30857 -14.72210 1.000 24.88344  ?  78  GLY A C    1 
ATOM   1132 O  O    . GLY A 1 70  ? -65.07130 -47.00079 -14.03304 1.000 27.94084  ?  78  GLY A O    1 
ATOM   1133 H  H    . GLY A 1 70  ? -65.34564 -45.71500 -16.80876 1.000 27.80685  ?  78  GLY A H    1 
ATOM   1134 H  HA2  . GLY A 1 70  ? -63.81067 -47.87270 -16.65945 1.000 27.42668  ?  78  GLY A HA2  1 
ATOM   1135 H  HA3  . GLY A 1 70  ? -63.35643 -46.38573 -16.38190 1.000 27.42668  ?  78  GLY A HA3  1 
ATOM   1136 N  N    . ARG A 1 71  ? -63.03900 -47.93850 -14.23356 1.000 23.35236  ?  79  ARG A N    1 
ATOM   1137 C  CA   . ARG A 1 71  ? -62.89144 -48.25146 -12.82013 1.000 25.51152  ?  79  ARG A CA   1 
ATOM   1138 C  C    . ARG A 1 71  ? -61.82461 -47.34814 -12.22541 1.000 22.99298  ?  79  ARG A C    1 
ATOM   1139 O  O    . ARG A 1 71  ? -60.66867 -47.37941 -12.66366 1.000 21.19433  ?  79  ARG A O    1 
ATOM   1140 C  CB   . ARG A 1 71  ? -62.52659 -49.71852 -12.60942 1.000 33.01581  ?  79  ARG A CB   1 
ATOM   1141 C  CG   . ARG A 1 71  ? -63.67131 -50.66724 -12.95224 1.000 40.69740  ?  79  ARG A CG   1 
ATOM   1142 C  CD   . ARG A 1 71  ? -64.71247 -50.73027 -11.81690 1.000 46.65637  ?  79  ARG A CD   1 
ATOM   1143 N  NE   . ARG A 1 71  ? -64.10920 -50.82013 -10.48831 1.000 49.31877  ?  79  ARG A NE   1 
ATOM   1144 C  CZ   . ARG A 1 71  ? -63.96737 -51.93991 -9.78720  1.000 51.17230  ?  79  ARG A CZ   1 
ATOM   1145 N  NH1  . ARG A 1 71  ? -64.43017 -53.09850 -10.22899 1.000 52.77068  ?  79  ARG A NH1  1 
ATOM   1146 N  NH2  . ARG A 1 71  ? -63.35569 -51.89391 -8.60649  1.000 51.13474  ?  79  ARG A NH2  1 
ATOM   1147 H  H    . ARG A 1 71  ? -62.37609 -48.20222 -14.71378 1.000 28.04595  ?  79  ARG A H    1 
ATOM   1148 H  HA   . ARG A 1 71  ? -63.73198 -48.08014 -12.36731 1.000 30.63695  ?  79  ARG A HA   1 
ATOM   1149 H  HB2  . ARG A 1 71  ? -61.77216 -49.94075 -13.17717 1.000 39.64209  ?  79  ARG A HB2  1 
ATOM   1150 H  HB3  . ARG A 1 71  ? -62.29237 -49.85479 -11.67804 1.000 39.64209  ?  79  ARG A HB3  1 
ATOM   1151 H  HG2  . ARG A 1 71  ? -64.11584 -50.35690 -13.75660 1.000 48.86000  ?  79  ARG A HG2  1 
ATOM   1152 H  HG3  . ARG A 1 71  ? -63.31803 -51.55978 -13.09176 1.000 48.86000  ?  79  ARG A HG3  1 
ATOM   1153 H  HD2  . ARG A 1 71  ? -65.25637 -49.92755 -11.84364 1.000 56.01077  ?  79  ARG A HD2  1 
ATOM   1154 H  HD3  . ARG A 1 71  ? -65.27038 -51.51344 -11.94454 1.000 56.01077  ?  79  ARG A HD3  1 
ATOM   1155 H  HE   . ARG A 1 71  ? -63.82371 -50.09105 -10.13261 1.000 59.20565  ?  79  ARG A HE   1 
ATOM   1156 H  HH11 . ARG A 1 71  ? -64.83421 -53.13925 -10.98707 1.000 63.34794  ?  79  ARG A HH11 1 
ATOM   1157 H  HH12 . ARG A 1 71  ? -64.32684 -53.81059 -9.75798  1.000 63.34794  ?  79  ARG A HH12 1 
ATOM   1158 H  HH21 . ARG A 1 71  ? -63.05759 -51.14548 -8.30553  1.000 61.38480  ?  79  ARG A HH21 1 
ATOM   1159 H  HH22 . ARG A 1 71  ? -63.25844 -52.61260 -8.14431  1.000 61.38480  ?  79  ARG A HH22 1 
ATOM   1160 N  N    . ILE A 1 72  ? -62.22946 -46.53217 -11.25482 1.000 21.78971  ?  80  ILE A N    1 
ATOM   1161 C  CA   . ILE A 1 72  ? -61.28577 -45.72070 -10.50509 1.000 19.75648  ?  80  ILE A CA   1 
ATOM   1162 C  C    . ILE A 1 72  ? -60.39980 -46.64454 -9.68269  1.000 20.04376  ?  80  ILE A C    1 
ATOM   1163 O  O    . ILE A 1 72  ? -60.88581 -47.53436 -8.97306  1.000 21.39643  ?  80  ILE A O    1 
ATOM   1164 C  CB   . ILE A 1 72  ? -62.02689 -44.72978 -9.59541  1.000 18.67047  ?  80  ILE A CB   1 
ATOM   1165 C  CG1  . ILE A 1 72  ? -62.86465 -43.76193 -10.43445 1.000 19.35103  ?  80  ILE A CG1  1 
ATOM   1166 C  CG2  . ILE A 1 72  ? -61.02735 -43.97696 -8.71895  1.000 21.71246  ?  80  ILE A CG2  1 
ATOM   1167 C  CD1  . ILE A 1 72  ? -63.88180 -42.98891 -9.61293  1.000 19.75396  ?  80  ILE A CD1  1 
ATOM   1168 H  H    . ILE A 1 72  ? -63.04858 -46.43216 -11.01267 1.000 26.17077  ?  80  ILE A H    1 
ATOM   1169 H  HA   . ILE A 1 72  ? -60.73655 -45.21387 -11.12346 1.000 23.73090  ?  80  ILE A HA   1 
ATOM   1170 H  HB   . ILE A 1 72  ? -62.62978 -45.22316 -9.01749  1.000 22.42769  ?  80  ILE A HB   1 
ATOM   1171 H  HG12 . ILE A 1 72  ? -62.27342 -43.12055 -10.85869 1.000 23.24436  ?  80  ILE A HG12 1 
ATOM   1172 H  HG13 . ILE A 1 72  ? -63.34611 -44.26602 -11.10898 1.000 23.24436  ?  80  ILE A HG13 1 
ATOM   1173 H  HG21 . ILE A 1 72  ? -61.47993 -43.23330 -8.29112  1.000 26.07808  ?  80  ILE A HG21 1 
ATOM   1174 H  HG22 . ILE A 1 72  ? -60.67805 -44.58264 -8.04661  1.000 26.07808  ?  80  ILE A HG22 1 
ATOM   1175 H  HG23 . ILE A 1 72  ? -60.30424 -43.64811 -9.27561  1.000 26.07808  ?  80  ILE A HG23 1 
ATOM   1176 H  HD11 . ILE A 1 72  ? -64.33885 -42.35691 -10.18963 1.000 23.72787  ?  80  ILE A HD11 1 
ATOM   1177 H  HD12 . ILE A 1 72  ? -64.52071 -43.61236 -9.23346  1.000 23.72787  ?  80  ILE A HD12 1 
ATOM   1178 H  HD13 . ILE A 1 72  ? -63.42029 -42.51529 -8.90330  1.000 23.72787  ?  80  ILE A HD13 1 
ATOM   1179 N  N    . ARG A 1 73  ? -59.09351 -46.45395 -9.79273  1.000 17.84120  ?  81  ARG A N    1 
ATOM   1180 C  CA   . ARG A 1 73  ? -58.11031 -47.20531 -9.01867  1.000 19.47951  ?  81  ARG A CA   1 
ATOM   1181 C  C    . ARG A 1 73  ? -57.19933 -46.19522 -8.34804  1.000 20.07252  ?  81  ARG A C    1 
ATOM   1182 O  O    . ARG A 1 73  ? -56.37844 -45.55697 -9.01611  1.000 20.67326  ?  81  ARG A O    1 
ATOM   1183 C  CB   . ARG A 1 73  ? -57.32635 -48.18084 -9.90055  1.000 22.68528  ?  81  ARG A CB   1 
ATOM   1184 C  CG   . ARG A 1 73  ? -58.24816 -49.17078 -10.59553 1.000 26.95682  ?  81  ARG A CG   1 
ATOM   1185 C  CD   . ARG A 1 73  ? -57.58012 -50.44434 -11.06042 1.000 30.76360  ?  81  ARG A CD   1 
ATOM   1186 N  NE   . ARG A 1 73  ? -58.56618 -51.38218 -11.59180 1.000 32.18762  ?  81  ARG A NE   1 
ATOM   1187 H  H    . ARG A 1 73  ? -58.73936 -45.87821 -10.32443 1.000 21.43256  ?  81  ARG A H    1 
ATOM   1188 H  HA   . ARG A 1 73  ? -58.55279 -47.72958 -8.33292  1.000 23.39853  ?  81  ARG A HA   1 
ATOM   1189 H  HB2  . ARG A 1 73  ? -56.84530 -47.68275 -10.57982 1.000 27.24546  ?  81  ARG A HB2  1 
ATOM   1190 H  HB3  . ARG A 1 73  ? -56.70215 -48.67927 -9.35023  1.000 27.24546  ?  81  ARG A HB3  1 
ATOM   1191 H  HG2  . ARG A 1 73  ? -58.95303 -49.42138 -9.97808  1.000 32.37131  ?  81  ARG A HG2  1 
ATOM   1192 H  HG3  . ARG A 1 73  ? -58.62914 -48.74079 -11.37711 1.000 32.37131  ?  81  ARG A HG3  1 
ATOM   1193 H  HD2  . ARG A 1 73  ? -56.94197 -50.23817 -11.76125 1.000 36.93944  ?  81  ARG A HD2  1 
ATOM   1194 H  HD3  . ARG A 1 73  ? -57.12727 -50.86424 -10.31242 1.000 36.93944  ?  81  ARG A HD3  1 
ATOM   1195 N  N    . LEU A 1 74  ? -57.40298 -46.00169 -7.04272  1.000 17.54127  ?  82  LEU A N    1 
ATOM   1196 C  CA   . LEU A 1 74  ? -56.64632 -45.01588 -6.28612  1.000 18.12892  ?  82  LEU A CA   1 
ATOM   1197 C  C    . LEU A 1 74  ? -55.30156 -45.58029 -5.86114  1.000 18.33234  ?  82  LEU A C    1 
ATOM   1198 O  O    . LEU A 1 74  ? -55.14072 -46.78981 -5.66278  1.000 19.59447  ?  82  LEU A O    1 
ATOM   1199 C  CB   . LEU A 1 74  ? -57.43118 -44.56526 -5.06182  1.000 18.76241  ?  82  LEU A CB   1 
ATOM   1200 C  CG   . LEU A 1 74  ? -58.74316 -43.86581 -5.39926  1.000 19.80979  ?  82  LEU A CG   1 
ATOM   1201 C  CD1  . LEU A 1 74  ? -59.51397 -43.61739 -4.10067  1.000 20.76682  ?  82  LEU A CD1  1 
ATOM   1202 C  CD2  . LEU A 1 74  ? -58.56951 -42.55992 -6.15390  1.000 20.48949  ?  82  LEU A CD2  1 
ATOM   1203 H  H    . LEU A 1 74  ? -57.97904 -46.43418 -6.57293  1.000 21.07264  ?  82  LEU A H    1 
ATOM   1204 H  HA   . LEU A 1 74  ? -56.48411 -44.23850 -6.84315  1.000 21.77782  ?  82  LEU A HA   1 
ATOM   1205 H  HB2  . LEU A 1 74  ? -57.63969 -45.34350 -4.52167  1.000 22.53801  ?  82  LEU A HB2  1 
ATOM   1206 H  HB3  . LEU A 1 74  ? -56.88591 -43.94485 -4.55324  1.000 22.53801  ?  82  LEU A HB3  1 
ATOM   1207 H  HG   . LEU A 1 74  ? -59.24133 -44.44596 -5.99604  1.000 23.79486  ?  82  LEU A HG   1 
ATOM   1208 H  HD11 . LEU A 1 74  ? -60.35717 -43.18668 -4.31139  1.000 24.94330  ?  82  LEU A HD11 1 
ATOM   1209 H  HD12 . LEU A 1 74  ? -59.67708 -44.46737 -3.66270  1.000 24.94330  ?  82  LEU A HD12 1 
ATOM   1210 H  HD13 . LEU A 1 74  ? -58.98483 -43.04433 -3.52404  1.000 24.94330  ?  82  LEU A HD13 1 
ATOM   1211 H  HD21 . LEU A 1 74  ? -59.42356 -42.10167 -6.19277  1.000 24.61051  ?  82  LEU A HD21 1 
ATOM   1212 H  HD22 . LEU A 1 74  ? -57.92000 -42.01011 -5.68834  1.000 24.61051  ?  82  LEU A HD22 1 
ATOM   1213 H  HD23 . LEU A 1 74  ? -58.25661 -42.75308 -7.05150  1.000 24.61051  ?  82  LEU A HD23 1 
ATOM   1214 N  N    . GLN A 1 75  ? -54.33144 -44.68072 -5.73036  1.000 17.58846  ?  83  GLN A N    1 
ATOM   1215 C  CA   . GLN A 1 75  ? -53.01344 -45.01671 -5.23136  1.000 17.29200  ?  83  GLN A CA   1 
ATOM   1216 C  C    . GLN A 1 75  ? -52.64232 -44.07918 -4.08849  1.000 16.63816  ?  83  GLN A C    1 
ATOM   1217 O  O    . GLN A 1 75  ? -53.27602 -43.04714 -3.88096  1.000 16.39078  ?  83  GLN A O    1 
ATOM   1218 C  CB   . GLN A 1 75  ? -51.91215 -44.89418 -6.29194  1.000 21.63818  ?  83  GLN A CB   1 
ATOM   1219 C  CG   . GLN A 1 75  ? -52.21909 -45.26892 -7.71635  1.000 30.26762  ?  83  GLN A CG   1 
ATOM   1220 C  CD   . GLN A 1 75  ? -51.21413 -44.60878 -8.70603  1.000 38.00844  ?  83  GLN A CD   1 
ATOM   1221 O  OE1  . GLN A 1 75  ? -51.58069 -44.11712 -9.78129  1.000 40.37466  ?  83  GLN A OE1  1 
ATOM   1222 N  NE2  . GLN A 1 75  ? -49.93653 -44.58183 -8.31089  1.000 39.26125  ?  83  GLN A NE2  1 
ATOM   1223 H  H    . GLN A 1 75  ? -54.42036 -43.84915 -5.93083  1.000 21.12928  ?  83  GLN A H    1 
ATOM   1224 H  HA   . GLN A 1 75  ? -53.05912 -45.93573 -4.92442  1.000 20.77352  ?  83  GLN A HA   1 
ATOM   1225 H  HB2  . GLN A 1 75  ? -51.62775 -43.96698 -6.30942  1.000 25.98893  ?  83  GLN A HB2  1 
ATOM   1226 H  HB3  . GLN A 1 75  ? -51.17642 -45.46167 -6.01344  1.000 25.98893  ?  83  GLN A HB3  1 
ATOM   1227 H  HG2  . GLN A 1 75  ? -52.15813 -46.23190 -7.81562  1.000 36.34426  ?  83  GLN A HG2  1 
ATOM   1228 H  HG3  . GLN A 1 75  ? -53.11313 -44.96804 -7.94233  1.000 36.34426  ?  83  GLN A HG3  1 
ATOM   1229 H  HE21 . GLN A 1 75  ? -49.71440 -44.91691 -7.55064  1.000 47.13662  ?  83  GLN A HE21 1 
ATOM   1230 H  HE22 . GLN A 1 75  ? -49.33722 -44.22943 -8.81709  1.000 47.13662  ?  83  GLN A HE22 1 
ATOM   1231 N  N    . ASP A 1 76  ? -51.59894 -44.43149 -3.34135  1.000 15.98658  ?  84  ASP A N    1 
ATOM   1232 C  CA   . ASP A 1 76  ? -51.13362 -43.55762 -2.27265  1.000 15.16510  ?  84  ASP A CA   1 
ATOM   1233 C  C    . ASP A 1 76  ? -50.87406 -42.15948 -2.83385  1.000 16.83565  ?  84  ASP A C    1 
ATOM   1234 O  O    . ASP A 1 76  ? -50.37739 -41.99987 -3.94931  1.000 15.56471  ?  84  ASP A O    1 
ATOM   1235 C  CB   . ASP A 1 76  ? -49.80870 -44.04086 -1.68492  1.000 16.38648  ?  84  ASP A CB   1 
ATOM   1236 C  CG   . ASP A 1 76  ? -49.86681 -45.38999 -1.01297  1.000 16.44544  ?  84  ASP A CG   1 
ATOM   1237 O  OD1  . ASP A 1 76  ? -50.95798 -45.93837 -0.72422  1.000 17.19125  ?  84  ASP A OD1  1 
ATOM   1238 O  OD2  . ASP A 1 76  ? -48.74539 -45.87450 -0.70740  1.000 18.30755  ?  84  ASP A OD2  1 
ATOM   1239 H  H    . ASP A 1 76  ? -51.15108 -45.16000 -3.43246  1.000 19.20702  ?  84  ASP A H    1 
ATOM   1240 H  HA   . ASP A 1 76  ? -51.81020 -43.55147 -1.57760  1.000 18.22123  ?  84  ASP A HA   1 
ATOM   1241 H  HB2  . ASP A 1 76  ? -49.15763 -44.10064 -2.40146  1.000 19.68689  ?  84  ASP A HB2  1 
ATOM   1242 H  HB3  . ASP A 1 76  ? -49.51357 -43.39790 -1.02129  1.000 19.68689  ?  84  ASP A HB3  1 
ATOM   1243 N  N    . ILE A 1 77  ? -51.17480 -41.13935 -2.04204  1.000 15.05939  ?  85  ILE A N    1 
ATOM   1244 C  CA   . ILE A 1 77  ? -50.82720 -39.76604 -2.39626  1.000 15.38253  ?  85  ILE A CA   1 
ATOM   1245 C  C    . ILE A 1 77  ? -49.48170 -39.47518 -1.73607  1.000 16.68677  ?  85  ILE A C    1 
ATOM   1246 O  O    . ILE A 1 77  ? -49.38773 -39.37779 -0.50730  1.000 16.95840  ?  85  ILE A O    1 
ATOM   1247 C  CB   . ILE A 1 77  ? -51.89759 -38.77038 -1.93817  1.000 14.34999  ?  85  ILE A CB   1 
ATOM   1248 C  CG1  . ILE A 1 77  ? -53.27431 -39.19244 -2.45273  1.000 16.01388  ?  85  ILE A CG1  1 
ATOM   1249 C  CG2  . ILE A 1 77  ? -51.51741 -37.34143 -2.39572  1.000 16.14151  ?  85  ILE A CG2  1 
ATOM   1250 C  CD1  . ILE A 1 77  ? -54.40719 -38.46062 -1.77315  1.000 17.97268  ?  85  ILE A CD1  1 
ATOM   1251 H  H    . ILE A 1 77  ? -51.58276 -41.21530 -1.28878  1.000 18.09438  ?  85  ILE A H    1 
ATOM   1252 H  HA   . ILE A 1 77  ? -50.74058 -39.68464 -3.35895  1.000 18.48216  ?  85  ILE A HA   1 
ATOM   1253 H  HB   . ILE A 1 77  ? -51.94193 -38.77032 -0.96918  1.000 17.24311  ?  85  ILE A HB   1 
ATOM   1254 H  HG12 . ILE A 1 77  ? -53.32564 -39.00695 -3.40344  1.000 19.23978  ?  85  ILE A HG12 1 
ATOM   1255 H  HG13 . ILE A 1 77  ? -53.39271 -40.14186 -2.29309  1.000 19.23978  ?  85  ILE A HG13 1 
ATOM   1256 H  HG21 . ILE A 1 77  ? -52.19899 -36.72113 -2.09312  1.000 19.39293  ?  85  ILE A HG21 1 
ATOM   1257 H  HG22 . ILE A 1 77  ? -50.65954 -37.10414 -2.01019  1.000 19.39293  ?  85  ILE A HG22 1 
ATOM   1258 H  HG23 . ILE A 1 77  ? -51.46102 -37.32439 -3.36393  1.000 19.39293  ?  85  ILE A HG23 1 
ATOM   1259 H  HD11 . ILE A 1 77  ? -55.25041 -38.79677 -2.11502  1.000 21.59033  ?  85  ILE A HD11 1 
ATOM   1260 H  HD12 . ILE A 1 77  ? -54.35338 -38.61368 -0.81682  1.000 21.59033  ?  85  ILE A HD12 1 
ATOM   1261 H  HD13 . ILE A 1 77  ? -54.32845 -37.51230 -1.96130  1.000 21.59033  ?  85  ILE A HD13 1 
ATOM   1262 N  N    . LYS A 1 78  ? -48.42708 -39.34710 -2.54575  1.000 15.93084  ?  86  LYS A N    1 
ATOM   1263 C  CA   . LYS A 1 78  ? -47.09514 -39.17579 -1.97395  1.000 15.39132  ?  86  LYS A CA   1 
ATOM   1264 C  C    . LYS A 1 78  ? -46.97274 -37.82846 -1.29672  1.000 14.60492  ?  86  LYS A C    1 
ATOM   1265 O  O    . LYS A 1 78  ? -47.55574 -36.84157 -1.74675  1.000 15.82065  ?  86  LYS A O    1 
ATOM   1266 C  CB   . LYS A 1 78  ? -46.03813 -39.23955 -3.07172  1.000 18.46196  ?  86  LYS A CB   1 
ATOM   1267 C  CG   . LYS A 1 78  ? -45.99169 -40.54777 -3.82852  1.000 21.13489  ?  86  LYS A CG   1 
ATOM   1268 C  CD   . LYS A 1 78  ? -45.52326 -41.66846 -2.93059  1.000 24.42501  ?  86  LYS A CD   1 
ATOM   1269 C  CE   . LYS A 1 78  ? -44.86756 -42.74901 -3.74395  1.000 27.29420  ?  86  LYS A CE   1 
ATOM   1270 N  NZ   . LYS A 1 78  ? -44.48084 -43.85731 -2.87025  1.000 32.93248  ?  86  LYS A NZ   1 
ATOM   1271 H  H    . LYS A 1 78  ? -48.45774 -39.35612 -3.40516  1.000 19.14013  ?  86  LYS A H    1 
ATOM   1272 H  HA   . LYS A 1 78  ? -46.94436 -39.88296 -1.32735  1.000 18.49270  ?  86  LYS A HA   1 
ATOM   1273 H  HB2  . LYS A 1 78  ? -46.21891 -38.53625 -3.71482  1.000 22.17747  ?  86  LYS A HB2  1 
ATOM   1274 H  HB3  . LYS A 1 78  ? -45.16639 -39.10424 -2.66839  1.000 22.17747  ?  86  LYS A HB3  1 
ATOM   1275 H  HG2  . LYS A 1 78  ? -46.87880 -40.76505 -4.15520  1.000 25.38499  ?  86  LYS A HG2  1 
ATOM   1276 H  HG3  . LYS A 1 78  ? -45.37398 -40.47030 -4.57237  1.000 25.38499  ?  86  LYS A HG3  1 
ATOM   1277 H  HD2  . LYS A 1 78  ? -44.87802 -41.32643 -2.29217  1.000 29.33313  ?  86  LYS A HD2  1 
ATOM   1278 H  HD3  . LYS A 1 78  ? -46.28245 -42.05021 -2.46284  1.000 29.33313  ?  86  LYS A HD3  1 
ATOM   1279 H  HE2  . LYS A 1 78  ? -45.48855 -43.07939 -4.41187  1.000 32.77615  ?  86  LYS A HE2  1 
ATOM   1280 H  HE3  . LYS A 1 78  ? -44.07238 -42.39843 -4.17486  1.000 32.77615  ?  86  LYS A HE3  1 
ATOM   1281 H  HZ1  . LYS A 1 78  ? -44.07353 -44.49086 -3.34439  1.000 39.54209  ?  86  LYS A HZ1  1 
ATOM   1282 H  HZ2  . LYS A 1 78  ? -43.92523 -43.56724 -2.23839  1.000 39.54209  ?  86  LYS A HZ2  1 
ATOM   1283 H  HZ3  . LYS A 1 78  ? -45.20244 -44.20550 -2.48273  1.000 39.54209  ?  86  LYS A HZ3  1 
ATOM   1284 N  N    . LYS A 1 79  ? -46.21107 -37.78431 -0.21175  1.000 14.83946  ?  87  LYS A N    1 
ATOM   1285 C  CA   . LYS A 1 79  ? -45.93167 -36.50636 0.42555   1.000 16.33894  ?  87  LYS A CA   1 
ATOM   1286 C  C    . LYS A 1 79  ? -45.13455 -35.58315 -0.49000  1.000 16.85522  ?  87  LYS A C    1 
ATOM   1287 O  O    . LYS A 1 79  ? -44.41640 -36.02459 -1.39630  1.000 17.58008  ?  87  LYS A O    1 
ATOM   1288 C  CB   . LYS A 1 79  ? -45.17000 -36.70979 1.72598   1.000 18.72697  ?  87  LYS A CB   1 
ATOM   1289 C  CG   . LYS A 1 79  ? -43.77307 -37.27961 1.55387   1.000 19.93016  ?  87  LYS A CG   1 
ATOM   1290 C  CD   . LYS A 1 79  ? -42.96929 -37.28158 2.84528   1.000 22.86863  ?  87  LYS A CD   1 
ATOM   1291 C  CE   . LYS A 1 79  ? -41.51938 -37.64500 2.58915   1.000 28.09345  ?  87  LYS A CE   1 
ATOM   1292 N  NZ   . LYS A 1 79  ? -40.61226 -37.18432 3.66125   1.000 34.84862  ?  87  LYS A NZ   1 
ATOM   1293 H  H    . LYS A 1 79  ? -45.85086 -38.46670 0.16798   1.000 17.83047  ?  87  LYS A H    1 
ATOM   1294 H  HA   . LYS A 1 79  ? -46.77853 -36.07526 0.62020   1.000 19.62984  ?  87  LYS A HA   1 
ATOM   1295 H  HB2  . LYS A 1 79  ? -45.08402 -35.85230 2.17119   1.000 22.49548  ?  87  LYS A HB2  1 
ATOM   1296 H  HB3  . LYS A 1 79  ? -45.67072 -37.32483 2.28447   1.000 22.49548  ?  87  LYS A HB3  1 
ATOM   1297 H  HG2  . LYS A 1 79  ? -43.84201 -38.19608 1.24368   1.000 23.93931  ?  87  LYS A HG2  1 
ATOM   1298 H  HG3  . LYS A 1 79  ? -43.29184 -36.74454 0.90347   1.000 23.93931  ?  87  LYS A HG3  1 
ATOM   1299 H  HD2  . LYS A 1 79  ? -42.99739 -36.39767 3.24379   1.000 27.46547  ?  87  LYS A HD2  1 
ATOM   1300 H  HD3  . LYS A 1 79  ? -43.34461 -37.93363 3.45755   1.000 27.46547  ?  87  LYS A HD3  1 
ATOM   1301 H  HE2  . LYS A 1 79  ? -41.44218 -38.60987 2.52624   1.000 33.73526  ?  87  LYS A HE2  1 
ATOM   1302 H  HE3  . LYS A 1 79  ? -41.23308 -37.23439 1.75828   1.000 33.73526  ?  87  LYS A HE3  1 
ATOM   1303 H  HZ1  . LYS A 1 79  ? -39.77151 -37.39651 3.46070   1.000 41.84146  ?  87  LYS A HZ1  1 
ATOM   1304 H  HZ2  . LYS A 1 79  ? -40.67323 -36.30116 3.75300   1.000 41.84146  ?  87  LYS A HZ2  1 
ATOM   1305 H  HZ3  . LYS A 1 79  ? -40.83156 -37.57065 4.43245   1.000 41.84146  ?  87  LYS A HZ3  1 
ATOM   1306 N  N    . PRO A 1 80  ? -45.25518 -34.28239 -0.26768  1.000 18.24547  ?  88  PRO A N    1 
ATOM   1307 C  CA   . PRO A 1 80  ? -44.46225 -33.33122 -1.04674  1.000 21.70951  ?  88  PRO A CA   1 
ATOM   1308 C  C    . PRO A 1 80  ? -42.96939 -33.53791 -0.81081  1.000 27.47777  ?  88  PRO A C    1 
ATOM   1309 O  O    . PRO A 1 80  ? -42.53573 -34.05422 0.22116   1.000 21.65493  ?  88  PRO A O    1 
ATOM   1310 C  CB   . PRO A 1 80  ? -44.93872 -31.97578 -0.52134  1.000 20.88422  ?  88  PRO A CB   1 
ATOM   1311 C  CG   . PRO A 1 80  ? -46.34508 -32.24922 0.00797   1.000 20.20863  ?  88  PRO A CG   1 
ATOM   1312 C  CD   . PRO A 1 80  ? -46.20348 -33.60740 0.63795   1.000 19.40866  ?  88  PRO A CD   1 
ATOM   1313 H  HA   . PRO A 1 80  ? -44.65293 -33.39868 -1.99542  1.000 26.07453  ?  88  PRO A HA   1 
ATOM   1314 H  HB2  . PRO A 1 80  ? -44.35202 -31.66849 0.18735   1.000 25.08418  ?  88  PRO A HB2  1 
ATOM   1315 H  HB3  . PRO A 1 80  ? -44.95646 -31.32688 -1.24211  1.000 25.08418  ?  88  PRO A HB3  1 
ATOM   1316 H  HG2  . PRO A 1 80  ? -46.59817 -31.57918 0.66211   1.000 24.27347  ?  88  PRO A HG2  1 
ATOM   1317 H  HG3  . PRO A 1 80  ? -46.98589 -32.26074 -0.72012  1.000 24.27347  ?  88  PRO A HG3  1 
ATOM   1318 H  HD2  . PRO A 1 80  ? -45.84001 -33.53911 1.53468   1.000 23.31351  ?  88  PRO A HD2  1 
ATOM   1319 H  HD3  . PRO A 1 80  ? -47.05486 -34.07169 0.65953   1.000 23.31351  ?  88  PRO A HD3  1 
ATOM   1320 N  N    . GLU A 1 81  ? -42.17073 -33.09660 -1.78213  1.000 33.42403  ?  89  GLU A N    1 
ATOM   1321 C  CA   . GLU A 1 81  ? -40.72324 -33.31690 -1.70081  1.000 38.18726  ?  89  GLU A CA   1 
ATOM   1322 C  C    . GLU A 1 81  ? -40.07888 -32.57971 -0.52917  1.000 40.98120  ?  89  GLU A C    1 
ATOM   1323 O  O    . GLU A 1 81  ? -39.05445 -33.02854 -0.00173  1.000 39.68036  ?  89  GLU A O    1 
ATOM   1324 C  CB   . GLU A 1 81  ? -40.03987 -32.85557 -2.99301  1.000 43.26942  ?  89  GLU A CB   1 
ATOM   1325 C  CG   . GLU A 1 81  ? -40.61038 -33.42074 -4.28747  1.000 47.37583  ?  89  GLU A CG   1 
ATOM   1326 C  CD   . GLU A 1 81  ? -40.77617 -34.92504 -4.27182  1.000 49.02128  ?  89  GLU A CD   1 
ATOM   1327 O  OE1  . GLU A 1 81  ? -39.75721 -35.62815 -4.10937  1.000 51.87004  ?  89  GLU A OE1  1 
ATOM   1328 O  OE2  . GLU A 1 81  ? -41.91986 -35.41720 -4.44128  1.000 50.77146  ?  89  GLU A OE2  1 
ATOM   1329 H  H    . GLU A 1 81  ? -42.43297 -32.67567 -2.48474  1.000 40.13195  ?  89  GLU A H    1 
ATOM   1330 H  HA   . GLU A 1 81  ? -40.58703 -34.26987 -1.58165  1.000 45.84784  ?  89  GLU A HA   1 
ATOM   1331 H  HB2  . GLU A 1 81  ? -40.11156 -31.88966 -3.04577  1.000 51.94642  ?  89  GLU A HB2  1 
ATOM   1332 H  HB3  . GLU A 1 81  ? -39.10672 -33.11728 -2.95264  1.000 51.94642  ?  89  GLU A HB3  1 
ATOM   1333 H  HG2  . GLU A 1 81  ? -41.48380 -33.02810 -4.44194  1.000 56.87412  ?  89  GLU A HG2  1 
ATOM   1334 H  HG3  . GLU A 1 81  ? -40.01199 -33.19630 -5.01717  1.000 56.87412  ?  89  GLU A HG3  1 
ATOM   1335 N  N    . GLN A 1 82  ? -40.64359 -31.44470 -0.11894  1.000 34.36301  ?  90  GLN A N    1 
ATOM   1336 C  CA   . GLN A 1 82  ? -40.08257 -30.61300 0.93569   1.000 34.35394  ?  90  GLN A CA   1 
ATOM   1337 C  C    . GLN A 1 82  ? -41.13985 -30.37094 1.99868   1.000 34.29846  ?  90  GLN A C    1 
ATOM   1338 O  O    . GLN A 1 82  ? -42.32717 -30.24973 1.68153   1.000 33.98580  ?  90  GLN A O    1 
ATOM   1339 C  CB   . GLN A 1 82  ? -39.64588 -29.23181 0.35695   1.000 36.86603  ?  90  GLN A CB   1 
ATOM   1340 C  CG   . GLN A 1 82  ? -38.94009 -29.33235 -0.99152  1.000 40.70888  ?  90  GLN A CG   1 
ATOM   1341 C  CD   . GLN A 1 82  ? -38.14562 -28.09267 -1.37054  1.000 43.83754  ?  90  GLN A CD   1 
ATOM   1342 O  OE1  . GLN A 1 82  ? -37.98772 -27.78557 -2.54645  1.000 41.74242  ?  90  GLN A OE1  1 
ATOM   1343 N  NE2  . GLN A 1 82  ? -37.67362 -27.35766 -0.37685  1.000 45.68283  ?  90  GLN A NE2  1 
ATOM   1344 H  H    . GLN A 1 82  ? -41.37300 -31.12954 -0.44794  1.000 41.25874  ?  90  GLN A H    1 
ATOM   1345 H  HA   . GLN A 1 82  ? -39.32161 -31.05972 1.33853   1.000 41.24784  ?  90  GLN A HA   1 
ATOM   1346 H  HB2  . GLN A 1 82  ? -40.43404 -28.67877 0.23928   1.000 44.26236  ?  90  GLN A HB2  1 
ATOM   1347 H  HB3  . GLN A 1 82  ? -39.03495 -28.81018 0.98136   1.000 44.26236  ?  90  GLN A HB3  1 
ATOM   1348 H  HG2  . GLN A 1 82  ? -38.32307 -30.08031 -0.96448  1.000 48.87378  ?  90  GLN A HG2  1 
ATOM   1349 H  HG3  . GLN A 1 82  ? -39.60661 -29.47688 -1.68127  1.000 48.87378  ?  90  GLN A HG3  1 
ATOM   1350 H  HE21 . GLN A 1 82  ? -37.82185 -27.58987 0.43783   1.000 54.84251  ?  90  GLN A HE21 1 
ATOM   1351 H  HE22 . GLN A 1 82  ? -37.21858 -26.64769 -0.54561  1.000 54.84251  ?  90  GLN A HE22 1 
ATOM   1352 N  N    . ASP A 1 83  ? -40.70906 -30.29164 3.26694   1.000 39.68843  ?  91  ASP A N    1 
ATOM   1353 C  CA   . ASP A 1 83  ? -41.56833 -29.72126 4.29735   1.000 42.90532  ?  91  ASP A CA   1 
ATOM   1354 C  C    . ASP A 1 83  ? -41.24007 -28.25979 4.57154   1.000 41.92739  ?  91  ASP A C    1 
ATOM   1355 O  O    . ASP A 1 83  ? -42.11937 -27.52055 5.03183   1.000 40.69618  ?  91  ASP A O    1 
ATOM   1356 C  CB   . ASP A 1 83  ? -41.49089 -30.51250 5.61712   1.000 46.55649  ?  91  ASP A CB   1 
ATOM   1357 C  CG   . ASP A 1 83  ? -42.39420 -31.76624 5.63152   1.000 47.91660  ?  91  ASP A CG   1 
ATOM   1358 O  OD1  . ASP A 1 83  ? -43.67403 -31.68917 5.68784   1.000 42.46373  ?  91  ASP A OD1  1 
ATOM   1359 O  OD2  . ASP A 1 83  ? -41.81240 -32.86556 5.59870   1.000 50.11408  ?  91  ASP A OD2  1 
ATOM   1360 H  H    . ASP A 1 83  ? -39.93901 -30.55743 3.54258   1.000 47.64923  ?  91  ASP A H    1 
ATOM   1361 H  HA   . ASP A 1 83  ? -42.48872 -29.78979 3.99889   1.000 51.50950  ?  91  ASP A HA   1 
ATOM   1362 H  HB2  . ASP A 1 83  ? -40.57592 -30.80319 5.75582   1.000 55.89091  ?  91  ASP A HB2  1 
ATOM   1363 H  HB3  . ASP A 1 83  ? -41.76994 -29.93614 6.34571   1.000 55.89091  ?  91  ASP A HB3  1 
ATOM   1364 N  N    . ASP A 1 84  ? -40.01097 -27.82526 4.26886   1.000 40.12898  ?  92  ASP A N    1 
ATOM   1365 C  CA   . ASP A 1 84  ? -39.56381 -26.43883 4.40932   1.000 36.83914  ?  92  ASP A CA   1 
ATOM   1366 C  C    . ASP A 1 84  ? -39.41920 -25.85310 3.00900   1.000 33.49272  ?  92  ASP A C    1 
ATOM   1367 O  O    . ASP A 1 84  ? -38.53263 -26.25120 2.24883   1.000 33.34425  ?  92  ASP A O    1 
ATOM   1368 C  CB   . ASP A 1 84  ? -38.24039 -26.40946 5.17178   1.000 35.15601  ?  92  ASP A CB   1 
ATOM   1369 C  CG   . ASP A 1 84  ? -37.62069 -25.01490 5.26546   1.000 35.99987  ?  92  ASP A CG   1 
ATOM   1370 O  OD1  . ASP A 1 84  ? -36.52387 -24.91222 5.86369   1.000 39.19767  ?  92  ASP A OD1  1 
ATOM   1371 O  OD2  . ASP A 1 84  ? -38.18429 -24.02719 4.77195   1.000 35.87450  ?  92  ASP A OD2  1 
ATOM   1372 H  H    . ASP A 1 84  ? -39.39242 -28.34075 3.96675   1.000 48.17789  ?  92  ASP A H    1 
ATOM   1373 H  HA   . ASP A 1 84  ? -40.21750 -25.90842 4.89124   1.000 44.23009  ?  92  ASP A HA   1 
ATOM   1374 H  HB2  . ASP A 1 84  ? -38.39247 -26.72780 6.07535   1.000 42.21033  ?  92  ASP A HB2  1 
ATOM   1375 H  HB3  . ASP A 1 84  ? -37.60542 -26.98644 4.71922   1.000 42.21033  ?  92  ASP A HB3  1 
ATOM   1376 N  N    . TRP A 1 85  ? -40.28976 -24.90644 2.66806   1.000 24.54913  ?  93  TRP A N    1 
ATOM   1377 C  CA   . TRP A 1 85  ? -40.33171 -24.34162 1.32370   1.000 22.45393  ?  93  TRP A CA   1 
ATOM   1378 C  C    . TRP A 1 85  ? -39.43477 -23.12298 1.15341   1.000 23.19577  ?  93  TRP A C    1 
ATOM   1379 O  O    . TRP A 1 85  ? -39.45600 -22.50257 0.08898   1.000 21.43823  ?  93  TRP A O    1 
ATOM   1380 C  CB   . TRP A 1 85  ? -41.78253 -24.04339 0.96075   1.000 20.95892  ?  93  TRP A CB   1 
ATOM   1381 C  CG   . TRP A 1 85  ? -42.56571 -25.30333 0.82542   1.000 19.56240  ?  93  TRP A CG   1 
ATOM   1382 C  CD1  . TRP A 1 85  ? -43.44150 -25.81495 1.71654   1.000 19.08913  ?  93  TRP A CD1  1 
ATOM   1383 C  CD2  . TRP A 1 85  ? -42.51151 -26.23014 -0.26514  1.000 19.98631  ?  93  TRP A CD2  1 
ATOM   1384 N  NE1  . TRP A 1 85  ? -43.94860 -26.99501 1.25215   1.000 18.80239  ?  93  TRP A NE1  1 
ATOM   1385 C  CE2  . TRP A 1 85  ? -43.39268 -27.27863 0.03887   1.000 18.72134  ?  93  TRP A CE2  1 
ATOM   1386 C  CE3  . TRP A 1 85  ? -41.82416 -26.25836 -1.48075  1.000 19.44787  ?  93  TRP A CE3  1 
ATOM   1387 C  CZ2  . TRP A 1 85  ? -43.61091 -28.35069 -0.82007  1.000 19.81119  ?  93  TRP A CZ2  1 
ATOM   1388 C  CZ3  . TRP A 1 85  ? -42.01157 -27.32923 -2.31527  1.000 20.66966  ?  93  TRP A CZ3  1 
ATOM   1389 C  CH2  . TRP A 1 85  ? -42.90052 -28.36844 -1.98783  1.000 18.15414  ?  93  TRP A CH2  1 
ATOM   1390 H  H    . TRP A 1 85  ? -40.87251 -24.57180 3.20473   1.000 29.48208  ?  93  TRP A H    1 
ATOM   1391 H  HA   . TRP A 1 85  ? -40.00175 -24.99167 0.68381   1.000 26.96783  ?  93  TRP A HA   1 
ATOM   1392 H  HB2  . TRP A 1 85  ? -42.18561 -23.50345 1.65852   1.000 25.17383  ?  93  TRP A HB2  1 
ATOM   1393 H  HB3  . TRP A 1 85  ? -41.81301 -23.56927 0.11506   1.000 25.17383  ?  93  TRP A HB3  1 
ATOM   1394 H  HD1  . TRP A 1 85  ? -43.66668 -25.42115 2.52840   1.000 22.93007  ?  93  TRP A HD1  1 
ATOM   1395 H  HE1  . TRP A 1 85  ? -44.52745 -27.48273 1.66040   1.000 22.58598  ?  93  TRP A HE1  1 
ATOM   1396 H  HE3  . TRP A 1 85  ? -41.25156 -25.56527 -1.71877  1.000 23.36056  ?  93  TRP A HE3  1 
ATOM   1397 H  HZ2  . TRP A 1 85  ? -44.21414 -29.02630 -0.60899  1.000 23.79655  ?  93  TRP A HZ2  1 
ATOM   1398 H  HZ3  . TRP A 1 85  ? -41.54030 -27.36952 -3.11600  1.000 24.82671  ?  93  TRP A HZ3  1 
ATOM   1399 H  HH2  . TRP A 1 85  ? -43.00705 -29.08063 -2.57633  1.000 21.80809  ?  93  TRP A HH2  1 
ATOM   1400 N  N    . GLU A 1 86  ? -38.65840 -22.78040 2.18056   1.000 22.47377  ?  94  GLU A N    1 
ATOM   1401 C  CA   . GLU A 1 86  ? -37.55115 -21.83033 2.14730   1.000 23.82030  ?  94  GLU A CA   1 
ATOM   1402 C  C    . GLU A 1 86  ? -37.92775 -20.35765 2.04870   1.000 21.38378  ?  94  GLU A C    1 
ATOM   1403 O  O    . GLU A 1 86  ? -37.37865 -19.54936 2.80730   1.000 19.92248  ?  94  GLU A O    1 
ATOM   1404 C  CB   . GLU A 1 86  ? -36.48034 -22.18688 1.09527   1.000 28.08582  ?  94  GLU A CB   1 
ATOM   1405 C  CG   . GLU A 1 86  ? -35.93391 -23.61935 1.17963   1.000 33.89202  ?  94  GLU A CG   1 
ATOM   1406 C  CD   . GLU A 1 86  ? -35.12787 -24.02408 -0.05190  1.000 42.32316  ?  94  GLU A CD   1 
ATOM   1407 O  OE1  . GLU A 1 86  ? -34.56745 -23.12468 -0.73432  1.000 42.91746  ?  94  GLU A OE1  1 
ATOM   1408 O  OE2  . GLU A 1 86  ? -35.07202 -25.24478 -0.34686  1.000 46.09082  ?  94  GLU A OE2  1 
ATOM   1409 H  H    . GLU A 1 86  ? -38.76106 -23.11013 2.96818   1.000 26.99164  ?  94  GLU A H    1 
ATOM   1410 H  HA   . GLU A 1 86  ? -37.15595 -21.92550 3.02802   1.000 28.60748  ?  94  GLU A HA   1 
ATOM   1411 H  HB2  . GLU A 1 86  ? -36.86849 -22.07588 0.21328   1.000 33.72611  ?  94  GLU A HB2  1 
ATOM   1412 H  HB3  . GLU A 1 86  ? -35.72938 -21.58291 1.20566   1.000 33.72611  ?  94  GLU A HB3  1 
ATOM   1413 H  HG2  . GLU A 1 86  ? -35.35318 -23.69004 1.95337   1.000 40.69354  ?  94  GLU A HG2  1 
ATOM   1414 H  HG3  . GLU A 1 86  ? -36.67784 -24.23583 1.26575   1.000 40.69354  ?  94  GLU A HG3  1 
ATOM   1415 N  N    . SER A 1 87  ? -38.79728 -19.99263 1.10561   1.000 20.86434  ?  95  SER A N    1 
ATOM   1416 C  CA   . SER A 1 87  ? -39.17025 -18.59559 0.91346   1.000 19.14124  ?  95  SER A CA   1 
ATOM   1417 C  C    . SER A 1 87  ? -40.40498 -18.53962 0.03620   1.000 17.90370  ?  95  SER A C    1 
ATOM   1418 O  O    . SER A 1 87  ? -40.78313 -19.52042 -0.60511  1.000 17.88305  ?  95  SER A O    1 
ATOM   1419 C  CB   . SER A 1 87  ? -38.05001 -17.79161 0.24726   1.000 18.47988  ?  95  SER A CB   1 
ATOM   1420 O  OG   . SER A 1 87  ? -37.81850 -18.22766 -1.08298  1.000 20.85331  ?  95  SER A OG   1 
ATOM   1421 H  H    . SER A 1 87  ? -39.18411 -20.53812 0.56487   1.000 25.06033  ?  95  SER A H    1 
ATOM   1422 H  HA   . SER A 1 87  ? -39.37221 -18.21539 1.78270   1.000 22.99261  ?  95  SER A HA   1 
ATOM   1423 H  HB2  . SER A 1 87  ? -38.30359 -16.85550 0.23043   1.000 22.19898  ?  95  SER A HB2  1 
ATOM   1424 H  HB3  . SER A 1 87  ? -37.23486 -17.90535 0.76057   1.000 22.19898  ?  95  SER A HB3  1 
ATOM   1425 H  HG   . SER A 1 87  ? -37.22882 -17.75013 -1.44333  1.000 25.04709  ?  95  SER A HG   1 
ATOM   1426 N  N    . GLY A 1 88  ? -40.99929 -17.35181 -0.03445  1.000 17.89106  ?  96  GLY A N    1 
ATOM   1427 C  CA   . GLY A 1 88  ? -42.10537 -17.16505 -0.95040  1.000 16.53833  ?  96  GLY A CA   1 
ATOM   1428 C  C    . GLY A 1 88  ? -41.68510 -17.34965 -2.39258  1.000 16.86121  ?  96  GLY A C    1 
ATOM   1429 O  O    . GLY A 1 88  ? -42.39451 -17.98744 -3.18238  1.000 18.72629  ?  96  GLY A O    1 
ATOM   1430 H  H    . GLY A 1 88  ? -40.78392 -16.65858 0.42669   1.000 21.49239  ?  96  GLY A H    1 
ATOM   1431 H  HA2  . GLY A 1 88  ? -42.80300 -17.80816 -0.74887  1.000 19.86912  ?  96  GLY A HA2  1 
ATOM   1432 H  HA3  . GLY A 1 88  ? -42.46223 -16.26907 -0.84656  1.000 19.86912  ?  96  GLY A HA3  1 
ATOM   1433 N  N    . LEU A 1 89  ? -40.50252 -16.84159 -2.74302  1.000 18.03639  ?  97  LEU A N    1 
ATOM   1434 C  CA   . LEU A 1 89  ? -39.98974 -17.04731 -4.09390  1.000 16.85570  ?  97  LEU A CA   1 
ATOM   1435 C  C    . LEU A 1 89  ? -39.77033 -18.52672 -4.40379  1.000 17.36196  ?  97  LEU A C    1 
ATOM   1436 O  O    . LEU A 1 89  ? -40.19681 -19.02141 -5.45785  1.000 18.23112  ?  97  LEU A O    1 
ATOM   1437 C  CB   . LEU A 1 89  ? -38.70122 -16.27104 -4.30812  1.000 19.12081  ?  97  LEU A CB   1 
ATOM   1438 C  CG   . LEU A 1 89  ? -38.02205 -16.55912 -5.64994  1.000 20.53298  ?  97  LEU A CG   1 
ATOM   1439 C  CD1  . LEU A 1 89  ? -38.89576 -16.19277 -6.85185  1.000 18.40709  ?  97  LEU A CD1  1 
ATOM   1440 C  CD2  . LEU A 1 89  ? -36.68232 -15.79790 -5.68435  1.000 21.72391  ?  97  LEU A CD2  1 
ATOM   1441 H  H    . LEU A 1 89  ? -39.98892 -16.38358 -2.22723  1.000 21.66679  ?  97  LEU A H    1 
ATOM   1442 H  HA   . LEU A 1 89  ? -40.65524 -16.70551 -4.71130  1.000 20.24996  ?  97  LEU A HA   1 
ATOM   1443 H  HB2  . LEU A 1 89  ? -38.90040 -15.32232 -4.27414  1.000 22.96810  ?  97  LEU A HB2  1 
ATOM   1444 H  HB3  . LEU A 1 89  ? -38.07677 -16.50438 -3.60348  1.000 22.96810  ?  97  LEU A HB3  1 
ATOM   1445 H  HG   . LEU A 1 89  ? -37.86733 -17.51334 -5.73008  1.000 24.66270  ?  97  LEU A HG   1 
ATOM   1446 H  HD11 . LEU A 1 89  ? -38.41816 -16.41058 -7.66754  1.000 22.11163  ?  97  LEU A HD11 1 
ATOM   1447 H  HD12 . LEU A 1 89  ? -39.72224 -16.69859 -6.80735  1.000 22.11163  ?  97  LEU A HD12 1 
ATOM   1448 H  HD13 . LEU A 1 89  ? -39.08775 -15.24235 -6.82470  1.000 22.11163  ?  97  LEU A HD13 1 
ATOM   1449 H  HD21 . LEU A 1 89  ? -36.27133 -15.92114 -6.55429  1.000 26.09181  ?  97  LEU A HD21 1 
ATOM   1450 H  HD22 . LEU A 1 89  ? -36.85053 -14.85540 -5.52852  1.000 26.09181  ?  97  LEU A HD22 1 
ATOM   1451 H  HD23 . LEU A 1 89  ? -36.10158 -16.14926 -4.99139  1.000 26.09181  ?  97  LEU A HD23 1 
ATOM   1452 N  N    . HIS A 1 90  ? -39.13078 -19.26196 -3.48866  1.000 17.50372  ?  98  HIS A N    1 
ATOM   1453 C  CA   . HIS A 1 90  ? -38.86206 -20.66181 -3.76520  1.000 17.96496  ?  98  HIS A CA   1 
ATOM   1454 C  C    . HIS A 1 90  ? -40.15784 -21.44685 -3.91784  1.000 16.92255  ?  98  HIS A C    1 
ATOM   1455 O  O    . HIS A 1 90  ? -40.28209 -22.30041 -4.80006  1.000 17.81296  ?  98  HIS A O    1 
ATOM   1456 C  CB   . HIS A 1 90  ? -38.00580 -21.26513 -2.66105  1.000 19.67727  ?  98  HIS A CB   1 
ATOM   1457 C  CG   . HIS A 1 90  ? -37.59807 -22.68261 -2.93726  1.000 20.97404  ?  98  HIS A CG   1 
ATOM   1458 N  ND1  . HIS A 1 90  ? -36.66293 -23.01697 -3.88709  1.000 24.25965  ?  98  HIS A ND1  1 
ATOM   1459 C  CD2  . HIS A 1 90  ? -37.99908 -23.84648 -2.38112  1.000 23.11554  ?  98  HIS A CD2  1 
ATOM   1460 C  CE1  . HIS A 1 90  ? -36.50037 -24.33108 -3.90550  1.000 25.39954  ?  98  HIS A CE1  1 
ATOM   1461 N  NE2  . HIS A 1 90  ? -37.29771 -24.85765 -2.99547  1.000 24.12415  ?  98  HIS A NE2  1 
ATOM   1462 H  H    . HIS A 1 90  ? -38.85328 -18.97760 -2.72594  1.000 21.02759  ?  98  HIS A H    1 
ATOM   1463 H  HA   . HIS A 1 90  ? -38.36540 -20.72392 -4.59609  1.000 21.58107  ?  98  HIS A HA   1 
ATOM   1464 H  HB2  . HIS A 1 90  ? -37.19870 -20.73577 -2.56479  1.000 23.63584  ?  98  HIS A HB2  1 
ATOM   1465 H  HB3  . HIS A 1 90  ? -38.50963 -21.25560 -1.83222  1.000 23.63584  ?  98  HIS A HB3  1 
ATOM   1466 H  HD1  . HIS A 1 90  ? -36.24714 -22.45858 -4.39199  1.000 29.13470  ?  98  HIS A HD1  1 
ATOM   1467 H  HD2  . HIS A 1 90  ? -38.63238 -23.94574 -1.70734  1.000 27.76177  ?  98  HIS A HD2  1 
ATOM   1468 H  HE1  . HIS A 1 90  ? -35.92388 -24.80153 -4.46340  1.000 30.50256  ?  98  HIS A HE1  1 
ATOM   1469 N  N    . ALA A 1 91  ? -41.13547 -21.18925 -3.05975  1.000 17.49921  ?  99  ALA A N    1 
ATOM   1470 C  CA   . ALA A 1 91  ? -42.40243 -21.89617 -3.18663  1.000 16.91628  ?  99  ALA A CA   1 
ATOM   1471 C  C    . ALA A 1 91  ? -43.07408 -21.59166 -4.51868  1.000 17.33606  ?  99  ALA A C    1 
ATOM   1472 O  O    . ALA A 1 91  ? -43.61546 -22.49687 -5.16442  1.000 17.32146  ?  99  ALA A O    1 
ATOM   1473 C  CB   . ALA A 1 91  ? -43.33519 -21.52100 -2.04074  1.000 17.39419  ?  99  ALA A CB   1 
ATOM   1474 H  H    . ALA A 1 91  ? -41.09342 -20.62515 -2.41197  1.000 21.02217  ?  99  ALA A H    1 
ATOM   1475 H  HA   . ALA A 1 91  ? -42.22595 -22.84879 -3.13910  1.000 20.32265  ?  99  ALA A HA   1 
ATOM   1476 H  HB1  . ALA A 1 91  ? -44.16081 -22.02256 -2.12847  1.000 20.89615  ?  99  ALA A HB1  1 
ATOM   1477 H  HB2  . ALA A 1 91  ? -42.90442 -21.73759 -1.19906  1.000 20.89615  ?  99  ALA A HB2  1 
ATOM   1478 H  HB3  . ALA A 1 91  ? -43.52004 -20.56970 -2.08254  1.000 20.89615  ?  99  ALA A HB3  1 
ATOM   1479 N  N    . MET A 1 92  ? -43.05232 -20.32935 -4.95514  1.000 16.86531  ?  100 MET A N    1 
ATOM   1480 C  CA   . MET A 1 92  ? -43.58542 -20.02835 -6.27579  1.000 16.71582  ?  100 MET A CA   1 
ATOM   1481 C  C    . MET A 1 92  ? -42.84403 -20.72798 -7.40442  1.000 17.50747  ?  100 MET A C    1 
ATOM   1482 O  O    . MET A 1 92  ? -43.46843 -21.18684 -8.36518  1.000 17.33291  ?  100 MET A O    1 
ATOM   1483 C  CB   . MET A 1 92  ? -43.78931 -18.54283 -6.56472  1.000 19.14839  ?  100 MET A CB   1 
ATOM   1484 C  CG   . MET A 1 92  ? -44.63120 -17.91622 -5.52355  1.000 21.49042  ?  100 MET A CG   1 
ATOM   1485 S  SD   . MET A 1 92  ? -46.32454 -18.01955 -6.27065  1.000 19.85891  ?  100 MET A SD   1 
ATOM   1486 C  CE   . MET A 1 92  ? -47.07186 -16.85885 -5.12867  1.000 20.45974  ?  100 MET A CE   1 
ATOM   1487 H  H    . MET A 1 92  ? -42.74445 -19.65534 -4.51864  1.000 20.26150  ?  100 MET A H    1 
ATOM   1488 H  HA   . MET A 1 92  ? -44.48732 -20.38381 -6.24253  1.000 20.08210  ?  100 MET A HA   1 
ATOM   1489 H  HB2  . MET A 1 92  ? -42.92901 -18.09491 -6.57684  1.000 23.00119  ?  100 MET A HB2  1 
ATOM   1490 H  HB3  . MET A 1 92  ? -44.23006 -18.43795 -7.42241  1.000 23.00119  ?  100 MET A HB3  1 
ATOM   1491 H  HG2  . MET A 1 92  ? -44.59328 -18.41153 -4.69040  1.000 25.81163  ?  100 MET A HG2  1 
ATOM   1492 H  HG3  . MET A 1 92  ? -44.37929 -16.99189 -5.37174  1.000 25.81163  ?  100 MET A HG3  1 
ATOM   1493 H  HE1  . MET A 1 92  ? -48.00911 -16.75237 -5.35478  1.000 24.57480  ?  100 MET A HE1  1 
ATOM   1494 H  HE2  . MET A 1 92  ? -46.98646 -17.20424 -4.22628  1.000 24.57480  ?  100 MET A HE2  1 
ATOM   1495 H  HE3  . MET A 1 92  ? -46.61519 -16.00614 -5.20106  1.000 24.57480  ?  100 MET A HE3  1 
ATOM   1496 N  N    . GLU A 1 93  ? -41.51432 -20.79543 -7.32453  1.000 17.44697  ?  101 GLU A N    1 
ATOM   1497 C  CA   . GLU A 1 93  ? -40.75550 -21.50334 -8.34495  1.000 17.77864  ?  101 GLU A CA   1 
ATOM   1498 C  C    . GLU A 1 93  ? -41.08274 -22.98638 -8.36668  1.000 18.43829  ?  101 GLU A C    1 
ATOM   1499 O  O    . GLU A 1 93  ? -41.18953 -23.59063 -9.44515  1.000 17.76181  ?  101 GLU A O    1 
ATOM   1500 C  CB   . GLU A 1 93  ? -39.24772 -21.30183 -8.18702  1.000 18.36342  ?  101 GLU A CB   1 
ATOM   1501 C  CG   . GLU A 1 93  ? -38.74909 -19.87660 -8.38872  1.000 23.13824  ?  101 GLU A CG   1 
ATOM   1502 C  CD   . GLU A 1 93  ? -37.28819 -19.71485 -7.98293  1.000 32.04098  ?  101 GLU A CD   1 
ATOM   1503 O  OE1  . GLU A 1 93  ? -36.75933 -20.55565 -7.23054  1.000 37.57997  ?  101 GLU A OE1  1 
ATOM   1504 O  OE2  . GLU A 1 93  ? -36.66771 -18.73664 -8.42454  1.000 31.55395  ?  101 GLU A OE2  1 
ATOM   1505 H  H    . GLU A 1 93  ? -41.03858 -20.44507 -6.69962  1.000 20.95948  ?  101 GLU A H    1 
ATOM   1506 H  HA   . GLU A 1 93  ? -41.00778 -21.11626 -9.19784  1.000 21.35748  ?  101 GLU A HA   1 
ATOM   1507 H  HB2  . GLU A 1 93  ? -38.99690 -21.57056 -7.28937  1.000 22.05922  ?  101 GLU A HB2  1 
ATOM   1508 H  HB3  . GLU A 1 93  ? -38.79589 -21.86018 -8.83893  1.000 22.05922  ?  101 GLU A HB3  1 
ATOM   1509 H  HG2  . GLU A 1 93  ? -38.83044 -19.64059 -9.32605  1.000 27.78901  ?  101 GLU A HG2  1 
ATOM   1510 H  HG3  . GLU A 1 93  ? -39.28186 -19.27337 -7.84727  1.000 27.78901  ?  101 GLU A HG3  1 
ATOM   1511 N  N    . CYS A 1 94  ? -41.23544 -23.59515 -7.18684  1.000 17.21108  ?  102 CYS A N    1 
ATOM   1512 C  CA   . CYS A 1 94  ? -41.64215 -24.99685 -7.12268  1.000 18.50378  ?  102 CYS A CA   1 
ATOM   1513 C  C    . CYS A 1 94  ? -43.04430 -25.24377 -7.64590  1.000 16.08286  ?  102 CYS A C    1 
ATOM   1514 O  O    . CYS A 1 94  ? -43.30702 -26.26853 -8.29346  1.000 18.20110  ?  102 CYS A O    1 
ATOM   1515 C  CB   . CYS A 1 94  ? -41.48795 -25.59091 -5.72223  1.000 19.45206  ?  102 CYS A CB   1 
ATOM   1516 S  SG   . CYS A 1 94  ? -39.82609 -25.61906 -5.04713  1.000 21.80999  ?  102 CYS A SG   1 
ATOM   1517 H  H    . CYS A 1 94  ? -41.11130 -23.22337 -6.42135  1.000 20.67641  ?  102 CYS A H    1 
ATOM   1518 H  HA   . CYS A 1 94  ? -41.02446 -25.46759 -7.70385  1.000 22.22766  ?  102 CYS A HA   1 
ATOM   1519 H  HB2  . CYS A 1 94  ? -42.03455 -25.07111 -5.11236  1.000 23.36559  ?  102 CYS A HB2  1 
ATOM   1520 H  HB3  . CYS A 1 94  ? -41.80071 -26.50874 -5.74794  1.000 23.36559  ?  102 CYS A HB3  1 
ATOM   1521 H  HG   . CYS A 1 94  ? -39.85059 -26.14894 -3.97073  1.000 26.19511  ?  102 CYS A HG   1 
ATOM   1522 N  N    . ALA A 1 95  ? -43.95920 -24.32437 -7.36024  1.000 16.81591  ?  103 ALA A N    1 
ATOM   1523 C  CA   . ALA A 1 95  ? -45.31052 -24.45732 -7.88567  1.000 17.89110  ?  103 ALA A CA   1 
ATOM   1524 C  C    . ALA A 1 95  ? -45.30625 -24.34904 -9.40308  1.000 18.30193  ?  103 ALA A C    1 
ATOM   1525 O  O    . ALA A 1 95  ? -46.00870 -25.09367 -10.08871 1.000 16.74930  ?  103 ALA A O    1 
ATOM   1526 C  CB   . ALA A 1 95  ? -46.22217 -23.39615 -7.27186  1.000 17.85255  ?  103 ALA A CB   1 
ATOM   1527 H  H    . ALA A 1 95  ? -43.82610 -23.62759 -6.87404  1.000 20.20222  ?  103 ALA A H    1 
ATOM   1528 H  HA   . ALA A 1 95  ? -45.66442 -25.32633 -7.63976  1.000 21.49244  ?  103 ALA A HA   1 
ATOM   1529 H  HB1  . ALA A 1 95  ? -47.12489 -23.52591 -7.60228  1.000 21.44618  ?  103 ALA A HB1  1 
ATOM   1530 H  HB2  . ALA A 1 95  ? -46.20711 -23.48710 -6.30625  1.000 21.44618  ?  103 ALA A HB2  1 
ATOM   1531 H  HB3  . ALA A 1 95  ? -45.89988 -22.51738 -7.52641  1.000 21.44618  ?  103 ALA A HB3  1 
ATOM   1532 N  N    . LEU A 1 96  ? -44.49524 -23.43995 -9.94527  1.000 18.46652  ?  104 LEU A N    1 
ATOM   1533 C  CA   . LEU A 1 96  ? -44.37892 -23.29977 -11.39275 1.000 18.66301  ?  104 LEU A CA   1 
ATOM   1534 C  C    . LEU A 1 96  ? -43.87240 -24.58456 -12.03429 1.000 16.98693  ?  104 LEU A C    1 
ATOM   1535 O  O    . LEU A 1 96  ? -44.44183 -25.05829 -13.02050 1.000 17.59184  ?  104 LEU A O    1 
ATOM   1536 C  CB   . LEU A 1 96  ? -43.44434 -22.14674 -11.69614 1.000 19.19913  ?  104 LEU A CB   1 
ATOM   1537 C  CG   . LEU A 1 96  ? -43.19073 -21.89472 -13.17962 1.000 20.79765  ?  104 LEU A CG   1 
ATOM   1538 C  CD1  . LEU A 1 96  ? -44.45251 -21.57325 -13.96547 1.000 20.92084  ?  104 LEU A CD1  1 
ATOM   1539 C  CD2  . LEU A 1 96  ? -42.19108 -20.76582 -13.29703 1.000 21.65798  ?  104 LEU A CD2  1 
ATOM   1540 H  H    . LEU A 1 96  ? -44.00364 -22.89442 -9.49769  1.000 22.18295  ?  104 LEU A H    1 
ATOM   1541 H  HA   . LEU A 1 96  ? -45.25153 -23.10898 -11.77096 1.000 22.41873  ?  104 LEU A HA   1 
ATOM   1542 H  HB2  . LEU A 1 96  ? -43.82669 -21.33660 -11.32413 1.000 23.06207  ?  104 LEU A HB2  1 
ATOM   1543 H  HB3  . LEU A 1 96  ? -42.58705 -22.33001 -11.28097 1.000 23.06207  ?  104 LEU A HB3  1 
ATOM   1544 H  HG   . LEU A 1 96  ? -42.84449 -22.70833 -13.57844 1.000 24.98029  ?  104 LEU A HG   1 
ATOM   1545 H  HD11 . LEU A 1 96  ? -44.22037 -21.45086 -14.89930 1.000 25.12812  ?  104 LEU A HD11 1 
ATOM   1546 H  HD12 . LEU A 1 96  ? -45.07776 -22.30916 -13.87377 1.000 25.12812  ?  104 LEU A HD12 1 
ATOM   1547 H  HD13 . LEU A 1 96  ? -44.84542 -20.75949 -13.61290 1.000 25.12812  ?  104 LEU A HD13 1 
ATOM   1548 H  HD21 . LEU A 1 96  ? -42.01843 -20.59323 -14.23581 1.000 26.01270  ?  104 LEU A HD21 1 
ATOM   1549 H  HD22 . LEU A 1 96  ? -42.55954 -19.97278 -12.87722 1.000 26.01270  ?  104 LEU A HD22 1 
ATOM   1550 H  HD23 . LEU A 1 96  ? -41.36907 -21.02428 -12.85160 1.000 26.01270  ?  104 LEU A HD23 1 
ATOM   1551 N  N    . LEU A 1 97  ? -42.83280 -25.18859 -11.45049 1.000 19.93746  ?  105 LEU A N    1 
ATOM   1552 C  CA   . LEU A 1 97  ? -42.31779 -26.44821 -11.97131 1.000 21.90114  ?  105 LEU A CA   1 
ATOM   1553 C  C    . LEU A 1 97  ? -43.35042 -27.55775 -11.83700 1.000 20.47178  ?  105 LEU A C    1 
ATOM   1554 O  O    . LEU A 1 97  ? -43.52819 -28.36134 -12.76089 1.000 20.20805  ?  105 LEU A O    1 
ATOM   1555 C  CB   . LEU A 1 97  ? -41.03734 -26.83402 -11.23422 1.000 24.03472  ?  105 LEU A CB   1 
ATOM   1556 C  CG   . LEU A 1 97  ? -40.37659 -28.06309 -11.84729 1.000 29.83689  ?  105 LEU A CG   1 
ATOM   1557 C  CD1  . LEU A 1 97  ? -39.87155 -27.78375 -13.24775 1.000 31.93290  ?  105 LEU A CD1  1 
ATOM   1558 C  CD2  . LEU A 1 97  ? -39.24872 -28.51005 -10.93894 1.000 30.89502  ?  105 LEU A CD2  1 
ATOM   1559 H  H    . LEU A 1 97  ? -42.41524 -24.89076 -10.76017 1.000 23.94807  ?  105 LEU A H    1 
ATOM   1560 H  HA   . LEU A 1 97  ? -42.10766 -26.33460 -12.91144 1.000 26.30449  ?  105 LEU A HA   1 
ATOM   1561 H  HB2  . LEU A 1 97  ? -40.40935 -26.09613 -11.27946 1.000 28.86479  ?  105 LEU A HB2  1 
ATOM   1562 H  HB3  . LEU A 1 97  ? -41.25015 -27.03228 -10.30885 1.000 28.86479  ?  105 LEU A HB3  1 
ATOM   1563 H  HG   . LEU A 1 97  ? -41.02648 -28.77846 -11.92970 1.000 35.82738  ?  105 LEU A HG   1 
ATOM   1564 H  HD11 . LEU A 1 97  ? -39.43758 -28.58017 -13.59167 1.000 38.34260  ?  105 LEU A HD11 1 
ATOM   1565 H  HD12 . LEU A 1 97  ? -40.62321 -27.54635 -13.81303 1.000 38.34260  ?  105 LEU A HD12 1 
ATOM   1566 H  HD13 . LEU A 1 97  ? -39.23798 -27.05001 -13.21447 1.000 38.34260  ?  105 LEU A HD13 1 
ATOM   1567 H  HD21 . LEU A 1 97  ? -38.82467 -29.29297 -11.32380 1.000 37.09715  ?  105 LEU A HD21 1 
ATOM   1568 H  HD22 . LEU A 1 97  ? -38.60356 -27.79015 -10.85887 1.000 37.09715  ?  105 LEU A HD22 1 
ATOM   1569 H  HD23 . LEU A 1 97  ? -39.61289 -28.72643 -10.06632 1.000 37.09715  ?  105 LEU A HD23 1 
ATOM   1570 N  N    . LEU A 1 98  ? -44.06521 -27.59928 -10.70516 1.000 18.61725  ?  106 LEU A N    1 
ATOM   1571 C  CA   . LEU A 1 98  ? -45.12199 -28.59692 -10.54224 1.000 18.63960  ?  106 LEU A CA   1 
ATOM   1572 C  C    . LEU A 1 98  ? -46.17596 -28.45388 -11.63603 1.000 18.43884  ?  106 LEU A C    1 
ATOM   1573 O  O    . LEU A 1 98  ? -46.57850 -29.44041 -12.26369 1.000 19.09792  ?  106 LEU A O    1 
ATOM   1574 C  CB   . LEU A 1 98  ? -45.74855 -28.46949 -9.14996  1.000 21.09936  ?  106 LEU A CB   1 
ATOM   1575 C  CG   . LEU A 1 98  ? -47.06604 -29.20039 -8.90328  1.000 22.90519  ?  106 LEU A CG   1 
ATOM   1576 C  CD1  . LEU A 1 98  ? -46.80940 -30.68307 -8.86149  1.000 25.30863  ?  106 LEU A CD1  1 
ATOM   1577 C  CD2  . LEU A 1 98  ? -47.72976 -28.71701 -7.59690  1.000 23.17942  ?  106 LEU A CD2  1 
ATOM   1578 H  H    . LEU A 1 98  ? -43.95878 -27.07247 -10.03377 1.000 22.36382  ?  106 LEU A H    1 
ATOM   1579 H  HA   . LEU A 1 98  ? -44.73761 -29.48466 -10.61337 1.000 22.39063  ?  106 LEU A HA   1 
ATOM   1580 H  HB2  . LEU A 1 98  ? -45.11107 -28.81347 -8.50484  1.000 25.34235  ?  106 LEU A HB2  1 
ATOM   1581 H  HB3  . LEU A 1 98  ? -45.91374 -27.52823 -8.98369  1.000 25.34235  ?  106 LEU A HB3  1 
ATOM   1582 H  HG   . LEU A 1 98  ? -47.68645 -29.00976 -9.62414  1.000 27.50935  ?  106 LEU A HG   1 
ATOM   1583 H  HD11 . LEU A 1 98  ? -47.65450 -31.14695 -8.75413  1.000 30.39347  ?  106 LEU A HD11 1 
ATOM   1584 H  HD12 . LEU A 1 98  ? -46.38652 -30.95388 -9.69139  1.000 30.39347  ?  106 LEU A HD12 1 
ATOM   1585 H  HD13 . LEU A 1 98  ? -46.22565 -30.88155 -8.11266  1.000 30.39347  ?  106 LEU A HD13 1 
ATOM   1586 H  HD21 . LEU A 1 98  ? -48.59090 -29.15286 -7.50014  1.000 27.83842  ?  106 LEU A HD21 1 
ATOM   1587 H  HD22 . LEU A 1 98  ? -47.15712 -28.94605 -6.84822  1.000 27.83842  ?  106 LEU A HD22 1 
ATOM   1588 H  HD23 . LEU A 1 98  ? -47.84878 -27.75531 -7.64022  1.000 27.83842  ?  106 LEU A HD23 1 
ATOM   1589 N  N    . GLU A 1 99  ? -46.62538 -27.22832 -11.89144 1.000 18.58474  ?  107 GLU A N    1 
ATOM   1590 C  CA   . GLU A 1 99  ? -47.69124 -27.03955 -12.87399 1.000 18.82507  ?  107 GLU A CA   1 
ATOM   1591 C  C    . GLU A 1 99  ? -47.20729 -27.37907 -14.27419 1.000 17.67741  ?  107 GLU A C    1 
ATOM   1592 O  O    . GLU A 1 99  ? -47.98107 -27.90484 -15.08348 1.000 17.28606  ?  107 GLU A O    1 
ATOM   1593 C  CB   . GLU A 1 99  ? -48.18490 -25.59132 -12.80373 1.000 20.64304  ?  107 GLU A CB   1 
ATOM   1594 C  CG   . GLU A 1 99  ? -48.93752 -25.22379 -11.53311 1.000 25.00709  ?  107 GLU A CG   1 
ATOM   1595 C  CD   . GLU A 1 99  ? -50.37408 -25.71827 -11.44080 1.000 29.45531  ?  107 GLU A CD   1 
ATOM   1596 O  OE1  . GLU A 1 99  ? -50.91361 -26.26882 -12.41743 1.000 30.52569  ?  107 GLU A OE1  1 
ATOM   1597 O  OE2  . GLU A 1 99  ? -50.98124 -25.52967 -10.36485 1.000 32.11992  ?  107 GLU A OE2  1 
ATOM   1598 H  H    . GLU A 1 99  ? -46.33911 -26.50715 -11.52055 1.000 22.32481  ?  107 GLU A H    1 
ATOM   1599 H  HA   . GLU A 1 99  ? -48.43856 -27.62350 -12.67047 1.000 22.61320  ?  107 GLU A HA   1 
ATOM   1600 H  HB2  . GLU A 1 99  ? -47.41650 -25.00261 -12.86608 1.000 24.79476  ?  107 GLU A HB2  1 
ATOM   1601 H  HB3  . GLU A 1 99  ? -48.78374 -25.43544 -13.55072 1.000 24.79476  ?  107 GLU A HB3  1 
ATOM   1602 H  HG2  . GLU A 1 99  ? -48.45754 -25.59721 -10.77741 1.000 30.03163  ?  107 GLU A HG2  1 
ATOM   1603 H  HG3  . GLU A 1 99  ? -48.96317 -24.25654 -11.46469 1.000 30.03163  ?  107 GLU A HG3  1 
ATOM   1604 N  N    . LYS A 1 100 ? -45.93823 -27.11073 -14.57263 1.000 18.72114  ?  108 LYS A N    1 
ATOM   1605 C  CA   . LYS A 1 100 ? -45.37775 -27.51567 -15.86007 1.000 20.32894  ?  108 LYS A CA   1 
ATOM   1606 C  C    . LYS A 1 100 ? -45.35399 -29.04296 -15.98804 1.000 19.20053  ?  108 LYS A C    1 
ATOM   1607 O  O    . LYS A 1 100 ? -45.66811 -29.59956 -17.04934 1.000 20.21747  ?  108 LYS A O    1 
ATOM   1608 C  CB   . LYS A 1 100 ? -43.96734 -26.94117 -15.98399 1.000 21.56547  ?  108 LYS A CB   1 
ATOM   1609 C  CG   . LYS A 1 100 ? -43.97127 -25.49606 -16.44281 1.000 24.02225  ?  108 LYS A CG   1 
ATOM   1610 C  CD   . LYS A 1 100 ? -42.56492 -24.90249 -16.44852 1.000 25.37071  ?  108 LYS A CD   1 
ATOM   1611 C  CE   . LYS A 1 100 ? -42.60124 -23.43318 -16.81801 1.000 29.95212  ?  108 LYS A CE   1 
ATOM   1612 N  NZ   . LYS A 1 100 ? -41.25037 -22.80434 -16.81764 1.000 32.20495  ?  108 LYS A NZ   1 
ATOM   1613 H  H    . LYS A 1 100 ? -45.38677 -26.70104 -14.05528 1.000 22.48849  ?  108 LYS A H    1 
ATOM   1614 H  HA   . LYS A 1 100 ? -45.92140 -27.16618 -16.58340 1.000 24.41784  ?  108 LYS A HA   1 
ATOM   1615 H  HB2  . LYS A 1 100 ? -43.53103 -26.98213 -15.11862 1.000 25.90168  ?  108 LYS A HB2  1 
ATOM   1616 H  HB3  . LYS A 1 100 ? -43.46833 -27.46251 -16.63214 1.000 25.90168  ?  108 LYS A HB3  1 
ATOM   1617 H  HG2  . LYS A 1 100 ? -44.32578 -25.44687 -17.34436 1.000 28.84982  ?  108 LYS A HG2  1 
ATOM   1618 H  HG3  . LYS A 1 100 ? -44.52091 -24.97009 -15.84103 1.000 28.84982  ?  108 LYS A HG3  1 
ATOM   1619 H  HD2  . LYS A 1 100 ? -42.17382 -24.98791 -15.56498 1.000 30.46797  ?  108 LYS A HD2  1 
ATOM   1620 H  HD3  . LYS A 1 100 ? -42.01877 -25.37002 -17.09970 1.000 30.46797  ?  108 LYS A HD3  1 
ATOM   1621 H  HE2  . LYS A 1 100 ? -42.97472 -23.34019 -17.70839 1.000 35.96566  ?  108 LYS A HE2  1 
ATOM   1622 H  HE3  . LYS A 1 100 ? -43.15250 -22.95920 -16.17586 1.000 35.96566  ?  108 LYS A HE3  1 
ATOM   1623 H  HZ1  . LYS A 1 100 ? -41.31233 -21.94979 -17.05847 1.000 38.66906  ?  108 LYS A HZ1  1 
ATOM   1624 H  HZ2  . LYS A 1 100 ? -40.89365 -22.84985 -16.00352 1.000 38.66906  ?  108 LYS A HZ2  1 
ATOM   1625 H  HZ3  . LYS A 1 100 ? -40.71723 -23.22800 -17.39068 1.000 38.66906  ?  108 LYS A HZ3  1 
ATOM   1626 N  N    . ASN A 1 101 ? -44.99120 -29.73778 -14.91376 1.000 19.04138  ?  109 ASN A N    1 
ATOM   1627 C  CA   . ASN A 1 101 ? -44.98907 -31.19621 -14.95728 1.000 21.89464  ?  109 ASN A CA   1 
ATOM   1628 C  C    . ASN A 1 101 ? -46.39798 -31.76366 -15.09826 1.000 20.99172  ?  109 ASN A C    1 
ATOM   1629 O  O    . ASN A 1 101 ? -46.60106 -32.73806 -15.83111 1.000 22.14951  ?  109 ASN A O    1 
ATOM   1630 C  CB   . ASN A 1 101 ? -44.25552 -31.72306 -13.73332 1.000 24.30271  ?  109 ASN A CB   1 
ATOM   1631 C  CG   . ASN A 1 101 ? -42.74006 -31.53103 -13.83168 1.000 29.42032  ?  109 ASN A CG   1 
ATOM   1632 O  OD1  . ASN A 1 101 ? -42.17232 -31.47980 -14.92581 1.000 33.85197  ?  109 ASN A OD1  1 
ATOM   1633 N  ND2  . ASN A 1 101 ? -42.08925 -31.40439 -12.68875 1.000 31.06741  ?  109 ASN A ND2  1 
ATOM   1634 H  H    . ASN A 1 101 ? -44.74696 -29.39706 -14.16285 1.000 22.87278  ?  109 ASN A H    1 
ATOM   1635 H  HA   . ASN A 1 101 ? -44.50701 -31.50548 -15.74014 1.000 26.29669  ?  109 ASN A HA   1 
ATOM   1636 H  HB2  . ASN A 1 101 ? -44.56877 -31.24883 -12.94726 1.000 29.18638  ?  109 ASN A HB2  1 
ATOM   1637 H  HB3  . ASN A 1 101 ? -44.43344 -32.67213 -13.64103 1.000 29.18638  ?  109 ASN A HB3  1 
ATOM   1638 H  HD21 . ASN A 1 101 ? -42.51858 -31.43208 -11.94410 1.000 37.30401  ?  109 ASN A HD21 1 
ATOM   1639 H  HD22 . ASN A 1 101 ? -41.23633 -31.29428 -12.68951 1.000 37.30401  ?  109 ASN A HD22 1 
ATOM   1640 N  N    . VAL A 1 102 ? -47.38391 -31.16945 -14.41848 1.000 18.26210  ?  110 VAL A N    1 
ATOM   1641 C  CA   . VAL A 1 102 ? -48.76574 -31.61612 -14.56837 1.000 17.99303  ?  110 VAL A CA   1 
ATOM   1642 C  C    . VAL A 1 102 ? -49.24056 -31.36683 -15.98415 1.000 18.43287  ?  110 VAL A C    1 
ATOM   1643 O  O    . VAL A 1 102 ? -49.93150 -32.20631 -16.57704 1.000 19.28374  ?  110 VAL A O    1 
ATOM   1644 C  CB   . VAL A 1 102 ? -49.67117 -30.92244 -13.53839 1.000 20.43212  ?  110 VAL A CB   1 
ATOM   1645 C  CG1  . VAL A 1 102 ? -51.14942 -31.25435 -13.77780 1.000 24.44559  ?  110 VAL A CG1  1 
ATOM   1646 C  CG2  . VAL A 1 102 ? -49.24878 -31.30032 -12.11830 1.000 21.07533  ?  110 VAL A CG2  1 
ATOM   1647 H  H    . VAL A 1 102 ? -47.27827 -30.51412 -13.87169 1.000 21.93764  ?  110 VAL A H    1 
ATOM   1648 H  HA   . VAL A 1 102 ? -48.80282 -32.57025 -14.39760 1.000 21.61475  ?  110 VAL A HA   1 
ATOM   1649 H  HB   . VAL A 1 102 ? -49.57258 -29.96290 -13.64072 1.000 24.54166  ?  110 VAL A HB   1 
ATOM   1650 H  HG11 . VAL A 1 102 ? -51.66493 -30.97530 -13.00496 1.000 29.35782  ?  110 VAL A HG11 1 
ATOM   1651 H  HG12 . VAL A 1 102 ? -51.45531 -30.78165 -14.56767 1.000 29.35782  ?  110 VAL A HG12 1 
ATOM   1652 H  HG13 . VAL A 1 102 ? -51.24109 -32.21110 -13.90866 1.000 29.35782  ?  110 VAL A HG13 1 
ATOM   1653 H  HG21 . VAL A 1 102 ? -49.76926 -30.78129 -11.48536 1.000 25.31351  ?  110 VAL A HG21 1 
ATOM   1654 H  HG22 . VAL A 1 102 ? -49.41063 -32.24697 -11.98204 1.000 25.31351  ?  110 VAL A HG22 1 
ATOM   1655 H  HG23 . VAL A 1 102 ? -48.30474 -31.10685 -12.00759 1.000 25.31351  ?  110 VAL A HG23 1 
ATOM   1656 N  N    . ASN A 1 103 ? -48.85456 -30.22334 -16.55399 1.000 19.76858  ?  111 ASN A N    1 
ATOM   1657 C  CA   . ASN A 1 103 ? -49.20292 -29.91068 -17.93210 1.000 18.35052  ?  111 ASN A CA   1 
ATOM   1658 C  C    . ASN A 1 103 ? -48.62318 -30.93718 -18.89774 1.000 18.03773  ?  111 ASN A C    1 
ATOM   1659 O  O    . ASN A 1 103 ? -49.31445 -31.41758 -19.79582 1.000 18.93901  ?  111 ASN A O    1 
ATOM   1660 C  CB   . ASN A 1 103 ? -48.69610 -28.51636 -18.28310 1.000 19.64043  ?  111 ASN A CB   1 
ATOM   1661 C  CG   . ASN A 1 103 ? -49.32034 -27.97839 -19.53495 1.000 21.02386  ?  111 ASN A CG   1 
ATOM   1662 O  OD1  . ASN A 1 103 ? -50.50302 -28.20617 -19.81771 1.000 20.37307  ?  111 ASN A OD1  1 
ATOM   1663 N  ND2  . ASN A 1 103 ? -48.53339 -27.23423 -20.29414 1.000 23.69997  ?  111 ASN A ND2  1 
ATOM   1664 H  H    . ASN A 1 103 ? -48.39073 -29.61449 -16.16185 1.000 23.74542  ?  111 ASN A H    1 
ATOM   1665 H  HA   . ASN A 1 103 ? -50.16882 -29.92534 -18.02000 1.000 22.04374  ?  111 ASN A HA   1 
ATOM   1666 H  HB2  . ASN A 1 103 ? -48.90758 -27.90970 -17.55637 1.000 23.59164  ?  111 ASN A HB2  1 
ATOM   1667 H  HB3  . ASN A 1 103 ? -47.73600 -28.55213 -18.41666 1.000 23.59164  ?  111 ASN A HB3  1 
ATOM   1668 H  HD21 . ASN A 1 103 ? -48.83501 -26.89724 -21.02562 1.000 28.46308  ?  111 ASN A HD21 1 
ATOM   1669 H  HD22 . ASN A 1 103 ? -47.72009 -27.08736 -20.05629 1.000 28.46308  ?  111 ASN A HD22 1 
ATOM   1670 N  N    . GLN A 1 104 ? -47.35420 -31.30185 -18.72066 1.000 19.40472  ?  112 GLN A N    1 
ATOM   1671 C  CA   . GLN A 1 104 ? -46.76526 -32.30865 -19.59668 1.000 21.32855  ?  112 GLN A CA   1 
ATOM   1672 C  C    . GLN A 1 104 ? -47.53092 -33.62326 -19.50042 1.000 19.00063  ?  112 GLN A C    1 
ATOM   1673 O  O    . GLN A 1 104 ? -47.78126 -34.27943 -20.51499 1.000 18.88085  ?  112 GLN A O    1 
ATOM   1674 C  CB   . GLN A 1 104 ? -45.28886 -32.49914 -19.26772 1.000 24.34473  ?  112 GLN A CB   1 
ATOM   1675 C  CG   . GLN A 1 104 ? -44.51551 -33.30703 -20.30733 1.000 30.86590  ?  112 GLN A CG   1 
ATOM   1676 C  CD   . GLN A 1 104 ? -44.59754 -32.70611 -21.72040 1.000 38.57588  ?  112 GLN A CD   1 
ATOM   1677 O  OE1  . GLN A 1 104 ? -44.24054 -31.54086 -21.93971 1.000 42.67742  ?  112 GLN A OE1  1 
ATOM   1678 N  NE2  . GLN A 1 104 ? -45.04842 -33.51402 -22.68481 1.000 42.24557  ?  112 GLN A NE2  1 
ATOM   1679 H  H    . GLN A 1 104 ? -46.82725 -30.98980 -18.11689 1.000 23.30878  ?  112 GLN A H    1 
ATOM   1680 H  HA   . GLN A 1 104 ? -46.81522 -32.00150 -20.51540 1.000 25.61738  ?  112 GLN A HA   1 
ATOM   1681 H  HB2  . GLN A 1 104 ? -44.87055 -31.62641 -19.20247 1.000 29.23680  ?  112 GLN A HB2  1 
ATOM   1682 H  HB3  . GLN A 1 104 ? -45.21763 -32.96539 -18.42011 1.000 29.23680  ?  112 GLN A HB3  1 
ATOM   1683 H  HG2  . GLN A 1 104 ? -43.58079 -33.33852 -20.05003 1.000 37.06220  ?  112 GLN A HG2  1 
ATOM   1684 H  HG3  . GLN A 1 104 ? -44.88019 -34.20516 -20.34315 1.000 37.06220  ?  112 GLN A HG3  1 
ATOM   1685 H  HE21 . GLN A 1 104 ? -45.27394 -34.32260 -22.49788 1.000 50.71780  ?  112 GLN A HE21 1 
ATOM   1686 H  HE22 . GLN A 1 104 ? -45.11304 -33.22534 -23.49232 1.000 50.71780  ?  112 GLN A HE22 1 
ATOM   1687 N  N    . SER A 1 105 ? -47.93756 -34.01169 -18.29398 1.000 18.05222  ?  113 SER A N    1 
ATOM   1688 C  CA   . SER A 1 105 ? -48.70637 -35.24163 -18.14259 1.000 18.34302  ?  113 SER A CA   1 
ATOM   1689 C  C    . SER A 1 105 ? -50.04542 -35.13632 -18.86051 1.000 17.47739  ?  113 SER A C    1 
ATOM   1690 O  O    . SER A 1 105 ? -50.49833 -36.09986 -19.49253 1.000 17.63178  ?  113 SER A O    1 
ATOM   1691 C  CB   . SER A 1 105 ? -48.89581 -35.53697 -16.65078 1.000 20.51241  ?  113 SER A CB   1 
ATOM   1692 O  OG   . SER A 1 105 ? -49.71381 -36.67750 -16.43108 1.000 25.11681  ?  113 SER A OG   1 
ATOM   1693 H  H    . SER A 1 105 ? -47.78438 -33.58903 -17.56084 1.000 21.68578  ?  113 SER A H    1 
ATOM   1694 H  HA   . SER A 1 105 ? -48.22224 -35.98423 -18.53637 1.000 22.03475  ?  113 SER A HA   1 
ATOM   1695 H  HB2  . SER A 1 105 ? -48.02582 -35.69734 -16.25291 1.000 24.63801  ?  113 SER A HB2  1 
ATOM   1696 H  HB3  . SER A 1 105 ? -49.31523 -34.76868 -16.23280 1.000 24.63801  ?  113 SER A HB3  1 
ATOM   1697 H  HG   . SER A 1 105 ? -49.69870 -36.88966 -15.61845 1.000 30.16329  ?  113 SER A HG   1 
ATOM   1698 N  N    . LEU A 1 106 ? -50.68285 -33.96547 -18.79855 1.000 17.07891  ?  114 LEU A N    1 
ATOM   1699 C  CA   . LEU A 1 106 ? -51.96907 -33.79514 -19.47456 1.000 17.80306  ?  114 LEU A CA   1 
ATOM   1700 C  C    . LEU A 1 106 ? -51.81191 -33.82552 -20.99267 1.000 16.63390  ?  114 LEU A C    1 
ATOM   1701 O  O    . LEU A 1 106 ? -52.68486 -34.33804 -21.70553 1.000 17.73026  ?  114 LEU A O    1 
ATOM   1702 C  CB   . LEU A 1 106 ? -52.60444 -32.48304 -19.02080 1.000 17.53434  ?  114 LEU A CB   1 
ATOM   1703 C  CG   . LEU A 1 106 ? -53.18936 -32.46680 -17.60345 1.000 17.13427  ?  114 LEU A CG   1 
ATOM   1704 C  CD1  . LEU A 1 106 ? -53.36841 -31.01683 -17.14262 1.000 19.49734  ?  114 LEU A CD1  1 
ATOM   1705 C  CD2  . LEU A 1 106 ? -54.48636 -33.27927 -17.51577 1.000 18.17040  ?  114 LEU A CD2  1 
ATOM   1706 H  H    . LEU A 1 106 ? -50.39886 -33.26925 -18.38115 1.000 20.51781  ?  114 LEU A H    1 
ATOM   1707 H  HA   . LEU A 1 106 ? -52.55903 -34.52508 -19.22954 1.000 21.38679  ?  114 LEU A HA   1 
ATOM   1708 H  HB2  . LEU A 1 106 ? -51.92590 -31.79088 -19.05817 1.000 21.06432  ?  114 LEU A HB2  1 
ATOM   1709 H  HB3  . LEU A 1 106 ? -53.32798 -32.27163 -19.63128 1.000 21.06432  ?  114 LEU A HB3  1 
ATOM   1710 H  HG   . LEU A 1 106 ? -52.57429 -32.89892 -16.99038 1.000 20.58424  ?  114 LEU A HG   1 
ATOM   1711 H  HD11 . LEU A 1 106 ? -53.91305 -31.00550 -16.34004 1.000 23.41993  ?  114 LEU A HD11 1 
ATOM   1712 H  HD12 . LEU A 1 106 ? -52.49654 -30.63479 -16.95613 1.000 23.41993  ?  114 LEU A HD12 1 
ATOM   1713 H  HD13 . LEU A 1 106 ? -53.80637 -30.51348 -17.84671 1.000 23.41993  ?  114 LEU A HD13 1 
ATOM   1714 H  HD21 . LEU A 1 106 ? -54.81299 -33.25518 -16.60273 1.000 21.82760  ?  114 LEU A HD21 1 
ATOM   1715 H  HD22 . LEU A 1 106 ? -55.14410 -32.88956 -18.11277 1.000 21.82760  ?  114 LEU A HD22 1 
ATOM   1716 H  HD23 . LEU A 1 106 ? -54.30356 -34.19520 -17.77762 1.000 21.82760  ?  114 LEU A HD23 1 
ATOM   1717 N  N    . LEU A 1 107 ? -50.71522 -33.26354 -21.50329 1.000 18.90523  ?  115 LEU A N    1 
ATOM   1718 C  CA   . LEU A 1 107 ? -50.47228 -33.29232 -22.93365 1.000 18.96962  ?  115 LEU A CA   1 
ATOM   1719 C  C    . LEU A 1 107 ? -50.17133 -34.69902 -23.41981 1.000 19.22703  ?  115 LEU A C    1 
ATOM   1720 O  O    . LEU A 1 107 ? -50.59933 -35.07962 -24.52137 1.000 19.39307  ?  115 LEU A O    1 
ATOM   1721 C  CB   . LEU A 1 107 ? -49.35312 -32.33011 -23.29689 1.000 18.45832  ?  115 LEU A CB   1 
ATOM   1722 C  CG   . LEU A 1 107 ? -49.70920 -30.85583 -23.10716 1.000 20.80878  ?  115 LEU A CG   1 
ATOM   1723 C  CD1  . LEU A 1 107 ? -48.46754 -29.94627 -23.15168 1.000 22.38157  ?  115 LEU A CD1  1 
ATOM   1724 C  CD2  . LEU A 1 107 ? -50.72826 -30.43370 -24.16041 1.000 19.68611  ?  115 LEU A CD2  1 
ATOM   1725 H  H    . LEU A 1 107 ? -50.10655 -32.86528 -21.04448 1.000 22.70940  ?  115 LEU A H    1 
ATOM   1726 H  HA   . LEU A 1 107 ? -51.26947 -32.99012 -23.39632 1.000 22.78666  ?  115 LEU A HA   1 
ATOM   1727 H  HB2  . LEU A 1 107 ? -48.58522 -32.52266 -22.73639 1.000 22.17310  ?  115 LEU A HB2  1 
ATOM   1728 H  HB3  . LEU A 1 107 ? -49.12358 -32.46044 -24.23028 1.000 22.17310  ?  115 LEU A HB3  1 
ATOM   1729 H  HG   . LEU A 1 107 ? -50.09882 -30.74436 -22.22588 1.000 24.99365  ?  115 LEU A HG   1 
ATOM   1730 H  HD11 . LEU A 1 107 ? -48.74284 -29.02845 -23.00098 1.000 26.88101  ?  115 LEU A HD11 1 
ATOM   1731 H  HD12 . LEU A 1 107 ? -47.84784 -30.22371 -22.45894 1.000 26.88101  ?  115 LEU A HD12 1 
ATOM   1732 H  HD13 . LEU A 1 107 ? -48.04798 -30.02702 -24.02251 1.000 26.88101  ?  115 LEU A HD13 1 
ATOM   1733 H  HD21 . LEU A 1 107 ? -50.96066 -29.50253 -24.01964 1.000 23.64645  ?  115 LEU A HD21 1 
ATOM   1734 H  HD22 . LEU A 1 107 ? -50.33793 -30.54772 -25.04106 1.000 23.64645  ?  115 LEU A HD22 1 
ATOM   1735 H  HD23 . LEU A 1 107 ? -51.51923 -30.98862 -24.07481 1.000 23.64645  ?  115 LEU A HD23 1 
ATOM   1736 N  N    . GLU A 1 108 ? -49.49166 -35.49800 -22.59138 1.000 19.19343  ?  116 GLU A N    1 
ATOM   1737 C  CA   . GLU A 1 108 ? -49.26725 -36.90233 -22.91769 1.000 20.00487  ?  116 GLU A CA   1 
ATOM   1738 C  C    . GLU A 1 108 ? -50.58649 -37.66097 -22.89917 1.000 19.26201  ?  116 GLU A C    1 
ATOM   1739 O  O    . GLU A 1 108 ? -50.82469 -38.51902 -23.75241 1.000 20.18243  ?  116 GLU A O    1 
ATOM   1740 C  CB   . GLU A 1 108 ? -48.29811 -37.51475 -21.91312 1.000 23.76945  ?  116 GLU A CB   1 
ATOM   1741 C  CG   . GLU A 1 108 ? -46.85783 -37.24403 -22.23363 1.000 29.46796  ?  116 GLU A CG   1 
ATOM   1742 C  CD   . GLU A 1 108 ? -45.91514 -37.56701 -21.08998 1.000 34.86576  ?  116 GLU A CD   1 
ATOM   1743 O  OE1  . GLU A 1 108 ? -46.36493 -38.14519 -20.08033 1.000 36.89510  ?  116 GLU A OE1  1 
ATOM   1744 O  OE2  . GLU A 1 108 ? -44.71893 -37.23593 -21.19433 1.000 37.04992  ?  116 GLU A OE2  1 
ATOM   1745 H  H    . GLU A 1 108 ? -49.15348 -35.25107 -21.84021 1.000 23.05523  ?  116 GLU A H    1 
ATOM   1746 H  HA   . GLU A 1 108 ? -48.87375 -36.97249 -23.80151 1.000 24.02896  ?  116 GLU A HA   1 
ATOM   1747 H  HB2  . GLU A 1 108 ? -48.48219 -37.14552 -21.03523 1.000 28.54645  ?  116 GLU A HB2  1 
ATOM   1748 H  HB3  . GLU A 1 108 ? -48.42489 -38.47636 -21.90183 1.000 28.54645  ?  116 GLU A HB3  1 
ATOM   1749 H  HG2  . GLU A 1 108 ? -46.59857 -37.78660 -22.99475 1.000 35.38468  ?  116 GLU A HG2  1 
ATOM   1750 H  HG3  . GLU A 1 108 ? -46.75540 -36.30326 -22.44657 1.000 35.38468  ?  116 GLU A HG3  1 
ATOM   1751 N  N    . LEU A 1 109 ? -51.47570 -37.32051 -21.95291 1.000 18.66997  ?  117 LEU A N    1 
ATOM   1752 C  CA   . LEU A 1 109 ? -52.78482 -37.96891 -21.90906 1.000 19.55473  ?  117 LEU A CA   1 
ATOM   1753 C  C    . LEU A 1 109 ? -53.60721 -37.59175 -23.14708 1.000 18.87826  ?  117 LEU A C    1 
ATOM   1754 O  O    . LEU A 1 109 ? -54.29222 -38.44173 -23.73959 1.000 17.98363  ?  117 LEU A O    1 
ATOM   1755 C  CB   . LEU A 1 109 ? -53.49533 -37.59410 -20.60904 1.000 21.24778  ?  117 LEU A CB   1 
ATOM   1756 C  CG   . LEU A 1 109 ? -54.89931 -38.11538 -20.34212 1.000 24.90887  ?  117 LEU A CG   1 
ATOM   1757 C  CD1  . LEU A 1 109 ? -55.00632 -39.61192 -20.47420 1.000 26.37293  ?  117 LEU A CD1  1 
ATOM   1758 C  CD2  . LEU A 1 109 ? -55.34403 -37.68208 -18.94727 1.000 25.94234  ?  117 LEU A CD2  1 
ATOM   1759 H  H    . LEU A 1 109 ? -51.34466 -36.73053 -21.34106 1.000 22.42708  ?  117 LEU A H    1 
ATOM   1760 H  HA   . LEU A 1 109 ? -52.68475 -38.93374 -21.91003 1.000 23.48880  ?  117 LEU A HA   1 
ATOM   1761 H  HB2  . LEU A 1 109 ? -52.94393 -37.91251 -19.87728 1.000 25.52046  ?  117 LEU A HB2  1 
ATOM   1762 H  HB3  . LEU A 1 109 ? -53.55551 -36.62634 -20.58236 1.000 25.52046  ?  117 LEU A HB3  1 
ATOM   1763 H  HG   . LEU A 1 109 ? -55.48941 -37.73889 -21.01363 1.000 29.91376  ?  117 LEU A HG   1 
ATOM   1764 H  HD11 . LEU A 1 109 ? -55.92340 -39.87907 -20.30541 1.000 31.67064  ?  117 LEU A HD11 1 
ATOM   1765 H  HD12 . LEU A 1 109 ? -54.74698 -39.86898 -21.37285 1.000 31.67064  ?  117 LEU A HD12 1 
ATOM   1766 H  HD13 . LEU A 1 109 ? -54.41590 -40.02905 -19.82745 1.000 31.67064  ?  117 LEU A HD13 1 
ATOM   1767 H  HD21 . LEU A 1 109 ? -56.25087 -37.99081 -18.79483 1.000 31.15393  ?  117 LEU A HD21 1 
ATOM   1768 H  HD22 . LEU A 1 109 ? -54.74687 -38.07230 -18.28998 1.000 31.15393  ?  117 LEU A HD22 1 
ATOM   1769 H  HD23 . LEU A 1 109 ? -55.31032 -36.71427 -18.89149 1.000 31.15393  ?  117 LEU A HD23 1 
ATOM   1770 N  N    . HIS A 1 110 ? -53.50115 -36.34132 -23.58628 1.000 19.05691  ?  118 HIS A N    1 
ATOM   1771 C  CA   . HIS A 1 110 ? -54.20918 -35.92193 -24.79018 1.000 17.69919  ?  118 HIS A CA   1 
ATOM   1772 C  C    . HIS A 1 110 ? -53.67362 -36.65675 -26.01751 1.000 19.21193  ?  118 HIS A C    1 
ATOM   1773 O  O    . HIS A 1 110 ? -54.44688 -37.11671 -26.86809 1.000 19.43744  ?  118 HIS A O    1 
ATOM   1774 C  CB   . HIS A 1 110 ? -54.08473 -34.40623 -24.94913 1.000 18.87102  ?  118 HIS A CB   1 
ATOM   1775 C  CG   . HIS A 1 110 ? -54.97903 -33.85835 -26.00657 1.000 19.27519  ?  118 HIS A CG   1 
ATOM   1776 N  ND1  . HIS A 1 110 ? -54.70368 -33.99164 -27.35403 1.000 21.81031  ?  118 HIS A ND1  1 
ATOM   1777 C  CD2  . HIS A 1 110 ? -56.15542 -33.19414 -25.92103 1.000 20.11520  ?  118 HIS A CD2  1 
ATOM   1778 C  CE1  . HIS A 1 110 ? -55.67801 -33.43665 -28.04834 1.000 19.84815  ?  118 HIS A CE1  1 
ATOM   1779 N  NE2  . HIS A 1 110 ? -56.57173 -32.94702 -27.20296 1.000 20.29134  ?  118 HIS A NE2  1 
ATOM   1780 H  H    . HIS A 1 110 ? -53.03285 -35.72492 -23.21164 1.000 22.89141  ?  118 HIS A H    1 
ATOM   1781 H  HA   . HIS A 1 110 ? -55.15200 -36.13521 -24.70957 1.000 21.26215  ?  118 HIS A HA   1 
ATOM   1782 H  HB2  . HIS A 1 110 ? -54.31854 -33.98109 -24.10920 1.000 22.66834  ?  118 HIS A HB2  1 
ATOM   1783 H  HB3  . HIS A 1 110 ? -53.17013 -34.18850 -25.18789 1.000 22.66834  ?  118 HIS A HB3  1 
ATOM   1784 H  HD2  . HIS A 1 110 ? -56.59762 -32.95136 -25.13973 1.000 24.16136  ?  118 HIS A HD2  1 
ATOM   1785 H  HE1  . HIS A 1 110 ? -55.72881 -33.39603 -28.97606 1.000 23.84089  ?  118 HIS A HE1  1 
ATOM   1786 H  HE2  . HIS A 1 110 ? -57.29649 -32.53966 -27.42290 1.000 24.37272  ?  118 HIS A HE2  1 
ATOM   1787 N  N    . ALA A 1 111 ? -52.35721 -36.79829 -26.11002 1.000 19.31719  ?  119 ALA A N    1 
ATOM   1788 C  CA   . ALA A 1 111 ? -51.77146 -37.52894 -27.22742 1.000 20.84698  ?  119 ALA A CA   1 
ATOM   1789 C  C    . ALA A 1 111 ? -52.24535 -38.97392 -27.25541 1.000 20.51674  ?  119 ALA A C    1 
ATOM   1790 O  O    . ALA A 1 111 ? -52.49154 -39.53477 -28.33217 1.000 21.48386  ?  119 ALA A O    1 
ATOM   1791 C  CB   . ALA A 1 111 ? -50.24675 -37.43733 -27.14743 1.000 20.93329  ?  119 ALA A CB   1 
ATOM   1792 H  H    . ALA A 1 111 ? -51.78696 -36.48564 -25.54729 1.000 23.20374  ?  119 ALA A H    1 
ATOM   1793 H  HA   . ALA A 1 111 ? -52.05132 -37.12392 -28.06320 1.000 25.03949  ?  119 ALA A HA   1 
ATOM   1794 H  HB1  . ALA A 1 111 ? -49.86113 -37.94338 -27.87962 1.000 25.14307  ?  119 ALA A HB1  1 
ATOM   1795 H  HB2  . ALA A 1 111 ? -49.98242 -36.50638 -27.21342 1.000 25.14307  ?  119 ALA A HB2  1 
ATOM   1796 H  HB3  . ALA A 1 111 ? -49.95230 -37.80550 -26.29969 1.000 25.14307  ?  119 ALA A HB3  1 
ATOM   1797 N  N    . LEU A 1 112 ? -52.36405 -39.60158 -26.08495 1.000 19.25502  ?  120 LEU A N    1 
ATOM   1798 C  CA   . LEU A 1 112 ? -52.86644 -40.96744 -26.03770 1.000 21.09155  ?  120 LEU A CA   1 
ATOM   1799 C  C    . LEU A 1 112 ? -54.32419 -41.02606 -26.48266 1.000 19.62333  ?  120 LEU A C    1 
ATOM   1800 O  O    . LEU A 1 112 ? -54.71172 -41.88644 -27.27495 1.000 21.06249  ?  120 LEU A O    1 
ATOM   1801 C  CB   . LEU A 1 112 ? -52.71001 -41.51655 -24.62277 1.000 21.98223  ?  120 LEU A CB   1 
ATOM   1802 C  CG   . LEU A 1 112 ? -53.31805 -42.89329 -24.35706 1.000 25.18967  ?  120 LEU A CG   1 
ATOM   1803 C  CD1  . LEU A 1 112 ? -52.60243 -43.97916 -25.13481 1.000 27.32976  ?  120 LEU A CD1  1 
ATOM   1804 C  CD2  . LEU A 1 112 ? -53.26617 -43.19262 -22.85346 1.000 26.50859  ?  120 LEU A CD2  1 
ATOM   1805 H  H    . LEU A 1 112 ? -52.16379 -39.26326 -25.32007 1.000 23.12914  ?  120 LEU A H    1 
ATOM   1806 H  HA   . LEU A 1 112 ? -52.34749 -41.52296 -26.64017 1.000 25.33297  ?  120 LEU A HA   1 
ATOM   1807 H  HB2  . LEU A 1 112 ? -51.76191 -41.58082 -24.42814 1.000 26.40180  ?  120 LEU A HB2  1 
ATOM   1808 H  HB3  . LEU A 1 112 ? -53.13301 -40.89462 -24.01025 1.000 26.40180  ?  120 LEU A HB3  1 
ATOM   1809 H  HG   . LEU A 1 112 ? -54.24168 -42.89151 -24.65339 1.000 30.25073  ?  120 LEU A HG   1 
ATOM   1810 H  HD11 . LEU A 1 112 ? -53.03594 -44.82947 -24.96177 1.000 32.81883  ?  120 LEU A HD11 1 
ATOM   1811 H  HD12 . LEU A 1 112 ? -52.64732 -43.77154 -26.08126 1.000 32.81883  ?  120 LEU A HD12 1 
ATOM   1812 H  HD13 . LEU A 1 112 ? -51.67662 -44.01538 -24.84766 1.000 32.81883  ?  120 LEU A HD13 1 
ATOM   1813 H  HD21 . LEU A 1 112 ? -53.64893 -44.06927 -22.69259 1.000 31.83342  ?  120 LEU A HD21 1 
ATOM   1814 H  HD22 . LEU A 1 112 ? -52.34179 -43.17636 -22.55994 1.000 31.83342  ?  120 LEU A HD22 1 
ATOM   1815 H  HD23 . LEU A 1 112 ? -53.77574 -42.51710 -22.37921 1.000 31.83342  ?  120 LEU A HD23 1 
ATOM   1816 N  N    . ALA A 1 113 ? -55.15214 -40.11345 -25.98085 1.000 20.24141  ?  121 ALA A N    1 
ATOM   1817 C  CA   . ALA A 1 113 ? -56.55756 -40.09747 -26.37359 1.000 19.35581  ?  121 ALA A CA   1 
ATOM   1818 C  C    . ALA A 1 113 ? -56.70300 -39.88281 -27.87565 1.000 19.82240  ?  121 ALA A C    1 
ATOM   1819 O  O    . ALA A 1 113 ? -57.57341 -40.48558 -28.51344 1.000 21.10060  ?  121 ALA A O    1 
ATOM   1820 C  CB   . ALA A 1 113 ? -57.28494 -38.99632 -25.60371 1.000 20.57506  ?  121 ALA A CB   1 
ATOM   1821 H  H    . ALA A 1 113 ? -54.92936 -39.50118 -25.41951 1.000 24.31281  ?  121 ALA A H    1 
ATOM   1822 H  HA   . ALA A 1 113 ? -56.96403 -40.94980 -26.15175 1.000 23.25009  ?  121 ALA A HA   1 
ATOM   1823 H  HB1  . ALA A 1 113 ? -58.22803 -39.02363 -25.82896 1.000 24.71319  ?  121 ALA A HB1  1 
ATOM   1824 H  HB2  . ALA A 1 113 ? -57.16759 -39.14568 -24.65249 1.000 24.71319  ?  121 ALA A HB2  1 
ATOM   1825 H  HB3  . ALA A 1 113 ? -56.91025 -38.13684 -25.85229 1.000 24.71319  ?  121 ALA A HB3  1 
ATOM   1826 N  N    . SER A 1 114 ? -55.86804 -39.01512 -28.45688 1.000 22.77246  ?  122 SER A N    1 
ATOM   1827 C  CA   . SER A 1 114 ? -55.88872 -38.82659 -29.90671 1.000 23.02850  ?  122 SER A CA   1 
ATOM   1828 C  C    . SER A 1 114 ? -55.50905 -40.10440 -30.63547 1.000 21.06172  ?  122 SER A C    1 
ATOM   1829 O  O    . SER A 1 114 ? -56.15642 -40.49266 -31.61272 1.000 22.75694  ?  122 SER A O    1 
ATOM   1830 C  CB   . SER A 1 114 ? -54.98450 -37.66789 -30.34277 1.000 25.72719  ?  122 SER A CB   1 
ATOM   1831 O  OG   . SER A 1 114 ? -55.24474 -36.49658 -29.60701 1.000 26.92985  ?  122 SER A OG   1 
ATOM   1832 H  H    . SER A 1 114 ? -55.29072 -38.53253 -28.04047 1.000 27.35007  ?  122 SER A H    1 
ATOM   1833 H  HA   . SER A 1 114 ? -56.79530 -38.58670 -30.15463 1.000 27.65732  ?  122 SER A HA   1 
ATOM   1834 H  HB2  . SER A 1 114 ? -54.05950 -37.92463 -30.20364 1.000 30.89575  ?  122 SER A HB2  1 
ATOM   1835 H  HB3  . SER A 1 114 ? -55.14078 -37.48696 -31.28284 1.000 30.89575  ?  122 SER A HB3  1 
ATOM   1836 H  HG   . SER A 1 114 ? -54.75846 -35.86980 -29.88322 1.000 32.33893  ?  122 SER A HG   1 
ATOM   1837 N  N    . ASP A 1 115 ? -54.44944 -40.77158 -30.17994 1.000 23.54168  ?  123 ASP A N    1 
ATOM   1838 C  CA   . ASP A 1 115 ? -54.03003 -42.01308 -30.82379 1.000 24.62744  ?  123 ASP A CA   1 
ATOM   1839 C  C    . ASP A 1 115 ? -55.11366 -43.07219 -30.77008 1.000 25.63293  ?  123 ASP A C    1 
ATOM   1840 O  O    . ASP A 1 115 ? -55.23676 -43.87763 -31.70424 1.000 25.51773  ?  123 ASP A O    1 
ATOM   1841 C  CB   . ASP A 1 115 ? -52.73739 -42.53435 -30.19648 1.000 27.03534  ?  123 ASP A CB   1 
ATOM   1842 C  CG   . ASP A 1 115 ? -51.52302 -41.69657 -30.56294 1.000 35.24609  ?  123 ASP A CG   1 
ATOM   1843 O  OD1  . ASP A 1 115 ? -51.63166 -40.83076 -31.45465 1.000 38.64969  ?  123 ASP A OD1  1 
ATOM   1844 O  OD2  . ASP A 1 115 ? -50.44700 -41.91523 -29.97031 1.000 39.78974  ?  123 ASP A OD2  1 
ATOM   1845 H  H    . ASP A 1 115 ? -53.96470 -40.53119 -29.51148 1.000 28.27314  ?  123 ASP A H    1 
ATOM   1846 H  HA   . ASP A 1 115 ? -53.84675 -41.82427 -31.75741 1.000 29.57604  ?  123 ASP A HA   1 
ATOM   1847 H  HB2  . ASP A 1 115 ? -52.82838 -42.52339 -29.23082 1.000 32.46552  ?  123 ASP A HB2  1 
ATOM   1848 H  HB3  . ASP A 1 115 ? -52.58005 -43.44054 -30.50462 1.000 32.46552  ?  123 ASP A HB3  1 
ATOM   1849 N  N    . LYS A 1 116 ? -55.90282 -43.08379 -29.69687 1.000 22.95695  ?  124 LYS A N    1 
ATOM   1850 C  CA   . LYS A 1 116 ? -56.96299 -44.05967 -29.50956 1.000 22.93279  ?  124 LYS A CA   1 
ATOM   1851 C  C    . LYS A 1 116 ? -58.28922 -43.62858 -30.12629 1.000 24.27452  ?  124 LYS A C    1 
ATOM   1852 O  O    . LYS A 1 116 ? -59.28215 -44.35941 -30.01481 1.000 26.13420  ?  124 LYS A O    1 
ATOM   1853 C  CB   . LYS A 1 116 ? -57.16651 -44.33474 -28.01903 1.000 24.36380  ?  124 LYS A CB   1 
ATOM   1854 C  CG   . LYS A 1 116 ? -55.99932 -45.02020 -27.28124 1.000 28.24308  ?  124 LYS A CG   1 
ATOM   1855 C  CD   . LYS A 1 116 ? -55.41911 -46.18832 -28.05142 1.000 34.69655  ?  124 LYS A CD   1 
ATOM   1856 C  CE   . LYS A 1 116 ? -54.09610 -46.66548 -27.46388 1.000 37.67950  ?  124 LYS A CE   1 
ATOM   1857 N  NZ   . LYS A 1 116 ? -53.50791 -47.76802 -28.29597 1.000 40.24158  ?  124 LYS A NZ   1 
ATOM   1858 H  H    . LYS A 1 116 ? -55.83866 -42.52082 -29.04991 1.000 27.57146  ?  124 LYS A H    1 
ATOM   1859 H  HA   . LYS A 1 116 ? -56.69254 -44.88787 -29.93599 1.000 27.54247  ?  124 LYS A HA   1 
ATOM   1860 H  HB2  . LYS A 1 116 ? -57.32495 -43.48694 -27.57515 1.000 29.25968  ?  124 LYS A HB2  1 
ATOM   1861 H  HB3  . LYS A 1 116 ? -57.94146 -44.90999 -27.92194 1.000 29.25968  ?  124 LYS A HB3  1 
ATOM   1862 H  HG2  . LYS A 1 116 ? -55.29052 -44.37296 -27.14129 1.000 33.91481  ?  124 LYS A HG2  1 
ATOM   1863 H  HG3  . LYS A 1 116 ? -56.31747 -45.35355 -26.42769 1.000 33.91481  ?  124 LYS A HG3  1 
ATOM   1864 H  HD2  . LYS A 1 116 ? -56.04509 -46.92888 -28.02642 1.000 41.65897  ?  124 LYS A HD2  1 
ATOM   1865 H  HD3  . LYS A 1 116 ? -55.26163 -45.91790 -28.96955 1.000 41.65897  ?  124 LYS A HD3  1 
ATOM   1866 H  HE2  . LYS A 1 116 ? -53.46698 -45.92749 -27.44191 1.000 45.23852  ?  124 LYS A HE2  1 
ATOM   1867 H  HE3  . LYS A 1 116 ? -54.24354 -47.00256 -26.56636 1.000 45.23852  ?  124 LYS A HE3  1 
ATOM   1868 H  HZ1  . LYS A 1 116 ? -52.73338 -48.03295 -27.94665 1.000 48.31302  ?  124 LYS A HZ1  1 
ATOM   1869 H  HZ2  . LYS A 1 116 ? -54.06561 -48.46115 -28.32100 1.000 48.31302  ?  124 LYS A HZ2  1 
ATOM   1870 H  HZ3  . LYS A 1 116 ? -53.36695 -47.48058 -29.12640 1.000 48.31302  ?  124 LYS A HZ3  1 
ATOM   1871 N  N    . GLY A 1 117 ? -58.33411 -42.47058 -30.77243 1.000 22.68604  ?  125 GLY A N    1 
ATOM   1872 C  CA   . GLY A 1 117 ? -59.54370 -42.00919 -31.41543 1.000 22.61291  ?  125 GLY A CA   1 
ATOM   1873 C  C    . GLY A 1 117 ? -60.67188 -41.79040 -30.43278 1.000 22.08969  ?  125 GLY A C    1 
ATOM   1874 O  O    . GLY A 1 117 ? -61.81012 -42.21992 -30.67671 1.000 22.41456  ?  125 GLY A O    1 
ATOM   1875 H  H    . GLY A 1 117 ? -57.66822 -41.93201 -30.85075 1.000 27.24637  ?  125 GLY A H    1 
ATOM   1876 H  HA2  . GLY A 1 117 ? -59.36601 -41.17018 -31.86863 1.000 27.15861  ?  125 GLY A HA2  1 
ATOM   1877 H  HA3  . GLY A 1 117 ? -59.83040 -42.66643 -32.06867 1.000 27.15861  ?  125 GLY A HA3  1 
ATOM   1878 N  N    . ASP A 1 118 ? -60.35815 -41.09476 -29.31327 1.000 20.73540  ?  126 ASP A N    1 
ATOM   1879 C  CA   . ASP A 1 118 ? -61.32003 -40.80802 -28.25281 1.000 19.69423  ?  126 ASP A CA   1 
ATOM   1880 C  C    . ASP A 1 118 ? -61.55392 -39.30542 -28.20244 1.000 20.16049  ?  126 ASP A C    1 
ATOM   1881 O  O    . ASP A 1 118 ? -60.93655 -38.59888 -27.38897 1.000 19.00969  ?  126 ASP A O    1 
ATOM   1882 C  CB   . ASP A 1 118 ? -60.80551 -41.40137 -26.94455 1.000 20.03815  ?  126 ASP A CB   1 
ATOM   1883 C  CG   . ASP A 1 118 ? -61.82499 -41.31186 -25.80312 1.000 22.67135  ?  126 ASP A CG   1 
ATOM   1884 O  OD1  . ASP A 1 118 ? -62.83892 -40.58654 -25.90782 1.000 21.79076  ?  126 ASP A OD1  1 
ATOM   1885 O  OD2  . ASP A 1 118 ? -61.64797 -42.07673 -24.83868 1.000 25.26950  ?  126 ASP A OD2  1 
ATOM   1886 H  H    . ASP A 1 118 ? -59.57525 -40.77699 -29.15298 1.000 24.90560  ?  126 ASP A H    1 
ATOM   1887 H  HA   . ASP A 1 118 ? -62.18725 -41.21108 -28.41518 1.000 23.65619  ?  126 ASP A HA   1 
ATOM   1888 H  HB2  . ASP A 1 118 ? -60.59531 -42.33791 -27.08458 1.000 24.06890  ?  126 ASP A HB2  1 
ATOM   1889 H  HB3  . ASP A 1 118 ? -60.00887 -40.91971 -26.67200 1.000 24.06890  ?  126 ASP A HB3  1 
ATOM   1890 N  N    . PRO A 1 119 ? -62.42527 -38.78363 -29.08033 1.000 19.61137  ?  127 PRO A N    1 
ATOM   1891 C  CA   . PRO A 1 119 ? -62.63368 -37.32856 -29.11196 1.000 20.31094  ?  127 PRO A CA   1 
ATOM   1892 C  C    . PRO A 1 119 ? -63.30196 -36.79312 -27.86715 1.000 20.26273  ?  127 PRO A C    1 
ATOM   1893 O  O    . PRO A 1 119 ? -63.09823 -35.62458 -27.51404 1.000 20.52467  ?  127 PRO A O    1 
ATOM   1894 C  CB   . PRO A 1 119 ? -63.50077 -37.11551 -30.36067 1.000 19.01092  ?  127 PRO A CB   1 
ATOM   1895 C  CG   . PRO A 1 119 ? -64.14805 -38.43163 -30.58519 1.000 19.65937  ?  127 PRO A CG   1 
ATOM   1896 C  CD   . PRO A 1 119 ? -63.16509 -39.46243 -30.16160 1.000 19.11334  ?  127 PRO A CD   1 
ATOM   1897 H  HA   . PRO A 1 119 ? -61.78450 -36.87693 -29.23773 1.000 24.39624  ?  127 PRO A HA   1 
ATOM   1898 H  HB2  . PRO A 1 119 ? -64.16111 -36.42485 -30.19382 1.000 22.83622  ?  127 PRO A HB2  1 
ATOM   1899 H  HB3  . PRO A 1 119 ? -62.94357 -36.86657 -31.11463 1.000 22.83622  ?  127 PRO A HB3  1 
ATOM   1900 H  HG2  . PRO A 1 119 ? -64.95613 -38.49113 -30.05194 1.000 23.61436  ?  127 PRO A HG2  1 
ATOM   1901 H  HG3  . PRO A 1 119 ? -64.36316 -38.53134 -31.52577 1.000 23.61436  ?  127 PRO A HG3  1 
ATOM   1902 H  HD2  . PRO A 1 119 ? -63.61475 -40.25532 -29.82989 1.000 22.95913  ?  127 PRO A HD2  1 
ATOM   1903 H  HD3  . PRO A 1 119 ? -62.57269 -39.69833 -30.89256 1.000 22.95913  ?  127 PRO A HD3  1 
ATOM   1904 N  N    . HIS A 1 120 ? -64.08886 -37.61166 -27.17442 1.000 17.35319  ?  128 HIS A N    1 
ATOM   1905 C  CA   . HIS A 1 120 ? -64.71644 -37.13259 -25.95517 1.000 17.50170  ?  128 HIS A CA   1 
ATOM   1906 C  C    . HIS A 1 120 ? -63.65591 -36.81958 -24.90575 1.000 17.55911  ?  128 HIS A C    1 
ATOM   1907 O  O    . HIS A 1 120 ? -63.72958 -35.80519 -24.21185 1.000 18.39509  ?  128 HIS A O    1 
ATOM   1908 C  CB   . HIS A 1 120 ? -65.70174 -38.18562 -25.43940 1.000 19.28384  ?  128 HIS A CB   1 
ATOM   1909 C  CG   . HIS A 1 120 ? -66.30099 -37.80263 -24.13054 1.000 18.07209  ?  128 HIS A CG   1 
ATOM   1910 N  ND1  . HIS A 1 120 ? -65.85380 -38.32417 -22.94091 1.000 18.35343  ?  128 HIS A ND1  1 
ATOM   1911 C  CD2  . HIS A 1 120 ? -67.26861 -36.91074 -23.81887 1.000 19.97090  ?  128 HIS A CD2  1 
ATOM   1912 C  CE1  . HIS A 1 120 ? -66.53035 -37.77341 -21.94832 1.000 18.23009  ?  128 HIS A CE1  1 
ATOM   1913 N  NE2  . HIS A 1 120 ? -67.38540 -36.90392 -22.45309 1.000 19.33797  ?  128 HIS A NE2  1 
ATOM   1914 H  H    . HIS A 1 120 ? -64.26909 -38.42580 -27.38490 1.000 20.84695  ?  128 HIS A H    1 
ATOM   1915 H  HA   . HIS A 1 120 ? -65.21640 -36.32126 -26.13595 1.000 21.02516  ?  128 HIS A HA   1 
ATOM   1916 H  HB2  . HIS A 1 120 ? -66.42053 -38.29026 -26.08229 1.000 23.16373  ?  128 HIS A HB2  1 
ATOM   1917 H  HB3  . HIS A 1 120 ? -65.23495 -39.02800 -25.32362 1.000 23.16373  ?  128 HIS A HB3  1 
ATOM   1918 H  HD2  . HIS A 1 120 ? -67.76187 -36.39852 -24.41823 1.000 23.98820  ?  128 HIS A HD2  1 
ATOM   1919 H  HE1  . HIS A 1 120 ? -66.42207 -37.96627 -21.04500 1.000 21.89923  ?  128 HIS A HE1  1 
ATOM   1920 H  HE2  . HIS A 1 120 ? -67.92702 -36.41349 -21.99952 1.000 23.22869  ?  128 HIS A HE2  1 
ATOM   1921 N  N    . LEU A 1 121 ? -62.67308 -37.69601 -24.76047 1.000 17.16088  ?  129 LEU A N    1 
ATOM   1922 C  CA   . LEU A 1 121 ? -61.61711 -37.46273 -23.78605 1.000 18.17287  ?  129 LEU A CA   1 
ATOM   1923 C  C    . LEU A 1 121 ? -60.74562 -36.28404 -24.20691 1.000 18.41371  ?  129 LEU A C    1 
ATOM   1924 O  O    . LEU A 1 121 ? -60.35027 -35.46275 -23.37105 1.000 17.26442  ?  129 LEU A O    1 
ATOM   1925 C  CB   . LEU A 1 121 ? -60.77773 -38.73534 -23.64718 1.000 18.23679  ?  129 LEU A CB   1 
ATOM   1926 C  CG   . LEU A 1 121 ? -59.61068 -38.71986 -22.66393 1.000 20.94969  ?  129 LEU A CG   1 
ATOM   1927 C  CD1  . LEU A 1 121 ? -60.02842 -38.19942 -21.30839 1.000 20.88610  ?  129 LEU A CD1  1 
ATOM   1928 C  CD2  . LEU A 1 121 ? -58.96901 -40.09768 -22.55642 1.000 21.02604  ?  129 LEU A CD2  1 
ATOM   1929 H  H    . LEU A 1 121 ? -62.59355 -38.42615 -25.20787 1.000 20.61618  ?  129 LEU A H    1 
ATOM   1930 H  HA   . LEU A 1 121 ? -62.00482 -37.25404 -22.92175 1.000 21.83056  ?  129 LEU A HA   1 
ATOM   1931 H  HB2  . LEU A 1 121 ? -61.37023 -39.44964 -23.36503 1.000 21.90727  ?  129 LEU A HB2  1 
ATOM   1932 H  HB3  . LEU A 1 121 ? -60.40465 -38.93871 -24.51916 1.000 21.90727  ?  129 LEU A HB3  1 
ATOM   1933 H  HG   . LEU A 1 121 ? -58.93795 -38.10908 -23.00345 1.000 25.16275  ?  129 LEU A HG   1 
ATOM   1934 H  HD11 . LEU A 1 121 ? -59.25935 -38.20486 -20.71729 1.000 25.08644  ?  129 LEU A HD11 1 
ATOM   1935 H  HD12 . LEU A 1 121 ? -60.36337 -37.29445 -21.40706 1.000 25.08644  ?  129 LEU A HD12 1 
ATOM   1936 H  HD13 . LEU A 1 121 ? -60.72449 -38.77261 -20.95083 1.000 25.08644  ?  129 LEU A HD13 1 
ATOM   1937 H  HD21 . LEU A 1 121 ? -58.23969 -40.05746 -21.91816 1.000 25.25437  ?  129 LEU A HD21 1 
ATOM   1938 H  HD22 . LEU A 1 121 ? -59.63646 -40.73435 -22.25634 1.000 25.25437  ?  129 LEU A HD22 1 
ATOM   1939 H  HD23 . LEU A 1 121 ? -58.63189 -40.35791 -23.42793 1.000 25.25437  ?  129 LEU A HD23 1 
ATOM   1940 N  N    . CYS A 1 122 ? -60.44960 -36.17539 -25.50025 1.000 19.43046  ?  130 CYS A N    1 
ATOM   1941 C  CA   . CYS A 1 122 ? -59.66924 -35.04039 -25.98701 1.000 21.50760  ?  130 CYS A CA   1 
ATOM   1942 C  C    . CYS A 1 122 ? -60.37545 -33.73017 -25.64582 1.000 19.37838  ?  130 CYS A C    1 
ATOM   1943 O  O    . CYS A 1 122 ? -59.75268 -32.78856 -25.13838 1.000 19.71747  ?  130 CYS A O    1 
ATOM   1944 C  CB   . CYS A 1 122 ? -59.54324 -35.17824 -27.50550 1.000 22.39638  ?  130 CYS A CB   1 
ATOM   1945 S  SG   . CYS A 1 122 ? -58.26689 -36.37587 -27.95271 1.000 24.10663  ?  130 CYS A SG   1 
ATOM   1946 H  H    . CYS A 1 122 ? -60.68465 -36.73635 -26.10826 1.000 23.33967  ?  130 CYS A H    1 
ATOM   1947 H  HA   . CYS A 1 122 ? -58.78873 -35.03253 -25.58014 1.000 25.83223  ?  130 CYS A HA   1 
ATOM   1948 H  HB2  . CYS A 1 122 ? -60.38904 -35.48054 -27.87174 1.000 26.89878  ?  130 CYS A HB2  1 
ATOM   1949 H  HB3  . CYS A 1 122 ? -59.30458 -34.31903 -27.88720 1.000 26.89878  ?  130 CYS A HB3  1 
ATOM   1950 H  HG   . CYS A 1 122 ? -58.39570 -36.67077 -29.10875 1.000 28.95107  ?  130 CYS A HG   1 
ATOM   1951 N  N    . ASP A 1 123 ? -61.68097 -33.65878 -25.92275 1.000 18.47012  ?  131 ASP A N    1 
ATOM   1952 C  CA   . ASP A 1 123 ? -62.44763 -32.45236 -25.65151 1.000 18.88235  ?  131 ASP A CA   1 
ATOM   1953 C  C    . ASP A 1 123 ? -62.52631 -32.16427 -24.16008 1.000 20.92480  ?  131 ASP A C    1 
ATOM   1954 O  O    . ASP A 1 123 ? -62.42878 -31.00682 -23.74081 1.000 20.31813  ?  131 ASP A O    1 
ATOM   1955 C  CB   . ASP A 1 123 ? -63.85978 -32.59017 -26.21214 1.000 22.26745  ?  131 ASP A CB   1 
ATOM   1956 C  CG   . ASP A 1 123 ? -64.75851 -31.46008 -25.76071 1.000 26.13372  ?  131 ASP A CG   1 
ATOM   1957 O  OD1  . ASP A 1 123 ? -64.65638 -30.34494 -26.32288 1.000 27.01410  ?  131 ASP A OD1  1 
ATOM   1958 O  OD2  . ASP A 1 123 ? -65.52002 -31.67842 -24.78846 1.000 28.39961  ?  131 ASP A OD2  1 
ATOM   1959 H  H    . ASP A 1 123 ? -62.14239 -34.29719 -26.26790 1.000 22.18726  ?  131 ASP A H    1 
ATOM   1960 H  HA   . ASP A 1 123 ? -62.00441 -31.70922 -26.08990 1.000 22.68194  ?  131 ASP A HA   1 
ATOM   1961 H  HB2  . ASP A 1 123 ? -63.82123 -32.57881 -27.18131 1.000 26.74406  ?  131 ASP A HB2  1 
ATOM   1962 H  HB3  . ASP A 1 123 ? -64.24519 -33.42573 -25.90522 1.000 26.74406  ?  131 ASP A HB3  1 
ATOM   1963 N  N    . PHE A 1 124 ? -62.68755 -33.20792 -23.33883 1.000 18.12140  ?  132 PHE A N    1 
ATOM   1964 C  CA   . PHE A 1 124 ? -62.70444 -33.02109 -21.89034 1.000 17.95638  ?  132 PHE A CA   1 
ATOM   1965 C  C    . PHE A 1 124 ? -61.42222 -32.34868 -21.41945 1.000 18.62799  ?  132 PHE A C    1 
ATOM   1966 O  O    . PHE A 1 124 ? -61.45407 -31.39440 -20.63205 1.000 18.91501  ?  132 PHE A O    1 
ATOM   1967 C  CB   . PHE A 1 124 ? -62.88532 -34.38680 -21.23300 1.000 19.35667  ?  132 PHE A CB   1 
ATOM   1968 C  CG   . PHE A 1 124 ? -62.75099 -34.39022 -19.75513 1.000 22.18247  ?  132 PHE A CG   1 
ATOM   1969 C  CD1  . PHE A 1 124 ? -63.83668 -34.13720 -18.94913 1.000 24.57987  ?  132 PHE A CD1  1 
ATOM   1970 C  CD2  . PHE A 1 124 ? -61.54755 -34.69676 -19.16601 1.000 22.50142  ?  132 PHE A CD2  1 
ATOM   1971 C  CE1  . PHE A 1 124 ? -63.71833 -34.17919 -17.57823 1.000 25.53474  ?  132 PHE A CE1  1 
ATOM   1972 C  CE2  . PHE A 1 124 ? -61.42090 -34.73713 -17.78724 1.000 25.18012  ?  132 PHE A CE2  1 
ATOM   1973 C  CZ   . PHE A 1 124 ? -62.51128 -34.47907 -16.99784 1.000 23.46461  ?  132 PHE A CZ   1 
ATOM   1974 H  H    . PHE A 1 124 ? -62.78777 -34.02300 -23.59418 1.000 21.76880  ?  132 PHE A H    1 
ATOM   1975 H  HA   . PHE A 1 124 ? -63.44406 -32.44930 -21.63167 1.000 21.57077  ?  132 PHE A HA   1 
ATOM   1976 H  HB2  . PHE A 1 124 ? -63.77281 -34.71548 -21.44567 1.000 23.25112  ?  132 PHE A HB2  1 
ATOM   1977 H  HB3  . PHE A 1 124 ? -62.21411 -34.99042 -21.58799 1.000 23.25112  ?  132 PHE A HB3  1 
ATOM   1978 H  HD1  . PHE A 1 124 ? -64.65888 -33.93575 -19.33423 1.000 29.51897  ?  132 PHE A HD1  1 
ATOM   1979 H  HD2  . PHE A 1 124 ? -60.80853 -34.87947 -19.70020 1.000 27.02482  ?  132 PHE A HD2  1 
ATOM   1980 H  HE1  . PHE A 1 124 ? -64.45877 -34.00377 -17.04356 1.000 30.66481  ?  132 PHE A HE1  1 
ATOM   1981 H  HE2  . PHE A 1 124 ? -60.60009 -34.93835 -17.39906 1.000 30.23926  ?  132 PHE A HE2  1 
ATOM   1982 H  HZ   . PHE A 1 124 ? -62.43343 -34.50708 -16.07153 1.000 28.18065  ?  132 PHE A HZ   1 
ATOM   1983 N  N    . LEU A 1 125 ? -60.28141 -32.83106 -21.89807 1.000 16.92710  ?  133 LEU A N    1 
ATOM   1984 C  CA   . LEU A 1 125 ? -59.01077 -32.26204 -21.47840 1.000 17.60488  ?  133 LEU A CA   1 
ATOM   1985 C  C    . LEU A 1 125 ? -58.85571 -30.83204 -21.97458 1.000 17.33120  ?  133 LEU A C    1 
ATOM   1986 O  O    . LEU A 1 125 ? -58.38498 -29.96486 -21.23061 1.000 17.31002  ?  133 LEU A O    1 
ATOM   1987 C  CB   . LEU A 1 125 ? -57.87754 -33.12838 -22.00681 1.000 18.61568  ?  133 LEU A CB   1 
ATOM   1988 C  CG   . LEU A 1 125 ? -57.83702 -34.51529 -21.38788 1.000 20.19693  ?  133 LEU A CG   1 
ATOM   1989 C  CD1  . LEU A 1 125 ? -56.83100 -35.39346 -22.13640 1.000 20.94050  ?  133 LEU A CD1  1 
ATOM   1990 C  CD2  . LEU A 1 125 ? -57.48378 -34.43401 -19.90691 1.000 20.37491  ?  133 LEU A CD2  1 
ATOM   1991 H  H    . LEU A 1 125 ? -60.21692 -33.47910 -22.45975 1.000 20.33564  ?  133 LEU A H    1 
ATOM   1992 H  HA   . LEU A 1 125 ? -58.97048 -32.24819 -20.50934 1.000 21.14898  ?  133 LEU A HA   1 
ATOM   1993 H  HB2  . LEU A 1 125 ? -57.98502 -33.23275 -22.96517 1.000 22.36193  ?  133 LEU A HB2  1 
ATOM   1994 H  HB3  . LEU A 1 125 ? -57.03369 -32.69092 -21.81330 1.000 22.36193  ?  133 LEU A HB3  1 
ATOM   1995 H  HG   . LEU A 1 125 ? -58.71375 -34.92403 -21.45994 1.000 24.25944  ?  133 LEU A HG   1 
ATOM   1996 H  HD11 . LEU A 1 125 ? -56.90568 -36.30499 -21.81324 1.000 25.15172  ?  133 LEU A HD11 1 
ATOM   1997 H  HD12 . LEU A 1 125 ? -57.02889 -35.36172 -23.08547 1.000 25.15172  ?  133 LEU A HD12 1 
ATOM   1998 H  HD13 . LEU A 1 125 ? -55.93583 -35.05713 -21.97373 1.000 25.15172  ?  133 LEU A HD13 1 
ATOM   1999 H  HD21 . LEU A 1 125 ? -57.35877 -35.33208 -19.56232 1.000 24.47301  ?  133 LEU A HD21 1 
ATOM   2000 H  HD22 . LEU A 1 125 ? -56.66518 -33.92370 -19.80505 1.000 24.47301  ?  133 LEU A HD22 1 
ATOM   2001 H  HD23 . LEU A 1 125 ? -58.20791 -33.99575 -19.43313 1.000 24.47301  ?  133 LEU A HD23 1 
ATOM   2002 N  N    . GLU A 1 126 ? -59.22109 -30.57266 -23.23213 1.000 21.00434  ?  134 GLU A N    1 
ATOM   2003 C  CA   . GLU A 1 126 ? -59.11277 -29.22656 -23.78329 1.000 21.64289  ?  134 GLU A CA   1 
ATOM   2004 C  C    . GLU A 1 126 ? -60.03919 -28.25738 -23.05814 1.000 20.93105  ?  134 GLU A C    1 
ATOM   2005 O  O    . GLU A 1 126 ? -59.69067 -27.09022 -22.87163 1.000 24.56307  ?  134 GLU A O    1 
ATOM   2006 C  CB   . GLU A 1 126 ? -59.48216 -29.26061 -25.26902 1.000 21.68659  ?  134 GLU A CB   1 
ATOM   2007 C  CG   . GLU A 1 126 ? -58.44070 -29.95024 -26.13655 1.000 25.39984  ?  134 GLU A CG   1 
ATOM   2008 C  CD   . GLU A 1 126 ? -58.94656 -30.34772 -27.52067 1.000 26.00215  ?  134 GLU A CD   1 
ATOM   2009 O  OE1  . GLU A 1 126 ? -59.69112 -29.56812 -28.17998 1.000 29.44730  ?  134 GLU A OE1  1 
ATOM   2010 O  OE2  . GLU A 1 126 ? -58.56600 -31.43597 -27.97612 1.000 28.67148  ?  134 GLU A OE2  1 
ATOM   2011 H  H    . GLU A 1 126 ? -59.53260 -31.15591 -23.78202 1.000 25.22832  ?  134 GLU A H    1 
ATOM   2012 H  HA   . GLU A 1 126 ? -58.19939 -28.91454 -23.68694 1.000 25.99458  ?  134 GLU A HA   1 
ATOM   2013 H  HB2  . GLU A 1 126 ? -60.31945 -29.73932 -25.37237 1.000 26.04703  ?  134 GLU A HB2  1 
ATOM   2014 H  HB3  . GLU A 1 126 ? -59.57917 -28.34980 -25.58827 1.000 26.04703  ?  134 GLU A HB3  1 
ATOM   2015 H  HG2  . GLU A 1 126 ? -57.69024 -29.34806 -26.25934 1.000 30.50293  ?  134 GLU A HG2  1 
ATOM   2016 H  HG3  . GLU A 1 126 ? -58.14754 -30.75836 -25.68721 1.000 30.50293  ?  134 GLU A HG3  1 
ATOM   2017 N  N    . THR A 1 127 ? -61.20843 -28.72997 -22.61810 1.000 21.61823  ?  135 THR A N    1 
ATOM   2018 C  CA   . THR A 1 127 ? -62.20809 -27.83732 -22.05222 1.000 23.20573  ?  135 THR A CA   1 
ATOM   2019 C  C    . THR A 1 127 ? -61.89207 -27.48149 -20.60410 1.000 23.22659  ?  135 THR A C    1 
ATOM   2020 O  O    . THR A 1 127 ? -62.10178 -26.33506 -20.18283 1.000 25.31511  ?  135 THR A O    1 
ATOM   2021 C  CB   . THR A 1 127 ? -63.55834 -28.54929 -22.11241 1.000 28.16867  ?  135 THR A CB   1 
ATOM   2022 O  OG1  . THR A 1 127 ? -63.96809 -28.63285 -23.47682 1.000 30.84111  ?  135 THR A OG1  1 
ATOM   2023 C  CG2  . THR A 1 127 ? -64.62203 -27.74383 -21.33551 1.000 29.93267  ?  135 THR A CG2  1 
ATOM   2024 H  H    . THR A 1 127 ? -61.44141 -29.55758 -22.63769 1.000 25.96500  ?  135 THR A H    1 
ATOM   2025 H  HA   . THR A 1 127 ? -62.23716 -27.01302 -22.56271 1.000 27.86999  ?  135 THR A HA   1 
ATOM   2026 H  HB   . THR A 1 127 ? -63.48434 -29.43384 -21.72127 1.000 33.82552  ?  135 THR A HB   1 
ATOM   2027 H  HG1  . THR A 1 127 ? -64.70551 -29.03138 -23.53144 1.000 37.03245  ?  135 THR A HG1  1 
ATOM   2028 H  HG21 . THR A 1 127 ? -65.49620 -28.14681 -21.45525 1.000 35.94233  ?  135 THR A HG21 1 
ATOM   2029 H  HG22 . THR A 1 127 ? -64.40628 -27.73510 -20.38985 1.000 35.94233  ?  135 THR A HG22 1 
ATOM   2030 H  HG23 . THR A 1 127 ? -64.64931 -26.83034 -21.66061 1.000 35.94233  ?  135 THR A HG23 1 
ATOM   2031 N  N    . TYR A 1 128 ? -61.41316 -28.44815 -19.81954 1.000 22.61047  ?  136 TYR A N    1 
ATOM   2032 C  CA   . TYR A 1 128 ? -61.29758 -28.24767 -18.38803 1.000 23.88197  ?  136 TYR A CA   1 
ATOM   2033 C  C    . TYR A 1 128 ? -59.86961 -28.17667 -17.89185 1.000 23.05162  ?  136 TYR A C    1 
ATOM   2034 O  O    . TYR A 1 128 ? -59.66482 -27.70110 -16.77497 1.000 23.30933  ?  136 TYR A O    1 
ATOM   2035 C  CB   . TYR A 1 128 ? -61.99802 -29.38692 -17.64194 1.000 26.03959  ?  136 TYR A CB   1 
ATOM   2036 C  CG   . TYR A 1 128 ? -63.47611 -29.37080 -17.88619 1.000 28.32078  ?  136 TYR A CG   1 
ATOM   2037 C  CD1  . TYR A 1 128 ? -64.27078 -28.37233 -17.37008 1.000 30.21342  ?  136 TYR A CD1  1 
ATOM   2038 C  CD2  . TYR A 1 128 ? -64.06719 -30.33280 -18.68843 1.000 28.55250  ?  136 TYR A CD2  1 
ATOM   2039 C  CE1  . TYR A 1 128 ? -65.63048 -28.34209 -17.61548 1.000 31.63363  ?  136 TYR A CE1  1 
ATOM   2040 C  CE2  . TYR A 1 128 ? -65.41965 -30.31337 -18.94299 1.000 32.45079  ?  136 TYR A CE2  1 
ATOM   2041 C  CZ   . TYR A 1 128 ? -66.19567 -29.30740 -18.40688 1.000 31.55809  ?  136 TYR A CZ   1 
ATOM   2042 O  OH   . TYR A 1 128 ? -67.55255 -29.28456 -18.65174 1.000 35.04814  ?  136 TYR A OH   1 
ATOM   2043 H  H    . TYR A 1 128 ? -61.15276 -29.21952 -20.09664 1.000 27.15569  ?  136 TYR A H    1 
ATOM   2044 H  HA   . TYR A 1 128 ? -61.73494 -27.41211 -18.16120 1.000 28.68148  ?  136 TYR A HA   1 
ATOM   2045 H  HB2  . TYR A 1 128 ? -61.64592 -30.23673 -17.94977 1.000 31.27063  ?  136 TYR A HB2  1 
ATOM   2046 H  HB3  . TYR A 1 128 ? -61.84389 -29.28949 -16.68923 1.000 31.27063  ?  136 TYR A HB3  1 
ATOM   2047 H  HD1  . TYR A 1 128 ? -63.88596 -27.70648 -16.84714 1.000 36.27923  ?  136 TYR A HD1  1 
ATOM   2048 H  HD2  . TYR A 1 128 ? -63.54137 -31.00313 -19.06136 1.000 34.28612  ?  136 TYR A HD2  1 
ATOM   2049 H  HE1  . TYR A 1 128 ? -66.15818 -27.67129 -17.24608 1.000 37.98347  ?  136 TYR A HE1  1 
ATOM   2050 H  HE2  . TYR A 1 128 ? -65.80683 -30.97302 -19.47201 1.000 38.96406  ?  136 TYR A HE2  1 
ATOM   2051 H  HH   . TYR A 1 128 ? -67.76676 -29.93136 -19.14302 1.000 42.08089  ?  136 TYR A HH   1 
ATOM   2052 N  N    . TYR A 1 129 ? -58.89488 -28.64319 -18.67539 1.000 19.43284  ?  137 TYR A N    1 
ATOM   2053 C  CA   . TYR A 1 129 ? -57.52612 -28.79122 -18.18550 1.000 18.11501  ?  137 TYR A CA   1 
ATOM   2054 C  C    . TYR A 1 129 ? -56.49130 -27.95958 -18.93016 1.000 17.83450  ?  137 TYR A C    1 
ATOM   2055 O  O    . TYR A 1 129 ? -55.67695 -27.30320 -18.28175 1.000 18.59073  ?  137 TYR A O    1 
ATOM   2056 C  CB   . TYR A 1 129 ? -57.09802 -30.29414 -18.14278 1.000 17.82642  ?  137 TYR A CB   1 
ATOM   2057 C  CG   . TYR A 1 129 ? -57.88364 -31.02949 -17.09640 1.000 17.51454  ?  137 TYR A CG   1 
ATOM   2058 C  CD1  . TYR A 1 129 ? -59.16938 -31.45694 -17.36498 1.000 17.27021  ?  137 TYR A CD1  1 
ATOM   2059 C  CD2  . TYR A 1 129 ? -57.37331 -31.24576 -15.81646 1.000 18.57417  ?  137 TYR A CD2  1 
ATOM   2060 C  CE1  . TYR A 1 129 ? -59.92865 -32.07043 -16.40509 1.000 16.77609  ?  137 TYR A CE1  1 
ATOM   2061 C  CE2  . TYR A 1 129 ? -58.13839 -31.86474 -14.83492 1.000 17.67874  ?  137 TYR A CE2  1 
ATOM   2062 C  CZ   . TYR A 1 129 ? -59.41182 -32.27584 -15.14290 1.000 16.98160  ?  137 TYR A CZ   1 
ATOM   2063 O  OH   . TYR A 1 129 ? -60.21862 -32.87021 -14.21715 1.000 19.77048  ?  137 TYR A OH   1 
ATOM   2064 H  H    . TYR A 1 129 ? -59.00353 -28.88037 -19.49487 1.000 23.34252  ?  137 TYR A H    1 
ATOM   2065 H  HA   . TYR A 1 129 ? -57.52542 -28.46524 -17.27192 1.000 21.76113  ?  137 TYR A HA   1 
ATOM   2066 H  HB2  . TYR A 1 129 ? -57.26778 -30.70523 -19.00481 1.000 21.41482  ?  137 TYR A HB2  1 
ATOM   2067 H  HB3  . TYR A 1 129 ? -56.15493 -30.35755 -17.92495 1.000 21.41482  ?  137 TYR A HB3  1 
ATOM   2068 H  HD1  . TYR A 1 129 ? -59.52594 -31.32553 -18.21380 1.000 20.74737  ?  137 TYR A HD1  1 
ATOM   2069 H  HD2  . TYR A 1 129 ? -56.50744 -30.97148 -15.61663 1.000 22.31213  ?  137 TYR A HD2  1 
ATOM   2070 H  HE1  . TYR A 1 129 ? -60.79338 -32.34883 -16.60417 1.000 20.15443  ?  137 TYR A HE1  1 
ATOM   2071 H  HE2  . TYR A 1 129 ? -57.79284 -31.99853 -13.98193 1.000 21.23761  ?  137 TYR A HE2  1 
ATOM   2072 H  HH   . TYR A 1 129 ? -59.85808 -32.83841 -13.45913 1.000 23.74770  ?  137 TYR A HH   1 
ATOM   2073 N  N    . LEU A 1 130 ? -56.44282 -28.00428 -20.26210 1.000 18.01120  ?  138 LEU A N    1 
ATOM   2074 C  CA   . LEU A 1 130 ? -55.25381 -27.49191 -20.94474 1.000 18.66171  ?  138 LEU A CA   1 
ATOM   2075 C  C    . LEU A 1 130 ? -55.14281 -25.97013 -20.84830 1.000 19.01731  ?  138 LEU A C    1 
ATOM   2076 O  O    . LEU A 1 130 ? -54.04340 -25.43124 -20.63093 1.000 18.26798  ?  138 LEU A O    1 
ATOM   2077 C  CB   . LEU A 1 130 ? -55.22613 -27.94087 -22.39268 1.000 18.19179  ?  138 LEU A CB   1 
ATOM   2078 C  CG   . LEU A 1 130 ? -55.17149 -29.44039 -22.64187 1.000 19.00426  ?  138 LEU A CG   1 
ATOM   2079 C  CD1  . LEU A 1 130 ? -54.99188 -29.73334 -24.13399 1.000 20.06949  ?  138 LEU A CD1  1 
ATOM   2080 C  CD2  . LEU A 1 130 ? -54.06260 -30.07816 -21.84889 1.000 22.43361  ?  138 LEU A CD2  1 
ATOM   2081 H  H    . LEU A 1 130 ? -57.05999 -28.31384 -20.77481 1.000 21.63656  ?  138 LEU A H    1 
ATOM   2082 H  HA   . LEU A 1 130 ? -54.47702 -27.87043 -20.50404 1.000 22.41717  ?  138 LEU A HA   1 
ATOM   2083 H  HB2  . LEU A 1 130 ? -56.02926 -27.61005 -22.82446 1.000 21.85326  ?  138 LEU A HB2  1 
ATOM   2084 H  HB3  . LEU A 1 130 ? -54.44114 -27.55435 -22.81136 1.000 21.85326  ?  138 LEU A HB3  1 
ATOM   2085 H  HG   . LEU A 1 130 ? -56.01074 -29.83118 -22.35233 1.000 22.82823  ?  138 LEU A HG   1 
ATOM   2086 H  HD11 . LEU A 1 130 ? -55.06194 -30.68993 -24.27868 1.000 24.10650  ?  138 LEU A HD11 1 
ATOM   2087 H  HD12 . LEU A 1 130 ? -55.68459 -29.27185 -24.63205 1.000 24.10650  ?  138 LEU A HD12 1 
ATOM   2088 H  HD13 . LEU A 1 130 ? -54.11795 -29.41952 -24.41447 1.000 24.10650  ?  138 LEU A HD13 1 
ATOM   2089 H  HD21 . LEU A 1 130 ? -53.98652 -31.01045 -22.10570 1.000 26.94345  ?  138 LEU A HD21 1 
ATOM   2090 H  HD22 . LEU A 1 130 ? -53.23199 -29.61418 -22.03784 1.000 26.94345  ?  138 LEU A HD22 1 
ATOM   2091 H  HD23 . LEU A 1 130 ? -54.27126 -30.01133 -20.90396 1.000 26.94345  ?  138 LEU A HD23 1 
ATOM   2092 N  N    . ASN A 1 131 ? -56.25617 -25.25094 -21.02354 1.000 19.53785  ?  139 ASN A N    1 
ATOM   2093 C  CA   . ASN A 1 131 ? -56.18004 -23.80383 -20.86839 1.000 20.20826  ?  139 ASN A CA   1 
ATOM   2094 C  C    . ASN A 1 131 ? -56.02143 -23.41830 -19.40364 1.000 21.37497  ?  139 ASN A C    1 
ATOM   2095 O  O    . ASN A 1 131 ? -55.32305 -22.45414 -19.08881 1.000 20.49458  ?  139 ASN A O    1 
ATOM   2096 C  CB   . ASN A 1 131 ? -57.41620 -23.10162 -21.43569 1.000 22.19989  ?  139 ASN A CB   1 
ATOM   2097 C  CG   . ASN A 1 131 ? -57.25557 -21.58636 -21.45338 1.000 25.66849  ?  139 ASN A CG   1 
ATOM   2098 O  OD1  . ASN A 1 131 ? -58.13484 -20.84033 -20.99813 1.000 30.14185  ?  139 ASN A OD1  1 
ATOM   2099 N  ND2  . ASN A 1 131 ? -56.14355 -21.11931 -22.01914 1.000 20.82048  ?  139 ASN A ND2  1 
ATOM   2100 H  H    . ASN A 1 131 ? -57.03111 -25.56571 -21.22352 1.000 23.46854  ?  139 ASN A H    1 
ATOM   2101 H  HA   . ASN A 1 131 ? -55.41272 -23.49801 -21.37692 1.000 24.27303  ?  139 ASN A HA   1 
ATOM   2102 H  HB2  . ASN A 1 131 ? -57.56328 -23.40133 -22.34643 1.000 26.66299  ?  139 ASN A HB2  1 
ATOM   2103 H  HB3  . ASN A 1 131 ? -58.18600 -23.31827 -20.88672 1.000 26.66299  ?  139 ASN A HB3  1 
ATOM   2104 H  HD21 . ASN A 1 131 ? -56.00305 -20.27165 -22.05574 1.000 25.00769  ?  139 ASN A HD21 1 
ATOM   2105 H  HD22 . ASN A 1 131 ? -55.56621 -21.66546 -22.34776 1.000 25.00769  ?  139 ASN A HD22 1 
ATOM   2106 N  N    . GLU A 1 132 ? -56.63338 -24.16961 -18.49358 1.000 20.24004  ?  140 GLU A N    1 
ATOM   2107 C  CA   . GLU A 1 132 ? -56.43727 -23.87483 -17.08342 1.000 21.50862  ?  140 GLU A CA   1 
ATOM   2108 C  C    . GLU A 1 132 ? -54.95688 -23.97164 -16.72496 1.000 19.06259  ?  140 GLU A C    1 
ATOM   2109 O  O    . GLU A 1 132 ? -54.43338 -23.13877 -15.96344 1.000 19.70210  ?  140 GLU A O    1 
ATOM   2110 C  CB   . GLU A 1 132 ? -57.30721 -24.78111 -16.20975 1.000 26.46280  ?  140 GLU A CB   1 
ATOM   2111 C  CG   . GLU A 1 132 ? -57.58859 -24.14212 -14.86195 1.000 33.17176  ?  140 GLU A CG   1 
ATOM   2112 C  CD   . GLU A 1 132 ? -56.46763 -24.36754 -13.87730 1.000 37.22649  ?  140 GLU A CD   1 
ATOM   2113 O  OE1  . GLU A 1 132 ? -55.61317 -25.25617 -14.14055 1.000 37.73423  ?  140 GLU A OE1  1 
ATOM   2114 O  OE2  . GLU A 1 132 ? -56.40121 -23.63954 -12.86318 1.000 36.59121  ?  140 GLU A OE2  1 
ATOM   2115 H  H    . GLU A 1 132 ? -57.15119 -24.83514 -18.66253 1.000 24.31117  ?  140 GLU A H    1 
ATOM   2116 H  HA   . GLU A 1 132 ? -56.72929 -22.96873 -16.89737 1.000 25.83346  ?  140 GLU A HA   1 
ATOM   2117 H  HB2  . GLU A 1 132 ? -58.15355 -24.94121 -16.65582 1.000 31.77848  ?  140 GLU A HB2  1 
ATOM   2118 H  HB3  . GLU A 1 132 ? -56.84669 -25.62166 -16.06039 1.000 31.77848  ?  140 GLU A HB3  1 
ATOM   2119 H  HG2  . GLU A 1 132 ? -57.69892 -23.18571 -14.98027 1.000 39.82924  ?  140 GLU A HG2  1 
ATOM   2120 H  HG3  . GLU A 1 132 ? -58.39837 -24.52609 -14.49083 1.000 39.82924  ?  140 GLU A HG3  1 
ATOM   2121 N  N    . GLN A 1 133 ? -54.25988 -24.98267 -17.27160 1.000 18.33725  ?  141 GLN A N    1 
ATOM   2122 C  CA   . GLN A 1 133 ? -52.83437 -25.13105 -16.98713 1.000 19.81690  ?  141 GLN A CA   1 
ATOM   2123 C  C    . GLN A 1 133 ? -52.03538 -23.96874 -17.56182 1.000 18.83482  ?  141 GLN A C    1 
ATOM   2124 O  O    . GLN A 1 133 ? -51.12335 -23.45248 -16.91247 1.000 18.46016  ?  141 GLN A O    1 
ATOM   2125 C  CB   . GLN A 1 133 ? -52.26596 -26.43168 -17.55807 1.000 22.21160  ?  141 GLN A CB   1 
ATOM   2126 C  CG   . GLN A 1 133 ? -52.58102 -27.66315 -16.77244 1.000 26.37657  ?  141 GLN A CG   1 
ATOM   2127 C  CD   . GLN A 1 133 ? -52.23462 -27.53714 -15.30349 1.000 29.22358  ?  141 GLN A CD   1 
ATOM   2128 O  OE1  . GLN A 1 133 ? -53.08754 -27.71274 -14.47092 1.000 33.04363  ?  141 GLN A OE1  1 
ATOM   2129 N  NE2  . GLN A 1 133 ? -50.98821 -27.24177 -14.98711 1.000 30.64353  ?  141 GLN A NE2  1 
ATOM   2130 H  H    . GLN A 1 133 ? -54.58618 -25.57962 -17.79770 1.000 22.02782  ?  141 GLN A H    1 
ATOM   2131 H  HA   . GLN A 1 133 ? -52.74488 -25.15892 -16.02167 1.000 23.80340  ?  141 GLN A HA   1 
ATOM   2132 H  HB2  . GLN A 1 133 ? -52.62531 -26.55716 -18.45027 1.000 26.67704  ?  141 GLN A HB2  1 
ATOM   2133 H  HB3  . GLN A 1 133 ? -51.30002 -26.35227 -17.59761 1.000 26.67704  ?  141 GLN A HB3  1 
ATOM   2134 H  HG2  . GLN A 1 133 ? -53.53141 -27.84498 -16.84024 1.000 31.67500  ?  141 GLN A HG2  1 
ATOM   2135 H  HG3  . GLN A 1 133 ? -52.07433 -28.40626 -17.13569 1.000 31.67500  ?  141 GLN A HG3  1 
ATOM   2136 H  HE21 . GLN A 1 133 ? -50.40284 -27.12747 -15.60668 1.000 36.79535  ?  141 GLN A HE21 1 
ATOM   2137 H  HE22 . GLN A 1 133 ? -50.76117 -27.16354 -14.16131 1.000 36.79535  ?  141 GLN A HE22 1 
ATOM   2138 N  N    . VAL A 1 134 ? -52.34998 -23.55589 -18.79204 1.000 17.59158  ?  142 VAL A N    1 
ATOM   2139 C  CA   . VAL A 1 134 ? -51.65554 -22.42936 -19.40795 1.000 18.12141  ?  142 VAL A CA   1 
ATOM   2140 C  C    . VAL A 1 134 ? -51.81878 -21.17651 -18.55801 1.000 17.72460  ?  142 VAL A C    1 
ATOM   2141 O  O    . VAL A 1 134 ? -50.85146 -20.45642 -18.29305 1.000 18.30203  ?  142 VAL A O    1 
ATOM   2142 C  CB   . VAL A 1 134 ? -52.15112 -22.22469 -20.85436 1.000 16.24670  ?  142 VAL A CB   1 
ATOM   2143 C  CG1  . VAL A 1 134 ? -51.79566 -20.84225 -21.36335 1.000 18.85596  ?  142 VAL A CG1  1 
ATOM   2144 C  CG2  . VAL A 1 134 ? -51.58643 -23.32999 -21.74233 1.000 19.01568  ?  142 VAL A CG2  1 
ATOM   2145 H  H    . VAL A 1 134 ? -52.95803 -23.90989 -19.28657 1.000 21.13301  ?  142 VAL A H    1 
ATOM   2146 H  HA   . VAL A 1 134 ? -50.70701 -22.62829 -19.44813 1.000 21.76881  ?  142 VAL A HA   1 
ATOM   2147 H  HB   . VAL A 1 134 ? -53.11907 -22.28142 -20.88183 1.000 19.51916  ?  142 VAL A HB   1 
ATOM   2148 H  HG11 . VAL A 1 134 ? -51.91376 -20.82009 -22.32587 1.000 22.65028  ?  142 VAL A HG11 1 
ATOM   2149 H  HG12 . VAL A 1 134 ? -52.37947 -20.19133 -20.94338 1.000 22.65028  ?  142 VAL A HG12 1 
ATOM   2150 H  HG13 . VAL A 1 134 ? -50.87153 -20.65108 -21.13898 1.000 22.65028  ?  142 VAL A HG13 1 
ATOM   2151 H  HG21 . VAL A 1 134 ? -51.86303 -23.17137 -22.65842 1.000 22.84193  ?  142 VAL A HG21 1 
ATOM   2152 H  HG22 . VAL A 1 134 ? -50.61833 -23.31944 -21.68256 1.000 22.84193  ?  142 VAL A HG22 1 
ATOM   2153 H  HG23 . VAL A 1 134 ? -51.92738 -24.18531 -21.43724 1.000 22.84193  ?  142 VAL A HG23 1 
ATOM   2154 N  N    . LYS A 1 135 ? -53.04449 -20.89421 -18.11899 1.000 18.13942  ?  143 LYS A N    1 
ATOM   2155 C  CA   . LYS A 1 135 ? -53.26174 -19.68774 -17.32386 1.000 19.73347  ?  143 LYS A CA   1 
ATOM   2156 C  C    . LYS A 1 135 ? -52.54396 -19.76438 -15.98795 1.000 17.78107  ?  143 LYS A C    1 
ATOM   2157 O  O    . LYS A 1 135 ? -52.00732 -18.76158 -15.50471 1.000 18.32878  ?  143 LYS A O    1 
ATOM   2158 C  CB   . LYS A 1 135 ? -54.75040 -19.43279 -17.10206 1.000 23.83226  ?  143 LYS A CB   1 
ATOM   2159 C  CG   . LYS A 1 135 ? -55.54466 -19.10362 -18.35870 1.000 29.33139  ?  143 LYS A CG   1 
ATOM   2160 C  CD   . LYS A 1 135 ? -56.99533 -18.77070 -18.01197 1.000 32.22592  ?  143 LYS A CD   1 
ATOM   2161 C  CE   . LYS A 1 135 ? -57.69136 -19.94510 -17.35171 1.000 34.45223  ?  143 LYS A CE   1 
ATOM   2162 N  NZ   . LYS A 1 135 ? -59.18004 -19.76364 -17.25115 1.000 36.52659  ?  143 LYS A NZ   1 
ATOM   2163 H  H    . LYS A 1 135 ? -53.74643 -21.36980 -18.26285 1.000 21.79043  ?  143 LYS A H    1 
ATOM   2164 H  HA   . LYS A 1 135 ? -52.90487 -18.93803 -17.82534 1.000 23.70328  ?  143 LYS A HA   1 
ATOM   2165 H  HB2  . LYS A 1 135 ? -55.14272 -20.22909 -16.71106 1.000 28.62183  ?  143 LYS A HB2  1 
ATOM   2166 H  HB3  . LYS A 1 135 ? -54.84560 -18.68314 -16.49390 1.000 28.62183  ?  143 LYS A HB3  1 
ATOM   2167 H  HG2  . LYS A 1 135 ? -55.14950 -18.33538 -18.79979 1.000 35.22078  ?  143 LYS A HG2  1 
ATOM   2168 H  HG3  . LYS A 1 135 ? -55.53850 -19.86831 -18.95546 1.000 35.22078  ?  143 LYS A HG3  1 
ATOM   2169 H  HD2  . LYS A 1 135 ? -57.01496 -18.02000 -17.39799 1.000 38.69422  ?  143 LYS A HD2  1 
ATOM   2170 H  HD3  . LYS A 1 135 ? -57.47693 -18.54789 -18.82395 1.000 38.69422  ?  143 LYS A HD3  1 
ATOM   2171 H  HE2  . LYS A 1 135 ? -57.52244 -20.74559 -17.87284 1.000 41.36580  ?  143 LYS A HE2  1 
ATOM   2172 H  HE3  . LYS A 1 135 ? -57.34228 -20.05429 -16.45331 1.000 41.36580  ?  143 LYS A HE3  1 
ATOM   2173 H  HZ1  . LYS A 1 135 ? -59.54769 -20.47435 -16.86150 1.000 43.85503  ?  143 LYS A HZ1  1 
ATOM   2174 H  HZ2  . LYS A 1 135 ? -59.36652 -19.04025 -16.76738 1.000 43.85503  ?  143 LYS A HZ2  1 
ATOM   2175 H  HZ3  . LYS A 1 135 ? -59.53036 -19.66607 -18.06346 1.000 43.85503  ?  143 LYS A HZ3  1 
ATOM   2176 N  N    A SER A 1 136 ? -52.50199 -20.95487 -15.38312 0.806 18.54372  ?  144 SER A N    1 
ATOM   2177 N  N    B SER A 1 136 ? -52.51872 -20.94686 -15.37120 0.194 18.90009  ?  144 SER A N    1 
ATOM   2178 C  CA   A SER A 1 136 ? -51.83903 -21.10932 -14.09070 0.806 22.00689  ?  144 SER A CA   1 
ATOM   2179 C  CA   B SER A 1 136 ? -51.84032 -21.08813 -14.08673 0.194 18.31111  ?  144 SER A CA   1 
ATOM   2180 C  C    A SER A 1 136 ? -50.32690 -20.94535 -14.21194 0.806 19.23395  ?  144 SER A C    1 
ATOM   2181 C  C    B SER A 1 136 ? -50.33505 -20.90320 -14.23342 0.194 18.82948  ?  144 SER A C    1 
ATOM   2182 O  O    A SER A 1 136 ? -49.68187 -20.32216 -13.35091 0.806 18.60163  ?  144 SER A O    1 
ATOM   2183 O  O    B SER A 1 136 ? -49.69757 -20.24009 -13.40416 0.194 18.71408  ?  144 SER A O    1 
ATOM   2184 C  CB   A SER A 1 136 ? -52.17349 -22.48106 -13.51359 0.806 22.94888  ?  144 SER A CB   1 
ATOM   2185 C  CB   B SER A 1 136 ? -52.14373 -22.45921 -13.48764 0.194 16.71007  ?  144 SER A CB   1 
ATOM   2186 O  OG   A SER A 1 136 ? -53.56211 -22.63606 -13.25004 0.806 23.67905  ?  144 SER A OG   1 
ATOM   2187 O  OG   B SER A 1 136 ? -51.42560 -22.64947 -12.27728 0.194 15.99347  ?  144 SER A OG   1 
ATOM   2188 H  H    A SER A 1 136 ? -52.84543 -21.67826 -15.69676 0.806 22.27559  ?  144 SER A H    1 
ATOM   2189 H  H    B SER A 1 136 ? -52.87977 -21.66795 -15.66998 0.194 22.70323  ?  144 SER A H    1 
ATOM   2190 H  HA   A SER A 1 136 ? -52.16489 -20.42413 -13.48636 0.806 26.43138  ?  144 SER A HA   1 
ATOM   2191 H  HA   B SER A 1 136 ? -52.17361 -20.40685 -13.48203 0.194 21.99645  ?  144 SER A HA   1 
ATOM   2192 H  HB2  A SER A 1 136 ? -51.90227 -23.15945 -14.15166 0.806 27.56177  ?  144 SER A HB2  1 
ATOM   2193 H  HB2  B SER A 1 136 ? -53.09425 -22.52078 -13.30429 0.194 20.07520  ?  144 SER A HB2  1 
ATOM   2194 H  HB3  A SER A 1 136 ? -51.68653 -22.59387 -12.68231 0.806 27.56177  ?  144 SER A HB3  1 
ATOM   2195 H  HB3  B SER A 1 136 ? -51.88292 -23.14581 -14.12125 0.194 20.07520  ?  144 SER A HB3  1 
ATOM   2196 H  HG   B SER A 1 136 ? -51.64259 -23.38121 -11.92646 0.194 19.21529  ?  144 SER A HG   1 
ATOM   2197 N  N    . ILE A 1 137 ? -49.75240 -21.48834 -15.28188 1.000 18.72321  ?  145 ILE A N    1 
ATOM   2198 C  CA   . ILE A 1 137 ? -48.32606 -21.34076 -15.52911 1.000 17.20176  ?  145 ILE A CA   1 
ATOM   2199 C  C    . ILE A 1 137 ? -47.97215 -19.88746 -15.79834 1.000 16.56291  ?  145 ILE A C    1 
ATOM   2200 O  O    . ILE A 1 137 ? -46.95847 -19.37822 -15.29789 1.000 18.42708  ?  145 ILE A O    1 
ATOM   2201 C  CB   . ILE A 1 137 ? -47.90749 -22.28246 -16.66567 1.000 17.17213  ?  145 ILE A CB   1 
ATOM   2202 C  CG1  . ILE A 1 137 ? -47.97105 -23.73733 -16.16573 1.000 18.62546  ?  145 ILE A CG1  1 
ATOM   2203 C  CG2  . ILE A 1 137 ? -46.50892 -21.95458 -17.16877 1.000 17.43370  ?  145 ILE A CG2  1 
ATOM   2204 C  CD1  . ILE A 1 137 ? -48.05532 -24.75685 -17.29643 1.000 18.84122  ?  145 ILE A CD1  1 
ATOM   2205 H  H    A ILE A 1 137 ? -50.16741 -21.94693 -15.87943 0.806 22.49097  ?  145 ILE A H    1 
ATOM   2206 H  H    B ILE A 1 137 ? -50.16245 -21.97389 -15.86128 0.194 22.49097  ?  145 ILE A H    1 
ATOM   2207 H  HA   . ILE A 1 137 ? -47.83156 -21.59812 -14.73530 1.000 20.66523  ?  145 ILE A HA   1 
ATOM   2208 H  HB   . ILE A 1 137 ? -48.52137 -22.16413 -17.40732 1.000 20.62967  ?  145 ILE A HB   1 
ATOM   2209 H  HG12 . ILE A 1 137 ? -47.17134 -23.92786 -15.65088 1.000 22.37367  ?  145 ILE A HG12 1 
ATOM   2210 H  HG13 . ILE A 1 137 ? -48.75771 -23.84393 -15.60832 1.000 22.37367  ?  145 ILE A HG13 1 
ATOM   2211 H  HG21 . ILE A 1 137 ? -46.19366 -22.68496 -17.72379 1.000 20.94355  ?  145 ILE A HG21 1 
ATOM   2212 H  HG22 . ILE A 1 137 ? -46.54389 -21.13592 -17.68786 1.000 20.94355  ?  145 ILE A HG22 1 
ATOM   2213 H  HG23 . ILE A 1 137 ? -45.91865 -21.83877 -16.40780 1.000 20.94355  ?  145 ILE A HG23 1 
ATOM   2214 H  HD11 . ILE A 1 137 ? -48.10191 -25.64773 -16.91555 1.000 22.63259  ?  145 ILE A HD11 1 
ATOM   2215 H  HD12 . ILE A 1 137 ? -48.85086 -24.57999 -17.82248 1.000 22.63259  ?  145 ILE A HD12 1 
ATOM   2216 H  HD13 . ILE A 1 137 ? -47.26553 -24.67630 -17.85379 1.000 22.63259  ?  145 ILE A HD13 1 
ATOM   2217 N  N    . LYS A 1 138 ? -48.81815 -19.18545 -16.55348 1.000 17.37357  ?  146 LYS A N    1 
ATOM   2218 C  CA   . LYS A 1 138 ? -48.61067 -17.75906 -16.79812 1.000 18.13543  ?  146 LYS A CA   1 
ATOM   2219 C  C    . LYS A 1 138 ? -48.65840 -16.95658 -15.49809 1.000 17.25863  ?  146 LYS A C    1 
ATOM   2220 O  O    . LYS A 1 138 ? -47.79406 -16.11507 -15.23907 1.000 19.15254  ?  146 LYS A O    1 
ATOM   2221 C  CB   . LYS A 1 138 ? -49.66891 -17.23648 -17.77695 1.000 17.21739  ?  146 LYS A CB   1 
ATOM   2222 C  CG   . LYS A 1 138 ? -49.62160 -15.70865 -18.05304 1.000 18.20072  ?  146 LYS A CG   1 
ATOM   2223 C  CD   . LYS A 1 138 ? -48.31180 -15.29014 -18.70160 1.000 19.81896  ?  146 LYS A CD   1 
ATOM   2224 C  CE   . LYS A 1 138 ? -48.29486 -13.84339 -19.16416 1.000 22.66899  ?  146 LYS A CE   1 
ATOM   2225 N  NZ   . LYS A 1 138 ? -48.86914 -12.87636 -18.21375 1.000 23.56437  ?  146 LYS A NZ   1 
ATOM   2226 H  H    . LYS A 1 138 ? -49.51758 -19.50985 -16.93449 1.000 20.87141  ?  146 LYS A H    1 
ATOM   2227 H  HA   . LYS A 1 138 ? -47.73385 -17.64152 -17.19594 1.000 21.78563  ?  146 LYS A HA   1 
ATOM   2228 H  HB2  . LYS A 1 138 ? -49.54866 -17.68808 -18.62695 1.000 20.68399  ?  146 LYS A HB2  1 
ATOM   2229 H  HB3  . LYS A 1 138 ? -50.54605 -17.43823 -17.41526 1.000 20.68399  ?  146 LYS A HB3  1 
ATOM   2230 H  HG2  . LYS A 1 138 ? -50.34640 -15.46921 -18.65157 1.000 21.86398  ?  146 LYS A HG2  1 
ATOM   2231 H  HG3  . LYS A 1 138 ? -49.71157 -15.22921 -17.21463 1.000 21.86398  ?  146 LYS A HG3  1 
ATOM   2232 H  HD2  . LYS A 1 138 ? -47.59415 -15.40339 -18.05890 1.000 23.80587  ?  146 LYS A HD2  1 
ATOM   2233 H  HD3  . LYS A 1 138 ? -48.15375 -15.85040 -19.47751 1.000 23.80587  ?  146 LYS A HD3  1 
ATOM   2234 H  HE2  . LYS A 1 138 ? -47.37416 -13.58220 -19.32223 1.000 27.22590  ?  146 LYS A HE2  1 
ATOM   2235 H  HE3  . LYS A 1 138 ? -48.80421 -13.77802 -19.98708 1.000 27.22590  ?  146 LYS A HE3  1 
ATOM   2236 H  HZ1  . LYS A 1 138 ? -48.82600 -12.05443 -18.55238 1.000 28.30036  ?  146 LYS A HZ1  1 
ATOM   2237 H  HZ2  . LYS A 1 138 ? -49.72081 -13.07772 -18.05187 1.000 28.30036  ?  146 LYS A HZ2  1 
ATOM   2238 H  HZ3  . LYS A 1 138 ? -48.41675 -12.89720 -17.44758 1.000 28.30036  ?  146 LYS A HZ3  1 
ATOM   2239 N  N    . GLU A 1 139 ? -49.67386 -17.20612 -14.66986 1.000 17.87497  ?  147 GLU A N    1 
ATOM   2240 C  CA   . GLU A 1 139 ? -49.81677 -16.49477 -13.40646 1.000 19.03264  ?  147 GLU A CA   1 
ATOM   2241 C  C    . GLU A 1 139 ? -48.61282 -16.72833 -12.50016 1.000 17.28694  ?  147 GLU A C    1 
ATOM   2242 O  O    . GLU A 1 139 ? -48.05573 -15.78362 -11.92417 1.000 17.91218  ?  147 GLU A O    1 
ATOM   2243 C  CB   . GLU A 1 139 ? -51.07708 -16.99197 -12.70317 1.000 21.87817  ?  147 GLU A CB   1 
ATOM   2244 C  CG   . GLU A 1 139 ? -51.27961 -16.40948 -11.33879 1.000 26.40504  ?  147 GLU A CG   1 
ATOM   2245 C  CD   . GLU A 1 139 ? -52.67589 -16.69556 -10.80437 1.000 28.18227  ?  147 GLU A CD   1 
ATOM   2246 O  OE1  . GLU A 1 139 ? -53.66962 -16.13008 -11.32510 1.000 30.61130  ?  147 GLU A OE1  1 
ATOM   2247 O  OE2  . GLU A 1 139 ? -52.78414 -17.52626 -9.88008  1.000 29.83618  ?  147 GLU A OE2  1 
ATOM   2248 H  H    . GLU A 1 139 ? -50.29336 -17.78386 -14.81831 1.000 21.47308  ?  147 GLU A H    1 
ATOM   2249 H  HA   . GLU A 1 139 ? -49.88840 -15.54418 -13.58574 1.000 22.86228  ?  147 GLU A HA   1 
ATOM   2250 H  HB2  . GLU A 1 139 ? -51.84809 -16.75644 -13.24259 1.000 26.27693  ?  147 GLU A HB2  1 
ATOM   2251 H  HB3  . GLU A 1 139 ? -51.02078 -17.95563 -12.60782 1.000 26.27693  ?  147 GLU A HB3  1 
ATOM   2252 H  HG2  . GLU A 1 139 ? -50.63445 -16.79672 -10.72665 1.000 31.70917  ?  147 GLU A HG2  1 
ATOM   2253 H  HG3  . GLU A 1 139 ? -51.16123 -15.44765 -11.38080 1.000 31.70917  ?  147 GLU A HG3  1 
ATOM   2254 N  N    . LEU A 1 140 ? -48.20341 -17.98856 -12.34315 1.000 16.98869  ?  148 LEU A N    1 
ATOM   2255 C  CA   . LEU A 1 140 ? -47.06863 -18.27501 -11.47962 1.000 17.90999  ?  148 LEU A CA   1 
ATOM   2256 C  C    . LEU A 1 140 ? -45.78890 -17.68866 -12.05733 1.000 16.85136  ?  148 LEU A C    1 
ATOM   2257 O  O    . LEU A 1 140 ? -44.93213 -17.21389 -11.30524 1.000 17.53790  ?  148 LEU A O    1 
ATOM   2258 C  CB   . LEU A 1 140 ? -46.93668 -19.77721 -11.30354 1.000 18.19492  ?  148 LEU A CB   1 
ATOM   2259 C  CG   . LEU A 1 140 ? -47.98484 -20.43063 -10.40208 1.000 19.12627  ?  148 LEU A CG   1 
ATOM   2260 C  CD1  . LEU A 1 140 ? -47.96768 -21.92533 -10.66820 1.000 20.09470  ?  148 LEU A CD1  1 
ATOM   2261 C  CD2  . LEU A 1 140 ? -47.68398 -20.07868 -8.96229  1.000 20.19458  ?  148 LEU A CD2  1 
ATOM   2262 H  H    . LEU A 1 140 ? -48.55906 -18.67621 -12.71764 1.000 20.40955  ?  148 LEU A H    1 
ATOM   2263 H  HA   . LEU A 1 140 ? -47.21529 -17.87721 -10.60718 1.000 21.51511  ?  148 LEU A HA   1 
ATOM   2264 H  HB2  . LEU A 1 140 ? -47.00697 -20.19310 -12.17704 1.000 21.85703  ?  148 LEU A HB2  1 
ATOM   2265 H  HB3  . LEU A 1 140 ? -46.06669 -19.96279 -10.91679 1.000 21.85703  ?  148 LEU A HB3  1 
ATOM   2266 H  HG   . LEU A 1 140 ? -48.88314 -20.11210 -10.58237 1.000 22.97464  ?  148 LEU A HG   1 
ATOM   2267 H  HD11 . LEU A 1 140 ? -48.72877 -22.33349 -10.22656 1.000 24.13676  ?  148 LEU A HD11 1 
ATOM   2268 H  HD12 . LEU A 1 140 ? -48.02026 -22.07638 -11.62493 1.000 24.13676  ?  148 LEU A HD12 1 
ATOM   2269 H  HD13 . LEU A 1 140 ? -47.14330 -22.29879 -10.31918 1.000 24.13676  ?  148 LEU A HD13 1 
ATOM   2270 H  HD21 . LEU A 1 140 ? -48.25473 -20.60660 -8.38225  1.000 24.25662  ?  148 LEU A HD21 1 
ATOM   2271 H  HD22 . LEU A 1 140 ? -46.75223 -20.27497 -8.77728  1.000 24.25662  ?  148 LEU A HD22 1 
ATOM   2272 H  HD23 . LEU A 1 140 ? -47.85650 -19.13401 -8.82543  1.000 24.25662  ?  148 LEU A HD23 1 
ATOM   2273 N  N    . GLY A 1 141 ? -45.64092 -17.69610 -13.38742 1.000 16.75213  ?  149 GLY A N    1 
ATOM   2274 C  CA   . GLY A 1 141 ? -44.47665 -17.05430 -13.98112 1.000 18.66661  ?  149 GLY A CA   1 
ATOM   2275 C  C    . GLY A 1 141 ? -44.43977 -15.56413 -13.71218 1.000 18.29742  ?  149 GLY A C    1 
ATOM   2276 O  O    . GLY A 1 141 ? -43.37015 -14.99512 -13.45206 1.000 18.10557  ?  149 GLY A O    1 
ATOM   2277 H  H    . GLY A 1 141 ? -46.18583 -18.05591 -13.94708 1.000 20.12567  ?  149 GLY A H    1 
ATOM   2278 H  HA2  . GLY A 1 141 ? -43.67031 -17.45097 -13.61593 1.000 22.42305  ?  149 GLY A HA2  1 
ATOM   2279 H  HA3  . GLY A 1 141 ? -44.48919 -17.19151 -14.94128 1.000 22.42305  ?  149 GLY A HA3  1 
ATOM   2280 N  N    . ASP A 1 142 ? -45.59960 -14.90352 -13.80778 1.000 18.54438  ?  150 ASP A N    1 
ATOM   2281 C  CA   . ASP A 1 142 ? -45.69655 -13.48885 -13.45352 1.000 18.59222  ?  150 ASP A CA   1 
ATOM   2282 C  C    . ASP A 1 142 ? -45.23643 -13.25929 -12.01481 1.000 18.30712  ?  150 ASP A C    1 
ATOM   2283 O  O    . ASP A 1 142 ? -44.47284 -12.32731 -11.71783 1.000 18.11994  ?  150 ASP A O    1 
ATOM   2284 C  CB   . ASP A 1 142 ? -47.16276 -13.04114 -13.52028 1.000 19.16953  ?  150 ASP A CB   1 
ATOM   2285 C  CG   . ASP A 1 142 ? -47.71678 -12.82576 -14.92921 1.000 24.56959  ?  150 ASP A CG   1 
ATOM   2286 O  OD1  . ASP A 1 142 ? -47.03950 -13.04510 -15.94210 1.000 22.17706  ?  150 ASP A OD1  1 
ATOM   2287 O  OD2  . ASP A 1 142 ? -48.92323 -12.46079 -15.01622 1.000 26.66709  ?  150 ASP A OD2  1 
ATOM   2288 H  H    . ASP A 1 142 ? -46.33972 -15.25143 -14.07383 1.000 22.27638  ?  150 ASP A H    1 
ATOM   2289 H  HA   . ASP A 1 142 ? -45.14970 -12.98548 -14.07679 1.000 22.33379  ?  150 ASP A HA   1 
ATOM   2290 H  HB2  . ASP A 1 142 ? -47.70993 -13.71996 -13.09517 1.000 23.02656  ?  150 ASP A HB2  1 
ATOM   2291 H  HB3  . ASP A 1 142 ? -47.24818 -12.20021 -13.04442 1.000 23.02656  ?  150 ASP A HB3  1 
ATOM   2292 N  N    . HIS A 1 143 ? -45.70722 -14.10534 -11.09074 1.000 16.70602  ?  151 HIS A N    1 
ATOM   2293 C  CA   . HIS A 1 143 ? -45.36215 -13.93117 -9.68246  1.000 16.91694  ?  151 HIS A CA   1 
ATOM   2294 C  C    . HIS A 1 143 ? -43.87718 -14.13038 -9.44212  1.000 15.97091  ?  151 HIS A C    1 
ATOM   2295 O  O    . HIS A 1 143 ? -43.25252 -13.34129 -8.72770  1.000 17.33202  ?  151 HIS A O    1 
ATOM   2296 C  CB   . HIS A 1 143 ? -46.15894 -14.91883 -8.83963  1.000 17.08768  ?  151 HIS A CB   1 
ATOM   2297 C  CG   . HIS A 1 143 ? -47.62276 -14.61061 -8.81688  1.000 17.60925  ?  151 HIS A CG   1 
ATOM   2298 N  ND1  . HIS A 1 143 ? -48.58594 -15.45878 -8.29810  1.000 20.27146  ?  151 HIS A ND1  1 
ATOM   2299 C  CD2  . HIS A 1 143 ? -48.28909 -13.53511 -9.29732  1.000 17.22016  ?  151 HIS A CD2  1 
ATOM   2300 C  CE1  . HIS A 1 143 ? -49.77661 -14.89514 -8.43608  1.000 19.00186  ?  151 HIS A CE1  1 
ATOM   2301 N  NE2  . HIS A 1 143 ? -49.62026 -13.73152 -9.04314  1.000 21.07567  ?  151 HIS A NE2  1 
ATOM   2302 H  H    . HIS A 1 143 ? -46.21974 -14.77655 -11.25322 1.000 20.07035  ?  151 HIS A H    1 
ATOM   2303 H  HA   . HIS A 1 143 ? -45.59200 -13.02745 -9.41534  1.000 20.32345  ?  151 HIS A HA   1 
ATOM   2304 H  HB2  . HIS A 1 143 ? -46.04528 -15.80992 -9.20561  1.000 20.52833  ?  151 HIS A HB2  1 
ATOM   2305 H  HB3  . HIS A 1 143 ? -45.83188 -14.89086 -7.92686  1.000 20.52833  ?  151 HIS A HB3  1 
ATOM   2306 H  HD1  . HIS A 1 143 ? -48.43551 -16.22765 -7.94342  1.000 24.34887  ?  151 HIS A HD1  1 
ATOM   2307 H  HD2  . HIS A 1 143 ? -47.91236 -12.79840 -9.72187  1.000 20.68732  ?  151 HIS A HD2  1 
ATOM   2308 H  HE1  . HIS A 1 143 ? -50.58552 -15.25683 -8.15368  1.000 22.82535  ?  151 HIS A HE1  1 
ATOM   2309 N  N    . VAL A 1 144 ? -43.29740 -15.17616 -10.03362 1.000 17.31744  ?  152 VAL A N    1 
ATOM   2310 C  CA   . VAL A 1 144 ? -41.85882 -15.39518 -9.93087  1.000 18.43559  ?  152 VAL A CA   1 
ATOM   2311 C  C    . VAL A 1 144 ? -41.10522 -14.17751 -10.44023 1.000 18.35208  ?  152 VAL A C    1 
ATOM   2312 O  O    . VAL A 1 144 ? -40.16731 -13.68907 -9.79545  1.000 18.73312  ?  152 VAL A O    1 
ATOM   2313 C  CB   . VAL A 1 144 ? -41.46127 -16.65749 -10.71222 1.000 18.90438  ?  152 VAL A CB   1 
ATOM   2314 C  CG1  . VAL A 1 144 ? -39.94985 -16.71733 -10.83418 1.000 19.33457  ?  152 VAL A CG1  1 
ATOM   2315 C  CG2  . VAL A 1 144 ? -41.98549 -17.89093 -10.03144 1.000 17.94315  ?  152 VAL A CG2  1 
ATOM   2316 H  H    . VAL A 1 144 ? -43.71349 -15.76912 -10.49716 1.000 20.80405  ?  152 VAL A H    1 
ATOM   2317 H  HA   . VAL A 1 144 ? -41.62947 -15.52553 -8.99743  1.000 22.14583  ?  152 VAL A HA   1 
ATOM   2318 H  HB   . VAL A 1 144 ? -41.84974 -16.62433 -11.60042 1.000 22.70837  ?  152 VAL A HB   1 
ATOM   2319 H  HG11 . VAL A 1 144 ? -39.68891 -17.61624 -11.08871 1.000 23.22460  ?  152 VAL A HG11 1 
ATOM   2320 H  HG12 . VAL A 1 144 ? -39.66240 -16.08519 -11.51143 1.000 23.22460  ?  152 VAL A HG12 1 
ATOM   2321 H  HG13 . VAL A 1 144 ? -39.55465 -16.48794 -9.97856  1.000 23.22460  ?  152 VAL A HG13 1 
ATOM   2322 H  HG21 . VAL A 1 144 ? -41.72319 -18.67081 -10.54513 1.000 21.55490  ?  152 VAL A HG21 1 
ATOM   2323 H  HG22 . VAL A 1 144 ? -41.61092 -17.94195 -9.13813  1.000 21.55490  ?  152 VAL A HG22 1 
ATOM   2324 H  HG23 . VAL A 1 144 ? -42.95275 -17.83742 -9.98198  1.000 21.55490  ?  152 VAL A HG23 1 
ATOM   2325 N  N    . HIS A 1 145 ? -41.50675 -13.65469 -11.60296 1.000 17.42675  ?  153 HIS A N    1 
ATOM   2326 C  CA   . HIS A 1 145 ? -40.75984 -12.53625 -12.15694 1.000 17.99214  ?  153 HIS A CA   1 
ATOM   2327 C  C    . HIS A 1 145 ? -40.78597 -11.34283 -11.20129 1.000 18.82099  ?  153 HIS A C    1 
ATOM   2328 O  O    . HIS A 1 145 ? -39.75199 -10.71125 -10.93707 1.000 17.64259  ?  153 HIS A O    1 
ATOM   2329 C  CB   . HIS A 1 145 ? -41.35683 -12.05992 -13.47396 1.000 17.40634  ?  153 HIS A CB   1 
ATOM   2330 C  CG   . HIS A 1 145 ? -40.78700 -10.75233 -13.90708 1.000 18.46207  ?  153 HIS A CG   1 
ATOM   2331 N  ND1  . HIS A 1 145 ? -39.47334 -10.60419 -14.30180 1.000 21.93640  ?  153 HIS A ND1  1 
ATOM   2332 C  CD2  . HIS A 1 145 ? -41.29185 -9.49859  -13.79850 1.000 20.07057  ?  153 HIS A CD2  1 
ATOM   2333 C  CE1  . HIS A 1 145 ? -39.22920 -9.32281  -14.52271 1.000 23.24604  ?  153 HIS A CE1  1 
ATOM   2334 N  NE2  . HIS A 1 145 ? -40.31526 -8.63197  -14.21935 1.000 22.32617  ?  153 HIS A NE2  1 
ATOM   2335 H  H    . HIS A 1 145 ? -42.17992 -13.92124 -12.06706 1.000 20.93522  ?  153 HIS A H    1 
ATOM   2336 H  HA   . HIS A 1 145 ? -39.85492 -12.85182 -12.30675 1.000 21.61368  ?  153 HIS A HA   1 
ATOM   2337 H  HB2  . HIS A 1 145 ? -41.16976 -12.71558 -14.16390 1.000 20.91073  ?  153 HIS A HB2  1 
ATOM   2338 H  HB3  . HIS A 1 145 ? -42.31519 -11.95309 -13.36891 1.000 20.91073  ?  153 HIS A HB3  1 
ATOM   2339 H  HD2  . HIS A 1 145 ? -42.14072 -9.26926  -13.49562 1.000 24.10781  ?  153 HIS A HD2  1 
ATOM   2340 H  HE1  . HIS A 1 145 ? -38.42940 -8.96804  -14.83791 1.000 27.91837  ?  153 HIS A HE1  1 
ATOM   2341 H  HE2  . HIS A 1 145 ? -40.39620 -7.77771  -14.27663 1.000 26.81452  ?  153 HIS A HE2  1 
ATOM   2342 N  N    . ASN A 1 146 ? -41.96649 -11.00645 -10.68204 1.000 18.24266  ?  154 ASN A N    1 
ATOM   2343 C  CA   . ASN A 1 146 ? -42.04638 -9.84120  -9.80988  1.000 18.24578  ?  154 ASN A CA   1 
ATOM   2344 C  C    . ASN A 1 146 ? -41.22902 -10.06611 -8.54442  1.000 17.27970  ?  154 ASN A C    1 
ATOM   2345 O  O    . ASN A 1 146 ? -40.51644 -9.17063  -8.09266  1.000 17.51684  ?  154 ASN A O    1 
ATOM   2346 C  CB   . ASN A 1 146 ? -43.49361 -9.48944  -9.46972  1.000 16.89454  ?  154 ASN A CB   1 
ATOM   2347 C  CG   . ASN A 1 146 ? -44.14844 -8.63444  -10.53936 1.000 21.69643  ?  154 ASN A CG   1 
ATOM   2348 O  OD1  . ASN A 1 146 ? -43.87881 -7.44654  -10.63429 1.000 25.74664  ?  154 ASN A OD1  1 
ATOM   2349 N  ND2  . ASN A 1 146 ? -45.03539 -9.22434  -11.31080 1.000 24.57627  ?  154 ASN A ND2  1 
ATOM   2350 H  H    . ASN A 1 146 ? -42.70783 -11.42162 -10.81487 1.000 21.91431  ?  154 ASN A H    1 
ATOM   2351 H  HA   . ASN A 1 146 ? -41.68429 -9.07766  -10.28611 1.000 21.91806  ?  154 ASN A HA   1 
ATOM   2352 H  HB2  . ASN A 1 146 ? -44.00692 -10.30780 -9.38200  1.000 20.29657  ?  154 ASN A HB2  1 
ATOM   2353 H  HB3  . ASN A 1 146 ? -43.51236 -8.99501  -8.63541  1.000 20.29657  ?  154 ASN A HB3  1 
ATOM   2354 H  HD21 . ASN A 1 146 ? -45.21949 -10.05651 -11.19590 1.000 29.51465  ?  154 ASN A HD21 1 
ATOM   2355 H  HD22 . ASN A 1 146 ? -45.43126 -8.77790  -11.93014 1.000 29.51465  ?  154 ASN A HD22 1 
ATOM   2356 N  N    . LEU A 1 147 ? -41.29720 -11.26635 -7.96908  1.000 16.01278  ?  155 LEU A N    1 
ATOM   2357 C  CA   . LEU A 1 147 ? -40.54593 -11.52223 -6.74109  1.000 17.54974  ?  155 LEU A CA   1 
ATOM   2358 C  C    . LEU A 1 147 ? -39.04717 -11.43967 -6.99630  1.000 16.78604  ?  155 LEU A C    1 
ATOM   2359 O  O    . LEU A 1 147 ? -38.30996 -10.85781 -6.19647  1.000 16.40698  ?  155 LEU A O    1 
ATOM   2360 C  CB   . LEU A 1 147 ? -40.92489 -12.88446 -6.15260  1.000 15.91921  ?  155 LEU A CB   1 
ATOM   2361 C  CG   . LEU A 1 147 ? -42.26048 -12.90950 -5.41568  1.000 17.76381  ?  155 LEU A CG   1 
ATOM   2362 C  CD1  . LEU A 1 147 ? -42.76643 -14.31762 -5.16574  1.000 17.95011  ?  155 LEU A CD1  1 
ATOM   2363 C  CD2  . LEU A 1 147 ? -42.15071 -12.14599 -4.10841  1.000 16.66373  ?  155 LEU A CD2  1 
ATOM   2364 H  H    . LEU A 1 147 ? -41.75784 -11.93150 -8.26059  1.000 19.23846  ?  155 LEU A H    1 
ATOM   2365 H  HA   . LEU A 1 147 ? -40.78043 -10.84820 -6.08414  1.000 21.08281  ?  155 LEU A HA   1 
ATOM   2366 H  HB2  . LEU A 1 147 ? -40.97726 -13.52843 -6.87609  1.000 19.12618  ?  155 LEU A HB2  1 
ATOM   2367 H  HB3  . LEU A 1 147 ? -40.23717 -13.14928 -5.52187  1.000 19.12618  ?  155 LEU A HB3  1 
ATOM   2368 H  HG   . LEU A 1 147 ? -42.91813 -12.47826 -5.98350  1.000 21.33970  ?  155 LEU A HG   1 
ATOM   2369 H  HD11 . LEU A 1 147 ? -43.64907 -14.26980 -4.76631  1.000 21.56325  ?  155 LEU A HD11 1 
ATOM   2370 H  HD12 . LEU A 1 147 ? -42.81101 -14.79181 -6.01076  1.000 21.56325  ?  155 LEU A HD12 1 
ATOM   2371 H  HD13 . LEU A 1 147 ? -42.15517 -14.77067 -4.56406  1.000 21.56325  ?  155 LEU A HD13 1 
ATOM   2372 H  HD21 . LEU A 1 147 ? -42.97614 -12.25252 -3.61019  1.000 20.01959  ?  155 LEU A HD21 1 
ATOM   2373 H  HD22 . LEU A 1 147 ? -41.40724 -12.50131 -3.59663  1.000 20.01959  ?  155 LEU A HD22 1 
ATOM   2374 H  HD23 . LEU A 1 147 ? -42.00022 -11.20758 -4.30244  1.000 20.01959  ?  155 LEU A HD23 1 
ATOM   2375 N  N    . VAL A 1 148 ? -38.58383 -11.96329 -8.13598  1.000 18.27394  ?  156 VAL A N    1 
ATOM   2376 C  CA   . VAL A 1 148 ? -37.15801 -11.86472 -8.46808  1.000 18.95538  ?  156 VAL A CA   1 
ATOM   2377 C  C    . VAL A 1 148 ? -36.74869 -10.40491 -8.62458  1.000 19.09611  ?  156 VAL A C    1 
ATOM   2378 O  O    . VAL A 1 148 ? -35.75227 -9.95517  -8.04362  1.000 19.74699  ?  156 VAL A O    1 
ATOM   2379 C  CB   . VAL A 1 148 ? -36.81053 -12.68403 -9.72591  1.000 20.30874  ?  156 VAL A CB   1 
ATOM   2380 C  CG1  . VAL A 1 148 ? -35.39275 -12.34829 -10.18141 1.000 21.11007  ?  156 VAL A CG1  1 
ATOM   2381 C  CG2  . VAL A 1 148 ? -36.95376 -14.18153 -9.44189  1.000 20.52933  ?  156 VAL A CG2  1 
ATOM   2382 H  H    . VAL A 1 148 ? -39.06286 -12.37196 -8.72173  1.000 21.95184  ?  156 VAL A H    1 
ATOM   2383 H  HA   . VAL A 1 148 ? -36.65789 -12.24554 -7.72933  1.000 22.76958  ?  156 VAL A HA   1 
ATOM   2384 H  HB   . VAL A 1 148 ? -37.42480 -12.45891 -10.44209 1.000 24.39361  ?  156 VAL A HB   1 
ATOM   2385 H  HG11 . VAL A 1 148 ? -35.15842 -12.91824 -10.93051 1.000 25.35520  ?  156 VAL A HG11 1 
ATOM   2386 H  HG12 . VAL A 1 148 ? -35.35991 -11.41716 -10.45127 1.000 25.35520  ?  156 VAL A HG12 1 
ATOM   2387 H  HG13 . VAL A 1 148 ? -34.78000 -12.50110 -9.44514  1.000 25.35520  ?  156 VAL A HG13 1 
ATOM   2388 H  HG21 . VAL A 1 148 ? -36.78052 -14.67580 -10.25834 1.000 24.65831  ?  156 VAL A HG21 1 
ATOM   2389 H  HG22 . VAL A 1 148 ? -36.31365 -14.43607 -8.75898  1.000 24.65831  ?  156 VAL A HG22 1 
ATOM   2390 H  HG23 . VAL A 1 148 ? -37.85575 -14.35944 -9.13258  1.000 24.65831  ?  156 VAL A HG23 1 
ATOM   2391 N  N    . LYS A 1 149 ? -37.52941 -9.63787  -9.38685  1.000 20.15670  ?  157 LYS A N    1 
ATOM   2392 C  CA   . LYS A 1 149 ? -37.16415 -8.25179  -9.64164  1.000 20.03048  ?  157 LYS A CA   1 
ATOM   2393 C  C    . LYS A 1 149 ? -37.14423 -7.44567  -8.35016  1.000 18.14063  ?  157 LYS A C    1 
ATOM   2394 O  O    . LYS A 1 149 ? -36.30394 -6.55466  -8.17042  1.000 20.92352  ?  157 LYS A O    1 
ATOM   2395 C  CB   . LYS A 1 149 ? -38.13062 -7.61381  -10.64580 1.000 23.63034  ?  157 LYS A CB   1 
ATOM   2396 C  CG   . LYS A 1 149 ? -37.98040 -6.08852  -10.77835 1.000 29.39702  ?  157 LYS A CG   1 
ATOM   2397 C  CD   . LYS A 1 149 ? -36.79169 -5.68848  -11.63873 1.000 33.66287  ?  157 LYS A CD   1 
ATOM   2398 C  CE   . LYS A 1 149 ? -36.84874 -4.20505  -12.13324 1.000 35.27530  ?  157 LYS A CE   1 
ATOM   2399 N  NZ   . LYS A 1 149 ? -38.19939 -3.51015  -12.05458 1.000 42.34931  ?  157 LYS A NZ   1 
ATOM   2400 H  H    . LYS A 1 149 ? -38.26103 -9.89326  -9.75982  1.000 24.21116  ?  157 LYS A H    1 
ATOM   2401 H  HA   . LYS A 1 149 ? -36.27614 -8.23655  -10.03164 1.000 24.05969  ?  157 LYS A HA   1 
ATOM   2402 H  HB2  . LYS A 1 149 ? -37.97177 -8.00284  -11.52005 1.000 28.37952  ?  157 LYS A HB2  1 
ATOM   2403 H  HB3  . LYS A 1 149 ? -39.03972 -7.79697  -10.36138 1.000 28.37952  ?  157 LYS A HB3  1 
ATOM   2404 H  HG2  . LYS A 1 149 ? -38.78183 -5.72565  -11.18694 1.000 35.29955  ?  157 LYS A HG2  1 
ATOM   2405 H  HG3  . LYS A 1 149 ? -37.85476 -5.70479  -9.89638  1.000 35.29955  ?  157 LYS A HG3  1 
ATOM   2406 H  HD2  . LYS A 1 149 ? -35.97901 -5.79677  -11.12034 1.000 40.41857  ?  157 LYS A HD2  1 
ATOM   2407 H  HD3  . LYS A 1 149 ? -36.76462 -6.26073  -12.42148 1.000 40.41857  ?  157 LYS A HD3  1 
ATOM   2408 H  HE2  . LYS A 1 149 ? -36.23124 -3.68460  -11.59590 1.000 42.35348  ?  157 LYS A HE2  1 
ATOM   2409 H  HE3  . LYS A 1 149 ? -36.57528 -4.18714  -13.06373 1.000 42.35348  ?  157 LYS A HE3  1 
ATOM   2410 H  HZ1  . LYS A 1 149 ? -38.13542 -2.68306  -12.37695 1.000 50.84229  ?  157 LYS A HZ1  1 
ATOM   2411 H  HZ2  . LYS A 1 149 ? -38.80144 -3.96014  -12.53117 1.000 50.84229  ?  157 LYS A HZ2  1 
ATOM   2412 H  HZ3  . LYS A 1 149 ? -38.47225 -3.47003  -11.20839 1.000 50.84229  ?  157 LYS A HZ3  1 
ATOM   2413 N  N    . MET A 1 150 ? -38.07046 -7.74069  -7.44136  1.000 18.49601  ?  158 MET A N    1 
ATOM   2414 C  CA   . MET A 1 150 ? -38.22789 -6.97275  -6.20741  1.000 21.00923  ?  158 MET A CA   1 
ATOM   2415 C  C    . MET A 1 150 ? -37.10042 -7.28712  -5.23897  1.000 20.33943  ?  158 MET A C    1 
ATOM   2416 O  O    . MET A 1 150 ? -36.93177 -6.53552  -4.27112  1.000 21.62186  ?  158 MET A O    1 
ATOM   2417 C  CB   . MET A 1 150 ? -39.56310 -7.45218  -5.64837  1.000 19.77947  ?  158 MET A CB   1 
ATOM   2418 C  CG   . MET A 1 150 ? -40.76199 -6.72772  -6.27661  1.000 19.12568  ?  158 MET A CG   1 
ATOM   2419 S  SD   . MET A 1 150 ? -42.32407 -7.49065  -5.69573  1.000 22.12548  ?  158 MET A SD   1 
ATOM   2420 C  CE   . MET A 1 150 ? -42.50888 -6.58728  -4.13949  1.000 22.35619  ?  158 MET A CE   1 
ATOM   2421 H  H    . MET A 1 150 ? -38.62913 -8.39030  -7.51556  1.000 22.21833  ?  158 MET A H    1 
ATOM   2422 H  HA   . MET A 1 150 ? -38.23802 -6.01189  -6.33989  1.000 25.23419  ?  158 MET A HA   1 
ATOM   2423 H  HB2  . MET A 1 150 ? -39.65791 -8.40095  -5.82656  1.000 23.75848  ?  158 MET A HB2  1 
ATOM   2424 H  HB3  . MET A 1 150 ? -39.58154 -7.29076  -4.69207  1.000 23.75848  ?  158 MET A HB3  1 
ATOM   2425 H  HG2  . MET A 1 150 ? -40.75416 -5.79390  -6.01426  1.000 22.97393  ?  158 MET A HG2  1 
ATOM   2426 H  HG3  . MET A 1 150 ? -40.71906 -6.80122  -7.24287  1.000 22.97393  ?  158 MET A HG3  1 
ATOM   2427 H  HE1  . MET A 1 150 ? -43.32777 -6.87195  -3.70442  1.000 26.85054  ?  158 MET A HE1  1 
ATOM   2428 H  HE2  . MET A 1 150 ? -41.74757 -6.78001  -3.57014  1.000 26.85054  ?  158 MET A HE2  1 
ATOM   2429 H  HE3  . MET A 1 150 ? -42.54809 -5.63675  -4.32884  1.000 26.85054  ?  158 MET A HE3  1 
ATOM   2430 N  N    . GLY A 1 151 ? -36.34255 -8.35827  -5.47887  1.000 19.27910  ?  159 GLY A N    1 
ATOM   2431 C  CA   . GLY A 1 151 ? -35.21519 -8.72220  -4.65269  1.000 22.25930  ?  159 GLY A CA   1 
ATOM   2432 C  C    . GLY A 1 151 ? -35.41843 -9.88452  -3.71332  1.000 22.76751  ?  159 GLY A C    1 
ATOM   2433 O  O    . GLY A 1 151 ? -34.54897 -10.12666 -2.85234  1.000 21.81143  ?  159 GLY A O    1 
ATOM   2434 H  H    . GLY A 1 151 ? -36.47259 -8.89899  -6.13486  1.000 23.15804  ?  159 GLY A H    1 
ATOM   2435 H  HA2  . GLY A 1 151 ? -34.47199 -8.94695  -5.23411  1.000 26.73428  ?  159 GLY A HA2  1 
ATOM   2436 H  HA3  . GLY A 1 151 ? -34.97277 -7.95343  -4.11313  1.000 26.73428  ?  159 GLY A HA3  1 
ATOM   2437 N  N    . ALA A 1 152 ? -36.52264 -10.61038 -3.84649  1.000 19.64739  ?  160 ALA A N    1 
ATOM   2438 C  CA   . ALA A 1 152 ? -36.78378 -11.73709 -2.96902  1.000 19.81035  ?  160 ALA A CA   1 
ATOM   2439 C  C    . ALA A 1 152 ? -35.72294 -12.81774 -3.16341  1.000 22.09547  ?  160 ALA A C    1 
ATOM   2440 O  O    . ALA A 1 152 ? -35.18969 -12.98879 -4.26838  1.000 24.29752  ?  160 ALA A O    1 
ATOM   2441 C  CB   . ALA A 1 152 ? -38.15258 -12.32930 -3.28568  1.000 19.22879  ?  160 ALA A CB   1 
ATOM   2442 H  H    . ALA A 1 152 ? -37.13325 -10.47015 -4.43563  1.000 23.59998  ?  160 ALA A H    1 
ATOM   2443 H  HA   . ALA A 1 152 ? -36.76265 -11.43997 -2.04589  1.000 23.79554  ?  160 ALA A HA   1 
ATOM   2444 H  HB1  . ALA A 1 152 ? -38.31332 -13.08467 -2.69875  1.000 23.09766  ?  160 ALA A HB1  1 
ATOM   2445 H  HB2  . ALA A 1 152 ? -38.83079 -11.65036 -3.14429  1.000 23.09766  ?  160 ALA A HB2  1 
ATOM   2446 H  HB3  . ALA A 1 152 ? -38.16420 -12.62085 -4.21075  1.000 23.09766  ?  160 ALA A HB3  1 
ATOM   2447 N  N    . PRO A 1 153 ? -35.40910 -13.59057 -2.10481  1.000 24.08768  ?  161 PRO A N    1 
ATOM   2448 C  CA   . PRO A 1 153 ? -35.93379 -13.52330 -0.72963  1.000 27.13953  ?  161 PRO A CA   1 
ATOM   2449 C  C    . PRO A 1 153 ? -35.10673 -12.64634 0.20533   1.000 30.31010  ?  161 PRO A C    1 
ATOM   2450 O  O    . PRO A 1 153 ? -35.50924 -12.39574 1.34682   1.000 31.42613  ?  161 PRO A O    1 
ATOM   2451 C  CB   . PRO A 1 153 ? -35.85703 -14.99730 -0.27454  1.000 27.33986  ?  161 PRO A CB   1 
ATOM   2452 C  CG   . PRO A 1 153 ? -34.63070 -15.51600 -0.98125  1.000 25.93415  ?  161 PRO A CG   1 
ATOM   2453 C  CD   . PRO A 1 153 ? -34.50323 -14.73887 -2.28328  1.000 24.75488  ?  161 PRO A CD   1 
ATOM   2454 H  HA   . PRO A 1 153 ? -36.84822 -13.20086 -0.75705  1.000 32.59056  ?  161 PRO A HA   1 
ATOM   2455 H  HB2  . PRO A 1 153 ? -35.75726 -15.04743 0.68901   1.000 32.83095  ?  161 PRO A HB2  1 
ATOM   2456 H  HB3  . PRO A 1 153 ? -36.65353 -15.47695 -0.55100  1.000 32.83095  ?  161 PRO A HB3  1 
ATOM   2457 H  HG2  . PRO A 1 153 ? -33.85145 -15.37120 -0.42205  1.000 31.14410  ?  161 PRO A HG2  1 
ATOM   2458 H  HG3  . PRO A 1 153 ? -34.73894 -16.46310 -1.16065  1.000 31.14410  ?  161 PRO A HG3  1 
ATOM   2459 H  HD2  . PRO A 1 153 ? -33.59051 -14.43774 -2.41425  1.000 29.72898  ?  161 PRO A HD2  1 
ATOM   2460 H  HD3  . PRO A 1 153 ? -34.78427 -15.28290 -3.03557  1.000 29.72898  ?  161 PRO A HD3  1 
ATOM   2461 N  N    . ASP A 1 154 ? -33.96574 -12.13885 -0.27772  1.000 30.14566  ?  162 ASP A N    1 
ATOM   2462 C  CA   . ASP A 1 154 ? -32.98290 -11.48659 0.57859   1.000 32.87214  ?  162 ASP A CA   1 
ATOM   2463 C  C    . ASP A 1 154 ? -33.36030 -10.05012 0.90460   1.000 29.43174  ?  162 ASP A C    1 
ATOM   2464 O  O    . ASP A 1 154 ? -32.99602 -9.55052  1.97509   1.000 29.96001  ?  162 ASP A O    1 
ATOM   2465 C  CB   . ASP A 1 154 ? -31.62467 -11.48241 -0.13311  1.000 37.26087  ?  162 ASP A CB   1 
ATOM   2466 C  CG   . ASP A 1 154 ? -31.14511 -12.87780 -0.49041  1.000 44.04511  ?  162 ASP A CG   1 
ATOM   2467 O  OD1  . ASP A 1 154 ? -30.49637 -13.51956 0.36012   1.000 47.33712  ?  162 ASP A OD1  1 
ATOM   2468 O  OD2  . ASP A 1 154 ? -31.42934 -13.33525 -1.62420  1.000 46.95798  ?  162 ASP A OD2  1 
ATOM   2469 H  H    . ASP A 1 154 ? -33.73888 -12.16190 -1.10693  1.000 36.19791  ?  162 ASP A H    1 
ATOM   2470 H  HA   . ASP A 1 154 ? -32.91916 -11.98213 1.41003   1.000 39.46968  ?  162 ASP A HA   1 
ATOM   2471 H  HB2  . ASP A 1 154 ? -31.69957 -10.97149 -0.95424  1.000 44.73617  ?  162 ASP A HB2  1 
ATOM   2472 H  HB3  . ASP A 1 154 ? -30.96339 -11.07806 0.45007   1.000 44.73617  ?  162 ASP A HB3  1 
ATOM   2473 N  N    . ALA A 1 155 ? -34.03366 -9.35753  -0.00974  1.000 24.26045  ?  163 ALA A N    1 
ATOM   2474 C  CA   . ALA A 1 155 ? -34.48322 -8.00272  0.25764   1.000 26.16918  ?  163 ALA A CA   1 
ATOM   2475 C  C    . ALA A 1 155 ? -35.67339 -8.10406  1.18966   1.000 27.88064  ?  163 ALA A C    1 
ATOM   2476 O  O    . ALA A 1 155 ? -36.70027 -8.66841  0.81912   1.000 30.56809  ?  163 ALA A O    1 
ATOM   2477 C  CB   . ALA A 1 155 ? -34.91536 -7.30858  -1.02912  1.000 25.03392  ?  163 ALA A CB   1 
ATOM   2478 H  H    . ALA A 1 155 ? -34.24093 -9.65213  -0.79067  1.000 29.13566  ?  163 ALA A H    1 
ATOM   2479 H  HA   . ALA A 1 155 ? -33.76487 -7.48294  0.65095   1.000 31.42614  ?  163 ALA A HA   1 
ATOM   2480 H  HB1  . ALA A 1 155 ? -35.14918 -6.38879  -0.82858  1.000 30.06383  ?  163 ALA A HB1  1 
ATOM   2481 H  HB2  . ALA A 1 155 ? -34.18134 -7.33266  -1.66279  1.000 30.06383  ?  163 ALA A HB2  1 
ATOM   2482 H  HB3  . ALA A 1 155 ? -35.68410 -7.77293  -1.39562  1.000 30.06383  ?  163 ALA A HB3  1 
ATOM   2483 N  N    . GLY A 1 156 ? -35.55082 -7.54135  2.38390   1.000 27.52370  ?  164 GLY A N    1 
ATOM   2484 C  CA   . GLY A 1 156 ? -36.50152 -7.80707  3.43322   1.000 25.66446  ?  164 GLY A CA   1 
ATOM   2485 C  C    . GLY A 1 156 ? -37.89696 -7.30482  3.17941   1.000 25.00563  ?  164 GLY A C    1 
ATOM   2486 O  O    . GLY A 1 156 ? -38.81983 -7.80160  3.81929   1.000 25.04690  ?  164 GLY A O    1 
ATOM   2487 H  H    . GLY A 1 156 ? -34.92067 -7.00020  2.60676   1.000 33.05156  ?  164 GLY A H    1 
ATOM   2488 H  HA2  . GLY A 1 156 ? -36.55454 -8.76639  3.56659   1.000 30.82047  ?  164 GLY A HA2  1 
ATOM   2489 H  HA3  . GLY A 1 156 ? -36.18411 -7.39170  4.25031   1.000 30.82047  ?  164 GLY A HA3  1 
ATOM   2490 N  N    . LEU A 1 157 ? -38.07648 -6.33255  2.29238   1.000 21.39374  ?  165 LEU A N    1 
ATOM   2491 C  CA   . LEU A 1 157 ? -39.41516 -5.83206  2.04159   1.000 20.36047  ?  165 LEU A CA   1 
ATOM   2492 C  C    . LEU A 1 157 ? -40.13282 -6.55624  0.91351   1.000 19.72095  ?  165 LEU A C    1 
ATOM   2493 O  O    . LEU A 1 157 ? -41.35316 -6.42070  0.79132   1.000 20.52945  ?  165 LEU A O    1 
ATOM   2494 C  CB   . LEU A 1 157 ? -39.40214 -4.34985  1.66370   1.000 20.55477  ?  165 LEU A CB   1 
ATOM   2495 C  CG   . LEU A 1 157 ? -38.87685 -3.40477  2.73904   1.000 21.11741  ?  165 LEU A CG   1 
ATOM   2496 C  CD1  . LEU A 1 157 ? -38.81591 -1.96670  2.22394   1.000 20.48862  ?  165 LEU A CD1  1 
ATOM   2497 C  CD2  . LEU A 1 157 ? -39.73961 -3.48940  3.98071   1.000 23.15840  ?  165 LEU A CD2  1 
ATOM   2498 H  H    . LEU A 1 157 ? -37.45200 -5.95728  1.83544   1.000 25.69561  ?  165 LEU A H    1 
ATOM   2499 H  HA   . LEU A 1 157 ? -39.90707 -5.94272  2.87024   1.000 24.45568  ?  165 LEU A HA   1 
ATOM   2500 H  HB2  . LEU A 1 157 ? -38.83940 -4.23983  0.88132   1.000 24.68885  ?  165 LEU A HB2  1 
ATOM   2501 H  HB3  . LEU A 1 157 ? -40.31101 -4.07954  1.45931   1.000 24.68885  ?  165 LEU A HB3  1 
ATOM   2502 H  HG   . LEU A 1 157 ? -37.97434 -3.67079  2.97485   1.000 25.36402  ?  165 LEU A HG   1 
ATOM   2503 H  HD11 . LEU A 1 157 ? -38.45567 -1.39653  2.92110   1.000 24.60946  ?  165 LEU A HD11 1 
ATOM   2504 H  HD12 . LEU A 1 157 ? -38.24282 -1.93537  1.44196   1.000 24.60946  ?  165 LEU A HD12 1 
ATOM   2505 H  HD13 . LEU A 1 157 ? -39.71147 -1.67699  1.98953   1.000 24.60946  ?  165 LEU A HD13 1 
ATOM   2506 H  HD21 . LEU A 1 157 ? -39.52643 -2.74483  4.56473   1.000 27.81320  ?  165 LEU A HD21 1 
ATOM   2507 H  HD22 . LEU A 1 157 ? -40.67304 -3.44863  3.72006   1.000 27.81320  ?  165 LEU A HD22 1 
ATOM   2508 H  HD23 . LEU A 1 157 ? -39.55911 -4.32768  4.43415   1.000 27.81320  ?  165 LEU A HD23 1 
ATOM   2509 N  N    . ALA A 1 158 ? -39.41905 -7.30753  0.07433   1.000 18.60636  ?  166 ALA A N    1 
ATOM   2510 C  CA   . ALA A 1 158 ? -40.00638 -7.79331  -1.17605  1.000 17.66317  ?  166 ALA A CA   1 
ATOM   2511 C  C    . ALA A 1 158 ? -41.17266 -8.75463  -0.94303  1.000 19.27193  ?  166 ALA A C    1 
ATOM   2512 O  O    . ALA A 1 158 ? -42.26756 -8.55880  -1.48146  1.000 18.84399  ?  166 ALA A O    1 
ATOM   2513 C  CB   . ALA A 1 158 ? -38.92068 -8.44082  -2.05370  1.000 19.80027  ?  166 ALA A CB   1 
ATOM   2514 H  H    . ALA A 1 158 ? -38.60329 -7.54766  0.20265   1.000 22.35075  ?  166 ALA A H    1 
ATOM   2515 H  HA   . ALA A 1 158 ? -40.36552 -7.02738  -1.65068  1.000 21.21892  ?  166 ALA A HA   1 
ATOM   2516 H  HB1  . ALA A 1 158 ? -39.31881 -8.72237  -2.89222  1.000 23.78344  ?  166 ALA A HB1  1 
ATOM   2517 H  HB2  . ALA A 1 158 ? -38.22094 -7.79041  -2.22168  1.000 23.78344  ?  166 ALA A HB2  1 
ATOM   2518 H  HB3  . ALA A 1 158 ? -38.55392 -9.20831  -1.58750  1.000 23.78344  ?  166 ALA A HB3  1 
ATOM   2519 N  N    . GLU A 1 159 ? -40.94351 -9.84582  -0.21315  1.000 18.67871  ?  167 GLU A N    1 
ATOM   2520 C  CA   . GLU A 1 159 ? -42.00901 -10.82992 -0.03474  1.000 17.62635  ?  167 GLU A CA   1 
ATOM   2521 C  C    . GLU A 1 159 ? -43.16997 -10.22852 0.75793   1.000 16.46801  ?  167 GLU A C    1 
ATOM   2522 O  O    . GLU A 1 159 ? -44.34276 -10.46407 0.42954   1.000 17.08703  ?  167 GLU A O    1 
ATOM   2523 C  CB   . GLU A 1 159 ? -41.43916 -12.08518 0.63094   1.000 19.40920  ?  167 GLU A CB   1 
ATOM   2524 C  CG   . GLU A 1 159 ? -40.59114 -12.85795 -0.36551  1.000 22.11441  ?  167 GLU A CG   1 
ATOM   2525 C  CD   . GLU A 1 159 ? -40.08994 -14.22056 0.04413   1.000 25.18094  ?  167 GLU A CD   1 
ATOM   2526 O  OE1  . GLU A 1 159 ? -40.24317 -14.66310 1.20590   1.000 27.46135  ?  167 GLU A OE1  1 
ATOM   2527 O  OE2  . GLU A 1 159 ? -39.46446 -14.85798 -0.84291  1.000 25.76902  ?  167 GLU A OE2  1 
ATOM   2528 H  H    . GLU A 1 159 ? -40.20157 -10.03517 0.17835   1.000 22.43757  ?  167 GLU A H    1 
ATOM   2529 H  HA   . GLU A 1 159 ? -42.36251 -11.10178 -0.89615  1.000 21.17474  ?  167 GLU A HA   1 
ATOM   2530 H  HB2  . GLU A 1 159 ? -40.88315 -11.83179 1.38429   1.000 23.31416  ?  167 GLU A HB2  1 
ATOM   2531 H  HB3  . GLU A 1 159 ? -42.16519 -12.65417 0.93100   1.000 23.31416  ?  167 GLU A HB3  1 
ATOM   2532 H  HG2  . GLU A 1 159 ? -41.12014 -12.98604 -1.16842  1.000 26.56042  ?  167 GLU A HG2  1 
ATOM   2533 H  HG3  . GLU A 1 159 ? -39.80778 -12.32230 -0.56629  1.000 26.56042  ?  167 GLU A HG3  1 
ATOM   2534 N  N    . TYR A 1 160 ? -42.86027 -9.41123  1.76993   1.000 17.44561  ?  168 TYR A N    1 
ATOM   2535 C  CA   . TYR A 1 160 ? -43.90237 -8.74328  2.54102   1.000 17.46839  ?  168 TYR A CA   1 
ATOM   2536 C  C    . TYR A 1 160 ? -44.78718 -7.87585  1.64564   1.000 17.29679  ?  168 TYR A C    1 
ATOM   2537 O  O    . TYR A 1 160 ? -46.02204 -7.92175  1.73784   1.000 17.38866  ?  168 TYR A O    1 
ATOM   2538 C  CB   . TYR A 1 160 ? -43.26368 -7.87968  3.63154   1.000 18.01336  ?  168 TYR A CB   1 
ATOM   2539 C  CG   . TYR A 1 160 ? -44.27947 -7.13326  4.46850   1.000 18.22866  ?  168 TYR A CG   1 
ATOM   2540 C  CD1  . TYR A 1 160 ? -44.86410 -7.73478  5.57019   1.000 18.46145  ?  168 TYR A CD1  1 
ATOM   2541 C  CD2  . TYR A 1 160 ? -44.67443 -5.83393  4.14548   1.000 17.66512  ?  168 TYR A CD2  1 
ATOM   2542 C  CE1  . TYR A 1 160 ? -45.80275 -7.07235  6.32790   1.000 20.58390  ?  168 TYR A CE1  1 
ATOM   2543 C  CE2  . TYR A 1 160 ? -45.60432 -5.16963  4.90851   1.000 18.24494  ?  168 TYR A CE2  1 
ATOM   2544 C  CZ   . TYR A 1 160 ? -46.17334 -5.79902  5.98650   1.000 20.00589  ?  168 TYR A CZ   1 
ATOM   2545 O  OH   . TYR A 1 160 ? -47.09917 -5.13179  6.75316   1.000 20.36116  ?  168 TYR A OH   1 
ATOM   2546 H  H    . TYR A 1 160 ? -42.05944 -9.23013  2.02581   1.000 20.95785  ?  168 TYR A H    1 
ATOM   2547 H  HA   . TYR A 1 160 ? -44.45860 -9.41946  2.95849   1.000 20.98519  ?  168 TYR A HA   1 
ATOM   2548 H  HB2  . TYR A 1 160 ? -42.74982 -8.45055  4.22396   1.000 21.63915  ?  168 TYR A HB2  1 
ATOM   2549 H  HB3  . TYR A 1 160 ? -42.68180 -7.22549  3.21399   1.000 21.63915  ?  168 TYR A HB3  1 
ATOM   2550 H  HD1  . TYR A 1 160 ? -44.61826 -8.60121  5.80206   1.000 22.17686  ?  168 TYR A HD1  1 
ATOM   2551 H  HD2  . TYR A 1 160 ? -44.30338 -5.41237  3.40419   1.000 21.22127  ?  168 TYR A HD2  1 
ATOM   2552 H  HE1  . TYR A 1 160 ? -46.18344 -7.48734  7.06801   1.000 24.72380  ?  168 TYR A HE1  1 
ATOM   2553 H  HE2  . TYR A 1 160 ? -45.84676 -4.29750  4.69516   1.000 21.91705  ?  168 TYR A HE2  1 
ATOM   2554 H  HH   . TYR A 1 160 ? -47.05247 -4.30607  6.60613   1.000 24.45651  ?  168 TYR A HH   1 
ATOM   2555 N  N    . LEU A 1 161 ? -44.17243 -7.06558  0.77630   1.000 17.37840  ?  169 LEU A N    1 
ATOM   2556 C  CA   . LEU A 1 161 ? -44.95365 -6.17982  -0.08097  1.000 18.35606  ?  169 LEU A CA   1 
ATOM   2557 C  C    . LEU A 1 161 ? -45.72882 -6.94475  -1.14347  1.000 16.61015  ?  169 LEU A C    1 
ATOM   2558 O  O    . LEU A 1 161 ? -46.84129 -6.55290  -1.48666  1.000 16.76402  ?  169 LEU A O    1 
ATOM   2559 C  CB   . LEU A 1 161 ? -44.04316 -5.12966  -0.71216  1.000 18.25329  ?  169 LEU A CB   1 
ATOM   2560 C  CG   . LEU A 1 161 ? -43.58568 -4.05618  0.26967   1.000 20.49930  ?  169 LEU A CG   1 
ATOM   2561 C  CD1  . LEU A 1 161 ? -42.53239 -3.20772  -0.41034  1.000 20.50701  ?  169 LEU A CD1  1 
ATOM   2562 C  CD2  . LEU A 1 161 ? -44.74483 -3.20013  0.72851   1.000 21.35352  ?  169 LEU A CD2  1 
ATOM   2563 H  H    . LEU A 1 161 ? -43.32094 -7.01285  0.66774   1.000 20.87720  ?  169 LEU A H    1 
ATOM   2564 H  HA   . LEU A 1 161 ? -45.60717 -5.71949  0.46850   1.000 22.05039  ?  169 LEU A HA   1 
ATOM   2565 H  HB2  . LEU A 1 161 ? -43.25299 -5.57049  -1.06176  1.000 21.92707  ?  169 LEU A HB2  1 
ATOM   2566 H  HB3  . LEU A 1 161 ? -44.52382 -4.69083  -1.43139  1.000 21.92707  ?  169 LEU A HB3  1 
ATOM   2567 H  HG   . LEU A 1 161 ? -43.21296 -4.47047  1.06361   1.000 24.62228  ?  169 LEU A HG   1 
ATOM   2568 H  HD11 . LEU A 1 161 ? -42.25867 -2.49989  0.19377   1.000 24.63153  ?  169 LEU A HD11 1 
ATOM   2569 H  HD12 . LEU A 1 161 ? -41.77108 -3.76663  -0.63154  1.000 24.63153  ?  169 LEU A HD12 1 
ATOM   2570 H  HD13 . LEU A 1 161 ? -42.90825 -2.82564  -1.21883  1.000 24.63153  ?  169 LEU A HD13 1 
ATOM   2571 H  HD21 . LEU A 1 161 ? -44.39805 -2.41326  1.17737   1.000 25.64734  ?  169 LEU A HD21 1 
ATOM   2572 H  HD22 . LEU A 1 161 ? -45.26803 -2.93634  -0.04453  1.000 25.64734  ?  169 LEU A HD22 1 
ATOM   2573 H  HD23 . LEU A 1 161 ? -45.29461 -3.71449  1.34013   1.000 25.64734  ?  169 LEU A HD23 1 
ATOM   2574 N  N    . PHE A 1 162 ? -45.15427 -8.00834  -1.69825  1.000 16.59538  ?  170 PHE A N    1 
ATOM   2575 C  CA   . PHE A 1 162 ? -45.88833 -8.83029  -2.65074  1.000 17.37950  ?  170 PHE A CA   1 
ATOM   2576 C  C    . PHE A 1 162 ? -47.08280 -9.48638  -1.99303  1.000 16.36196  ?  170 PHE A C    1 
ATOM   2577 O  O    . PHE A 1 162 ? -48.15884 -9.58215  -2.59784  1.000 16.98250  ?  170 PHE A O    1 
ATOM   2578 C  CB   . PHE A 1 162 ? -44.94879 -9.88748  -3.19910  1.000 18.71560  ?  170 PHE A CB   1 
ATOM   2579 C  CG   . PHE A 1 162 ? -45.49738 -10.64791 -4.35280  1.000 17.38644  ?  170 PHE A CG   1 
ATOM   2580 C  CD1  . PHE A 1 162 ? -45.46013 -10.10700 -5.60647  1.000 20.57779  ?  170 PHE A CD1  1 
ATOM   2581 C  CD2  . PHE A 1 162 ? -46.06556 -11.88732 -4.16783  1.000 17.42000  ?  170 PHE A CD2  1 
ATOM   2582 C  CE1  . PHE A 1 162 ? -45.95207 -10.78206 -6.67947  1.000 20.37773  ?  170 PHE A CE1  1 
ATOM   2583 C  CE2  . PHE A 1 162 ? -46.55277 -12.58293 -5.23865  1.000 18.24087  ?  170 PHE A CE2  1 
ATOM   2584 C  CZ   . PHE A 1 162 ? -46.47952 -12.03033 -6.50763  1.000 17.56357  ?  170 PHE A CZ   1 
ATOM   2585 H  H    . PHE A 1 162 ? -44.35076 -8.27203  -1.54190  1.000 19.93758  ?  170 PHE A H    1 
ATOM   2586 H  HA   . PHE A 1 162 ? -46.21284 -8.27896  -3.37987  1.000 20.87852  ?  170 PHE A HA   1 
ATOM   2587 H  HB2  . PHE A 1 162 ? -44.13204 -9.45464  -3.49319  1.000 22.48184  ?  170 PHE A HB2  1 
ATOM   2588 H  HB3  . PHE A 1 162 ? -44.75172 -10.52368 -2.49390  1.000 22.48184  ?  170 PHE A HB3  1 
ATOM   2589 H  HD1  . PHE A 1 162 ? -45.09170 -9.26183  -5.72839  1.000 24.71646  ?  170 PHE A HD1  1 
ATOM   2590 H  HD2  . PHE A 1 162 ? -46.11809 -12.25184 -3.31386  1.000 20.92712  ?  170 PHE A HD2  1 
ATOM   2591 H  HE1  . PHE A 1 162 ? -45.92954 -10.39617 -7.52533  1.000 24.47639  ?  170 PHE A HE1  1 
ATOM   2592 H  HE2  . PHE A 1 162 ? -46.93178 -13.42334 -5.11638  1.000 21.91216  ?  170 PHE A HE2  1 
ATOM   2593 H  HZ   . PHE A 1 162 ? -46.78945 -12.50936 -7.24205  1.000 21.09940  ?  170 PHE A HZ   1 
ATOM   2594 N  N    . ASP A 1 163 ? -46.88049 -10.02429 -0.78134  1.000 16.60071  ?  171 ASP A N    1 
ATOM   2595 C  CA   . ASP A 1 163 ? -47.97173 -10.59529 -0.00654  1.000 17.55678  ?  171 ASP A CA   1 
ATOM   2596 C  C    . ASP A 1 163 ? -49.10163 -9.60259  0.17773   1.000 19.03780  ?  171 ASP A C    1 
ATOM   2597 O  O    . ASP A 1 163 ? -50.27459 -9.95030  0.00867   1.000 18.99836  ?  171 ASP A O    1 
ATOM   2598 C  CB   . ASP A 1 163 ? -47.42153 -11.06366 1.34295   1.000 17.80541  ?  171 ASP A CB   1 
ATOM   2599 C  CG   . ASP A 1 163 ? -48.50822 -11.60513 2.26965   1.000 19.20575  ?  171 ASP A CG   1 
ATOM   2600 O  OD1  . ASP A 1 163 ? -49.22236 -10.79389 2.93304   1.000 19.36487  ?  171 ASP A OD1  1 
ATOM   2601 O  OD2  . ASP A 1 163 ? -48.62514 -12.84801 2.35258   1.000 19.09458  ?  171 ASP A OD2  1 
ATOM   2602 H  H    . ASP A 1 163 ? -46.11591 -10.06793 -0.39005  1.000 19.94397  ?  171 ASP A H    1 
ATOM   2603 H  HA   . ASP A 1 163 ? -48.34127 -11.36124 -0.47309  1.000 21.09126  ?  171 ASP A HA   1 
ATOM   2604 H  HB2  . ASP A 1 163 ? -46.77591 -11.77174 1.19231   1.000 21.38961  ?  171 ASP A HB2  1 
ATOM   2605 H  HB3  . ASP A 1 163 ? -46.99466 -10.31449 1.78727   1.000 21.38961  ?  171 ASP A HB3  1 
ATOM   2606 N  N    . THR A 1 164 ? -48.77270 -8.35732  0.52310   1.000 18.43373  ?  172 THR A N    1 
ATOM   2607 C  CA   . THR A 1 164 ? -49.82855 -7.40541  0.85187   1.000 23.00694  ?  172 THR A CA   1 
ATOM   2608 C  C    . THR A 1 164 ? -50.50160 -6.85066  -0.39799  1.000 22.77910  ?  172 THR A C    1 
ATOM   2609 O  O    . THR A 1 164 ? -51.69609 -6.52057  -0.36812  1.000 26.49049  ?  172 THR A O    1 
ATOM   2610 C  CB   . THR A 1 164 ? -49.29211 -6.27356  1.74066   1.000 28.20551  ?  172 THR A CB   1 
ATOM   2611 O  OG1  . THR A 1 164 ? -48.02989 -5.80096  1.28226   1.000 30.55303  ?  172 THR A OG1  1 
ATOM   2612 C  CG2  . THR A 1 164 ? -49.08965 -6.77539  3.15262   1.000 29.05600  ?  172 THR A CG2  1 
ATOM   2613 H  H    . THR A 1 164 ? -47.97111 -8.04977  0.57272   1.000 22.14360  ?  172 THR A H    1 
ATOM   2614 H  HA   . THR A 1 164 ? -50.50728 -7.86365  1.37171   1.000 27.63144  ?  172 THR A HA   1 
ATOM   2615 H  HB   . THR A 1 164 ? -49.93728 -5.54958  1.71809   1.000 33.86973  ?  172 THR A HB   1 
ATOM   2616 H  HG1  . THR A 1 164 ? -47.69630 -5.27753  1.84823   1.000 36.68675  ?  172 THR A HG1  1 
ATOM   2617 H  HG21 . THR A 1 164 ? -48.84414 -6.03908  3.73440   1.000 34.89032  ?  172 THR A HG21 1 
ATOM   2618 H  HG22 . THR A 1 164 ? -49.90841 -7.17763  3.48235   1.000 34.89032  ?  172 THR A HG22 1 
ATOM   2619 H  HG23 . THR A 1 164 ? -48.38312 -7.43978  3.17047   1.000 34.89032  ?  172 THR A HG23 1 
ATOM   2620 N  N    . HIS A 1 165 ? -49.77225 -6.71689  -1.49829  1.000 20.34015  ?  173 HIS A N    1 
ATOM   2621 C  CA   . HIS A 1 165 ? -50.33925 -6.05520  -2.66486  1.000 20.87649  ?  173 HIS A CA   1 
ATOM   2622 C  C    . HIS A 1 165 ? -50.85790 -7.04612  -3.69767  1.000 21.66661  ?  173 HIS A C    1 
ATOM   2623 O  O    . HIS A 1 165 ? -52.05234 -7.03526  -4.00127  1.000 29.27983  ?  173 HIS A O    1 
ATOM   2624 C  CB   . HIS A 1 165 ? -49.34311 -5.04186  -3.22244  1.000 19.90763  ?  173 HIS A CB   1 
ATOM   2625 C  CG   . HIS A 1 165 ? -49.11930 -3.87193  -2.30853  1.000 23.81559  ?  173 HIS A CG   1 
ATOM   2626 N  ND1  . HIS A 1 165 ? -48.01695 -3.76961  -1.49032  1.000 30.47904  ?  173 HIS A ND1  1 
ATOM   2627 C  CD2  . HIS A 1 165 ? -49.89178 -2.79907  -2.01730  1.000 21.48189  ?  173 HIS A CD2  1 
ATOM   2628 C  CE1  . HIS A 1 165 ? -48.07985 -2.65110  -0.79015  1.000 29.05068  ?  173 HIS A CE1  1 
ATOM   2629 N  NE2  . HIS A 1 165 ? -49.20468 -2.03246  -1.09445  1.000 20.58849  ?  173 HIS A NE2  1 
ATOM   2630 H  H    . HIS A 1 165 ? -48.96387 -6.99526  -1.59121  1.000 24.43130  ?  173 HIS A H    1 
ATOM   2631 H  HA   . HIS A 1 165 ? -51.11776 -5.53969  -2.40204  1.000 25.07491  ?  173 HIS A HA   1 
ATOM   2632 H  HB2  . HIS A 1 165 ? -48.48963 -5.48220  -3.35874  1.000 23.91228  ?  173 HIS A HB2  1 
ATOM   2633 H  HB3  . HIS A 1 165 ? -49.67950 -4.70184  -4.06631  1.000 23.91228  ?  173 HIS A HB3  1 
ATOM   2634 H  HD1  . HIS A 1 165 ? -47.38200 -4.34764  -1.44214  1.000 36.59796  ?  173 HIS A HD1  1 
ATOM   2635 H  HD2  . HIS A 1 165 ? -50.73060 -2.61205  -2.37271  1.000 25.80139  ?  173 HIS A HD2  1 
ATOM   2636 H  HE1  . HIS A 1 165 ? -47.44008 -2.35088  -0.18561  1.000 34.88394  ?  173 HIS A HE1  1 
ATOM   2637 N  N    . THR A 1 166 ? -50.00637 -7.91390  -4.22758  1.000 18.96327  ?  174 THR A N    1 
ATOM   2638 C  CA   . THR A 1 166 ? -50.45683 -8.79250  -5.29922  1.000 18.97122  ?  174 THR A CA   1 
ATOM   2639 C  C    . THR A 1 166 ? -51.36571 -9.89306  -4.78166  1.000 19.47663  ?  174 THR A C    1 
ATOM   2640 O  O    . THR A 1 166 ? -52.40653 -10.18343 -5.39004  1.000 21.29323  ?  174 THR A O    1 
ATOM   2641 C  CB   . THR A 1 166 ? -49.24777 -9.38877  -6.01991  1.000 19.12959  ?  174 THR A CB   1 
ATOM   2642 O  OG1  . THR A 1 166 ? -48.53656 -8.31603  -6.63838  1.000 20.82024  ?  174 THR A OG1  1 
ATOM   2643 C  CG2  . THR A 1 166 ? -49.66453 -10.39093 -7.08235  1.000 20.86950  ?  174 THR A CG2  1 
ATOM   2644 H  H    . THR A 1 166 ? -49.18506 -8.01244  -3.99235  1.000 22.77905  ?  174 THR A H    1 
ATOM   2645 H  HA   . THR A 1 166 ? -50.96736 -8.26643  -5.93445  1.000 22.78859  ?  174 THR A HA   1 
ATOM   2646 H  HB   . THR A 1 166 ? -48.68651 -9.86228  -5.38613  1.000 22.97862  ?  174 THR A HB   1 
ATOM   2647 H  HG1  . THR A 1 166 ? -47.85188 -8.61078  -7.02560  1.000 25.00741  ?  174 THR A HG1  1 
ATOM   2648 H  HG21 . THR A 1 166 ? -48.89895 -10.63710 -7.62473  1.000 25.06652  ?  174 THR A HG21 1 
ATOM   2649 H  HG22 . THR A 1 166 ? -50.02308 -11.18888 -6.66330  1.000 25.06652  ?  174 THR A HG22 1 
ATOM   2650 H  HG23 . THR A 1 166 ? -50.34468 -10.00351 -7.65525  1.000 25.06652  ?  174 THR A HG23 1 
ATOM   2651 N  N    . LEU A 1 167 ? -50.98415 -10.52874 -3.67696  1.000 19.99803  ?  175 LEU A N    1 
ATOM   2652 C  CA   . LEU A 1 167 ? -51.75636 -11.65829 -3.16739  1.000 21.21945  ?  175 LEU A CA   1 
ATOM   2653 C  C    . LEU A 1 167 ? -52.84552 -11.23135 -2.19826  1.000 27.06607  ?  175 LEU A C    1 
ATOM   2654 O  O    . LEU A 1 167 ? -53.71105 -12.05014 -1.86917  1.000 28.27159  ?  175 LEU A O    1 
ATOM   2655 C  CB   . LEU A 1 167 ? -50.84907 -12.68662 -2.50690  1.000 19.66984  ?  175 LEU A CB   1 
ATOM   2656 C  CG   . LEU A 1 167 ? -49.75964 -13.26752 -3.41882  1.000 19.25112  ?  175 LEU A CG   1 
ATOM   2657 C  CD1  . LEU A 1 167 ? -48.93873 -14.27001 -2.64946  1.000 21.60034  ?  175 LEU A CD1  1 
ATOM   2658 C  CD2  . LEU A 1 167 ? -50.35395 -13.90005 -4.65962  1.000 19.38558  ?  175 LEU A CD2  1 
ATOM   2659 H  H    . LEU A 1 167 ? -50.29028 -10.32724 -3.21054  1.000 24.02076  ?  175 LEU A H    1 
ATOM   2660 H  HA   . LEU A 1 167 ? -52.18071 -12.10377 -3.91731  1.000 25.48646  ?  175 LEU A HA   1 
ATOM   2661 H  HB2  . LEU A 1 167 ? -50.40560 -12.26570 -1.75387  1.000 23.62692  ?  175 LEU A HB2  1 
ATOM   2662 H  HB3  . LEU A 1 167 ? -51.39651 -13.42570 -2.19873  1.000 23.62692  ?  175 LEU A HB3  1 
ATOM   2663 H  HG   . LEU A 1 167 ? -49.18053 -12.54899 -3.71755  1.000 23.12446  ?  175 LEU A HG   1 
ATOM   2664 H  HD11 . LEU A 1 167 ? -48.19924 -14.56458 -3.20378  1.000 25.94353  ?  175 LEU A HD11 1 
ATOM   2665 H  HD12 . LEU A 1 167 ? -48.60082 -13.84937 -1.84337  1.000 25.94353  ?  175 LEU A HD12 1 
ATOM   2666 H  HD13 . LEU A 1 167 ? -49.50004 -15.02635 -2.41752  1.000 25.94353  ?  175 LEU A HD13 1 
ATOM   2667 H  HD21 . LEU A 1 167 ? -49.65352 -14.36497 -5.14350  1.000 23.28581  ?  175 LEU A HD21 1 
ATOM   2668 H  HD22 . LEU A 1 167 ? -51.04497 -14.52701 -4.39443  1.000 23.28581  ?  175 LEU A HD22 1 
ATOM   2669 H  HD23 . LEU A 1 167 ? -50.73522 -13.20394 -5.21727  1.000 23.28581  ?  175 LEU A HD23 1 
ATOM   2670 N  N    . GLY A 1 168 ? -52.82310 -9.97766  -1.74364  1.000 31.39614  ?  176 GLY A N    1 
ATOM   2671 C  CA   . GLY A 1 168 ? -53.96880 -9.44946  -1.03047  1.000 37.57867  ?  176 GLY A CA   1 
ATOM   2672 C  C    . GLY A 1 168 ? -55.15788 -9.30316  -1.95443  1.000 42.67898  ?  176 GLY A C    1 
ATOM   2673 O  O    . GLY A 1 168 ? -56.27918 -9.65746  -1.58675  1.000 44.06513  ?  176 GLY A O    1 
ATOM   2674 H  H    . GLY A 1 168 ? -52.16796 -9.42821  -1.83579  1.000 37.69849  ?  176 GLY A H    1 
ATOM   2675 H  HA2  . GLY A 1 168 ? -54.20794 -10.04892 -0.30634  1.000 45.11752  ?  176 GLY A HA2  1 
ATOM   2676 H  HA3  . GLY A 1 168 ? -53.75131 -8.57924  -0.66127  1.000 45.11752  ?  176 GLY A HA3  1 
ATOM   2677 N  N    . ASN A 1 169 ? -54.91598 -8.78173  -3.16266  1.000 56.12176  ?  177 ASN A N    1 
ATOM   2678 C  CA   . ASN A 1 169 ? -55.81501 -8.80648  -4.32868  1.000 61.56015  ?  177 ASN A CA   1 
ATOM   2679 C  C    . ASN A 1 169 ? -55.96464 -7.39030  -4.89085  1.000 61.90742  ?  177 ASN A C    1 
ATOM   2680 O  O    . ASN A 1 169 ? -54.97419 -6.67400  -5.06587  1.000 62.16623  ?  177 ASN A O    1 
ATOM   2681 C  CB   . ASN A 1 169 ? -57.17382 -9.43702  -4.05342  1.000 66.01192  ?  177 ASN A CB   1 
ATOM   2682 C  CG   . ASN A 1 169 ? -57.11923 -10.95672 -4.08503  1.000 69.74569  ?  177 ASN A CG   1 
ATOM   2683 O  OD1  . ASN A 1 169 ? -56.08118 -11.55177 -4.40162  1.000 70.80141  ?  177 ASN A OD1  1 
ATOM   2684 N  ND2  . ASN A 1 169 ? -58.24194 -11.59385 -3.76312  1.000 70.36050  ?  177 ASN A ND2  1 
ATOM   2685 H  H    . ASN A 1 169 ? -54.18133 -8.37584  -3.35011  1.000 67.36923  ?  177 ASN A H    1 
ATOM   2686 H  HA   . ASN A 1 169 ? -55.41863 -9.38391  -4.99977  1.000 73.89530  ?  177 ASN A HA   1 
ATOM   2687 H  HB2  . ASN A 1 169 ? -57.47925 -9.16373  -3.17426  1.000 79.23742  ?  177 ASN A HB2  1 
ATOM   2688 H  HB3  . ASN A 1 169 ? -57.80394 -9.14304  -4.72976  1.000 79.23742  ?  177 ASN A HB3  1 
ATOM   2689 H  HD21 . ASN A 1 169 ? -58.26428 -12.45356 -3.76543  1.000 84.45572  ?  177 ASN A HD21 1 
ATOM   2690 H  HD22 . ASN A 1 169 ? -58.94533 -11.14599 -3.55273  1.000 84.45572  ?  177 ASN A HD22 1 
HETATM 2691 FE FE   . FE  B 2 .   ? -54.48935 -29.65707 -11.59074 0.967 20.99886  3  201 FE  A FE   1 
HETATM 2692 FE FE   . FE  C 2 .   ? -52.37266 -26.89108 -11.15056 0.258 28.09166  3  202 FE  A FE   1 
HETATM 2693 FE FE   . FE  D 2 .   ? -49.23007 0.00000   0.00000   0.25  40.22913  2  203 FE  A FE   1 
HETATM 2694 FE FE   . FE  E 2 .   ? -60.35071 -20.51464 -8.04662  0.285 38.45206  3  204 FE  A FE   1 
HETATM 2695 MG MG   . MG  F 3 .   ? -59.63406 -31.75094 -31.75094 0.33  20.67958  2  205 MG  A MG   1 
HETATM 2696 MG MG   . MG  G 3 .   ? -63.47468 -27.91032 -27.91032 0.33  57.15226  2  206 MG  A MG   1 
HETATM 2697 MG MG   . MG  H 3 .   ? -49.76820 -49.76820 0.00000   0.50  19.16913  2  207 MG  A MG   1 
HETATM 2698 MG MG   . MG  I 3 .   ? -54.68734 -23.45599 -11.70837 1.000 36.79193  2  208 MG  A MG   1 
HETATM 2699 MG MG   . MG  J 3 .   ? -55.46283 -21.19837 -9.17602  0.576 42.28453  2  209 MG  A MG   1 
HETATM 2700 MG MG   . MG  K 3 .   ? -40.07331 -37.41969 -0.76933  1.000 37.97787  2  210 MG  A MG   1 
HETATM 2701 MG MG   . MG  L 3 .   ? -59.16981 -25.47618 -19.77881 0.901 29.81340  2  211 MG  A MG   1 
HETATM 2702 MG MG   . MG  M 3 .   ? -47.62487 -10.96175 -10.48513 1.000 27.26638  2  212 MG  A MG   1 
HETATM 2703 MG MG   . MG  N 3 .   ? -54.88005 -41.90727 -6.66629  0.974 24.42824  2  213 MG  A MG   1 
HETATM 2704 MG MG   . MG  O 3 .   ? -62.67358 -23.65345 -23.41002 1.000 76.08500  ?  214 MG  A MG   1 
HETATM 2705 CL CL   . CL  P 4 .   ? -50.30786 -47.25697 -4.01824  0.702 21.09060  -1 215 CL  A CL   1 
HETATM 2706 CL CL   . CL  Q 4 .   ? -35.03209 -19.31928 -1.08856  0.720 36.33138  -1 216 CL  A CL   1 
HETATM 2707 CL CL   . CL  R 4 .   ? -33.03784 -21.45825 -6.02922  1.000 97.83813  -1 217 CL  A CL   1 
HETATM 2708 CL CL   . CL  S 4 .   ? -69.35667 -39.40067 -10.51351 1.000 65.33901  -1 218 CL  A CL   1 
HETATM 2709 CL CL   . CL  T 4 .   ? -36.55816 -30.53324 1.66667   1.000 105.36027 -1 219 CL  A CL   1 
HETATM 2710 CL CL   . CL  U 4 .   ? -38.16900 -10.66480 0.71215   0.529 34.01109  -1 220 CL  A CL   1 
HETATM 2711 CL CL   . CL  V 4 .   ? -51.43547 0.00000   0.00000   0.25  46.61606  -1 221 CL  A CL   1 
HETATM 2712 CL CL   . CL  W 4 .   ? -47.03250 0.00000   0.00000   0.25  37.65512  -1 222 CL  A CL   1 
HETATM 2713 O  O1   . PEO X 5 .   ? -53.70348 -27.79960 -12.04196 0.688 26.24918  ?  223 PEO A O1   1 
HETATM 2714 O  O2   . PEO X 5 .   ? -52.70079 -28.76948 -11.86924 0.688 25.72575  ?  223 PEO A O2   1 
HETATM 2715 H  HO1  . PEO X 5 .   ? -53.25832 -27.15701 -12.36757 0.688 31.52214  ?  223 PEO A HO1  1 
HETATM 2716 H  HO2  . PEO X 5 .   ? -52.44825 -28.60846 -11.07054 0.688 30.89401  ?  223 PEO A HO2  1 
HETATM 2717 O  O    . HOH Y 6 .   ? -56.62505 -24.17423 -10.78537 1.000 53.17152  ?  301 HOH A O    1 
HETATM 2718 O  O    . HOH Y 6 .   ? -54.88850 -23.44307 -9.73510  1.000 38.14759  ?  302 HOH A O    1 
HETATM 2719 O  O    . HOH Y 6 .   ? -65.951   -45.880   -12.154   1.000 42.52947  ?  303 HOH A O    1 
HETATM 2720 O  O    . HOH Y 6 .   ? -38.90909 -29.25802 -4.06502  1.000 46.14651  ?  304 HOH A O    1 
HETATM 2721 O  O    . HOH Y 6 .   ? -35.53167 -22.50894 -6.93555  1.000 53.96526  ?  305 HOH A O    1 
HETATM 2722 O  O    . HOH Y 6 .   ? -63.607   -29.454   -28.233   1.000 23.17018  ?  306 HOH A O    1 
HETATM 2723 O  O    . HOH Y 6 .   ? -54.54086 -30.10553 -13.65355 1.000 23.04726  ?  307 HOH A O    1 
HETATM 2724 O  O    . HOH Y 6 .   ? -66.61998 -29.59870 -24.44703 1.000 83.82240  ?  308 HOH A O    1 
HETATM 2725 O  O    . HOH Y 6 .   ? -42.14011 -35.25009 6.00477   1.000 36.05576  ?  309 HOH A O    1 
HETATM 2726 O  O    A HOH Y 6 .   ? -58.92733 -28.01823 -14.46472 0.831 30.56140  ?  310 HOH A O    1 
HETATM 2727 O  O    . HOH Y 6 .   ? -53.70096 -25.33644 -12.17595 1.000 34.08193  ?  311 HOH A O    1 
HETATM 2728 O  O    . HOH Y 6 .   ? -35.29381 -20.11026 -5.24658  1.000 46.32261  ?  312 HOH A O    1 
HETATM 2729 O  O    . HOH Y 6 .   ? -60.62507 -24.77177 -23.09766 1.000 93.09301  ?  313 HOH A O    1 
HETATM 2730 O  O    . HOH Y 6 .   ? -63.70911 -30.52068 -5.16847  1.000 31.29283  ?  314 HOH A O    1 
HETATM 2731 O  O    . HOH Y 6 .   ? -59.05044 -50.10623 -13.74612 1.000 48.29690  ?  315 HOH A O    1 
HETATM 2732 O  O    . HOH Y 6 .   ? -51.24889 -38.43578 -30.66262 1.000 33.76343  ?  316 HOH A O    1 
HETATM 2733 O  O    . HOH Y 6 .   ? -44.45759 -29.27113 5.92626   1.000 43.63381  ?  317 HOH A O    1 
HETATM 2734 O  O    . HOH Y 6 .   ? -57.01557 -50.14498 -17.48918 1.000 36.89913  ?  318 HOH A O    1 
HETATM 2735 O  O    . HOH Y 6 .   ? -52.86446 -23.61316 -10.39477 1.000 38.08743  ?  319 HOH A O    1 
HETATM 2736 O  O    . HOH Y 6 .   ? -63.75392 -32.86196 -2.11958  1.000 26.74467  ?  320 HOH A O    1 
HETATM 2737 O  O    . HOH Y 6 .   ? -50.51121 -10.88922 5.15884   1.000 33.44415  ?  321 HOH A O    1 
HETATM 2738 O  O    . HOH Y 6 .   ? -35.61336 -4.59224  -3.18343  1.000 38.61799  ?  322 HOH A O    1 
HETATM 2739 O  O    . HOH Y 6 .   ? -48.33202 -48.33202 0.00000   0.50  22.88684  ?  323 HOH A O    1 
HETATM 2740 O  O    . HOH Y 6 .   ? -65.22101 -28.54965 -28.10383 1.000 35.78775  ?  324 HOH A O    1 
HETATM 2741 O  O    . HOH Y 6 .   ? -44.39579 -31.32315 2.83806   1.000 30.79292  ?  325 HOH A O    1 
HETATM 2742 O  O    . HOH Y 6 .   ? -47.80722 -9.13670  4.36255   1.000 37.75152  ?  326 HOH A O    1 
HETATM 2743 O  O    . HOH Y 6 .   ? -46.50469 -44.60832 -1.12986  1.000 33.81284  ?  327 HOH A O    1 
HETATM 2744 O  O    . HOH Y 6 .   ? -51.89706 -46.02817 -20.22822 1.000 36.43046  ?  328 HOH A O    1 
HETATM 2745 O  O    . HOH Y 6 .   ? -42.74371 -37.97386 -1.90020  1.000 22.32193  ?  329 HOH A O    1 
HETATM 2746 O  O    . HOH Y 6 .   ? -60.03023 -44.14342 -24.99477 1.000 28.70467  ?  330 HOH A O    1 
HETATM 2747 O  O    . HOH Y 6 .   ? -57.42958 -33.62120 -2.82055  1.000 29.43523  ?  331 HOH A O    1 
HETATM 2748 O  O    . HOH Y 6 .   ? -51.18439 -48.34664 0.32511   1.000 20.02800  ?  332 HOH A O    1 
HETATM 2749 O  O    . HOH Y 6 .   ? -31.99769 -9.52396  -3.20427  1.000 41.67141  ?  333 HOH A O    1 
HETATM 2750 O  O    . HOH Y 6 .   ? -54.30839 -25.17276 -8.37918  1.000 28.30256  ?  334 HOH A O    1 
HETATM 2751 O  O    . HOH Y 6 .   ? -71.52294 -46.05819 -24.25560 1.000 33.34557  ?  335 HOH A O    1 
HETATM 2752 O  O    . HOH Y 6 .   ? -44.98982 -34.83772 -16.15029 1.000 36.06249  ?  336 HOH A O    1 
HETATM 2753 O  O    . HOH Y 6 .   ? -64.89472 -40.74588 -27.59963 1.000 21.13136  ?  337 HOH A O    1 
HETATM 2754 O  O    . HOH Y 6 .   ? -33.76648 -6.03844  -8.82106  1.000 40.91830  ?  338 HOH A O    1 
HETATM 2755 O  O    . HOH Y 6 .   ? -40.39570 -9.93087  3.45760   1.000 24.43410  ?  339 HOH A O    1 
HETATM 2756 O  O    . HOH Y 6 .   ? -61.32459 -45.59749 -31.30598 1.000 42.76129  ?  340 HOH A O    1 
HETATM 2757 O  O    . HOH Y 6 .   ? -71.50239 -42.84206 -20.75053 1.000 22.19738  ?  341 HOH A O    1 
HETATM 2758 O  O    . HOH Y 6 .   ? -51.75579 -20.66465 -10.49240 1.000 35.79086  ?  342 HOH A O    1 
HETATM 2759 O  O    . HOH Y 6 .   ? -41.40085 -13.92312 5.98045   1.000 25.24873  ?  343 HOH A O    1 
HETATM 2760 O  O    . HOH Y 6 .   ? -60.157   -20.465   -22.743   1.000 69.66904  ?  344 HOH A O    1 
HETATM 2761 O  O    . HOH Y 6 .   ? -49.62654 -16.57765 10.30463  1.000 33.89408  ?  345 HOH A O    1 
HETATM 2762 O  O    . HOH Y 6 .   ? -60.20630 -32.39674 -29.90570 1.000 28.50375  ?  346 HOH A O    1 
HETATM 2763 O  O    . HOH Y 6 .   ? -51.90533 -27.03637 -21.82743 1.000 20.15868  ?  347 HOH A O    1 
HETATM 2764 O  O    . HOH Y 6 .   ? -39.29155 -32.90306 4.58762   1.000 62.84034  ?  348 HOH A O    1 
HETATM 2765 O  O    . HOH Y 6 .   ? -54.24419 -14.61001 -1.10915  1.000 36.28604  ?  349 HOH A O    1 
HETATM 2766 O  O    . HOH Y 6 .   ? -65.97057 -34.05811 -23.53439 1.000 24.55437  ?  350 HOH A O    1 
HETATM 2767 O  O    . HOH Y 6 .   ? -41.76107 -5.75759  -10.96504 1.000 29.18422  ?  351 HOH A O    1 
HETATM 2768 O  O    . HOH Y 6 .   ? -59.17799 -29.81332 -0.97542  1.000 37.78884  ?  352 HOH A O    1 
HETATM 2769 O  O    . HOH Y 6 .   ? -47.93595 -8.47482  -9.30261  1.000 32.25408  ?  353 HOH A O    1 
HETATM 2770 O  O    . HOH Y 6 .   ? -66.294   -30.256   -22.575   1.000 79.38374  ?  354 HOH A O    1 
HETATM 2771 O  O    . HOH Y 6 .   ? -69.61806 -46.10171 -13.80560 1.000 23.58774  ?  355 HOH A O    1 
HETATM 2772 O  O    . HOH Y 6 .   ? -56.75901 -29.15021 0.50789   1.000 29.18616  ?  356 HOH A O    1 
HETATM 2773 O  O    . HOH Y 6 .   ? -53.00060 -39.14125 -33.14413 1.000 39.08918  ?  357 HOH A O    1 
HETATM 2774 O  O    . HOH Y 6 .   ? -56.72975 -23.63645 9.31697   1.000 39.31326  ?  358 HOH A O    1 
HETATM 2775 O  O    . HOH Y 6 .   ? -45.48893 -36.88798 -17.78386 1.000 44.61526  ?  359 HOH A O    1 
HETATM 2776 O  O    . HOH Y 6 .   ? -57.42778 -26.01559 -24.03990 1.000 30.12582  ?  360 HOH A O    1 
HETATM 2777 O  O    . HOH Y 6 .   ? -43.770   -45.642   -4.868    1.000 28.18392  ?  361 HOH A O    1 
HETATM 2778 O  O    . HOH Y 6 .   ? -55.33391 -17.88547 -8.84985  1.000 48.55782  ?  362 HOH A O    1 
HETATM 2779 O  O    . HOH Y 6 .   ? -49.05638 -39.83357 -31.71222 1.000 52.49626  ?  363 HOH A O    1 
HETATM 2780 O  O    . HOH Y 6 .   ? -34.15966 -11.50317 -6.37612  1.000 27.48321  ?  364 HOH A O    1 
HETATM 2781 O  O    . HOH Y 6 .   ? -31.54503 -12.01810 -4.06711  1.000 55.73923  ?  365 HOH A O    1 
HETATM 2782 O  O    . HOH Y 6 .   ? -60.71549 -45.14395 -27.60648 1.000 31.85097  ?  366 HOH A O    1 
HETATM 2783 O  O    . HOH Y 6 .   ? -63.34511 -24.19404 -21.47071 1.000 43.27832  ?  367 HOH A O    1 
HETATM 2784 O  O    . HOH Y 6 .   ? -45.94245 -19.86722 18.03016  1.000 34.36649  ?  368 HOH A O    1 
HETATM 2785 O  O    . HOH Y 6 .   ? -55.83784 -42.78726 -9.00933  1.000 20.58562  ?  369 HOH A O    1 
HETATM 2786 O  O    . HOH Y 6 .   ? -56.64196 -21.24421 -11.14615 1.000 54.84704  ?  370 HOH A O    1 
HETATM 2787 O  O    . HOH Y 6 .   ? -67.60144 -45.00065 -22.43922 1.000 29.40142  ?  371 HOH A O    1 
HETATM 2788 O  O    . HOH Y 6 .   ? -52.31037 -34.25513 -28.79771 1.000 27.27720  ?  372 HOH A O    1 
HETATM 2789 O  O    . HOH Y 6 .   ? -48.57277 -39.23877 -9.33929  1.000 29.70887  ?  373 HOH A O    1 
HETATM 2790 O  O    . HOH Y 6 .   ? -62.06083 -28.61171 -3.61436  1.000 32.73384  ?  374 HOH A O    1 
HETATM 2791 O  O    . HOH Y 6 .   ? -33.01378 -14.38129 -5.39242  1.000 41.62035  ?  375 HOH A O    1 
HETATM 2792 O  O    . HOH Y 6 .   ? -48.42670 -43.18464 -5.60505  1.000 26.41064  ?  376 HOH A O    1 
HETATM 2793 O  O    . HOH Y 6 .   ? -41.24563 -34.02860 2.72843   1.000 36.36768  ?  377 HOH A O    1 
HETATM 2794 O  O    . HOH Y 6 .   ? -50.52002 -33.49164 -26.85349 1.000 27.26134  ?  378 HOH A O    1 
HETATM 2795 O  O    . HOH Y 6 .   ? -49.38663 -40.42854 -11.39411 1.000 38.19752  ?  379 HOH A O    1 
HETATM 2796 O  O    . HOH Y 6 .   ? -48.70344 -39.23780 -5.43479  1.000 18.81905  ?  380 HOH A O    1 
HETATM 2797 O  O    . HOH Y 6 .   ? -58.46433 -18.72186 -8.76462  1.000 57.06490  ?  381 HOH A O    1 
HETATM 2798 O  O    . HOH Y 6 .   ? -50.34750 -38.88459 -18.94818 1.000 31.31507  ?  382 HOH A O    1 
HETATM 2799 O  O    . HOH Y 6 .   ? -53.70988 -8.55213  -7.31835  1.000 51.50160  ?  383 HOH A O    1 
HETATM 2800 O  O    . HOH Y 6 .   ? -39.45137 -22.80829 -11.55609 1.000 24.98947  ?  384 HOH A O    1 
HETATM 2801 O  O    . HOH Y 6 .   ? -72.75028 -37.85776 -15.37276 1.000 33.59865  ?  385 HOH A O    1 
HETATM 2802 O  O    . HOH Y 6 .   ? -56.81703 -19.57964 -9.47984  1.000 54.29643  ?  386 HOH A O    1 
HETATM 2803 O  O    . HOH Y 6 .   ? -54.82034 -34.47852 -2.00653  1.000 25.41466  ?  387 HOH A O    1 
HETATM 2804 O  O    . HOH Y 6 .   ? -48.92177 -40.28860 -24.94811 1.000 33.49588  ?  388 HOH A O    1 
HETATM 2805 O  O    . HOH Y 6 .   ? -49.61463 -39.04438 -14.81967 1.000 40.83296  ?  389 HOH A O    1 
HETATM 2806 O  O    . HOH Y 6 .   ? -46.48284 -27.45302 5.94340   1.000 30.89396  ?  390 HOH A O    1 
HETATM 2807 O  O    . HOH Y 6 .   ? -41.82565 -28.69252 -7.87652  1.000 33.33743  ?  391 HOH A O    1 
HETATM 2808 O  O    . HOH Y 6 .   ? -52.87999 -16.09004 -16.11883 1.000 28.93935  ?  392 HOH A O    1 
HETATM 2809 O  O    . HOH Y 6 .   ? -48.88775 -11.96838 6.94704   1.000 33.07110  ?  393 HOH A O    1 
HETATM 2810 O  O    . HOH Y 6 .   ? -51.45606 -40.05280 -16.89138 1.000 31.82868  ?  394 HOH A O    1 
HETATM 2811 O  O    . HOH Y 6 .   ? -42.76642 -26.90913 7.81350   1.000 58.53217  ?  395 HOH A O    1 
HETATM 2812 O  O    . HOH Y 6 .   ? -54.10475 -46.75418 -10.34606 1.000 34.75713  ?  396 HOH A O    1 
HETATM 2813 O  O    . HOH Y 6 .   ? -43.09046 -31.37259 -3.95845  1.000 33.07457  ?  397 HOH A O    1 
HETATM 2814 O  O    . HOH Y 6 .   ? -57.95481 -38.94184 -33.27252 1.000 38.98077  ?  398 HOH A O    1 
HETATM 2815 O  O    . HOH Y 6 .   ? -64.929   -46.935   -10.270   1.000 29.09991  ?  399 HOH A O    1 
HETATM 2816 O  O    A HOH Y 6 .   ? -56.12344 -28.04485 -14.80699 0.752 31.43370  ?  400 HOH A O    1 
HETATM 2817 O  O    . HOH Y 6 .   ? -44.69098 -18.72395 -17.01174 1.000 29.31276  ?  401 HOH A O    1 
HETATM 2818 O  O    . HOH Y 6 .   ? -39.13623 -16.71997 6.61699   1.000 43.49550  ?  402 HOH A O    1 
HETATM 2819 O  O    . HOH Y 6 .   ? -38.242   -38.646   2.752     1.000 49.48444  ?  403 HOH A O    1 
HETATM 2820 O  O    . HOH Y 6 .   ? -40.80687 -15.85845 -14.62877 1.000 39.29155  ?  404 HOH A O    1 
HETATM 2821 O  O    . HOH Y 6 .   ? -42.46347 -30.96207 -9.79286  1.000 40.33270  ?  405 HOH A O    1 
HETATM 2822 O  O    . HOH Y 6 .   ? -54.49036 -32.04880 -0.32266  1.000 28.87374  ?  406 HOH A O    1 
HETATM 2823 O  O    . HOH Y 6 .   ? -59.11784 -24.45058 -11.44991 1.000 33.79093  ?  407 HOH A O    1 
HETATM 2824 O  O    . HOH Y 6 .   ? -54.43371 -13.67964 -5.67055  1.000 47.18940  ?  408 HOH A O    1 
HETATM 2825 O  O    . HOH Y 6 .   ? -39.89303 -23.74614 -14.32704 1.000 27.24752  ?  409 HOH A O    1 
HETATM 2826 O  O    . HOH Y 6 .   ? -66.46499 -49.65600 -28.19981 1.000 48.08463  ?  410 HOH A O    1 
HETATM 2827 O  O    . HOH Y 6 .   ? -66.37145 -35.17212 -15.48734 1.000 29.93117  ?  411 HOH A O    1 
HETATM 2828 O  O    . HOH Y 6 .   ? -67.64507 -48.43419 -13.45792 1.000 42.53574  ?  412 HOH A O    1 
HETATM 2829 O  O    . HOH Y 6 .   ? -38.14463 -13.13407 -15.22399 1.000 41.92881  ?  413 HOH A O    1 
HETATM 2830 O  O    . HOH Y 6 .   ? -43.029   -38.161   -4.988    1.000 47.06760  ?  414 HOH A O    1 
HETATM 2831 O  O    . HOH Y 6 .   ? -37.72177 -29.80449 3.95428   1.000 40.79513  ?  415 HOH A O    1 
HETATM 2832 O  O    . HOH Y 6 .   ? -57.506   -35.241   -31.222   1.000 33.33413  ?  416 HOH A O    1 
HETATM 2833 O  O    . HOH Y 6 .   ? -38.23902 -21.51731 7.16574   1.000 48.03660  ?  417 HOH A O    1 
HETATM 2834 O  O    . HOH Y 6 .   ? -48.254   -25.285   -22.634   1.000 29.54733  ?  418 HOH A O    1 
HETATM 2835 O  O    . HOH Y 6 .   ? -66.772   -32.758   -10.648   1.000 40.68500  ?  419 HOH A O    1 
HETATM 2836 O  O    . HOH Y 6 .   ? -62.15992 -27.98842 -12.33341 1.000 36.81772  ?  420 HOH A O    1 
HETATM 2837 O  O    . HOH Y 6 .   ? -45.41596 -25.89393 7.86704   1.000 28.74990  ?  421 HOH A O    1 
HETATM 2838 O  O    . HOH Y 6 .   ? -51.79088 -13.58423 -15.08033 1.000 45.16609  ?  422 HOH A O    1 
HETATM 2839 O  O    . HOH Y 6 .   ? -49.31624 -41.84023 -27.10431 1.000 44.47163  ?  423 HOH A O    1 
HETATM 2840 O  O    . HOH Y 6 .   ? -57.99000 -19.49565 0.53524   1.000 44.98194  ?  424 HOH A O    1 
HETATM 2841 O  O    . HOH Y 6 .   ? -35.34292 -18.34464 -2.96221  1.000 32.60173  ?  425 HOH A O    1 
HETATM 2842 O  O    . HOH Y 6 .   ? -60.353   -23.950   -21.204   1.000 102.01473 ?  426 HOH A O    1 
HETATM 2843 O  O    . HOH Y 6 .   ? -39.38900 -17.82293 4.57049   1.000 36.80452  ?  427 HOH A O    1 
HETATM 2844 O  O    . HOH Y 6 .   ? -53.17600 -21.55336 7.08141   1.000 53.37606  ?  428 HOH A O    1 
HETATM 2845 O  O    . HOH Y 6 .   ? -60.36247 -21.01040 4.43738   1.000 48.87704  ?  429 HOH A O    1 
HETATM 2846 O  O    . HOH Y 6 .   ? -67.04064 -32.00456 -21.99690 1.000 75.64189  ?  430 HOH A O    1 
HETATM 2847 O  O    . HOH Y 6 .   ? -51.822   -12.840   -19.536   1.000 32.56141  ?  431 HOH A O    1 
HETATM 2848 O  O    . HOH Y 6 .   ? -59.92423 -21.14831 -0.61524  1.000 30.75929  ?  432 HOH A O    1 
HETATM 2849 O  O    . HOH Y 6 .   ? -54.48131 -20.57312 -10.91345 1.000 55.40984  ?  433 HOH A O    1 
HETATM 2850 O  O    . HOH Y 6 .   ? -66.365   -27.644   -25.685   1.000 58.63275  ?  434 HOH A O    1 
HETATM 2851 O  O    . HOH Y 6 .   ? -56.54628 -48.81529 -14.65175 1.000 35.78511  ?  435 HOH A O    1 
HETATM 2852 O  O    . HOH Y 6 .   ? -55.23535 -48.26154 -13.32744 1.000 29.09566  ?  436 HOH A O    1 
HETATM 2853 O  O    . HOH Y 6 .   ? -62.06139 -49.86225 -20.44820 1.000 50.99444  ?  437 HOH A O    1 
HETATM 2854 O  O    . HOH Y 6 .   ? -68.468   -27.909   -21.540   1.000 60.31593  ?  438 HOH A O    1 
HETATM 2855 O  O    . HOH Y 6 .   ? -57.844   -32.519   -31.052   1.000 32.75803  ?  439 HOH A O    1 
HETATM 2856 O  O    . HOH Y 6 .   ? -47.67058 -10.36706 6.41993   1.000 40.53879  ?  440 HOH A O    1 
HETATM 2857 O  O    . HOH Y 6 .   ? -58.012   -20.896   -24.795   1.000 40.05401  ?  441 HOH A O    1 
HETATM 2858 O  O    . HOH Y 6 .   ? -62.28071 -19.66141 -7.47440  1.000 59.11542  ?  442 HOH A O    1 
HETATM 2859 O  O    . HOH Y 6 .   ? -61.18862 -29.67709 -13.64415 1.000 34.69291  ?  443 HOH A O    1 
HETATM 2860 O  O    . HOH Y 6 .   ? -61.88265 -21.87097 -7.35162  1.000 48.13801  ?  444 HOH A O    1 
HETATM 2861 O  O    . HOH Y 6 .   ? -34.11833 -14.89900 3.18597   1.000 37.82472  ?  445 HOH A O    1 
HETATM 2862 O  O    . HOH Y 6 .   ? -60.08019 -22.71255 -18.80692 1.000 38.87819  ?  446 HOH A O    1 
HETATM 2863 O  O    . HOH Y 6 .   ? -52.93612 -14.15997 -8.04645  1.000 31.86684  ?  447 HOH A O    1 
HETATM 2864 O  O    . HOH Y 6 .   ? -35.46209 -16.62717 3.14918   1.000 44.24745  ?  448 HOH A O    1 
HETATM 2865 O  O    . HOH Y 6 .   ? -51.06675 -48.44490 -19.11158 1.000 43.78481  ?  449 HOH A O    1 
HETATM 2866 O  O    . HOH Y 6 .   ? -33.11267 -8.71408  -10.12421 1.000 58.58696  ?  450 HOH A O    1 
HETATM 2867 O  O    . HOH Y 6 .   ? -61.25536 -28.21284 1.67379   1.000 42.39696  ?  451 HOH A O    1 
HETATM 2868 O  O    . HOH Y 6 .   ? -47.00294 -34.72670 -25.54021 1.000 43.64520  ?  452 HOH A O    1 
HETATM 2869 O  O    . HOH Y 6 .   ? -70.645   -46.558   -20.163   1.000 46.35418  ?  453 HOH A O    1 
HETATM 2870 O  O    . HOH Y 6 .   ? -34.14834 -18.17124 1.64725   1.000 44.12756  ?  454 HOH A O    1 
HETATM 2871 O  O    . HOH Y 6 .   ? -67.38564 -41.04464 -26.32758 1.000 22.32915  ?  455 HOH A O    1 
HETATM 2872 O  O    . HOH Y 6 .   ? -41.352   -41.885   -2.121    1.000 23.20929  ?  456 HOH A O    1 
HETATM 2873 O  O    . HOH Y 6 .   ? -60.31899 -38.55142 -32.21451 1.000 30.36808  ?  457 HOH A O    1 
HETATM 2874 O  O    . HOH Y 6 .   ? -50.60514 -40.85911 -20.72618 1.000 32.58835  ?  458 HOH A O    1 
HETATM 2875 O  O    . HOH Y 6 .   ? -46.63729 -41.89241 -7.15650  1.000 33.81083  ?  459 HOH A O    1 
HETATM 2876 O  O    . HOH Y 6 .   ? -55.97091 -16.22571 -2.95638  1.000 43.24113  ?  460 HOH A O    1 
HETATM 2877 O  O    . HOH Y 6 .   ? -51.62360 -35.59445 -30.79176 1.000 42.36731  ?  461 HOH A O    1 
HETATM 2878 O  O    . HOH Y 6 .   ? -52.292   -17.544   10.896    1.000 49.84097  ?  462 HOH A O    1 
HETATM 2879 O  O    . HOH Y 6 .   ? -32.13366 -7.03872  -3.40414  1.000 54.65373  ?  463 HOH A O    1 
HETATM 2880 O  O    . HOH Y 6 .   ? -35.22604 -9.06710  -12.59915 1.000 40.40503  ?  464 HOH A O    1 
HETATM 2881 O  O    . HOH Y 6 .   ? -52.952   -35.560   -32.833   1.000 56.70580  ?  465 HOH A O    1 
HETATM 2882 O  O    . HOH Y 6 .   ? -68.49550 -29.92763 -22.56185 1.000 78.13434  ?  466 HOH A O    1 
HETATM 2883 O  O    . HOH Y 6 .   ? -37.37872 -24.38778 -10.64921 1.000 53.86974  ?  467 HOH A O    1 
HETATM 2884 O  O    . HOH Y 6 .   ? -55.390   -33.670   0.096     1.000 48.88101  ?  468 HOH A O    1 
HETATM 2885 O  O    . HOH Y 6 .   ? -62.01853 -22.17585 -21.14177 1.000 85.99125  ?  469 HOH A O    1 
HETATM 2886 O  O    . HOH Y 6 .   ? -50.34317 -45.99873 -22.41376 1.000 45.27515  ?  470 HOH A O    1 
HETATM 2887 O  O    . HOH Y 6 .   ? -46.43877 -38.86638 -7.13637  1.000 30.52434  ?  471 HOH A O    1 
HETATM 2888 O  O    . HOH Y 6 .   ? -37.25598 -24.65148 -7.91804  1.000 48.23707  ?  472 HOH A O    1 
HETATM 2889 O  O    . HOH Y 6 .   ? -38.47783 -20.38781 -11.92775 1.000 36.66171  ?  473 HOH A O    1 
HETATM 2890 O  O    . HOH Y 6 .   ? -31.74196 -10.82718 -6.02864  1.000 44.24476  ?  474 HOH A O    1 
HETATM 2891 O  O    . HOH Y 6 .   ? -53.25563 -3.13456  -2.63810  1.000 47.28002  ?  475 HOH A O    1 
HETATM 2892 O  O    . HOH Y 6 .   ? -70.20909 -43.84426 -22.86553 1.000 28.32379  ?  476 HOH A O    1 
HETATM 2893 O  O    . HOH Y 6 .   ? -54.36212 -3.11889  -0.77147  1.000 54.63980  ?  477 HOH A O    1 
HETATM 2894 O  O    . HOH Y 6 .   ? -41.854   -39.764   -4.018    1.000 40.64192  ?  478 HOH A O    1 
HETATM 2895 O  O    . HOH Y 6 .   ? -58.46955 -18.89536 3.14844   1.000 49.70365  ?  479 HOH A O    1 
HETATM 2896 O  O    . HOH Y 6 .   ? -40.10696 -40.10696 0.00000   0.50  24.07814  ?  480 HOH A O    1 
HETATM 2897 O  O    . HOH Y 6 .   ? -61.57316 -29.81184 0.00000   0.50  52.90655  ?  481 HOH A O    1 
HETATM 2898 O  O    . HOH Y 6 .   ? -41.37313 -29.63313 -5.34295  1.000 36.95563  ?  482 HOH A O    1 
HETATM 2899 O  O    . HOH Y 6 .   ? -46.66186 -37.46213 -25.91373 1.000 38.20270  ?  483 HOH A O    1 
HETATM 2900 O  O    . HOH Y 6 .   ? -39.64205 -18.19856 -14.55593 1.000 50.33630  ?  484 HOH A O    1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N  N   . GLN A 2   ? 0.50318 0.63156 0.65213 -0.01376 -0.07845 -0.02404 10  GLN A N   
2    C  CA  . GLN A 2   ? 0.48788 0.60855 0.63159 -0.01632 -0.08287 -0.01521 10  GLN A CA  
3    C  C   . GLN A 2   ? 0.48995 0.58282 0.60174 -0.02808 -0.07401 -0.02205 10  GLN A C   
4    O  O   . GLN A 2   ? 0.47745 0.57279 0.59246 -0.04115 -0.06719 -0.03116 10  GLN A O   
5    C  CB  . GLN A 2   ? 0.45909 0.58776 0.61301 -0.01553 -0.09938 -0.00553 10  GLN A CB  
6    C  CG  . GLN A 2   ? 0.43897 0.55877 0.57497 -0.00753 -0.10872 0.01331  10  GLN A CG  
7    C  CD  . GLN A 2   ? 0.38664 0.49679 0.51088 -0.01337 -0.10813 0.02869  10  GLN A CD  
8    O  OE1 . GLN A 2   ? 0.31746 0.43964 0.44238 -0.02318 -0.07982 0.04182  10  GLN A OE1 
9    N  NE2 . GLN A 2   ? 0.41468 0.50636 0.52685 -0.00695 -0.12148 0.02489  10  GLN A NE2 
17   N  N   . ASN A 3   ? 0.40024 0.45899 0.47046 -0.02736 -0.07808 -0.01568 11  ASN A N   
18   C  CA  . ASN A 3   ? 0.40030 0.41652 0.43350 -0.02474 -0.07415 -0.01947 11  ASN A CA  
19   C  C   . ASN A 3   ? 0.39983 0.37570 0.38853 -0.02139 -0.06712 -0.05030 11  ASN A C   
20   O  O   . ASN A 3   ? 0.41076 0.34912 0.38951 -0.00560 -0.04969 -0.05162 11  ASN A O   
21   C  CB  . ASN A 3   ? 0.40585 0.41557 0.44279 -0.01703 -0.06579 -0.00679 11  ASN A CB  
22   C  CG  . ASN A 3   ? 0.42238 0.41630 0.45012 -0.01978 -0.04891 -0.01659 11  ASN A CG  
23   O  OD1 . ASN A 3   ? 0.39915 0.39740 0.43065 -0.03048 -0.08809 -0.02923 11  ASN A OD1 
24   N  ND2 . ASN A 3   ? 0.44919 0.40417 0.45028 0.00115  -0.00235 -0.03886 11  ASN A ND2 
31   N  N   . PHE A 4   ? 0.47037 0.42925 0.42916 -0.02946 -0.05953 -0.06505 12  PHE A N   
32   C  CA  . PHE A 4   ? 0.46355 0.41715 0.40208 -0.02328 -0.06898 -0.06729 12  PHE A CA  
33   C  C   . PHE A 4   ? 0.46331 0.40312 0.41681 -0.01011 -0.06925 -0.08112 12  PHE A C   
34   O  O   . PHE A 4   ? 0.49101 0.40493 0.44334 -0.00376 -0.05649 -0.07082 12  PHE A O   
35   C  CB  . PHE A 4   ? 0.48122 0.43617 0.38725 -0.03010 -0.06414 -0.05905 12  PHE A CB  
36   C  CG  . PHE A 4   ? 0.48362 0.43838 0.35577 -0.03569 -0.06098 -0.05274 12  PHE A CG  
37   C  CD1 . PHE A 4   ? 0.49283 0.45628 0.35411 -0.03754 -0.05464 -0.04397 12  PHE A CD1 
38   C  CD2 . PHE A 4   ? 0.47701 0.43234 0.33431 -0.02861 -0.06703 -0.04054 12  PHE A CD2 
39   C  CE1 . PHE A 4   ? 0.47309 0.44760 0.32476 -0.03916 -0.06495 -0.02843 12  PHE A CE1 
40   C  CE2 . PHE A 4   ? 0.44012 0.41243 0.29131 -0.03408 -0.07304 -0.03168 12  PHE A CE2 
41   C  CZ  . PHE A 4   ? 0.45773 0.43384 0.31272 -0.03318 -0.06760 -0.03386 12  PHE A CZ  
51   N  N   . HIS A 5   ? 0.50072 0.45094 0.46858 0.00138  -0.07868 -0.09510 13  HIS A N   
52   C  CA  . HIS A 5   ? 0.48027 0.43705 0.45168 0.01230  -0.08772 -0.11146 13  HIS A CA  
53   C  C   . HIS A 5   ? 0.47287 0.40661 0.43899 0.01304  -0.07894 -0.11088 13  HIS A C   
54   O  O   . HIS A 5   ? 0.43424 0.37498 0.39410 0.00838  -0.06722 -0.12175 13  HIS A O   
55   C  CB  . HIS A 5   ? 0.48209 0.45385 0.45283 0.03154  -0.08764 -0.12270 13  HIS A CB  
56   C  CG  . HIS A 5   ? 0.46582 0.44580 0.44230 0.04469  -0.09797 -0.13991 13  HIS A CG  
57   N  ND1 . HIS A 5   ? 0.48955 0.47722 0.46220 0.05142  -0.09947 -0.13391 13  HIS A ND1 
58   C  CD2 . HIS A 5   ? 0.48478 0.47351 0.46444 0.04685  -0.09228 -0.13922 13  HIS A CD2 
59   C  CE1 . HIS A 5   ? 0.46287 0.45695 0.44395 0.05473  -0.09411 -0.14830 13  HIS A CE1 
60   N  NE2 . HIS A 5   ? 0.47195 0.46243 0.46241 0.06061  -0.08111 -0.14966 13  HIS A NE2 
68   N  N   . PRO A 6   ? 0.48129 0.36706 0.43866 0.00778  -0.07500 -0.12685 14  PRO A N   
69   C  CA  . PRO A 6   ? 0.48896 0.36529 0.44766 0.00635  -0.05921 -0.11917 14  PRO A CA  
70   C  C   . PRO A 6   ? 0.44038 0.31912 0.40285 0.01697  -0.02086 -0.11938 14  PRO A C   
71   O  O   . PRO A 6   ? 0.42007 0.28953 0.38491 0.02766  -0.01233 -0.11572 14  PRO A O   
72   C  CB  . PRO A 6   ? 0.51303 0.37157 0.46535 0.00054  -0.07738 -0.11940 14  PRO A CB  
73   C  CG  . PRO A 6   ? 0.51342 0.36148 0.45702 0.01051  -0.08152 -0.12795 14  PRO A CG  
74   C  CD  . PRO A 6   ? 0.50986 0.36954 0.45757 0.00792  -0.07881 -0.12301 14  PRO A CD  
82   N  N   . ASP A 7   ? 0.43993 0.33587 0.40107 0.01225  0.00770  -0.11505 15  ASP A N   
83   C  CA  . ASP A 7   ? 0.42197 0.33363 0.38657 0.02195  0.02118  -0.10337 15  ASP A CA  
84   C  C   . ASP A 7   ? 0.38262 0.33275 0.33760 0.01513  0.02946  -0.09250 15  ASP A C   
85   O  O   . ASP A 7   ? 0.36084 0.34409 0.30938 0.00801  0.00278  -0.09369 15  ASP A O   
86   C  CB  . ASP A 7   ? 0.44999 0.34863 0.42415 0.04669  0.04541  -0.09761 15  ASP A CB  
87   C  CG  . ASP A 7   ? 0.52498 0.41557 0.50602 0.06174  0.06912  -0.07119 15  ASP A CG  
88   O  OD1 . ASP A 7   ? 0.54514 0.41567 0.53785 0.06236  0.08538  -0.05690 15  ASP A OD1 
89   O  OD2 . ASP A 7   ? 0.53388 0.42259 0.49562 0.06773  0.07315  -0.07532 15  ASP A OD2 
94   N  N   . SER A 8   ? 0.39070 0.33213 0.32740 0.02447  0.03493  -0.07297 16  SER A N   
95   C  CA  . SER A 8   ? 0.36635 0.31940 0.29868 0.03519  0.02483  -0.05800 16  SER A CA  
96   C  C   . SER A 8   ? 0.34240 0.27790 0.29069 0.03523  0.00567  -0.05615 16  SER A C   
97   O  O   . SER A 8   ? 0.31622 0.24530 0.25582 0.03961  0.00012  -0.06640 16  SER A O   
98   C  CB  . SER A 8   ? 0.40973 0.36297 0.31963 0.04413  0.04721  -0.02781 16  SER A CB  
99   O  OG  . SER A 8   ? 0.42816 0.37250 0.31143 0.03096  0.06629  -0.01000 16  SER A OG  
105  N  N   . GLU A 9   ? 0.31477 0.24084 0.28115 0.02316  0.00624  -0.06555 17  GLU A N   
106  C  CA  . GLU A 9   ? 0.33927 0.26527 0.32931 0.01332  0.00320  -0.04837 17  GLU A CA  
107  C  C   . GLU A 9   ? 0.30437 0.22550 0.26465 0.01814  -0.00497 -0.03508 17  GLU A C   
108  O  O   . GLU A 9   ? 0.29695 0.22782 0.24494 0.00857  -0.00765 -0.01567 17  GLU A O   
109  C  CB  . GLU A 9   ? 0.37459 0.29945 0.40067 0.01244  0.02963  -0.05627 17  GLU A CB  
110  C  CG  . GLU A 9   ? 0.38565 0.29844 0.44286 0.01150  0.06041  -0.06785 17  GLU A CG  
111  C  CD  . GLU A 9   ? 0.42203 0.32030 0.50465 0.02503  0.07940  -0.07681 17  GLU A CD  
112  O  OE1 . GLU A 9   ? 0.48675 0.37238 0.56331 0.03365  0.09278  -0.06891 17  GLU A OE1 
113  O  OE2 . GLU A 9   ? 0.42107 0.32532 0.51932 0.01310  0.08877  -0.08038 17  GLU A OE2 
120  N  N   . ALA A 10  ? 0.29911 0.23836 0.27286 0.01986  -0.00266 -0.03822 18  ALA A N   
121  C  CA  . ALA A 10  ? 0.27517 0.22536 0.26994 0.02576  -0.00187 -0.05094 18  ALA A CA  
122  C  C   . ALA A 10  ? 0.28469 0.24736 0.25609 0.02471  0.01471  -0.02961 18  ALA A C   
123  O  O   . ALA A 10  ? 0.26939 0.25210 0.24769 0.04065  0.00699  -0.02347 18  ALA A O   
124  C  CB  . ALA A 10  ? 0.28303 0.22846 0.31075 0.04094  -0.00205 -0.05065 18  ALA A CB  
130  N  N   . ALA A 11  ? 0.28064 0.26008 0.24845 0.02622  0.01535  -0.03497 19  ALA A N   
131  C  CA  . ALA A 11  ? 0.26197 0.24646 0.22977 0.01725  0.02492  -0.03185 19  ALA A CA  
132  C  C   . ALA A 11  ? 0.25212 0.23819 0.21180 0.01284  0.00665  -0.02116 19  ALA A C   
133  O  O   . ALA A 11  ? 0.24656 0.26148 0.21654 -0.02058 -0.00166 -0.01890 19  ALA A O   
134  C  CB  . ALA A 11  ? 0.28911 0.27537 0.26677 0.00387  0.01993  -0.01439 19  ALA A CB  
140  N  N   . ILE A 12  ? 0.24397 0.21991 0.19244 0.00268  0.00588  -0.01681 20  ILE A N   
141  C  CA  . ILE A 12  ? 0.25746 0.22001 0.21351 0.00938  0.00064  -0.01211 20  ILE A CA  
142  C  C   . ILE A 12  ? 0.25164 0.19678 0.20622 0.01188  -0.01637 -0.00615 20  ILE A C   
143  O  O   . ILE A 12  ? 0.22883 0.18032 0.19853 0.00535  -0.00964 -0.00949 20  ILE A O   
144  C  CB  . ILE A 12  ? 0.25493 0.20233 0.18708 0.04154  -0.01236 -0.02543 20  ILE A CB  
145  C  CG1 . ILE A 12  ? 0.30013 0.26100 0.22834 0.03999  -0.01713 -0.00724 20  ILE A CG1 
146  C  CG2 . ILE A 12  ? 0.25436 0.21282 0.18355 0.03935  -0.01077 -0.04557 20  ILE A CG2 
147  C  CD1 . ILE A 12  ? 0.31757 0.29009 0.23590 0.03786  -0.03511 0.00613  20  ILE A CD1 
159  N  N   . ASN A 13  ? 0.23233 0.17977 0.18767 0.00414  0.00863  -0.00805 21  ASN A N   
160  C  CA  . ASN A 13  ? 0.22368 0.18551 0.19990 0.00558  -0.00624 0.00427  21  ASN A CA  
161  C  C   . ASN A 13  ? 0.23184 0.19532 0.20274 0.00947  -0.00410 -0.00189 21  ASN A C   
162  O  O   . ASN A 13  ? 0.22598 0.20551 0.20282 0.00347  0.00380  -0.00907 21  ASN A O   
163  C  CB  . ASN A 13  ? 0.22206 0.19061 0.22491 -0.00761 -0.00968 -0.00076 21  ASN A CB  
164  C  CG  . ASN A 13  ? 0.24504 0.22237 0.24778 -0.00278 -0.00638 -0.00993 21  ASN A CG  
165  O  OD1 . ASN A 13  ? 0.23580 0.22106 0.29209 -0.00947 0.01310  -0.02514 21  ASN A OD1 
166  N  ND2 . ASN A 13  ? 0.26579 0.23029 0.23854 -0.00999 -0.01314 -0.00809 21  ASN A ND2 
173  N  N   . ARG A 14  ? 0.24193 0.21963 0.22681 0.00554  -0.00058 -0.00168 22  ARG A N   
174  C  CA  . ARG A 14  ? 0.23730 0.22433 0.23241 0.01414  0.00647  -0.02422 22  ARG A CA  
175  C  C   . ARG A 14  ? 0.21637 0.20870 0.20777 0.00476  0.01585  -0.01469 22  ARG A C   
176  O  O   . ARG A 14  ? 0.22076 0.22527 0.21073 0.00837  0.01358  -0.00274 22  ARG A O   
177  C  CB  . ARG A 14  ? 0.27573 0.27766 0.25660 0.02556  -0.00215 -0.05182 22  ARG A CB  
178  C  CG  . ARG A 14  ? 0.32074 0.36671 0.32635 0.02802  0.00193  -0.07549 22  ARG A CG  
179  C  CD  . ARG A 14  ? 0.35560 0.44429 0.37182 0.05301  -0.00908 -0.11279 22  ARG A CD  
180  N  NE  . ARG A 14  ? 0.37347 0.49975 0.39423 0.05843  -0.00607 -0.15401 22  ARG A NE  
181  C  CZ  . ARG A 14  ? 0.38882 0.54928 0.42142 0.07133  -0.00540 -0.17821 22  ARG A CZ  
182  N  NH1 . ARG A 14  ? 0.41910 0.58125 0.46828 0.07116  -0.00141 -0.17744 22  ARG A NH1 
183  N  NH2 . ARG A 14  ? 0.39200 0.56813 0.42227 0.09187  0.00031  -0.19329 22  ARG A NH2 
197  N  N   . GLN A 15  ? 0.22712 0.19609 0.19506 0.01503  0.01632  -0.00721 23  GLN A N   
198  C  CA  . GLN A 15  ? 0.21346 0.18533 0.19713 0.02271  -0.00446 -0.00418 23  GLN A CA  
199  C  C   . GLN A 15  ? 0.20887 0.19266 0.20472 0.00653  -0.00453 -0.00197 23  GLN A C   
200  O  O   . GLN A 15  ? 0.21643 0.19544 0.22179 0.00779  -0.00733 -0.00441 23  GLN A O   
201  C  CB  . GLN A 15  ? 0.20683 0.20257 0.20652 0.03578  -0.01772 0.00879  23  GLN A CB  
202  C  CG  . GLN A 15  ? 0.23047 0.21385 0.20102 0.02710  -0.01625 0.01043  23  GLN A CG  
203  C  CD  . GLN A 15  ? 0.24752 0.22823 0.23864 0.01357  -0.00035 0.01715  23  GLN A CD  
204  O  OE1 . GLN A 15  ? 0.23779 0.23216 0.27528 -0.01863 0.05394  0.01811  23  GLN A OE1 
205  N  NE2 . GLN A 15  ? 0.24118 0.23981 0.23486 0.00056  -0.01032 0.03531  23  GLN A NE2 
214  N  N   . ILE A 16  ? 0.20362 0.19315 0.21565 0.01976  -0.00762 -0.00884 24  ILE A N   
215  C  CA  . ILE A 16  ? 0.18333 0.19499 0.21383 0.01492  -0.00469 -0.00104 24  ILE A CA  
216  C  C   . ILE A 16  ? 0.17949 0.15021 0.16739 0.02114  -0.01259 0.01768  24  ILE A C   
217  O  O   . ILE A 16  ? 0.22144 0.18349 0.20403 -0.00102 -0.00366 -0.00322 24  ILE A O   
218  C  CB  . ILE A 16  ? 0.15884 0.21123 0.19995 -0.00213 0.02068  -0.01595 24  ILE A CB  
219  C  CG1 . ILE A 16  ? 0.18056 0.21910 0.20870 0.01870  0.01291  -0.01713 24  ILE A CG1 
220  C  CG2 . ILE A 16  ? 0.14873 0.22867 0.21230 -0.01174 0.03640  -0.02612 24  ILE A CG2 
221  C  CD1 . ILE A 16  ? 0.20227 0.23336 0.23076 0.01278  0.02185  -0.02061 24  ILE A CD1 
233  N  N   . ASN A 17  ? 0.19247 0.17391 0.20702 0.01984  0.01271  0.01028  25  ASN A N   
234  C  CA  . ASN A 17  ? 0.21240 0.19118 0.20300 -0.00002 0.01765  -0.00482 25  ASN A CA  
235  C  C   . ASN A 17  ? 0.22608 0.22164 0.22496 0.00041  0.01543  -0.01054 25  ASN A C   
236  O  O   . ASN A 17  ? 0.21289 0.23218 0.19915 0.01142  0.01148  -0.00085 25  ASN A O   
237  C  CB  . ASN A 17  ? 0.20957 0.20534 0.20135 -0.00264 -0.01004 0.00199  25  ASN A CB  
238  C  CG  . ASN A 17  ? 0.19509 0.21743 0.17516 0.00544  -0.00523 0.02986  25  ASN A CG  
239  O  OD1 . ASN A 17  ? 0.22646 0.25658 0.21586 0.03264  0.00474  -0.00174 25  ASN A OD1 
240  N  ND2 . ASN A 17  ? 0.19022 0.23693 0.15336 -0.00483 -0.02875 0.03792  25  ASN A ND2 
247  N  N   . LEU A 18  ? 0.21619 0.18654 0.21487 -0.01080 -0.01597 -0.01696 26  LEU A N   
248  C  CA  . LEU A 18  ? 0.22619 0.21715 0.20936 0.00167  -0.01375 -0.00654 26  LEU A CA  
249  C  C   . LEU A 18  ? 0.20187 0.19666 0.17973 0.00219  -0.00892 0.00048  26  LEU A C   
250  O  O   . LEU A 18  ? 0.20717 0.19731 0.18527 0.00901  0.00510  -0.00854 26  LEU A O   
251  C  CB  . LEU A 18  ? 0.22345 0.23464 0.20317 -0.00705 0.00718  -0.00694 26  LEU A CB  
252  C  CG  . LEU A 18  ? 0.24311 0.25915 0.21093 0.00144  0.01771  0.00181  26  LEU A CG  
253  C  CD1 . LEU A 18  ? 0.26896 0.28699 0.21876 -0.00401 0.00746  0.01567  26  LEU A CD1 
254  C  CD2 . LEU A 18  ? 0.25584 0.25594 0.23208 0.02261  0.00079  -0.01049 26  LEU A CD2 
266  N  N   . GLU A 19  ? 0.19272 0.20210 0.16705 0.00771  -0.00816 -0.00466 27  GLU A N   
267  C  CA  . GLU A 19  ? 0.20391 0.19944 0.17060 0.00638  -0.01001 -0.00949 27  GLU A CA  
268  C  C   . GLU A 19  ? 0.21495 0.17732 0.17550 -0.00476 -0.00319 0.01840  27  GLU A C   
269  O  O   . GLU A 19  ? 0.24367 0.18948 0.19186 0.00682  -0.01417 -0.00500 27  GLU A O   
270  C  CB  . GLU A 19  ? 0.19311 0.20488 0.17307 0.02623  -0.02211 -0.01237 27  GLU A CB  
271  C  CG  . GLU A 19  ? 0.20847 0.23935 0.19699 0.01907  -0.02859 -0.02072 27  GLU A CG  
272  C  CD  . GLU A 19  ? 0.25996 0.25439 0.23810 0.02796  -0.00799 -0.02584 27  GLU A CD  
273  O  OE1 . GLU A 19  ? 0.28135 0.23732 0.24626 -0.01414 0.00778  -0.01352 27  GLU A OE1 
274  O  OE2 . GLU A 19  ? 0.28079 0.22148 0.23015 0.02746  -0.00940 -0.03645 27  GLU A OE2 
281  N  N   . LEU A 20  ? 0.22453 0.17638 0.17821 0.00645  0.01537  0.02534  28  LEU A N   
282  C  CA  . LEU A 20  ? 0.21641 0.19240 0.16533 0.00471  -0.00606 0.01300  28  LEU A CA  
283  C  C   . LEU A 20  ? 0.21972 0.18231 0.20053 0.01752  0.00810  -0.00649 28  LEU A C   
284  O  O   . LEU A 20  ? 0.22642 0.19447 0.21233 0.02905  -0.01579 0.00774  28  LEU A O   
285  C  CB  . LEU A 20  ? 0.22313 0.21432 0.17940 0.00216  -0.00334 0.02119  28  LEU A CB  
286  C  CG  . LEU A 20  ? 0.25006 0.24502 0.20571 -0.01348 -0.01472 0.02564  28  LEU A CG  
287  C  CD1 . LEU A 20  ? 0.25583 0.26602 0.22356 -0.03115 -0.01736 0.04091  28  LEU A CD1 
288  C  CD2 . LEU A 20  ? 0.24568 0.26556 0.21980 -0.00783 -0.00457 0.02666  28  LEU A CD2 
300  N  N   . TYR A 21  ? 0.19421 0.16522 0.21276 0.00851  0.00793  -0.00421 29  TYR A N   
301  C  CA  . TYR A 21  ? 0.21039 0.15270 0.20228 0.02588  -0.00551 -0.00086 29  TYR A CA  
302  C  C   . TYR A 21  ? 0.21298 0.17875 0.20488 -0.00091 0.00459  -0.01153 29  TYR A C   
303  O  O   . TYR A 21  ? 0.20220 0.18298 0.20674 -0.00357 0.01923  -0.01927 29  TYR A O   
304  C  CB  . TYR A 21  ? 0.24026 0.17389 0.20814 0.02932  0.00126  -0.00001 29  TYR A CB  
305  C  CG  . TYR A 21  ? 0.21183 0.17279 0.19821 0.02934  0.00466  0.01004  29  TYR A CG  
306  C  CD1 . TYR A 21  ? 0.21949 0.20023 0.24383 0.02704  -0.00609 0.00238  29  TYR A CD1 
307  C  CD2 . TYR A 21  ? 0.25095 0.20097 0.22674 0.01264  0.00579  0.00954  29  TYR A CD2 
308  C  CE1 . TYR A 21  ? 0.24324 0.21853 0.26845 -0.00532 -0.00314 -0.01148 29  TYR A CE1 
309  C  CE2 . TYR A 21  ? 0.25517 0.21158 0.25931 -0.00731 0.00905  -0.00312 29  TYR A CE2 
310  C  CZ  . TYR A 21  ? 0.23080 0.21215 0.28339 -0.01100 -0.01479 -0.00333 29  TYR A CZ  
311  O  OH  . TYR A 21  ? 0.22584 0.25518 0.32581 -0.03156 -0.01444 0.00597  29  TYR A OH  
321  N  N   . ALA A 22  ? 0.22605 0.17814 0.19484 -0.00297 -0.01687 -0.01357 30  ALA A N   
322  C  CA  . ALA A 22  ? 0.22696 0.19199 0.20313 -0.00653 -0.00808 0.00977  30  ALA A CA  
323  C  C   . ALA A 22  ? 0.21019 0.18453 0.18278 -0.00952 -0.02046 -0.01017 30  ALA A C   
324  O  O   . ALA A 22  ? 0.20576 0.19908 0.18275 -0.01481 -0.02488 -0.00454 30  ALA A O   
325  C  CB  . ALA A 22  ? 0.23389 0.20337 0.21270 0.00104  -0.00098 0.02053  30  ALA A CB  
331  N  N   . SER A 23  ? 0.21721 0.16992 0.18966 0.00106  -0.00491 0.00486  31  SER A N   
332  C  CA  . SER A 23  ? 0.21049 0.14778 0.18775 0.01641  -0.01211 0.00858  31  SER A CA  
333  C  C   . SER A 23  ? 0.21666 0.16008 0.18827 0.02545  -0.01198 -0.00320 31  SER A C   
334  O  O   . SER A 23  ? 0.21695 0.18676 0.20274 0.02135  0.00053  -0.00937 31  SER A O   
335  C  CB  . SER A 23  ? 0.20940 0.16603 0.22965 0.03111  0.00192  -0.00568 31  SER A CB  
336  O  OG  . SER A 23  ? 0.23507 0.19761 0.28013 0.01745  0.02475  -0.02674 31  SER A OG  
342  N  N   . TYR A 24  ? 0.22818 0.17010 0.19612 0.02954  0.00793  0.00728  32  TYR A N   
343  C  CA  . TYR A 24  ? 0.22485 0.15326 0.19393 0.01882  -0.01694 0.00841  32  TYR A CA  
344  C  C   . TYR A 24  ? 0.21005 0.16463 0.18298 0.01869  -0.01368 0.01385  32  TYR A C   
345  O  O   . TYR A 24  ? 0.23135 0.17681 0.20066 0.00686  -0.02560 0.01550  32  TYR A O   
346  C  CB  . TYR A 24  ? 0.20935 0.16783 0.18365 0.02177  0.00014  0.00077  32  TYR A CB  
347  C  CG  . TYR A 24  ? 0.20824 0.18970 0.18128 -0.00011 0.00138  -0.01178 32  TYR A CG  
348  C  CD1 . TYR A 24  ? 0.22648 0.18773 0.17877 0.01170  0.00104  -0.00710 32  TYR A CD1 
349  C  CD2 . TYR A 24  ? 0.19598 0.19591 0.17242 0.01096  -0.00021 -0.01311 32  TYR A CD2 
350  C  CE1 . TYR A 24  ? 0.23201 0.19125 0.18106 0.01917  0.01087  -0.00557 32  TYR A CE1 
351  C  CE2 . TYR A 24  ? 0.20441 0.18471 0.16743 0.01096  0.00309  0.00206  32  TYR A CE2 
352  C  CZ  . TYR A 24  ? 0.21673 0.18945 0.17152 0.01542  0.01193  -0.01393 32  TYR A CZ  
353  O  OH  . TYR A 24  ? 0.24833 0.19107 0.18996 0.00465  0.02358  -0.01971 32  TYR A OH  
363  N  N   . VAL A 25  ? 0.20473 0.16070 0.19436 0.02540  -0.01142 0.00246  33  VAL A N   
364  C  CA  . VAL A 25  ? 0.20562 0.20215 0.22013 0.00619  -0.01689 0.00460  33  VAL A CA  
365  C  C   . VAL A 25  ? 0.22862 0.21124 0.21665 -0.00457 -0.00197 0.00145  33  VAL A C   
366  O  O   . VAL A 25  ? 0.20785 0.18761 0.21673 0.00601  0.01180  -0.00235 33  VAL A O   
367  C  CB  . VAL A 25  ? 0.22330 0.19936 0.22234 0.00915  0.01409  -0.01277 33  VAL A CB  
368  C  CG1 . VAL A 25  ? 0.22972 0.23303 0.20569 0.00231  0.02397  -0.01326 33  VAL A CG1 
369  C  CG2 . VAL A 25  ? 0.21113 0.16579 0.21412 0.03268  0.01279  -0.02611 33  VAL A CG2 
379  N  N   . TYR A 26  ? 0.20801 0.18693 0.18047 0.00975  -0.00593 -0.02005 34  TYR A N   
380  C  CA  . TYR A 26  ? 0.22138 0.20283 0.19468 0.00799  -0.00933 -0.00791 34  TYR A CA  
381  C  C   . TYR A 26  ? 0.21868 0.17549 0.17611 0.00385  -0.02612 -0.00837 34  TYR A C   
382  O  O   . TYR A 26  ? 0.23308 0.18099 0.18129 -0.00262 -0.02438 -0.01600 34  TYR A O   
383  C  CB  . TYR A 26  ? 0.21909 0.19865 0.18682 -0.00429 -0.03155 0.00266  34  TYR A CB  
384  C  CG  . TYR A 26  ? 0.24276 0.24080 0.19646 -0.02853 -0.01491 0.00001  34  TYR A CG  
385  C  CD1 . TYR A 26  ? 0.27269 0.31700 0.21045 -0.05750 0.00068  -0.00090 34  TYR A CD1 
386  C  CD2 . TYR A 26  ? 0.24275 0.26029 0.20890 -0.01377 -0.02316 -0.00171 34  TYR A CD2 
387  C  CE1 . TYR A 26  ? 0.28995 0.34746 0.21475 -0.07519 -0.01376 0.00999  34  TYR A CE1 
388  C  CE2 . TYR A 26  ? 0.25154 0.29660 0.20072 -0.02563 -0.02206 -0.00398 34  TYR A CE2 
389  C  CZ  . TYR A 26  ? 0.28736 0.35663 0.19451 -0.06049 -0.00839 0.00723  34  TYR A CZ  
390  O  OH  . TYR A 26  ? 0.34721 0.44560 0.24714 -0.08248 -0.01028 0.04052  34  TYR A OH  
400  N  N   . LEU A 27  ? 0.23850 0.18041 0.20362 0.00454  -0.00666 -0.00372 35  LEU A N   
401  C  CA  . LEU A 27  ? 0.25626 0.17434 0.19802 0.00172  -0.00540 0.00294  35  LEU A CA  
402  C  C   . LEU A 27  ? 0.25491 0.17043 0.19162 0.00735  -0.02046 0.00019  35  LEU A C   
403  O  O   . LEU A 27  ? 0.25290 0.19104 0.21027 0.00964  -0.03673 0.00577  35  LEU A O   
404  C  CB  . LEU A 27  ? 0.28675 0.20760 0.20733 -0.02756 0.02062  0.01025  35  LEU A CB  
405  C  CG  . LEU A 27  ? 0.30258 0.21812 0.19996 -0.03150 0.03674  0.00639  35  LEU A CG  
406  C  CD1 . LEU A 27  ? 0.32305 0.23923 0.20976 -0.03957 0.05482  -0.01366 35  LEU A CD1 
407  C  CD2 . LEU A 27  ? 0.31670 0.22735 0.19578 -0.04689 0.04721  0.00025  35  LEU A CD2 
419  N  N   . SER A 28  ? 0.24599 0.16620 0.17712 0.01911  -0.01878 -0.01010 36  SER A N   
420  C  CA  . SER A 28  ? 0.23453 0.17694 0.18269 0.00174  -0.02236 -0.00299 36  SER A CA  
421  C  C   . SER A 28  ? 0.24068 0.17278 0.19467 -0.00824 -0.01723 -0.00892 36  SER A C   
422  O  O   . SER A 28  ? 0.25498 0.17206 0.21043 -0.01014 0.01027  -0.01017 36  SER A O   
423  C  CB  . SER A 28  ? 0.21594 0.17281 0.17643 0.00691  -0.04117 -0.02425 36  SER A CB  
424  O  OG  . SER A 28  ? 0.25224 0.21286 0.23861 -0.00585 -0.03218 0.00436  36  SER A OG  
430  N  N   . MET A 29  ? 0.24195 0.19201 0.20050 -0.01349 -0.02298 -0.00213 37  MET A N   
431  C  CA  . MET A 29  ? 0.22376 0.18437 0.20722 -0.00357 -0.02189 0.00831  37  MET A CA  
432  C  C   . MET A 29  ? 0.22224 0.15941 0.20559 -0.01151 -0.03429 0.00043  37  MET A C   
433  O  O   . MET A 29  ? 0.24284 0.17963 0.21086 -0.03882 -0.01467 0.00334  37  MET A O   
434  C  CB  . MET A 29  ? 0.23067 0.19587 0.22754 0.01036  -0.01734 0.01472  37  MET A CB  
435  C  CG  . MET A 29  ? 0.22657 0.19329 0.19831 0.01755  -0.02397 0.02303  37  MET A CG  
436  S  SD  . MET A 29  ? 0.24871 0.22608 0.23136 0.01008  -0.00023 0.01874  37  MET A SD  
437  C  CE  . MET A 29  ? 0.24865 0.21302 0.24265 0.00520  0.01211  0.01348  37  MET A CE  
447  N  N   . ALA A 30  ? 0.21624 0.15461 0.19852 -0.00005 -0.00127 -0.01381 38  ALA A N   
448  C  CA  . ALA A 30  ? 0.22477 0.15963 0.19023 0.00155  -0.02334 -0.00933 38  ALA A CA  
449  C  C   . ALA A 30  ? 0.24658 0.17339 0.20792 -0.00826 -0.02017 -0.00454 38  ALA A C   
450  O  O   . ALA A 30  ? 0.27572 0.18682 0.21789 -0.01105 -0.00434 0.00050  38  ALA A O   
451  C  CB  . ALA A 30  ? 0.22944 0.16529 0.20217 0.02235  -0.04552 0.00548  38  ALA A CB  
457  N  N   . TYR A 31  ? 0.23144 0.15845 0.20206 -0.01251 0.00588  -0.00790 39  TYR A N   
458  C  CA  . TYR A 31  ? 0.23273 0.19922 0.20999 0.00162  -0.00351 -0.00548 39  TYR A CA  
459  C  C   . TYR A 31  ? 0.23727 0.23049 0.20311 -0.01234 -0.01058 -0.01874 39  TYR A C   
460  O  O   . TYR A 31  ? 0.27788 0.30816 0.24044 -0.05185 0.00421  -0.02137 39  TYR A O   
461  C  CB  . TYR A 31  ? 0.23046 0.22253 0.21263 -0.01361 0.01560  0.00389  39  TYR A CB  
462  C  CG  . TYR A 31  ? 0.22999 0.21846 0.20544 0.00025  0.03400  -0.00896 39  TYR A CG  
463  C  CD1 . TYR A 31  ? 0.21937 0.20482 0.22846 -0.01003 0.04042  0.01486  39  TYR A CD1 
464  C  CD2 . TYR A 31  ? 0.23721 0.24082 0.20719 0.00035  0.03603  -0.01519 39  TYR A CD2 
465  C  CE1 . TYR A 31  ? 0.23530 0.23571 0.24743 -0.02893 0.03246  -0.00281 39  TYR A CE1 
466  C  CE2 . TYR A 31  ? 0.25998 0.27984 0.24944 -0.00440 0.03753  -0.01596 39  TYR A CE2 
467  C  CZ  . TYR A 31  ? 0.25296 0.27520 0.26311 -0.02389 0.03546  -0.01472 39  TYR A CZ  
468  O  OH  . TYR A 31  ? 0.28623 0.30479 0.30020 -0.03187 0.04470  -0.01244 39  TYR A OH  
478  N  N   . TYR A 32  ? 0.19262 0.19453 0.18113 -0.00205 -0.00246 -0.01086 40  TYR A N   
479  C  CA  . TYR A 32  ? 0.21554 0.19454 0.20100 0.00952  -0.00455 -0.01745 40  TYR A CA  
480  C  C   . TYR A 32  ? 0.21557 0.21058 0.19553 -0.00925 -0.00262 -0.02280 40  TYR A C   
481  O  O   . TYR A 32  ? 0.21981 0.23088 0.19908 -0.01313 -0.03071 -0.01776 40  TYR A O   
482  C  CB  . TYR A 32  ? 0.24263 0.21844 0.22633 -0.00059 -0.01686 -0.01882 40  TYR A CB  
483  C  CG  . TYR A 32  ? 0.27046 0.27562 0.28538 -0.01778 -0.00269 -0.01971 40  TYR A CG  
484  C  CD1 . TYR A 32  ? 0.26218 0.29907 0.30754 -0.02591 -0.00380 -0.02053 40  TYR A CD1 
485  C  CD2 . TYR A 32  ? 0.24765 0.26733 0.28637 -0.04574 0.00739  -0.04474 40  TYR A CD2 
486  C  CE1 . TYR A 32  ? 0.26298 0.30964 0.31572 -0.03453 -0.00267 -0.04377 40  TYR A CE1 
487  C  CE2 . TYR A 32  ? 0.25190 0.28185 0.29792 -0.04943 0.01519  -0.06859 40  TYR A CE2 
488  C  CZ  . TYR A 32  ? 0.24490 0.29500 0.29839 -0.06088 0.00980  -0.06541 40  TYR A CZ  
489  O  OH  . TYR A 32  ? 0.28407 0.32694 0.32915 -0.09437 0.00736  -0.06600 40  TYR A OH  
499  N  N   . PHE A 33  ? 0.24699 0.21477 0.21478 -0.00154 0.00135  -0.01061 41  PHE A N   
500  C  CA  . PHE A 33  ? 0.25783 0.17657 0.18887 0.00130  0.00802  0.01186  41  PHE A CA  
501  C  C   . PHE A 33  ? 0.26576 0.19068 0.21202 0.00057  0.00591  -0.00124 41  PHE A C   
502  O  O   . PHE A 33  ? 0.25685 0.20295 0.22048 -0.02061 -0.00563 0.00088  41  PHE A O   
503  C  CB  . PHE A 33  ? 0.27302 0.17690 0.18819 0.00037  0.00773  0.02607  41  PHE A CB  
504  C  CG  . PHE A 33  ? 0.29136 0.17423 0.18762 -0.00230 0.02650  0.01181  41  PHE A CG  
505  C  CD1 . PHE A 33  ? 0.30447 0.20680 0.19088 -0.00766 0.03368  0.00888  41  PHE A CD1 
506  C  CD2 . PHE A 33  ? 0.31881 0.18665 0.20633 -0.01049 0.01982  0.01133  41  PHE A CD2 
507  C  CE1 . PHE A 33  ? 0.31174 0.20331 0.18055 -0.01592 0.04822  -0.02696 41  PHE A CE1 
508  C  CE2 . PHE A 33  ? 0.33955 0.21108 0.22381 -0.01658 0.03144  -0.00387 41  PHE A CE2 
509  C  CZ  . PHE A 33  ? 0.30478 0.18199 0.19064 -0.01843 0.05613  -0.03750 41  PHE A CZ  
519  N  N   . SER A 34  ? 0.25311 0.18942 0.19109 0.00244  0.01550  -0.00540 42  SER A N   
520  C  CA  . SER A 34  ? 0.26707 0.22492 0.21663 -0.02708 0.01656  -0.01730 42  SER A CA  
521  C  C   . SER A 34  ? 0.27689 0.24613 0.23333 -0.02886 0.00273  -0.00976 42  SER A C   
522  O  O   . SER A 34  ? 0.27569 0.26236 0.23399 -0.01112 0.00812  -0.00085 42  SER A O   
523  C  CB  . SER A 34  ? 0.27740 0.23841 0.23394 -0.05698 0.01733  -0.03432 42  SER A CB  
524  O  OG  . SER A 34  ? 0.30849 0.28249 0.27100 -0.07403 0.01270  -0.02233 42  SER A OG  
530  N  N   . ARG A 35  ? 0.25253 0.19841 0.18260 -0.01885 -0.01599 -0.02884 43  ARG A N   
531  C  CA  . ARG A 35  ? 0.28342 0.21380 0.21289 -0.01053 -0.02913 -0.01098 43  ARG A CA  
532  C  C   . ARG A 35  ? 0.29230 0.25038 0.22889 -0.00988 -0.01123 -0.01350 43  ARG A C   
533  O  O   . ARG A 35  ? 0.27473 0.24178 0.19717 -0.00124 -0.00612 -0.00148 43  ARG A O   
534  C  CB  . ARG A 35  ? 0.30747 0.20160 0.24378 -0.00190 -0.04673 -0.01255 43  ARG A CB  
535  C  CG  . ARG A 35  ? 0.30842 0.18482 0.25723 0.01258  -0.08150 -0.01235 43  ARG A CG  
536  C  CD  . ARG A 35  ? 0.32866 0.24150 0.32777 0.02823  -0.11722 -0.01010 43  ARG A CD  
537  N  NE  . ARG A 35  ? 0.41429 0.32567 0.46796 0.05049  -0.11803 -0.04422 43  ARG A NE  
538  C  CZ  . ARG A 35  ? 0.43507 0.38146 0.53734 0.07383  -0.14813 -0.08105 43  ARG A CZ  
539  N  NH1 . ARG A 35  ? 0.43558 0.36799 0.54747 0.09043  -0.14003 -0.07228 43  ARG A NH1 
540  N  NH2 . ARG A 35  ? 0.48315 0.43885 0.59692 0.07237  -0.15326 -0.10866 43  ARG A NH2 
554  N  N   . ASP A 36  ? 0.29813 0.26463 0.22833 -0.02562 -0.00068 -0.03215 44  ASP A N   
555  C  CA  . ASP A 36  ? 0.29852 0.29288 0.24688 -0.05047 -0.02096 -0.02517 44  ASP A CA  
556  C  C   . ASP A 36  ? 0.31060 0.25534 0.26262 -0.05850 -0.01860 -0.03150 44  ASP A C   
557  O  O   . ASP A 36  ? 0.34705 0.26329 0.31718 -0.07426 0.00213  -0.05683 44  ASP A O   
558  C  CB  . ASP A 36  ? 0.33800 0.38069 0.28509 -0.06132 -0.01266 0.01569  44  ASP A CB  
559  C  CG  . ASP A 36  ? 0.39208 0.46203 0.32691 -0.05609 -0.02987 0.06177  44  ASP A CG  
560  O  OD1 . ASP A 36  ? 0.42205 0.46972 0.36782 -0.05540 -0.02286 0.04543  44  ASP A OD1 
561  O  OD2 . ASP A 36  ? 0.41997 0.54055 0.36247 -0.03268 -0.06504 0.10239  44  ASP A OD2 
566  N  N   . ASP A 37  ? 0.28185 0.24401 0.25886 -0.04494 -0.00751 -0.00526 45  ASP A N   
567  C  CA  . ASP A 37  ? 0.27043 0.22869 0.25884 -0.03427 -0.02454 0.00397  45  ASP A CA  
568  C  C   . ASP A 37  ? 0.28429 0.26083 0.25830 -0.01710 -0.01734 -0.00624 45  ASP A C   
569  O  O   . ASP A 37  ? 0.27883 0.27132 0.23596 -0.00836 -0.03603 0.01024  45  ASP A O   
570  C  CB  . ASP A 37  ? 0.30359 0.26832 0.30618 0.00533  -0.04098 0.02276  45  ASP A CB  
571  C  CG  . ASP A 37  ? 0.30144 0.25780 0.32112 0.05402  -0.05710 0.04253  45  ASP A CG  
572  O  OD1 . ASP A 37  ? 0.35092 0.29538 0.37054 0.02300  -0.02514 0.03238  45  ASP A OD1 
573  O  OD2 . ASP A 37  ? 0.33719 0.32299 0.40347 0.07597  -0.06863 0.03150  45  ASP A OD2 
578  N  N   . VAL A 38  ? 0.25052 0.22268 0.20245 -0.01999 -0.02611 -0.00605 46  VAL A N   
579  C  CA  . VAL A 38  ? 0.23066 0.22019 0.18816 -0.02473 -0.02331 0.00970  46  VAL A CA  
580  C  C   . VAL A 38  ? 0.26526 0.22986 0.22025 -0.01686 -0.00690 0.00671  46  VAL A C   
581  O  O   . VAL A 38  ? 0.27320 0.23081 0.22684 -0.02508 -0.02788 0.00061  46  VAL A O   
582  C  CB  . VAL A 38  ? 0.25150 0.23068 0.20971 -0.00528 -0.01929 0.00493  46  VAL A CB  
583  C  CG1 . VAL A 38  ? 0.25497 0.24411 0.21447 0.00735  -0.00757 -0.01088 46  VAL A CG1 
584  C  CG2 . VAL A 38  ? 0.25055 0.23619 0.20777 -0.02312 -0.00563 0.01685  46  VAL A CG2 
594  N  N   . ALA A 39  ? 0.26771 0.23027 0.22787 0.00394  -0.00190 0.00018  47  ALA A N   
595  C  CA  . ALA A 39  ? 0.28019 0.21705 0.21345 -0.00117 0.00275  0.00535  47  ALA A CA  
596  C  C   . ALA A 39  ? 0.28356 0.18992 0.18208 -0.01147 -0.00467 -0.00145 47  ALA A C   
597  O  O   . ALA A 39  ? 0.29468 0.22587 0.21578 -0.03273 -0.01806 -0.02882 47  ALA A O   
598  C  CB  . ALA A 39  ? 0.28460 0.25510 0.22455 -0.01890 0.00228  0.01832  47  ALA A CB  
604  N  N   . LEU A 40  ? 0.27074 0.18136 0.17454 0.00821  0.00117  -0.00572 48  LEU A N   
605  C  CA  . LEU A 40  ? 0.25041 0.19617 0.18743 0.00400  0.00208  -0.00612 48  LEU A CA  
606  C  C   . LEU A 40  ? 0.25187 0.19146 0.19450 0.00193  -0.00209 -0.01257 48  LEU A C   
607  O  O   . LEU A 40  ? 0.27323 0.20526 0.20827 -0.01058 -0.01855 -0.00858 48  LEU A O   
608  C  CB  . LEU A 40  ? 0.25139 0.24556 0.21650 -0.01586 -0.00691 -0.01012 48  LEU A CB  
609  C  CG  . LEU A 40  ? 0.25055 0.26355 0.23165 -0.03120 -0.02713 -0.00913 48  LEU A CG  
610  C  CD1 . LEU A 40  ? 0.26278 0.29296 0.28773 -0.02469 -0.01767 0.00041  48  LEU A CD1 
611  C  CD2 . LEU A 40  ? 0.24611 0.26241 0.22390 -0.05339 -0.03918 -0.03061 48  LEU A CD2 
623  N  N   . ASN A 41  ? 0.24425 0.20757 0.23384 0.01210  0.01276  -0.00713 49  ASN A N   
624  C  CA  . ASN A 41  ? 0.26426 0.21147 0.23341 -0.00519 0.01299  -0.01186 49  ASN A CA  
625  C  C   . ASN A 41  ? 0.25180 0.19220 0.22539 -0.01653 0.01164  -0.01138 49  ASN A C   
626  O  O   . ASN A 41  ? 0.25775 0.22310 0.24552 -0.00849 0.00788  -0.01006 49  ASN A O   
627  C  CB  . ASN A 41  ? 0.34100 0.28945 0.27337 -0.00865 0.00146  -0.02629 49  ASN A CB  
628  C  CG  . ASN A 41  ? 0.46585 0.40096 0.35716 -0.00186 -0.00415 -0.03993 49  ASN A CG  
629  O  OD1 . ASN A 41  ? 0.49623 0.43475 0.36834 -0.01420 -0.01569 -0.02493 49  ASN A OD1 
630  N  ND2 . ASN A 41  ? 0.50408 0.43182 0.36525 0.00344  -0.00290 -0.06264 49  ASN A ND2 
637  N  N   . ASN A 42  ? 0.24733 0.19160 0.22145 -0.01732 0.01373  -0.02288 50  ASN A N   
638  C  CA  . ASN A 42  ? 0.25601 0.20199 0.22884 -0.01039 0.00764  -0.01497 50  ASN A CA  
639  C  C   . ASN A 42  ? 0.25186 0.19029 0.22684 -0.00231 0.00194  -0.00528 50  ASN A C   
640  O  O   . ASN A 42  ? 0.25564 0.19632 0.22476 0.00102  -0.00081 -0.00113 50  ASN A O   
641  C  CB  . ASN A 42  ? 0.23809 0.19846 0.22590 -0.03191 0.00551  -0.01922 50  ASN A CB  
642  C  CG  . ASN A 42  ? 0.25679 0.24152 0.28596 -0.03158 0.03651  -0.01582 50  ASN A CG  
643  O  OD1 . ASN A 42  ? 0.25878 0.26839 0.32424 -0.00755 0.05279  -0.00923 50  ASN A OD1 
644  N  ND2 . ASN A 42  ? 0.31391 0.28808 0.33434 -0.01566 0.05927  -0.02635 50  ASN A ND2 
651  N  N   . PHE A 43  ? 0.22361 0.17356 0.21271 -0.01339 -0.00246 -0.02886 51  PHE A N   
652  C  CA  . PHE A 43  ? 0.22844 0.18974 0.19561 -0.01363 -0.01228 -0.02750 51  PHE A CA  
653  C  C   . PHE A 43  ? 0.23880 0.17742 0.17807 -0.00901 0.00514  -0.03026 51  PHE A C   
654  O  O   . PHE A 43  ? 0.23783 0.18508 0.18210 -0.00350 -0.01139 -0.03283 51  PHE A O   
655  C  CB  . PHE A 43  ? 0.22989 0.22329 0.21180 -0.01686 -0.00556 -0.01668 51  PHE A CB  
656  C  CG  . PHE A 43  ? 0.23487 0.20921 0.21053 -0.01699 -0.00299 -0.00787 51  PHE A CG  
657  C  CD1 . PHE A 43  ? 0.23855 0.21902 0.20766 -0.01416 0.01033  -0.00564 51  PHE A CD1 
658  C  CD2 . PHE A 43  ? 0.24054 0.20894 0.24585 -0.00771 0.00546  0.00386  51  PHE A CD2 
659  C  CE1 . PHE A 43  ? 0.24024 0.19503 0.19836 -0.00006 0.00654  0.00529  51  PHE A CE1 
660  C  CE2 . PHE A 43  ? 0.23094 0.20911 0.22672 0.01971  -0.00324 0.00955  51  PHE A CE2 
661  C  CZ  . PHE A 43  ? 0.23191 0.20663 0.21689 0.01094  0.00331  0.00805  51  PHE A CZ  
671  N  N   . SER A 44  ? 0.24304 0.17490 0.19123 0.01025  0.02360  -0.02025 52  SER A N   
672  C  CA  . SER A 44  ? 0.23115 0.18813 0.20808 0.00626  0.03564  -0.01233 52  SER A CA  
673  C  C   . SER A 44  ? 0.22939 0.18209 0.20753 -0.01345 0.01232  -0.03107 52  SER A C   
674  O  O   . SER A 44  ? 0.23320 0.17594 0.21332 -0.02465 -0.01070 -0.01834 52  SER A O   
675  C  CB  . SER A 44  ? 0.26264 0.20042 0.21693 0.01255  0.04071  -0.01783 52  SER A CB  
676  O  OG  . SER A 44  ? 0.30076 0.21664 0.22332 0.02771  0.04058  -0.00364 52  SER A OG  
682  N  N   . ARG A 45  ? 0.21408 0.18442 0.22750 -0.01572 0.02869  -0.01782 53  ARG A N   
683  C  CA  . ARG A 45  ? 0.25832 0.22334 0.25100 -0.01033 0.00894  -0.03860 53  ARG A CA  
684  C  C   . ARG A 45  ? 0.25263 0.18740 0.23785 -0.00527 0.00251  -0.02764 53  ARG A C   
685  O  O   . ARG A 45  ? 0.24251 0.17624 0.22366 0.01176  -0.00944 -0.02842 53  ARG A O   
686  C  CB  . ARG A 45  ? 0.29484 0.25463 0.25854 0.00800  0.01138  -0.07082 53  ARG A CB  
687  C  CG  . ARG A 45  ? 0.44014 0.37929 0.39104 0.03075  0.00114  -0.07105 53  ARG A CG  
688  C  CD  . ARG A 45  ? 0.54676 0.46238 0.49009 0.03523  0.00273  -0.08123 53  ARG A CD  
689  N  NE  . ARG A 45  ? 0.64238 0.54791 0.56803 0.03697  0.00456  -0.08378 53  ARG A NE  
690  C  CZ  . ARG A 45  ? 0.70838 0.60722 0.61754 0.03655  0.00480  -0.08482 53  ARG A CZ  
691  N  NH1 . ARG A 45  ? 0.74618 0.64453 0.65400 0.03583  0.00380  -0.08130 53  ARG A NH1 
692  N  NH2 . ARG A 45  ? 0.72359 0.62089 0.62988 0.03778  0.00581  -0.08334 53  ARG A NH2 
706  N  N   . TYR A 46  ? 0.26066 0.16704 0.23550 0.00601  -0.00541 -0.00181 54  TYR A N   
707  C  CA  . TYR A 46  ? 0.22121 0.15399 0.21522 0.03652  -0.01301 -0.00195 54  TYR A CA  
708  C  C   . TYR A 46  ? 0.23496 0.15344 0.20039 0.00943  -0.01805 -0.02253 54  TYR A C   
709  O  O   . TYR A 46  ? 0.24168 0.17050 0.21876 -0.01997 -0.02438 -0.03301 54  TYR A O   
710  C  CB  . TYR A 46  ? 0.23719 0.20780 0.22242 0.03412  -0.00002 0.01411  54  TYR A CB  
711  C  CG  . TYR A 46  ? 0.26026 0.25940 0.22493 0.02102  -0.00438 0.00474  54  TYR A CG  
712  C  CD1 . TYR A 46  ? 0.25711 0.26451 0.21821 0.04580  -0.00786 -0.00109 54  TYR A CD1 
713  C  CD2 . TYR A 46  ? 0.28623 0.29393 0.22159 0.01296  -0.00840 -0.01951 54  TYR A CD2 
714  C  CE1 . TYR A 46  ? 0.28294 0.30248 0.23717 0.03216  -0.01096 -0.00824 54  TYR A CE1 
715  C  CE2 . TYR A 46  ? 0.28973 0.31856 0.23874 0.01841  0.00535  -0.01560 54  TYR A CE2 
716  C  CZ  . TYR A 46  ? 0.29343 0.31116 0.23323 0.02207  0.00277  -0.02584 54  TYR A CZ  
717  O  OH  . TYR A 46  ? 0.30843 0.35281 0.26010 0.03588  0.01857  -0.02229 54  TYR A OH  
727  N  N   . PHE A 47  ? 0.26818 0.18899 0.20382 0.01613  -0.01564 -0.01026 55  PHE A N   
728  C  CA  . PHE A 47  ? 0.27125 0.20795 0.19757 0.01659  0.00461  0.00028  55  PHE A CA  
729  C  C   . PHE A 47  ? 0.23905 0.17104 0.20577 0.01334  0.00877  -0.01711 55  PHE A C   
730  O  O   . PHE A 47  ? 0.23066 0.16605 0.22566 0.01271  0.00599  -0.03685 55  PHE A O   
731  C  CB  . PHE A 47  ? 0.23803 0.19709 0.15864 0.04055  0.00765  0.02412  55  PHE A CB  
732  C  CG  . PHE A 47  ? 0.24259 0.23238 0.18386 0.03037  0.01509  0.02823  55  PHE A CG  
733  C  CD1 . PHE A 47  ? 0.25990 0.27700 0.22083 0.02021  0.02715  0.03920  55  PHE A CD1 
734  C  CD2 . PHE A 47  ? 0.25349 0.22145 0.21646 0.02811  0.04905  0.02735  55  PHE A CD2 
735  C  CE1 . PHE A 47  ? 0.28283 0.30326 0.26179 0.01894  0.01988  0.03830  55  PHE A CE1 
736  C  CE2 . PHE A 47  ? 0.27501 0.23590 0.24778 0.02788  0.04483  0.02694  55  PHE A CE2 
737  C  CZ  . PHE A 47  ? 0.27811 0.26559 0.26558 0.02528  0.03407  0.04288  55  PHE A CZ  
747  N  N   . LEU A 48  ? 0.24486 0.16428 0.20841 0.00410  -0.00739 0.00070  56  LEU A N   
748  C  CA  . LEU A 48  ? 0.25031 0.17586 0.21922 0.01527  0.00791  -0.02685 56  LEU A CA  
749  C  C   . LEU A 48  ? 0.22716 0.16700 0.23022 0.00448  -0.00087 -0.03374 56  LEU A C   
750  O  O   . LEU A 48  ? 0.23737 0.18606 0.24423 -0.00633 0.01378  -0.03973 56  LEU A O   
751  C  CB  . LEU A 48  ? 0.25949 0.17977 0.22427 0.01168  0.02512  -0.03505 56  LEU A CB  
752  C  CG  . LEU A 48  ? 0.30071 0.23699 0.28986 0.00790  0.04204  -0.03279 56  LEU A CG  
753  C  CD1 . LEU A 48  ? 0.34354 0.28879 0.33631 0.01101  0.04136  -0.00129 56  LEU A CD1 
754  C  CD2 . LEU A 48  ? 0.34170 0.28910 0.33376 0.00134  0.05889  -0.02686 56  LEU A CD2 
766  N  N   . HIS A 49  ? 0.23135 0.17562 0.24567 0.00435  0.01050  -0.01682 57  HIS A N   
767  C  CA  . HIS A 49  ? 0.22972 0.21975 0.26158 0.02292  -0.01582 -0.01902 57  HIS A CA  
768  C  C   . HIS A 49  ? 0.23050 0.20955 0.25549 0.01495  -0.02227 -0.01054 57  HIS A C   
769  O  O   . HIS A 49  ? 0.21746 0.20077 0.26747 0.02710  -0.01111 -0.01865 57  HIS A O   
770  C  CB  . HIS A 49  ? 0.24095 0.26858 0.26855 0.05994  -0.04834 -0.00257 57  HIS A CB  
771  C  CG  . HIS A 49  ? 0.32372 0.37867 0.36307 0.05506  -0.05573 0.01364  57  HIS A CG  
772  N  ND1 . HIS A 49  ? 0.41472 0.48078 0.44678 0.04465  -0.05532 0.02853  57  HIS A ND1 
773  C  CD2 . HIS A 49  ? 0.38731 0.44497 0.42182 0.04727  -0.05585 0.01987  57  HIS A CD2 
774  C  CE1 . HIS A 49  ? 0.42073 0.49297 0.44200 0.03498  -0.06201 0.02815  57  HIS A CE1 
775  N  NE2 . HIS A 49  ? 0.42108 0.48582 0.45261 0.04641  -0.04879 0.02334  57  HIS A NE2 
783  N  N   . GLN A 50  ? 0.23357 0.18956 0.23378 -0.00710 -0.02703 -0.00808 58  GLN A N   
784  C  CA  . GLN A 50  ? 0.26116 0.21187 0.23884 0.00017  -0.01559 -0.01861 58  GLN A CA  
785  C  C   . GLN A 50  ? 0.23540 0.19456 0.20710 0.02335  -0.02564 -0.01165 58  GLN A C   
786  O  O   . GLN A 50  ? 0.23631 0.19371 0.19718 0.00688  -0.01156 -0.03241 58  GLN A O   
787  C  CB  . GLN A 50  ? 0.27191 0.20248 0.23776 -0.00807 0.01826  -0.01896 58  GLN A CB  
788  C  CG  . GLN A 50  ? 0.32748 0.22967 0.28515 -0.01641 0.03005  0.00049  58  GLN A CG  
789  C  CD  . GLN A 50  ? 0.41364 0.30451 0.36751 -0.02172 0.02683  0.02900  58  GLN A CD  
790  O  OE1 . GLN A 50  ? 0.48432 0.40806 0.48059 -0.01224 0.01908  0.05360  58  GLN A OE1 
791  N  NE2 . GLN A 50  ? 0.43905 0.34478 0.34273 -0.04941 0.00714  0.03029  58  GLN A NE2 
800  N  N   . SER A 51  ? 0.21338 0.19514 0.19861 0.01680  -0.03032 -0.02370 59  SER A N   
801  C  CA  . SER A 51  ? 0.22937 0.19463 0.21500 0.01832  -0.01843 -0.01416 59  SER A CA  
802  C  C   . SER A 51  ? 0.21832 0.17072 0.21467 0.00280  -0.02745 -0.02381 59  SER A C   
803  O  O   . SER A 51  ? 0.21686 0.20083 0.22040 -0.02453 -0.01927 -0.02425 59  SER A O   
804  C  CB  . SER A 51  ? 0.22197 0.17232 0.19753 0.01591  -0.02378 0.00368  59  SER A CB  
805  O  OG  . SER A 51  ? 0.26031 0.17788 0.20485 0.00800  -0.00309 -0.00521 59  SER A OG  
811  N  N   . ARG A 52  ? 0.20593 0.17670 0.23006 0.00325  -0.00078 -0.03331 60  ARG A N   
812  C  CA  . ARG A 52  ? 0.24238 0.22878 0.26379 0.00628  -0.00121 -0.02014 60  ARG A CA  
813  C  C   . ARG A 52  ? 0.22216 0.21048 0.24302 0.01410  -0.01050 -0.02680 60  ARG A C   
814  O  O   . ARG A 52  ? 0.25739 0.19796 0.23792 0.00406  -0.01111 -0.02266 60  ARG A O   
815  C  CB  . ARG A 52  ? 0.26265 0.24726 0.24248 -0.00345 -0.00197 -0.03291 60  ARG A CB  
816  C  CG  . ARG A 52  ? 0.31169 0.29774 0.28243 -0.01190 0.01522  -0.04944 60  ARG A CG  
817  C  CD  . ARG A 52  ? 0.38511 0.36612 0.36099 -0.01562 0.02016  -0.05015 60  ARG A CD  
818  N  NE  . ARG A 52  ? 0.37346 0.35754 0.35985 -0.01365 0.02691  -0.06887 60  ARG A NE  
819  C  CZ  . ARG A 52  ? 0.41116 0.39186 0.41892 -0.00226 0.02887  -0.06984 60  ARG A CZ  
820  N  NH1 . ARG A 52  ? 0.41363 0.40721 0.43010 0.00285  0.02623  -0.07790 60  ARG A NH1 
821  N  NH2 . ARG A 52  ? 0.46483 0.43628 0.47945 -0.00325 0.02626  -0.05053 60  ARG A NH2 
835  N  N   . GLU A 53  ? 0.21901 0.21773 0.23379 0.02710  -0.02617 -0.02303 61  GLU A N   
836  C  CA  . GLU A 53  ? 0.22922 0.20625 0.21996 0.02358  -0.03068 -0.00608 61  GLU A CA  
837  C  C   . GLU A 53  ? 0.22993 0.19152 0.20996 0.00448  -0.04116 -0.00000 61  GLU A C   
838  O  O   . GLU A 53  ? 0.23616 0.20166 0.23491 0.00354  -0.05209 -0.00101 61  GLU A O   
839  C  CB  . GLU A 53  ? 0.27844 0.22855 0.28284 0.02274  -0.01040 0.00306  61  GLU A CB  
840  C  CG  . GLU A 53  ? 0.35399 0.31176 0.38024 0.02964  -0.00381 0.00921  61  GLU A CG  
841  C  CD  . GLU A 53  ? 0.43801 0.40431 0.45948 0.03366  -0.00300 0.02835  61  GLU A CD  
842  O  OE1 . GLU A 53  ? 0.46840 0.40778 0.46923 0.01022  0.02592  0.04639  61  GLU A OE1 
843  O  OE2 . GLU A 53  ? 0.44711 0.44764 0.47059 0.05093  -0.02792 0.03086  61  GLU A OE2 
850  N  N   . GLU A 54  ? 0.22437 0.17912 0.20172 0.00205  -0.03513 -0.01993 62  GLU A N   
851  C  CA  . GLU A 54  ? 0.24536 0.21834 0.23079 0.01128  -0.01086 -0.00726 62  GLU A CA  
852  C  C   . GLU A 54  ? 0.21906 0.18029 0.20904 0.02134  0.00208  -0.01758 62  GLU A C   
853  O  O   . GLU A 54  ? 0.21098 0.19075 0.22233 0.01328  -0.02040 -0.01663 62  GLU A O   
854  C  CB  . GLU A 54  ? 0.24800 0.23103 0.23275 0.00579  -0.00036 -0.02643 62  GLU A CB  
855  C  CG  . GLU A 54  ? 0.27765 0.23967 0.23943 -0.00033 0.01802  -0.04492 62  GLU A CG  
856  C  CD  . GLU A 54  ? 0.30313 0.26043 0.24648 -0.03585 0.02111  -0.05046 62  GLU A CD  
857  O  OE1 . GLU A 54  ? 0.29226 0.25005 0.22187 -0.03880 0.01035  -0.05885 62  GLU A OE1 
858  O  OE2 . GLU A 54  ? 0.34302 0.32459 0.29474 -0.05020 0.04065  -0.04049 62  GLU A OE2 
865  N  N   . THR A 55  ? 0.22147 0.15762 0.19441 0.00548  -0.00436 -0.03067 63  THR A N   
866  C  CA  . THR A 55  ? 0.26067 0.22954 0.22665 -0.01260 0.00074  -0.00876 63  THR A CA  
867  C  C   . THR A 55  ? 0.25120 0.22249 0.22472 -0.01618 -0.00863 -0.01460 63  THR A C   
868  O  O   . THR A 55  ? 0.24076 0.22717 0.21852 -0.01685 -0.01430 -0.00537 63  THR A O   
869  C  CB  . THR A 55  ? 0.24424 0.26946 0.21976 -0.02118 -0.00270 0.01999  63  THR A CB  
870  O  OG1 . THR A 55  ? 0.26224 0.32634 0.21975 -0.02055 -0.00435 0.00677  63  THR A OG1 
871  C  CG2 . THR A 55  ? 0.23713 0.27862 0.23217 -0.02093 -0.00002 0.02310  63  THR A CG2 
879  N  N   . GLU A 56  ? 0.23381 0.21310 0.22888 -0.02584 -0.00843 -0.02233 64  GLU A N   
880  C  CA  . GLU A 56  ? 0.23487 0.23389 0.25316 -0.01352 -0.03065 -0.00057 64  GLU A CA  
881  C  C   . GLU A 56  ? 0.20931 0.19965 0.22902 -0.00409 -0.03791 -0.01199 64  GLU A C   
882  O  O   . GLU A 56  ? 0.21736 0.20703 0.23859 0.00324  -0.02823 -0.01539 64  GLU A O   
883  C  CB  . GLU A 56  ? 0.24886 0.26514 0.27959 -0.00392 -0.06022 0.00285  64  GLU A CB  
884  C  CG  . GLU A 56  ? 0.40586 0.42961 0.42595 -0.00241 -0.04464 -0.02038 64  GLU A CG  
885  C  CD  . GLU A 56  ? 0.54146 0.55873 0.54583 -0.00855 -0.02388 -0.03987 64  GLU A CD  
886  O  OE1 . GLU A 56  ? 0.61146 0.63100 0.61178 0.01415  -0.00656 -0.04128 64  GLU A OE1 
887  O  OE2 . GLU A 56  ? 0.54628 0.57375 0.54320 -0.04672 -0.03871 -0.05423 64  GLU A OE2 
894  N  N   . HIS A 57  ? 0.21729 0.20880 0.23498 -0.01674 -0.02870 0.00665  65  HIS A N   
895  C  CA  A HIS A 57  ? 0.24464 0.20568 0.23858 -0.01318 -0.01174 -0.00072 65  HIS A CA  
896  C  CA  B HIS A 57  ? 0.24054 0.21542 0.24731 -0.01793 -0.01551 -0.00423 65  HIS A CA  
897  C  C   . HIS A 57  ? 0.21956 0.19725 0.22354 -0.02283 -0.01768 -0.00809 65  HIS A C   
898  O  O   . HIS A 57  ? 0.24310 0.19168 0.23053 -0.03165 -0.01017 -0.01642 65  HIS A O   
899  C  CB  A HIS A 57  ? 0.26268 0.19174 0.20891 -0.02342 -0.00086 0.00382  65  HIS A CB  
900  C  CB  B HIS A 57  ? 0.26559 0.22565 0.25695 -0.02355 -0.00647 -0.00884 65  HIS A CB  
901  C  CG  A HIS A 57  ? 0.25307 0.16658 0.20219 0.00447  0.02149  0.03369  65  HIS A CG  
902  C  CG  B HIS A 57  ? 0.28799 0.23863 0.28094 -0.01428 0.00728  -0.00123 65  HIS A CG  
903  N  ND1 A HIS A 57  ? 0.26851 0.18863 0.23003 0.01324  0.01161  0.02077  65  HIS A ND1 
904  N  ND1 B HIS A 57  ? 0.29223 0.24554 0.28129 -0.00674 0.02270  0.00002  65  HIS A ND1 
905  C  CD2 A HIS A 57  ? 0.25561 0.18144 0.24667 -0.00619 0.03723  0.04436  65  HIS A CD2 
906  C  CD2 B HIS A 57  ? 0.28390 0.23581 0.28600 -0.01286 0.01959  0.00636  65  HIS A CD2 
907  C  CE1 A HIS A 57  ? 0.26008 0.18700 0.23194 -0.00291 0.03249  0.05534  65  HIS A CE1 
908  C  CE1 B HIS A 57  ? 0.30146 0.25715 0.30234 -0.00421 0.02303  -0.00238 65  HIS A CE1 
909  N  NE2 A HIS A 57  ? 0.27857 0.19615 0.26196 0.00634  0.03156  0.05752  65  HIS A NE2 
910  N  NE2 B HIS A 57  ? 0.29972 0.24906 0.29761 -0.01341 0.02379  0.00490  65  HIS A NE2 
923  N  N   . ALA A 58  ? 0.19370 0.21882 0.20795 -0.00492 -0.03558 -0.01696 66  ALA A N   
924  C  CA  . ALA A 58  ? 0.19569 0.22477 0.20962 0.00101  -0.02357 0.00095  66  ALA A CA  
925  C  C   . ALA A 58  ? 0.20782 0.22188 0.20040 0.00452  -0.01079 0.00560  66  ALA A C   
926  O  O   . ALA A 58  ? 0.21790 0.24024 0.20789 -0.00675 -0.02478 0.00375  66  ALA A O   
927  C  CB  . ALA A 58  ? 0.16695 0.21955 0.21874 0.02617  -0.02493 0.00548  66  ALA A CB  
934  N  N   . GLU A 59  ? 0.20192 0.21135 0.20146 -0.00125 0.01403  0.00464  67  GLU A N   
935  C  CA  . GLU A 59  ? 0.21892 0.24803 0.22130 0.00120  -0.00141 0.00042  67  GLU A CA  
936  C  C   . GLU A 59  ? 0.20340 0.22605 0.20888 0.00286  -0.01109 -0.00536 67  GLU A C   
937  O  O   . GLU A 59  ? 0.21350 0.23916 0.23126 -0.01876 -0.00526 -0.01231 67  GLU A O   
938  C  CB  . GLU A 59  ? 0.24842 0.25712 0.22454 -0.00865 0.01149  -0.00556 67  GLU A CB  
939  C  CG  . GLU A 59  ? 0.28194 0.29245 0.25243 -0.01258 0.00812  -0.02872 67  GLU A CG  
940  C  CD  . GLU A 59  ? 0.34538 0.35666 0.32152 -0.00905 0.02645  -0.03497 67  GLU A CD  
941  O  OE1 . GLU A 59  ? 0.34580 0.36955 0.33144 0.00501  0.06417  -0.03147 67  GLU A OE1 
942  O  OE2 . GLU A 59  ? 0.35161 0.34945 0.31476 -0.01800 0.01798  -0.04195 67  GLU A OE2 
949  N  N   . LYS A 60  ? 0.20735 0.21331 0.20956 -0.00282 -0.00939 0.00362  68  LYS A N   
950  C  CA  . LYS A 60  ? 0.22201 0.23914 0.22549 -0.00235 -0.01479 -0.01104 68  LYS A CA  
951  C  C   . LYS A 60  ? 0.22655 0.25609 0.23544 -0.00014 -0.00778 -0.00713 68  LYS A C   
952  O  O   . LYS A 60  ? 0.21100 0.23527 0.22855 0.00238  0.00280  0.02523  68  LYS A O   
953  C  CB  . LYS A 60  ? 0.27661 0.27080 0.27319 0.00035  -0.02258 0.01406  68  LYS A CB  
954  C  CG  . LYS A 60  ? 0.36817 0.36693 0.38272 0.00289  -0.00985 0.03564  68  LYS A CG  
955  C  CD  . LYS A 60  ? 0.40821 0.39952 0.45641 0.02138  -0.01040 0.05412  68  LYS A CD  
956  C  CE  . LYS A 60  ? 0.46123 0.45454 0.52671 0.03126  -0.00981 0.04306  68  LYS A CE  
957  N  NZ  . LYS A 60  ? 0.47639 0.46664 0.54895 0.04450  -0.00881 0.04285  68  LYS A NZ  
971  N  N   . LEU A 61  ? 0.18290 0.22392 0.19007 -0.01520 -0.01581 -0.02947 69  LEU A N   
972  C  CA  . LEU A 61  ? 0.18104 0.23531 0.22435 -0.00850 -0.00283 -0.02013 69  LEU A CA  
973  C  C   . LEU A 61  ? 0.19838 0.22281 0.21954 -0.00929 -0.00858 -0.01841 69  LEU A C   
974  O  O   . LEU A 61  ? 0.20387 0.22910 0.22520 -0.01200 -0.00057 -0.03625 69  LEU A O   
975  C  CB  . LEU A 61  ? 0.16794 0.22606 0.22397 -0.01394 -0.00618 -0.02308 69  LEU A CB  
976  C  CG  . LEU A 61  ? 0.25294 0.26560 0.25259 -0.01223 0.00309  -0.01697 69  LEU A CG  
977  C  CD1 . LEU A 61  ? 0.25862 0.27186 0.25098 -0.01168 0.01557  -0.00917 69  LEU A CD1 
978  C  CD2 . LEU A 61  ? 0.27769 0.28524 0.25416 -0.02265 0.00757  -0.02037 69  LEU A CD2 
990  N  N   . MET A 62  ? 0.21321 0.23817 0.21932 0.00192  -0.00430 -0.00253 70  MET A N   
991  C  CA  . MET A 62  ? 0.23705 0.23789 0.20737 0.00676  -0.01517 -0.00525 70  MET A CA  
992  C  C   . MET A 62  ? 0.21586 0.21843 0.20936 -0.02800 -0.00301 -0.01251 70  MET A C   
993  O  O   . MET A 62  ? 0.22262 0.22583 0.23084 -0.03603 -0.02834 -0.00159 70  MET A O   
994  C  CB  . MET A 62  ? 0.26824 0.26204 0.21596 -0.00263 -0.01362 -0.01498 70  MET A CB  
995  C  CG  . MET A 62  ? 0.24891 0.25260 0.17718 0.00328  -0.03189 -0.00991 70  MET A CG  
996  S  SD  . MET A 62  ? 0.30511 0.30143 0.23738 -0.00781 -0.01827 -0.00731 70  MET A SD  
997  C  CE  . MET A 62  ? 0.32096 0.33012 0.30431 -0.01165 -0.00359 -0.01359 70  MET A CE  
1007 N  N   . ARG A 63  ? 0.23240 0.21431 0.22572 -0.00573 0.01753  -0.00963 71  ARG A N   
1008 C  CA  . ARG A 63  ? 0.26641 0.28134 0.26082 -0.00062 -0.01324 -0.00170 71  ARG A CA  
1009 C  C   . ARG A 63  ? 0.20507 0.23150 0.19640 -0.01264 -0.03483 -0.00583 71  ARG A C   
1010 O  O   . ARG A 63  ? 0.22680 0.24527 0.20740 -0.01558 -0.04112 -0.03223 71  ARG A O   
1011 C  CB  . ARG A 63  ? 0.26880 0.32603 0.26732 0.02700  -0.02240 -0.00041 71  ARG A CB  
1012 C  CG  . ARG A 63  ? 0.27467 0.36919 0.29815 0.06340  -0.04022 0.00904  71  ARG A CG  
1013 C  CD  . ARG A 63  ? 0.30830 0.43317 0.35177 0.10312  -0.05301 -0.00108 71  ARG A CD  
1014 N  NE  . ARG A 63  ? 0.42986 0.56858 0.47601 0.10256  -0.05446 -0.00749 71  ARG A NE  
1015 C  CZ  . ARG A 63  ? 0.48804 0.64948 0.54378 0.10904  -0.05478 0.00396  71  ARG A CZ  
1016 N  NH1 . ARG A 63  ? 0.54378 0.70525 0.59277 0.10307  -0.05301 0.01289  71  ARG A NH1 
1017 N  NH2 . ARG A 63  ? 0.46001 0.62557 0.52790 0.12686  -0.06498 0.00937  71  ARG A NH2 
1031 N  N   . LEU A 64  ? 0.21221 0.23488 0.19185 -0.03699 -0.01319 -0.01812 72  LEU A N   
1032 C  CA  . LEU A 64  ? 0.21891 0.23876 0.19741 -0.04383 -0.01351 -0.02094 72  LEU A CA  
1033 C  C   . LEU A 64  ? 0.23343 0.25889 0.21954 -0.03640 -0.00889 -0.00958 72  LEU A C   
1034 O  O   . LEU A 64  ? 0.23610 0.27905 0.23633 -0.04286 -0.00044 0.00306  72  LEU A O   
1035 C  CB  . LEU A 64  ? 0.26252 0.26515 0.22934 -0.04129 -0.00179 -0.00521 72  LEU A CB  
1036 C  CG  . LEU A 64  ? 0.30633 0.31477 0.26334 -0.01884 0.00440  -0.00036 72  LEU A CG  
1037 C  CD1 . LEU A 64  ? 0.31479 0.33553 0.26886 -0.00690 -0.01152 -0.00683 72  LEU A CD1 
1038 C  CD2 . LEU A 64  ? 0.33072 0.32544 0.27415 -0.00901 0.03126  -0.00517 72  LEU A CD2 
1050 N  N   . GLN A 65  ? 0.25162 0.27541 0.24180 -0.03017 -0.01822 -0.01810 73  GLN A N   
1051 C  CA  . GLN A 65  ? 0.28482 0.28005 0.22549 0.00370  -0.03359 -0.01812 73  GLN A CA  
1052 C  C   . GLN A 65  ? 0.25519 0.25020 0.19591 -0.00110 -0.05839 -0.01685 73  GLN A C   
1053 O  O   . GLN A 65  ? 0.29822 0.29898 0.25324 -0.00766 -0.05640 -0.04131 73  GLN A O   
1054 C  CB  . GLN A 65  ? 0.32842 0.30908 0.25532 0.05152  -0.03775 -0.01647 73  GLN A CB  
1055 C  CG  . GLN A 65  ? 0.34884 0.34024 0.28490 0.06459  -0.01704 -0.01141 73  GLN A CG  
1056 C  CD  . GLN A 65  ? 0.30601 0.32866 0.27646 0.05517  -0.00741 0.00468  73  GLN A CD  
1057 O  OE1 . GLN A 65  ? 0.30800 0.36961 0.30412 0.04681  -0.01118 -0.00084 73  GLN A OE1 
1058 N  NE2 . GLN A 65  ? 0.27646 0.27269 0.25439 0.05095  -0.00900 -0.01880 73  GLN A NE2 
1067 N  N   . ASN A 66  ? 0.24267 0.23354 0.19231 -0.02182 -0.04789 -0.00328 74  ASN A N   
1068 C  CA  . ASN A 66  ? 0.24707 0.29341 0.22688 -0.03965 -0.03600 0.01001  74  ASN A CA  
1069 C  C   . ASN A 66  ? 0.19627 0.25327 0.20455 -0.04377 -0.03344 -0.00653 74  ASN A C   
1070 O  O   . ASN A 66  ? 0.21416 0.26915 0.24610 -0.04036 -0.02348 -0.00738 74  ASN A O   
1071 C  CB  . ASN A 66  ? 0.27477 0.35781 0.24727 -0.07369 -0.02345 0.02508  74  ASN A CB  
1072 C  CG  . ASN A 66  ? 0.32584 0.43013 0.29869 -0.09060 -0.04602 0.03994  74  ASN A CG  
1073 O  OD1 . ASN A 66  ? 0.37533 0.41174 0.32922 -0.08073 -0.07355 0.09968  74  ASN A OD1 
1074 N  ND2 . ASN A 66  ? 0.27317 0.46972 0.25689 -0.13766 -0.01889 0.00725  74  ASN A ND2 
1081 N  N   . GLN A 67  ? 0.23108 0.26326 0.22610 -0.02741 -0.03844 0.00540  75  GLN A N   
1082 C  CA  . GLN A 67  ? 0.24910 0.27503 0.24757 -0.01721 -0.05665 -0.00045 75  GLN A CA  
1083 C  C   . GLN A 67  ? 0.27198 0.27283 0.22298 -0.02774 -0.04769 -0.00248 75  GLN A C   
1084 O  O   . GLN A 67  ? 0.29765 0.32350 0.24315 -0.00018 -0.05469 -0.00463 75  GLN A O   
1085 C  CB  . GLN A 67  ? 0.27939 0.28980 0.28462 0.01135  -0.06185 0.01904  75  GLN A CB  
1086 C  CG  . GLN A 67  ? 0.35276 0.35317 0.37712 0.01662  -0.04723 0.01781  75  GLN A CG  
1087 C  CD  . GLN A 67  ? 0.41892 0.40639 0.47151 0.02660  -0.04222 0.01735  75  GLN A CD  
1088 O  OE1 . GLN A 67  ? 0.44771 0.43250 0.49529 0.03951  -0.05401 0.02205  75  GLN A OE1 
1089 N  NE2 . GLN A 67  ? 0.42187 0.38424 0.48813 0.02977  -0.03807 0.02704  75  GLN A NE2 
1098 N  N   . ARG A 68  ? 0.26215 0.24400 0.19231 -0.04585 -0.03350 0.00127  76  ARG A N   
1099 C  CA  . ARG A 68  ? 0.30136 0.26474 0.21552 -0.03493 -0.01618 -0.00858 76  ARG A CA  
1100 C  C   . ARG A 68  ? 0.31033 0.26336 0.20859 -0.03926 -0.00361 -0.00708 76  ARG A C   
1101 O  O   . ARG A 68  ? 0.32964 0.27987 0.22923 -0.02684 0.00754  -0.02571 76  ARG A O   
1102 C  CB  . ARG A 68  ? 0.32313 0.28360 0.23799 -0.02271 -0.00132 -0.01742 76  ARG A CB  
1103 C  CG  . ARG A 68  ? 0.36051 0.30510 0.27723 -0.02269 0.01487  -0.02212 76  ARG A CG  
1104 C  CD  . ARG A 68  ? 0.39688 0.32271 0.31449 -0.02214 0.03589  -0.01365 76  ARG A CD  
1105 N  NE  . ARG A 68  ? 0.40813 0.32085 0.29774 -0.02771 0.04145  -0.00133 76  ARG A NE  
1106 C  CZ  . ARG A 68  ? 0.42781 0.30332 0.32136 -0.02039 0.04159  0.01310  76  ARG A CZ  
1107 N  NH1 . ARG A 68  ? 0.39908 0.25382 0.30477 0.00069  0.04939  0.02682  76  ARG A NH1 
1108 N  NH2 . ARG A 68  ? 0.44010 0.29773 0.32229 -0.02487 0.03079  0.02544  76  ARG A NH2 
1122 N  N   . GLY A 69  ? 0.34284 0.27969 0.24080 -0.04006 -0.01962 0.01408  77  GLY A N   
1123 C  CA  . GLY A 69  ? 0.36987 0.30798 0.28056 -0.01907 -0.00740 0.02336  77  GLY A CA  
1124 C  C   . GLY A 69  ? 0.36532 0.28703 0.27891 0.00516  -0.01507 0.02205  77  GLY A C   
1125 O  O   . GLY A 69  ? 0.41288 0.30805 0.32960 -0.00537 -0.02172 0.00776  77  GLY A O   
1129 N  N   . GLY A 70  ? 0.34306 0.27643 0.26023 0.02939  -0.02209 0.01373  78  GLY A N   
1130 C  CA  . GLY A 70  ? 0.33929 0.28231 0.24608 0.05325  -0.00965 0.01337  78  GLY A CA  
1131 C  C   . GLY A 70  ? 0.36728 0.31467 0.26350 0.03640  0.00906  0.00220  78  GLY A C   
1132 O  O   . GLY A 70  ? 0.39850 0.37281 0.29032 0.04909  -0.00460 0.01677  78  GLY A O   
1136 N  N   . ARG A 71  ? 0.34228 0.28265 0.26235 0.00011  0.01231  -0.00895 79  ARG A N   
1137 C  CA  . ARG A 71  ? 0.37943 0.30481 0.28508 -0.02408 0.01031  -0.00741 79  ARG A CA  
1138 C  C   . ARG A 71  ? 0.33501 0.27830 0.26032 -0.01976 -0.00125 -0.01236 79  ARG A C   
1139 O  O   . ARG A 71  ? 0.30391 0.26690 0.23447 -0.02231 -0.00904 -0.03819 79  ARG A O   
1140 C  CB  . ARG A 71  ? 0.50263 0.38041 0.37141 -0.02254 0.02932  -0.00071 79  ARG A CB  
1141 C  CG  . ARG A 71  ? 0.62913 0.46789 0.44930 0.00254  0.05421  0.01197  79  ARG A CG  
1142 C  CD  . ARG A 71  ? 0.72661 0.53414 0.51198 0.02573  0.07680  0.02061  79  ARG A CD  
1143 N  NE  . ARG A 71  ? 0.77820 0.55838 0.53731 0.05307  0.09408  0.03235  79  ARG A NE  
1144 C  CZ  . ARG A 71  ? 0.81169 0.56760 0.56503 0.07222  0.10914  0.02841  79  ARG A CZ  
1145 N  NH1 . ARG A 71  ? 0.83488 0.58126 0.58891 0.07598  0.11645  0.02800  79  ARG A NH1 
1146 N  NH2 . ARG A 71  ? 0.81664 0.56604 0.56021 0.08270  0.10751  0.02968  79  ARG A NH2 
1160 N  N   . ILE A 72  ? 0.31690 0.26267 0.24834 -0.01373 -0.01185 -0.00527 80  ILE A N   
1161 C  CA  . ILE A 72  ? 0.26253 0.25842 0.22970 -0.01250 -0.01536 -0.00385 80  ILE A CA  
1162 C  C   . ILE A 72  ? 0.27490 0.24307 0.24360 -0.02547 -0.01004 0.01208  80  ILE A C   
1163 O  O   . ILE A 72  ? 0.28623 0.27004 0.25671 -0.03124 -0.02071 0.04288  80  ILE A O   
1164 C  CB  . ILE A 72  ? 0.23184 0.25669 0.22086 -0.00070 -0.03134 -0.01070 80  ILE A CB  
1165 C  CG1 . ILE A 72  ? 0.23908 0.28050 0.21567 0.00702  -0.02679 0.01129  80  ILE A CG1 
1166 C  CG2 . ILE A 72  ? 0.26159 0.29163 0.27175 0.00320  -0.02968 -0.01708 80  ILE A CG2 
1167 C  CD1 . ILE A 72  ? 0.24597 0.28311 0.22148 0.00440  -0.02656 0.01880  80  ILE A CD1 
1179 N  N   . ARG A 73  ? 0.24390 0.21102 0.22297 -0.02906 -0.03992 0.00170  81  ARG A N   
1180 C  CA  . ARG A 73  ? 0.25547 0.23699 0.24767 -0.00822 -0.02099 0.01077  81  ARG A CA  
1181 C  C   . ARG A 73  ? 0.25344 0.26736 0.24187 0.00008  -0.01007 -0.00264 81  ARG A C   
1182 O  O   . ARG A 73  ? 0.28760 0.26681 0.23108 -0.00145 -0.01369 -0.02159 81  ARG A O   
1183 C  CB  . ARG A 73  ? 0.29818 0.25316 0.31061 -0.01281 -0.02824 0.00402  81  ARG A CB  
1184 C  CG  . ARG A 73  ? 0.33362 0.29851 0.39211 -0.02579 -0.04034 -0.01115 81  ARG A CG  
1185 C  CD  . ARG A 73  ? 0.36909 0.34247 0.45731 -0.03346 -0.05535 -0.01409 81  ARG A CD  
1186 N  NE  . ARG A 73  ? 0.37918 0.36367 0.48013 -0.03711 -0.07020 -0.02982 81  ARG A NE  
1195 N  N   . LEU A 74  ? 0.20910 0.25321 0.20417 -0.00638 -0.02079 0.00572  82  LEU A N   
1196 C  CA  . LEU A 74  ? 0.21704 0.24960 0.22218 -0.01423 -0.01955 0.01691  82  LEU A CA  
1197 C  C   . LEU A 74  ? 0.23016 0.23594 0.23045 0.01172  -0.02887 0.02318  82  LEU A C   
1198 O  O   . LEU A 74  ? 0.25255 0.24389 0.24806 -0.00438 -0.06430 0.03579  82  LEU A O   
1199 C  CB  . LEU A 74  ? 0.21361 0.25534 0.24393 -0.02538 -0.01995 0.02032  82  LEU A CB  
1200 C  CG  . LEU A 74  ? 0.21560 0.28689 0.25019 -0.02068 -0.00762 0.00205  82  LEU A CG  
1201 C  CD1 . LEU A 74  ? 0.21473 0.30408 0.27023 -0.01795 -0.00673 -0.01421 82  LEU A CD1 
1202 C  CD2 . LEU A 74  ? 0.22387 0.30284 0.25180 -0.02629 -0.00549 0.01903  82  LEU A CD2 
1214 N  N   . GLN A 75  ? 0.21992 0.23504 0.21333 0.02229  -0.02016 0.01393  83  GLN A N   
1215 C  CA  . GLN A 75  ? 0.21283 0.24692 0.19727 0.03326  -0.01067 0.01130  83  GLN A CA  
1216 C  C   . GLN A 75  ? 0.19458 0.21919 0.21841 0.01997  0.00481  0.00248  83  GLN A C   
1217 O  O   . GLN A 75  ? 0.18640 0.22112 0.21526 0.01586  0.00249  0.00565  83  GLN A O   
1218 C  CB  . GLN A 75  ? 0.26436 0.32265 0.23514 0.05346  0.01379  -0.01697 83  GLN A CB  
1219 C  CG  . GLN A 75  ? 0.37226 0.45522 0.32255 0.06634  0.01940  -0.02006 83  GLN A CG  
1220 C  CD  . GLN A 75  ? 0.47705 0.56518 0.40191 0.10297  0.00763  -0.00250 83  GLN A CD  
1221 O  OE1 . GLN A 75  ? 0.51733 0.58328 0.43345 0.13533  -0.00764 -0.00386 83  GLN A OE1 
1222 N  NE2 . GLN A 75  ? 0.49542 0.59040 0.40592 0.10163  0.02038  0.00362  83  GLN A NE2 
1231 N  N   . ASP A 76  ? 0.20248 0.18062 0.22432 0.01428  -0.00072 0.00461  84  ASP A N   
1232 C  CA  . ASP A 76  ? 0.18819 0.17524 0.21277 0.01794  -0.00404 -0.00494 84  ASP A CA  
1233 C  C   . ASP A 76  ? 0.21357 0.20617 0.21993 0.01487  -0.00400 0.01200  84  ASP A C   
1234 O  O   . ASP A 76  ? 0.18392 0.20177 0.20570 0.01623  -0.03397 0.00680  84  ASP A O   
1235 C  CB  . ASP A 76  ? 0.19319 0.19352 0.23590 0.01339  -0.02247 0.00059  84  ASP A CB  
1236 C  CG  . ASP A 76  ? 0.17176 0.21263 0.24047 0.01204  -0.00904 0.00285  84  ASP A CG  
1237 O  OD1 . ASP A 76  ? 0.18490 0.22566 0.24263 0.00290  -0.00533 0.00228  84  ASP A OD1 
1238 O  OD2 . ASP A 76  ? 0.17997 0.24094 0.27469 0.03338  0.00417  0.01099  84  ASP A OD2 
1243 N  N   . ILE A 77  ? 0.20895 0.17041 0.19282 0.00774  -0.00614 0.01334  85  ILE A N   
1244 C  CA  . ILE A 77  ? 0.20389 0.17573 0.20485 0.01611  0.00940  0.01197  85  ILE A CA  
1245 C  C   . ILE A 77  ? 0.20367 0.20837 0.22198 0.01829  -0.00278 -0.00105 85  ILE A C   
1246 O  O   . ILE A 77  ? 0.19769 0.22098 0.22567 -0.00312 -0.02529 0.00549  85  ILE A O   
1247 C  CB  . ILE A 77  ? 0.18129 0.16392 0.20003 0.01333  -0.00295 -0.00966 85  ILE A CB  
1248 C  CG1 . ILE A 77  ? 0.20437 0.21362 0.19047 0.02049  0.00194  -0.02357 85  ILE A CG1 
1249 C  CG2 . ILE A 77  ? 0.19332 0.19939 0.22060 0.01576  -0.00989 0.01105  85  ILE A CG2 
1250 C  CD1 . ILE A 77  ? 0.22933 0.25604 0.19751 0.01019  -0.00072 -0.01375 85  ILE A CD1 
1262 N  N   . LYS A 78  ? 0.18665 0.20513 0.21352 0.02441  -0.00433 0.01154  86  LYS A N   
1263 C  CA  . LYS A 78  ? 0.18353 0.18511 0.21617 0.04659  -0.00920 -0.00858 86  LYS A CA  
1264 C  C   . LYS A 78  ? 0.17699 0.16209 0.21584 0.04037  -0.01810 0.00395  86  LYS A C   
1265 O  O   . LYS A 78  ? 0.19738 0.15467 0.24907 0.04661  -0.00836 0.01409  86  LYS A O   
1266 C  CB  . LYS A 78  ? 0.23482 0.21813 0.24852 0.05552  0.01606  -0.02807 86  LYS A CB  
1267 C  CG  . LYS A 78  ? 0.28351 0.23857 0.28095 0.08488  -0.00737 -0.01889 86  LYS A CG  
1268 C  CD  . LYS A 78  ? 0.33834 0.27181 0.31789 0.10347  -0.00209 -0.00747 86  LYS A CD  
1269 C  CE  . LYS A 78  ? 0.38575 0.30897 0.34234 0.12098  0.00164  0.02355  86  LYS A CE  
1270 N  NZ  . LYS A 78  ? 0.44873 0.39336 0.40919 0.11638  -0.00294 0.02888  86  LYS A NZ  
1284 N  N   . LYS A 79  ? 0.15794 0.16563 0.24026 0.01702  -0.01373 -0.00667 87  LYS A N   
1285 C  CA  . LYS A 79  ? 0.19192 0.18753 0.24136 0.01007  -0.01230 -0.00525 87  LYS A CA  
1286 C  C   . LYS A 79  ? 0.21968 0.18606 0.23468 0.01350  -0.01085 -0.00724 87  LYS A C   
1287 O  O   . LYS A 79  ? 0.23414 0.19892 0.23490 -0.01779 -0.00385 -0.01011 87  LYS A O   
1288 C  CB  . LYS A 79  ? 0.20903 0.23819 0.26432 -0.00072 -0.01619 0.00680  87  LYS A CB  
1289 C  CG  . LYS A 79  ? 0.21306 0.28138 0.26282 0.00186  -0.00319 -0.01288 87  LYS A CG  
1290 C  CD  . LYS A 79  ? 0.23687 0.34556 0.28648 0.00553  0.00075  -0.02349 87  LYS A CD  
1291 C  CE  . LYS A 79  ? 0.29467 0.42699 0.34576 -0.00221 -0.03265 -0.03318 87  LYS A CE  
1292 N  NZ  . LYS A 79  ? 0.37614 0.51655 0.43140 -0.01205 -0.03250 -0.03082 87  LYS A NZ  
1306 N  N   . PRO A 80  ? 0.23271 0.20139 0.25914 -0.00128 -0.00280 0.00792  88  PRO A N   
1307 C  CA  . PRO A 80  ? 0.28191 0.23287 0.31009 -0.02038 -0.01120 0.01749  88  PRO A CA  
1308 C  C   . PRO A 80  ? 0.32535 0.31446 0.40422 -0.01029 -0.02313 0.02792  88  PRO A C   
1309 O  O   . PRO A 80  ? 0.23792 0.24523 0.33963 -0.03454 -0.03806 -0.00362 88  PRO A O   
1310 C  CB  . PRO A 80  ? 0.28416 0.20194 0.30741 -0.00663 -0.00511 0.02630  88  PRO A CB  
1311 C  CG  . PRO A 80  ? 0.28229 0.19649 0.28906 0.02429  -0.00996 0.00641  88  PRO A CG  
1312 C  CD  . PRO A 80  ? 0.26395 0.20785 0.26564 0.02072  -0.00977 -0.00250 88  PRO A CD  
1320 N  N   . GLU A 81  ? 0.38736 0.39740 0.48521 0.00275  -0.04381 0.05960  89  GLU A N   
1321 C  CA  . GLU A 81  ? 0.44822 0.45353 0.54919 -0.00158 -0.08215 0.07412  89  GLU A CA  
1322 C  C   . GLU A 81  ? 0.49923 0.45841 0.59946 -0.04346 -0.09063 0.07183  89  GLU A C   
1323 O  O   . GLU A 81  ? 0.47176 0.43171 0.60420 -0.03926 -0.08966 0.06136  89  GLU A O   
1324 C  CB  . GLU A 81  ? 0.50465 0.52635 0.61304 0.00446  -0.10197 0.08377  89  GLU A CB  
1325 C  CG  . GLU A 81  ? 0.55689 0.57825 0.66493 0.02032  -0.11844 0.09321  89  GLU A CG  
1326 C  CD  . GLU A 81  ? 0.57729 0.59753 0.68776 0.04696  -0.12803 0.11318  89  GLU A CD  
1327 O  OE1 . GLU A 81  ? 0.61439 0.63357 0.72286 0.05563  -0.12621 0.11726  89  GLU A OE1 
1328 O  OE2 . GLU A 81  ? 0.60555 0.61529 0.70824 0.05055  -0.12977 0.11706  89  GLU A OE2 
1335 N  N   . GLN A 82  ? 0.43895 0.36188 0.50481 -0.07261 -0.09984 0.07228  90  GLN A N   
1336 C  CA  . GLN A 82  ? 0.47534 0.33787 0.49209 -0.08085 -0.10262 0.06771  90  GLN A CA  
1337 C  C   . GLN A 82  ? 0.49850 0.32317 0.48152 -0.09697 -0.11877 0.06135  90  GLN A C   
1338 O  O   . GLN A 82  ? 0.49169 0.32660 0.47302 -0.09491 -0.13684 0.04108  90  GLN A O   
1339 C  CB  . GLN A 82  ? 0.50874 0.37419 0.51781 -0.07704 -0.09055 0.06233  90  GLN A CB  
1340 C  CG  . GLN A 82  ? 0.56298 0.43044 0.55333 -0.05126 -0.08624 0.07089  90  GLN A CG  
1341 C  CD  . GLN A 82  ? 0.60339 0.47839 0.58384 -0.02072 -0.08826 0.06914  90  GLN A CD  
1342 O  OE1 . GLN A 82  ? 0.58015 0.44786 0.55801 0.01121  -0.08108 0.07329  90  GLN A OE1 
1343 N  NE2 . GLN A 82  ? 0.62630 0.51072 0.59872 -0.02629 -0.08370 0.07741  90  GLN A NE2 
1352 N  N   . ASP A 83  ? 0.58055 0.37344 0.55399 -0.10891 -0.11487 0.07646  91  ASP A N   
1353 C  CA  . ASP A 83  ? 0.63309 0.40106 0.59605 -0.11101 -0.10653 0.07536  91  ASP A CA  
1354 C  C   . ASP A 83  ? 0.59684 0.41094 0.58526 -0.11185 -0.12593 0.04101  91  ASP A C   
1355 O  O   . ASP A 83  ? 0.58521 0.40201 0.55905 -0.13954 -0.12194 0.00389  91  ASP A O   
1356 C  CB  . ASP A 83  ? 0.70053 0.41826 0.65014 -0.09715 -0.07996 0.10036  91  ASP A CB  
1357 C  CG  . ASP A 83  ? 0.72151 0.42428 0.67482 -0.07626 -0.06199 0.12603  91  ASP A CG  
1358 O  OD1 . ASP A 83  ? 0.65516 0.35563 0.60264 -0.08043 -0.05545 0.15077  91  ASP A OD1 
1359 O  OD2 . ASP A 83  ? 0.74950 0.43869 0.71592 -0.05505 -0.06763 0.12835  91  ASP A OD2 
1364 N  N   . ASP A 84  ? 0.54468 0.40557 0.57447 -0.08924 -0.15427 0.04231  92  ASP A N   
1365 C  CA  . ASP A 84  ? 0.48454 0.37465 0.54053 -0.05584 -0.17019 0.02928  92  ASP A CA  
1366 C  C   . ASP A 84  ? 0.42835 0.34418 0.50004 -0.02035 -0.13450 0.01604  92  ASP A C   
1367 O  O   . ASP A 84  ? 0.41282 0.33173 0.52238 -0.01055 -0.12827 -0.01229 92  ASP A O   
1368 C  CB  . ASP A 84  ? 0.45521 0.35580 0.52476 -0.05744 -0.21444 0.03808  92  ASP A CB  
1369 C  CG  . ASP A 84  ? 0.45988 0.37092 0.53703 -0.06851 -0.23601 0.03211  92  ASP A CG  
1370 O  OD1 . ASP A 84  ? 0.50275 0.41039 0.57620 -0.07654 -0.25432 0.00809  92  ASP A OD1 
1371 O  OD2 . ASP A 84  ? 0.47008 0.35987 0.53311 -0.06676 -0.22416 0.05234  92  ASP A OD2 
1376 N  N   . TRP A 85  ? 0.31026 0.26083 0.36167 -0.00461 -0.11311 0.00777  93  TRP A N   
1377 C  CA  . TRP A 85  ? 0.28576 0.24451 0.32287 0.00564  -0.06842 0.01271  93  TRP A CA  
1378 C  C   . TRP A 85  ? 0.28308 0.27165 0.32660 0.00140  -0.05323 0.00849  93  TRP A C   
1379 O  O   . TRP A 85  ? 0.25671 0.25614 0.30171 0.01296  -0.05611 0.00529  93  TRP A O   
1380 C  CB  . TRP A 85  ? 0.26348 0.22653 0.30633 0.01274  -0.03641 -0.00028 93  TRP A CB  
1381 C  CG  . TRP A 85  ? 0.25210 0.21658 0.27460 0.00778  -0.01443 0.00151  93  TRP A CG  
1382 C  CD1 . TRP A 85  ? 0.24555 0.21488 0.26487 0.00250  -0.01436 -0.01894 93  TRP A CD1 
1383 C  CD2 . TRP A 85  ? 0.26153 0.23899 0.25887 0.00472  0.00041  -0.00436 93  TRP A CD2 
1384 N  NE1 . TRP A 85  ? 0.24928 0.21029 0.25484 -0.01772 -0.00553 -0.00363 93  TRP A NE1 
1385 C  CE2 . TRP A 85  ? 0.24914 0.21993 0.24225 -0.00267 -0.02045 -0.01065 93  TRP A CE2 
1386 C  CE3 . TRP A 85  ? 0.24776 0.24701 0.24416 0.00952  0.01671  -0.01445 93  TRP A CE3 
1387 C  CZ2 . TRP A 85  ? 0.26194 0.23709 0.25371 0.00086  -0.00464 -0.02221 93  TRP A CZ2 
1388 C  CZ3 . TRP A 85  ? 0.26636 0.26367 0.25533 -0.00656 0.01757  -0.01923 93  TRP A CZ3 
1389 C  CH2 . TRP A 85  ? 0.23333 0.22668 0.22976 -0.00280 0.00180  -0.04827 93  TRP A CH2 
1400 N  N   . GLU A 86  ? 0.27523 0.26234 0.31633 -0.02099 -0.06896 -0.00717 94  GLU A N   
1401 C  CA  . GLU A 86  ? 0.30753 0.27212 0.32541 -0.02998 -0.07790 -0.01230 94  GLU A CA  
1402 C  C   . GLU A 86  ? 0.27730 0.25249 0.28270 -0.01542 -0.07137 -0.00890 94  GLU A C   
1403 O  O   . GLU A 86  ? 0.25022 0.24462 0.26212 -0.02141 -0.09252 -0.01154 94  GLU A O   
1404 C  CB  . GLU A 86  ? 0.36908 0.32284 0.37521 -0.02994 -0.08773 -0.02213 94  GLU A CB  
1405 C  CG  . GLU A 86  ? 0.45120 0.39737 0.43917 -0.04005 -0.09045 -0.04562 94  GLU A CG  
1406 C  CD  . GLU A 86  ? 0.56723 0.50598 0.53488 -0.04923 -0.09210 -0.04348 94  GLU A CD  
1407 O  OE1 . GLU A 86  ? 0.56008 0.52353 0.54706 -0.06082 -0.08973 -0.05698 94  GLU A OE1 
1408 O  OE2 . GLU A 86  ? 0.63014 0.54873 0.57236 -0.05019 -0.09324 -0.03011 94  GLU A OE2 
1415 N  N   . SER A 87  ? 0.27767 0.24802 0.26706 0.00181  -0.04008 0.00698  95  SER A N   
1416 C  CA  . SER A 87  ? 0.26584 0.22857 0.23286 -0.00297 -0.02580 0.00157  95  SER A CA  
1417 C  C   . SER A 87  ? 0.24597 0.21159 0.22269 0.00293  -0.01534 0.00839  95  SER A C   
1418 O  O   . SER A 87  ? 0.23660 0.22601 0.21686 -0.00462 -0.00533 0.00856  95  SER A O   
1419 C  CB  . SER A 87  ? 0.25784 0.22502 0.21929 0.00202  -0.01759 -0.00718 95  SER A CB  
1420 O  OG  . SER A 87  ? 0.27012 0.28474 0.23748 -0.00237 -0.02109 -0.01150 95  SER A OG  
1426 N  N   . GLY A 88  ? 0.25313 0.20451 0.22214 0.02355  -0.02309 -0.01506 96  GLY A N   
1427 C  CA  . GLY A 88  ? 0.22874 0.18607 0.21357 0.00231  -0.01322 -0.03396 96  GLY A CA  
1428 C  C   . GLY A 88  ? 0.21928 0.19138 0.22999 0.00451  0.01203  -0.03133 96  GLY A C   
1429 O  O   . GLY A 88  ? 0.24397 0.22251 0.24503 0.00301  -0.00014 -0.00360 96  GLY A O   
1433 N  N   . LEU A 89  ? 0.22331 0.20953 0.25246 0.01219  0.01924  -0.04216 97  LEU A N   
1434 C  CA  . LEU A 89  ? 0.20133 0.20654 0.23257 0.02336  -0.00514 -0.05806 97  LEU A CA  
1435 C  C   . LEU A 89  ? 0.20508 0.22001 0.23459 -0.00476 -0.01999 -0.03603 97  LEU A C   
1436 O  O   . LEU A 89  ? 0.21985 0.24001 0.23284 -0.03440 -0.00653 -0.02868 97  LEU A O   
1437 C  CB  . LEU A 89  ? 0.22957 0.23190 0.26504 0.01669  -0.00302 -0.04364 97  LEU A CB  
1438 C  CG  . LEU A 89  ? 0.23809 0.26755 0.27452 -0.00020 -0.00353 -0.02767 97  LEU A CG  
1439 C  CD1 . LEU A 89  ? 0.21876 0.23948 0.24115 0.01062  -0.00864 -0.03039 97  LEU A CD1 
1440 C  CD2 . LEU A 89  ? 0.25013 0.28831 0.28696 -0.02588 0.03343  -0.01446 97  LEU A CD2 
1452 N  N   . HIS A 90  ? 0.19505 0.23459 0.23542 0.01564  -0.00738 -0.04096 98  HIS A N   
1453 C  CA  . HIS A 90  ? 0.21723 0.22455 0.24080 0.02871  -0.00031 -0.01906 98  HIS A CA  
1454 C  C   . HIS A 90  ? 0.22323 0.20187 0.21788 0.03589  -0.00728 -0.00422 98  HIS A C   
1455 O  O   . HIS A 90  ? 0.23984 0.20952 0.22745 0.03106  0.00254  -0.02278 98  HIS A O   
1456 C  CB  . HIS A 90  ? 0.22928 0.24183 0.27654 0.03232  -0.01211 -0.03508 98  HIS A CB  
1457 C  CG  . HIS A 90  ? 0.23388 0.25781 0.30523 0.04900  -0.00166 -0.05731 98  HIS A CG  
1458 N  ND1 . HIS A 90  ? 0.27808 0.28671 0.35696 0.04311  0.01025  -0.06514 98  HIS A ND1 
1459 C  CD2 . HIS A 90  ? 0.25970 0.28464 0.33395 0.04811  -0.00408 -0.05189 98  HIS A CD2 
1460 C  CE1 . HIS A 90  ? 0.29331 0.29366 0.37810 0.04575  0.00950  -0.05625 98  HIS A CE1 
1461 N  NE2 . HIS A 90  ? 0.27516 0.28312 0.35832 0.05310  -0.00212 -0.05240 98  HIS A NE2 
1469 N  N   . ALA A 91  ? 0.23099 0.21135 0.22255 0.01595  0.00393  -0.01348 99  ALA A N   
1470 C  CA  . ALA A 91  ? 0.22346 0.19630 0.22298 0.02980  0.00479  -0.02325 99  ALA A CA  
1471 C  C   . ALA A 91  ? 0.23325 0.20359 0.22185 0.01134  0.00419  -0.01615 99  ALA A C   
1472 O  O   . ALA A 91  ? 0.23011 0.18512 0.24290 0.00400  0.00628  -0.00405 99  ALA A O   
1473 C  CB  . ALA A 91  ? 0.21760 0.21802 0.22528 0.02008  0.02588  -0.00934 99  ALA A CB  
1479 N  N   . MET A 92  ? 0.22229 0.20910 0.20942 -0.00043 -0.01244 -0.01390 100 MET A N   
1480 C  CA  . MET A 92  ? 0.21028 0.21075 0.21409 -0.01847 -0.01083 -0.00737 100 MET A CA  
1481 C  C   . MET A 92  ? 0.22592 0.22412 0.21517 -0.01576 -0.00578 0.00625  100 MET A C   
1482 O  O   . MET A 92  ? 0.21104 0.22222 0.22531 -0.00787 -0.01068 0.01514  100 MET A O   
1483 C  CB  . MET A 92  ? 0.24100 0.24690 0.23964 -0.02204 0.00144  -0.01020 100 MET A CB  
1484 C  CG  . MET A 92  ? 0.26741 0.28078 0.26835 0.00121  -0.01203 -0.01032 100 MET A CG  
1485 S  SD  . MET A 92  ? 0.23598 0.25988 0.25870 0.02156  -0.00490 -0.00490 100 MET A SD  
1486 C  CE  . MET A 92  ? 0.26149 0.25336 0.26253 0.03086  -0.01985 -0.00405 100 MET A CE  
1496 N  N   . GLU A 93  ? 0.22683 0.22330 0.21277 -0.02078 -0.00428 0.00043  101 GLU A N   
1497 C  CA  . GLU A 93  ? 0.22658 0.21700 0.23192 -0.02027 0.00037  -0.00917 101 GLU A CA  
1498 C  C   . GLU A 93  ? 0.23877 0.22941 0.23239 0.00102  -0.00967 -0.01459 101 GLU A C   
1499 O  O   . GLU A 93  ? 0.22965 0.22427 0.22095 0.01735  -0.00717 -0.02083 101 GLU A O   
1500 C  CB  . GLU A 93  ? 0.21626 0.22234 0.25912 -0.03048 0.02739  -0.00203 101 GLU A CB  
1501 C  CG  . GLU A 93  ? 0.26940 0.28658 0.32316 -0.04463 0.02107  -0.00672 101 GLU A CG  
1502 C  CD  . GLU A 93  ? 0.36842 0.39848 0.45051 -0.03828 0.02985  -0.00736 101 GLU A CD  
1503 O  OE1 . GLU A 93  ? 0.43018 0.46819 0.52950 -0.03519 -0.00104 0.00200  101 GLU A OE1 
1504 O  OE2 . GLU A 93  ? 0.35160 0.40200 0.44531 -0.03534 0.06052  -0.03063 101 GLU A OE2 
1511 N  N   . CYS A 94  ? 0.23290 0.21600 0.20504 0.01853  -0.02685 -0.00556 102 CYS A N   
1512 C  CA  . CYS A 94  ? 0.24870 0.22619 0.22816 0.01331  -0.02550 -0.01414 102 CYS A CA  
1513 C  C   . CYS A 94  ? 0.22646 0.19589 0.18873 0.01864  -0.04321 -0.01256 102 CYS A C   
1514 O  O   . CYS A 94  ? 0.25222 0.21918 0.22016 0.00616  -0.03150 -0.01790 102 CYS A O   
1515 C  CB  . CYS A 94  ? 0.26406 0.23320 0.24183 0.02667  -0.02916 -0.00718 102 CYS A CB  
1516 S  SG  . CYS A 94  ? 0.29098 0.26491 0.27280 0.02518  -0.03801 0.00522  102 CYS A SG  
1522 N  N   . ALA A 95  ? 0.23333 0.20264 0.20296 0.02947  -0.01607 -0.01674 103 ALA A N   
1523 C  CA  . ALA A 95  ? 0.23514 0.22105 0.22359 0.01600  -0.00775 -0.01853 103 ALA A CA  
1524 C  C   . ALA A 95  ? 0.23573 0.23633 0.22333 0.00219  -0.00525 -0.01353 103 ALA A C   
1525 O  O   . ALA A 95  ? 0.22817 0.21821 0.19002 0.00464  -0.01929 -0.00192 103 ALA A O   
1526 C  CB  . ALA A 95  ? 0.24744 0.22004 0.21084 0.01294  -0.00207 -0.01346 103 ALA A CB  
1532 N  N   . LEU A 96  ? 0.24664 0.24262 0.21239 -0.00624 0.00280  -0.00634 104 LEU A N   
1533 C  CA  . LEU A 96  ? 0.24040 0.24868 0.22002 -0.02316 -0.01401 -0.01145 104 LEU A CA  
1534 C  C   . LEU A 96  ? 0.21876 0.22831 0.19836 -0.03339 -0.02331 -0.02915 104 LEU A C   
1535 O  O   . LEU A 96  ? 0.22931 0.23004 0.20906 -0.04086 -0.01526 -0.04295 104 LEU A O   
1536 C  CB  . LEU A 96  ? 0.23634 0.26518 0.22796 -0.03530 -0.01780 -0.01112 104 LEU A CB  
1537 C  CG  . LEU A 96  ? 0.26885 0.28627 0.23509 -0.02062 -0.00572 -0.01532 104 LEU A CG  
1538 C  CD1 . LEU A 96  ? 0.26855 0.29150 0.23485 -0.01676 -0.00575 -0.01194 104 LEU A CD1 
1539 C  CD2 . LEU A 96  ? 0.28418 0.29153 0.24719 -0.00648 0.00508  0.00594  104 LEU A CD2 
1551 N  N   . LEU A 97  ? 0.24737 0.27062 0.23953 0.02091  -0.01146 -0.02995 105 LEU A N   
1552 C  CA  . LEU A 97  ? 0.27204 0.28859 0.27151 0.03208  -0.01369 -0.03629 105 LEU A CA  
1553 C  C   . LEU A 97  ? 0.26234 0.25018 0.26531 0.01533  -0.01369 -0.02827 105 LEU A C   
1554 O  O   . LEU A 97  ? 0.24667 0.24876 0.27239 0.00570  -0.01306 -0.02840 105 LEU A O   
1555 C  CB  . LEU A 97  ? 0.29597 0.32217 0.29508 0.06613  -0.02160 -0.05667 105 LEU A CB  
1556 C  CG  . LEU A 97  ? 0.35066 0.41174 0.37127 0.08607  -0.02662 -0.05422 105 LEU A CG  
1557 C  CD1 . LEU A 97  ? 0.36952 0.45109 0.39269 0.09426  -0.01384 -0.05249 105 LEU A CD1 
1558 C  CD2 . LEU A 97  ? 0.35906 0.42746 0.38735 0.09695  -0.04562 -0.05475 105 LEU A CD2 
1570 N  N   . LEU A 98  ? 0.24843 0.20605 0.25289 0.01045  -0.01804 0.00396  106 LEU A N   
1571 C  CA  . LEU A 98  ? 0.24633 0.21409 0.24780 0.01061  -0.01659 -0.02351 106 LEU A CA  
1572 C  C   . LEU A 98  ? 0.24455 0.21445 0.24159 0.00035  -0.00715 -0.02930 106 LEU A C   
1573 O  O   . LEU A 98  ? 0.27037 0.21079 0.24447 -0.02130 0.00163  -0.02539 106 LEU A O   
1574 C  CB  . LEU A 98  ? 0.28437 0.24161 0.27570 -0.02355 -0.00047 -0.01251 106 LEU A CB  
1575 C  CG  . LEU A 98  ? 0.31193 0.26523 0.29313 -0.02911 -0.01639 -0.00280 106 LEU A CG  
1576 C  CD1 . LEU A 98  ? 0.33250 0.30034 0.32877 -0.01278 -0.04721 0.01401  106 LEU A CD1 
1577 C  CD2 . LEU A 98  ? 0.31731 0.27939 0.28401 -0.03134 -0.02754 -0.00241 106 LEU A CD2 
1589 N  N   . GLU A 99  ? 0.23945 0.21688 0.24981 -0.00717 -0.00556 -0.03138 107 GLU A N   
1590 C  CA  . GLU A 99  ? 0.24726 0.21966 0.24835 -0.00568 -0.00918 -0.01634 107 GLU A CA  
1591 C  C   . GLU A 99  ? 0.23576 0.20759 0.22831 -0.01091 -0.02838 -0.01248 107 GLU A C   
1592 O  O   . GLU A 99  ? 0.23468 0.20011 0.22200 -0.02883 -0.02270 -0.01035 107 GLU A O   
1593 C  CB  . GLU A 99  ? 0.26437 0.25255 0.26742 -0.01266 -0.01299 -0.02647 107 GLU A CB  
1594 C  CG  . GLU A 99  ? 0.30125 0.34243 0.30648 -0.03358 -0.00298 -0.02145 107 GLU A CG  
1595 C  CD  . GLU A 99  ? 0.35973 0.42606 0.33339 -0.05295 0.02422  -0.03895 107 GLU A CD  
1596 O  OE1 . GLU A 99  ? 0.37644 0.44547 0.33793 -0.07197 0.01974  -0.01960 107 GLU A OE1 
1597 O  OE2 . GLU A 99  ? 0.39816 0.47325 0.34900 -0.05182 0.01805  -0.01595 107 GLU A OE2 
1604 N  N   . LYS A 100 ? 0.25918 0.22571 0.22642 -0.00117 -0.01369 -0.02481 108 LYS A N   
1605 C  CA  . LYS A 100 ? 0.27028 0.25186 0.25027 -0.00992 -0.01604 -0.02575 108 LYS A CA  
1606 C  C   . LYS A 100 ? 0.25543 0.23781 0.23630 -0.00101 -0.04594 -0.04620 108 LYS A C   
1607 O  O   . LYS A 100 ? 0.25620 0.25287 0.25910 0.00846  -0.03943 -0.06156 108 LYS A O   
1608 C  CB  . LYS A 100 ? 0.27105 0.28568 0.26267 -0.02606 0.00134  -0.02517 108 LYS A CB  
1609 C  CG  . LYS A 100 ? 0.28314 0.32979 0.29980 -0.02429 0.01539  -0.03592 108 LYS A CG  
1610 C  CD  . LYS A 100 ? 0.28377 0.34500 0.33521 -0.05430 0.02910  -0.02588 108 LYS A CD  
1611 C  CE  . LYS A 100 ? 0.32624 0.41586 0.39594 -0.05851 0.02724  -0.02489 108 LYS A CE  
1612 N  NZ  . LYS A 100 ? 0.34876 0.44544 0.42944 -0.07280 0.03519  -0.01413 108 LYS A NZ  
1626 N  N   . ASN A 101 ? 0.26005 0.23360 0.22983 0.01306  -0.05663 -0.04702 109 ASN A N   
1627 C  CA  . ASN A 101 ? 0.29628 0.27031 0.26531 0.01855  -0.05237 -0.04002 109 ASN A CA  
1628 C  C   . ASN A 101 ? 0.29275 0.25498 0.24986 0.00434  -0.05519 -0.03508 109 ASN A C   
1629 O  O   . ASN A 101 ? 0.30064 0.26973 0.27121 -0.00354 -0.07151 -0.03262 109 ASN A O   
1630 C  CB  . ASN A 101 ? 0.31057 0.30431 0.30851 0.04182  -0.06337 -0.02915 109 ASN A CB  
1631 C  CG  . ASN A 101 ? 0.37038 0.37891 0.36856 0.06056  -0.06276 -0.03588 109 ASN A CG  
1632 O  OD1 . ASN A 101 ? 0.41992 0.44382 0.42249 0.05544  -0.06148 -0.02195 109 ASN A OD1 
1633 N  ND2 . ASN A 101 ? 0.39549 0.39574 0.38920 0.06874  -0.06145 -0.05625 109 ASN A ND2 
1640 N  N   . VAL A 102 ? 0.26352 0.21689 0.21347 -0.00751 -0.05319 -0.04125 110 VAL A N   
1641 C  CA  . VAL A 102 ? 0.25693 0.21372 0.21301 -0.02347 -0.04879 -0.01936 110 VAL A CA  
1642 C  C   . VAL A 102 ? 0.25490 0.21319 0.23227 -0.01445 -0.04979 -0.02835 110 VAL A C   
1643 O  O   . VAL A 102 ? 0.28205 0.20985 0.24079 0.00667  -0.05945 -0.04355 110 VAL A O   
1644 C  CB  . VAL A 102 ? 0.27715 0.26078 0.23839 -0.04117 -0.04170 -0.00499 110 VAL A CB  
1645 C  CG1 . VAL A 102 ? 0.33283 0.32067 0.27532 -0.04080 -0.03788 -0.00235 110 VAL A CG1 
1646 C  CG2 . VAL A 102 ? 0.27598 0.27090 0.25389 -0.05572 -0.04817 0.02938  110 VAL A CG2 
1656 N  N   . ASN A 103 ? 0.25657 0.23558 0.25896 -0.00272 -0.05055 -0.01628 111 ASN A N   
1657 C  CA  . ASN A 103 ? 0.24473 0.21356 0.23894 0.00384  -0.03832 -0.00866 111 ASN A CA  
1658 C  C   . ASN A 103 ? 0.23993 0.22753 0.21789 0.00361  -0.02902 -0.00434 111 ASN A C   
1659 O  O   . ASN A 103 ? 0.25898 0.23470 0.22592 0.00380  -0.02712 -0.01488 111 ASN A O   
1660 C  CB  . ASN A 103 ? 0.27532 0.22699 0.24394 0.01225  -0.02541 -0.00520 111 ASN A CB  
1661 C  CG  . ASN A 103 ? 0.30287 0.24192 0.25402 0.01156  -0.02412 -0.01190 111 ASN A CG  
1662 O  OD1 . ASN A 103 ? 0.30563 0.23229 0.23616 0.01007  -0.01572 -0.00178 111 ASN A OD1 
1663 N  ND2 . ASN A 103 ? 0.33335 0.27403 0.29310 0.01978  -0.02118 -0.02043 111 ASN A ND2 
1670 N  N   . GLN A 104 ? 0.25374 0.25371 0.22984 0.00972  -0.01459 0.00706  112 GLN A N   
1671 C  CA  . GLN A 104 ? 0.27327 0.27907 0.25804 -0.00677 -0.00678 -0.02046 112 GLN A CA  
1672 C  C   . GLN A 104 ? 0.26136 0.22643 0.23415 -0.00207 -0.00237 -0.02701 112 GLN A C   
1673 O  O   . GLN A 104 ? 0.25902 0.21407 0.24429 -0.01098 0.00899  -0.03939 112 GLN A O   
1674 C  CB  . GLN A 104 ? 0.29192 0.33326 0.29981 -0.00340 0.01279  -0.04653 112 GLN A CB  
1675 C  CG  . GLN A 104 ? 0.37805 0.42005 0.37466 -0.02234 0.02970  -0.06505 112 GLN A CG  
1676 C  CD  . GLN A 104 ? 0.48131 0.52565 0.45875 -0.05157 0.04473  -0.07233 112 GLN A CD  
1677 O  OE1 . GLN A 104 ? 0.52802 0.58037 0.51316 -0.06764 0.06366  -0.05147 112 GLN A OE1 
1678 N  NE2 . GLN A 104 ? 0.53807 0.56577 0.50129 -0.04874 0.04834  -0.07556 112 GLN A NE2 
1687 N  N   . SER A 105 ? 0.26089 0.20424 0.22077 0.00877  -0.00055 -0.03363 113 SER A N   
1688 C  CA  . SER A 105 ? 0.27533 0.20217 0.21945 0.02479  -0.00151 -0.01092 113 SER A CA  
1689 C  C   . SER A 105 ? 0.25950 0.19767 0.20689 0.03028  -0.01075 -0.02184 113 SER A C   
1690 O  O   . SER A 105 ? 0.23764 0.20799 0.22429 0.02923  -0.00169 -0.04083 113 SER A O   
1691 C  CB  . SER A 105 ? 0.29885 0.22382 0.25671 0.02376  0.02804  0.01716  113 SER A CB  
1692 O  OG  . SER A 105 ? 0.34022 0.28558 0.32852 0.02561  0.01285  -0.00187 113 SER A OG  
1698 N  N   . LEU A 106 ? 0.24369 0.20007 0.20517 0.02525  -0.03430 -0.02989 114 LEU A N   
1699 C  CA  . LEU A 106 ? 0.25189 0.21904 0.20551 -0.00438 -0.02674 -0.03166 114 LEU A CA  
1700 C  C   . LEU A 106 ? 0.23178 0.20028 0.19995 -0.01308 -0.02133 -0.05575 114 LEU A C   
1701 O  O   . LEU A 106 ? 0.23569 0.22431 0.21367 -0.01319 -0.01961 -0.05041 114 LEU A O   
1702 C  CB  . LEU A 106 ? 0.24480 0.21991 0.20152 -0.00425 -0.01842 -0.03495 114 LEU A CB  
1703 C  CG  . LEU A 106 ? 0.22387 0.22600 0.20115 0.02095  -0.02097 -0.03467 114 LEU A CG  
1704 C  CD1 . LEU A 106 ? 0.25150 0.25741 0.23190 0.02918  -0.00864 -0.03737 114 LEU A CD1 
1705 C  CD2 . LEU A 106 ? 0.23637 0.24259 0.21144 0.04615  -0.01383 -0.02200 114 LEU A CD2 
1717 N  N   . LEU A 107 ? 0.26376 0.23040 0.22415 -0.00665 -0.00557 -0.03293 115 LEU A N   
1718 C  CA  . LEU A 107 ? 0.24166 0.24286 0.23624 0.01192  -0.00258 -0.03720 115 LEU A CA  
1719 C  C   . LEU A 107 ? 0.22751 0.25676 0.24628 -0.00105 -0.01289 -0.04510 115 LEU A C   
1720 O  O   . LEU A 107 ? 0.23323 0.25550 0.24811 -0.01838 -0.01844 -0.04968 115 LEU A O   
1721 C  CB  . LEU A 107 ? 0.23291 0.23761 0.23081 -0.00447 -0.00952 -0.01868 115 LEU A CB  
1722 C  CG  . LEU A 107 ? 0.26175 0.26567 0.26322 -0.00517 -0.00527 0.01012  115 LEU A CG  
1723 C  CD1 . LEU A 107 ? 0.28288 0.28039 0.28713 -0.02300 -0.01338 0.02589  115 LEU A CD1 
1724 C  CD2 . LEU A 107 ? 0.26275 0.24487 0.24036 0.00342  0.00592  0.01803  115 LEU A CD2 
1736 N  N   . GLU A 108 ? 0.21406 0.26119 0.25402 0.00858  0.00347  -0.04742 116 GLU A N   
1737 C  CA  . GLU A 108 ? 0.23092 0.26396 0.26522 0.01154  0.00121  -0.05024 116 GLU A CA  
1738 C  C   . GLU A 108 ? 0.24484 0.24738 0.23965 0.01568  -0.00534 -0.04677 116 GLU A C   
1739 O  O   . GLU A 108 ? 0.25833 0.26598 0.24252 -0.01100 -0.00881 -0.04789 116 GLU A O   
1740 C  CB  . GLU A 108 ? 0.26433 0.31658 0.32222 0.02254  -0.00183 -0.03516 116 GLU A CB  
1741 C  CG  . GLU A 108 ? 0.30426 0.41906 0.39634 0.03659  0.00456  -0.00793 116 GLU A CG  
1742 C  CD  . GLU A 108 ? 0.34120 0.51502 0.46851 0.04237  0.00435  0.01175  116 GLU A CD  
1743 O  OE1 . GLU A 108 ? 0.36164 0.54882 0.49139 0.05491  -0.00552 0.03579  116 GLU A OE1 
1744 O  OE2 . GLU A 108 ? 0.35095 0.55301 0.50377 0.03737  0.00207  -0.00169 116 GLU A OE2 
1751 N  N   . LEU A 109 ? 0.25358 0.25051 0.20529 0.01397  0.00632  -0.03570 117 LEU A N   
1752 C  CA  . LEU A 109 ? 0.25380 0.25859 0.23060 0.01907  0.03266  -0.03374 117 LEU A CA  
1753 C  C   . LEU A 109 ? 0.24886 0.24446 0.22397 -0.00755 0.01859  -0.04460 117 LEU A C   
1754 O  O   . LEU A 109 ? 0.24731 0.21329 0.22270 -0.03066 -0.00227 -0.05019 117 LEU A O   
1755 C  CB  . LEU A 109 ? 0.27194 0.28397 0.25141 0.02393  0.05998  -0.01630 117 LEU A CB  
1756 C  CG  . LEU A 109 ? 0.32900 0.33155 0.28587 0.00579  0.09076  -0.01810 117 LEU A CG  
1757 C  CD1 . LEU A 109 ? 0.33661 0.35798 0.30747 0.01185  0.10247  -0.01316 117 LEU A CD1 
1758 C  CD2 . LEU A 109 ? 0.34830 0.34793 0.28947 -0.00527 0.09983  -0.02803 117 LEU A CD2 
1770 N  N   . HIS A 110 ? 0.24670 0.25955 0.21782 -0.00899 0.02260  -0.03713 118 HIS A N   
1771 C  CA  . HIS A 110 ? 0.23826 0.22214 0.21209 -0.02894 0.01346  -0.03525 118 HIS A CA  
1772 C  C   . HIS A 110 ? 0.24933 0.25022 0.23041 -0.01942 0.01668  -0.04316 118 HIS A C   
1773 O  O   . HIS A 110 ? 0.24800 0.24701 0.24352 -0.00849 -0.00007 -0.04312 118 HIS A O   
1774 C  CB  . HIS A 110 ? 0.26726 0.22540 0.22436 -0.02446 0.01830  -0.01283 118 HIS A CB  
1775 C  CG  . HIS A 110 ? 0.27929 0.22820 0.22487 -0.01499 0.00742  0.01477  118 HIS A CG  
1776 N  ND1 . HIS A 110 ? 0.31584 0.26219 0.25066 -0.02708 -0.00612 0.00967  118 HIS A ND1 
1777 C  CD2 . HIS A 110 ? 0.29471 0.24005 0.22952 -0.02757 -0.01628 0.02380  118 HIS A CD2 
1778 C  CE1 . HIS A 110 ? 0.29597 0.23977 0.21840 -0.03967 -0.01478 0.02233  118 HIS A CE1 
1779 N  NE2 . HIS A 110 ? 0.30164 0.23935 0.22999 -0.03962 -0.04368 0.01674  118 HIS A NE2 
1787 N  N   . ALA A 111 ? 0.24765 0.25967 0.22664 -0.01686 0.03669  -0.05517 119 ALA A N   
1788 C  CA  . ALA A 111 ? 0.26489 0.27035 0.25685 -0.01795 0.04403  -0.05193 119 ALA A CA  
1789 C  C   . ALA A 111 ? 0.27476 0.27140 0.23338 -0.00529 0.03339  -0.04424 119 ALA A C   
1790 O  O   . ALA A 111 ? 0.28768 0.27333 0.25528 0.00671  0.01585  -0.05152 119 ALA A O   
1791 C  CB  . ALA A 111 ? 0.24929 0.27512 0.27096 -0.02842 0.05369  -0.04613 119 ALA A CB  
1797 N  N   . LEU A 112 ? 0.25897 0.26253 0.21011 0.01206  0.02055  -0.04274 120 LEU A N   
1798 C  CA  . LEU A 112 ? 0.27840 0.27825 0.24474 0.01819  0.02062  -0.04124 120 LEU A CA  
1799 C  C   . LEU A 112 ? 0.25786 0.26219 0.22555 0.00557  -0.00005 -0.06117 120 LEU A C   
1800 O  O   . LEU A 112 ? 0.27571 0.28298 0.24159 -0.00141 -0.01102 -0.06671 120 LEU A O   
1801 C  CB  . LEU A 112 ? 0.30094 0.27806 0.25622 0.02342  0.02712  -0.04042 120 LEU A CB  
1802 C  CG  . LEU A 112 ? 0.36823 0.29735 0.29151 0.01119  0.02494  -0.03733 120 LEU A CG  
1803 C  CD1 . LEU A 112 ? 0.40345 0.31711 0.31785 0.02306  0.01914  -0.03266 120 LEU A CD1 
1804 C  CD2 . LEU A 112 ? 0.39689 0.30437 0.30594 -0.01172 0.03305  -0.04147 120 LEU A CD2 
1816 N  N   . ALA A 113 ? 0.26376 0.26662 0.23870 0.00939  0.00822  -0.05011 121 ALA A N   
1817 C  CA  . ALA A 113 ? 0.24474 0.26409 0.22660 -0.00930 0.00816  -0.05729 121 ALA A CA  
1818 C  C   . ALA A 113 ? 0.24756 0.27941 0.22619 -0.03312 0.01089  -0.06221 121 ALA A C   
1819 O  O   . ALA A 113 ? 0.25932 0.29969 0.24272 -0.04310 0.01153  -0.06967 121 ALA A O   
1820 C  CB  . ALA A 113 ? 0.25099 0.29031 0.24046 0.01361  0.00651  -0.03041 121 ALA A CB  
1826 N  N   . SER A 114 ? 0.29899 0.30693 0.25934 -0.03479 0.02070  -0.04887 122 SER A N   
1827 C  CA  . SER A 114 ? 0.30512 0.31751 0.25235 -0.01758 0.01614  -0.04999 122 SER A CA  
1828 C  C   . SER A 114 ? 0.28573 0.30351 0.21101 -0.01313 0.00937  -0.07148 122 SER A C   
1829 O  O   . SER A 114 ? 0.29757 0.35095 0.21614 -0.00061 -0.00871 -0.07674 122 SER A O   
1830 C  CB  . SER A 114 ? 0.33026 0.34624 0.30102 -0.02569 0.00550  -0.06176 122 SER A CB  
1831 O  OG  . SER A 114 ? 0.34121 0.37572 0.30628 -0.04688 -0.01262 -0.04133 122 SER A OG  
1837 N  N   . ASP A 115 ? 0.30876 0.32020 0.26552 0.00483  0.00650  -0.06947 123 ASP A N   
1838 C  CA  . ASP A 115 ? 0.32255 0.32412 0.28905 0.00306  -0.00639 -0.09813 123 ASP A CA  
1839 C  C   . ASP A 115 ? 0.34048 0.32452 0.30893 -0.00206 -0.00288 -0.10075 123 ASP A C   
1840 O  O   . ASP A 115 ? 0.35225 0.31478 0.30252 -0.00624 0.03076  -0.11759 123 ASP A O   
1841 C  CB  . ASP A 115 ? 0.34278 0.35416 0.33028 0.01162  -0.00763 -0.11168 123 ASP A CB  
1842 C  CG  . ASP A 115 ? 0.43662 0.45649 0.44609 0.01777  -0.02194 -0.10611 123 ASP A CG  
1843 O  OD1 . ASP A 115 ? 0.46990 0.50486 0.49375 0.00561  -0.02380 -0.10747 123 ASP A OD1 
1844 O  OD2 . ASP A 115 ? 0.48688 0.51134 0.51361 0.02644  -0.01296 -0.10020 123 ASP A OD2 
1849 N  N   . LYS A 116 ? 0.29425 0.28702 0.29099 -0.01225 -0.00988 -0.08452 124 LYS A N   
1850 C  CA  . LYS A 116 ? 0.29269 0.27663 0.30202 -0.02091 -0.01344 -0.07902 124 LYS A CA  
1851 C  C   . LYS A 116 ? 0.30271 0.30510 0.31451 -0.00315 0.00003  -0.06116 124 LYS A C   
1852 O  O   . LYS A 116 ? 0.32234 0.32382 0.34683 -0.00704 -0.00507 -0.03792 124 LYS A O   
1853 C  CB  . LYS A 116 ? 0.30712 0.29646 0.32214 -0.03537 -0.03013 -0.07551 124 LYS A CB  
1854 C  CG  . LYS A 116 ? 0.34457 0.34553 0.38301 -0.02247 -0.04048 -0.07896 124 LYS A CG  
1855 C  CD  . LYS A 116 ? 0.41524 0.43665 0.46642 -0.00020 -0.04973 -0.08616 124 LYS A CD  
1856 C  CE  . LYS A 116 ? 0.44923 0.47646 0.50596 0.02289  -0.04176 -0.10500 124 LYS A CE  
1857 N  NZ  . LYS A 116 ? 0.47991 0.51225 0.53683 0.03337  -0.04231 -0.10797 124 LYS A NZ  
1871 N  N   . GLY A 117 ? 0.27874 0.30456 0.27866 0.00939  0.00815  -0.08048 125 GLY A N   
1872 C  CA  . GLY A 117 ? 0.26883 0.32003 0.27032 -0.01141 -0.01044 -0.07476 125 GLY A CA  
1873 C  C   . GLY A 117 ? 0.26728 0.30492 0.26711 -0.01818 -0.02034 -0.07276 125 GLY A C   
1874 O  O   . GLY A 117 ? 0.26121 0.31857 0.27187 -0.03764 -0.01723 -0.07350 125 GLY A O   
1878 N  N   . ASP A 118 ? 0.26321 0.27981 0.24484 -0.00585 -0.01191 -0.05149 126 ASP A N   
1879 C  CA  . ASP A 118 ? 0.25090 0.26600 0.23140 -0.01659 -0.01575 -0.02415 126 ASP A CA  
1880 C  C   . ASP A 118 ? 0.25236 0.26844 0.24521 -0.02037 -0.00011 -0.02278 126 ASP A C   
1881 O  O   . ASP A 118 ? 0.23090 0.23941 0.25197 -0.02916 0.03126  -0.01279 126 ASP A O   
1882 C  CB  . ASP A 118 ? 0.26113 0.27296 0.22727 -0.02302 -0.00306 -0.01365 126 ASP A CB  
1883 C  CG  . ASP A 118 ? 0.30701 0.29587 0.25852 -0.01538 0.00267  -0.00472 126 ASP A CG  
1884 O  OD1 . ASP A 118 ? 0.27539 0.28468 0.26789 -0.02331 0.00235  0.00132  126 ASP A OD1 
1885 O  OD2 . ASP A 118 ? 0.36730 0.31821 0.27462 0.00657  0.01196  0.00257  126 ASP A OD2 
1890 N  N   . PRO A 119 ? 0.24586 0.25696 0.24233 -0.01226 -0.00909 -0.02103 127 PRO A N   
1891 C  CA  . PRO A 119 ? 0.24634 0.27508 0.25031 0.00309  -0.02162 -0.01164 127 PRO A CA  
1892 C  C   . PRO A 119 ? 0.25283 0.26643 0.25063 -0.01019 -0.01525 0.00244  127 PRO A C   
1893 O  O   . PRO A 119 ? 0.26036 0.26602 0.25346 -0.00997 -0.01450 -0.00389 127 PRO A O   
1894 C  CB  . PRO A 119 ? 0.20482 0.28337 0.23414 0.00739  -0.01511 -0.00787 127 PRO A CB  
1895 C  CG  . PRO A 119 ? 0.21258 0.28474 0.24965 0.00397  -0.01454 -0.02611 127 PRO A CG  
1896 C  CD  . PRO A 119 ? 0.22090 0.25750 0.24782 -0.01243 -0.01271 -0.01959 127 PRO A CD  
1904 N  N   . HIS A 120 ? 0.22592 0.22729 0.20613 -0.01790 -0.01947 0.01075  128 HIS A N   
1905 C  CA  . HIS A 120 ? 0.21889 0.23085 0.21525 -0.01845 -0.00972 0.00567  128 HIS A CA  
1906 C  C   . HIS A 120 ? 0.23357 0.22398 0.20961 0.00458  -0.00359 0.00472  128 HIS A C   
1907 O  O   . HIS A 120 ? 0.25198 0.22672 0.22023 0.00797  0.00195  0.01149  128 HIS A O   
1908 C  CB  . HIS A 120 ? 0.25039 0.25900 0.22330 -0.00812 0.00098  -0.00335 128 HIS A CB  
1909 C  CG  . HIS A 120 ? 0.23716 0.25950 0.19000 -0.00734 0.00622  0.00537  128 HIS A CG  
1910 N  ND1 . HIS A 120 ? 0.25189 0.26706 0.17839 0.00538  0.00157  0.00503  128 HIS A ND1 
1911 C  CD2 . HIS A 120 ? 0.27276 0.27821 0.20783 0.00053  -0.00112 0.00854  128 HIS A CD2 
1912 C  CE1 . HIS A 120 ? 0.25763 0.25929 0.17574 0.03026  -0.01439 -0.00092 128 HIS A CE1 
1913 N  NE2 . HIS A 120 ? 0.26652 0.27641 0.19183 0.01803  -0.00408 0.00294  128 HIS A NE2 
1921 N  N   . LEU A 121 ? 0.22594 0.22755 0.19854 0.00878  0.01753  -0.00707 129 LEU A N   
1922 C  CA  . LEU A 121 ? 0.22737 0.24897 0.21415 0.00655  0.00013  0.00023  129 LEU A CA  
1923 C  C   . LEU A 121 ? 0.24950 0.24046 0.20967 0.00750  -0.02297 0.01338  129 LEU A C   
1924 O  O   . LEU A 121 ? 0.23882 0.22099 0.19616 0.00158  -0.03603 -0.00583 129 LEU A O   
1925 C  CB  . LEU A 121 ? 0.22013 0.25340 0.21938 0.00240  0.01460  -0.01069 129 LEU A CB  
1926 C  CG  . LEU A 121 ? 0.25927 0.28187 0.25486 0.01098  0.01121  0.00746  129 LEU A CG  
1927 C  CD1 . LEU A 121 ? 0.25292 0.29713 0.24353 -0.00248 0.00052  0.03176  129 LEU A CD1 
1928 C  CD2 . LEU A 121 ? 0.27538 0.26161 0.26190 0.01427  0.02095  0.00794  129 LEU A CD2 
1940 N  N   . CYS A 122 ? 0.26129 0.25392 0.22306 -0.01779 -0.02346 0.02060  130 CYS A N   
1941 C  CA  . CYS A 122 ? 0.28795 0.28154 0.24770 -0.03794 -0.01243 0.00745  130 CYS A CA  
1942 C  C   . CYS A 122 ? 0.25929 0.24265 0.23436 -0.04706 -0.01563 0.01600  130 CYS A C   
1943 O  O   . CYS A 122 ? 0.27258 0.23857 0.23803 -0.03907 -0.02982 -0.00595 130 CYS A O   
1944 C  CB  . CYS A 122 ? 0.29753 0.30388 0.24955 -0.04312 -0.00570 0.00742  130 CYS A CB  
1945 S  SG  . CYS A 122 ? 0.29956 0.34703 0.26936 -0.04546 0.01330  0.00043  130 CYS A SG  
1951 N  N   . ASP A 123 ? 0.24439 0.21667 0.24072 -0.02698 -0.04939 0.02678  131 ASP A N   
1952 C  CA  . ASP A 123 ? 0.24473 0.22525 0.24747 -0.03242 -0.06906 0.02487  131 ASP A CA  
1953 C  C   . ASP A 123 ? 0.27615 0.24578 0.27312 -0.01767 -0.03891 0.02232  131 ASP A C   
1954 O  O   . ASP A 123 ? 0.26440 0.23853 0.26907 -0.03322 -0.06315 0.03616  131 ASP A O   
1955 C  CB  . ASP A 123 ? 0.30207 0.25689 0.28710 -0.02398 -0.08565 0.01698  131 ASP A CB  
1956 C  CG  . ASP A 123 ? 0.36759 0.27506 0.35031 0.00960  -0.10090 0.02281  131 ASP A CG  
1957 O  OD1 . ASP A 123 ? 0.39511 0.27563 0.35567 0.01715  -0.13856 0.03450  131 ASP A OD1 
1958 O  OD2 . ASP A 123 ? 0.38629 0.29205 0.40072 0.05039  -0.07469 -0.01244 131 ASP A OD2 
1963 N  N   . PHE A 124 ? 0.24782 0.21453 0.22618 0.00291  -0.02120 0.01184  132 PHE A N   
1964 C  CA  . PHE A 124 ? 0.24938 0.21375 0.21913 -0.00629 -0.01018 0.02483  132 PHE A CA  
1965 C  C   . PHE A 124 ? 0.25071 0.21994 0.23713 0.00597  -0.00953 0.01304  132 PHE A C   
1966 O  O   . PHE A 124 ? 0.25013 0.22443 0.24412 0.00802  -0.00026 0.01403  132 PHE A O   
1967 C  CB  . PHE A 124 ? 0.27566 0.23238 0.22743 -0.00015 0.00869  0.02867  132 PHE A CB  
1968 C  CG  . PHE A 124 ? 0.31921 0.26306 0.26056 -0.00115 0.02521  0.02236  132 PHE A CG  
1969 C  CD1 . PHE A 124 ? 0.35201 0.29114 0.29078 0.00953  0.03829  0.00944  132 PHE A CD1 
1970 C  CD2 . PHE A 124 ? 0.33598 0.27097 0.24801 -0.00947 0.01975  0.02272  132 PHE A CD2 
1971 C  CE1 . PHE A 124 ? 0.36114 0.30854 0.30053 0.00175  0.03048  0.01283  132 PHE A CE1 
1972 C  CE2 . PHE A 124 ? 0.37086 0.30876 0.27711 -0.01188 0.02156  0.01984  132 PHE A CE2 
1973 C  CZ  . PHE A 124 ? 0.34828 0.28384 0.25943 -0.01473 0.03875  0.02304  132 PHE A CZ  
1983 N  N   . LEU A 125 ? 0.21469 0.19538 0.23308 -0.00106 -0.03283 0.01066  133 LEU A N   
1984 C  CA  . LEU A 125 ? 0.22485 0.20826 0.23580 -0.00571 -0.02518 0.00167  133 LEU A CA  
1985 C  C   . LEU A 125 ? 0.21844 0.19387 0.24620 0.00657  -0.03166 -0.02256 133 LEU A C   
1986 O  O   . LEU A 125 ? 0.21644 0.20308 0.23818 -0.01623 -0.02028 -0.03692 133 LEU A O   
1987 C  CB  . LEU A 125 ? 0.24234 0.23083 0.23414 -0.01637 -0.02277 0.01027  133 LEU A CB  
1988 C  CG  . LEU A 125 ? 0.27307 0.25145 0.24287 -0.00050 -0.02521 0.00866  133 LEU A CG  
1989 C  CD1 . LEU A 125 ? 0.28744 0.25470 0.25351 0.00733  -0.02576 -0.00856 133 LEU A CD1 
1990 C  CD2 . LEU A 125 ? 0.27991 0.25738 0.23687 -0.00300 -0.03932 0.04120  133 LEU A CD2 
2002 N  N   . GLU A 126 ? 0.28266 0.22949 0.28592 0.00440  -0.04102 -0.00061 134 GLU A N   
2003 C  CA  . GLU A 126 ? 0.29611 0.21804 0.30818 -0.01401 -0.05250 0.00244  134 GLU A CA  
2004 C  C   . GLU A 126 ? 0.26998 0.18087 0.34443 -0.01871 -0.02083 0.00537  134 GLU A C   
2005 O  O   . GLU A 126 ? 0.31031 0.21607 0.40690 -0.02482 0.00918  0.00475  134 GLU A O   
2006 C  CB  . GLU A 126 ? 0.31317 0.22645 0.28438 -0.03125 -0.10128 0.02367  134 GLU A CB  
2007 C  CG  . GLU A 126 ? 0.40319 0.25287 0.30902 -0.01328 -0.11407 0.00241  134 GLU A CG  
2008 C  CD  . GLU A 126 ? 0.42845 0.26852 0.29099 0.01439  -0.13328 0.00661  134 GLU A CD  
2009 O  OE1 . GLU A 126 ? 0.47201 0.32509 0.32177 0.04414  -0.16464 -0.01168 134 GLU A OE1 
2010 O  OE2 . GLU A 126 ? 0.47573 0.30413 0.30952 -0.00369 -0.08374 0.02382  134 GLU A OE2 
2017 N  N   . THR A 127 ? 0.25946 0.18918 0.37276 0.01158  -0.02197 0.01683  135 THR A N   
2018 C  CA  . THR A 127 ? 0.27058 0.19447 0.41666 0.01273  -0.03042 0.01368  135 THR A CA  
2019 C  C   . THR A 127 ? 0.27950 0.19852 0.40449 0.01338  -0.00652 0.00980  135 THR A C   
2020 O  O   . THR A 127 ? 0.31822 0.21966 0.42398 0.02463  -0.01312 -0.00435 135 THR A O   
2021 C  CB  . THR A 127 ? 0.30999 0.26027 0.50003 0.02370  -0.04625 -0.00281 135 THR A CB  
2022 O  OG1 . THR A 127 ? 0.33153 0.30381 0.53648 0.00310  -0.09347 -0.00872 135 THR A OG1 
2023 C  CG2 . THR A 127 ? 0.32163 0.27930 0.53638 0.02260  -0.04625 -0.00255 135 THR A CG2 
2031 N  N   . TYR A 128 ? 0.25337 0.22549 0.38024 0.00806  0.00997  0.01768  136 TYR A N   
2032 C  CA  . TYR A 128 ? 0.27512 0.26406 0.36823 0.00784  0.02603  0.01319  136 TYR A CA  
2033 C  C   . TYR A 128 ? 0.29294 0.26766 0.31525 -0.00866 0.02192  0.00644  136 TYR A C   
2034 O  O   . TYR A 128 ? 0.30544 0.27619 0.30402 -0.00817 0.04641  -0.01632 136 TYR A O   
2035 C  CB  . TYR A 128 ? 0.28560 0.29693 0.40685 0.00296  0.03455  -0.01003 136 TYR A CB  
2036 C  CG  . TYR A 128 ? 0.28886 0.33525 0.45195 0.01613  0.05041  -0.01685 136 TYR A CG  
2037 C  CD1 . TYR A 128 ? 0.29529 0.36406 0.48863 0.01822  0.04642  -0.01735 136 TYR A CD1 
2038 C  CD2 . TYR A 128 ? 0.26876 0.34947 0.46664 0.00594  0.05412  -0.02427 136 TYR A CD2 
2039 C  CE1 . TYR A 128 ? 0.30071 0.38563 0.51559 0.03331  0.04369  -0.03295 136 TYR A CE1 
2040 C  CE2 . TYR A 128 ? 0.30743 0.40199 0.52356 0.01283  0.03848  -0.03611 136 TYR A CE2 
2041 C  CZ  . TYR A 128 ? 0.27514 0.39991 0.52401 0.02581  0.03445  -0.03878 136 TYR A CZ  
2042 O  OH  . TYR A 128 ? 0.30770 0.45357 0.57041 0.02897  0.03585  -0.04203 136 TYR A OH  
2052 N  N   . TYR A 129 ? 0.26212 0.23683 0.23941 -0.01349 0.02300  -0.00550 137 TYR A N   
2053 C  CA  . TYR A 129 ? 0.24522 0.23110 0.21197 -0.00383 0.00565  -0.00714 137 TYR A CA  
2054 C  C   . TYR A 129 ? 0.25364 0.21884 0.20515 -0.01419 -0.00070 -0.01391 137 TYR A C   
2055 O  O   . TYR A 129 ? 0.25946 0.23586 0.21105 -0.03764 -0.00579 -0.02298 137 TYR A O   
2056 C  CB  . TYR A 129 ? 0.24782 0.22302 0.20648 0.00043  0.00530  -0.00762 137 TYR A CB  
2057 C  CG  . TYR A 129 ? 0.23401 0.22606 0.20540 -0.02045 -0.00098 0.00574  137 TYR A CG  
2058 C  CD1 . TYR A 129 ? 0.22819 0.22450 0.20349 -0.03014 0.00595  0.02423  137 TYR A CD1 
2059 C  CD2 . TYR A 129 ? 0.25298 0.23126 0.22150 -0.02506 -0.01176 0.02240  137 TYR A CD2 
2060 C  CE1 . TYR A 129 ? 0.24500 0.20443 0.18798 -0.02718 -0.01266 0.04341  137 TYR A CE1 
2061 C  CE2 . TYR A 129 ? 0.25409 0.22423 0.19339 -0.02797 -0.01926 0.01764  137 TYR A CE2 
2062 C  CZ  . TYR A 129 ? 0.24957 0.20612 0.18953 -0.03257 -0.01299 0.03983  137 TYR A CZ  
2063 O  OH  . TYR A 129 ? 0.27496 0.25905 0.21718 -0.02036 -0.00226 0.03628  137 TYR A OH  
2073 N  N   . LEU A 130 ? 0.24787 0.22829 0.20819 -0.02315 -0.00516 0.00361  138 LEU A N   
2074 C  CA  . LEU A 130 ? 0.25624 0.23013 0.22268 -0.01268 0.01680  -0.00902 138 LEU A CA  
2075 C  C   . LEU A 130 ? 0.25133 0.22953 0.24171 -0.00918 -0.00179 -0.01239 138 LEU A C   
2076 O  O   . LEU A 130 ? 0.23842 0.22256 0.23312 0.01282  -0.00366 -0.01682 138 LEU A O   
2077 C  CB  . LEU A 130 ? 0.24698 0.22908 0.21514 -0.01530 0.01582  -0.03552 138 LEU A CB  
2078 C  CG  . LEU A 130 ? 0.24761 0.24135 0.23312 -0.01224 0.01606  -0.05304 138 LEU A CG  
2079 C  CD1 . LEU A 130 ? 0.25467 0.26239 0.24549 -0.01021 0.00369  -0.07042 138 LEU A CD1 
2080 C  CD2 . LEU A 130 ? 0.29466 0.28423 0.27349 -0.01119 0.00669  -0.02972 138 LEU A CD2 
2092 N  N   . ASN A 131 ? 0.25949 0.23394 0.24892 0.00678  -0.01556 -0.01526 139 ASN A N   
2093 C  CA  . ASN A 131 ? 0.26979 0.24090 0.25713 0.01765  -0.00711 -0.02485 139 ASN A CA  
2094 C  C   . ASN A 131 ? 0.27758 0.26470 0.26987 0.01354  -0.01192 -0.00558 139 ASN A C   
2095 O  O   . ASN A 131 ? 0.26645 0.26317 0.24908 0.00098  -0.02243 -0.00745 139 ASN A O   
2096 C  CB  . ASN A 131 ? 0.30008 0.26514 0.27828 0.02957  -0.01975 -0.02631 139 ASN A CB  
2097 C  CG  . ASN A 131 ? 0.33967 0.30892 0.32670 0.03727  0.00948  -0.01728 139 ASN A CG  
2098 O  OD1 . ASN A 131 ? 0.38632 0.38006 0.37887 0.04049  0.00607  -0.02578 139 ASN A OD1 
2099 N  ND2 . ASN A 131 ? 0.29649 0.23193 0.26267 0.04342  0.04356  -0.02936 139 ASN A ND2 
2106 N  N   . GLU A 132 ? 0.25982 0.26633 0.24289 -0.00020 -0.00447 0.00678  140 GLU A N   
2107 C  CA  . GLU A 132 ? 0.29350 0.28839 0.23534 -0.02966 0.00018  0.01939  140 GLU A CA  
2108 C  C   . GLU A 132 ? 0.27802 0.24579 0.20048 -0.02585 0.02021  -0.00519 140 GLU A C   
2109 O  O   . GLU A 132 ? 0.29171 0.24710 0.20979 -0.03854 0.01151  -0.00347 140 GLU A O   
2110 C  CB  . GLU A 132 ? 0.35454 0.36511 0.28582 -0.05057 0.00180  0.02254  140 GLU A CB  
2111 C  CG  . GLU A 132 ? 0.43876 0.46003 0.36159 -0.05738 0.00895  0.03572  140 GLU A CG  
2112 C  CD  . GLU A 132 ? 0.49263 0.51193 0.40988 -0.05687 0.02808  0.03225  140 GLU A CD  
2113 O  OE1 . GLU A 132 ? 0.49291 0.51815 0.42267 -0.06799 0.05400  0.04420  140 GLU A OE1 
2114 O  OE2 . GLU A 132 ? 0.49788 0.50329 0.38912 -0.05381 0.00904  0.01007  140 GLU A OE2 
2121 N  N   . GLN A 133 ? 0.28413 0.22387 0.18873 -0.00880 0.01971  -0.00199 141 GLN A N   
2122 C  CA  . GLN A 133 ? 0.29704 0.23312 0.22280 -0.01721 0.01589  -0.01595 141 GLN A CA  
2123 C  C   . GLN A 133 ? 0.26968 0.21916 0.22680 -0.01588 -0.01366 -0.01040 141 GLN A C   
2124 O  O   . GLN A 133 ? 0.27689 0.19057 0.23394 -0.01613 -0.02779 -0.01106 141 GLN A O   
2125 C  CB  . GLN A 133 ? 0.33726 0.25119 0.25549 -0.03522 0.03318  -0.00740 141 GLN A CB  
2126 C  CG  . GLN A 133 ? 0.38179 0.32610 0.29430 -0.04681 0.03722  0.00639  141 GLN A CG  
2127 C  CD  . GLN A 133 ? 0.39452 0.38770 0.32814 -0.06419 0.01373  0.01132  141 GLN A CD  
2128 O  OE1 . GLN A 133 ? 0.43479 0.44387 0.37685 -0.06721 -0.00929 0.01886  141 GLN A OE1 
2129 N  NE2 . GLN A 133 ? 0.39958 0.41472 0.35001 -0.07593 0.02580  0.00197  141 GLN A NE2 
2138 N  N   . VAL A 134 ? 0.24027 0.22205 0.20608 -0.01651 -0.02462 -0.00177 142 VAL A N   
2139 C  CA  . VAL A 134 ? 0.25477 0.23420 0.19956 -0.02185 -0.00634 0.00745  142 VAL A CA  
2140 C  C   . VAL A 134 ? 0.25019 0.22516 0.19811 -0.02904 -0.01903 0.00540  142 VAL A C   
2141 O  O   . VAL A 134 ? 0.25801 0.22722 0.21016 -0.02203 -0.03236 0.00178  142 VAL A O   
2142 C  CB  . VAL A 134 ? 0.24086 0.20987 0.16657 -0.04040 0.01927  0.02293  142 VAL A CB  
2143 C  CG1 . VAL A 134 ? 0.27095 0.23955 0.20594 -0.05037 0.02336  0.02659  142 VAL A CG1 
2144 C  CG2 . VAL A 134 ? 0.26870 0.24215 0.21166 -0.02679 0.02084  0.00666  142 VAL A CG2 
2154 N  N   . LYS A 135 ? 0.25484 0.22367 0.21071 -0.03308 -0.00260 -0.00110 143 LYS A N   
2155 C  CA  . LYS A 135 ? 0.27222 0.23783 0.23972 -0.01979 -0.01647 -0.02007 143 LYS A CA  
2156 C  C   . LYS A 135 ? 0.24610 0.20356 0.22594 -0.02635 -0.00894 -0.00427 143 LYS A C   
2157 O  O   . LYS A 135 ? 0.25227 0.20614 0.23800 -0.03073 -0.01554 -0.00851 143 LYS A O   
2158 C  CB  . LYS A 135 ? 0.30987 0.29756 0.29809 -0.01568 -0.01302 -0.02956 143 LYS A CB  
2159 C  CG  . LYS A 135 ? 0.34763 0.39449 0.37234 0.00149  -0.02430 -0.01597 143 LYS A CG  
2160 C  CD  . LYS A 135 ? 0.35191 0.45440 0.41812 -0.00138 -0.02856 -0.00368 143 LYS A CD  
2161 C  CE  . LYS A 135 ? 0.35126 0.51109 0.44668 0.00919  -0.02784 0.00041  143 LYS A CE  
2162 N  NZ  . LYS A 135 ? 0.36129 0.54832 0.47824 0.01548  -0.02419 0.00161  143 LYS A NZ  
2176 N  N   A SER A 136 ? 0.25990 0.20787 0.23681 -0.02270 0.01136  0.00378  144 SER A N   
2177 N  N   B SER A 136 ? 0.26065 0.21575 0.24172 -0.02950 -0.00572 -0.00187 144 SER A N   
2178 C  CA  A SER A 136 ? 0.30434 0.26700 0.26482 -0.03266 0.00756  -0.00038 144 SER A CA  
2179 C  CA  B SER A 136 ? 0.25340 0.20958 0.23275 -0.03473 -0.00911 -0.00160 144 SER A CA  
2180 C  C   A SER A 136 ? 0.28011 0.21340 0.23729 -0.02090 -0.01406 -0.00619 144 SER A C   
2181 C  C   B SER A 136 ? 0.26804 0.20949 0.23791 -0.03015 -0.01524 0.00185  144 SER A C   
2182 O  O   A SER A 136 ? 0.27484 0.19641 0.23553 -0.01014 -0.02072 -0.01330 144 SER A O   
2183 O  O   B SER A 136 ? 0.26559 0.20850 0.23695 -0.03036 -0.01739 -0.00109 144 SER A O   
2184 C  CB  A SER A 136 ? 0.31210 0.29678 0.26308 -0.05127 0.01416  0.01123  144 SER A CB  
2185 C  CB  B SER A 136 ? 0.22626 0.19314 0.21551 -0.04271 -0.01070 0.00017  144 SER A CB  
2186 O  OG  A SER A 136 ? 0.32524 0.31396 0.26050 -0.04575 0.02114  0.02985  144 SER A OG  
2187 O  OG  B SER A 136 ? 0.21366 0.18526 0.20876 -0.04267 -0.01462 0.00786  144 SER A OG  
2197 N  N   . ILE A 137 ? 0.27306 0.20266 0.23567 -0.02025 -0.01493 0.00736  145 ILE A N   
2198 C  CA  . ILE A 137 ? 0.25772 0.17828 0.21759 -0.01649 -0.02240 -0.00408 145 ILE A CA  
2199 C  C   . ILE A 137 ? 0.25436 0.17767 0.19728 0.00600  -0.02087 -0.01256 145 ILE A C   
2200 O  O   . ILE A 137 ? 0.26950 0.20506 0.22558 0.01063  -0.02570 -0.02455 145 ILE A O   
2201 C  CB  . ILE A 137 ? 0.25124 0.17009 0.23114 -0.00284 0.00258  0.00804  145 ILE A CB  
2202 C  CG1 . ILE A 137 ? 0.27050 0.17816 0.25903 -0.02351 -0.01054 -0.01685 145 ILE A CG1 
2203 C  CG2 . ILE A 137 ? 0.25828 0.17241 0.23171 -0.01237 0.01648  -0.00099 145 ILE A CG2 
2204 C  CD1 . ILE A 137 ? 0.27425 0.16693 0.27471 -0.03232 -0.01219 -0.03812 145 ILE A CD1 
2217 N  N   . LYS A 138 ? 0.25759 0.20507 0.19745 0.00309  -0.02461 0.00219  146 LYS A N   
2218 C  CA  . LYS A 138 ? 0.28049 0.20605 0.20253 -0.00415 -0.00931 0.02326  146 LYS A CA  
2219 C  C   . LYS A 138 ? 0.25519 0.19420 0.20636 -0.00126 -0.01173 0.01295  146 LYS A C   
2220 O  O   . LYS A 138 ? 0.26829 0.22072 0.23870 -0.00956 -0.01713 0.00137  146 LYS A O   
2221 C  CB  . LYS A 138 ? 0.27894 0.18143 0.19381 -0.01150 0.00256  0.03668  146 LYS A CB  
2222 C  CG  . LYS A 138 ? 0.29549 0.19237 0.20368 -0.01709 0.00463  0.05153  146 LYS A CG  
2223 C  CD  . LYS A 138 ? 0.31441 0.21158 0.22704 -0.00964 -0.00677 0.03678  146 LYS A CD  
2224 C  CE  . LYS A 138 ? 0.36466 0.24755 0.24911 0.00552  0.00518  0.01154  146 LYS A CE  
2225 N  NZ  . LYS A 138 ? 0.38714 0.25974 0.24846 0.01450  0.01273  -0.00038 146 LYS A NZ  
2239 N  N   . GLU A 139 ? 0.25648 0.20515 0.21754 -0.00186 0.00473  0.00118  147 GLU A N   
2240 C  CA  . GLU A 139 ? 0.26355 0.23102 0.22859 -0.00528 -0.00045 -0.01742 147 GLU A CA  
2241 C  C   . GLU A 139 ? 0.25398 0.20050 0.20234 -0.00998 -0.01397 -0.00918 147 GLU A C   
2242 O  O   . GLU A 139 ? 0.26390 0.20517 0.21150 0.00974  -0.00595 -0.00296 147 GLU A O   
2243 C  CB  . GLU A 139 ? 0.27812 0.29444 0.25872 0.00524  -0.00643 -0.00867 147 GLU A CB  
2244 C  CG  . GLU A 139 ? 0.31727 0.36110 0.32490 0.02814  -0.00142 -0.00601 147 GLU A CG  
2245 C  CD  . GLU A 139 ? 0.31637 0.39729 0.35714 0.05166  -0.01503 0.01936  147 GLU A CD  
2246 O  OE1 . GLU A 139 ? 0.33216 0.42661 0.40432 0.06833  -0.01761 0.01836  147 GLU A OE1 
2247 O  OE2 . GLU A 139 ? 0.33742 0.44006 0.35616 0.04419  -0.02441 0.02412  147 GLU A OE2 
2254 N  N   . LEU A 140 ? 0.25040 0.18977 0.20532 -0.02753 -0.02841 -0.01166 148 LEU A N   
2255 C  CA  . LEU A 140 ? 0.27456 0.19512 0.21082 -0.00998 -0.01312 -0.01614 148 LEU A CA  
2256 C  C   . LEU A 140 ? 0.25550 0.19125 0.19352 -0.00092 -0.01737 -0.02058 148 LEU A C   
2257 O  O   . LEU A 140 ? 0.27517 0.19346 0.19773 -0.00459 -0.04668 -0.02680 148 LEU A O   
2258 C  CB  . LEU A 140 ? 0.28727 0.19318 0.21087 -0.00438 -0.01136 -0.01286 148 LEU A CB  
2259 C  CG  . LEU A 140 ? 0.30011 0.20607 0.22053 0.01975  0.00088  -0.01752 148 LEU A CG  
2260 C  CD1 . LEU A 140 ? 0.31119 0.21189 0.24043 0.03167  0.01320  -0.00298 148 LEU A CD1 
2261 C  CD2 . LEU A 140 ? 0.31680 0.22755 0.22295 0.01666  -0.00272 0.00050  148 LEU A CD2 
2273 N  N   . GLY A 141 ? 0.24299 0.19350 0.20001 0.00976  0.00584  -0.01001 149 GLY A N   
2274 C  CA  . GLY A 141 ? 0.27002 0.21521 0.22401 -0.00294 0.00006  -0.00823 149 GLY A CA  
2275 C  C   . GLY A 141 ? 0.26222 0.21948 0.21351 -0.01306 -0.00004 -0.00096 149 GLY A C   
2276 O  O   . GLY A 141 ? 0.25319 0.22076 0.21398 -0.00532 -0.01669 -0.01421 149 GLY A O   
2280 N  N   . ASP A 142 ? 0.25399 0.24227 0.20834 -0.01614 0.00351  0.01597  150 ASP A N   
2281 C  CA  . ASP A 142 ? 0.26349 0.22939 0.21354 -0.01276 0.00203  0.01616  150 ASP A CA  
2282 C  C   . ASP A 142 ? 0.25493 0.22798 0.21268 -0.00499 -0.01116 -0.00649 150 ASP A C   
2283 O  O   . ASP A 142 ? 0.24980 0.23727 0.20140 -0.00766 -0.01865 -0.01592 150 ASP A O   
2284 C  CB  . ASP A 142 ? 0.26184 0.24677 0.21974 -0.01072 -0.01621 -0.00220 150 ASP A CB  
2285 C  CG  . ASP A 142 ? 0.32359 0.31969 0.29025 0.00649  -0.01111 0.00824  150 ASP A CG  
2286 O  OD1 . ASP A 142 ? 0.31581 0.28323 0.24358 0.00342  -0.02041 0.00283  150 ASP A OD1 
2287 O  OD2 . ASP A 142 ? 0.32578 0.36465 0.32279 0.02239  -0.00485 0.01083  150 ASP A OD2 
2292 N  N   . HIS A 143 ? 0.22743 0.20839 0.19893 -0.00704 -0.00703 -0.00733 151 HIS A N   
2293 C  CA  . HIS A 143 ? 0.23192 0.21694 0.19391 -0.00843 -0.00616 -0.01109 151 HIS A CA  
2294 C  C   . HIS A 143 ? 0.22065 0.19716 0.18901 -0.03102 0.00165  -0.01226 151 HIS A C   
2295 O  O   . HIS A 143 ? 0.25480 0.19692 0.20682 -0.03538 -0.01626 -0.02155 151 HIS A O   
2296 C  CB  . HIS A 143 ? 0.22716 0.22828 0.19381 -0.01232 0.00436  -0.00823 151 HIS A CB  
2297 C  CG  . HIS A 143 ? 0.21847 0.25251 0.19809 -0.02512 0.01056  -0.00471 151 HIS A CG  
2298 N  ND1 . HIS A 143 ? 0.25684 0.28753 0.22585 -0.00517 -0.01711 -0.00865 151 HIS A ND1 
2299 C  CD2 . HIS A 143 ? 0.21417 0.24835 0.19177 -0.01904 -0.00113 -0.00120 151 HIS A CD2 
2300 C  CE1 . HIS A 143 ? 0.23659 0.26741 0.21798 -0.01586 -0.00536 0.00247  151 HIS A CE1 
2301 N  NE2 . HIS A 143 ? 0.26123 0.30390 0.23565 -0.01726 -0.00499 -0.01651 151 HIS A NE2 
2309 N  N   . VAL A 144 ? 0.24352 0.20746 0.20701 -0.00848 -0.00840 -0.01484 152 VAL A N   
2310 C  CA  . VAL A 144 ? 0.25945 0.22314 0.21788 0.00464  -0.00427 0.00053  152 VAL A CA  
2311 C  C   . VAL A 144 ? 0.25150 0.22487 0.22093 0.00715  -0.01114 -0.00429 152 VAL A C   
2312 O  O   . VAL A 144 ? 0.25708 0.21948 0.23522 0.00170  0.00147  -0.01028 152 VAL A O   
2313 C  CB  . VAL A 144 ? 0.26189 0.23916 0.21723 0.00769  0.00984  0.00449  152 VAL A CB  
2314 C  CG1 . VAL A 144 ? 0.25989 0.24817 0.22656 0.03261  -0.00189 -0.00717 152 VAL A CG1 
2315 C  CG2 . VAL A 144 ? 0.26783 0.22299 0.19094 0.00737  0.01197  0.01479  152 VAL A CG2 
2325 N  N   . HIS A 145 ? 0.22170 0.22168 0.21875 0.02191  -0.01732 0.00089  153 HIS A N   
2326 C  CA  . HIS A 145 ? 0.22893 0.23227 0.22242 0.00459  -0.00071 0.00175  153 HIS A CA  
2327 C  C   . HIS A 145 ? 0.24174 0.24303 0.23034 -0.00393 0.00062  -0.00457 153 HIS A C   
2328 O  O   . HIS A 145 ? 0.23528 0.22114 0.21392 -0.00600 -0.01321 0.00160  153 HIS A O   
2329 C  CB  . HIS A 145 ? 0.23054 0.23408 0.19674 -0.00243 0.02243  0.02268  153 HIS A CB  
2330 C  CG  . HIS A 145 ? 0.22949 0.25022 0.22176 -0.00864 0.00582  0.03900  153 HIS A CG  
2331 N  ND1 . HIS A 145 ? 0.26767 0.28893 0.27688 -0.02000 -0.00364 0.05382  153 HIS A ND1 
2332 C  CD2 . HIS A 145 ? 0.24562 0.27850 0.23847 -0.01497 -0.00479 0.05427  153 HIS A CD2 
2333 C  CE1 . HIS A 145 ? 0.27883 0.30668 0.29773 -0.01712 -0.00414 0.05993  153 HIS A CE1 
2334 N  NE2 . HIS A 145 ? 0.26810 0.29737 0.28282 -0.01838 -0.00846 0.05376  153 HIS A NE2 
2342 N  N   . ASN A 146 ? 0.23930 0.22820 0.22564 -0.01682 -0.00117 -0.00321 154 ASN A N   
2343 C  CA  . ASN A 146 ? 0.25843 0.21247 0.22236 -0.01171 -0.01649 0.00509  154 ASN A CA  
2344 C  C   . ASN A 146 ? 0.24109 0.20343 0.21203 -0.00647 -0.01486 0.00595  154 ASN A C   
2345 O  O   . ASN A 146 ? 0.25031 0.19707 0.21818 -0.00322 -0.01130 -0.00199 154 ASN A O   
2346 C  CB  . ASN A 146 ? 0.26250 0.16058 0.21883 -0.00803 -0.02518 -0.00450 154 ASN A CB  
2347 C  CG  . ASN A 146 ? 0.31594 0.23324 0.27519 -0.01129 -0.06042 -0.01226 154 ASN A CG  
2348 O  OD1 . ASN A 146 ? 0.37658 0.29507 0.30661 -0.02721 -0.07928 -0.00284 154 ASN A OD1 
2349 N  ND2 . ASN A 146 ? 0.34137 0.27732 0.31509 -0.00315 -0.06838 -0.00642 154 ASN A ND2 
2356 N  N   . LEU A 147 ? 0.21258 0.18901 0.20682 -0.03216 -0.00239 -0.00538 155 LEU A N   
2357 C  CA  . LEU A 147 ? 0.22664 0.21228 0.22789 -0.01961 0.00329  -0.01210 155 LEU A CA  
2358 C  C   . LEU A 147 ? 0.21575 0.19953 0.22251 -0.02934 -0.00981 -0.02042 155 LEU A C   
2359 O  O   . LEU A 147 ? 0.20157 0.20759 0.21423 -0.01928 -0.01824 -0.02531 155 LEU A O   
2360 C  CB  . LEU A 147 ? 0.20572 0.20145 0.19768 -0.03795 0.00313  -0.00984 155 LEU A CB  
2361 C  CG  . LEU A 147 ? 0.22977 0.22057 0.22460 -0.01473 0.01407  -0.00333 155 LEU A CG  
2362 C  CD1 . LEU A 147 ? 0.22765 0.21734 0.23703 -0.01160 0.02765  0.00069  155 LEU A CD1 
2363 C  CD2 . LEU A 147 ? 0.21144 0.21593 0.20577 0.02084  0.01422  -0.01631 155 LEU A CD2 
2375 N  N   . VAL A 148 ? 0.23122 0.24294 0.22016 -0.02117 0.01239  -0.00677 156 VAL A N   
2376 C  CA  . VAL A 148 ? 0.23514 0.24187 0.24321 -0.02707 0.00729  -0.00615 156 VAL A CA  
2377 C  C   . VAL A 148 ? 0.23685 0.24007 0.24864 -0.02117 0.00254  -0.01041 156 VAL A C   
2378 O  O   . VAL A 148 ? 0.24845 0.25073 0.25112 -0.03752 0.00988  -0.02298 156 VAL A O   
2379 C  CB  . VAL A 148 ? 0.25230 0.24833 0.27101 -0.03865 0.00952  -0.00614 156 VAL A CB  
2380 C  CG1 . VAL A 148 ? 0.26400 0.25824 0.27985 -0.04628 0.01496  -0.01381 156 VAL A CG1 
2381 C  CG2 . VAL A 148 ? 0.26095 0.25148 0.26760 -0.03160 0.01323  -0.01174 156 VAL A CG2 
2391 N  N   . LYS A 149 ? 0.25768 0.24769 0.26049 -0.02050 0.00437  0.00728  157 LYS A N   
2392 C  CA  . LYS A 149 ? 0.27388 0.22177 0.26542 -0.02301 0.01222  0.01069  157 LYS A CA  
2393 C  C   . LYS A 149 ? 0.26128 0.19235 0.23563 -0.04605 -0.00956 0.00468  157 LYS A C   
2394 O  O   . LYS A 149 ? 0.30686 0.23609 0.25205 -0.05286 0.00075  -0.01714 157 LYS A O   
2395 C  CB  . LYS A 149 ? 0.32488 0.24938 0.32358 -0.01358 0.01720  0.00972  157 LYS A CB  
2396 C  CG  . LYS A 149 ? 0.41411 0.29473 0.40811 0.00273  0.01920  0.01541  157 LYS A CG  
2397 C  CD  . LYS A 149 ? 0.49060 0.31981 0.46863 0.02447  0.01592  0.00901  157 LYS A CD  
2398 C  CE  . LYS A 149 ? 0.52559 0.31584 0.49887 0.03927  0.01234  0.00932  157 LYS A CE  
2399 N  NZ  . LYS A 149 ? 0.61526 0.41590 0.57793 0.01874  0.00983  0.00560  157 LYS A NZ  
2413 N  N   . MET A 150 ? 0.25549 0.20412 0.24315 -0.03292 -0.01139 0.01005  158 MET A N   
2414 C  CA  . MET A 150 ? 0.28607 0.25156 0.26063 -0.02496 -0.00788 0.00572  158 MET A CA  
2415 C  C   . MET A 150 ? 0.26125 0.24969 0.26186 -0.05386 0.01061  -0.01961 158 MET A C   
2416 O  O   . MET A 150 ? 0.27089 0.28374 0.26690 -0.05773 0.00809  -0.04319 158 MET A O   
2417 C  CB  . MET A 150 ? 0.27216 0.24188 0.23749 0.00769  -0.00145 0.02039  158 MET A CB  
2418 C  CG  . MET A 150 ? 0.27081 0.22011 0.23576 0.01220  0.00519  0.02751  158 MET A CG  
2419 S  SD  . MET A 150 ? 0.29927 0.25201 0.28939 0.00644  -0.01412 0.00418  158 MET A SD  
2420 C  CE  . MET A 150 ? 0.31656 0.24216 0.29072 0.01972  -0.03152 -0.00095 158 MET A CE  
2430 N  N   . GLY A 151 ? 0.25735 0.22792 0.24725 -0.05005 0.00522  -0.01179 159 GLY A N   
2431 C  CA  . GLY A 151 ? 0.28725 0.26322 0.29528 -0.02031 -0.00965 -0.00230 159 GLY A CA  
2432 C  C   . GLY A 151 ? 0.29170 0.28765 0.28571 -0.00992 -0.01347 0.00020  159 GLY A C   
2433 O  O   . GLY A 151 ? 0.28789 0.27401 0.26684 -0.02368 -0.00923 -0.01841 159 GLY A O   
2437 N  N   . ALA A 152 ? 0.25036 0.25366 0.24249 0.00827  -0.03048 0.00025  160 ALA A N   
2438 C  CA  . ALA A 152 ? 0.23346 0.26343 0.25582 -0.00599 -0.03353 -0.00162 160 ALA A CA  
2439 C  C   . ALA A 152 ? 0.25949 0.28668 0.29336 -0.00862 -0.04220 -0.00370 160 ALA A C   
2440 O  O   . ALA A 152 ? 0.28982 0.32091 0.31246 -0.01749 -0.02424 -0.01399 160 ALA A O   
2441 C  CB  . ALA A 152 ? 0.21941 0.25454 0.25665 -0.00626 -0.05007 -0.00021 160 ALA A CB  
2447 N  N   . PRO A 153 ? 0.28497 0.29949 0.33076 0.01495  -0.06599 0.00505  161 PRO A N   
2448 C  CA  . PRO A 153 ? 0.32683 0.33315 0.37120 0.02270  -0.06396 0.00416  161 PRO A CA  
2449 C  C   . PRO A 153 ? 0.36065 0.39785 0.39314 0.03836  -0.05463 -0.02421 161 PRO A C   
2450 O  O   . PRO A 153 ? 0.37855 0.42478 0.39072 0.04805  -0.05376 -0.00624 161 PRO A O   
2451 C  CB  . PRO A 153 ? 0.34188 0.31731 0.37961 0.01133  -0.07866 0.02151  161 PRO A CB  
2452 C  CG  . PRO A 153 ? 0.32295 0.29560 0.36683 0.01898  -0.08342 0.02128  161 PRO A CG  
2453 C  CD  . PRO A 153 ? 0.30374 0.28707 0.34976 0.02093  -0.08473 0.00035  161 PRO A CD  
2461 N  N   . ASP A 154 ? 0.34303 0.40144 0.40094 0.02561  -0.06058 -0.05567 162 ASP A N   
2462 C  CA  . ASP A 154 ? 0.36926 0.44022 0.43951 0.01949  -0.05013 -0.07676 162 ASP A CA  
2463 C  C   . ASP A 154 ? 0.32086 0.40323 0.39418 0.01666  -0.05206 -0.07072 162 ASP A C   
2464 O  O   . ASP A 154 ? 0.33946 0.40205 0.39683 0.04403  -0.07180 -0.06757 162 ASP A O   
2465 C  CB  . ASP A 154 ? 0.41828 0.49218 0.50528 0.01538  -0.04829 -0.09447 162 ASP A CB  
2466 C  CG  . ASP A 154 ? 0.50447 0.57912 0.58992 0.00422  -0.04417 -0.09648 162 ASP A CG  
2467 O  OD1 . ASP A 154 ? 0.55071 0.61572 0.63216 0.01103  -0.05169 -0.08758 162 ASP A OD1 
2468 O  OD2 . ASP A 154 ? 0.53659 0.61967 0.62793 -0.00754 -0.02233 -0.10631 162 ASP A OD2 
2473 N  N   . ALA A 155 ? 0.24207 0.34473 0.33499 0.00649  -0.02466 -0.05975 163 ALA A N   
2474 C  CA  . ALA A 155 ? 0.27587 0.36518 0.35326 0.00654  -0.00878 -0.04157 163 ALA A CA  
2475 C  C   . ALA A 155 ? 0.30018 0.37950 0.37966 0.01764  -0.00068 -0.02359 163 ALA A C   
2476 O  O   . ALA A 155 ? 0.33952 0.40115 0.42078 0.00325  0.01201  -0.03309 163 ALA A O   
2477 C  CB  . ALA A 155 ? 0.27421 0.35415 0.32282 0.00329  -0.01009 -0.03806 163 ALA A CB  
2483 N  N   . GLY A 156 ? 0.31383 0.38298 0.34897 0.02619  -0.00568 -0.00945 164 GLY A N   
2484 C  CA  . GLY A 156 ? 0.29334 0.36304 0.31875 0.03831  0.01382  -0.00805 164 GLY A CA  
2485 C  C   . GLY A 156 ? 0.30412 0.34008 0.30589 0.03019  0.02277  -0.00490 164 GLY A C   
2486 O  O   . GLY A 156 ? 0.31293 0.33278 0.30596 0.04523  0.04826  0.02441  164 GLY A O   
2490 N  N   . LEU A 157 ? 0.28382 0.26963 0.25941 0.00177  0.02225  -0.01426 165 LEU A N   
2491 C  CA  . LEU A 157 ? 0.27351 0.24438 0.25571 -0.01158 0.00863  -0.00053 165 LEU A CA  
2492 C  C   . LEU A 157 ? 0.26017 0.22981 0.25933 -0.00715 -0.00601 -0.00618 165 LEU A C   
2493 O  O   . LEU A 157 ? 0.25450 0.22506 0.30047 0.00147  -0.00735 -0.00852 165 LEU A O   
2494 C  CB  . LEU A 157 ? 0.27712 0.24290 0.26097 -0.00492 -0.00407 -0.00114 165 LEU A CB  
2495 C  CG  . LEU A 157 ? 0.30118 0.24135 0.25984 -0.01143 -0.00172 -0.00846 165 LEU A CG  
2496 C  CD1 . LEU A 157 ? 0.29943 0.21859 0.26045 -0.02208 -0.02102 -0.00716 165 LEU A CD1 
2497 C  CD2 . LEU A 157 ? 0.33168 0.27595 0.27228 -0.01880 0.02084  0.00857  165 LEU A CD2 
2509 N  N   . ALA A 158 ? 0.24804 0.24213 0.21679 0.00677  -0.00902 -0.01978 166 ALA A N   
2510 C  CA  . ALA A 158 ? 0.23204 0.23712 0.20195 -0.01561 -0.01059 -0.03177 166 ALA A CA  
2511 C  C   . ALA A 158 ? 0.24597 0.25284 0.23343 -0.01131 0.00381  -0.00805 166 ALA A C   
2512 O  O   . ALA A 158 ? 0.24428 0.23998 0.23172 -0.00840 -0.00191 0.01500  166 ALA A O   
2513 C  CB  . ALA A 158 ? 0.26097 0.26913 0.22222 -0.02093 0.01242  -0.02535 166 ALA A CB  
2519 N  N   . GLU A 159 ? 0.23247 0.24418 0.23305 -0.00379 0.00181  0.00385  167 GLU A N   
2520 C  CA  . GLU A 159 ? 0.22923 0.21956 0.22093 0.00991  -0.00356 0.00843  167 GLU A CA  
2521 C  C   . GLU A 159 ? 0.22655 0.20406 0.19510 -0.00551 -0.00688 -0.00194 167 GLU A C   
2522 O  O   . GLU A 159 ? 0.24041 0.20939 0.19943 0.01668  -0.00169 -0.00429 167 GLU A O   
2523 C  CB  . GLU A 159 ? 0.25472 0.23596 0.24678 0.02001  0.02123  0.02856  167 GLU A CB  
2524 C  CG  . GLU A 159 ? 0.29838 0.26644 0.27543 0.03645  0.01597  0.00782  167 GLU A CG  
2525 C  CD  . GLU A 159 ? 0.32392 0.32436 0.30848 0.04868  -0.00109 -0.01858 167 GLU A CD  
2526 O  OE1 . GLU A 159 ? 0.35734 0.36388 0.32218 0.06625  0.01875  -0.00805 167 GLU A OE1 
2527 O  OE2 . GLU A 159 ? 0.31968 0.32619 0.33323 0.03966  -0.02431 -0.04236 167 GLU A OE2 
2534 N  N   . TYR A 160 ? 0.24570 0.20301 0.21415 -0.00568 0.00521  0.00087  168 TYR A N   
2535 C  CA  . TYR A 160 ? 0.25202 0.20546 0.20625 -0.00503 -0.01188 -0.00920 168 TYR A CA  
2536 C  C   . TYR A 160 ? 0.24902 0.19876 0.20943 -0.00793 -0.00085 0.00819  168 TYR A C   
2537 O  O   . TYR A 160 ? 0.24906 0.19118 0.22045 0.00875  0.00315  -0.01982 168 TYR A O   
2538 C  CB  . TYR A 160 ? 0.25839 0.22848 0.19756 -0.00703 -0.02720 -0.01593 168 TYR A CB  
2539 C  CG  . TYR A 160 ? 0.27460 0.22691 0.19110 0.00733  -0.00484 -0.02042 168 TYR A CG  
2540 C  CD1 . TYR A 160 ? 0.28823 0.22843 0.18478 0.01152  0.00078  -0.01835 168 TYR A CD1 
2541 C  CD2 . TYR A 160 ? 0.26977 0.21707 0.18435 -0.00793 0.00100  -0.03557 168 TYR A CD2 
2542 C  CE1 . TYR A 160 ? 0.30351 0.25430 0.22428 0.00662  0.00727  -0.01399 168 TYR A CE1 
2543 C  CE2 . TYR A 160 ? 0.27108 0.22620 0.19595 -0.01834 -0.00002 -0.02437 168 TYR A CE2 
2544 C  CZ  . TYR A 160 ? 0.28806 0.23746 0.23461 -0.00126 0.00139  -0.01903 168 TYR A CZ  
2545 O  OH  . TYR A 160 ? 0.29293 0.21573 0.26497 0.00419  -0.00670 -0.02398 168 TYR A OH  
2555 N  N   . LEU A 161 ? 0.25143 0.20468 0.20419 -0.00049 0.00933  -0.00932 169 LEU A N   
2556 C  CA  . LEU A 161 ? 0.25481 0.21289 0.22975 0.00672  -0.01832 -0.00290 169 LEU A CA  
2557 C  C   . LEU A 161 ? 0.24031 0.18866 0.20214 0.03030  -0.00901 0.00552  169 LEU A C   
2558 O  O   . LEU A 161 ? 0.25882 0.18801 0.19012 0.03572  -0.01679 0.03108  169 LEU A O   
2559 C  CB  . LEU A 161 ? 0.25490 0.20925 0.22940 -0.00611 -0.05228 -0.01085 169 LEU A CB  
2560 C  CG  . LEU A 161 ? 0.28810 0.21263 0.27815 0.00078  -0.05990 -0.03153 169 LEU A CG  
2561 C  CD1 . LEU A 161 ? 0.30071 0.20460 0.27386 -0.03120 -0.07509 -0.00796 169 LEU A CD1 
2562 C  CD2 . LEU A 161 ? 0.29161 0.21119 0.30854 0.03746  -0.08847 -0.04113 169 LEU A CD2 
2574 N  N   . PHE A 162 ? 0.22973 0.20488 0.19594 0.00983  -0.00728 -0.00198 170 PHE A N   
2575 C  CA  . PHE A 162 ? 0.24727 0.20400 0.20907 0.01862  -0.01631 -0.00097 170 PHE A CA  
2576 C  C   . PHE A 162 ? 0.23287 0.20432 0.18449 0.00075  -0.02050 -0.00489 170 PHE A C   
2577 O  O   . PHE A 162 ? 0.23215 0.20808 0.20503 0.00103  -0.02872 -0.00370 170 PHE A O   
2578 C  CB  . PHE A 162 ? 0.28148 0.21141 0.21822 0.00896  -0.00609 -0.00933 170 PHE A CB  
2579 C  CG  . PHE A 162 ? 0.26120 0.19798 0.20142 0.01842  0.01508  -0.02541 170 PHE A CG  
2580 C  CD1 . PHE A 162 ? 0.29651 0.24911 0.23624 -0.00386 0.02458  -0.03483 170 PHE A CD1 
2581 C  CD2 . PHE A 162 ? 0.27069 0.19342 0.19777 0.01164  0.01681  -0.03746 170 PHE A CD2 
2582 C  CE1 . PHE A 162 ? 0.30935 0.24003 0.22488 -0.00549 0.01974  -0.04733 170 PHE A CE1 
2583 C  CE2 . PHE A 162 ? 0.28333 0.19921 0.21053 -0.01317 -0.00507 -0.04203 170 PHE A CE2 
2584 C  CZ  . PHE A 162 ? 0.27492 0.20240 0.19002 -0.02899 0.00101  -0.06022 170 PHE A CZ  
2594 N  N   . ASP A 163 ? 0.23567 0.20843 0.18665 -0.00990 -0.00504 0.00779  171 ASP A N   
2595 C  CA  . ASP A 163 ? 0.25054 0.20293 0.21361 -0.00177 -0.00418 0.00827  171 ASP A CA  
2596 C  C   . ASP A 163 ? 0.25036 0.21904 0.25396 0.00468  0.00699  0.01551  171 ASP A C   
2597 O  O   . ASP A 163 ? 0.24612 0.20932 0.26640 0.02368  -0.00201 0.03029  171 ASP A O   
2598 C  CB  . ASP A 163 ? 0.24500 0.21032 0.22121 -0.00855 -0.01243 0.02279  171 ASP A CB  
2599 C  CG  . ASP A 163 ? 0.26508 0.20877 0.25588 -0.01151 0.01033  0.00383  171 ASP A CG  
2600 O  OD1 . ASP A 163 ? 0.27805 0.19075 0.26698 -0.01140 0.02073  -0.01672 171 ASP A OD1 
2601 O  OD2 . ASP A 163 ? 0.26689 0.21156 0.24706 -0.01202 -0.00275 0.00405  171 ASP A OD2 
2606 N  N   . THR A 164 ? 0.24432 0.20711 0.24897 0.00688  0.03405  0.02709  172 THR A N   
2607 C  CA  . THR A 164 ? 0.29684 0.27137 0.30595 0.02932  0.02050  -0.00105 172 THR A CA  
2608 C  C   . THR A 164 ? 0.27758 0.28490 0.30302 0.05611  0.02135  0.02188  172 THR A C   
2609 O  O   . THR A 164 ? 0.31221 0.35185 0.34246 0.07458  0.03109  0.07471  172 THR A O   
2610 C  CB  . THR A 164 ? 0.37206 0.31573 0.38389 0.01339  0.02495  -0.03932 172 THR A CB  
2611 O  OG1 . THR A 164 ? 0.41024 0.34023 0.41040 0.01806  0.02435  -0.06525 172 THR A OG1 
2612 C  CG2 . THR A 164 ? 0.37850 0.31881 0.40669 -0.00043 -0.00011 -0.06122 172 THR A CG2 
2620 N  N   . HIS A 165 ? 0.25540 0.25392 0.26351 0.05246  -0.02489 -0.01682 173 HIS A N   
2621 C  CA  . HIS A 165 ? 0.26013 0.24456 0.28852 0.05314  -0.03731 0.00466  173 HIS A CA  
2622 C  C   . HIS A 165 ? 0.23637 0.27657 0.31030 0.06969  -0.07824 -0.01735 173 HIS A C   
2623 O  O   . HIS A 165 ? 0.30677 0.38733 0.41840 0.08618  -0.10466 -0.08884 173 HIS A O   
2624 C  CB  . HIS A 165 ? 0.27536 0.22007 0.26096 0.06043  -0.00759 0.02555  173 HIS A CB  
2625 C  CG  . HIS A 165 ? 0.35620 0.23305 0.31563 0.04073  0.00102  -0.00805 173 HIS A CG  
2626 N  ND1 . HIS A 165 ? 0.42401 0.30774 0.42632 0.00055  0.01613  -0.04732 173 HIS A ND1 
2627 C  CD2 . HIS A 165 ? 0.35932 0.17373 0.28316 0.03757  0.00506  -0.04175 173 HIS A CD2 
2628 C  CE1 . HIS A 165 ? 0.41628 0.26640 0.42111 -0.01954 0.02054  -0.03951 173 HIS A CE1 
2629 N  NE2 . HIS A 165 ? 0.34788 0.11758 0.31681 -0.00155 0.02237  -0.04589 173 HIS A NE2 
2637 N  N   . THR A 166 ? 0.21932 0.24559 0.25561 0.02827  -0.06873 0.00352  174 THR A N   
2638 C  CA  . THR A 166 ? 0.23109 0.23652 0.25322 -0.02099 -0.05388 -0.01173 174 THR A CA  
2639 C  C   . THR A 166 ? 0.25052 0.23506 0.25444 -0.01643 -0.03992 -0.00608 174 THR A C   
2640 O  O   . THR A 166 ? 0.27961 0.26647 0.26297 -0.01082 -0.03658 -0.00588 174 THR A O   
2641 C  CB  . THR A 166 ? 0.23863 0.23786 0.25035 -0.02943 -0.02574 -0.01159 174 THR A CB  
2642 O  OG1 . THR A 166 ? 0.25389 0.25828 0.27891 -0.03362 -0.00490 0.00866  174 THR A OG1 
2643 C  CG2 . THR A 166 ? 0.27683 0.25743 0.25869 -0.03538 -0.02777 -0.00097 174 THR A CG2 
2651 N  N   . LEU A 167 ? 0.25346 0.24548 0.26089 -0.00804 -0.01816 0.00299  175 LEU A N   
2652 C  CA  . LEU A 167 ? 0.27027 0.26496 0.27101 -0.01082 -0.00548 0.01853  175 LEU A CA  
2653 C  C   . LEU A 167 ? 0.32514 0.35503 0.34822 0.00457  0.00709  0.04493  175 LEU A C   
2654 O  O   . LEU A 167 ? 0.33255 0.36250 0.37914 0.02435  0.01999  0.03698  175 LEU A O   
2655 C  CB  . LEU A 167 ? 0.25736 0.23957 0.25044 -0.02407 -0.00950 0.01731  175 LEU A CB  
2656 C  CG  . LEU A 167 ? 0.25795 0.23415 0.23936 -0.03238 -0.02361 0.00532  175 LEU A CG  
2657 C  CD1 . LEU A 167 ? 0.28493 0.27380 0.26198 -0.02635 -0.01947 0.02196  175 LEU A CD1 
2658 C  CD2 . LEU A 167 ? 0.26485 0.23268 0.23903 -0.03734 -0.01471 -0.00831 175 LEU A CD2 
2670 N  N   . GLY A 168 ? 0.37217 0.42353 0.39721 0.01571  0.00655  0.05171  176 GLY A N   
2671 C  CA  . GLY A 168 ? 0.44138 0.51439 0.47205 0.00827  -0.02170 0.07422  176 GLY A CA  
2672 C  C   . GLY A 168 ? 0.50127 0.58965 0.53069 0.01361  -0.04608 0.09792  176 GLY A C   
2673 O  O   . GLY A 168 ? 0.52004 0.60812 0.54611 0.01561  -0.05094 0.10503  176 GLY A O   
2677 N  N   . ASN A 169 ? 0.67576 0.76130 0.69531 0.00927  -0.06867 0.10629  177 ASN A N   
2678 C  CA  . ASN A 169 ? 0.74659 0.82584 0.76657 -0.00334 -0.08324 0.11000  177 ASN A CA  
2679 C  C   . ASN A 169 ? 0.75272 0.82856 0.77093 -0.00651 -0.08332 0.12184  177 ASN A C   
2680 O  O   . ASN A 169 ? 0.75666 0.83211 0.77326 -0.00879 -0.08339 0.12778  177 ASN A O   
2681 C  CB  . ASN A 169 ? 0.80480 0.87647 0.82688 -0.01395 -0.09341 0.09839  177 ASN A CB  
2682 C  CG  . ASN A 169 ? 0.85240 0.92079 0.87682 -0.02147 -0.09882 0.08468  177 ASN A CG  
2683 O  OD1 . ASN A 169 ? 0.86583 0.93347 0.89083 -0.02026 -0.10072 0.07893  177 ASN A OD1 
2684 N  ND2 . ASN A 169 ? 0.85847 0.92896 0.88595 -0.02534 -0.10233 0.08144  177 ASN A ND2 
2691 FE FE  . FE  B .   ? 0.28178 0.25089 0.26519 -0.00568 0.01816  -0.01503 201 FE  A FE  
2692 FE FE  . FE  C .   ? 0.35884 0.38505 0.32347 -0.05408 0.03375  -0.02040 202 FE  A FE  
2693 FE FE  . FE  D .   ? 0.33288 0.59782 0.59782 0.00000  0.00000  0.00000  203 FE  A FE  
2694 FE FE  . FE  E .   ? 0.46811 0.49498 0.49791 0.06311  -0.04097 0.03467  204 FE  A FE  
2695 MG MG  . MG  F .   ? 0.26191 0.26191 0.26191 0.00973  0.00973  -0.00973 205 MG  A MG  
2696 MG MG  . MG  G .   ? 0.72384 0.72384 0.72384 -0.13872 -0.13872 0.13872  206 MG  A MG  
2697 MG MG  . MG  H .   ? 0.19704 0.19704 0.33425 0.02929  -0.02284 0.02284  207 MG  A MG  
2698 MG MG  . MG  I .   ? 0.49126 0.49626 0.41040 -0.04331 0.01223  0.00872  208 MG  A MG  
2699 MG MG  . MG  J .   ? 0.55693 0.49217 0.55752 -0.00937 0.02882  0.05436  209 MG  A MG  
2700 MG MG  . MG  K .   ? 0.38878 0.42623 0.62797 -0.01620 -0.03575 0.08490  210 MG  A MG  
2701 MG MG  . MG  L .   ? 0.34220 0.34799 0.44258 -0.08458 -0.05755 0.06170  211 MG  A MG  
2702 MG MG  . MG  M .   ? 0.42435 0.29977 0.31188 0.00889  0.05073  -0.01687 212 MG  A MG  
2703 MG MG  . MG  N .   ? 0.30035 0.31886 0.30896 0.01990  0.00330  0.01406  213 MG  A MG  
2704 MG MG  . MG  O .   ? 0.92234 1.03356 0.93498 -0.00022 0.33720  0.46689  214 MG  A MG  
2705 CL CL  . CL  P .   ? 0.30499 0.22058 0.27578 0.07839  0.01870  0.01110  215 CL  A CL  
2706 CL CL  . CL  Q .   ? 0.36292 0.44330 0.57421 -0.01571 -0.01070 -0.11754 216 CL  A CL  
2707 CL CL  . CL  R .   ? 1.07048 0.99982 1.64710 0.16945  0.15346  -0.48613 217 CL  A CL  
2708 CL CL  . CL  S .   ? 0.60599 1.18259 0.69401 -0.30863 0.08819  0.27861  218 CL  A CL  
2709 CL CL  . CL  T .   ? 1.42361 1.64862 0.93098 0.17803  -0.48348 0.11610  219 CL  A CL  
2710 CL CL  . CL  U .   ? 0.42158 0.42468 0.44601 0.19323  -0.04431 0.03330  220 CL  A CL  
2711 CL CL  . CL  V .   ? 1.18206 0.29457 0.29457 0.00000  0.00000  0.00000  221 CL  A CL  
2712 CL CL  . CL  W .   ? 0.95381 0.23845 0.23845 0.00000  0.00000  0.00000  222 CL  A CL  
2713 O  O1  . PEO X .   ? 0.33920 0.33968 0.31847 -0.05327 0.03672  -0.01370 223 PEO A O1  
2714 O  O2  . PEO X .   ? 0.33290 0.33339 0.31117 -0.05517 0.03091  -0.01740 223 PEO A O2  
# 
