data_8Y23
# 
_entry.id   8Y23 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_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   8Y23         pdb_00008y23 10.2210/pdb8y23/pdb 
WWPDB D_1300040373 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-01-29 
# 
_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                        8Y23 
_pdbx_database_status.recvd_initial_deposition_date   2024-01-25 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBJ 
_pdbx_database_status.process_site                    PDBJ 
_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_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          8XG4 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              ssugiyama@kochi-u.ac.jp 
_pdbx_contact_author.name_first         Shigeru 
_pdbx_contact_author.name_last          Sugiyama 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-0563-6799 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Higashiura, A.' 1 ? 
'Yamamoto, A.'   2 ? 
'Sugiyama, S.'   3 ? 
# 
_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                     
;Binding competition between substrates and cryoprotectants in protein crystals directly observed by a hybrid method of in-gel crystallization and high-pressure cryo-cooling in X-ray crystallography
;
_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 'Higashiura, A.' 1 ? 
primary 'Sugiyama, S.'   2 ? 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     nat Streptavidin                                                                     12764.833 4   ? ? ? ? 
2 non-polymer syn 'methyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate' 270.240   4   ? ? ? ? 
3 water       nat water                                                                            18.015    674 ? ? ? ? 
# 
_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       
;AGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSG
QYVGGAEARINTQWLLTSGTTEANAWKSTLVGHDTFTKVKP
;
_entity_poly.pdbx_seq_one_letter_code_can   
;AGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSG
QYVGGAEARINTQWLLTSGTTEANAWKSTLVGHDTFTKVKP
;
_entity_poly.pdbx_strand_id                 A,B,C,D 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'methyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate' 6FX 
3 water                                                                            HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   ALA n 
1 2   GLY n 
1 3   ILE n 
1 4   THR n 
1 5   GLY n 
1 6   THR n 
1 7   TRP n 
1 8   TYR n 
1 9   ASN n 
1 10  GLN n 
1 11  LEU n 
1 12  GLY n 
1 13  SER n 
1 14  THR n 
1 15  PHE n 
1 16  ILE n 
1 17  VAL n 
1 18  THR n 
1 19  ALA n 
1 20  GLY n 
1 21  ALA n 
1 22  ASP n 
1 23  GLY n 
1 24  ALA n 
1 25  LEU n 
1 26  THR n 
1 27  GLY n 
1 28  THR n 
1 29  TYR n 
1 30  GLU n 
1 31  SER n 
1 32  ALA n 
1 33  VAL n 
1 34  GLY n 
1 35  ASN n 
1 36  ALA n 
1 37  GLU n 
1 38  SER n 
1 39  ARG n 
1 40  TYR n 
1 41  VAL n 
1 42  LEU n 
1 43  THR n 
1 44  GLY n 
1 45  ARG n 
1 46  TYR n 
1 47  ASP n 
1 48  SER n 
1 49  ALA n 
1 50  PRO n 
1 51  ALA n 
1 52  THR n 
1 53  ASP n 
1 54  GLY n 
1 55  SER n 
1 56  GLY n 
1 57  THR n 
1 58  ALA n 
1 59  LEU n 
1 60  GLY n 
1 61  TRP n 
1 62  THR n 
1 63  VAL n 
1 64  ALA n 
1 65  TRP n 
1 66  LYS n 
1 67  ASN n 
1 68  ASN n 
1 69  TYR n 
1 70  ARG n 
1 71  ASN n 
1 72  ALA n 
1 73  HIS n 
1 74  SER n 
1 75  ALA n 
1 76  THR n 
1 77  THR n 
1 78  TRP n 
1 79  SER n 
1 80  GLY n 
1 81  GLN n 
1 82  TYR n 
1 83  VAL n 
1 84  GLY n 
1 85  GLY n 
1 86  ALA n 
1 87  GLU n 
1 88  ALA n 
1 89  ARG n 
1 90  ILE n 
1 91  ASN n 
1 92  THR n 
1 93  GLN n 
1 94  TRP n 
1 95  LEU n 
1 96  LEU n 
1 97  THR n 
1 98  SER n 
1 99  GLY n 
1 100 THR n 
1 101 THR n 
1 102 GLU n 
1 103 ALA n 
1 104 ASN n 
1 105 ALA n 
1 106 TRP n 
1 107 LYS n 
1 108 SER n 
1 109 THR n 
1 110 LEU n 
1 111 VAL n 
1 112 GLY n 
1 113 HIS n 
1 114 ASP n 
1 115 THR n 
1 116 PHE n 
1 117 THR n 
1 118 LYS n 
1 119 VAL n 
1 120 LYS n 
1 121 PRO n 
# 
_entity_src_nat.entity_id                  1 
_entity_src_nat.pdbx_src_id                1 
_entity_src_nat.pdbx_alt_source_flag       sample 
_entity_src_nat.pdbx_beg_seq_num           1 
_entity_src_nat.pdbx_end_seq_num           121 
_entity_src_nat.common_name                ? 
_entity_src_nat.pdbx_organism_scientific   'Streptomyces avidinii' 
_entity_src_nat.pdbx_ncbi_taxonomy_id      1895 
_entity_src_nat.genus                      ? 
_entity_src_nat.species                    ? 
_entity_src_nat.strain                     ? 
_entity_src_nat.tissue                     ? 
_entity_src_nat.tissue_fraction            ? 
_entity_src_nat.pdbx_secretion             ? 
_entity_src_nat.pdbx_fragment              ? 
_entity_src_nat.pdbx_variant               ? 
_entity_src_nat.pdbx_cell_line             ? 
_entity_src_nat.pdbx_atcc                  ? 
_entity_src_nat.pdbx_cellular_location     ? 
_entity_src_nat.pdbx_organ                 ? 
_entity_src_nat.pdbx_organelle             ? 
_entity_src_nat.pdbx_cell                  ? 
_entity_src_nat.pdbx_plasmid_name          ? 
_entity_src_nat.pdbx_plasmid_details       ? 
_entity_src_nat.details                    ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
6FX non-polymer         . 'methyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)pyridine-3-carboxylate' 
'methyl 5-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)nicotinate' 'C14 H10 N2 O4'  270.240 
ALA 'L-peptide linking' y ALANINE                                                                          ? 'C3 H7 N O2'     
89.093  
ARG 'L-peptide linking' y ARGININE                                                                         ? 'C6 H15 N4 O2 1' 
175.209 
ASN 'L-peptide linking' y ASPARAGINE                                                                       ? 'C4 H8 N2 O3'    
132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                                                                  ? 'C4 H7 N O4'     
133.103 
GLN 'L-peptide linking' y GLUTAMINE                                                                        ? 'C5 H10 N2 O3'   
146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                                                  ? 'C5 H9 N O4'     
147.129 
GLY 'peptide linking'   y GLYCINE                                                                          ? 'C2 H5 N O2'     
75.067  
HIS 'L-peptide linking' y HISTIDINE                                                                        ? 'C6 H10 N3 O2 1' 
156.162 
HOH non-polymer         . WATER                                                                            ? 'H2 O'           
18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                                                       ? 'C6 H13 N O2'    
131.173 
LEU 'L-peptide linking' y LEUCINE                                                                          ? 'C6 H13 N O2'    
131.173 
LYS 'L-peptide linking' y LYSINE                                                                           ? 'C6 H15 N2 O2 1' 
147.195 
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   ALA 1   15  ?   ?   ?   A . n 
A 1 2   GLY 2   16  16  GLY GLY A . n 
A 1 3   ILE 3   17  17  ILE ILE A . n 
A 1 4   THR 4   18  18  THR THR A . n 
A 1 5   GLY 5   19  19  GLY GLY A . n 
A 1 6   THR 6   20  20  THR THR A . n 
A 1 7   TRP 7   21  21  TRP TRP A . n 
A 1 8   TYR 8   22  22  TYR TYR A . n 
A 1 9   ASN 9   23  23  ASN ASN A . n 
A 1 10  GLN 10  24  24  GLN GLN A . n 
A 1 11  LEU 11  25  25  LEU LEU A . n 
A 1 12  GLY 12  26  26  GLY GLY A . n 
A 1 13  SER 13  27  27  SER SER A . n 
A 1 14  THR 14  28  28  THR THR A . n 
A 1 15  PHE 15  29  29  PHE PHE A . n 
A 1 16  ILE 16  30  30  ILE ILE A . n 
A 1 17  VAL 17  31  31  VAL VAL A . n 
A 1 18  THR 18  32  32  THR THR A . n 
A 1 19  ALA 19  33  33  ALA ALA A . n 
A 1 20  GLY 20  34  34  GLY GLY A . n 
A 1 21  ALA 21  35  35  ALA ALA A . n 
A 1 22  ASP 22  36  36  ASP ASP A . n 
A 1 23  GLY 23  37  37  GLY GLY A . n 
A 1 24  ALA 24  38  38  ALA ALA A . n 
A 1 25  LEU 25  39  39  LEU LEU A . n 
A 1 26  THR 26  40  40  THR THR A . n 
A 1 27  GLY 27  41  41  GLY GLY A . n 
A 1 28  THR 28  42  42  THR THR A . n 
A 1 29  TYR 29  43  43  TYR TYR A . n 
A 1 30  GLU 30  44  44  GLU GLU A . n 
A 1 31  SER 31  45  45  SER SER A . n 
A 1 32  ALA 32  46  46  ALA ALA A . n 
A 1 33  VAL 33  47  47  VAL VAL A . n 
A 1 34  GLY 34  48  48  GLY GLY A . n 
A 1 35  ASN 35  49  49  ASN ASN A . n 
A 1 36  ALA 36  50  50  ALA ALA A . n 
A 1 37  GLU 37  51  51  GLU GLU A . n 
A 1 38  SER 38  52  52  SER SER A . n 
A 1 39  ARG 39  53  53  ARG ARG A . n 
A 1 40  TYR 40  54  54  TYR TYR A . n 
A 1 41  VAL 41  55  55  VAL VAL A . n 
A 1 42  LEU 42  56  56  LEU LEU A . n 
A 1 43  THR 43  57  57  THR THR A . n 
A 1 44  GLY 44  58  58  GLY GLY A . n 
A 1 45  ARG 45  59  59  ARG ARG A . n 
A 1 46  TYR 46  60  60  TYR TYR A . n 
A 1 47  ASP 47  61  61  ASP ASP A . n 
A 1 48  SER 48  62  62  SER SER A . n 
A 1 49  ALA 49  63  63  ALA ALA A . n 
A 1 50  PRO 50  64  64  PRO PRO A . n 
A 1 51  ALA 51  65  65  ALA ALA A . n 
A 1 52  THR 52  66  66  THR THR A . n 
A 1 53  ASP 53  67  67  ASP ASP A . n 
A 1 54  GLY 54  68  68  GLY GLY A . n 
A 1 55  SER 55  69  69  SER SER A . n 
A 1 56  GLY 56  70  70  GLY GLY A . n 
A 1 57  THR 57  71  71  THR THR A . n 
A 1 58  ALA 58  72  72  ALA ALA A . n 
A 1 59  LEU 59  73  73  LEU LEU A . n 
A 1 60  GLY 60  74  74  GLY GLY A . n 
A 1 61  TRP 61  75  75  TRP TRP A . n 
A 1 62  THR 62  76  76  THR THR A . n 
A 1 63  VAL 63  77  77  VAL VAL A . n 
A 1 64  ALA 64  78  78  ALA ALA A . n 
A 1 65  TRP 65  79  79  TRP TRP A . n 
A 1 66  LYS 66  80  80  LYS LYS A . n 
A 1 67  ASN 67  81  81  ASN ASN A . n 
A 1 68  ASN 68  82  82  ASN ASN A . n 
A 1 69  TYR 69  83  83  TYR TYR A . n 
A 1 70  ARG 70  84  84  ARG ARG A . n 
A 1 71  ASN 71  85  85  ASN ASN A . n 
A 1 72  ALA 72  86  86  ALA ALA A . n 
A 1 73  HIS 73  87  87  HIS HIS A . n 
A 1 74  SER 74  88  88  SER SER A . n 
A 1 75  ALA 75  89  89  ALA ALA A . n 
A 1 76  THR 76  90  90  THR THR A . n 
A 1 77  THR 77  91  91  THR THR A . n 
A 1 78  TRP 78  92  92  TRP TRP A . n 
A 1 79  SER 79  93  93  SER SER A . n 
A 1 80  GLY 80  94  94  GLY GLY A . n 
A 1 81  GLN 81  95  95  GLN GLN A . n 
A 1 82  TYR 82  96  96  TYR TYR A . n 
A 1 83  VAL 83  97  97  VAL VAL A . n 
A 1 84  GLY 84  98  98  GLY GLY A . n 
A 1 85  GLY 85  99  99  GLY GLY A . n 
A 1 86  ALA 86  100 100 ALA ALA A . n 
A 1 87  GLU 87  101 101 GLU GLU A . n 
A 1 88  ALA 88  102 102 ALA ALA A . n 
A 1 89  ARG 89  103 103 ARG ARG A . n 
A 1 90  ILE 90  104 104 ILE ILE A . n 
A 1 91  ASN 91  105 105 ASN ASN A . n 
A 1 92  THR 92  106 106 THR THR A . n 
A 1 93  GLN 93  107 107 GLN GLN A . n 
A 1 94  TRP 94  108 108 TRP TRP A . n 
A 1 95  LEU 95  109 109 LEU LEU A . n 
A 1 96  LEU 96  110 110 LEU LEU A . n 
A 1 97  THR 97  111 111 THR THR A . n 
A 1 98  SER 98  112 112 SER SER A . n 
A 1 99  GLY 99  113 113 GLY GLY A . n 
A 1 100 THR 100 114 114 THR THR A . n 
A 1 101 THR 101 115 115 THR THR A . n 
A 1 102 GLU 102 116 116 GLU GLU A . n 
A 1 103 ALA 103 117 117 ALA ALA A . n 
A 1 104 ASN 104 118 118 ASN ASN A . n 
A 1 105 ALA 105 119 119 ALA ALA A . n 
A 1 106 TRP 106 120 120 TRP TRP A . n 
A 1 107 LYS 107 121 121 LYS LYS A . n 
A 1 108 SER 108 122 122 SER SER A . n 
A 1 109 THR 109 123 123 THR THR A . n 
A 1 110 LEU 110 124 124 LEU LEU A . n 
A 1 111 VAL 111 125 125 VAL VAL A . n 
A 1 112 GLY 112 126 126 GLY GLY A . n 
A 1 113 HIS 113 127 127 HIS HIS A . n 
A 1 114 ASP 114 128 128 ASP ASP A . n 
A 1 115 THR 115 129 129 THR THR A . n 
A 1 116 PHE 116 130 130 PHE PHE A . n 
A 1 117 THR 117 131 131 THR THR A . n 
A 1 118 LYS 118 132 132 LYS LYS A . n 
A 1 119 VAL 119 133 133 VAL VAL A . n 
A 1 120 LYS 120 134 134 LYS LYS A . n 
A 1 121 PRO 121 135 135 PRO PRO A . n 
B 1 1   ALA 1   15  ?   ?   ?   B . n 
B 1 2   GLY 2   16  16  GLY GLY B . n 
B 1 3   ILE 3   17  17  ILE ILE B . n 
B 1 4   THR 4   18  18  THR THR B . n 
B 1 5   GLY 5   19  19  GLY GLY B . n 
B 1 6   THR 6   20  20  THR THR B . n 
B 1 7   TRP 7   21  21  TRP TRP B . n 
B 1 8   TYR 8   22  22  TYR TYR B . n 
B 1 9   ASN 9   23  23  ASN ASN B . n 
B 1 10  GLN 10  24  24  GLN GLN B . n 
B 1 11  LEU 11  25  25  LEU LEU B . n 
B 1 12  GLY 12  26  26  GLY GLY B . n 
B 1 13  SER 13  27  27  SER SER B . n 
B 1 14  THR 14  28  28  THR THR B . n 
B 1 15  PHE 15  29  29  PHE PHE B . n 
B 1 16  ILE 16  30  30  ILE ILE B . n 
B 1 17  VAL 17  31  31  VAL VAL B . n 
B 1 18  THR 18  32  32  THR THR B . n 
B 1 19  ALA 19  33  33  ALA ALA B . n 
B 1 20  GLY 20  34  34  GLY GLY B . n 
B 1 21  ALA 21  35  35  ALA ALA B . n 
B 1 22  ASP 22  36  36  ASP ASP B . n 
B 1 23  GLY 23  37  37  GLY GLY B . n 
B 1 24  ALA 24  38  38  ALA ALA B . n 
B 1 25  LEU 25  39  39  LEU LEU B . n 
B 1 26  THR 26  40  40  THR THR B . n 
B 1 27  GLY 27  41  41  GLY GLY B . n 
B 1 28  THR 28  42  42  THR THR B . n 
B 1 29  TYR 29  43  43  TYR TYR B . n 
B 1 30  GLU 30  44  44  GLU GLU B . n 
B 1 31  SER 31  45  45  SER SER B . n 
B 1 32  ALA 32  46  ?   ?   ?   B . n 
B 1 33  VAL 33  47  ?   ?   ?   B . n 
B 1 34  GLY 34  48  48  GLY GLY B . n 
B 1 35  ASN 35  49  49  ASN ASN B . n 
B 1 36  ALA 36  50  50  ALA ALA B . n 
B 1 37  GLU 37  51  51  GLU GLU B . n 
B 1 38  SER 38  52  52  SER SER B . n 
B 1 39  ARG 39  53  53  ARG ARG B . n 
B 1 40  TYR 40  54  54  TYR TYR B . n 
B 1 41  VAL 41  55  55  VAL VAL B . n 
B 1 42  LEU 42  56  56  LEU LEU B . n 
B 1 43  THR 43  57  57  THR THR B . n 
B 1 44  GLY 44  58  58  GLY GLY B . n 
B 1 45  ARG 45  59  59  ARG ARG B . n 
B 1 46  TYR 46  60  60  TYR TYR B . n 
B 1 47  ASP 47  61  61  ASP ASP B . n 
B 1 48  SER 48  62  62  SER SER B . n 
B 1 49  ALA 49  63  63  ALA ALA B . n 
B 1 50  PRO 50  64  64  PRO PRO B . n 
B 1 51  ALA 51  65  65  ALA ALA B . n 
B 1 52  THR 52  66  66  THR THR B . n 
B 1 53  ASP 53  67  67  ASP ASP B . n 
B 1 54  GLY 54  68  68  GLY GLY B . n 
B 1 55  SER 55  69  69  SER SER B . n 
B 1 56  GLY 56  70  70  GLY GLY B . n 
B 1 57  THR 57  71  71  THR THR B . n 
B 1 58  ALA 58  72  72  ALA ALA B . n 
B 1 59  LEU 59  73  73  LEU LEU B . n 
B 1 60  GLY 60  74  74  GLY GLY B . n 
B 1 61  TRP 61  75  75  TRP TRP B . n 
B 1 62  THR 62  76  76  THR THR B . n 
B 1 63  VAL 63  77  77  VAL VAL B . n 
B 1 64  ALA 64  78  78  ALA ALA B . n 
B 1 65  TRP 65  79  79  TRP TRP B . n 
B 1 66  LYS 66  80  80  LYS LYS B . n 
B 1 67  ASN 67  81  81  ASN ASN B . n 
B 1 68  ASN 68  82  82  ASN ASN B . n 
B 1 69  TYR 69  83  83  TYR TYR B . n 
B 1 70  ARG 70  84  84  ARG ARG B . n 
B 1 71  ASN 71  85  85  ASN ASN B . n 
B 1 72  ALA 72  86  86  ALA ALA B . n 
B 1 73  HIS 73  87  87  HIS HIS B . n 
B 1 74  SER 74  88  88  SER SER B . n 
B 1 75  ALA 75  89  89  ALA ALA B . n 
B 1 76  THR 76  90  90  THR THR B . n 
B 1 77  THR 77  91  91  THR THR B . n 
B 1 78  TRP 78  92  92  TRP TRP B . n 
B 1 79  SER 79  93  93  SER SER B . n 
B 1 80  GLY 80  94  94  GLY GLY B . n 
B 1 81  GLN 81  95  95  GLN GLN B . n 
B 1 82  TYR 82  96  96  TYR TYR B . n 
B 1 83  VAL 83  97  97  VAL VAL B . n 
B 1 84  GLY 84  98  98  GLY GLY B . n 
B 1 85  GLY 85  99  99  GLY GLY B . n 
B 1 86  ALA 86  100 100 ALA ALA B . n 
B 1 87  GLU 87  101 101 GLU GLU B . n 
B 1 88  ALA 88  102 102 ALA ALA B . n 
B 1 89  ARG 89  103 103 ARG ARG B . n 
B 1 90  ILE 90  104 104 ILE ILE B . n 
B 1 91  ASN 91  105 105 ASN ASN B . n 
B 1 92  THR 92  106 106 THR THR B . n 
B 1 93  GLN 93  107 107 GLN GLN B . n 
B 1 94  TRP 94  108 108 TRP TRP B . n 
B 1 95  LEU 95  109 109 LEU LEU B . n 
B 1 96  LEU 96  110 110 LEU LEU B . n 
B 1 97  THR 97  111 111 THR THR B . n 
B 1 98  SER 98  112 112 SER SER B . n 
B 1 99  GLY 99  113 113 GLY GLY B . n 
B 1 100 THR 100 114 114 THR THR B . n 
B 1 101 THR 101 115 115 THR THR B . n 
B 1 102 GLU 102 116 116 GLU GLU B . n 
B 1 103 ALA 103 117 117 ALA ALA B . n 
B 1 104 ASN 104 118 118 ASN ASN B . n 
B 1 105 ALA 105 119 119 ALA ALA B . n 
B 1 106 TRP 106 120 120 TRP TRP B . n 
B 1 107 LYS 107 121 121 LYS LYS B . n 
B 1 108 SER 108 122 122 SER SER B . n 
B 1 109 THR 109 123 123 THR THR B . n 
B 1 110 LEU 110 124 124 LEU LEU B . n 
B 1 111 VAL 111 125 125 VAL VAL B . n 
B 1 112 GLY 112 126 126 GLY GLY B . n 
B 1 113 HIS 113 127 127 HIS HIS B . n 
B 1 114 ASP 114 128 128 ASP ASP B . n 
B 1 115 THR 115 129 129 THR THR B . n 
B 1 116 PHE 116 130 130 PHE PHE B . n 
B 1 117 THR 117 131 131 THR THR B . n 
B 1 118 LYS 118 132 132 LYS LYS B . n 
B 1 119 VAL 119 133 133 VAL VAL B . n 
B 1 120 LYS 120 134 134 LYS LYS B . n 
B 1 121 PRO 121 135 ?   ?   ?   B . n 
C 1 1   ALA 1   15  ?   ?   ?   C . n 
C 1 2   GLY 2   16  16  GLY GLY C . n 
C 1 3   ILE 3   17  17  ILE ILE C . n 
C 1 4   THR 4   18  18  THR THR C . n 
C 1 5   GLY 5   19  19  GLY GLY C . n 
C 1 6   THR 6   20  20  THR THR C . n 
C 1 7   TRP 7   21  21  TRP TRP C . n 
C 1 8   TYR 8   22  22  TYR TYR C . n 
C 1 9   ASN 9   23  23  ASN ASN C . n 
C 1 10  GLN 10  24  24  GLN GLN C . n 
C 1 11  LEU 11  25  25  LEU LEU C . n 
C 1 12  GLY 12  26  26  GLY GLY C . n 
C 1 13  SER 13  27  27  SER SER C . n 
C 1 14  THR 14  28  28  THR THR C . n 
C 1 15  PHE 15  29  29  PHE PHE C . n 
C 1 16  ILE 16  30  30  ILE ILE C . n 
C 1 17  VAL 17  31  31  VAL VAL C . n 
C 1 18  THR 18  32  32  THR THR C . n 
C 1 19  ALA 19  33  33  ALA ALA C . n 
C 1 20  GLY 20  34  34  GLY GLY C . n 
C 1 21  ALA 21  35  35  ALA ALA C . n 
C 1 22  ASP 22  36  36  ASP ASP C . n 
C 1 23  GLY 23  37  37  GLY GLY C . n 
C 1 24  ALA 24  38  38  ALA ALA C . n 
C 1 25  LEU 25  39  39  LEU LEU C . n 
C 1 26  THR 26  40  40  THR THR C . n 
C 1 27  GLY 27  41  41  GLY GLY C . n 
C 1 28  THR 28  42  42  THR THR C . n 
C 1 29  TYR 29  43  43  TYR TYR C . n 
C 1 30  GLU 30  44  44  GLU GLU C . n 
C 1 31  SER 31  45  45  SER SER C . n 
C 1 32  ALA 32  46  ?   ?   ?   C . n 
C 1 33  VAL 33  47  ?   ?   ?   C . n 
C 1 34  GLY 34  48  48  GLY GLY C . n 
C 1 35  ASN 35  49  49  ASN ASN C . n 
C 1 36  ALA 36  50  50  ALA ALA C . n 
C 1 37  GLU 37  51  51  GLU GLU C . n 
C 1 38  SER 38  52  52  SER SER C . n 
C 1 39  ARG 39  53  53  ARG ARG C . n 
C 1 40  TYR 40  54  54  TYR TYR C . n 
C 1 41  VAL 41  55  55  VAL VAL C . n 
C 1 42  LEU 42  56  56  LEU LEU C . n 
C 1 43  THR 43  57  57  THR THR C . n 
C 1 44  GLY 44  58  58  GLY GLY C . n 
C 1 45  ARG 45  59  59  ARG ARG C . n 
C 1 46  TYR 46  60  60  TYR TYR C . n 
C 1 47  ASP 47  61  61  ASP ASP C . n 
C 1 48  SER 48  62  62  SER SER C . n 
C 1 49  ALA 49  63  63  ALA ALA C . n 
C 1 50  PRO 50  64  64  PRO PRO C . n 
C 1 51  ALA 51  65  65  ALA ALA C . n 
C 1 52  THR 52  66  66  THR THR C . n 
C 1 53  ASP 53  67  67  ASP ASP C . n 
C 1 54  GLY 54  68  68  GLY GLY C . n 
C 1 55  SER 55  69  69  SER SER C . n 
C 1 56  GLY 56  70  70  GLY GLY C . n 
C 1 57  THR 57  71  71  THR THR C . n 
C 1 58  ALA 58  72  72  ALA ALA C . n 
C 1 59  LEU 59  73  73  LEU LEU C . n 
C 1 60  GLY 60  74  74  GLY GLY C . n 
C 1 61  TRP 61  75  75  TRP TRP C . n 
C 1 62  THR 62  76  76  THR THR C . n 
C 1 63  VAL 63  77  77  VAL VAL C . n 
C 1 64  ALA 64  78  78  ALA ALA C . n 
C 1 65  TRP 65  79  79  TRP TRP C . n 
C 1 66  LYS 66  80  80  LYS LYS C . n 
C 1 67  ASN 67  81  81  ASN ASN C . n 
C 1 68  ASN 68  82  82  ASN ASN C . n 
C 1 69  TYR 69  83  83  TYR TYR C . n 
C 1 70  ARG 70  84  84  ARG ARG C . n 
C 1 71  ASN 71  85  85  ASN ASN C . n 
C 1 72  ALA 72  86  86  ALA ALA C . n 
C 1 73  HIS 73  87  87  HIS HIS C . n 
C 1 74  SER 74  88  88  SER SER C . n 
C 1 75  ALA 75  89  89  ALA ALA C . n 
C 1 76  THR 76  90  90  THR THR C . n 
C 1 77  THR 77  91  91  THR THR C . n 
C 1 78  TRP 78  92  92  TRP TRP C . n 
C 1 79  SER 79  93  93  SER SER C . n 
C 1 80  GLY 80  94  94  GLY GLY C . n 
C 1 81  GLN 81  95  95  GLN GLN C . n 
C 1 82  TYR 82  96  96  TYR TYR C . n 
C 1 83  VAL 83  97  97  VAL VAL C . n 
C 1 84  GLY 84  98  98  GLY GLY C . n 
C 1 85  GLY 85  99  99  GLY GLY C . n 
C 1 86  ALA 86  100 100 ALA ALA C . n 
C 1 87  GLU 87  101 101 GLU GLU C . n 
C 1 88  ALA 88  102 102 ALA ALA C . n 
C 1 89  ARG 89  103 103 ARG ARG C . n 
C 1 90  ILE 90  104 104 ILE ILE C . n 
C 1 91  ASN 91  105 105 ASN ASN C . n 
C 1 92  THR 92  106 106 THR THR C . n 
C 1 93  GLN 93  107 107 GLN GLN C . n 
C 1 94  TRP 94  108 108 TRP TRP C . n 
C 1 95  LEU 95  109 109 LEU LEU C . n 
C 1 96  LEU 96  110 110 LEU LEU C . n 
C 1 97  THR 97  111 111 THR THR C . n 
C 1 98  SER 98  112 112 SER SER C . n 
C 1 99  GLY 99  113 113 GLY GLY C . n 
C 1 100 THR 100 114 114 THR THR C . n 
C 1 101 THR 101 115 115 THR THR C . n 
C 1 102 GLU 102 116 116 GLU GLU C . n 
C 1 103 ALA 103 117 117 ALA ALA C . n 
C 1 104 ASN 104 118 118 ASN ASN C . n 
C 1 105 ALA 105 119 119 ALA ALA C . n 
C 1 106 TRP 106 120 120 TRP TRP C . n 
C 1 107 LYS 107 121 121 LYS LYS C . n 
C 1 108 SER 108 122 122 SER SER C . n 
C 1 109 THR 109 123 123 THR THR C . n 
C 1 110 LEU 110 124 124 LEU LEU C . n 
C 1 111 VAL 111 125 125 VAL VAL C . n 
C 1 112 GLY 112 126 126 GLY GLY C . n 
C 1 113 HIS 113 127 127 HIS HIS C . n 
C 1 114 ASP 114 128 128 ASP ASP C . n 
C 1 115 THR 115 129 129 THR THR C . n 
C 1 116 PHE 116 130 130 PHE PHE C . n 
C 1 117 THR 117 131 131 THR THR C . n 
C 1 118 LYS 118 132 132 LYS LYS C . n 
C 1 119 VAL 119 133 133 VAL VAL C . n 
C 1 120 LYS 120 134 134 LYS LYS C . n 
C 1 121 PRO 121 135 135 PRO PRO C . n 
D 1 1   ALA 1   15  15  ALA ALA D . n 
D 1 2   GLY 2   16  16  GLY GLY D . n 
D 1 3   ILE 3   17  17  ILE ILE D . n 
D 1 4   THR 4   18  18  THR THR D . n 
D 1 5   GLY 5   19  19  GLY GLY D . n 
D 1 6   THR 6   20  20  THR THR D . n 
D 1 7   TRP 7   21  21  TRP TRP D . n 
D 1 8   TYR 8   22  22  TYR TYR D . n 
D 1 9   ASN 9   23  23  ASN ASN D . n 
D 1 10  GLN 10  24  24  GLN GLN D . n 
D 1 11  LEU 11  25  25  LEU LEU D . n 
D 1 12  GLY 12  26  26  GLY GLY D . n 
D 1 13  SER 13  27  27  SER SER D . n 
D 1 14  THR 14  28  28  THR THR D . n 
D 1 15  PHE 15  29  29  PHE PHE D . n 
D 1 16  ILE 16  30  30  ILE ILE D . n 
D 1 17  VAL 17  31  31  VAL VAL D . n 
D 1 18  THR 18  32  32  THR THR D . n 
D 1 19  ALA 19  33  33  ALA ALA D . n 
D 1 20  GLY 20  34  34  GLY GLY D . n 
D 1 21  ALA 21  35  35  ALA ALA D . n 
D 1 22  ASP 22  36  36  ASP ASP D . n 
D 1 23  GLY 23  37  37  GLY GLY D . n 
D 1 24  ALA 24  38  38  ALA ALA D . n 
D 1 25  LEU 25  39  39  LEU LEU D . n 
D 1 26  THR 26  40  40  THR THR D . n 
D 1 27  GLY 27  41  41  GLY GLY D . n 
D 1 28  THR 28  42  42  THR THR D . n 
D 1 29  TYR 29  43  43  TYR TYR D . n 
D 1 30  GLU 30  44  44  GLU GLU D . n 
D 1 31  SER 31  45  45  SER SER D . n 
D 1 32  ALA 32  46  46  ALA ALA D . n 
D 1 33  VAL 33  47  47  VAL VAL D . n 
D 1 34  GLY 34  48  48  GLY GLY D . n 
D 1 35  ASN 35  49  49  ASN ASN D . n 
D 1 36  ALA 36  50  50  ALA ALA D . n 
D 1 37  GLU 37  51  51  GLU GLU D . n 
D 1 38  SER 38  52  52  SER SER D . n 
D 1 39  ARG 39  53  53  ARG ARG D . n 
D 1 40  TYR 40  54  54  TYR TYR D . n 
D 1 41  VAL 41  55  55  VAL VAL D . n 
D 1 42  LEU 42  56  56  LEU LEU D . n 
D 1 43  THR 43  57  57  THR THR D . n 
D 1 44  GLY 44  58  58  GLY GLY D . n 
D 1 45  ARG 45  59  59  ARG ARG D . n 
D 1 46  TYR 46  60  60  TYR TYR D . n 
D 1 47  ASP 47  61  61  ASP ASP D . n 
D 1 48  SER 48  62  62  SER SER D . n 
D 1 49  ALA 49  63  63  ALA ALA D . n 
D 1 50  PRO 50  64  64  PRO PRO D . n 
D 1 51  ALA 51  65  65  ALA ALA D . n 
D 1 52  THR 52  66  66  THR THR D . n 
D 1 53  ASP 53  67  67  ASP ASP D . n 
D 1 54  GLY 54  68  68  GLY GLY D . n 
D 1 55  SER 55  69  69  SER SER D . n 
D 1 56  GLY 56  70  70  GLY GLY D . n 
D 1 57  THR 57  71  71  THR THR D . n 
D 1 58  ALA 58  72  72  ALA ALA D . n 
D 1 59  LEU 59  73  73  LEU LEU D . n 
D 1 60  GLY 60  74  74  GLY GLY D . n 
D 1 61  TRP 61  75  75  TRP TRP D . n 
D 1 62  THR 62  76  76  THR THR D . n 
D 1 63  VAL 63  77  77  VAL VAL D . n 
D 1 64  ALA 64  78  78  ALA ALA D . n 
D 1 65  TRP 65  79  79  TRP TRP D . n 
D 1 66  LYS 66  80  80  LYS LYS D . n 
D 1 67  ASN 67  81  81  ASN ASN D . n 
D 1 68  ASN 68  82  82  ASN ASN D . n 
D 1 69  TYR 69  83  83  TYR TYR D . n 
D 1 70  ARG 70  84  84  ARG ARG D . n 
D 1 71  ASN 71  85  85  ASN ASN D . n 
D 1 72  ALA 72  86  86  ALA ALA D . n 
D 1 73  HIS 73  87  87  HIS HIS D . n 
D 1 74  SER 74  88  88  SER SER D . n 
D 1 75  ALA 75  89  89  ALA ALA D . n 
D 1 76  THR 76  90  90  THR THR D . n 
D 1 77  THR 77  91  91  THR THR D . n 
D 1 78  TRP 78  92  92  TRP TRP D . n 
D 1 79  SER 79  93  93  SER SER D . n 
D 1 80  GLY 80  94  94  GLY GLY D . n 
D 1 81  GLN 81  95  95  GLN GLN D . n 
D 1 82  TYR 82  96  96  TYR TYR D . n 
D 1 83  VAL 83  97  97  VAL VAL D . n 
D 1 84  GLY 84  98  98  GLY GLY D . n 
D 1 85  GLY 85  99  99  GLY GLY D . n 
D 1 86  ALA 86  100 100 ALA ALA D . n 
D 1 87  GLU 87  101 101 GLU GLU D . n 
D 1 88  ALA 88  102 102 ALA ALA D . n 
D 1 89  ARG 89  103 103 ARG ARG D . n 
D 1 90  ILE 90  104 104 ILE ILE D . n 
D 1 91  ASN 91  105 105 ASN ASN D . n 
D 1 92  THR 92  106 106 THR THR D . n 
D 1 93  GLN 93  107 107 GLN GLN D . n 
D 1 94  TRP 94  108 108 TRP TRP D . n 
D 1 95  LEU 95  109 109 LEU LEU D . n 
D 1 96  LEU 96  110 110 LEU LEU D . n 
D 1 97  THR 97  111 111 THR THR D . n 
D 1 98  SER 98  112 112 SER SER D . n 
D 1 99  GLY 99  113 113 GLY GLY D . n 
D 1 100 THR 100 114 114 THR THR D . n 
D 1 101 THR 101 115 115 THR THR D . n 
D 1 102 GLU 102 116 116 GLU GLU D . n 
D 1 103 ALA 103 117 117 ALA ALA D . n 
D 1 104 ASN 104 118 118 ASN ASN D . n 
D 1 105 ALA 105 119 119 ALA ALA D . n 
D 1 106 TRP 106 120 120 TRP TRP D . n 
D 1 107 LYS 107 121 121 LYS LYS D . n 
D 1 108 SER 108 122 122 SER SER D . n 
D 1 109 THR 109 123 123 THR THR D . n 
D 1 110 LEU 110 124 124 LEU LEU D . n 
D 1 111 VAL 111 125 125 VAL VAL D . n 
D 1 112 GLY 112 126 126 GLY GLY D . n 
D 1 113 HIS 113 127 127 HIS HIS D . n 
D 1 114 ASP 114 128 128 ASP ASP D . n 
D 1 115 THR 115 129 129 THR THR D . n 
D 1 116 PHE 116 130 130 PHE PHE D . n 
D 1 117 THR 117 131 131 THR THR D . n 
D 1 118 LYS 118 132 132 LYS LYS D . n 
D 1 119 VAL 119 133 133 VAL VAL D . n 
D 1 120 LYS 120 134 134 LYS LYS D . n 
D 1 121 PRO 121 135 ?   ?   ?   D . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
E 2 6FX 1   201 201 6FX 6FX A . 
F 2 6FX 1   201 201 6FX 6FX B . 
G 2 6FX 1   201 201 6FX 6FX C . 
H 2 6FX 1   201 201 6FX 6FX D . 
I 3 HOH 1   301 665 HOH HOH A . 
I 3 HOH 2   302 647 HOH HOH A . 
I 3 HOH 3   303 407 HOH HOH A . 
I 3 HOH 4   304 539 HOH HOH A . 
I 3 HOH 5   305 219 HOH HOH A . 
I 3 HOH 6   306 689 HOH HOH A . 
I 3 HOH 7   307 450 HOH HOH A . 
I 3 HOH 8   308 296 HOH HOH A . 
I 3 HOH 9   309 339 HOH HOH A . 
I 3 HOH 10  310 245 HOH HOH A . 
I 3 HOH 11  311 184 HOH HOH A . 
I 3 HOH 12  312 335 HOH HOH A . 
I 3 HOH 13  313 314 HOH HOH A . 
I 3 HOH 14  314 128 HOH HOH A . 
I 3 HOH 15  315 155 HOH HOH A . 
I 3 HOH 16  316 691 HOH HOH A . 
I 3 HOH 17  317 12  HOH HOH A . 
I 3 HOH 18  318 67  HOH HOH A . 
I 3 HOH 19  319 195 HOH HOH A . 
I 3 HOH 20  320 230 HOH HOH A . 
I 3 HOH 21  321 4   HOH HOH A . 
I 3 HOH 22  322 36  HOH HOH A . 
I 3 HOH 23  323 124 HOH HOH A . 
I 3 HOH 24  324 103 HOH HOH A . 
I 3 HOH 25  325 406 HOH HOH A . 
I 3 HOH 26  326 448 HOH HOH A . 
I 3 HOH 27  327 291 HOH HOH A . 
I 3 HOH 28  328 275 HOH HOH A . 
I 3 HOH 29  329 31  HOH HOH A . 
I 3 HOH 30  330 221 HOH HOH A . 
I 3 HOH 31  331 299 HOH HOH A . 
I 3 HOH 32  332 149 HOH HOH A . 
I 3 HOH 33  333 242 HOH HOH A . 
I 3 HOH 34  334 16  HOH HOH A . 
I 3 HOH 35  335 3   HOH HOH A . 
I 3 HOH 36  336 330 HOH HOH A . 
I 3 HOH 37  337 404 HOH HOH A . 
I 3 HOH 38  338 220 HOH HOH A . 
I 3 HOH 39  339 595 HOH HOH A . 
I 3 HOH 40  340 442 HOH HOH A . 
I 3 HOH 41  341 84  HOH HOH A . 
I 3 HOH 42  342 47  HOH HOH A . 
I 3 HOH 43  343 498 HOH HOH A . 
I 3 HOH 44  344 268 HOH HOH A . 
I 3 HOH 45  345 379 HOH HOH A . 
I 3 HOH 46  346 333 HOH HOH A . 
I 3 HOH 47  347 34  HOH HOH A . 
I 3 HOH 48  348 104 HOH HOH A . 
I 3 HOH 49  349 361 HOH HOH A . 
I 3 HOH 50  350 488 HOH HOH A . 
I 3 HOH 51  351 198 HOH HOH A . 
I 3 HOH 52  352 386 HOH HOH A . 
I 3 HOH 53  353 585 HOH HOH A . 
I 3 HOH 54  354 292 HOH HOH A . 
I 3 HOH 55  355 576 HOH HOH A . 
I 3 HOH 56  356 22  HOH HOH A . 
I 3 HOH 57  357 206 HOH HOH A . 
I 3 HOH 58  358 521 HOH HOH A . 
I 3 HOH 59  359 136 HOH HOH A . 
I 3 HOH 60  360 49  HOH HOH A . 
I 3 HOH 61  361 645 HOH HOH A . 
I 3 HOH 62  362 87  HOH HOH A . 
I 3 HOH 63  363 461 HOH HOH A . 
I 3 HOH 64  364 57  HOH HOH A . 
I 3 HOH 65  365 99  HOH HOH A . 
I 3 HOH 66  366 179 HOH HOH A . 
I 3 HOH 67  367 247 HOH HOH A . 
I 3 HOH 68  368 687 HOH HOH A . 
I 3 HOH 69  369 355 HOH HOH A . 
I 3 HOH 70  370 147 HOH HOH A . 
I 3 HOH 71  371 238 HOH HOH A . 
I 3 HOH 72  372 634 HOH HOH A . 
I 3 HOH 73  373 11  HOH HOH A . 
I 3 HOH 74  374 100 HOH HOH A . 
I 3 HOH 75  375 654 HOH HOH A . 
I 3 HOH 76  376 281 HOH HOH A . 
I 3 HOH 77  377 234 HOH HOH A . 
I 3 HOH 78  378 677 HOH HOH A . 
I 3 HOH 79  379 493 HOH HOH A . 
I 3 HOH 80  380 389 HOH HOH A . 
I 3 HOH 81  381 123 HOH HOH A . 
I 3 HOH 82  382 21  HOH HOH A . 
I 3 HOH 83  383 121 HOH HOH A . 
I 3 HOH 84  384 508 HOH HOH A . 
I 3 HOH 85  385 676 HOH HOH A . 
I 3 HOH 86  386 59  HOH HOH A . 
I 3 HOH 87  387 134 HOH HOH A . 
I 3 HOH 88  388 675 HOH HOH A . 
I 3 HOH 89  389 233 HOH HOH A . 
I 3 HOH 90  390 354 HOH HOH A . 
I 3 HOH 91  391 533 HOH HOH A . 
I 3 HOH 92  392 211 HOH HOH A . 
I 3 HOH 93  393 570 HOH HOH A . 
I 3 HOH 94  394 170 HOH HOH A . 
I 3 HOH 95  395 27  HOH HOH A . 
I 3 HOH 96  396 381 HOH HOH A . 
I 3 HOH 97  397 114 HOH HOH A . 
I 3 HOH 98  398 352 HOH HOH A . 
I 3 HOH 99  399 196 HOH HOH A . 
I 3 HOH 100 400 372 HOH HOH A . 
I 3 HOH 101 401 503 HOH HOH A . 
I 3 HOH 102 402 515 HOH HOH A . 
I 3 HOH 103 403 516 HOH HOH A . 
I 3 HOH 104 404 644 HOH HOH A . 
I 3 HOH 105 405 414 HOH HOH A . 
I 3 HOH 106 406 663 HOH HOH A . 
I 3 HOH 107 407 96  HOH HOH A . 
I 3 HOH 108 408 235 HOH HOH A . 
I 3 HOH 109 409 415 HOH HOH A . 
I 3 HOH 110 410 208 HOH HOH A . 
I 3 HOH 111 411 32  HOH HOH A . 
I 3 HOH 112 412 98  HOH HOH A . 
I 3 HOH 113 413 438 HOH HOH A . 
I 3 HOH 114 414 660 HOH HOH A . 
I 3 HOH 115 415 594 HOH HOH A . 
I 3 HOH 116 416 365 HOH HOH A . 
I 3 HOH 117 417 212 HOH HOH A . 
I 3 HOH 118 418 679 HOH HOH A . 
I 3 HOH 119 419 526 HOH HOH A . 
I 3 HOH 120 420 207 HOH HOH A . 
I 3 HOH 121 421 548 HOH HOH A . 
I 3 HOH 122 422 172 HOH HOH A . 
I 3 HOH 123 423 132 HOH HOH A . 
I 3 HOH 124 424 649 HOH HOH A . 
I 3 HOH 125 425 374 HOH HOH A . 
I 3 HOH 126 426 593 HOH HOH A . 
I 3 HOH 127 427 283 HOH HOH A . 
I 3 HOH 128 428 65  HOH HOH A . 
I 3 HOH 129 429 625 HOH HOH A . 
I 3 HOH 130 430 424 HOH HOH A . 
I 3 HOH 131 431 366 HOH HOH A . 
I 3 HOH 132 432 346 HOH HOH A . 
I 3 HOH 133 433 117 HOH HOH A . 
I 3 HOH 134 434 467 HOH HOH A . 
I 3 HOH 135 435 137 HOH HOH A . 
I 3 HOH 136 436 454 HOH HOH A . 
I 3 HOH 137 437 257 HOH HOH A . 
I 3 HOH 138 438 204 HOH HOH A . 
I 3 HOH 139 439 263 HOH HOH A . 
I 3 HOH 140 440 559 HOH HOH A . 
I 3 HOH 141 441 362 HOH HOH A . 
I 3 HOH 142 442 192 HOH HOH A . 
I 3 HOH 143 443 668 HOH HOH A . 
I 3 HOH 144 444 637 HOH HOH A . 
I 3 HOH 145 445 358 HOH HOH A . 
I 3 HOH 146 446 387 HOH HOH A . 
I 3 HOH 147 447 651 HOH HOH A . 
I 3 HOH 148 448 332 HOH HOH A . 
I 3 HOH 149 449 154 HOH HOH A . 
I 3 HOH 150 450 529 HOH HOH A . 
I 3 HOH 151 451 274 HOH HOH A . 
I 3 HOH 152 452 350 HOH HOH A . 
I 3 HOH 153 453 500 HOH HOH A . 
I 3 HOH 154 454 427 HOH HOH A . 
I 3 HOH 155 455 439 HOH HOH A . 
I 3 HOH 156 456 575 HOH HOH A . 
I 3 HOH 157 457 489 HOH HOH A . 
I 3 HOH 158 458 542 HOH HOH A . 
I 3 HOH 159 459 525 HOH HOH A . 
I 3 HOH 160 460 550 HOH HOH A . 
I 3 HOH 161 461 611 HOH HOH A . 
I 3 HOH 162 462 661 HOH HOH A . 
I 3 HOH 163 463 571 HOH HOH A . 
I 3 HOH 164 464 496 HOH HOH A . 
I 3 HOH 165 465 447 HOH HOH A . 
I 3 HOH 166 466 443 HOH HOH A . 
I 3 HOH 167 467 266 HOH HOH A . 
I 3 HOH 168 468 474 HOH HOH A . 
I 3 HOH 169 469 528 HOH HOH A . 
I 3 HOH 170 470 455 HOH HOH A . 
I 3 HOH 171 471 302 HOH HOH A . 
I 3 HOH 172 472 190 HOH HOH A . 
I 3 HOH 173 473 197 HOH HOH A . 
I 3 HOH 174 474 336 HOH HOH A . 
I 3 HOH 175 475 286 HOH HOH A . 
I 3 HOH 176 476 552 HOH HOH A . 
I 3 HOH 177 477 279 HOH HOH A . 
I 3 HOH 178 478 643 HOH HOH A . 
I 3 HOH 179 479 673 HOH HOH A . 
I 3 HOH 180 480 499 HOH HOH A . 
I 3 HOH 181 481 566 HOH HOH A . 
I 3 HOH 182 482 460 HOH HOH A . 
I 3 HOH 183 483 606 HOH HOH A . 
I 3 HOH 184 484 412 HOH HOH A . 
I 3 HOH 185 485 371 HOH HOH A . 
I 3 HOH 186 486 669 HOH HOH A . 
I 3 HOH 187 487 479 HOH HOH A . 
I 3 HOH 188 488 436 HOH HOH A . 
I 3 HOH 189 489 693 HOH HOH A . 
I 3 HOH 190 490 312 HOH HOH A . 
I 3 HOH 191 491 435 HOH HOH A . 
I 3 HOH 192 492 248 HOH HOH A . 
I 3 HOH 193 493 270 HOH HOH A . 
I 3 HOH 194 494 160 HOH HOH A . 
I 3 HOH 195 495 543 HOH HOH A . 
I 3 HOH 196 496 619 HOH HOH A . 
I 3 HOH 197 497 501 HOH HOH A . 
I 3 HOH 198 498 610 HOH HOH A . 
J 3 HOH 1   301 561 HOH HOH B . 
J 3 HOH 2   302 497 HOH HOH B . 
J 3 HOH 3   303 513 HOH HOH B . 
J 3 HOH 4   304 471 HOH HOH B . 
J 3 HOH 5   305 125 HOH HOH B . 
J 3 HOH 6   306 93  HOH HOH B . 
J 3 HOH 7   307 94  HOH HOH B . 
J 3 HOH 8   308 276 HOH HOH B . 
J 3 HOH 9   309 343 HOH HOH B . 
J 3 HOH 10  310 328 HOH HOH B . 
J 3 HOH 11  311 531 HOH HOH B . 
J 3 HOH 12  312 309 HOH HOH B . 
J 3 HOH 13  313 141 HOH HOH B . 
J 3 HOH 14  314 209 HOH HOH B . 
J 3 HOH 15  315 325 HOH HOH B . 
J 3 HOH 16  316 64  HOH HOH B . 
J 3 HOH 17  317 200 HOH HOH B . 
J 3 HOH 18  318 229 HOH HOH B . 
J 3 HOH 19  319 109 HOH HOH B . 
J 3 HOH 20  320 157 HOH HOH B . 
J 3 HOH 21  321 231 HOH HOH B . 
J 3 HOH 22  322 378 HOH HOH B . 
J 3 HOH 23  323 115 HOH HOH B . 
J 3 HOH 24  324 205 HOH HOH B . 
J 3 HOH 25  325 8   HOH HOH B . 
J 3 HOH 26  326 403 HOH HOH B . 
J 3 HOH 27  327 202 HOH HOH B . 
J 3 HOH 28  328 574 HOH HOH B . 
J 3 HOH 29  329 6   HOH HOH B . 
J 3 HOH 30  330 51  HOH HOH B . 
J 3 HOH 31  331 445 HOH HOH B . 
J 3 HOH 32  332 145 HOH HOH B . 
J 3 HOH 33  333 140 HOH HOH B . 
J 3 HOH 34  334 213 HOH HOH B . 
J 3 HOH 35  335 91  HOH HOH B . 
J 3 HOH 36  336 116 HOH HOH B . 
J 3 HOH 37  337 19  HOH HOH B . 
J 3 HOH 38  338 38  HOH HOH B . 
J 3 HOH 39  339 7   HOH HOH B . 
J 3 HOH 40  340 398 HOH HOH B . 
J 3 HOH 41  341 349 HOH HOH B . 
J 3 HOH 42  342 506 HOH HOH B . 
J 3 HOH 43  343 618 HOH HOH B . 
J 3 HOH 44  344 239 HOH HOH B . 
J 3 HOH 45  345 37  HOH HOH B . 
J 3 HOH 46  346 449 HOH HOH B . 
J 3 HOH 47  347 370 HOH HOH B . 
J 3 HOH 48  348 502 HOH HOH B . 
J 3 HOH 49  349 45  HOH HOH B . 
J 3 HOH 50  350 169 HOH HOH B . 
J 3 HOH 51  351 130 HOH HOH B . 
J 3 HOH 52  352 163 HOH HOH B . 
J 3 HOH 53  353 364 HOH HOH B . 
J 3 HOH 54  354 33  HOH HOH B . 
J 3 HOH 55  355 188 HOH HOH B . 
J 3 HOH 56  356 426 HOH HOH B . 
J 3 HOH 57  357 39  HOH HOH B . 
J 3 HOH 58  358 664 HOH HOH B . 
J 3 HOH 59  359 512 HOH HOH B . 
J 3 HOH 60  360 139 HOH HOH B . 
J 3 HOH 61  361 269 HOH HOH B . 
J 3 HOH 62  362 156 HOH HOH B . 
J 3 HOH 63  363 150 HOH HOH B . 
J 3 HOH 64  364 78  HOH HOH B . 
J 3 HOH 65  365 118 HOH HOH B . 
J 3 HOH 66  366 126 HOH HOH B . 
J 3 HOH 67  367 108 HOH HOH B . 
J 3 HOH 68  368 267 HOH HOH B . 
J 3 HOH 69  369 80  HOH HOH B . 
J 3 HOH 70  370 227 HOH HOH B . 
J 3 HOH 71  371 90  HOH HOH B . 
J 3 HOH 72  372 635 HOH HOH B . 
J 3 HOH 73  373 95  HOH HOH B . 
J 3 HOH 74  374 28  HOH HOH B . 
J 3 HOH 75  375 42  HOH HOH B . 
J 3 HOH 76  376 85  HOH HOH B . 
J 3 HOH 77  377 340 HOH HOH B . 
J 3 HOH 78  378 383 HOH HOH B . 
J 3 HOH 79  379 168 HOH HOH B . 
J 3 HOH 80  380 102 HOH HOH B . 
J 3 HOH 81  381 422 HOH HOH B . 
J 3 HOH 82  382 262 HOH HOH B . 
J 3 HOH 83  383 420 HOH HOH B . 
J 3 HOH 84  384 54  HOH HOH B . 
J 3 HOH 85  385 88  HOH HOH B . 
J 3 HOH 86  386 76  HOH HOH B . 
J 3 HOH 87  387 232 HOH HOH B . 
J 3 HOH 88  388 591 HOH HOH B . 
J 3 HOH 89  389 277 HOH HOH B . 
J 3 HOH 90  390 615 HOH HOH B . 
J 3 HOH 91  391 133 HOH HOH B . 
J 3 HOH 92  392 416 HOH HOH B . 
J 3 HOH 93  393 452 HOH HOH B . 
J 3 HOH 94  394 105 HOH HOH B . 
J 3 HOH 95  395 510 HOH HOH B . 
J 3 HOH 96  396 110 HOH HOH B . 
J 3 HOH 97  397 686 HOH HOH B . 
J 3 HOH 98  398 351 HOH HOH B . 
J 3 HOH 99  399 563 HOH HOH B . 
J 3 HOH 100 400 329 HOH HOH B . 
J 3 HOH 101 401 258 HOH HOH B . 
J 3 HOH 102 402 151 HOH HOH B . 
J 3 HOH 103 403 468 HOH HOH B . 
J 3 HOH 104 404 86  HOH HOH B . 
J 3 HOH 105 405 107 HOH HOH B . 
J 3 HOH 106 406 113 HOH HOH B . 
J 3 HOH 107 407 392 HOH HOH B . 
J 3 HOH 108 408 401 HOH HOH B . 
J 3 HOH 109 409 368 HOH HOH B . 
J 3 HOH 110 410 259 HOH HOH B . 
J 3 HOH 111 411 613 HOH HOH B . 
J 3 HOH 112 412 607 HOH HOH B . 
J 3 HOH 113 413 410 HOH HOH B . 
J 3 HOH 114 414 256 HOH HOH B . 
J 3 HOH 115 415 252 HOH HOH B . 
J 3 HOH 116 416 490 HOH HOH B . 
J 3 HOH 117 417 251 HOH HOH B . 
J 3 HOH 118 418 514 HOH HOH B . 
J 3 HOH 119 419 313 HOH HOH B . 
J 3 HOH 120 420 384 HOH HOH B . 
J 3 HOH 121 421 458 HOH HOH B . 
J 3 HOH 122 422 648 HOH HOH B . 
J 3 HOH 123 423 201 HOH HOH B . 
J 3 HOH 124 424 650 HOH HOH B . 
J 3 HOH 125 425 666 HOH HOH B . 
J 3 HOH 126 426 413 HOH HOH B . 
J 3 HOH 127 427 590 HOH HOH B . 
J 3 HOH 128 428 646 HOH HOH B . 
J 3 HOH 129 429 541 HOH HOH B . 
J 3 HOH 130 430 405 HOH HOH B . 
J 3 HOH 131 431 272 HOH HOH B . 
J 3 HOH 132 432 215 HOH HOH B . 
J 3 HOH 133 433 554 HOH HOH B . 
J 3 HOH 134 434 71  HOH HOH B . 
J 3 HOH 135 435 222 HOH HOH B . 
J 3 HOH 136 436 446 HOH HOH B . 
J 3 HOH 137 437 348 HOH HOH B . 
J 3 HOH 138 438 549 HOH HOH B . 
J 3 HOH 139 439 667 HOH HOH B . 
J 3 HOH 140 440 225 HOH HOH B . 
J 3 HOH 141 441 511 HOH HOH B . 
J 3 HOH 142 442 656 HOH HOH B . 
J 3 HOH 143 443 537 HOH HOH B . 
J 3 HOH 144 444 476 HOH HOH B . 
J 3 HOH 145 445 551 HOH HOH B . 
K 3 HOH 1   301 400 HOH HOH C . 
K 3 HOH 2   302 484 HOH HOH C . 
K 3 HOH 3   303 463 HOH HOH C . 
K 3 HOH 4   304 565 HOH HOH C . 
K 3 HOH 5   305 638 HOH HOH C . 
K 3 HOH 6   306 271 HOH HOH C . 
K 3 HOH 7   307 530 HOH HOH C . 
K 3 HOH 8   308 97  HOH HOH C . 
K 3 HOH 9   309 623 HOH HOH C . 
K 3 HOH 10  310 544 HOH HOH C . 
K 3 HOH 11  311 217 HOH HOH C . 
K 3 HOH 12  312 287 HOH HOH C . 
K 3 HOH 13  313 5   HOH HOH C . 
K 3 HOH 14  314 584 HOH HOH C . 
K 3 HOH 15  315 596 HOH HOH C . 
K 3 HOH 16  316 289 HOH HOH C . 
K 3 HOH 17  317 653 HOH HOH C . 
K 3 HOH 18  318 434 HOH HOH C . 
K 3 HOH 19  319 305 HOH HOH C . 
K 3 HOH 20  320 194 HOH HOH C . 
K 3 HOH 21  321 26  HOH HOH C . 
K 3 HOH 22  322 148 HOH HOH C . 
K 3 HOH 23  323 43  HOH HOH C . 
K 3 HOH 24  324 480 HOH HOH C . 
K 3 HOH 25  325 1   HOH HOH C . 
K 3 HOH 26  326 159 HOH HOH C . 
K 3 HOH 27  327 486 HOH HOH C . 
K 3 HOH 28  328 240 HOH HOH C . 
K 3 HOH 29  329 244 HOH HOH C . 
K 3 HOH 30  330 135 HOH HOH C . 
K 3 HOH 31  331 138 HOH HOH C . 
K 3 HOH 32  332 61  HOH HOH C . 
K 3 HOH 33  333 58  HOH HOH C . 
K 3 HOH 34  334 173 HOH HOH C . 
K 3 HOH 35  335 532 HOH HOH C . 
K 3 HOH 36  336 306 HOH HOH C . 
K 3 HOH 37  337 320 HOH HOH C . 
K 3 HOH 38  338 228 HOH HOH C . 
K 3 HOH 39  339 507 HOH HOH C . 
K 3 HOH 40  340 518 HOH HOH C . 
K 3 HOH 41  341 342 HOH HOH C . 
K 3 HOH 42  342 224 HOH HOH C . 
K 3 HOH 43  343 14  HOH HOH C . 
K 3 HOH 44  344 89  HOH HOH C . 
K 3 HOH 45  345 254 HOH HOH C . 
K 3 HOH 46  346 310 HOH HOH C . 
K 3 HOH 47  347 527 HOH HOH C . 
K 3 HOH 48  348 308 HOH HOH C . 
K 3 HOH 49  349 641 HOH HOH C . 
K 3 HOH 50  350 341 HOH HOH C . 
K 3 HOH 51  351 311 HOH HOH C . 
K 3 HOH 52  352 119 HOH HOH C . 
K 3 HOH 53  353 70  HOH HOH C . 
K 3 HOH 54  354 567 HOH HOH C . 
K 3 HOH 55  355 9   HOH HOH C . 
K 3 HOH 56  356 35  HOH HOH C . 
K 3 HOH 57  357 556 HOH HOH C . 
K 3 HOH 58  358 223 HOH HOH C . 
K 3 HOH 59  359 44  HOH HOH C . 
K 3 HOH 60  360 75  HOH HOH C . 
K 3 HOH 61  361 10  HOH HOH C . 
K 3 HOH 62  362 396 HOH HOH C . 
K 3 HOH 63  363 111 HOH HOH C . 
K 3 HOH 64  364 52  HOH HOH C . 
K 3 HOH 65  365 30  HOH HOH C . 
K 3 HOH 66  366 199 HOH HOH C . 
K 3 HOH 67  367 144 HOH HOH C . 
K 3 HOH 68  368 357 HOH HOH C . 
K 3 HOH 69  369 81  HOH HOH C . 
K 3 HOH 70  370 41  HOH HOH C . 
K 3 HOH 71  371 181 HOH HOH C . 
K 3 HOH 72  372 203 HOH HOH C . 
K 3 HOH 73  373 304 HOH HOH C . 
K 3 HOH 74  374 469 HOH HOH C . 
K 3 HOH 75  375 253 HOH HOH C . 
K 3 HOH 76  376 385 HOH HOH C . 
K 3 HOH 77  377 640 HOH HOH C . 
K 3 HOH 78  378 293 HOH HOH C . 
K 3 HOH 79  379 175 HOH HOH C . 
K 3 HOH 80  380 558 HOH HOH C . 
K 3 HOH 81  381 73  HOH HOH C . 
K 3 HOH 82  382 176 HOH HOH C . 
K 3 HOH 83  383 321 HOH HOH C . 
K 3 HOH 84  384 23  HOH HOH C . 
K 3 HOH 85  385 572 HOH HOH C . 
K 3 HOH 86  386 356 HOH HOH C . 
K 3 HOH 87  387 441 HOH HOH C . 
K 3 HOH 88  388 131 HOH HOH C . 
K 3 HOH 89  389 178 HOH HOH C . 
K 3 HOH 90  390 167 HOH HOH C . 
K 3 HOH 91  391 337 HOH HOH C . 
K 3 HOH 92  392 419 HOH HOH C . 
K 3 HOH 93  393 265 HOH HOH C . 
K 3 HOH 94  394 250 HOH HOH C . 
K 3 HOH 95  395 174 HOH HOH C . 
K 3 HOH 96  396 402 HOH HOH C . 
K 3 HOH 97  397 478 HOH HOH C . 
K 3 HOH 98  398 246 HOH HOH C . 
K 3 HOH 99  399 273 HOH HOH C . 
K 3 HOH 100 400 612 HOH HOH C . 
K 3 HOH 101 401 520 HOH HOH C . 
K 3 HOH 102 402 210 HOH HOH C . 
K 3 HOH 103 403 243 HOH HOH C . 
K 3 HOH 104 404 142 HOH HOH C . 
K 3 HOH 105 405 429 HOH HOH C . 
K 3 HOH 106 406 260 HOH HOH C . 
K 3 HOH 107 407 659 HOH HOH C . 
K 3 HOH 108 408 409 HOH HOH C . 
K 3 HOH 109 409 390 HOH HOH C . 
K 3 HOH 110 410 573 HOH HOH C . 
K 3 HOH 111 411 451 HOH HOH C . 
K 3 HOH 112 412 670 HOH HOH C . 
K 3 HOH 113 413 589 HOH HOH C . 
K 3 HOH 114 414 395 HOH HOH C . 
K 3 HOH 115 415 483 HOH HOH C . 
K 3 HOH 116 416 53  HOH HOH C . 
K 3 HOH 117 417 423 HOH HOH C . 
K 3 HOH 118 418 545 HOH HOH C . 
K 3 HOH 119 419 614 HOH HOH C . 
K 3 HOH 120 420 363 HOH HOH C . 
K 3 HOH 121 421 472 HOH HOH C . 
K 3 HOH 122 422 603 HOH HOH C . 
K 3 HOH 123 423 608 HOH HOH C . 
K 3 HOH 124 424 560 HOH HOH C . 
K 3 HOH 125 425 345 HOH HOH C . 
K 3 HOH 126 426 183 HOH HOH C . 
K 3 HOH 127 427 347 HOH HOH C . 
K 3 HOH 128 428 284 HOH HOH C . 
K 3 HOH 129 429 331 HOH HOH C . 
K 3 HOH 130 430 477 HOH HOH C . 
K 3 HOH 131 431 40  HOH HOH C . 
K 3 HOH 132 432 326 HOH HOH C . 
K 3 HOH 133 433 517 HOH HOH C . 
K 3 HOH 134 434 626 HOH HOH C . 
K 3 HOH 135 435 616 HOH HOH C . 
K 3 HOH 136 436 605 HOH HOH C . 
K 3 HOH 137 437 377 HOH HOH C . 
K 3 HOH 138 438 535 HOH HOH C . 
K 3 HOH 139 439 569 HOH HOH C . 
K 3 HOH 140 440 393 HOH HOH C . 
K 3 HOH 141 441 459 HOH HOH C . 
K 3 HOH 142 442 600 HOH HOH C . 
K 3 HOH 143 443 658 HOH HOH C . 
K 3 HOH 144 444 582 HOH HOH C . 
K 3 HOH 145 445 470 HOH HOH C . 
K 3 HOH 146 446 540 HOH HOH C . 
K 3 HOH 147 447 456 HOH HOH C . 
K 3 HOH 148 448 473 HOH HOH C . 
K 3 HOH 149 449 547 HOH HOH C . 
K 3 HOH 150 450 592 HOH HOH C . 
K 3 HOH 151 451 334 HOH HOH C . 
K 3 HOH 152 452 604 HOH HOH C . 
K 3 HOH 153 453 555 HOH HOH C . 
K 3 HOH 154 454 609 HOH HOH C . 
K 3 HOH 155 455 180 HOH HOH C . 
K 3 HOH 156 456 282 HOH HOH C . 
K 3 HOH 157 457 504 HOH HOH C . 
K 3 HOH 158 458 538 HOH HOH C . 
K 3 HOH 159 459 433 HOH HOH C . 
K 3 HOH 160 460 491 HOH HOH C . 
K 3 HOH 161 461 376 HOH HOH C . 
K 3 HOH 162 462 285 HOH HOH C . 
K 3 HOH 163 463 189 HOH HOH C . 
K 3 HOH 164 464 546 HOH HOH C . 
K 3 HOH 165 465 495 HOH HOH C . 
K 3 HOH 166 466 457 HOH HOH C . 
K 3 HOH 167 467 421 HOH HOH C . 
K 3 HOH 168 468 494 HOH HOH C . 
K 3 HOH 169 469 662 HOH HOH C . 
K 3 HOH 170 470 678 HOH HOH C . 
L 3 HOH 1   301 380 HOH HOH D . 
L 3 HOH 2   302 68  HOH HOH D . 
L 3 HOH 3   303 367 HOH HOH D . 
L 3 HOH 4   304 586 HOH HOH D . 
L 3 HOH 5   305 322 HOH HOH D . 
L 3 HOH 6   306 523 HOH HOH D . 
L 3 HOH 7   307 353 HOH HOH D . 
L 3 HOH 8   308 534 HOH HOH D . 
L 3 HOH 9   309 15  HOH HOH D . 
L 3 HOH 10  310 20  HOH HOH D . 
L 3 HOH 11  311 77  HOH HOH D . 
L 3 HOH 12  312 185 HOH HOH D . 
L 3 HOH 13  313 249 HOH HOH D . 
L 3 HOH 14  314 241 HOH HOH D . 
L 3 HOH 15  315 2   HOH HOH D . 
L 3 HOH 16  316 319 HOH HOH D . 
L 3 HOH 17  317 294 HOH HOH D . 
L 3 HOH 18  318 143 HOH HOH D . 
L 3 HOH 19  319 72  HOH HOH D . 
L 3 HOH 20  320 408 HOH HOH D . 
L 3 HOH 21  321 191 HOH HOH D . 
L 3 HOH 22  322 627 HOH HOH D . 
L 3 HOH 23  323 399 HOH HOH D . 
L 3 HOH 24  324 92  HOH HOH D . 
L 3 HOH 25  325 193 HOH HOH D . 
L 3 HOH 26  326 24  HOH HOH D . 
L 3 HOH 27  327 255 HOH HOH D . 
L 3 HOH 28  328 568 HOH HOH D . 
L 3 HOH 29  329 440 HOH HOH D . 
L 3 HOH 30  330 55  HOH HOH D . 
L 3 HOH 31  331 66  HOH HOH D . 
L 3 HOH 32  332 69  HOH HOH D . 
L 3 HOH 33  333 120 HOH HOH D . 
L 3 HOH 34  334 295 HOH HOH D . 
L 3 HOH 35  335 101 HOH HOH D . 
L 3 HOH 36  336 475 HOH HOH D . 
L 3 HOH 37  337 315 HOH HOH D . 
L 3 HOH 38  338 162 HOH HOH D . 
L 3 HOH 39  339 303 HOH HOH D . 
L 3 HOH 40  340 444 HOH HOH D . 
L 3 HOH 41  341 18  HOH HOH D . 
L 3 HOH 42  342 437 HOH HOH D . 
L 3 HOH 43  343 25  HOH HOH D . 
L 3 HOH 44  344 492 HOH HOH D . 
L 3 HOH 45  345 519 HOH HOH D . 
L 3 HOH 46  346 146 HOH HOH D . 
L 3 HOH 47  347 323 HOH HOH D . 
L 3 HOH 48  348 432 HOH HOH D . 
L 3 HOH 49  349 29  HOH HOH D . 
L 3 HOH 50  350 152 HOH HOH D . 
L 3 HOH 51  351 165 HOH HOH D . 
L 3 HOH 52  352 182 HOH HOH D . 
L 3 HOH 53  353 60  HOH HOH D . 
L 3 HOH 54  354 690 HOH HOH D . 
L 3 HOH 55  355 382 HOH HOH D . 
L 3 HOH 56  356 63  HOH HOH D . 
L 3 HOH 57  357 487 HOH HOH D . 
L 3 HOH 58  358 226 HOH HOH D . 
L 3 HOH 59  359 79  HOH HOH D . 
L 3 HOH 60  360 214 HOH HOH D . 
L 3 HOH 61  361 13  HOH HOH D . 
L 3 HOH 62  362 50  HOH HOH D . 
L 3 HOH 63  363 166 HOH HOH D . 
L 3 HOH 64  364 106 HOH HOH D . 
L 3 HOH 65  365 431 HOH HOH D . 
L 3 HOH 66  366 171 HOH HOH D . 
L 3 HOH 67  367 153 HOH HOH D . 
L 3 HOH 68  368 216 HOH HOH D . 
L 3 HOH 69  369 317 HOH HOH D . 
L 3 HOH 70  370 218 HOH HOH D . 
L 3 HOH 71  371 187 HOH HOH D . 
L 3 HOH 72  372 17  HOH HOH D . 
L 3 HOH 73  373 369 HOH HOH D . 
L 3 HOH 74  374 505 HOH HOH D . 
L 3 HOH 75  375 425 HOH HOH D . 
L 3 HOH 76  376 127 HOH HOH D . 
L 3 HOH 77  377 583 HOH HOH D . 
L 3 HOH 78  378 388 HOH HOH D . 
L 3 HOH 79  379 112 HOH HOH D . 
L 3 HOH 80  380 261 HOH HOH D . 
L 3 HOH 81  381 597 HOH HOH D . 
L 3 HOH 82  382 46  HOH HOH D . 
L 3 HOH 83  383 481 HOH HOH D . 
L 3 HOH 84  384 588 HOH HOH D . 
L 3 HOH 85  385 462 HOH HOH D . 
L 3 HOH 86  386 297 HOH HOH D . 
L 3 HOH 87  387 642 HOH HOH D . 
L 3 HOH 88  388 62  HOH HOH D . 
L 3 HOH 89  389 280 HOH HOH D . 
L 3 HOH 90  390 161 HOH HOH D . 
L 3 HOH 91  391 344 HOH HOH D . 
L 3 HOH 92  392 237 HOH HOH D . 
L 3 HOH 93  393 373 HOH HOH D . 
L 3 HOH 94  394 536 HOH HOH D . 
L 3 HOH 95  395 411 HOH HOH D . 
L 3 HOH 96  396 301 HOH HOH D . 
L 3 HOH 97  397 278 HOH HOH D . 
L 3 HOH 98  398 359 HOH HOH D . 
L 3 HOH 99  399 298 HOH HOH D . 
L 3 HOH 100 400 48  HOH HOH D . 
L 3 HOH 101 401 601 HOH HOH D . 
L 3 HOH 102 402 430 HOH HOH D . 
L 3 HOH 103 403 564 HOH HOH D . 
L 3 HOH 104 404 324 HOH HOH D . 
L 3 HOH 105 405 316 HOH HOH D . 
L 3 HOH 106 406 186 HOH HOH D . 
L 3 HOH 107 407 74  HOH HOH D . 
L 3 HOH 108 408 360 HOH HOH D . 
L 3 HOH 109 409 636 HOH HOH D . 
L 3 HOH 110 410 557 HOH HOH D . 
L 3 HOH 111 411 290 HOH HOH D . 
L 3 HOH 112 412 158 HOH HOH D . 
L 3 HOH 113 413 56  HOH HOH D . 
L 3 HOH 114 414 509 HOH HOH D . 
L 3 HOH 115 415 652 HOH HOH D . 
L 3 HOH 116 416 524 HOH HOH D . 
L 3 HOH 117 417 264 HOH HOH D . 
L 3 HOH 118 418 683 HOH HOH D . 
L 3 HOH 119 419 307 HOH HOH D . 
L 3 HOH 120 420 129 HOH HOH D . 
L 3 HOH 121 421 630 HOH HOH D . 
L 3 HOH 122 422 598 HOH HOH D . 
L 3 HOH 123 423 418 HOH HOH D . 
L 3 HOH 124 424 466 HOH HOH D . 
L 3 HOH 125 425 602 HOH HOH D . 
L 3 HOH 126 426 688 HOH HOH D . 
L 3 HOH 127 427 318 HOH HOH D . 
L 3 HOH 128 428 122 HOH HOH D . 
L 3 HOH 129 429 581 HOH HOH D . 
L 3 HOH 130 430 375 HOH HOH D . 
L 3 HOH 131 431 417 HOH HOH D . 
L 3 HOH 132 432 685 HOH HOH D . 
L 3 HOH 133 433 82  HOH HOH D . 
L 3 HOH 134 434 465 HOH HOH D . 
L 3 HOH 135 435 391 HOH HOH D . 
L 3 HOH 136 436 577 HOH HOH D . 
L 3 HOH 137 437 300 HOH HOH D . 
L 3 HOH 138 438 288 HOH HOH D . 
L 3 HOH 139 439 624 HOH HOH D . 
L 3 HOH 140 440 177 HOH HOH D . 
L 3 HOH 141 441 579 HOH HOH D . 
L 3 HOH 142 442 482 HOH HOH D . 
L 3 HOH 143 443 164 HOH HOH D . 
L 3 HOH 144 444 327 HOH HOH D . 
L 3 HOH 145 445 587 HOH HOH D . 
L 3 HOH 146 446 632 HOH HOH D . 
L 3 HOH 147 447 397 HOH HOH D . 
L 3 HOH 148 448 428 HOH HOH D . 
L 3 HOH 149 449 83  HOH HOH D . 
L 3 HOH 150 450 681 HOH HOH D . 
L 3 HOH 151 451 453 HOH HOH D . 
L 3 HOH 152 452 338 HOH HOH D . 
L 3 HOH 153 453 562 HOH HOH D . 
L 3 HOH 154 454 578 HOH HOH D . 
L 3 HOH 155 455 672 HOH HOH D . 
L 3 HOH 156 456 692 HOH HOH D . 
L 3 HOH 157 457 485 HOH HOH D . 
L 3 HOH 158 458 394 HOH HOH D . 
L 3 HOH 159 459 236 HOH HOH D . 
L 3 HOH 160 460 680 HOH HOH D . 
L 3 HOH 161 461 553 HOH HOH D . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? '(1.20.1_4487: ???)' 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .                    2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .                    3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? MOLREP  ? ? ? .                    4 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   99.17 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8Y23 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     46.918 
_cell.length_a_esd                 ? 
_cell.length_b                     86.004 
_cell.length_b_esd                 ? 
_cell.length_c                     58.402 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_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                         8Y23 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                4 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 1 21 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   8Y23 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.31 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          46.80 
_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              ? 
_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 MES pH 6.0, 20% PEG 1000' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     CCD 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'RAYONIX MX300HE' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2017-12-20 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9 
_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                        'SPRING-8 BEAMLINE BL44XU' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL44XU 
_diffrn_source.pdbx_synchrotron_site       SPring-8 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8Y23 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.48 
_reflns.d_resolution_low                               47.89 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     76085 
_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                           99.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                4.2 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          9.0 
_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                                   0.997 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.48 
_reflns_shell.d_res_low                                     1.51 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.5 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             3763 
_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                                  0.715 
_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                               ? 
_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                                 8Y23 
_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                             46.32 
_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                     76050 
_refine.ls_number_reflns_R_free                  3805 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.91 
_refine.ls_percent_reflns_R_free                 5.00 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1410 
_refine.ls_R_factor_R_free                       0.1929 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1383 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.39 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ML 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 17.66 
_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                            0.17 
_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                        46.32 
_refine_hist.number_atoms_solvent             674 
_refine_hist.number_atoms_total               4314 
_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        3560 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         80 
_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' ? 0.005  ? 3795 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.782  ? 5207 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 11.279 ? 1274 ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.081  ? 566  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.004  ? 655  ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.48 1.50  . . 147 2661 100.00 . . . . 0.2162 . . . . . . . . . . . 0.2666 
'X-RAY DIFFRACTION' 1.50 1.52  . . 116 2672 100.00 . . . . 0.1940 . . . . . . . . . . . 0.2269 
'X-RAY DIFFRACTION' 1.52 1.54  . . 150 2664 100.00 . . . . 0.1910 . . . . . . . . . . . 0.2692 
'X-RAY DIFFRACTION' 1.54 1.56  . . 146 2684 100.00 . . . . 0.1753 . . . . . . . . . . . 0.2630 
'X-RAY DIFFRACTION' 1.56 1.58  . . 146 2634 100.00 . . . . 0.1782 . . . . . . . . . . . 0.2531 
'X-RAY DIFFRACTION' 1.58 1.61  . . 148 2694 100.00 . . . . 0.1611 . . . . . . . . . . . 0.2197 
'X-RAY DIFFRACTION' 1.61 1.64  . . 136 2652 100.00 . . . . 0.1526 . . . . . . . . . . . 0.2449 
'X-RAY DIFFRACTION' 1.64 1.66  . . 159 2655 100.00 . . . . 0.1429 . . . . . . . . . . . 0.1949 
'X-RAY DIFFRACTION' 1.66 1.69  . . 143 2666 100.00 . . . . 0.1361 . . . . . . . . . . . 0.2322 
'X-RAY DIFFRACTION' 1.69 1.73  . . 142 2681 100.00 . . . . 0.1357 . . . . . . . . . . . 0.2072 
'X-RAY DIFFRACTION' 1.73 1.76  . . 144 2664 100.00 . . . . 0.1262 . . . . . . . . . . . 0.1684 
'X-RAY DIFFRACTION' 1.76 1.80  . . 149 2650 100.00 . . . . 0.1302 . . . . . . . . . . . 0.2049 
'X-RAY DIFFRACTION' 1.80 1.84  . . 118 2701 100.00 . . . . 0.1264 . . . . . . . . . . . 0.2012 
'X-RAY DIFFRACTION' 1.84 1.89  . . 147 2684 100.00 . . . . 0.1318 . . . . . . . . . . . 0.1962 
'X-RAY DIFFRACTION' 1.89 1.94  . . 157 2629 100.00 . . . . 0.1324 . . . . . . . . . . . 0.2115 
'X-RAY DIFFRACTION' 1.94 2.00  . . 143 2686 100.00 . . . . 0.1283 . . . . . . . . . . . 0.1867 
'X-RAY DIFFRACTION' 2.00 2.06  . . 146 2652 100.00 . . . . 0.1271 . . . . . . . . . . . 0.1908 
'X-RAY DIFFRACTION' 2.06 2.13  . . 144 2692 100.00 . . . . 0.1302 . . . . . . . . . . . 0.1838 
'X-RAY DIFFRACTION' 2.13 2.22  . . 133 2708 100.00 . . . . 0.1306 . . . . . . . . . . . 0.1812 
'X-RAY DIFFRACTION' 2.22 2.32  . . 129 2681 100.00 . . . . 0.1325 . . . . . . . . . . . 0.2085 
'X-RAY DIFFRACTION' 2.32 2.44  . . 167 2648 100.00 . . . . 0.1432 . . . . . . . . . . . 0.2023 
'X-RAY DIFFRACTION' 2.44 2.60  . . 141 2675 100.00 . . . . 0.1420 . . . . . . . . . . . 0.1886 
'X-RAY DIFFRACTION' 2.60 2.80  . . 136 2693 100.00 . . . . 0.1388 . . . . . . . . . . . 0.2118 
'X-RAY DIFFRACTION' 2.80 3.08  . . 113 2723 100.00 . . . . 0.1398 . . . . . . . . . . . 0.1754 
'X-RAY DIFFRACTION' 3.08 3.52  . . 122 2696 100.00 . . . . 0.1293 . . . . . . . . . . . 0.1488 
'X-RAY DIFFRACTION' 3.52 4.44  . . 124 2732 100.00 . . . . 0.1240 . . . . . . . . . . . 0.1719 
'X-RAY DIFFRACTION' 4.44 46.32 . . 159 2668 98.00  . . . . 0.1493 . . . . . . . . . . . 0.1926 
# 
_struct.entry_id                     8Y23 
_struct.title                        
'X-ray crystal structure of ALiS4-Streptavidine complex without cryo-protectant using a high-pressure cryocooling method' 
_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        8Y23 
_struct_keywords.text            'streptavidin, CYTOSOLIC PROTEIN' 
_struct_keywords.pdbx_keywords   'CYTOSOLIC 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 1 ? 
C N N 1 ? 
D N N 1 ? 
E N N 2 ? 
F N N 2 ? 
G N N 2 ? 
H N N 2 ? 
I N N 3 ? 
J N N 3 ? 
K N N 3 ? 
L N N 3 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    SAV_STRAV 
_struct_ref.pdbx_db_accession          P22629 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;AGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSG
QYVGGAEARINTQWLLTSGTTEANAWKSTLVGHDTFTKVKP
;
_struct_ref.pdbx_align_begin           39 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 8Y23 A 1 ? 121 ? P22629 39 ? 159 ? 15 135 
2 1 8Y23 B 1 ? 121 ? P22629 39 ? 159 ? 15 135 
3 1 8Y23 C 1 ? 121 ? P22629 39 ? 159 ? 15 135 
4 1 8Y23 D 1 ? 121 ? P22629 39 ? 159 ? 15 135 
# 
_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   tetrameric 
_pdbx_struct_assembly.oligomeric_count     4 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J,K,L 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0 
_pdbx_struct_oper_list.matrix[1][2]         0.0 
_pdbx_struct_oper_list.matrix[1][3]         0.0 
_pdbx_struct_oper_list.vector[1]            0.0 
_pdbx_struct_oper_list.matrix[2][1]         0.0 
_pdbx_struct_oper_list.matrix[2][2]         1.0 
_pdbx_struct_oper_list.matrix[2][3]         0.0 
_pdbx_struct_oper_list.vector[2]            0.0 
_pdbx_struct_oper_list.matrix[3][1]         0.0 
_pdbx_struct_oper_list.matrix[3][2]         0.0 
_pdbx_struct_oper_list.matrix[3][3]         1.0 
_pdbx_struct_oper_list.vector[3]            0.0 
# 
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 THR A 101 ? LYS A 107 ? THR A 115 LYS A 121 5 ? 7 
HELX_P HELX_P2 AA2 ASN B 35  ? GLU B 37  ? ASN B 49  GLU B 51  5 ? 3 
HELX_P HELX_P3 AA3 THR B 101 ? LYS B 107 ? THR B 115 LYS B 121 5 ? 7 
HELX_P HELX_P4 AA4 ASN C 35  ? GLU C 37  ? ASN C 49  GLU C 51  5 ? 3 
HELX_P HELX_P5 AA5 THR C 101 ? LYS C 107 ? THR C 115 LYS C 121 5 ? 7 
HELX_P HELX_P6 AA6 ASN D 35  ? ARG D 39  ? ASN D 49  ARG D 53  5 ? 5 
HELX_P HELX_P7 AA7 THR D 101 ? LYS D 107 ? THR D 115 LYS D 121 5 ? 7 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 9 ? 
AA2 ? 9 ? 
AA3 ? 9 ? 
AA4 ? 9 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA1 7 8 ? anti-parallel 
AA1 8 9 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA2 6 7 ? anti-parallel 
AA2 7 8 ? anti-parallel 
AA2 8 9 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA3 4 5 ? anti-parallel 
AA3 5 6 ? anti-parallel 
AA3 6 7 ? anti-parallel 
AA3 7 8 ? anti-parallel 
AA3 8 9 ? anti-parallel 
AA4 1 2 ? anti-parallel 
AA4 2 3 ? anti-parallel 
AA4 3 4 ? anti-parallel 
AA4 4 5 ? anti-parallel 
AA4 5 6 ? anti-parallel 
AA4 6 7 ? anti-parallel 
AA4 7 8 ? anti-parallel 
AA4 8 9 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 GLY A 5   ? TYR A 8   ? GLY A 19  TYR A 22  
AA1 2 THR A 14  ? ALA A 19  ? THR A 28  ALA A 33  
AA1 3 ALA A 24  ? GLU A 30  ? ALA A 38  GLU A 44  
AA1 4 ARG A 39  ? TYR A 46  ? ARG A 53  TYR A 60  
AA1 5 THR A 57  ? LYS A 66  ? THR A 71  LYS A 80  
AA1 6 ASN A 71  ? VAL A 83  ? ASN A 85  VAL A 97  
AA1 7 ARG A 89  ? SER A 98  ? ARG A 103 SER A 112 
AA1 8 THR A 109 ? THR A 117 ? THR A 123 THR A 131 
AA1 9 GLY A 5   ? TYR A 8   ? GLY A 19  TYR A 22  
AA2 1 GLY B 5   ? TYR B 8   ? GLY B 19  TYR B 22  
AA2 2 THR B 14  ? ALA B 19  ? THR B 28  ALA B 33  
AA2 3 ALA B 24  ? GLU B 30  ? ALA B 38  GLU B 44  
AA2 4 ARG B 39  ? TYR B 46  ? ARG B 53  TYR B 60  
AA2 5 THR B 57  ? LYS B 66  ? THR B 71  LYS B 80  
AA2 6 ASN B 71  ? VAL B 83  ? ASN B 85  VAL B 97  
AA2 7 ARG B 89  ? SER B 98  ? ARG B 103 SER B 112 
AA2 8 THR B 109 ? THR B 117 ? THR B 123 THR B 131 
AA2 9 GLY B 5   ? TYR B 8   ? GLY B 19  TYR B 22  
AA3 1 GLY C 5   ? ASN C 9   ? GLY C 19  ASN C 23  
AA3 2 THR C 14  ? ALA C 19  ? THR C 28  ALA C 33  
AA3 3 ALA C 24  ? GLU C 30  ? ALA C 38  GLU C 44  
AA3 4 ARG C 39  ? TYR C 46  ? ARG C 53  TYR C 60  
AA3 5 THR C 57  ? LYS C 66  ? THR C 71  LYS C 80  
AA3 6 ASN C 71  ? VAL C 83  ? ASN C 85  VAL C 97  
AA3 7 ARG C 89  ? SER C 98  ? ARG C 103 SER C 112 
AA3 8 THR C 109 ? THR C 117 ? THR C 123 THR C 131 
AA3 9 GLY C 5   ? ASN C 9   ? GLY C 19  ASN C 23  
AA4 1 GLY D 5   ? TYR D 8   ? GLY D 19  TYR D 22  
AA4 2 SER D 13  ? ALA D 19  ? SER D 27  ALA D 33  
AA4 3 ALA D 24  ? SER D 31  ? ALA D 38  SER D 45  
AA4 4 TYR D 40  ? TYR D 46  ? TYR D 54  TYR D 60  
AA4 5 THR D 57  ? LYS D 66  ? THR D 71  LYS D 80  
AA4 6 ASN D 71  ? VAL D 83  ? ASN D 85  VAL D 97  
AA4 7 ARG D 89  ? SER D 98  ? ARG D 103 SER D 112 
AA4 8 THR D 109 ? THR D 117 ? THR D 123 THR D 131 
AA4 9 GLY D 5   ? TYR D 8   ? GLY D 19  TYR D 22  
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N TRP A 7   ? N TRP A 21  O PHE A 15  ? O PHE A 29  
AA1 2 3 N THR A 14  ? N THR A 28  O GLU A 30  ? O GLU A 44  
AA1 3 4 N TYR A 29  ? N TYR A 43  O TYR A 40  ? O TYR A 54  
AA1 4 5 N THR A 43  ? N THR A 57  O THR A 62  ? O THR A 76  
AA1 5 6 N LEU A 59  ? N LEU A 73  O GLY A 80  ? O GLY A 94  
AA1 6 7 N VAL A 83  ? N VAL A 97  O ARG A 89  ? O ARG A 103 
AA1 7 8 N ILE A 90  ? N ILE A 104 O PHE A 116 ? O PHE A 130 
AA1 8 9 O THR A 117 ? O THR A 131 N TYR A 8   ? N TYR A 22  
AA2 1 2 N TRP B 7   ? N TRP B 21  O PHE B 15  ? O PHE B 29  
AA2 2 3 N THR B 14  ? N THR B 28  O GLU B 30  ? O GLU B 44  
AA2 3 4 N TYR B 29  ? N TYR B 43  O TYR B 40  ? O TYR B 54  
AA2 4 5 N THR B 43  ? N THR B 57  O THR B 62  ? O THR B 76  
AA2 5 6 N TRP B 65  ? N TRP B 79  O SER B 74  ? O SER B 88  
AA2 6 7 N VAL B 83  ? N VAL B 97  O ARG B 89  ? O ARG B 103 
AA2 7 8 N TRP B 94  ? N TRP B 108 O GLY B 112 ? O GLY B 126 
AA2 8 9 O THR B 117 ? O THR B 131 N TYR B 8   ? N TYR B 22  
AA3 1 2 N TRP C 7   ? N TRP C 21  O PHE C 15  ? O PHE C 29  
AA3 2 3 N ILE C 16  ? N ILE C 30  O THR C 28  ? O THR C 42  
AA3 3 4 N LEU C 25  ? N LEU C 39  O GLY C 44  ? O GLY C 58  
AA3 4 5 N THR C 43  ? N THR C 57  O THR C 62  ? O THR C 76  
AA3 5 6 N TRP C 61  ? N TRP C 75  O TRP C 78  ? O TRP C 92  
AA3 6 7 N VAL C 83  ? N VAL C 97  O ARG C 89  ? O ARG C 103 
AA3 7 8 N ILE C 90  ? N ILE C 104 O PHE C 116 ? O PHE C 130 
AA3 8 9 O THR C 117 ? O THR C 131 N TYR C 8   ? N TYR C 22  
AA4 1 2 N TRP D 7   ? N TRP D 21  O PHE D 15  ? O PHE D 29  
AA4 2 3 N THR D 14  ? N THR D 28  O GLU D 30  ? O GLU D 44  
AA4 3 4 N TYR D 29  ? N TYR D 43  O TYR D 40  ? O TYR D 54  
AA4 4 5 N THR D 43  ? N THR D 57  O THR D 62  ? O THR D 76  
AA4 5 6 N VAL D 63  ? N VAL D 77  O THR D 76  ? O THR D 90  
AA4 6 7 N VAL D 83  ? N VAL D 97  O ARG D 89  ? O ARG D 103 
AA4 7 8 N TRP D 94  ? N TRP D 108 O GLY D 112 ? O GLY D 126 
AA4 8 9 O THR D 117 ? O THR D 131 N TYR D 8   ? N TYR D 22  
# 
_pdbx_entry_details.entry_id                   8Y23 
_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     N 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   HOH 
_pdbx_validate_close_contact.auth_seq_id_1    306 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    435 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.17 
# 
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 SER A 52  ? ? 66.76   -157.46 
2 1 THR B 66  ? ? -113.56 57.26   
3 1 GLU D 101 ? ? -116.85 59.58   
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? A HOH 498 ? 7.35 . 
2 1 O ? B HOH 444 ? 6.06 . 
3 1 O ? B HOH 445 ? 6.27 . 
4 1 O ? C HOH 470 ? 6.45 . 
# 
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 ALA 15  ? A ALA 1   
2 1 Y 1 B ALA 15  ? B ALA 1   
3 1 Y 1 B ALA 46  ? B ALA 32  
4 1 Y 1 B VAL 47  ? B VAL 33  
5 1 Y 1 B PRO 135 ? B PRO 121 
6 1 Y 1 C ALA 15  ? C ALA 1   
7 1 Y 1 C ALA 46  ? C ALA 32  
8 1 Y 1 C VAL 47  ? C VAL 33  
9 1 Y 1 D PRO 135 ? D PRO 121 
# 
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 
6FX C10  C N N 1   
6FX C11  C N N 2   
6FX O3   O N N 3   
6FX C13  C N N 4   
6FX O4   O N N 5   
6FX C14  C N N 6   
6FX C5   C Y N 7   
6FX C1   C Y N 8   
6FX C4   C Y N 9   
6FX C3   C Y N 10  
6FX C2   C Y N 11  
6FX N1   N Y N 12  
6FX C6   C Y N 13  
6FX O1   O Y N 14  
6FX C9   C Y N 15  
6FX C12  C N N 16  
6FX N2   N N N 17  
6FX O2   O N N 18  
6FX C8   C Y N 19  
6FX C7   C Y N 20  
6FX H1   H N N 21  
6FX H2   H N N 22  
6FX H3   H N N 23  
6FX H4   H N N 24  
6FX H5   H N N 25  
6FX H6   H N N 26  
6FX H7   H N N 27  
6FX H8   H N N 28  
6FX H10  H N N 29  
6FX H9   H N N 30  
ALA N    N N N 31  
ALA CA   C N S 32  
ALA C    C N N 33  
ALA O    O N N 34  
ALA CB   C N N 35  
ALA OXT  O N N 36  
ALA H    H N N 37  
ALA H2   H N N 38  
ALA HA   H N N 39  
ALA HB1  H N N 40  
ALA HB2  H N N 41  
ALA HB3  H N N 42  
ALA HXT  H N N 43  
ARG N    N N N 44  
ARG CA   C N S 45  
ARG C    C N N 46  
ARG O    O N N 47  
ARG CB   C N N 48  
ARG CG   C N N 49  
ARG CD   C N N 50  
ARG NE   N N N 51  
ARG CZ   C N N 52  
ARG NH1  N N N 53  
ARG NH2  N N N 54  
ARG OXT  O N N 55  
ARG H    H N N 56  
ARG H2   H N N 57  
ARG HA   H N N 58  
ARG HB2  H N N 59  
ARG HB3  H N N 60  
ARG HG2  H N N 61  
ARG HG3  H N N 62  
ARG HD2  H N N 63  
ARG HD3  H N N 64  
ARG HE   H N N 65  
ARG HH11 H N N 66  
ARG HH12 H N N 67  
ARG HH21 H N N 68  
ARG HH22 H N N 69  
ARG HXT  H N N 70  
ASN N    N N N 71  
ASN CA   C N S 72  
ASN C    C N N 73  
ASN O    O N N 74  
ASN CB   C N N 75  
ASN CG   C N N 76  
ASN OD1  O N N 77  
ASN ND2  N N N 78  
ASN OXT  O N N 79  
ASN H    H N N 80  
ASN H2   H N N 81  
ASN HA   H N N 82  
ASN HB2  H N N 83  
ASN HB3  H N N 84  
ASN HD21 H N N 85  
ASN HD22 H N N 86  
ASN HXT  H N N 87  
ASP N    N N N 88  
ASP CA   C N S 89  
ASP C    C N N 90  
ASP O    O N N 91  
ASP CB   C N N 92  
ASP CG   C N N 93  
ASP OD1  O N N 94  
ASP OD2  O N N 95  
ASP OXT  O N N 96  
ASP H    H N N 97  
ASP H2   H N N 98  
ASP HA   H N N 99  
ASP HB2  H N N 100 
ASP HB3  H N N 101 
ASP HD2  H N N 102 
ASP HXT  H N N 103 
GLN N    N N N 104 
GLN CA   C N S 105 
GLN C    C N N 106 
GLN O    O N N 107 
GLN CB   C N N 108 
GLN CG   C N N 109 
GLN CD   C N N 110 
GLN OE1  O N N 111 
GLN NE2  N N N 112 
GLN OXT  O N N 113 
GLN H    H N N 114 
GLN H2   H N N 115 
GLN HA   H N N 116 
GLN HB2  H N N 117 
GLN HB3  H N N 118 
GLN HG2  H N N 119 
GLN HG3  H N N 120 
GLN HE21 H N N 121 
GLN HE22 H N N 122 
GLN HXT  H N N 123 
GLU N    N N N 124 
GLU CA   C N S 125 
GLU C    C N N 126 
GLU O    O N N 127 
GLU CB   C N N 128 
GLU CG   C N N 129 
GLU CD   C N N 130 
GLU OE1  O N N 131 
GLU OE2  O N N 132 
GLU OXT  O N N 133 
GLU H    H N N 134 
GLU H2   H N N 135 
GLU HA   H N N 136 
GLU HB2  H N N 137 
GLU HB3  H N N 138 
GLU HG2  H N N 139 
GLU HG3  H N N 140 
GLU HE2  H N N 141 
GLU HXT  H N N 142 
GLY N    N N N 143 
GLY CA   C N N 144 
GLY C    C N N 145 
GLY O    O N N 146 
GLY OXT  O N N 147 
GLY H    H N N 148 
GLY H2   H N N 149 
GLY HA2  H N N 150 
GLY HA3  H N N 151 
GLY HXT  H N N 152 
HIS N    N N N 153 
HIS CA   C N S 154 
HIS C    C N N 155 
HIS O    O N N 156 
HIS CB   C N N 157 
HIS CG   C Y N 158 
HIS ND1  N Y N 159 
HIS CD2  C Y N 160 
HIS CE1  C Y N 161 
HIS NE2  N Y N 162 
HIS OXT  O N N 163 
HIS H    H N N 164 
HIS H2   H N N 165 
HIS HA   H N N 166 
HIS HB2  H N N 167 
HIS HB3  H N N 168 
HIS HD1  H N N 169 
HIS HD2  H N N 170 
HIS HE1  H N N 171 
HIS HE2  H N N 172 
HIS HXT  H N N 173 
HOH O    O N N 174 
HOH H1   H N N 175 
HOH H2   H N N 176 
ILE N    N N N 177 
ILE CA   C N S 178 
ILE C    C N N 179 
ILE O    O N N 180 
ILE CB   C N S 181 
ILE CG1  C N N 182 
ILE CG2  C N N 183 
ILE CD1  C N N 184 
ILE OXT  O N N 185 
ILE H    H N N 186 
ILE H2   H N N 187 
ILE HA   H N N 188 
ILE HB   H N N 189 
ILE HG12 H N N 190 
ILE HG13 H N N 191 
ILE HG21 H N N 192 
ILE HG22 H N N 193 
ILE HG23 H N N 194 
ILE HD11 H N N 195 
ILE HD12 H N N 196 
ILE HD13 H N N 197 
ILE HXT  H N N 198 
LEU N    N N N 199 
LEU CA   C N S 200 
LEU C    C N N 201 
LEU O    O N N 202 
LEU CB   C N N 203 
LEU CG   C N N 204 
LEU CD1  C N N 205 
LEU CD2  C N N 206 
LEU OXT  O N N 207 
LEU H    H N N 208 
LEU H2   H N N 209 
LEU HA   H N N 210 
LEU HB2  H N N 211 
LEU HB3  H N N 212 
LEU HG   H N N 213 
LEU HD11 H N N 214 
LEU HD12 H N N 215 
LEU HD13 H N N 216 
LEU HD21 H N N 217 
LEU HD22 H N N 218 
LEU HD23 H N N 219 
LEU HXT  H N N 220 
LYS N    N N N 221 
LYS CA   C N S 222 
LYS C    C N N 223 
LYS O    O N N 224 
LYS CB   C N N 225 
LYS CG   C N N 226 
LYS CD   C N N 227 
LYS CE   C N N 228 
LYS NZ   N N N 229 
LYS OXT  O N N 230 
LYS H    H N N 231 
LYS H2   H N N 232 
LYS HA   H N N 233 
LYS HB2  H N N 234 
LYS HB3  H N N 235 
LYS HG2  H N N 236 
LYS HG3  H N N 237 
LYS HD2  H N N 238 
LYS HD3  H N N 239 
LYS HE2  H N N 240 
LYS HE3  H N N 241 
LYS HZ1  H N N 242 
LYS HZ2  H N N 243 
LYS HZ3  H N N 244 
LYS HXT  H N N 245 
PHE N    N N N 246 
PHE CA   C N S 247 
PHE C    C N N 248 
PHE O    O N N 249 
PHE CB   C N N 250 
PHE CG   C Y N 251 
PHE CD1  C Y N 252 
PHE CD2  C Y N 253 
PHE CE1  C Y N 254 
PHE CE2  C Y N 255 
PHE CZ   C Y N 256 
PHE OXT  O N N 257 
PHE H    H N N 258 
PHE H2   H N N 259 
PHE HA   H N N 260 
PHE HB2  H N N 261 
PHE HB3  H N N 262 
PHE HD1  H N N 263 
PHE HD2  H N N 264 
PHE HE1  H N N 265 
PHE HE2  H N N 266 
PHE HZ   H N N 267 
PHE HXT  H N N 268 
PRO N    N N N 269 
PRO CA   C N S 270 
PRO C    C N N 271 
PRO O    O N N 272 
PRO CB   C N N 273 
PRO CG   C N N 274 
PRO CD   C N N 275 
PRO OXT  O N N 276 
PRO H    H N N 277 
PRO HA   H N N 278 
PRO HB2  H N N 279 
PRO HB3  H N N 280 
PRO HG2  H N N 281 
PRO HG3  H N N 282 
PRO HD2  H N N 283 
PRO HD3  H N N 284 
PRO HXT  H N N 285 
SER N    N N N 286 
SER CA   C N S 287 
SER C    C N N 288 
SER O    O N N 289 
SER CB   C N N 290 
SER OG   O N N 291 
SER OXT  O N N 292 
SER H    H N N 293 
SER H2   H N N 294 
SER HA   H N N 295 
SER HB2  H N N 296 
SER HB3  H N N 297 
SER HG   H N N 298 
SER HXT  H N N 299 
THR N    N N N 300 
THR CA   C N S 301 
THR C    C N N 302 
THR O    O N N 303 
THR CB   C N R 304 
THR OG1  O N N 305 
THR CG2  C N N 306 
THR OXT  O N N 307 
THR H    H N N 308 
THR H2   H N N 309 
THR HA   H N N 310 
THR HB   H N N 311 
THR HG1  H N N 312 
THR HG21 H N N 313 
THR HG22 H N N 314 
THR HG23 H N N 315 
THR HXT  H N N 316 
TRP N    N N N 317 
TRP CA   C N S 318 
TRP C    C N N 319 
TRP O    O N N 320 
TRP CB   C N N 321 
TRP CG   C Y N 322 
TRP CD1  C Y N 323 
TRP CD2  C Y N 324 
TRP NE1  N Y N 325 
TRP CE2  C Y N 326 
TRP CE3  C Y N 327 
TRP CZ2  C Y N 328 
TRP CZ3  C Y N 329 
TRP CH2  C Y N 330 
TRP OXT  O N N 331 
TRP H    H N N 332 
TRP H2   H N N 333 
TRP HA   H N N 334 
TRP HB2  H N N 335 
TRP HB3  H N N 336 
TRP HD1  H N N 337 
TRP HE1  H N N 338 
TRP HE3  H N N 339 
TRP HZ2  H N N 340 
TRP HZ3  H N N 341 
TRP HH2  H N N 342 
TRP HXT  H N N 343 
TYR N    N N N 344 
TYR CA   C N S 345 
TYR C    C N N 346 
TYR O    O N N 347 
TYR CB   C N N 348 
TYR CG   C Y N 349 
TYR CD1  C Y N 350 
TYR CD2  C Y N 351 
TYR CE1  C Y N 352 
TYR CE2  C Y N 353 
TYR CZ   C Y N 354 
TYR OH   O N N 355 
TYR OXT  O N N 356 
TYR H    H N N 357 
TYR H2   H N N 358 
TYR HA   H N N 359 
TYR HB2  H N N 360 
TYR HB3  H N N 361 
TYR HD1  H N N 362 
TYR HD2  H N N 363 
TYR HE1  H N N 364 
TYR HE2  H N N 365 
TYR HH   H N N 366 
TYR HXT  H N N 367 
VAL N    N N N 368 
VAL CA   C N S 369 
VAL C    C N N 370 
VAL O    O N N 371 
VAL CB   C N N 372 
VAL CG1  C N N 373 
VAL CG2  C N N 374 
VAL OXT  O N N 375 
VAL H    H N N 376 
VAL H2   H N N 377 
VAL HA   H N N 378 
VAL HB   H N N 379 
VAL HG11 H N N 380 
VAL HG12 H N N 381 
VAL HG13 H N N 382 
VAL HG21 H N N 383 
VAL HG22 H N N 384 
VAL HG23 H N N 385 
VAL HXT  H N N 386 
# 
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 
6FX O3  C13  doub N N 1   
6FX C14 O4   sing N N 2   
6FX C13 O4   sing N N 3   
6FX C13 C5   sing N N 4   
6FX C1  C5   doub Y N 5   
6FX C1  N1   sing Y N 6   
6FX C5  C4   sing Y N 7   
6FX N1  C2   doub Y N 8   
6FX C4  C3   doub Y N 9   
6FX C2  C3   sing Y N 10  
6FX C3  C6   sing N N 11  
6FX C6  O1   sing Y N 12  
6FX C6  C7   doub Y N 13  
6FX O1  C9   sing Y N 14  
6FX C7  C8   sing Y N 15  
6FX C9  C8   doub Y N 16  
6FX C9  C12  sing N N 17  
6FX C8  C10  sing N N 18  
6FX C12 C11  doub N N 19  
6FX C10 O2   doub N N 20  
6FX C10 N2   sing N N 21  
6FX C11 N2   sing N N 22  
6FX C11 H1   sing N N 23  
6FX C14 H2   sing N N 24  
6FX C14 H3   sing N N 25  
6FX C14 H4   sing N N 26  
6FX C1  H5   sing N N 27  
6FX C4  H6   sing N N 28  
6FX C2  H7   sing N N 29  
6FX C12 H8   sing N N 30  
6FX C7  H10  sing N N 31  
6FX N2  H9   sing N N 32  
ALA N   CA   sing N N 33  
ALA N   H    sing N N 34  
ALA N   H2   sing N N 35  
ALA CA  C    sing N N 36  
ALA CA  CB   sing N N 37  
ALA CA  HA   sing N N 38  
ALA C   O    doub N N 39  
ALA C   OXT  sing N N 40  
ALA CB  HB1  sing N N 41  
ALA CB  HB2  sing N N 42  
ALA CB  HB3  sing N N 43  
ALA OXT HXT  sing N N 44  
ARG N   CA   sing N N 45  
ARG N   H    sing N N 46  
ARG N   H2   sing N N 47  
ARG CA  C    sing N N 48  
ARG CA  CB   sing N N 49  
ARG CA  HA   sing N N 50  
ARG C   O    doub N N 51  
ARG C   OXT  sing N N 52  
ARG CB  CG   sing N N 53  
ARG CB  HB2  sing N N 54  
ARG CB  HB3  sing N N 55  
ARG CG  CD   sing N N 56  
ARG CG  HG2  sing N N 57  
ARG CG  HG3  sing N N 58  
ARG CD  NE   sing N N 59  
ARG CD  HD2  sing N N 60  
ARG CD  HD3  sing N N 61  
ARG NE  CZ   sing N N 62  
ARG NE  HE   sing N N 63  
ARG CZ  NH1  sing N N 64  
ARG CZ  NH2  doub N N 65  
ARG NH1 HH11 sing N N 66  
ARG NH1 HH12 sing N N 67  
ARG NH2 HH21 sing N N 68  
ARG NH2 HH22 sing N N 69  
ARG OXT HXT  sing N N 70  
ASN N   CA   sing N N 71  
ASN N   H    sing N N 72  
ASN N   H2   sing N N 73  
ASN CA  C    sing N N 74  
ASN CA  CB   sing N N 75  
ASN CA  HA   sing N N 76  
ASN C   O    doub N N 77  
ASN C   OXT  sing N N 78  
ASN CB  CG   sing N N 79  
ASN CB  HB2  sing N N 80  
ASN CB  HB3  sing N N 81  
ASN CG  OD1  doub N N 82  
ASN CG  ND2  sing N N 83  
ASN ND2 HD21 sing N N 84  
ASN ND2 HD22 sing N N 85  
ASN OXT HXT  sing N N 86  
ASP N   CA   sing N N 87  
ASP N   H    sing N N 88  
ASP N   H2   sing N N 89  
ASP CA  C    sing N N 90  
ASP CA  CB   sing N N 91  
ASP CA  HA   sing N N 92  
ASP C   O    doub N N 93  
ASP C   OXT  sing N N 94  
ASP CB  CG   sing N N 95  
ASP CB  HB2  sing N N 96  
ASP CB  HB3  sing N N 97  
ASP CG  OD1  doub N N 98  
ASP CG  OD2  sing N N 99  
ASP OD2 HD2  sing N N 100 
ASP OXT HXT  sing N N 101 
GLN N   CA   sing N N 102 
GLN N   H    sing N N 103 
GLN N   H2   sing N N 104 
GLN CA  C    sing N N 105 
GLN CA  CB   sing N N 106 
GLN CA  HA   sing N N 107 
GLN C   O    doub N N 108 
GLN C   OXT  sing N N 109 
GLN CB  CG   sing N N 110 
GLN CB  HB2  sing N N 111 
GLN CB  HB3  sing N N 112 
GLN CG  CD   sing N N 113 
GLN CG  HG2  sing N N 114 
GLN CG  HG3  sing N N 115 
GLN CD  OE1  doub N N 116 
GLN CD  NE2  sing N N 117 
GLN NE2 HE21 sing N N 118 
GLN NE2 HE22 sing N N 119 
GLN OXT HXT  sing N N 120 
GLU N   CA   sing N N 121 
GLU N   H    sing N N 122 
GLU N   H2   sing N N 123 
GLU CA  C    sing N N 124 
GLU CA  CB   sing N N 125 
GLU CA  HA   sing N N 126 
GLU C   O    doub N N 127 
GLU C   OXT  sing N N 128 
GLU CB  CG   sing N N 129 
GLU CB  HB2  sing N N 130 
GLU CB  HB3  sing N N 131 
GLU CG  CD   sing N N 132 
GLU CG  HG2  sing N N 133 
GLU CG  HG3  sing N N 134 
GLU CD  OE1  doub N N 135 
GLU CD  OE2  sing N N 136 
GLU OE2 HE2  sing N N 137 
GLU OXT HXT  sing N N 138 
GLY N   CA   sing N N 139 
GLY N   H    sing N N 140 
GLY N   H2   sing N N 141 
GLY CA  C    sing N N 142 
GLY CA  HA2  sing N N 143 
GLY CA  HA3  sing N N 144 
GLY C   O    doub N N 145 
GLY C   OXT  sing N N 146 
GLY OXT HXT  sing N N 147 
HIS N   CA   sing N N 148 
HIS N   H    sing N N 149 
HIS N   H2   sing N N 150 
HIS CA  C    sing N N 151 
HIS CA  CB   sing N N 152 
HIS CA  HA   sing N N 153 
HIS C   O    doub N N 154 
HIS C   OXT  sing N N 155 
HIS CB  CG   sing N N 156 
HIS CB  HB2  sing N N 157 
HIS CB  HB3  sing N N 158 
HIS CG  ND1  sing Y N 159 
HIS CG  CD2  doub Y N 160 
HIS ND1 CE1  doub Y N 161 
HIS ND1 HD1  sing N N 162 
HIS CD2 NE2  sing Y N 163 
HIS CD2 HD2  sing N N 164 
HIS CE1 NE2  sing Y N 165 
HIS CE1 HE1  sing N N 166 
HIS NE2 HE2  sing N N 167 
HIS OXT HXT  sing N N 168 
HOH O   H1   sing N N 169 
HOH O   H2   sing N N 170 
ILE N   CA   sing N N 171 
ILE N   H    sing N N 172 
ILE N   H2   sing N N 173 
ILE CA  C    sing N N 174 
ILE CA  CB   sing N N 175 
ILE CA  HA   sing N N 176 
ILE C   O    doub N N 177 
ILE C   OXT  sing N N 178 
ILE CB  CG1  sing N N 179 
ILE CB  CG2  sing N N 180 
ILE CB  HB   sing N N 181 
ILE CG1 CD1  sing N N 182 
ILE CG1 HG12 sing N N 183 
ILE CG1 HG13 sing N N 184 
ILE CG2 HG21 sing N N 185 
ILE CG2 HG22 sing N N 186 
ILE CG2 HG23 sing N N 187 
ILE CD1 HD11 sing N N 188 
ILE CD1 HD12 sing N N 189 
ILE CD1 HD13 sing N N 190 
ILE OXT HXT  sing N N 191 
LEU N   CA   sing N N 192 
LEU N   H    sing N N 193 
LEU N   H2   sing N N 194 
LEU CA  C    sing N N 195 
LEU CA  CB   sing N N 196 
LEU CA  HA   sing N N 197 
LEU C   O    doub N N 198 
LEU C   OXT  sing N N 199 
LEU CB  CG   sing N N 200 
LEU CB  HB2  sing N N 201 
LEU CB  HB3  sing N N 202 
LEU CG  CD1  sing N N 203 
LEU CG  CD2  sing N N 204 
LEU CG  HG   sing N N 205 
LEU CD1 HD11 sing N N 206 
LEU CD1 HD12 sing N N 207 
LEU CD1 HD13 sing N N 208 
LEU CD2 HD21 sing N N 209 
LEU CD2 HD22 sing N N 210 
LEU CD2 HD23 sing N N 211 
LEU OXT HXT  sing N N 212 
LYS N   CA   sing N N 213 
LYS N   H    sing N N 214 
LYS N   H2   sing N N 215 
LYS CA  C    sing N N 216 
LYS CA  CB   sing N N 217 
LYS CA  HA   sing N N 218 
LYS C   O    doub N N 219 
LYS C   OXT  sing N N 220 
LYS CB  CG   sing N N 221 
LYS CB  HB2  sing N N 222 
LYS CB  HB3  sing N N 223 
LYS CG  CD   sing N N 224 
LYS CG  HG2  sing N N 225 
LYS CG  HG3  sing N N 226 
LYS CD  CE   sing N N 227 
LYS CD  HD2  sing N N 228 
LYS CD  HD3  sing N N 229 
LYS CE  NZ   sing N N 230 
LYS CE  HE2  sing N N 231 
LYS CE  HE3  sing N N 232 
LYS NZ  HZ1  sing N N 233 
LYS NZ  HZ2  sing N N 234 
LYS NZ  HZ3  sing N N 235 
LYS OXT HXT  sing N N 236 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
SER N   CA   sing N N 277 
SER N   H    sing N N 278 
SER N   H2   sing N N 279 
SER CA  C    sing N N 280 
SER CA  CB   sing N N 281 
SER CA  HA   sing N N 282 
SER C   O    doub N N 283 
SER C   OXT  sing N N 284 
SER CB  OG   sing N N 285 
SER CB  HB2  sing N N 286 
SER CB  HB3  sing N N 287 
SER OG  HG   sing N N 288 
SER OXT HXT  sing N N 289 
THR N   CA   sing N N 290 
THR N   H    sing N N 291 
THR N   H2   sing N N 292 
THR CA  C    sing N N 293 
THR CA  CB   sing N N 294 
THR CA  HA   sing N N 295 
THR C   O    doub N N 296 
THR C   OXT  sing N N 297 
THR CB  OG1  sing N N 298 
THR CB  CG2  sing N N 299 
THR CB  HB   sing N N 300 
THR OG1 HG1  sing N N 301 
THR CG2 HG21 sing N N 302 
THR CG2 HG22 sing N N 303 
THR CG2 HG23 sing N N 304 
THR OXT HXT  sing N N 305 
TRP N   CA   sing N N 306 
TRP N   H    sing N N 307 
TRP N   H2   sing N N 308 
TRP CA  C    sing N N 309 
TRP CA  CB   sing N N 310 
TRP CA  HA   sing N N 311 
TRP C   O    doub N N 312 
TRP C   OXT  sing N N 313 
TRP CB  CG   sing N N 314 
TRP CB  HB2  sing N N 315 
TRP CB  HB3  sing N N 316 
TRP CG  CD1  doub Y N 317 
TRP CG  CD2  sing Y N 318 
TRP CD1 NE1  sing Y N 319 
TRP CD1 HD1  sing N N 320 
TRP CD2 CE2  doub Y N 321 
TRP CD2 CE3  sing Y N 322 
TRP NE1 CE2  sing Y N 323 
TRP NE1 HE1  sing N N 324 
TRP CE2 CZ2  sing Y N 325 
TRP CE3 CZ3  doub Y N 326 
TRP CE3 HE3  sing N N 327 
TRP CZ2 CH2  doub Y N 328 
TRP CZ2 HZ2  sing N N 329 
TRP CZ3 CH2  sing Y N 330 
TRP CZ3 HZ3  sing N N 331 
TRP CH2 HH2  sing N N 332 
TRP OXT HXT  sing N N 333 
TYR N   CA   sing N N 334 
TYR N   H    sing N N 335 
TYR N   H2   sing N N 336 
TYR CA  C    sing N N 337 
TYR CA  CB   sing N N 338 
TYR CA  HA   sing N N 339 
TYR C   O    doub N N 340 
TYR C   OXT  sing N N 341 
TYR CB  CG   sing N N 342 
TYR CB  HB2  sing N N 343 
TYR CB  HB3  sing N N 344 
TYR CG  CD1  doub Y N 345 
TYR CG  CD2  sing Y N 346 
TYR CD1 CE1  sing Y N 347 
TYR CD1 HD1  sing N N 348 
TYR CD2 CE2  doub Y N 349 
TYR CD2 HD2  sing N N 350 
TYR CE1 CZ   doub Y N 351 
TYR CE1 HE1  sing N N 352 
TYR CE2 CZ   sing Y N 353 
TYR CE2 HE2  sing N N 354 
TYR CZ  OH   sing N N 355 
TYR OH  HH   sing N N 356 
TYR OXT HXT  sing N N 357 
VAL N   CA   sing N N 358 
VAL N   H    sing N N 359 
VAL N   H2   sing N N 360 
VAL CA  C    sing N N 361 
VAL CA  CB   sing N N 362 
VAL CA  HA   sing N N 363 
VAL C   O    doub N N 364 
VAL C   OXT  sing N N 365 
VAL CB  CG1  sing N N 366 
VAL CB  CG2  sing N N 367 
VAL CB  HB   sing N N 368 
VAL CG1 HG11 sing N N 369 
VAL CG1 HG12 sing N N 370 
VAL CG1 HG13 sing N N 371 
VAL CG2 HG21 sing N N 372 
VAL CG2 HG22 sing N N 373 
VAL CG2 HG23 sing N N 374 
VAL OXT HXT  sing N N 375 
# 
_pdbx_audit_support.funding_organization   'Other private' 
_pdbx_audit_support.country                Japan 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   5b5g 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8Y23 
_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]   0.021314 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.003441 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.011627 
_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]   0.017344 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C 
N 
O 
# 
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   . GLY A 1 2   ? 8.392   -28.018 13.668  1.00 29.44 ? 16  GLY A N   1 
ATOM   2    C CA  . GLY A 1 2   ? 8.802   -27.099 12.624  1.00 24.56 ? 16  GLY A CA  1 
ATOM   3    C C   . GLY A 1 2   ? 7.791   -26.003 12.357  1.00 22.49 ? 16  GLY A C   1 
ATOM   4    O O   . GLY A 1 2   ? 6.738   -25.943 12.992  1.00 24.07 ? 16  GLY A O   1 
ATOM   5    N N   . ILE A 1 3   ? 8.124   -25.133 11.402  1.00 22.23 ? 17  ILE A N   1 
ATOM   6    C CA  . ILE A 1 3   ? 7.284   -23.978 11.098  1.00 21.09 ? 17  ILE A CA  1 
ATOM   7    C C   . ILE A 1 3   ? 5.977   -24.404 10.440  1.00 19.95 ? 17  ILE A C   1 
ATOM   8    O O   . ILE A 1 3   ? 4.910   -23.861 10.749  1.00 21.55 ? 17  ILE A O   1 
ATOM   9    C CB  . ILE A 1 3   ? 8.067   -22.969 10.239  1.00 21.38 ? 17  ILE A CB  1 
ATOM   10   C CG1 . ILE A 1 3   ? 9.137   -22.273 11.084  1.00 20.02 ? 17  ILE A CG1 1 
ATOM   11   C CG2 . ILE A 1 3   ? 7.121   -21.976 9.562   1.00 21.15 ? 17  ILE A CG2 1 
ATOM   12   C CD1 . ILE A 1 3   ? 10.228  -21.606 10.267  1.00 19.71 ? 17  ILE A CD1 1 
ATOM   13   N N   . THR A 1 4   ? 6.035   -25.372 9.525   1.00 19.00 ? 18  THR A N   1 
ATOM   14   C CA  . THR A 1 4   ? 4.837   -25.831 8.828   1.00 18.93 ? 18  THR A CA  1 
ATOM   15   C C   . THR A 1 4   ? 3.773   -26.282 9.825   1.00 18.26 ? 18  THR A C   1 
ATOM   16   O O   . THR A 1 4   ? 4.045   -27.087 10.723  1.00 21.00 ? 18  THR A O   1 
ATOM   17   C CB  . THR A 1 4   ? 5.202   -26.996 7.901   1.00 19.79 ? 18  THR A CB  1 
ATOM   18   O OG1 . THR A 1 4   ? 6.110   -26.541 6.883   1.00 21.92 ? 18  THR A OG1 1 
ATOM   19   C CG2 . THR A 1 4   ? 3.955   -27.571 7.251   1.00 20.80 ? 18  THR A CG2 1 
ATOM   20   N N   . GLY A 1 5   ? 2.568   -25.746 9.680   1.00 17.17 ? 19  GLY A N   1 
ATOM   21   C CA  . GLY A 1 5   ? 1.479   -26.108 10.563  1.00 17.71 ? 19  GLY A CA  1 
ATOM   22   C C   . GLY A 1 5   ? 0.438   -25.004 10.641  1.00 18.30 ? 19  GLY A C   1 
ATOM   23   O O   . GLY A 1 5   ? 0.466   -24.038 9.884   1.00 19.65 ? 19  GLY A O   1 
ATOM   24   N N   . THR A 1 6   ? -0.480  -25.175 11.585  1.00 17.84 ? 20  THR A N   1 
ATOM   25   C CA  . THR A 1 6   ? -1.530  -24.205 11.854  1.00 18.51 ? 20  THR A CA  1 
ATOM   26   C C   . THR A 1 6   ? -1.239  -23.541 13.192  1.00 18.26 ? 20  THR A C   1 
ATOM   27   O O   . THR A 1 6   ? -1.041  -24.229 14.199  1.00 22.09 ? 20  THR A O   1 
ATOM   28   C CB  . THR A 1 6   ? -2.897  -24.899 11.868  1.00 19.67 ? 20  THR A CB  1 
ATOM   29   O OG1 . THR A 1 6   ? -3.192  -25.374 10.546  1.00 22.50 ? 20  THR A OG1 1 
ATOM   30   C CG2 . THR A 1 6   ? -3.998  -23.951 12.323  1.00 20.11 ? 20  THR A CG2 1 
ATOM   31   N N   . TRP A 1 7   ? -1.187  -22.209 13.190  1.00 17.16 ? 21  TRP A N   1 
ATOM   32   C CA  . TRP A 1 7   ? -0.825  -21.410 14.350  1.00 16.20 ? 21  TRP A CA  1 
ATOM   33   C C   . TRP A 1 7   ? -1.951  -20.445 14.683  1.00 15.88 ? 21  TRP A C   1 
ATOM   34   O O   . TRP A 1 7   ? -2.750  -20.075 13.821  1.00 17.11 ? 21  TRP A O   1 
ATOM   35   C CB  . TRP A 1 7   ? 0.437   -20.587 14.059  1.00 16.91 ? 21  TRP A CB  1 
ATOM   36   C CG  . TRP A 1 7   ? 1.657   -21.402 13.741  1.00 17.44 ? 21  TRP A CG  1 
ATOM   37   C CD1 . TRP A 1 7   ? 1.976   -21.978 12.539  1.00 18.70 ? 21  TRP A CD1 1 
ATOM   38   C CD2 . TRP A 1 7   ? 2.739   -21.707 14.632  1.00 19.26 ? 21  TRP A CD2 1 
ATOM   39   N NE1 . TRP A 1 7   ? 3.184   -22.629 12.635  1.00 19.43 ? 21  TRP A NE1 1 
ATOM   40   C CE2 . TRP A 1 7   ? 3.672   -22.479 13.908  1.00 19.72 ? 21  TRP A CE2 1 
ATOM   41   C CE3 . TRP A 1 7   ? 3.003   -21.409 15.974  1.00 20.18 ? 21  TRP A CE3 1 
ATOM   42   C CZ2 . TRP A 1 7   ? 4.855   -22.949 14.481  1.00 20.05 ? 21  TRP A CZ2 1 
ATOM   43   C CZ3 . TRP A 1 7   ? 4.175   -21.884 16.544  1.00 19.93 ? 21  TRP A CZ3 1 
ATOM   44   C CH2 . TRP A 1 7   ? 5.086   -22.646 15.799  1.00 20.35 ? 21  TRP A CH2 1 
ATOM   45   N N   . TYR A 1 8   ? -1.997  -20.019 15.948  1.00 16.00 ? 22  TYR A N   1 
ATOM   46   C CA  . TYR A 1 8   ? -2.982  -19.049 16.408  1.00 17.97 ? 22  TYR A CA  1 
ATOM   47   C C   . TYR A 1 8   ? -2.263  -17.966 17.190  1.00 15.75 ? 22  TYR A C   1 
ATOM   48   O O   . TYR A 1 8   ? -1.357  -18.262 17.972  1.00 16.80 ? 22  TYR A O   1 
ATOM   49   C CB  . TYR A 1 8   ? -4.041  -19.703 17.327  1.00 20.97 ? 22  TYR A CB  1 
ATOM   50   C CG  . TYR A 1 8   ? -4.650  -20.949 16.735  1.00 23.37 ? 22  TYR A CG  1 
ATOM   51   C CD1 . TYR A 1 8   ? -5.778  -20.879 15.928  1.00 23.56 ? 22  TYR A CD1 1 
ATOM   52   C CD2 . TYR A 1 8   ? -4.085  -22.197 16.969  1.00 23.66 ? 22  TYR A CD2 1 
ATOM   53   C CE1 . TYR A 1 8   ? -6.326  -22.020 15.373  1.00 25.57 ? 22  TYR A CE1 1 
ATOM   54   C CE2 . TYR A 1 8   ? -4.619  -23.332 16.417  1.00 24.37 ? 22  TYR A CE2 1 
ATOM   55   C CZ  . TYR A 1 8   ? -5.740  -23.245 15.627  1.00 24.89 ? 22  TYR A CZ  1 
ATOM   56   O OH  . TYR A 1 8   ? -6.264  -24.394 15.082  1.00 25.55 ? 22  TYR A OH  1 
ATOM   57   N N   . ASN A 1 9   ? -2.660  -16.711 16.984  1.00 16.89 ? 23  ASN A N   1 
ATOM   58   C CA  . ASN A 1 9   ? -2.096  -15.651 17.803  1.00 16.97 ? 23  ASN A CA  1 
ATOM   59   C C   . ASN A 1 9   ? -2.951  -15.443 19.049  1.00 17.99 ? 23  ASN A C   1 
ATOM   60   O O   . ASN A 1 9   ? -3.925  -16.162 19.302  1.00 20.05 ? 23  ASN A O   1 
ATOM   61   C CB  . ASN A 1 9   ? -1.786  -14.373 17.010  1.00 16.68 ? 23  ASN A CB  1 
ATOM   62   C CG  . ASN A 1 9   ? -3.020  -13.556 16.663  1.00 16.49 ? 23  ASN A CG  1 
ATOM   63   O OD1 . ASN A 1 9   ? -4.141  -13.874 17.065  1.00 17.89 ? 23  ASN A OD1 1 
ATOM   64   N ND2 . ASN A 1 9   ? -2.806  -12.470 15.915  1.00 18.64 ? 23  ASN A ND2 1 
ATOM   65   N N   . GLN A 1 10  ? -2.555  -14.459 19.852  1.00 19.49 ? 24  GLN A N   1 
ATOM   66   C CA  . GLN A 1 10  ? -3.198  -14.201 21.131  1.00 20.33 ? 24  GLN A CA  1 
ATOM   67   C C   . GLN A 1 10  ? -4.605  -13.642 20.977  1.00 21.46 ? 24  GLN A C   1 
ATOM   68   O O   . GLN A 1 10  ? -5.370  -13.650 21.948  1.00 23.55 ? 24  GLN A O   1 
ATOM   69   C CB  . GLN A 1 10  ? -2.325  -13.245 21.952  1.00 19.77 ? 24  GLN A CB  1 
ATOM   70   C CG  . GLN A 1 10  ? -2.293  -11.785 21.449  1.00 19.82 ? 24  GLN A CG  1 
ATOM   71   C CD  . GLN A 1 10  ? -1.456  -11.534 20.184  1.00 20.82 ? 24  GLN A CD  1 
ATOM   72   O OE1 . GLN A 1 10  ? -0.719  -12.395 19.702  1.00 20.41 ? 24  GLN A OE1 1 
ATOM   73   N NE2 . GLN A 1 10  ? -1.568  -10.323 19.656  1.00 22.59 ? 24  GLN A NE2 1 
ATOM   74   N N   . LEU A 1 11  ? -4.968  -13.166 19.788  1.00 22.04 ? 25  LEU A N   1 
ATOM   75   C CA  . LEU A 1 11  ? -6.270  -12.555 19.556  1.00 24.51 ? 25  LEU A CA  1 
ATOM   76   C C   . LEU A 1 11  ? -7.225  -13.453 18.787  1.00 27.15 ? 25  LEU A C   1 
ATOM   77   O O   . LEU A 1 11  ? -8.334  -13.019 18.466  1.00 29.89 ? 25  LEU A O   1 
ATOM   78   C CB  . LEU A 1 11  ? -6.117  -11.218 18.826  1.00 26.60 ? 25  LEU A CB  1 
ATOM   79   C CG  . LEU A 1 11  ? -5.443  -10.093 19.616  1.00 28.34 ? 25  LEU A CG  1 
ATOM   80   C CD1 . LEU A 1 11  ? -5.511  -8.788  18.853  1.00 27.61 ? 25  LEU A CD1 1 
ATOM   81   C CD2 . LEU A 1 11  ? -6.064  -9.938  20.999  1.00 29.30 ? 25  LEU A CD2 1 
ATOM   82   N N   . GLY A 1 12  ? -6.824  -14.680 18.476  1.00 26.63 ? 26  GLY A N   1 
ATOM   83   C CA  . GLY A 1 12  ? -7.699  -15.611 17.792  1.00 25.74 ? 26  GLY A CA  1 
ATOM   84   C C   . GLY A 1 12  ? -7.530  -15.702 16.294  1.00 24.04 ? 26  GLY A C   1 
ATOM   85   O O   . GLY A 1 12  ? -8.313  -16.412 15.649  1.00 27.96 ? 26  GLY A O   1 
ATOM   86   N N   . SER A 1 13  ? -6.544  -15.012 15.718  1.00 19.36 ? 27  SER A N   1 
ATOM   87   C CA  . SER A 1 13  ? -6.277  -15.151 14.294  1.00 18.88 ? 27  SER A CA  1 
ATOM   88   C C   . SER A 1 13  ? -5.673  -16.525 14.005  1.00 16.40 ? 27  SER A C   1 
ATOM   89   O O   . SER A 1 13  ? -5.066  -17.153 14.873  1.00 19.16 ? 27  SER A O   1 
ATOM   90   C CB  . SER A 1 13  ? -5.317  -14.057 13.825  1.00 18.76 ? 27  SER A CB  1 
ATOM   91   O OG  . SER A 1 13  ? -5.876  -12.769 14.047  0.79 20.49 ? 27  SER A OG  1 
ATOM   92   N N   . THR A 1 14  ? -5.843  -16.993 12.764  1.00 17.50 ? 28  THR A N   1 
ATOM   93   C CA  . THR A 1 14  ? -5.385  -18.320 12.353  1.00 16.86 ? 28  THR A CA  1 
ATOM   94   C C   . THR A 1 14  ? -4.403  -18.194 11.193  1.00 15.45 ? 28  THR A C   1 
ATOM   95   O O   . THR A 1 14  ? -4.740  -17.621 10.154  1.00 18.40 ? 28  THR A O   1 
ATOM   96   C CB  . THR A 1 14  ? -6.567  -19.209 11.950  1.00 19.11 ? 28  THR A CB  1 
ATOM   97   O OG1 . THR A 1 14  ? -7.511  -19.273 13.027  1.00 21.55 ? 28  THR A OG1 1 
ATOM   98   C CG2 . THR A 1 14  ? -6.097  -20.623 11.629  1.00 20.46 ? 28  THR A CG2 1 
ATOM   99   N N   . PHE A 1 15  ? -3.209  -18.766 11.364  1.00 14.49 ? 29  PHE A N   1 
ATOM   100  C CA  . PHE A 1 15  ? -2.077  -18.642 10.445  1.00 17.31 ? 29  PHE A CA  1 
ATOM   101  C C   . PHE A 1 15  ? -1.713  -20.057 10.004  1.00 16.98 ? 29  PHE A C   1 
ATOM   102  O O   . PHE A 1 15  ? -1.184  -20.845 10.795  1.00 18.16 ? 29  PHE A O   1 
ATOM   103  C CB  . PHE A 1 15  ? -0.943  -17.926 11.197  1.00 16.79 ? 29  PHE A CB  1 
ATOM   104  C CG  . PHE A 1 15  ? 0.411   -17.931 10.523  1.00 16.73 ? 29  PHE A CG  1 
ATOM   105  C CD1 . PHE A 1 15  ? 0.573   -17.644 9.174   1.00 16.17 ? 29  PHE A CD1 1 
ATOM   106  C CD2 . PHE A 1 15  ? 1.549   -18.132 11.297  1.00 16.95 ? 29  PHE A CD2 1 
ATOM   107  C CE1 . PHE A 1 15  ? 1.851   -17.610 8.605   1.00 15.19 ? 29  PHE A CE1 1 
ATOM   108  C CE2 . PHE A 1 15  ? 2.817   -18.104 10.738  1.00 16.64 ? 29  PHE A CE2 1 
ATOM   109  C CZ  . PHE A 1 15  ? 2.969   -17.841 9.386   1.00 15.02 ? 29  PHE A CZ  1 
ATOM   110  N N   . ILE A 1 16  ? -2.047  -20.399 8.760   1.00 16.48 ? 30  ILE A N   1 
ATOM   111  C CA  . ILE A 1 16  ? -1.838  -21.737 8.216   1.00 17.67 ? 30  ILE A CA  1 
ATOM   112  C C   . ILE A 1 16  ? -0.706  -21.630 7.208   1.00 17.46 ? 30  ILE A C   1 
ATOM   113  O O   . ILE A 1 16  ? -0.856  -20.990 6.162   1.00 18.94 ? 30  ILE A O   1 
ATOM   114  C CB  . ILE A 1 16  ? -3.112  -22.285 7.564   1.00 18.69 ? 30  ILE A CB  1 
ATOM   115  C CG1 . ILE A 1 16  ? -4.273  -22.259 8.566   1.00 19.42 ? 30  ILE A CG1 1 
ATOM   116  C CG2 . ILE A 1 16  ? -2.867  -23.694 7.037   1.00 20.66 ? 30  ILE A CG2 1 
ATOM   117  C CD1 . ILE A 1 16  ? -5.622  -22.603 7.953   1.00 19.84 ? 30  ILE A CD1 1 
ATOM   118  N N   . VAL A 1 17  ? 0.434   -22.239 7.518   1.00 16.08 ? 31  VAL A N   1 
ATOM   119  C CA  . VAL A 1 17  ? 1.659   -21.937 6.790   1.00 15.25 ? 31  VAL A CA  1 
ATOM   120  C C   . VAL A 1 17  ? 2.372   -23.219 6.397   1.00 16.46 ? 31  VAL A C   1 
ATOM   121  O O   . VAL A 1 17  ? 2.308   -24.235 7.098   1.00 16.87 ? 31  VAL A O   1 
ATOM   122  C CB  . VAL A 1 17  ? 2.590   -20.998 7.602   1.00 16.22 ? 31  VAL A CB  1 
ATOM   123  C CG1 . VAL A 1 17  ? 3.182   -21.732 8.819   1.00 16.70 ? 31  VAL A CG1 1 
ATOM   124  C CG2 . VAL A 1 17  ? 3.683   -20.396 6.713   1.00 16.53 ? 31  VAL A CG2 1 
ATOM   125  N N   . THR A 1 18  ? 3.046   -23.165 5.254   1.00 17.75 ? 32  THR A N   1 
ATOM   126  C CA  . THR A 1 18  ? 3.914   -24.234 4.790   1.00 18.03 ? 32  THR A CA  1 
ATOM   127  C C   . THR A 1 18  ? 5.293   -23.637 4.558   1.00 18.72 ? 32  THR A C   1 
ATOM   128  O O   . THR A 1 18  ? 5.422   -22.631 3.852   1.00 18.45 ? 32  THR A O   1 
ATOM   129  C CB  . THR A 1 18  ? 3.377   -24.850 3.498   1.00 20.47 ? 32  THR A CB  1 
ATOM   130  O OG1 . THR A 1 18  ? 2.099   -25.454 3.750   1.00 21.97 ? 32  THR A OG1 1 
ATOM   131  C CG2 . THR A 1 18  ? 4.323   -25.920 3.007   1.00 22.55 ? 32  THR A CG2 1 
ATOM   132  N N   . ALA A 1 19  ? 6.311   -24.240 5.176   1.00 19.37 ? 33  ALA A N   1 
ATOM   133  C CA  . ALA A 1 19  ? 7.699   -23.815 5.032   1.00 19.89 ? 33  ALA A CA  1 
ATOM   134  C C   . ALA A 1 19  ? 8.381   -24.748 4.036   1.00 21.06 ? 33  ALA A C   1 
ATOM   135  O O   . ALA A 1 19  ? 8.626   -25.918 4.343   1.00 23.47 ? 33  ALA A O   1 
ATOM   136  C CB  . ALA A 1 19  ? 8.408   -23.852 6.386   1.00 19.11 ? 33  ALA A CB  1 
ATOM   137  N N   . GLY A 1 20  ? 8.686   -24.230 2.845   1.00 20.64 ? 34  GLY A N   1 
ATOM   138  C CA  . GLY A 1 20  ? 9.262   -25.059 1.808   1.00 23.48 ? 34  GLY A CA  1 
ATOM   139  C C   . GLY A 1 20  ? 10.768  -25.195 1.935   1.00 25.12 ? 34  GLY A C   1 
ATOM   140  O O   . GLY A 1 20  ? 11.441  -24.388 2.576   1.00 25.36 ? 34  GLY A O   1 
ATOM   141  N N   . ALA A 1 21  ? 11.302  -26.247 1.303   1.00 27.90 ? 35  ALA A N   1 
ATOM   142  C CA  . ALA A 1 21  ? 12.736  -26.518 1.382   1.00 28.55 ? 35  ALA A CA  1 
ATOM   143  C C   . ALA A 1 21  ? 13.581  -25.375 0.827   1.00 28.78 ? 35  ALA A C   1 
ATOM   144  O O   . ALA A 1 21  ? 14.741  -25.224 1.229   1.00 32.56 ? 35  ALA A O   1 
ATOM   145  C CB  . ALA A 1 21  ? 13.068  -27.825 0.664   1.00 29.97 ? 35  ALA A CB  1 
ATOM   146  N N   . ASP A 1 22  ? 13.028  -24.567 -0.076  1.00 27.01 ? 36  ASP A N   1 
ATOM   147  C CA  . ASP A 1 22  ? 13.740  -23.461 -0.701  1.00 26.33 ? 36  ASP A CA  1 
ATOM   148  C C   . ASP A 1 22  ? 13.663  -22.160 0.099   1.00 24.26 ? 36  ASP A C   1 
ATOM   149  O O   . ASP A 1 22  ? 14.094  -21.117 -0.402  1.00 25.77 ? 36  ASP A O   1 
ATOM   150  C CB  . ASP A 1 22  ? 13.184  -23.220 -2.106  1.00 26.19 ? 36  ASP A CB  1 
ATOM   151  C CG  . ASP A 1 22  ? 11.718  -22.806 -2.086  1.00 28.81 ? 36  ASP A CG  1 
ATOM   152  O OD1 . ASP A 1 22  ? 11.052  -23.011 -1.046  1.00 28.17 ? 36  ASP A OD1 1 
ATOM   153  O OD2 . ASP A 1 22  ? 11.230  -22.277 -3.107  1.00 30.33 ? 36  ASP A OD2 1 
ATOM   154  N N   . GLY A 1 23  ? 13.113  -22.186 1.313   1.00 20.41 ? 37  GLY A N   1 
ATOM   155  C CA  . GLY A 1 23  ? 12.980  -20.976 2.096   1.00 19.28 ? 37  GLY A CA  1 
ATOM   156  C C   . GLY A 1 23  ? 11.658  -20.252 1.953   1.00 16.70 ? 37  GLY A C   1 
ATOM   157  O O   . GLY A 1 23  ? 11.490  -19.180 2.551   1.00 16.94 ? 37  GLY A O   1 
ATOM   158  N N   . ALA A 1 24  ? 10.707  -20.807 1.209   1.00 16.48 ? 38  ALA A N   1 
ATOM   159  C CA  . ALA A 1 24  ? 9.456   -20.114 0.937   1.00 16.57 ? 38  ALA A CA  1 
ATOM   160  C C   . ALA A 1 24  ? 8.442   -20.377 2.043   1.00 16.32 ? 38  ALA A C   1 
ATOM   161  O O   . ALA A 1 24  ? 8.307   -21.506 2.525   1.00 18.58 ? 38  ALA A O   1 
ATOM   162  C CB  . ALA A 1 24  ? 8.879   -20.565 -0.405  1.00 18.93 ? 38  ALA A CB  1 
ATOM   163  N N   . LEU A 1 25  ? 7.730   -19.327 2.448   1.00 16.05 ? 39  LEU A N   1 
ATOM   164  C CA  . LEU A 1 25  ? 6.532   -19.469 3.269   1.00 15.81 ? 39  LEU A CA  1 
ATOM   165  C C   . LEU A 1 25  ? 5.315   -19.193 2.396   1.00 15.96 ? 39  LEU A C   1 
ATOM   166  O O   . LEU A 1 25  ? 5.283   -18.194 1.671   1.00 16.37 ? 39  LEU A O   1 
ATOM   167  C CB  . LEU A 1 25  ? 6.535   -18.494 4.452   1.00 14.52 ? 39  LEU A CB  1 
ATOM   168  C CG  . LEU A 1 25  ? 7.629   -18.629 5.516   1.00 15.34 ? 39  LEU A CG  1 
ATOM   169  C CD1 . LEU A 1 25  ? 7.442   -17.556 6.590   1.00 15.11 ? 39  LEU A CD1 1 
ATOM   170  C CD2 . LEU A 1 25  ? 7.644   -20.016 6.150   1.00 16.74 ? 39  LEU A CD2 1 
ATOM   171  N N   . THR A 1 26  ? 4.328   -20.085 2.450   1.00 15.97 ? 40  THR A N   1 
ATOM   172  C CA  . THR A 1 26  ? 3.080   -19.911 1.716   1.00 14.55 ? 40  THR A CA  1 
ATOM   173  C C   . THR A 1 26  ? 1.931   -20.308 2.634   1.00 15.55 ? 40  THR A C   1 
ATOM   174  O O   . THR A 1 26  ? 2.117   -21.062 3.586   1.00 18.10 ? 40  THR A O   1 
ATOM   175  C CB  . THR A 1 26  ? 3.049   -20.774 0.445   1.00 17.43 ? 40  THR A CB  1 
ATOM   176  O OG1 . THR A 1 26  ? 3.211   -22.154 0.803   1.00 19.77 ? 40  THR A OG1 1 
ATOM   177  C CG2 . THR A 1 26  ? 4.174   -20.385 -0.517  1.00 17.77 ? 40  THR A CG2 1 
ATOM   178  N N   . GLY A 1 27  ? 0.750   -19.781 2.362   1.00 13.96 ? 41  GLY A N   1 
ATOM   179  C CA  . GLY A 1 27  ? -0.409  -20.245 3.119   1.00 16.49 ? 41  GLY A CA  1 
ATOM   180  C C   . GLY A 1 27  ? -1.500  -19.184 3.187   1.00 15.34 ? 41  GLY A C   1 
ATOM   181  O O   . GLY A 1 27  ? -1.641  -18.364 2.280   1.00 16.02 ? 41  GLY A O   1 
ATOM   182  N N   . THR A 1 28  ? -2.289  -19.247 4.264   1.00 14.93 ? 42  THR A N   1 
ATOM   183  C CA  . THR A 1 28  ? -3.433  -18.365 4.434   1.00 16.07 ? 42  THR A CA  1 
ATOM   184  C C   . THR A 1 28  ? -3.457  -17.775 5.835   1.00 16.25 ? 42  THR A C   1 
ATOM   185  O O   . THR A 1 28  ? -2.977  -18.381 6.798   1.00 16.48 ? 42  THR A O   1 
ATOM   186  C CB  . THR A 1 28  ? -4.774  -19.084 4.191   1.00 17.60 ? 42  THR A CB  1 
ATOM   187  O OG1 . THR A 1 28  ? -4.928  -20.161 5.129   1.00 18.65 ? 42  THR A OG1 1 
ATOM   188  C CG2 . THR A 1 28  ? -4.841  -19.625 2.772   1.00 17.60 ? 42  THR A CG2 1 
ATOM   189  N N   . TYR A 1 29  ? -4.042  -16.585 5.939   1.00 15.34 ? 43  TYR A N   1 
ATOM   190  C CA  . TYR A 1 29  ? -4.207  -15.907 7.212   1.00 14.08 ? 43  TYR A CA  1 
ATOM   191  C C   . TYR A 1 29  ? -5.664  -15.502 7.371   1.00 14.84 ? 43  TYR A C   1 
ATOM   192  O O   . TYR A 1 29  ? -6.277  -14.977 6.434   1.00 16.38 ? 43  TYR A O   1 
ATOM   193  C CB  . TYR A 1 29  ? -3.321  -14.652 7.290   1.00 15.12 ? 43  TYR A CB  1 
ATOM   194  C CG  . TYR A 1 29  ? -3.062  -14.157 8.700   1.00 14.52 ? 43  TYR A CG  1 
ATOM   195  C CD1 . TYR A 1 29  ? -3.949  -13.285 9.340   1.00 15.46 ? 43  TYR A CD1 1 
ATOM   196  C CD2 . TYR A 1 29  ? -1.935  -14.569 9.400   1.00 14.51 ? 43  TYR A CD2 1 
ATOM   197  C CE1 . TYR A 1 29  ? -3.708  -12.844 10.640  1.00 15.39 ? 43  TYR A CE1 1 
ATOM   198  C CE2 . TYR A 1 29  ? -1.691  -14.137 10.696  1.00 15.18 ? 43  TYR A CE2 1 
ATOM   199  C CZ  . TYR A 1 29  ? -2.572  -13.273 11.309  1.00 14.94 ? 43  TYR A CZ  1 
ATOM   200  O OH  . TYR A 1 29  ? -2.306  -12.847 12.594  1.00 15.63 ? 43  TYR A OH  1 
ATOM   201  N N   . GLU A 1 30  ? -6.216  -15.742 8.557   1.00 14.68 ? 44  GLU A N   1 
ATOM   202  C CA  . GLU A 1 30  ? -7.566  -15.304 8.894   1.00 15.55 ? 44  GLU A CA  1 
ATOM   203  C C   . GLU A 1 30  ? -7.471  -14.478 10.166  1.00 17.72 ? 44  GLU A C   1 
ATOM   204  O O   . GLU A 1 30  ? -6.945  -14.953 11.177  1.00 19.05 ? 44  GLU A O   1 
ATOM   205  C CB  . GLU A 1 30  ? -8.507  -16.494 9.083   1.00 17.80 ? 44  GLU A CB  1 
ATOM   206  C CG  . GLU A 1 30  ? -9.942  -16.089 9.336   1.00 23.32 ? 44  GLU A CG  1 
ATOM   207  C CD  . GLU A 1 30  ? -10.899 -17.264 9.308   1.00 29.19 ? 44  GLU A CD  1 
ATOM   208  O OE1 . GLU A 1 30  ? -10.445 -18.414 9.099   1.00 30.94 ? 44  GLU A OE1 1 
ATOM   209  O OE2 . GLU A 1 30  ? -12.113 -17.030 9.489   1.00 31.02 ? 44  GLU A OE2 1 
ATOM   210  N N   . SER A 1 31  ? -7.948  -13.239 10.107  1.00 20.40 ? 45  SER A N   1 
ATOM   211  C CA  . SER A 1 31  ? -7.767  -12.285 11.191  1.00 21.56 ? 45  SER A CA  1 
ATOM   212  C C   . SER A 1 31  ? -9.046  -12.148 12.002  1.00 25.53 ? 45  SER A C   1 
ATOM   213  O O   . SER A 1 31  ? -10.143 -12.062 11.443  1.00 25.96 ? 45  SER A O   1 
ATOM   214  C CB  . SER A 1 31  ? -7.383  -10.911 10.647  1.00 21.25 ? 45  SER A CB  1 
ATOM   215  O OG  . SER A 1 31  ? -7.461  -9.948  11.683  1.00 21.95 ? 45  SER A OG  1 
ATOM   216  N N   . ALA A 1 32  ? -8.896  -12.103 13.321  1.00 29.15 ? 46  ALA A N   1 
ATOM   217  C CA  . ALA A 1 32  ? -10.030 -11.878 14.204  1.00 29.97 ? 46  ALA A CA  1 
ATOM   218  C C   . ALA A 1 32  ? -10.343 -10.400 14.412  1.00 29.31 ? 46  ALA A C   1 
ATOM   219  O O   . ALA A 1 32  ? -11.343 -10.083 15.063  1.00 31.21 ? 46  ALA A O   1 
ATOM   220  C CB  . ALA A 1 32  ? -9.801  -12.569 15.554  1.00 33.24 ? 46  ALA A CB  1 
ATOM   221  N N   . VAL A 1 33  ? -9.530  -9.492  13.864  1.00 26.84 ? 47  VAL A N   1 
ATOM   222  C CA  . VAL A 1 33  ? -9.703  -8.059  14.071  1.00 24.70 ? 47  VAL A CA  1 
ATOM   223  C C   . VAL A 1 33  ? -9.650  -7.325  12.736  1.00 22.78 ? 47  VAL A C   1 
ATOM   224  O O   . VAL A 1 33  ? -9.197  -7.858  11.721  1.00 24.42 ? 47  VAL A O   1 
ATOM   225  C CB  . VAL A 1 33  ? -8.660  -7.467  15.049  1.00 26.63 ? 47  VAL A CB  1 
ATOM   226  C CG1 . VAL A 1 33  ? -8.840  -8.046  16.443  1.00 27.19 ? 47  VAL A CG1 1 
ATOM   227  C CG2 . VAL A 1 33  ? -7.241  -7.715  14.533  1.00 26.90 ? 47  VAL A CG2 1 
ATOM   228  N N   . GLY A 1 34  ? -10.125 -6.078  12.755  1.00 21.99 ? 48  GLY A N   1 
ATOM   229  C CA  . GLY A 1 34  ? -9.991  -5.189  11.622  1.00 24.48 ? 48  GLY A CA  1 
ATOM   230  C C   . GLY A 1 34  ? -11.002 -5.442  10.516  1.00 25.42 ? 48  GLY A C   1 
ATOM   231  O O   . GLY A 1 34  ? -11.933 -6.241  10.631  1.00 25.50 ? 48  GLY A O   1 
ATOM   232  N N   . ASN A 1 35  ? -10.790 -4.730  9.409   1.00 26.28 ? 49  ASN A N   1 
ATOM   233  C CA  . ASN A 1 35  ? -11.648 -4.844  8.232   1.00 27.78 ? 49  ASN A CA  1 
ATOM   234  C C   . ASN A 1 35  ? -11.215 -6.089  7.464   1.00 28.96 ? 49  ASN A C   1 
ATOM   235  O O   . ASN A 1 35  ? -10.506 -6.021  6.455   1.00 29.84 ? 49  ASN A O   1 
ATOM   236  C CB  . ASN A 1 35  ? -11.539 -3.583  7.381   1.00 29.95 ? 49  ASN A CB  1 
ATOM   237  C CG  . ASN A 1 35  ? -12.527 -3.564  6.229   1.00 33.36 ? 49  ASN A CG  1 
ATOM   238  O OD1 . ASN A 1 35  ? -13.440 -4.389  6.165   1.00 35.49 ? 49  ASN A OD1 1 
ATOM   239  N ND2 . ASN A 1 35  ? -12.352 -2.612  5.314   1.00 32.88 ? 49  ASN A ND2 1 
ATOM   240  N N   . ALA A 1 36  ? -11.657 -7.250  7.959   1.00 26.32 ? 50  ALA A N   1 
ATOM   241  C CA  . ALA A 1 36  ? -11.206 -8.530  7.428   1.00 24.02 ? 50  ALA A CA  1 
ATOM   242  C C   . ALA A 1 36  ? -12.292 -9.590  7.561   1.00 22.84 ? 50  ALA A C   1 
ATOM   243  O O   . ALA A 1 36  ? -13.021 -9.631  8.556   1.00 24.09 ? 50  ALA A O   1 
ATOM   244  C CB  . ALA A 1 36  ? -9.931  -9.006  8.134   1.00 22.16 ? 50  ALA A CB  1 
ATOM   245  N N   . GLU A 1 37  ? -12.378 -10.459 6.554   1.00 21.58 ? 51  GLU A N   1 
ATOM   246  C CA  . GLU A 1 37  ? -13.335 -11.556 6.542   1.00 23.19 ? 51  GLU A CA  1 
ATOM   247  C C   . GLU A 1 37  ? -12.714 -12.727 5.795   1.00 20.58 ? 51  GLU A C   1 
ATOM   248  O O   . GLU A 1 37  ? -12.164 -12.543 4.704   1.00 21.23 ? 51  GLU A O   1 
ATOM   249  C CB  . GLU A 1 37  ? -14.634 -11.119 5.853   1.00 25.57 ? 51  GLU A CB  1 
ATOM   250  C CG  . GLU A 1 37  ? -15.598 -12.247 5.547   1.00 28.31 ? 51  GLU A CG  1 
ATOM   251  C CD  . GLU A 1 37  ? -16.870 -11.766 4.860   1.00 29.77 ? 51  GLU A CD  1 
ATOM   252  O OE1 . GLU A 1 37  ? -16.996 -10.546 4.598   1.00 31.15 ? 51  GLU A OE1 1 
ATOM   253  O OE2 . GLU A 1 37  ? -17.744 -12.614 4.581   1.00 30.27 ? 51  GLU A OE2 1 
ATOM   254  N N   . SER A 1 38  ? -12.792 -13.918 6.394   1.00 18.97 ? 52  SER A N   1 
ATOM   255  C CA  . SER A 1 38  ? -12.321 -15.157 5.777   0.72 20.57 ? 52  SER A CA  1 
ATOM   256  C C   . SER A 1 38  ? -10.804 -15.186 5.598   1.00 18.72 ? 52  SER A C   1 
ATOM   257  O O   . SER A 1 38  ? -10.073 -14.486 6.309   1.00 19.04 ? 52  SER A O   1 
ATOM   258  C CB  . SER A 1 38  ? -13.040 -15.410 4.446   0.95 24.23 ? 52  SER A CB  1 
ATOM   259  O OG  . SER A 1 38  ? -12.902 -16.756 4.026   0.83 26.94 ? 52  SER A OG  1 
ATOM   260  N N   . ARG A 1 39  ? -10.319 -16.008 4.667   1.00 18.67 ? 53  ARG A N   1 
ATOM   261  C CA  . ARG A 1 39  ? -8.888  -16.221 4.502   1.00 19.70 ? 53  ARG A CA  1 
ATOM   262  C C   . ARG A 1 39  ? -8.281  -15.286 3.460   1.00 18.01 ? 53  ARG A C   1 
ATOM   263  O O   . ARG A 1 39  ? -8.919  -14.923 2.466   1.00 17.75 ? 53  ARG A O   1 
ATOM   264  C CB  . ARG A 1 39  ? -8.592  -17.671 4.119   1.00 21.23 ? 53  ARG A CB  1 
ATOM   265  C CG  . ARG A 1 39  ? -8.772  -18.659 5.259   1.00 21.17 ? 53  ARG A CG  1 
ATOM   266  C CD  . ARG A 1 39  ? -8.588  -20.090 4.787   1.00 23.82 ? 53  ARG A CD  1 
ATOM   267  N NE  . ARG A 1 39  ? -8.800  -21.065 5.854   1.00 26.52 ? 53  ARG A NE  1 
ATOM   268  C CZ  . ARG A 1 39  ? -8.926  -22.371 5.659   1.00 28.98 ? 53  ARG A CZ  1 
ATOM   269  N NH1 . ARG A 1 39  ? -8.849  -22.897 4.449   1.00 32.24 ? 53  ARG A NH1 1 
ATOM   270  N NH2 . ARG A 1 39  ? -9.142  -23.170 6.702   1.00 29.02 ? 53  ARG A NH2 1 
ATOM   271  N N   . TYR A 1 40  ? -7.022  -14.916 3.698   1.00 16.08 ? 54  TYR A N   1 
ATOM   272  C CA  . TYR A 1 40  ? -6.236  -14.084 2.799   1.00 13.65 ? 54  TYR A CA  1 
ATOM   273  C C   . TYR A 1 40  ? -4.928  -14.796 2.483   1.00 13.49 ? 54  TYR A C   1 
ATOM   274  O O   . TYR A 1 40  ? -4.384  -15.520 3.317   1.00 15.36 ? 54  TYR A O   1 
ATOM   275  C CB  . TYR A 1 40  ? -5.903  -12.728 3.455   1.00 13.88 ? 54  TYR A CB  1 
ATOM   276  C CG  . TYR A 1 40  ? -7.120  -11.877 3.738   1.00 12.80 ? 54  TYR A CG  1 
ATOM   277  C CD1 . TYR A 1 40  ? -7.883  -12.078 4.883   1.00 14.37 ? 54  TYR A CD1 1 
ATOM   278  C CD2 . TYR A 1 40  ? -7.506  -10.857 2.864   1.00 14.60 ? 54  TYR A CD2 1 
ATOM   279  C CE1 . TYR A 1 40  ? -9.009  -11.312 5.138   1.00 15.81 ? 54  TYR A CE1 1 
ATOM   280  C CE2 . TYR A 1 40  ? -8.628  -10.073 3.118   1.00 15.07 ? 54  TYR A CE2 1 
ATOM   281  C CZ  . TYR A 1 40  ? -9.377  -10.306 4.259   1.00 16.59 ? 54  TYR A CZ  1 
ATOM   282  O OH  . TYR A 1 40  ? -10.501 -9.546  4.530   1.00 18.80 ? 54  TYR A OH  1 
ATOM   283  N N   . VAL A 1 41  ? -4.418  -14.570 1.271   1.00 13.56 ? 55  VAL A N   1 
ATOM   284  C CA  . VAL A 1 41  ? -3.148  -15.156 0.862   1.00 13.94 ? 55  VAL A CA  1 
ATOM   285  C C   . VAL A 1 41  ? -2.002  -14.517 1.636   1.00 13.99 ? 55  VAL A C   1 
ATOM   286  O O   . VAL A 1 41  ? -1.966  -13.295 1.840   1.00 14.77 ? 55  VAL A O   1 
ATOM   287  C CB  . VAL A 1 41  ? -2.953  -14.955 -0.652  1.00 14.85 ? 55  VAL A CB  1 
ATOM   288  C CG1 . VAL A 1 41  ? -1.533  -15.345 -1.085  1.00 15.20 ? 55  VAL A CG1 1 
ATOM   289  C CG2 . VAL A 1 41  ? -4.006  -15.734 -1.445  1.00 15.75 ? 55  VAL A CG2 1 
ATOM   290  N N   . LEU A 1 42  ? -1.038  -15.335 2.048   1.00 13.07 ? 56  LEU A N   1 
ATOM   291  C CA  . LEU A 1 42  ? 0.229   -14.821 2.558   1.00 13.55 ? 56  LEU A CA  1 
ATOM   292  C C   . LEU A 1 42  ? 1.398   -15.439 1.801   1.00 14.15 ? 56  LEU A C   1 
ATOM   293  O O   . LEU A 1 42  ? 1.331   -16.585 1.350   1.00 14.59 ? 56  LEU A O   1 
ATOM   294  C CB  . LEU A 1 42  ? 0.407   -15.127 4.054   1.00 15.40 ? 56  LEU A CB  1 
ATOM   295  C CG  . LEU A 1 42  ? 0.621   -16.575 4.496   1.00 14.78 ? 56  LEU A CG  1 
ATOM   296  C CD1 . LEU A 1 42  ? 2.108   -16.938 4.602   1.00 14.39 ? 56  LEU A CD1 1 
ATOM   297  C CD2 . LEU A 1 42  ? -0.070  -16.797 5.824   1.00 17.31 ? 56  LEU A CD2 1 
ATOM   298  N N   . THR A 1 43  ? 2.479   -14.674 1.678   1.00 14.06 ? 57  THR A N   1 
ATOM   299  C CA  . THR A 1 43  ? 3.760   -15.209 1.231   1.00 13.09 ? 57  THR A CA  1 
ATOM   300  C C   . THR A 1 43  ? 4.877   -14.580 2.052   1.00 13.95 ? 57  THR A C   1 
ATOM   301  O O   . THR A 1 43  ? 4.752   -13.451 2.541   1.00 13.76 ? 57  THR A O   1 
ATOM   302  C CB  . THR A 1 43  ? 4.040   -15.008 -0.271  1.00 15.77 ? 57  THR A CB  1 
ATOM   303  O OG1 . THR A 1 43  ? 4.057   -13.608 -0.579  1.00 18.06 ? 57  THR A OG1 1 
ATOM   304  C CG2 . THR A 1 43  ? 3.009   -15.717 -1.129  1.00 18.63 ? 57  THR A CG2 1 
ATOM   305  N N   . GLY A 1 44  ? 5.962   -15.328 2.213   1.00 14.85 ? 58  GLY A N   1 
ATOM   306  C CA  . GLY A 1 44  ? 7.089   -14.848 2.982   1.00 14.70 ? 58  GLY A CA  1 
ATOM   307  C C   . GLY A 1 44  ? 8.311   -15.711 2.770   1.00 13.54 ? 58  GLY A C   1 
ATOM   308  O O   . GLY A 1 44  ? 8.377   -16.509 1.833   1.00 14.26 ? 58  GLY A O   1 
ATOM   309  N N   . ARG A 1 45  ? 9.290   -15.524 3.656   1.00 12.97 ? 59  ARG A N   1 
ATOM   310  C CA  . ARG A 1 45  ? 10.576  -16.206 3.592   1.00 13.28 ? 59  ARG A CA  1 
ATOM   311  C C   . ARG A 1 45  ? 10.997  -16.602 5.001   1.00 13.44 ? 59  ARG A C   1 
ATOM   312  O O   . ARG A 1 45  ? 10.621  -15.954 5.982   1.00 14.47 ? 59  ARG A O   1 
ATOM   313  C CB  . ARG A 1 45  ? 11.666  -15.274 3.020   1.00 14.63 ? 59  ARG A CB  1 
ATOM   314  C CG  . ARG A 1 45  ? 11.396  -14.740 1.609   1.00 15.10 ? 59  ARG A CG  1 
ATOM   315  C CD  . ARG A 1 45  ? 11.452  -15.847 0.544   1.00 16.09 ? 59  ARG A CD  1 
ATOM   316  N NE  . ARG A 1 45  ? 12.776  -16.456 0.450   1.00 15.83 ? 59  ARG A NE  1 
ATOM   317  C CZ  . ARG A 1 45  ? 13.026  -17.608 -0.155  1.00 16.55 ? 59  ARG A CZ  1 
ATOM   318  N NH1 . ARG A 1 45  ? 12.072  -18.284 -0.771  1.00 18.79 ? 59  ARG A NH1 1 
ATOM   319  N NH2 . ARG A 1 45  ? 14.265  -18.093 -0.142  1.00 18.35 ? 59  ARG A NH2 1 
ATOM   320  N N   . TYR A 1 46  ? 11.802  -17.657 5.095   1.00 14.68 ? 60  TYR A N   1 
ATOM   321  C CA  . TYR A 1 46  ? 12.387  -18.044 6.373   1.00 14.96 ? 60  TYR A CA  1 
ATOM   322  C C   . TYR A 1 46  ? 13.787  -18.592 6.126   1.00 15.10 ? 60  TYR A C   1 
ATOM   323  O O   . TYR A 1 46  ? 14.128  -19.000 5.011   1.00 16.94 ? 60  TYR A O   1 
ATOM   324  C CB  . TYR A 1 46  ? 11.522  -19.074 7.113   1.00 16.75 ? 60  TYR A CB  1 
ATOM   325  C CG  . TYR A 1 46  ? 11.642  -20.479 6.556   1.00 17.67 ? 60  TYR A CG  1 
ATOM   326  C CD1 . TYR A 1 46  ? 11.032  -20.835 5.355   1.00 18.09 ? 60  TYR A CD1 1 
ATOM   327  C CD2 . TYR A 1 46  ? 12.367  -21.449 7.232   1.00 19.33 ? 60  TYR A CD2 1 
ATOM   328  C CE1 . TYR A 1 46  ? 11.150  -22.125 4.849   1.00 19.80 ? 60  TYR A CE1 1 
ATOM   329  C CE2 . TYR A 1 46  ? 12.483  -22.729 6.741   1.00 20.59 ? 60  TYR A CE2 1 
ATOM   330  C CZ  . TYR A 1 46  ? 11.879  -23.061 5.547   1.00 20.29 ? 60  TYR A CZ  1 
ATOM   331  O OH  . TYR A 1 46  ? 12.002  -24.347 5.063   1.00 22.70 ? 60  TYR A OH  1 
ATOM   332  N N   . ASP A 1 47  ? 14.595  -18.596 7.186   1.00 16.28 ? 61  ASP A N   1 
ATOM   333  C CA  . ASP A 1 47  ? 15.959  -19.114 7.138   1.00 16.78 ? 61  ASP A CA  1 
ATOM   334  C C   . ASP A 1 47  ? 15.895  -20.640 7.140   1.00 18.24 ? 61  ASP A C   1 
ATOM   335  O O   . ASP A 1 47  ? 15.547  -21.256 8.153   1.00 18.81 ? 61  ASP A O   1 
ATOM   336  C CB  . ASP A 1 47  ? 16.737  -18.580 8.338   1.00 16.69 ? 61  ASP A CB  1 
ATOM   337  C CG  . ASP A 1 47  ? 18.166  -19.105 8.412   1.00 18.18 ? 61  ASP A CG  1 
ATOM   338  O OD1 . ASP A 1 47  ? 18.587  -19.862 7.517   1.00 18.89 ? 61  ASP A OD1 1 
ATOM   339  O OD2 . ASP A 1 47  ? 18.874  -18.753 9.383   1.00 18.26 ? 61  ASP A OD2 1 
ATOM   340  N N   . SER A 1 48  ? 16.238  -21.251 6.010   1.00 18.91 ? 62  SER A N   1 
ATOM   341  C CA  . SER A 1 48  ? 16.128  -22.698 5.876   1.00 19.97 ? 62  SER A CA  1 
ATOM   342  C C   . SER A 1 48  ? 17.318  -23.451 6.456   1.00 21.22 ? 62  SER A C   1 
ATOM   343  O O   . SER A 1 48  ? 17.315  -24.687 6.433   1.00 22.41 ? 62  SER A O   1 
ATOM   344  C CB  . SER A 1 48  ? 15.925  -23.085 4.407   1.00 21.64 ? 62  SER A CB  1 
ATOM   345  O OG  . SER A 1 48  ? 17.058  -22.747 3.627   1.00 24.81 ? 62  SER A OG  1 
ATOM   346  N N   . ALA A 1 49  ? 18.326  -22.753 6.971   1.00 20.02 ? 63  ALA A N   1 
ATOM   347  C CA  . ALA A 1 49  ? 19.488  -23.389 7.593   1.00 20.45 ? 63  ALA A CA  1 
ATOM   348  C C   . ALA A 1 49  ? 19.885  -22.592 8.829   1.00 20.46 ? 63  ALA A C   1 
ATOM   349  O O   . ALA A 1 49  ? 20.944  -21.959 8.867   1.00 22.73 ? 63  ALA A O   1 
ATOM   350  C CB  . ALA A 1 49  ? 20.645  -23.490 6.599   1.00 20.89 ? 63  ALA A CB  1 
ATOM   351  N N   . PRO A 1 50  ? 19.053  -22.617 9.869   1.00 20.55 ? 64  PRO A N   1 
ATOM   352  C CA  . PRO A 1 50  ? 19.329  -21.778 11.041  1.00 19.82 ? 64  PRO A CA  1 
ATOM   353  C C   . PRO A 1 50  ? 20.596  -22.195 11.774  1.00 21.61 ? 64  PRO A C   1 
ATOM   354  O O   . PRO A 1 50  ? 21.150  -23.279 11.571  1.00 21.79 ? 64  PRO A O   1 
ATOM   355  C CB  . PRO A 1 50  ? 18.085  -21.969 11.922  1.00 22.39 ? 64  PRO A CB  1 
ATOM   356  C CG  . PRO A 1 50  ? 17.498  -23.267 11.484  1.00 23.02 ? 64  PRO A CG  1 
ATOM   357  C CD  . PRO A 1 50  ? 17.794  -23.369 10.011  1.00 22.53 ? 64  PRO A CD  1 
ATOM   358  N N   . ALA A 1 51  ? 21.064  -21.293 12.632  1.00 22.38 ? 65  ALA A N   1 
ATOM   359  C CA  . ALA A 1 51  ? 22.234  -21.565 13.450  1.00 23.82 ? 65  ALA A CA  1 
ATOM   360  C C   . ALA A 1 51  ? 21.963  -22.735 14.391  1.00 25.20 ? 65  ALA A C   1 
ATOM   361  O O   . ALA A 1 51  ? 20.819  -23.045 14.732  1.00 27.00 ? 65  ALA A O   1 
ATOM   362  C CB  . ALA A 1 51  ? 22.612  -20.325 14.256  1.00 24.24 ? 65  ALA A CB  1 
ATOM   363  N N   . THR A 1 52  ? 23.042  -23.395 14.810  1.00 26.53 ? 66  THR A N   1 
ATOM   364  C CA  . THR A 1 52  ? 22.960  -24.573 15.665  1.00 27.93 ? 66  THR A CA  1 
ATOM   365  C C   . THR A 1 52  ? 23.384  -24.276 17.103  1.00 29.74 ? 66  THR A C   1 
ATOM   366  O O   . THR A 1 52  ? 23.812  -25.175 17.833  1.00 33.15 ? 66  THR A O   1 
ATOM   367  C CB  . THR A 1 52  ? 23.796  -25.705 15.074  1.00 29.07 ? 66  THR A CB  1 
ATOM   368  O OG1 . THR A 1 52  ? 25.147  -25.255 14.918  1.00 31.71 ? 66  THR A OG1 1 
ATOM   369  C CG2 . THR A 1 52  ? 23.249  -26.119 13.719  1.00 29.45 ? 66  THR A CG2 1 
ATOM   370  N N   . ASP A 1 53  ? 23.268  -23.019 17.524  1.00 29.63 ? 67  ASP A N   1 
ATOM   371  C CA  . ASP A 1 53  ? 23.733  -22.570 18.829  1.00 30.86 ? 67  ASP A CA  1 
ATOM   372  C C   . ASP A 1 53  ? 22.592  -22.312 19.803  1.00 31.38 ? 67  ASP A C   1 
ATOM   373  O O   . ASP A 1 53  ? 22.805  -21.665 20.834  1.00 34.40 ? 67  ASP A O   1 
ATOM   374  C CB  . ASP A 1 53  ? 24.590  -21.310 18.673  1.00 30.25 ? 67  ASP A CB  1 
ATOM   375  C CG  . ASP A 1 53  ? 23.847  -20.177 17.976  1.00 30.54 ? 67  ASP A CG  1 
ATOM   376  O OD1 . ASP A 1 53  ? 22.626  -20.306 17.746  1.00 28.51 ? 67  ASP A OD1 1 
ATOM   377  O OD2 . ASP A 1 53  ? 24.490  -19.155 17.650  1.00 32.52 ? 67  ASP A OD2 1 
ATOM   378  N N   . GLY A 1 54  ? 21.386  -22.787 19.499  1.00 30.09 ? 68  GLY A N   1 
ATOM   379  C CA  . GLY A 1 54  ? 20.230  -22.526 20.329  1.00 27.08 ? 68  GLY A CA  1 
ATOM   380  C C   . GLY A 1 54  ? 19.377  -21.354 19.889  1.00 26.63 ? 68  GLY A C   1 
ATOM   381  O O   . GLY A 1 54  ? 18.349  -21.092 20.524  1.00 29.55 ? 68  GLY A O   1 
ATOM   382  N N   . SER A 1 55  ? 19.763  -20.649 18.827  1.00 23.87 ? 69  SER A N   1 
ATOM   383  C CA  . SER A 1 55  ? 19.001  -19.500 18.354  1.00 21.26 ? 69  SER A CA  1 
ATOM   384  C C   . SER A 1 55  ? 17.732  -19.945 17.638  1.00 21.15 ? 69  SER A C   1 
ATOM   385  O O   . SER A 1 55  ? 17.653  -21.052 17.093  1.00 23.52 ? 69  SER A O   1 
ATOM   386  C CB  . SER A 1 55  ? 19.834  -18.670 17.374  1.00 24.08 ? 69  SER A CB  1 
ATOM   387  O OG  . SER A 1 55  ? 20.999  -18.142 17.985  1.00 26.31 ? 69  SER A OG  1 
ATOM   388  N N   . GLY A 1 56  ? 16.739  -19.057 17.627  1.00 18.89 ? 70  GLY A N   1 
ATOM   389  C CA  . GLY A 1 56  ? 15.534  -19.277 16.852  1.00 19.55 ? 70  GLY A CA  1 
ATOM   390  C C   . GLY A 1 56  ? 15.780  -19.117 15.358  1.00 16.12 ? 70  GLY A C   1 
ATOM   391  O O   . GLY A 1 56  ? 16.876  -18.791 14.902  1.00 18.08 ? 70  GLY A O   1 
ATOM   392  N N   . THR A 1 57  ? 14.715  -19.345 14.582  1.00 15.85 ? 71  THR A N   1 
ATOM   393  C CA  . THR A 1 57  ? 14.751  -19.304 13.120  1.00 16.83 ? 71  THR A CA  1 
ATOM   394  C C   . THR A 1 57  ? 14.058  -18.037 12.612  1.00 17.76 ? 71  THR A C   1 
ATOM   395  O O   . THR A 1 57  ? 12.850  -17.858 12.812  1.00 17.70 ? 71  THR A O   1 
ATOM   396  C CB  . THR A 1 57  ? 14.071  -20.548 12.541  1.00 17.34 ? 71  THR A CB  1 
ATOM   397  O OG1 . THR A 1 57  ? 14.730  -21.731 13.022  1.00 19.38 ? 71  THR A OG1 1 
ATOM   398  C CG2 . THR A 1 57  ? 14.125  -20.534 11.021  1.00 18.59 ? 71  THR A CG2 1 
ATOM   399  N N   . ALA A 1 58  ? 14.813  -17.178 11.933  1.00 14.82 ? 72  ALA A N   1 
ATOM   400  C CA  . ALA A 1 58  ? 14.267  -15.904 11.474  1.00 15.40 ? 72  ALA A CA  1 
ATOM   401  C C   . ALA A 1 58  ? 13.304  -16.109 10.314  1.00 16.80 ? 72  ALA A C   1 
ATOM   402  O O   . ALA A 1 58  ? 13.499  -16.985 9.467   1.00 18.23 ? 72  ALA A O   1 
ATOM   403  C CB  . ALA A 1 58  ? 15.396  -14.977 11.034  1.00 16.15 ? 72  ALA A CB  1 
ATOM   404  N N   . LEU A 1 59  ? 12.267  -15.267 10.261  1.00 15.68 ? 73  LEU A N   1 
ATOM   405  C CA  . LEU A 1 59  ? 11.241  -15.392 9.229   1.00 15.37 ? 73  LEU A CA  1 
ATOM   406  C C   . LEU A 1 59  ? 10.454  -14.089 9.104   1.00 14.04 ? 73  LEU A C   1 
ATOM   407  O O   . LEU A 1 59  ? 10.515  -13.214 9.972   1.00 16.02 ? 73  LEU A O   1 
ATOM   408  C CB  . LEU A 1 59  ? 10.304  -16.573 9.507   1.00 18.63 ? 73  LEU A CB  1 
ATOM   409  C CG  . LEU A 1 59  ? 9.687   -16.722 10.905  1.00 25.14 ? 73  LEU A CG  1 
ATOM   410  C CD1 . LEU A 1 59  ? 8.673   -15.642 11.248  1.00 27.80 ? 73  LEU A CD1 1 
ATOM   411  C CD2 . LEU A 1 59  ? 9.052   -18.090 10.994  1.00 27.93 ? 73  LEU A CD2 1 
ATOM   412  N N   . GLY A 1 60  ? 9.692   -13.988 8.014   1.00 12.78 ? 74  GLY A N   1 
ATOM   413  C CA  . GLY A 1 60  ? 8.765   -12.888 7.835   1.00 12.12 ? 74  GLY A CA  1 
ATOM   414  C C   . GLY A 1 60  ? 7.747   -13.231 6.768   1.00 12.02 ? 74  GLY A C   1 
ATOM   415  O O   . GLY A 1 60  ? 7.993   -14.083 5.913   1.00 13.48 ? 74  GLY A O   1 
ATOM   416  N N   . TRP A 1 61  ? 6.591   -12.566 6.832   1.00 13.15 ? 75  TRP A N   1 
ATOM   417  C CA  . TRP A 1 61  ? 5.574   -12.768 5.802   1.00 12.60 ? 75  TRP A CA  1 
ATOM   418  C C   . TRP A 1 61  ? 4.675   -11.546 5.695   1.00 12.55 ? 75  TRP A C   1 
ATOM   419  O O   . TRP A 1 61  ? 4.642   -10.697 6.591   1.00 12.81 ? 75  TRP A O   1 
ATOM   420  C CB  . TRP A 1 61  ? 4.742   -14.040 6.023   1.00 12.87 ? 75  TRP A CB  1 
ATOM   421  C CG  . TRP A 1 61  ? 3.783   -13.989 7.186   1.00 12.30 ? 75  TRP A CG  1 
ATOM   422  C CD1 . TRP A 1 61  ? 2.462   -13.651 7.136   1.00 13.03 ? 75  TRP A CD1 1 
ATOM   423  C CD2 . TRP A 1 61  ? 4.058   -14.331 8.556   1.00 13.42 ? 75  TRP A CD2 1 
ATOM   424  N NE1 . TRP A 1 61  ? 1.897   -13.754 8.389   1.00 13.24 ? 75  TRP A NE1 1 
ATOM   425  C CE2 . TRP A 1 61  ? 2.857   -14.160 9.278   1.00 12.91 ? 75  TRP A CE2 1 
ATOM   426  C CE3 . TRP A 1 61  ? 5.206   -14.749 9.244   1.00 13.49 ? 75  TRP A CE3 1 
ATOM   427  C CZ2 . TRP A 1 61  ? 2.771   -14.383 10.656  1.00 13.56 ? 75  TRP A CZ2 1 
ATOM   428  C CZ3 . TRP A 1 61  ? 5.112   -14.991 10.616  1.00 14.96 ? 75  TRP A CZ3 1 
ATOM   429  C CH2 . TRP A 1 61  ? 3.903   -14.799 11.302  1.00 14.75 ? 75  TRP A CH2 1 
ATOM   430  N N   . THR A 1 62  ? 3.945   -11.474 4.574   1.00 11.42 ? 76  THR A N   1 
ATOM   431  C CA  . THR A 1 62  ? 3.071   -10.356 4.238   1.00 11.12 ? 76  THR A CA  1 
ATOM   432  C C   . THR A 1 62  ? 1.671   -10.853 3.887   1.00 12.50 ? 76  THR A C   1 
ATOM   433  O O   . THR A 1 62  ? 1.516   -11.854 3.177   1.00 14.11 ? 76  THR A O   1 
ATOM   434  C CB  . THR A 1 62  ? 3.617   -9.585  3.013   1.00 11.30 ? 76  THR A CB  1 
ATOM   435  O OG1 . THR A 1 62  ? 4.956   -9.153  3.274   1.00 12.62 ? 76  THR A OG1 1 
ATOM   436  C CG2 . THR A 1 62  ? 2.743   -8.347  2.711   1.00 12.70 ? 76  THR A CG2 1 
ATOM   437  N N   . VAL A 1 63  ? 0.655   -10.126 4.356   1.00 13.17 ? 77  VAL A N   1 
ATOM   438  C CA  . VAL A 1 63  ? -0.729  -10.280 3.901   1.00 11.31 ? 77  VAL A CA  1 
ATOM   439  C C   . VAL A 1 63  ? -1.184  -8.932  3.364   1.00 11.90 ? 77  VAL A C   1 
ATOM   440  O O   . VAL A 1 63  ? -1.123  -7.926  4.082   1.00 12.13 ? 77  VAL A O   1 
ATOM   441  C CB  . VAL A 1 63  ? -1.662  -10.722 5.043   1.00 13.13 ? 77  VAL A CB  1 
ATOM   442  C CG1 . VAL A 1 63  ? -3.127  -10.652 4.607   1.00 14.41 ? 77  VAL A CG1 1 
ATOM   443  C CG2 . VAL A 1 63  ? -1.321  -12.113 5.528   1.00 13.57 ? 77  VAL A CG2 1 
ATOM   444  N N   . ALA A 1 64  ? -1.632  -8.903  2.113   1.00 12.58 ? 78  ALA A N   1 
ATOM   445  C CA  . ALA A 1 64  ? -2.388  -7.766  1.604   1.00 11.62 ? 78  ALA A CA  1 
ATOM   446  C C   . ALA A 1 64  ? -3.863  -8.058  1.860   1.00 13.45 ? 78  ALA A C   1 
ATOM   447  O O   . ALA A 1 64  ? -4.357  -9.132  1.498   1.00 14.88 ? 78  ALA A O   1 
ATOM   448  C CB  . ALA A 1 64  ? -2.152  -7.575  0.101   1.00 13.20 ? 78  ALA A CB  1 
ATOM   449  N N   . TRP A 1 65  ? -4.555  -7.112  2.496   1.00 14.43 ? 79  TRP A N   1 
ATOM   450  C CA  . TRP A 1 65  ? -5.901  -7.362  3.010   1.00 13.68 ? 79  TRP A CA  1 
ATOM   451  C C   . TRP A 1 65  ? -6.965  -7.208  1.927   1.00 14.30 ? 79  TRP A C   1 
ATOM   452  O O   . TRP A 1 65  ? -7.939  -6.462  2.097   1.00 14.75 ? 79  TRP A O   1 
ATOM   453  C CB  . TRP A 1 65  ? -6.183  -6.480  4.236   1.00 13.59 ? 79  TRP A CB  1 
ATOM   454  C CG  . TRP A 1 65  ? -5.250  -6.792  5.389   1.00 13.50 ? 79  TRP A CG  1 
ATOM   455  C CD1 . TRP A 1 65  ? -4.208  -6.024  5.837   1.00 14.27 ? 79  TRP A CD1 1 
ATOM   456  C CD2 . TRP A 1 65  ? -5.252  -7.978  6.204   1.00 14.01 ? 79  TRP A CD2 1 
ATOM   457  N NE1 . TRP A 1 65  ? -3.571  -6.651  6.889   1.00 13.66 ? 79  TRP A NE1 1 
ATOM   458  C CE2 . TRP A 1 65  ? -4.193  -7.850  7.132   1.00 12.55 ? 79  TRP A CE2 1 
ATOM   459  C CE3 . TRP A 1 65  ? -6.053  -9.129  6.247   1.00 14.07 ? 79  TRP A CE3 1 
ATOM   460  C CZ2 . TRP A 1 65  ? -3.917  -8.825  8.091   1.00 14.28 ? 79  TRP A CZ2 1 
ATOM   461  C CZ3 . TRP A 1 65  ? -5.776  -10.098 7.200   1.00 14.80 ? 79  TRP A CZ3 1 
ATOM   462  C CH2 . TRP A 1 65  ? -4.709  -9.938  8.107   1.00 14.43 ? 79  TRP A CH2 1 
ATOM   463  N N   . LYS A 1 66  ? -6.772  -7.924  0.817   1.00 15.00 ? 80  LYS A N   1 
ATOM   464  C CA  . LYS A 1 66  ? -7.722  -8.010  -0.286  1.00 15.45 ? 80  LYS A CA  1 
ATOM   465  C C   . LYS A 1 66  ? -8.001  -9.482  -0.557  1.00 15.15 ? 80  LYS A C   1 
ATOM   466  O O   . LYS A 1 66  ? -7.065  -10.273 -0.711  1.00 16.42 ? 80  LYS A O   1 
ATOM   467  C CB  . LYS A 1 66  ? -7.143  -7.374  -1.562  1.00 15.60 ? 80  LYS A CB  1 
ATOM   468  C CG  . LYS A 1 66  ? -7.984  -7.607  -2.813  1.00 17.69 ? 80  LYS A CG  1 
ATOM   469  C CD  . LYS A 1 66  ? -7.320  -7.005  -4.049  1.00 20.14 ? 80  LYS A CD  1 
ATOM   470  C CE  . LYS A 1 66  ? -8.104  -7.324  -5.317  1.00 22.18 ? 80  LYS A CE  1 
ATOM   471  N NZ  . LYS A 1 66  ? -8.053  -8.765  -5.679  1.00 24.13 ? 80  LYS A NZ  1 
ATOM   472  N N   . ASN A 1 67  ? -9.278  -9.850  -0.604  1.00 14.81 ? 81  ASN A N   1 
ATOM   473  C CA  . ASN A 1 67  ? -9.682  -11.184 -1.045  1.00 15.99 ? 81  ASN A CA  1 
ATOM   474  C C   . ASN A 1 67  ? -10.967 -11.029 -1.851  1.00 18.15 ? 81  ASN A C   1 
ATOM   475  O O   . ASN A 1 67  ? -11.334 -9.924  -2.265  1.00 19.06 ? 81  ASN A O   1 
ATOM   476  C CB  . ASN A 1 67  ? -9.737  -12.186 0.124   1.00 17.03 ? 81  ASN A CB  1 
ATOM   477  C CG  . ASN A 1 67  ? -10.829 -11.863 1.133   1.00 16.85 ? 81  ASN A CG  1 
ATOM   478  O OD1 . ASN A 1 67  ? -11.687 -11.024 0.888   1.00 17.58 ? 81  ASN A OD1 1 
ATOM   479  N ND2 . ASN A 1 67  ? -10.808 -12.550 2.270   1.00 17.88 ? 81  ASN A ND2 1 
ATOM   480  N N   . ASN A 1 68  ? -11.677 -12.139 -2.078  1.00 19.32 ? 82  ASN A N   1 
ATOM   481  C CA  . ASN A 1 68  ? -12.902 -12.073 -2.872  1.00 21.32 ? 82  ASN A CA  1 
ATOM   482  C C   . ASN A 1 68  ? -14.028 -11.348 -2.148  1.00 22.06 ? 82  ASN A C   1 
ATOM   483  O O   . ASN A 1 68  ? -15.003 -10.945 -2.790  1.00 24.34 ? 82  ASN A O   1 
ATOM   484  C CB  . ASN A 1 68  ? -13.363 -13.475 -3.278  1.00 26.30 ? 82  ASN A CB  1 
ATOM   485  C CG  . ASN A 1 68  ? -12.407 -14.144 -4.243  1.00 31.49 ? 82  ASN A CG  1 
ATOM   486  O OD1 . ASN A 1 68  ? -11.578 -13.481 -4.872  1.00 32.20 ? 82  ASN A OD1 1 
ATOM   487  N ND2 . ASN A 1 68  ? -12.516 -15.464 -4.368  1.00 34.84 ? 82  ASN A ND2 1 
ATOM   488  N N   . TYR A 1 69  ? -13.909 -11.162 -0.837  1.00 20.58 ? 83  TYR A N   1 
ATOM   489  C CA  . TYR A 1 69  ? -14.984 -10.606 -0.024  1.00 22.25 ? 83  TYR A CA  1 
ATOM   490  C C   . TYR A 1 69  ? -14.799 -9.134  0.310   1.00 22.05 ? 83  TYR A C   1 
ATOM   491  O O   . TYR A 1 69  ? -15.778 -8.385  0.295   1.00 23.60 ? 83  TYR A O   1 
ATOM   492  C CB  . TYR A 1 69  ? -15.136 -11.415 1.268   1.00 24.27 ? 83  TYR A CB  1 
ATOM   493  C CG  . TYR A 1 69  ? -15.329 -12.880 0.987   1.00 23.56 ? 83  TYR A CG  1 
ATOM   494  C CD1 . TYR A 1 69  ? -16.584 -13.385 0.675   1.00 25.71 ? 83  TYR A CD1 1 
ATOM   495  C CD2 . TYR A 1 69  ? -14.255 -13.753 0.992   1.00 25.52 ? 83  TYR A CD2 1 
ATOM   496  C CE1 . TYR A 1 69  ? -16.762 -14.723 0.397   1.00 26.21 ? 83  TYR A CE1 1 
ATOM   497  C CE2 . TYR A 1 69  ? -14.426 -15.100 0.715   1.00 26.08 ? 83  TYR A CE2 1 
ATOM   498  C CZ  . TYR A 1 69  ? -15.680 -15.577 0.416   1.00 26.07 ? 83  TYR A CZ  1 
ATOM   499  O OH  . TYR A 1 69  ? -15.853 -16.913 0.137   1.00 28.34 ? 83  TYR A OH  1 
ATOM   500  N N   . ARG A 1 70  ? -13.573 -8.697  0.604   1.00 19.90 ? 84  ARG A N   1 
ATOM   501  C CA  . ARG A 1 70  ? -13.335 -7.331  1.063   1.00 21.28 ? 84  ARG A CA  1 
ATOM   502  C C   . ARG A 1 70  ? -11.964 -6.866  0.594   1.00 17.85 ? 84  ARG A C   1 
ATOM   503  O O   . ARG A 1 70  ? -11.113 -7.667  0.208   1.00 16.88 ? 84  ARG A O   1 
ATOM   504  C CB  . ARG A 1 70  ? -13.365 -7.229  2.594   1.00 24.43 ? 84  ARG A CB  1 
ATOM   505  C CG  . ARG A 1 70  ? -14.686 -7.568  3.251   1.00 27.99 ? 84  ARG A CG  1 
ATOM   506  C CD  . ARG A 1 70  ? -14.596 -7.307  4.742   1.00 31.49 ? 84  ARG A CD  1 
ATOM   507  N NE  . ARG A 1 70  ? -15.772 -7.770  5.466   1.00 35.56 ? 84  ARG A NE  1 
ATOM   508  C CZ  . ARG A 1 70  ? -16.041 -7.450  6.724   1.00 38.70 ? 84  ARG A CZ  1 
ATOM   509  N NH1 . ARG A 1 70  ? -15.254 -6.636  7.413   1.00 39.01 ? 84  ARG A NH1 1 
ATOM   510  N NH2 . ARG A 1 70  ? -17.126 -7.954  7.306   1.00 40.45 ? 84  ARG A NH2 1 
ATOM   511  N N   . ASN A 1 71  ? -11.763 -5.548  0.634   1.00 17.17 ? 85  ASN A N   1 
ATOM   512  C CA  . ASN A 1 71  ? -10.451 -4.957  0.352   1.00 16.16 ? 85  ASN A CA  1 
ATOM   513  C C   . ASN A 1 71  ? -10.264 -3.748  1.260   1.00 15.80 ? 85  ASN A C   1 
ATOM   514  O O   . ASN A 1 71  ? -10.880 -2.704  1.036   1.00 19.03 ? 85  ASN A O   1 
ATOM   515  C CB  . ASN A 1 71  ? -10.308 -4.555  -1.114  1.00 17.26 ? 85  ASN A CB  1 
ATOM   516  C CG  . ASN A 1 71  ? -8.875  -4.163  -1.467  1.00 15.73 ? 85  ASN A CG  1 
ATOM   517  O OD1 . ASN A 1 71  ? -8.025  -4.000  -0.578  1.00 15.79 ? 85  ASN A OD1 1 
ATOM   518  N ND2 . ASN A 1 71  ? -8.597  -4.012  -2.755  1.00 16.85 ? 85  ASN A ND2 1 
ATOM   519  N N   . ALA A 1 72  ? -9.395  -3.882  2.259   1.00 14.34 ? 86  ALA A N   1 
ATOM   520  C CA  . ALA A 1 72  ? -9.119  -2.819  3.218   1.00 15.37 ? 86  ALA A CA  1 
ATOM   521  C C   . ALA A 1 72  ? -8.073  -1.825  2.729   1.00 15.35 ? 86  ALA A C   1 
ATOM   522  O O   . ALA A 1 72  ? -7.788  -0.858  3.445   1.00 16.65 ? 86  ALA A O   1 
ATOM   523  C CB  . ALA A 1 72  ? -8.660  -3.416  4.553   1.00 15.87 ? 86  ALA A CB  1 
ATOM   524  N N   . HIS A 1 73  ? -7.494  -2.038  1.546   1.00 14.57 ? 87  HIS A N   1 
ATOM   525  C CA  . HIS A 1 73  ? -6.439  -1.176  1.002   1.00 14.73 ? 87  HIS A CA  1 
ATOM   526  C C   . HIS A 1 73  ? -5.289  -1.003  1.993   1.00 14.40 ? 87  HIS A C   1 
ATOM   527  O O   . HIS A 1 73  ? -4.916  0.111   2.365   1.00 15.50 ? 87  HIS A O   1 
ATOM   528  C CB  . HIS A 1 73  ? -6.998  0.173   0.539   1.00 14.72 ? 87  HIS A CB  1 
ATOM   529  C CG  . HIS A 1 73  ? -8.078  0.054   -0.485  1.00 16.13 ? 87  HIS A CG  1 
ATOM   530  N ND1 . HIS A 1 73  ? -7.939  -0.708  -1.628  1.00 16.96 ? 87  HIS A ND1 1 
ATOM   531  C CD2 . HIS A 1 73  ? -9.316  0.599   -0.547  1.00 17.71 ? 87  HIS A CD2 1 
ATOM   532  C CE1 . HIS A 1 73  ? -9.047  -0.631  -2.343  1.00 17.80 ? 87  HIS A CE1 1 
ATOM   533  N NE2 . HIS A 1 73  ? -9.896  0.162   -1.714  1.00 18.95 ? 87  HIS A NE2 1 
ATOM   534  N N   . SER A 1 74  ? -4.736  -2.135  2.424   1.00 13.35 ? 88  SER A N   1 
ATOM   535  C CA  . SER A 1 74  ? -3.721  -2.148  3.472   1.00 12.89 ? 88  SER A CA  1 
ATOM   536  C C   . SER A 1 74  ? -2.985  -3.478  3.420   1.00 10.31 ? 88  SER A C   1 
ATOM   537  O O   . SER A 1 74  ? -3.429  -4.426  2.768   1.00 12.72 ? 88  SER A O   1 
ATOM   538  C CB  . SER A 1 74  ? -4.343  -1.918  4.852   1.00 14.44 ? 88  SER A CB  1 
ATOM   539  O OG  . SER A 1 74  ? -5.229  -2.970  5.191   1.00 14.79 ? 88  SER A OG  1 
ATOM   540  N N   . ALA A 1 75  ? -1.842  -3.538  4.111   1.00 10.55 ? 89  ALA A N   1 
ATOM   541  C CA  . ALA A 1 75  ? -1.034  -4.750  4.146   1.00 10.99 ? 89  ALA A CA  1 
ATOM   542  C C   . ALA A 1 75  ? -0.276  -4.813  5.462   1.00 10.38 ? 89  ALA A C   1 
ATOM   543  O O   . ALA A 1 75  ? 0.212   -3.791  5.945   1.00 12.13 ? 89  ALA A O   1 
ATOM   544  C CB  . ALA A 1 75  ? -0.033  -4.775  2.982   1.00 12.63 ? 89  ALA A CB  1 
ATOM   545  N N   . THR A 1 76  ? -0.181  -6.011  6.044   1.00 10.39 ? 90  THR A N   1 
ATOM   546  C CA  . THR A 1 76  ? 0.608   -6.239  7.249   1.00 10.65 ? 90  THR A CA  1 
ATOM   547  C C   . THR A 1 76  ? 1.822   -7.101  6.920   1.00 10.68 ? 90  THR A C   1 
ATOM   548  O O   . THR A 1 76  ? 1.715   -8.072  6.164   1.00 11.65 ? 90  THR A O   1 
ATOM   549  C CB  . THR A 1 76  ? -0.228  -6.965  8.310   1.00 10.43 ? 90  THR A CB  1 
ATOM   550  O OG1 . THR A 1 76  ? -1.383  -6.180  8.631   1.00 11.80 ? 90  THR A OG1 1 
ATOM   551  C CG2 . THR A 1 76  ? 0.588   -7.216  9.562   1.00 12.48 ? 90  THR A CG2 1 
ATOM   552  N N   . THR A 1 77  ? 2.981   -6.735  7.471   1.00 10.74 ? 91  THR A N   1 
ATOM   553  C CA  . THR A 1 77  ? 4.150   -7.607  7.483   1.00 12.21 ? 91  THR A CA  1 
ATOM   554  C C   . THR A 1 77  ? 4.481   -8.004  8.917   1.00 13.57 ? 91  THR A C   1 
ATOM   555  O O   . THR A 1 77  ? 4.511   -7.154  9.812   1.00 14.14 ? 91  THR A O   1 
ATOM   556  C CB  . THR A 1 77  ? 5.375   -6.941  6.840   1.00 13.56 ? 91  THR A CB  1 
ATOM   557  O OG1 . THR A 1 77  ? 5.774   -5.796  7.611   1.00 12.96 ? 91  THR A OG1 1 
ATOM   558  C CG2 . THR A 1 77  ? 5.065   -6.502  5.421   1.00 15.11 ? 91  THR A CG2 1 
ATOM   559  N N   . TRP A 1 78  ? 4.722   -9.294  9.128   1.00 11.80 ? 92  TRP A N   1 
ATOM   560  C CA  . TRP A 1 78  ? 5.171   -9.823  10.406  1.00 12.37 ? 92  TRP A CA  1 
ATOM   561  C C   . TRP A 1 78  ? 6.631   -10.218 10.256  1.00 12.01 ? 92  TRP A C   1 
ATOM   562  O O   . TRP A 1 78  ? 6.993   -10.908 9.299   1.00 12.58 ? 92  TRP A O   1 
ATOM   563  C CB  . TRP A 1 78  ? 4.396   -11.085 10.801  1.00 12.06 ? 92  TRP A CB  1 
ATOM   564  C CG  . TRP A 1 78  ? 2.950   -10.919 11.198  1.00 11.77 ? 92  TRP A CG  1 
ATOM   565  C CD1 . TRP A 1 78  ? 2.443   -10.901 12.479  1.00 12.00 ? 92  TRP A CD1 1 
ATOM   566  C CD2 . TRP A 1 78  ? 1.815   -10.816 10.320  1.00 12.71 ? 92  TRP A CD2 1 
ATOM   567  N NE1 . TRP A 1 78  ? 1.073   -10.779 12.444  1.00 12.42 ? 92  TRP A NE1 1 
ATOM   568  C CE2 . TRP A 1 78  ? 0.660   -10.728 11.137  1.00 12.58 ? 92  TRP A CE2 1 
ATOM   569  C CE3 . TRP A 1 78  ? 1.662   -10.786 8.928   1.00 13.57 ? 92  TRP A CE3 1 
ATOM   570  C CZ2 . TRP A 1 78  ? -0.626  -10.604 10.606  1.00 12.61 ? 92  TRP A CZ2 1 
ATOM   571  C CZ3 . TRP A 1 78  ? 0.369   -10.661 8.397   1.00 13.33 ? 92  TRP A CZ3 1 
ATOM   572  C CH2 . TRP A 1 78  ? -0.754  -10.583 9.237   1.00 11.80 ? 92  TRP A CH2 1 
ATOM   573  N N   . SER A 1 79  ? 7.454   -9.806  11.214  1.00 12.73 ? 93  SER A N   1 
ATOM   574  C CA  . SER A 1 79  ? 8.879   -10.107 11.232  1.00 12.24 ? 93  SER A CA  1 
ATOM   575  C C   . SER A 1 79  ? 9.177   -10.752 12.576  1.00 12.64 ? 93  SER A C   1 
ATOM   576  O O   . SER A 1 79  ? 8.811   -10.202 13.619  1.00 13.67 ? 93  SER A O   1 
ATOM   577  C CB  . SER A 1 79  ? 9.683   -8.808  11.083  1.00 14.64 ? 93  SER A CB  1 
ATOM   578  O OG  . SER A 1 79  ? 11.079  -9.062  11.085  1.00 16.06 ? 93  SER A OG  1 
ATOM   579  N N   . GLY A 1 80  ? 9.819   -11.912 12.572  1.00 13.04 ? 94  GLY A N   1 
ATOM   580  C CA  . GLY A 1 80  ? 9.998   -12.591 13.834  1.00 13.90 ? 94  GLY A CA  1 
ATOM   581  C C   . GLY A 1 80  ? 10.896  -13.802 13.773  1.00 14.13 ? 94  GLY A C   1 
ATOM   582  O O   . GLY A 1 80  ? 11.732  -13.944 12.879  1.00 13.75 ? 94  GLY A O   1 
ATOM   583  N N   . GLN A 1 81  ? 10.738  -14.664 14.772  1.00 15.77 ? 95  GLN A N   1 
ATOM   584  C CA  . GLN A 1 81  ? 11.514  -15.892 14.813  1.00 14.94 ? 95  GLN A CA  1 
ATOM   585  C C   . GLN A 1 81  ? 10.706  -17.036 15.412  1.00 16.22 ? 95  GLN A C   1 
ATOM   586  O O   . GLN A 1 81  ? 9.896   -16.847 16.325  1.00 15.54 ? 95  GLN A O   1 
ATOM   587  C CB  . GLN A 1 81  ? 12.863  -15.721 15.533  1.00 15.94 ? 95  GLN A CB  1 
ATOM   588  C CG  . GLN A 1 81  ? 12.768  -15.304 16.986  1.00 17.76 ? 95  GLN A CG  1 
ATOM   589  C CD  . GLN A 1 81  ? 14.135  -15.163 17.635  1.00 18.75 ? 95  GLN A CD  1 
ATOM   590  O OE1 . GLN A 1 81  ? 15.011  -16.019 17.463  1.00 17.86 ? 95  GLN A OE1 1 
ATOM   591  N NE2 . GLN A 1 81  ? 14.323  -14.081 18.395  1.00 20.95 ? 95  GLN A NE2 1 
ATOM   592  N N   . TYR A 1 82  ? 10.941  -18.224 14.869  1.00 16.99 ? 96  TYR A N   1 
ATOM   593  C CA  . TYR A 1 82  ? 10.373  -19.461 15.378  1.00 18.23 ? 96  TYR A CA  1 
ATOM   594  C C   . TYR A 1 82  ? 11.293  -20.031 16.453  1.00 20.09 ? 96  TYR A C   1 
ATOM   595  O O   . TYR A 1 82  ? 12.511  -20.120 16.260  1.00 18.35 ? 96  TYR A O   1 
ATOM   596  C CB  . TYR A 1 82  ? 10.224  -20.448 14.220  1.00 18.50 ? 96  TYR A CB  1 
ATOM   597  C CG  . TYR A 1 82  ? 10.037  -21.898 14.621  1.00 18.77 ? 96  TYR A CG  1 
ATOM   598  C CD1 . TYR A 1 82  ? 8.774   -22.408 14.900  1.00 18.22 ? 96  TYR A CD1 1 
ATOM   599  C CD2 . TYR A 1 82  ? 11.119  -22.765 14.679  1.00 20.08 ? 96  TYR A CD2 1 
ATOM   600  C CE1 . TYR A 1 82  ? 8.597   -23.736 15.246  1.00 20.80 ? 96  TYR A CE1 1 
ATOM   601  C CE2 . TYR A 1 82  ? 10.952  -24.092 15.036  1.00 22.69 ? 96  TYR A CE2 1 
ATOM   602  C CZ  . TYR A 1 82  ? 9.687   -24.572 15.314  1.00 22.96 ? 96  TYR A CZ  1 
ATOM   603  O OH  . TYR A 1 82  ? 9.524   -25.899 15.661  1.00 24.96 ? 96  TYR A OH  1 
ATOM   604  N N   . VAL A 1 83  ? 10.709  -20.413 17.583  1.00 20.61 ? 97  VAL A N   1 
ATOM   605  C CA  . VAL A 1 83  ? 11.441  -20.976 18.708  1.00 25.51 ? 97  VAL A CA  1 
ATOM   606  C C   . VAL A 1 83  ? 10.829  -22.341 18.984  1.00 28.18 ? 97  VAL A C   1 
ATOM   607  O O   . VAL A 1 83  ? 9.656   -22.436 19.369  1.00 29.33 ? 97  VAL A O   1 
ATOM   608  C CB  . VAL A 1 83  ? 11.361  -20.065 19.940  1.00 26.43 ? 97  VAL A CB  1 
ATOM   609  C CG1 . VAL A 1 83  ? 12.071  -20.691 21.134  1.00 25.95 ? 97  VAL A CG1 1 
ATOM   610  C CG2 . VAL A 1 83  ? 11.952  -18.700 19.615  1.00 29.38 ? 97  VAL A CG2 1 
ATOM   611  N N   . GLY A 1 84  ? 11.601  -23.399 18.751  1.00 30.22 ? 98  GLY A N   1 
ATOM   612  C CA  . GLY A 1 84  ? 11.103  -24.738 18.984  1.00 32.80 ? 98  GLY A CA  1 
ATOM   613  C C   . GLY A 1 84  ? 11.068  -25.084 20.459  1.00 35.80 ? 98  GLY A C   1 
ATOM   614  O O   . GLY A 1 84  ? 11.557  -24.352 21.320  1.00 37.66 ? 98  GLY A O   1 
ATOM   615  N N   . GLY A 1 85  ? 10.470  -26.227 20.757  1.00 37.23 ? 99  GLY A N   1 
ATOM   616  C CA  . GLY A 1 85  ? 10.413  -26.711 22.117  1.00 38.27 ? 99  GLY A CA  1 
ATOM   617  C C   . GLY A 1 85  ? 9.094   -27.391 22.398  1.00 40.32 ? 99  GLY A C   1 
ATOM   618  O O   . GLY A 1 85  ? 8.284   -27.623 21.502  1.00 42.22 ? 99  GLY A O   1 
ATOM   619  N N   . ALA A 1 86  ? 8.886   -27.724 23.676  1.00 41.42 ? 100 ALA A N   1 
ATOM   620  C CA  . ALA A 1 86  ? 7.648   -28.383 24.077  1.00 41.66 ? 100 ALA A CA  1 
ATOM   621  C C   . ALA A 1 86  ? 6.437   -27.502 23.813  1.00 41.36 ? 100 ALA A C   1 
ATOM   622  O O   . ALA A 1 86  ? 5.341   -28.011 23.546  1.00 43.62 ? 100 ALA A O   1 
ATOM   623  C CB  . ALA A 1 86  ? 7.714   -28.773 25.553  1.00 41.98 ? 100 ALA A CB  1 
ATOM   624  N N   . GLU A 1 87  ? 6.613   -26.187 23.887  1.00 37.52 ? 101 GLU A N   1 
ATOM   625  C CA  . GLU A 1 87  ? 5.576   -25.215 23.563  1.00 34.77 ? 101 GLU A CA  1 
ATOM   626  C C   . GLU A 1 87  ? 6.157   -24.338 22.462  1.00 30.73 ? 101 GLU A C   1 
ATOM   627  O O   . GLU A 1 87  ? 6.629   -23.233 22.726  1.00 30.73 ? 101 GLU A O   1 
ATOM   628  C CB  . GLU A 1 87  ? 5.224   -24.404 24.804  1.00 37.57 ? 101 GLU A CB  1 
ATOM   629  C CG  . GLU A 1 87  ? 4.766   -25.249 25.983  0.48 39.71 ? 101 GLU A CG  1 
ATOM   630  C CD  . GLU A 1 87  ? 5.261   -24.715 27.314  0.37 41.85 ? 101 GLU A CD  1 
ATOM   631  O OE1 . GLU A 1 87  ? 6.122   -23.808 27.312  0.51 42.93 ? 101 GLU A OE1 1 
ATOM   632  O OE2 . GLU A 1 87  ? 4.790   -25.208 28.362  0.46 42.81 ? 101 GLU A OE2 1 
ATOM   633  N N   . ALA A 1 88  ? 6.141   -24.851 21.232  1.00 29.62 ? 102 ALA A N   1 
ATOM   634  C CA  . ALA A 1 88  ? 6.701   -24.124 20.102  1.00 29.68 ? 102 ALA A CA  1 
ATOM   635  C C   . ALA A 1 88  ? 5.978   -22.795 19.923  1.00 25.97 ? 102 ALA A C   1 
ATOM   636  O O   . ALA A 1 88  ? 4.780   -22.677 20.192  1.00 26.35 ? 102 ALA A O   1 
ATOM   637  C CB  . ALA A 1 88  ? 6.580   -24.958 18.825  1.00 31.31 ? 102 ALA A CB  1 
ATOM   638  N N   . ARG A 1 89  ? 6.721   -21.786 19.460  1.00 24.32 ? 103 ARG A N   1 
ATOM   639  C CA  . ARG A 1 89  ? 6.205   -20.424 19.425  1.00 23.64 ? 103 ARG A CA  1 
ATOM   640  C C   . ARG A 1 89  ? 6.857   -19.654 18.285  1.00 20.52 ? 103 ARG A C   1 
ATOM   641  O O   . ARG A 1 89  ? 8.031   -19.871 17.970  1.00 20.86 ? 103 ARG A O   1 
ATOM   642  C CB  . ARG A 1 89  ? 6.503   -19.735 20.766  1.00 26.84 ? 103 ARG A CB  1 
ATOM   643  C CG  . ARG A 1 89  ? 5.728   -18.462 21.032  0.90 28.71 ? 103 ARG A CG  1 
ATOM   644  C CD  . ARG A 1 89  ? 5.931   -17.983 22.475  1.00 29.06 ? 103 ARG A CD  1 
ATOM   645  N NE  . ARG A 1 89  ? 5.225   -18.810 23.449  1.00 29.82 ? 103 ARG A NE  1 
ATOM   646  C CZ  . ARG A 1 89  ? 3.982   -18.590 23.855  0.51 31.07 ? 103 ARG A CZ  1 
ATOM   647  N NH1 . ARG A 1 89  ? 3.271   -17.581 23.381  0.88 30.84 ? 103 ARG A NH1 1 
ATOM   648  N NH2 . ARG A 1 89  ? 3.438   -19.403 24.758  0.93 32.59 ? 103 ARG A NH2 1 
ATOM   649  N N   . ILE A 1 90  ? 6.087   -18.772 17.655  1.00 16.84 ? 104 ILE A N   1 
ATOM   650  C CA  . ILE A 1 90  ? 6.627   -17.789 16.721  1.00 16.79 ? 104 ILE A CA  1 
ATOM   651  C C   . ILE A 1 90  ? 6.360   -16.414 17.313  1.00 16.69 ? 104 ILE A C   1 
ATOM   652  O O   . ILE A 1 90  ? 5.199   -16.021 17.480  1.00 17.42 ? 104 ILE A O   1 
ATOM   653  C CB  . ILE A 1 90  ? 6.012   -17.903 15.318  1.00 16.36 ? 104 ILE A CB  1 
ATOM   654  C CG1 . ILE A 1 90  ? 6.344   -19.259 14.689  1.00 17.65 ? 104 ILE A CG1 1 
ATOM   655  C CG2 . ILE A 1 90  ? 6.503   -16.747 14.442  1.00 17.58 ? 104 ILE A CG2 1 
ATOM   656  C CD1 . ILE A 1 90  ? 5.651   -19.519 13.352  1.00 19.21 ? 104 ILE A CD1 1 
ATOM   657  N N   . ASN A 1 91  ? 7.424   -15.688 17.624  1.00 16.73 ? 105 ASN A N   1 
ATOM   658  C CA  . ASN A 1 91  ? 7.321   -14.369 18.239  1.00 15.62 ? 105 ASN A CA  1 
ATOM   659  C C   . ASN A 1 91  ? 7.567   -13.326 17.164  1.00 14.61 ? 105 ASN A C   1 
ATOM   660  O O   . ASN A 1 91  ? 8.602   -13.364 16.491  1.00 17.07 ? 105 ASN A O   1 
ATOM   661  C CB  . ASN A 1 91  ? 8.372   -14.221 19.331  1.00 18.45 ? 105 ASN A CB  1 
ATOM   662  C CG  . ASN A 1 91  ? 8.109   -15.123 20.499  1.00 23.01 ? 105 ASN A CG  1 
ATOM   663  O OD1 . ASN A 1 91  ? 6.972   -15.243 20.957  1.00 24.87 ? 105 ASN A OD1 1 
ATOM   664  N ND2 . ASN A 1 91  ? 9.157   -15.789 20.981  1.00 25.96 ? 105 ASN A ND2 1 
ATOM   665  N N   . THR A 1 92  ? 6.622   -12.403 16.995  1.00 13.76 ? 106 THR A N   1 
ATOM   666  C CA  . THR A 1 92  ? 6.717   -11.438 15.910  1.00 12.64 ? 106 THR A CA  1 
ATOM   667  C C   . THR A 1 92  ? 6.445   -10.012 16.364  1.00 14.24 ? 106 THR A C   1 
ATOM   668  O O   . THR A 1 92  ? 5.784   -9.756  17.382  1.00 13.98 ? 106 THR A O   1 
ATOM   669  C CB  . THR A 1 92  ? 5.720   -11.710 14.761  1.00 12.59 ? 106 THR A CB  1 
ATOM   670  O OG1 . THR A 1 92  ? 4.385   -11.409 15.196  1.00 14.35 ? 106 THR A OG1 1 
ATOM   671  C CG2 . THR A 1 92  ? 5.797   -13.146 14.262  1.00 14.54 ? 106 THR A CG2 1 
ATOM   672  N N   A GLN A 1 93  ? 6.953   -9.083  15.568  0.63 14.55 ? 107 GLN A N   1 
ATOM   673  N N   B GLN A 1 93  ? 7.004   -9.081  15.595  0.37 14.21 ? 107 GLN A N   1 
ATOM   674  C CA  A GLN A 1 93  ? 6.496   -7.708  15.564  0.63 14.07 ? 107 GLN A CA  1 
ATOM   675  C CA  B GLN A 1 93  ? 6.574   -7.696  15.512  0.37 13.32 ? 107 GLN A CA  1 
ATOM   676  C C   A GLN A 1 93  ? 6.029   -7.379  14.154  0.63 13.07 ? 107 GLN A C   1 
ATOM   677  C C   B GLN A 1 93  ? 5.904   -7.510  14.157  0.37 11.88 ? 107 GLN A C   1 
ATOM   678  O O   A GLN A 1 93  ? 6.543   -7.923  13.173  0.63 13.75 ? 107 GLN A O   1 
ATOM   679  O O   B GLN A 1 93  ? 6.171   -8.255  13.210  0.37 10.62 ? 107 GLN A O   1 
ATOM   680  C CB  A GLN A 1 93  ? 7.594   -6.755  16.037  0.63 15.83 ? 107 GLN A CB  1 
ATOM   681  C CB  B GLN A 1 93  ? 7.774   -6.745  15.608  0.37 14.32 ? 107 GLN A CB  1 
ATOM   682  C CG  A GLN A 1 93  ? 7.951   -7.000  17.493  0.63 16.48 ? 107 GLN A CG  1 
ATOM   683  C CG  B GLN A 1 93  ? 8.619   -6.906  16.859  0.37 15.74 ? 107 GLN A CG  1 
ATOM   684  C CD  A GLN A 1 93  ? 8.974   -6.023  18.023  0.63 16.09 ? 107 GLN A CD  1 
ATOM   685  C CD  B GLN A 1 93  ? 8.117   -6.082  18.029  0.37 16.84 ? 107 GLN A CD  1 
ATOM   686  O OE1 A GLN A 1 93  ? 8.624   -4.956  18.528  0.63 18.40 ? 107 GLN A OE1 1 
ATOM   687  O OE1 B GLN A 1 93  ? 7.274   -5.197  17.870  0.37 19.01 ? 107 GLN A OE1 1 
ATOM   688  N NE2 A GLN A 1 93  ? 10.250  -6.388  17.925  0.63 17.81 ? 107 GLN A NE2 1 
ATOM   689  N NE2 B GLN A 1 93  ? 8.638   -6.367  19.217  0.37 16.35 ? 107 GLN A NE2 1 
ATOM   690  N N   . TRP A 1 94  ? 5.021   -6.517  14.058  1.00 12.23 ? 108 TRP A N   1 
ATOM   691  C CA  . TRP A 1 94  ? 4.330   -6.290  12.794  1.00 11.32 ? 108 TRP A CA  1 
ATOM   692  C C   . TRP A 1 94  ? 4.136   -4.815  12.478  1.00 12.36 ? 108 TRP A C   1 
ATOM   693  O O   . TRP A 1 94  ? 4.088   -3.964  13.368  1.00 12.92 ? 108 TRP A O   1 
ATOM   694  C CB  . TRP A 1 94  ? 3.006   -7.074  12.676  1.00 11.60 ? 108 TRP A CB  1 
ATOM   695  C CG  . TRP A 1 94  ? 1.997   -6.840  13.766  1.00 11.50 ? 108 TRP A CG  1 
ATOM   696  C CD1 . TRP A 1 94  ? 1.722   -7.675  14.814  1.00 12.14 ? 108 TRP A CD1 1 
ATOM   697  C CD2 . TRP A 1 94  ? 1.117   -5.714  13.909  1.00 12.42 ? 108 TRP A CD2 1 
ATOM   698  N NE1 . TRP A 1 94  ? 0.725   -7.138  15.598  1.00 12.10 ? 108 TRP A NE1 1 
ATOM   699  C CE2 . TRP A 1 94  ? 0.334   -5.936  15.062  1.00 13.28 ? 108 TRP A CE2 1 
ATOM   700  C CE3 . TRP A 1 94  ? 0.901   -4.547  13.161  1.00 11.99 ? 108 TRP A CE3 1 
ATOM   701  C CZ2 . TRP A 1 94  ? -0.636  -5.024  15.500  1.00 12.50 ? 108 TRP A CZ2 1 
ATOM   702  C CZ3 . TRP A 1 94  ? -0.067  -3.641  13.596  1.00 10.95 ? 108 TRP A CZ3 1 
ATOM   703  C CH2 . TRP A 1 94  ? -0.823  -3.891  14.753  1.00 11.69 ? 108 TRP A CH2 1 
ATOM   704  N N   . LEU A 1 95  ? 4.048   -4.535  11.176  1.00 10.74 ? 109 LEU A N   1 
ATOM   705  C CA  . LEU A 1 95  ? 3.758   -3.210  10.646  1.00 10.04 ? 109 LEU A CA  1 
ATOM   706  C C   . LEU A 1 95  ? 2.579   -3.344  9.705   1.00 10.77 ? 109 LEU A C   1 
ATOM   707  O O   . LEU A 1 95  ? 2.583   -4.205  8.822   1.00 13.65 ? 109 LEU A O   1 
ATOM   708  C CB  . LEU A 1 95  ? 4.954   -2.666  9.854   1.00 11.73 ? 109 LEU A CB  1 
ATOM   709  C CG  . LEU A 1 95  ? 6.224   -2.340  10.635  1.00 12.02 ? 109 LEU A CG  1 
ATOM   710  C CD1 . LEU A 1 95  ? 7.368   -2.000  9.670   1.00 13.82 ? 109 LEU A CD1 1 
ATOM   711  C CD2 . LEU A 1 95  ? 5.963   -1.192  11.604  1.00 14.21 ? 109 LEU A CD2 1 
ATOM   712  N N   . LEU A 1 96  ? 1.582   -2.481  9.878   1.00 10.87 ? 110 LEU A N   1 
ATOM   713  C CA  . LEU A 1 96  ? 0.364   -2.500  9.075   1.00 11.00 ? 110 LEU A CA  1 
ATOM   714  C C   . LEU A 1 96  ? 0.225   -1.140  8.398   1.00 11.83 ? 110 LEU A C   1 
ATOM   715  O O   . LEU A 1 96  ? -0.082  -0.141  9.057   1.00 12.40 ? 110 LEU A O   1 
ATOM   716  C CB  . LEU A 1 96  ? -0.828  -2.831  9.975   1.00 12.44 ? 110 LEU A CB  1 
ATOM   717  C CG  . LEU A 1 96  ? -2.247  -2.480  9.547   1.00 14.55 ? 110 LEU A CG  1 
ATOM   718  C CD1 . LEU A 1 96  ? -2.574  -3.030  8.165   1.00 15.12 ? 110 LEU A CD1 1 
ATOM   719  C CD2 . LEU A 1 96  ? -3.166  -3.074  10.605  1.00 17.16 ? 110 LEU A CD2 1 
ATOM   720  N N   . THR A 1 97  ? 0.480   -1.091  7.089   1.00 11.48 ? 111 THR A N   1 
ATOM   721  C CA  . THR A 1 97  ? 0.442   0.157   6.336   1.00 10.66 ? 111 THR A CA  1 
ATOM   722  C C   . THR A 1 97  ? -0.804  0.201   5.460   1.00 11.77 ? 111 THR A C   1 
ATOM   723  O O   . THR A 1 97  ? -1.085  -0.749  4.724   1.00 13.52 ? 111 THR A O   1 
ATOM   724  C CB  . THR A 1 97  ? 1.678   0.320   5.442   1.00 12.41 ? 111 THR A CB  1 
ATOM   725  O OG1 . THR A 1 97  ? 2.868   0.218   6.229   1.00 14.43 ? 111 THR A OG1 1 
ATOM   726  C CG2 . THR A 1 97  ? 1.639   1.690   4.752   1.00 14.89 ? 111 THR A CG2 1 
ATOM   727  N N   . SER A 1 98  ? -1.533  1.314   5.534   1.00 11.65 ? 112 SER A N   1 
ATOM   728  C CA  . SER A 1 98  ? -2.679  1.572   4.680   1.00 12.58 ? 112 SER A CA  1 
ATOM   729  C C   . SER A 1 98  ? -2.263  2.460   3.516   1.00 15.02 ? 112 SER A C   1 
ATOM   730  O O   . SER A 1 98  ? -1.368  3.295   3.649   1.00 17.46 ? 112 SER A O   1 
ATOM   731  C CB  . SER A 1 98  ? -3.755  2.315   5.475   1.00 13.98 ? 112 SER A CB  1 
ATOM   732  O OG  . SER A 1 98  ? -4.246  1.508   6.532   1.00 16.72 ? 112 SER A OG  1 
ATOM   733  N N   . GLY A 1 99  ? -2.923  2.273   2.378   1.00 14.43 ? 113 GLY A N   1 
ATOM   734  C CA  . GLY A 1 99  ? -2.792  3.233   1.289   1.00 15.04 ? 113 GLY A CA  1 
ATOM   735  C C   . GLY A 1 99  ? -3.478  4.535   1.658   1.00 17.14 ? 113 GLY A C   1 
ATOM   736  O O   . GLY A 1 99  ? -4.661  4.549   2.028   1.00 19.26 ? 113 GLY A O   1 
ATOM   737  N N   . THR A 1 100 ? -2.732  5.642   1.581   1.00 16.27 ? 114 THR A N   1 
ATOM   738  C CA  . THR A 1 100 ? -3.230  6.950   1.991   1.00 15.52 ? 114 THR A CA  1 
ATOM   739  C C   . THR A 1 100 ? -2.822  7.997   0.964   1.00 15.67 ? 114 THR A C   1 
ATOM   740  O O   . THR A 1 100 ? -1.985  7.753   0.088   1.00 16.85 ? 114 THR A O   1 
ATOM   741  C CB  . THR A 1 100 ? -2.650  7.380   3.351   1.00 16.69 ? 114 THR A CB  1 
ATOM   742  O OG1 . THR A 1 100 ? -1.257  7.674   3.201   1.00 17.98 ? 114 THR A OG1 1 
ATOM   743  C CG2 . THR A 1 100 ? -2.815  6.290   4.408   1.00 18.51 ? 114 THR A CG2 1 
ATOM   744  N N   . THR A 1 101 ? -3.411  9.185   1.093   1.00 17.32 ? 115 THR A N   1 
ATOM   745  C CA  . THR A 1 101 ? -2.878  10.354  0.413   1.00 18.19 ? 115 THR A CA  1 
ATOM   746  C C   . THR A 1 101 ? -1.582  10.795  1.090   1.00 18.75 ? 115 THR A C   1 
ATOM   747  O O   . THR A 1 101 ? -1.255  10.367  2.198   1.00 18.34 ? 115 THR A O   1 
ATOM   748  C CB  . THR A 1 101 ? -3.874  11.506  0.499   1.00 19.09 ? 115 THR A CB  1 
ATOM   749  O OG1 . THR A 1 101 ? -4.048  11.874  1.874   1.00 19.56 ? 115 THR A OG1 1 
ATOM   750  C CG2 . THR A 1 101 ? -5.219  11.095  -0.102  1.00 18.92 ? 115 THR A CG2 1 
ATOM   751  N N   . GLU A 1 102 ? -0.833  11.671  0.413   1.00 18.92 ? 116 GLU A N   1 
ATOM   752  C CA  . GLU A 1 102 ? 0.408   12.171  1.002   1.00 21.05 ? 116 GLU A CA  1 
ATOM   753  C C   . GLU A 1 102 ? 0.146   12.937  2.297   1.00 18.48 ? 116 GLU A C   1 
ATOM   754  O O   . GLU A 1 102 ? 0.899   12.799  3.271   1.00 20.29 ? 116 GLU A O   1 
ATOM   755  C CB  . GLU A 1 102 ? 1.177   13.026  -0.006  1.00 23.45 ? 116 GLU A CB  1 
ATOM   756  C CG  . GLU A 1 102 ? 2.470   13.625  0.553   1.00 29.03 ? 116 GLU A CG  1 
ATOM   757  C CD  . GLU A 1 102 ? 3.464   12.573  1.052   1.00 34.48 ? 116 GLU A CD  1 
ATOM   758  O OE1 . GLU A 1 102 ? 3.470   11.439  0.523   1.00 35.73 ? 116 GLU A OE1 1 
ATOM   759  O OE2 . GLU A 1 102 ? 4.249   12.886  1.977   1.00 38.01 ? 116 GLU A OE2 1 
ATOM   760  N N   . ALA A 1 103 ? -0.925  13.732  2.335   1.00 18.39 ? 117 ALA A N   1 
ATOM   761  C CA  . ALA A 1 103 ? -1.224  14.505  3.535   1.00 19.53 ? 117 ALA A CA  1 
ATOM   762  C C   . ALA A 1 103 ? -1.504  13.611  4.735   1.00 18.43 ? 117 ALA A C   1 
ATOM   763  O O   . ALA A 1 103 ? -1.295  14.029  5.882   1.00 19.57 ? 117 ALA A O   1 
ATOM   764  C CB  . ALA A 1 103 ? -2.421  15.417  3.288   1.00 20.85 ? 117 ALA A CB  1 
ATOM   765  N N   . ASN A 1 104 ? -1.988  12.389  4.503   1.00 18.56 ? 118 ASN A N   1 
ATOM   766  C CA  . ASN A 1 104 ? -2.305  11.465  5.584   1.00 17.70 ? 118 ASN A CA  1 
ATOM   767  C C   . ASN A 1 104 ? -1.249  10.386  5.781   1.00 17.40 ? 118 ASN A C   1 
ATOM   768  O O   . ASN A 1 104 ? -1.437  9.503   6.629   1.00 16.84 ? 118 ASN A O   1 
ATOM   769  C CB  . ASN A 1 104 ? -3.679  10.826  5.355   1.00 18.58 ? 118 ASN A CB  1 
ATOM   770  C CG  . ASN A 1 104 ? -4.816  11.827  5.494   1.00 21.09 ? 118 ASN A CG  1 
ATOM   771  O OD1 . ASN A 1 104 ? -4.748  12.760  6.304   1.00 22.53 ? 118 ASN A OD1 1 
ATOM   772  N ND2 . ASN A 1 104 ? -5.873  11.636  4.704   1.00 22.24 ? 118 ASN A ND2 1 
ATOM   773  N N   . ALA A 1 105 ? -0.138  10.441  5.038   1.00 16.96 ? 119 ALA A N   1 
ATOM   774  C CA  . ALA A 1 105 ? 0.829   9.348   5.089   1.00 14.80 ? 119 ALA A CA  1 
ATOM   775  C C   . ALA A 1 105 ? 1.513   9.251   6.444   1.00 15.04 ? 119 ALA A C   1 
ATOM   776  O O   . ALA A 1 105 ? 1.962   8.165   6.828   1.00 17.15 ? 119 ALA A O   1 
ATOM   777  C CB  . ALA A 1 105 ? 1.869   9.488   3.977   1.00 15.60 ? 119 ALA A CB  1 
ATOM   778  N N   . TRP A 1 106 ? 1.599   10.359  7.188   1.00 16.49 ? 120 TRP A N   1 
ATOM   779  C CA  . TRP A 1 106 ? 2.299   10.325  8.470   1.00 16.70 ? 120 TRP A CA  1 
ATOM   780  C C   . TRP A 1 106 ? 1.648   9.349   9.441   1.00 16.83 ? 120 TRP A C   1 
ATOM   781  O O   . TRP A 1 106 ? 2.325   8.808   10.327  1.00 19.75 ? 120 TRP A O   1 
ATOM   782  C CB  . TRP A 1 106 ? 2.358   11.724  9.094   1.00 18.37 ? 120 TRP A CB  1 
ATOM   783  C CG  . TRP A 1 106 ? 1.031   12.237  9.586   1.00 20.48 ? 120 TRP A CG  1 
ATOM   784  C CD1 . TRP A 1 106 ? 0.078   12.888  8.858   1.00 21.34 ? 120 TRP A CD1 1 
ATOM   785  C CD2 . TRP A 1 106 ? 0.515   12.127  10.919  1.00 22.43 ? 120 TRP A CD2 1 
ATOM   786  N NE1 . TRP A 1 106 ? -1.002  13.197  9.662   1.00 24.52 ? 120 TRP A NE1 1 
ATOM   787  C CE2 . TRP A 1 106 ? -0.756  12.733  10.930  1.00 24.15 ? 120 TRP A CE2 1 
ATOM   788  C CE3 . TRP A 1 106 ? 1.006   11.563  12.104  1.00 24.79 ? 120 TRP A CE3 1 
ATOM   789  C CZ2 . TRP A 1 106 ? -1.537  12.807  12.086  1.00 26.36 ? 120 TRP A CZ2 1 
ATOM   790  C CZ3 . TRP A 1 106 ? 0.229   11.630  13.243  1.00 26.06 ? 120 TRP A CZ3 1 
ATOM   791  C CH2 . TRP A 1 106 ? -1.029  12.248  13.228  1.00 26.75 ? 120 TRP A CH2 1 
ATOM   792  N N   . LYS A 1 107 ? 0.344   9.109   9.290   1.00 16.57 ? 121 LYS A N   1 
ATOM   793  C CA  . LYS A 1 107 ? -0.400  8.204   10.158  1.00 17.24 ? 121 LYS A CA  1 
ATOM   794  C C   . LYS A 1 107 ? -0.847  6.944   9.418   1.00 15.63 ? 121 LYS A C   1 
ATOM   795  O O   . LYS A 1 107 ? -1.870  6.343   9.758   1.00 16.66 ? 121 LYS A O   1 
ATOM   796  C CB  . LYS A 1 107 ? -1.576  8.929   10.821  1.00 19.21 ? 121 LYS A CB  1 
ATOM   797  C CG  . LYS A 1 107 ? -2.528  9.628   9.855   1.00 20.70 ? 121 LYS A CG  1 
ATOM   798  C CD  . LYS A 1 107 ? -3.681  10.290  10.603  1.00 23.28 ? 121 LYS A CD  1 
ATOM   799  C CE  . LYS A 1 107 ? -4.660  10.958  9.645   1.00 26.43 ? 121 LYS A CE  1 
ATOM   800  N NZ  . LYS A 1 107 ? -5.835  11.535  10.360  1.00 30.35 ? 121 LYS A NZ  1 
ATOM   801  N N   . SER A 1 108 ? -0.066  6.521   8.418   1.00 14.27 ? 122 SER A N   1 
ATOM   802  C CA  . SER A 1 108 ? -0.415  5.374   7.587   1.00 12.51 ? 122 SER A CA  1 
ATOM   803  C C   . SER A 1 108 ? -0.045  4.026   8.191   1.00 12.00 ? 122 SER A C   1 
ATOM   804  O O   . SER A 1 108 ? -0.507  3.004   7.673   1.00 13.54 ? 122 SER A O   1 
ATOM   805  C CB  . SER A 1 108 ? 0.287   5.484   6.234   1.00 14.67 ? 122 SER A CB  1 
ATOM   806  O OG  . SER A 1 108 ? 1.685   5.349   6.405   1.00 17.38 ? 122 SER A OG  1 
ATOM   807  N N   . THR A 1 109 ? 0.762   3.975   9.255   1.00 11.72 ? 123 THR A N   1 
ATOM   808  C CA  . THR A 1 109 ? 1.377   2.717   9.684   1.00 10.88 ? 123 THR A CA  1 
ATOM   809  C C   . THR A 1 109 ? 1.135   2.453   11.165  1.00 11.59 ? 123 THR A C   1 
ATOM   810  O O   . THR A 1 109 ? 1.580   3.227   12.019  1.00 13.12 ? 123 THR A O   1 
ATOM   811  C CB  . THR A 1 109 ? 2.881   2.719   9.398   1.00 11.70 ? 123 THR A CB  1 
ATOM   812  O OG1 . THR A 1 109 ? 3.105   3.098   8.033   1.00 14.39 ? 123 THR A OG1 1 
ATOM   813  C CG2 . THR A 1 109 ? 3.458   1.327   9.617   1.00 13.09 ? 123 THR A CG2 1 
ATOM   814  N N   . LEU A 1 110 ? 0.469   1.337   11.465  1.00 11.93 ? 124 LEU A N   1 
ATOM   815  C CA  . LEU A 1 110 ? 0.331   0.833   12.828  1.00 11.83 ? 124 LEU A CA  1 
ATOM   816  C C   . LEU A 1 110 ? 1.423   -0.192  13.116  1.00 11.63 ? 124 LEU A C   1 
ATOM   817  O O   . LEU A 1 110 ? 1.932   -0.849  12.204  1.00 12.45 ? 124 LEU A O   1 
ATOM   818  C CB  . LEU A 1 110 ? -1.036  0.161   12.999  1.00 12.51 ? 124 LEU A CB  1 
ATOM   819  C CG  . LEU A 1 110 ? -2.260  1.089   12.925  1.00 13.53 ? 124 LEU A CG  1 
ATOM   820  C CD1 . LEU A 1 110 ? -3.528  0.272   12.655  1.00 15.79 ? 124 LEU A CD1 1 
ATOM   821  C CD2 . LEU A 1 110 ? -2.417  1.893   14.211  1.00 14.32 ? 124 LEU A CD2 1 
ATOM   822  N N   . VAL A 1 111 ? 1.767   -0.337  14.405  1.00 11.63 ? 125 VAL A N   1 
ATOM   823  C CA  . VAL A 1 111 ? 2.797   -1.273  14.851  1.00 12.26 ? 125 VAL A CA  1 
ATOM   824  C C   . VAL A 1 111 ? 2.283   -2.068  16.046  1.00 12.22 ? 125 VAL A C   1 
ATOM   825  O O   . VAL A 1 111 ? 1.580   -1.532  16.912  1.00 13.28 ? 125 VAL A O   1 
ATOM   826  C CB  . VAL A 1 111 ? 4.138   -0.565  15.185  1.00 13.59 ? 125 VAL A CB  1 
ATOM   827  C CG1 . VAL A 1 111 ? 3.975   0.438   16.322  1.00 13.76 ? 125 VAL A CG1 1 
ATOM   828  C CG2 . VAL A 1 111 ? 5.260   -1.588  15.494  1.00 14.96 ? 125 VAL A CG2 1 
ATOM   829  N N   . GLY A 1 112 ? 2.644   -3.347  16.098  1.00 12.33 ? 126 GLY A N   1 
ATOM   830  C CA  . GLY A 1 112 ? 2.298   -4.177  17.232  1.00 12.59 ? 126 GLY A CA  1 
ATOM   831  C C   . GLY A 1 112 ? 3.165   -5.415  17.307  1.00 14.19 ? 126 GLY A C   1 
ATOM   832  O O   . GLY A 1 112 ? 4.191   -5.525  16.630  1.00 14.45 ? 126 GLY A O   1 
ATOM   833  N N   . HIS A 1 113 ? 2.744   -6.344  18.162  1.00 14.30 ? 127 HIS A N   1 
ATOM   834  C CA  . HIS A 1 113 ? 3.448   -7.608  18.334  1.00 15.11 ? 127 HIS A CA  1 
ATOM   835  C C   . HIS A 1 113 ? 2.440   -8.735  18.502  1.00 15.43 ? 127 HIS A C   1 
ATOM   836  O O   . HIS A 1 113 ? 1.455   -8.597  19.237  1.00 17.67 ? 127 HIS A O   1 
ATOM   837  C CB  . HIS A 1 113 ? 4.394   -7.556  19.544  1.00 15.46 ? 127 HIS A CB  1 
ATOM   838  C CG  . HIS A 1 113 ? 3.776   -6.961  20.768  1.00 17.92 ? 127 HIS A CG  1 
ATOM   839  N ND1 . HIS A 1 113 ? 3.257   -7.727  21.788  1.00 21.66 ? 127 HIS A ND1 1 
ATOM   840  C CD2 . HIS A 1 113 ? 3.615   -5.671  21.146  1.00 16.46 ? 127 HIS A CD2 1 
ATOM   841  C CE1 . HIS A 1 113 ? 2.787   -6.935  22.737  1.00 21.60 ? 127 HIS A CE1 1 
ATOM   842  N NE2 . HIS A 1 113 ? 2.992   -5.682  22.373  1.00 20.69 ? 127 HIS A NE2 1 
ATOM   843  N N   . ASP A 1 114 ? 2.695   -9.849  17.817  1.00 14.08 ? 128 ASP A N   1 
ATOM   844  C CA  . ASP A 1 114 ? 1.855   -11.043 17.864  1.00 14.44 ? 128 ASP A CA  1 
ATOM   845  C C   . ASP A 1 114 ? 2.712   -12.239 18.239  1.00 15.04 ? 128 ASP A C   1 
ATOM   846  O O   . ASP A 1 114 ? 3.806   -12.424 17.699  1.00 15.96 ? 128 ASP A O   1 
ATOM   847  C CB  . ASP A 1 114 ? 1.252   -11.377 16.489  1.00 13.79 ? 128 ASP A CB  1 
ATOM   848  C CG  . ASP A 1 114 ? 0.051   -10.522 16.139  1.00 14.26 ? 128 ASP A CG  1 
ATOM   849  O OD1 . ASP A 1 114 ? -0.393  -9.710  16.975  1.00 17.89 ? 128 ASP A OD1 1 
ATOM   850  O OD2 . ASP A 1 114 ? -0.446  -10.667 15.008  1.00 13.83 ? 128 ASP A OD2 1 
ATOM   851  N N   . THR A 1 115 ? 2.213   -13.071 19.145  1.00 16.47 ? 129 THR A N   1 
ATOM   852  C CA  . THR A 1 115 ? 2.874   -14.332 19.437  1.00 17.27 ? 129 THR A CA  1 
ATOM   853  C C   . THR A 1 115 ? 1.967   -15.486 19.029  1.00 16.73 ? 129 THR A C   1 
ATOM   854  O O   . THR A 1 115 ? 0.770   -15.481 19.334  1.00 18.03 ? 129 THR A O   1 
ATOM   855  C CB  . THR A 1 115 ? 3.321   -14.417 20.898  1.00 21.47 ? 129 THR A CB  1 
ATOM   856  O OG1 . THR A 1 115 ? 4.011   -15.653 21.106  1.00 23.89 ? 129 THR A OG1 1 
ATOM   857  C CG2 . THR A 1 115 ? 2.142   -14.311 21.828  1.00 24.14 ? 129 THR A CG2 1 
ATOM   858  N N   . PHE A 1 116 ? 2.535   -16.448 18.304  1.00 16.46 ? 130 PHE A N   1 
ATOM   859  C CA  . PHE A 1 116 ? 1.793   -17.561 17.731  1.00 16.71 ? 130 PHE A CA  1 
ATOM   860  C C   . PHE A 1 116 ? 2.177   -18.865 18.413  1.00 19.13 ? 130 PHE A C   1 
ATOM   861  O O   . PHE A 1 116 ? 3.354   -19.111 18.689  1.00 19.99 ? 130 PHE A O   1 
ATOM   862  C CB  . PHE A 1 116 ? 2.074   -17.681 16.229  1.00 16.80 ? 130 PHE A CB  1 
ATOM   863  C CG  . PHE A 1 116 ? 1.597   -16.501 15.426  1.00 16.57 ? 130 PHE A CG  1 
ATOM   864  C CD1 . PHE A 1 116 ? 2.385   -15.358 15.295  1.00 15.69 ? 130 PHE A CD1 1 
ATOM   865  C CD2 . PHE A 1 116 ? 0.363   -16.532 14.798  1.00 15.58 ? 130 PHE A CD2 1 
ATOM   866  C CE1 . PHE A 1 116 ? 1.944   -14.260 14.549  1.00 15.07 ? 130 PHE A CE1 1 
ATOM   867  C CE2 . PHE A 1 116 ? -0.086  -15.450 14.051  1.00 14.57 ? 130 PHE A CE2 1 
ATOM   868  C CZ  . PHE A 1 116 ? 0.704   -14.309 13.922  1.00 15.43 ? 130 PHE A CZ  1 
ATOM   869  N N   . THR A 1 117 ? 1.178   -19.703 18.676  1.00 19.30 ? 131 THR A N   1 
ATOM   870  C CA  . THR A 1 117 ? 1.393   -21.043 19.202  1.00 20.94 ? 131 THR A CA  1 
ATOM   871  C C   . THR A 1 117 ? 0.553   -22.021 18.398  1.00 21.94 ? 131 THR A C   1 
ATOM   872  O O   . THR A 1 117 ? -0.450  -21.652 17.781  1.00 20.27 ? 131 THR A O   1 
ATOM   873  C CB  . THR A 1 117 ? 1.014   -21.163 20.687  1.00 24.81 ? 131 THR A CB  1 
ATOM   874  O OG1 . THR A 1 117 ? -0.387  -20.908 20.850  1.00 27.30 ? 131 THR A OG1 1 
ATOM   875  C CG2 . THR A 1 117 ? 1.817   -20.187 21.525  1.00 25.29 ? 131 THR A CG2 1 
ATOM   876  N N   . LYS A 1 118 ? 0.979   -23.285 18.406  1.00 22.95 ? 132 LYS A N   1 
ATOM   877  C CA  . LYS A 1 118 ? 0.199   -24.314 17.735  1.00 25.32 ? 132 LYS A CA  1 
ATOM   878  C C   . LYS A 1 118 ? -1.011  -24.745 18.548  1.00 25.83 ? 132 LYS A C   1 
ATOM   879  O O   . LYS A 1 118 ? -1.884  -25.437 18.016  1.00 27.85 ? 132 LYS A O   1 
ATOM   880  C CB  . LYS A 1 118 ? 1.076   -25.512 17.347  1.00 26.94 ? 132 LYS A CB  1 
ATOM   881  C CG  . LYS A 1 118 ? 2.033   -25.218 16.189  1.00 28.51 ? 132 LYS A CG  1 
ATOM   882  C CD  . LYS A 1 118 ? 2.675   -26.487 15.637  1.00 29.82 ? 132 LYS A CD  1 
ATOM   883  C CE  . LYS A 1 118 ? 3.611   -26.162 14.478  1.00 31.22 ? 132 LYS A CE  1 
ATOM   884  N NZ  . LYS A 1 118 ? 4.417   -27.326 14.016  1.00 29.83 ? 132 LYS A NZ  1 
ATOM   885  N N   . VAL A 1 119 ? -1.087  -24.344 19.811  1.00 26.68 ? 133 VAL A N   1 
ATOM   886  C CA  . VAL A 1 119 ? -2.259  -24.571 20.645  1.00 25.29 ? 133 VAL A CA  1 
ATOM   887  C C   . VAL A 1 119 ? -3.009  -23.255 20.742  1.00 25.67 ? 133 VAL A C   1 
ATOM   888  O O   . VAL A 1 119 ? -2.409  -22.212 21.034  1.00 28.41 ? 133 VAL A O   1 
ATOM   889  C CB  . VAL A 1 119 ? -1.855  -25.080 22.040  1.00 25.73 ? 133 VAL A CB  1 
ATOM   890  C CG1 . VAL A 1 119 ? -3.067  -25.110 22.967  1.00 24.80 ? 133 VAL A CG1 1 
ATOM   891  C CG2 . VAL A 1 119 ? -1.208  -26.459 21.940  1.00 27.21 ? 133 VAL A CG2 1 
ATOM   892  N N   . LYS A 1 120 ? -4.307  -23.296 20.499  1.00 23.21 ? 134 LYS A N   1 
ATOM   893  C CA  . LYS A 1 120 ? -5.104  -22.076 20.483  1.00 25.93 ? 134 LYS A CA  1 
ATOM   894  C C   . LYS A 1 120 ? -5.327  -21.582 21.907  1.00 30.23 ? 134 LYS A C   1 
ATOM   895  O O   . LYS A 1 120 ? -5.868  -22.327 22.731  1.00 31.92 ? 134 LYS A O   1 
ATOM   896  C CB  . LYS A 1 120 ? -6.442  -22.363 19.818  1.00 25.29 ? 134 LYS A CB  1 
ATOM   897  C CG  . LYS A 1 120 ? -7.311  -21.138 19.617  1.00 26.29 ? 134 LYS A CG  1 
ATOM   898  C CD  . LYS A 1 120 ? -8.503  -21.463 18.735  1.00 29.02 ? 134 LYS A CD  1 
ATOM   899  C CE  . LYS A 1 120 ? -9.164  -20.199 18.211  1.00 32.42 ? 134 LYS A CE  1 
ATOM   900  N NZ  . LYS A 1 120 ? -10.054 -20.483 17.042  1.00 35.27 ? 134 LYS A NZ  1 
ATOM   901  N N   . PRO A 1 121 ? -4.936  -20.342 22.245  1.00 32.02 ? 135 PRO A N   1 
ATOM   902  C CA  . PRO A 1 121 ? -5.151  -19.842 23.610  1.00 34.29 ? 135 PRO A CA  1 
ATOM   903  C C   . PRO A 1 121 ? -6.625  -19.573 23.921  1.00 36.02 ? 135 PRO A C   1 
ATOM   904  O O   . PRO A 1 121 ? -7.438  -19.388 23.015  1.00 36.68 ? 135 PRO A O   1 
ATOM   905  C CB  . PRO A 1 121 ? -4.352  -18.535 23.636  1.00 35.44 ? 135 PRO A CB  1 
ATOM   906  C CG  . PRO A 1 121 ? -4.277  -18.104 22.209  1.00 34.97 ? 135 PRO A CG  1 
ATOM   907  C CD  . PRO A 1 121 ? -4.218  -19.370 21.398  1.00 33.24 ? 135 PRO A CD  1 
ATOM   908  O OXT . PRO A 1 121 ? -7.041  -19.539 25.087  1.00 40.07 ? 135 PRO A OXT 1 
ATOM   909  N N   . GLY B 1 2   ? -3.483  6.018   39.729  1.00 23.24 ? 16  GLY B N   1 
ATOM   910  C CA  . GLY B 1 2   ? -3.057  4.630   39.772  1.00 20.69 ? 16  GLY B CA  1 
ATOM   911  C C   . GLY B 1 2   ? -1.676  4.361   39.191  1.00 18.09 ? 16  GLY B C   1 
ATOM   912  O O   . GLY B 1 2   ? -1.186  3.234   39.264  1.00 20.72 ? 16  GLY B O   1 
ATOM   913  N N   . ILE B 1 3   ? -1.039  5.393   38.628  1.00 17.54 ? 17  ILE B N   1 
ATOM   914  C CA  . ILE B 1 3   ? 0.263   5.213   37.979  1.00 16.34 ? 17  ILE B CA  1 
ATOM   915  C C   . ILE B 1 3   ? 1.410   5.291   38.986  1.00 15.69 ? 17  ILE B C   1 
ATOM   916  O O   . ILE B 1 3   ? 2.373   4.520   38.905  1.00 14.90 ? 17  ILE B O   1 
ATOM   917  C CB  . ILE B 1 3   ? 0.432   6.223   36.824  1.00 15.52 ? 17  ILE B CB  1 
ATOM   918  C CG1 . ILE B 1 3   ? -0.515  5.876   35.670  1.00 16.72 ? 17  ILE B CG1 1 
ATOM   919  C CG2 . ILE B 1 3   ? 1.877   6.233   36.319  1.00 15.69 ? 17  ILE B CG2 1 
ATOM   920  C CD1 . ILE B 1 3   ? -0.632  6.969   34.613  1.00 19.56 ? 17  ILE B CD1 1 
ATOM   921  N N   . THR B 1 4   ? 1.342   6.220   39.938  1.00 14.87 ? 18  THR B N   1 
ATOM   922  C CA  . THR B 1 4   ? 2.430   6.391   40.897  1.00 15.24 ? 18  THR B CA  1 
ATOM   923  C C   . THR B 1 4   ? 2.720   5.083   41.631  1.00 14.94 ? 18  THR B C   1 
ATOM   924  O O   . THR B 1 4   ? 1.802   4.409   42.113  1.00 16.71 ? 18  THR B O   1 
ATOM   925  C CB  . THR B 1 4   ? 2.064   7.489   41.906  1.00 14.98 ? 18  THR B CB  1 
ATOM   926  O OG1 . THR B 1 4   ? 2.061   8.763   41.249  1.00 14.98 ? 18  THR B OG1 1 
ATOM   927  C CG2 . THR B 1 4   ? 3.056   7.523   43.067  1.00 16.10 ? 18  THR B CG2 1 
ATOM   928  N N   . GLY B 1 5   ? 3.999   4.705   41.687  1.00 15.17 ? 19  GLY B N   1 
ATOM   929  C CA  . GLY B 1 5   ? 4.408   3.549   42.451  1.00 16.83 ? 19  GLY B CA  1 
ATOM   930  C C   . GLY B 1 5   ? 5.497   2.776   41.742  1.00 16.62 ? 19  GLY B C   1 
ATOM   931  O O   . GLY B 1 5   ? 6.136   3.263   40.805  1.00 17.05 ? 19  GLY B O   1 
ATOM   932  N N   . THR B 1 6   ? 5.690   1.540   42.197  1.00 17.11 ? 20  THR B N   1 
ATOM   933  C CA  . THR B 1 6   ? 6.739   0.657   41.701  1.00 16.34 ? 20  THR B CA  1 
ATOM   934  C C   . THR B 1 6   ? 6.140   -0.383  40.763  1.00 16.62 ? 20  THR B C   1 
ATOM   935  O O   . THR B 1 6   ? 5.142   -1.032  41.099  1.00 18.82 ? 20  THR B O   1 
ATOM   936  C CB  . THR B 1 6   ? 7.428   -0.030  42.881  1.00 17.94 ? 20  THR B CB  1 
ATOM   937  O OG1 . THR B 1 6   ? 8.016   0.964   43.721  1.00 19.69 ? 20  THR B OG1 1 
ATOM   938  C CG2 . THR B 1 6   ? 8.520   -0.958  42.404  1.00 17.89 ? 20  THR B CG2 1 
ATOM   939  N N   . TRP B 1 7   ? 6.760   -0.545  39.596  1.00 15.11 ? 21  TRP B N   1 
ATOM   940  C CA  . TRP B 1 7   ? 6.290   -1.448  38.555  1.00 14.51 ? 21  TRP B CA  1 
ATOM   941  C C   . TRP B 1 7   ? 7.426   -2.367  38.129  1.00 13.72 ? 21  TRP B C   1 
ATOM   942  O O   . TRP B 1 7   ? 8.604   -2.012  38.230  1.00 15.77 ? 21  TRP B O   1 
ATOM   943  C CB  . TRP B 1 7   ? 5.805   -0.661  37.315  1.00 14.35 ? 21  TRP B CB  1 
ATOM   944  C CG  . TRP B 1 7   ? 4.581   0.173   37.557  1.00 14.74 ? 21  TRP B CG  1 
ATOM   945  C CD1 . TRP B 1 7   ? 4.531   1.443   38.070  1.00 15.13 ? 21  TRP B CD1 1 
ATOM   946  C CD2 . TRP B 1 7   ? 3.229   -0.211  37.300  1.00 13.78 ? 21  TRP B CD2 1 
ATOM   947  N NE1 . TRP B 1 7   ? 3.223   1.871   38.144  1.00 14.18 ? 21  TRP B NE1 1 
ATOM   948  C CE2 . TRP B 1 7   ? 2.406   0.875   37.667  1.00 14.28 ? 21  TRP B CE2 1 
ATOM   949  C CE3 . TRP B 1 7   ? 2.632   -1.369  36.779  1.00 13.31 ? 21  TRP B CE3 1 
ATOM   950  C CZ2 . TRP B 1 7   ? 1.019   0.830   37.543  1.00 15.32 ? 21  TRP B CZ2 1 
ATOM   951  C CZ3 . TRP B 1 7   ? 1.246   -1.405  36.649  1.00 14.33 ? 21  TRP B CZ3 1 
ATOM   952  C CH2 . TRP B 1 7   ? 0.464   -0.313  37.028  1.00 15.63 ? 21  TRP B CH2 1 
ATOM   953  N N   . TYR B 1 8   ? 7.064   -3.548  37.630  1.00 15.62 ? 22  TYR B N   1 
ATOM   954  C CA  . TYR B 1 8   ? 8.039   -4.566  37.255  1.00 17.31 ? 22  TYR B CA  1 
ATOM   955  C C   . TYR B 1 8   ? 7.711   -5.075  35.859  1.00 19.18 ? 22  TYR B C   1 
ATOM   956  O O   . TYR B 1 8   ? 6.558   -5.411  35.576  1.00 17.98 ? 22  TYR B O   1 
ATOM   957  C CB  . TYR B 1 8   ? 8.005   -5.735  38.255  1.00 21.92 ? 22  TYR B CB  1 
ATOM   958  C CG  . TYR B 1 8   ? 8.108   -5.305  39.707  1.00 23.94 ? 22  TYR B CG  1 
ATOM   959  C CD1 . TYR B 1 8   ? 9.340   -5.160  40.319  1.00 27.26 ? 22  TYR B CD1 1 
ATOM   960  C CD2 . TYR B 1 8   ? 6.967   -5.031  40.459  1.00 25.29 ? 22  TYR B CD2 1 
ATOM   961  C CE1 . TYR B 1 8   ? 9.438   -4.766  41.642  1.00 27.89 ? 22  TYR B CE1 1 
ATOM   962  C CE2 . TYR B 1 8   ? 7.058   -4.630  41.783  1.00 26.48 ? 22  TYR B CE2 1 
ATOM   963  C CZ  . TYR B 1 8   ? 8.298   -4.505  42.370  1.00 27.74 ? 22  TYR B CZ  1 
ATOM   964  O OH  . TYR B 1 8   ? 8.412   -4.108  43.690  1.00 29.19 ? 22  TYR B OH  1 
ATOM   965  N N   . ASN B 1 9   ? 8.718   -5.129  34.987  1.00 19.95 ? 23  ASN B N   1 
ATOM   966  C CA  . ASN B 1 9   ? 8.505   -5.658  33.648  1.00 21.01 ? 23  ASN B CA  1 
ATOM   967  C C   . ASN B 1 9   ? 8.721   -7.170  33.635  1.00 22.63 ? 23  ASN B C   1 
ATOM   968  O O   . ASN B 1 9   ? 9.000   -7.800  34.660  1.00 23.89 ? 23  ASN B O   1 
ATOM   969  C CB  . ASN B 1 9   ? 9.333   -4.910  32.593  1.00 21.79 ? 23  ASN B CB  1 
ATOM   970  C CG  . ASN B 1 9   ? 10.766  -5.420  32.474  1.00 23.31 ? 23  ASN B CG  1 
ATOM   971  O OD1 . ASN B 1 9   ? 11.262  -6.143  33.333  1.00 23.38 ? 23  ASN B OD1 1 
ATOM   972  N ND2 . ASN B 1 9   ? 11.441  -5.022  31.396  1.00 24.00 ? 23  ASN B ND2 1 
ATOM   973  N N   . GLN B 1 10  ? 8.614   -7.750  32.442  1.00 22.22 ? 24  GLN B N   1 
ATOM   974  C CA  . GLN B 1 10  ? 8.668   -9.191  32.263  1.00 24.69 ? 24  GLN B CA  1 
ATOM   975  C C   . GLN B 1 10  ? 10.082  -9.757  32.353  1.00 25.55 ? 24  GLN B C   1 
ATOM   976  O O   . GLN B 1 10  ? 10.234  -10.979 32.453  1.00 27.77 ? 24  GLN B O   1 
ATOM   977  C CB  . GLN B 1 10  ? 8.010   -9.560  30.926  1.00 26.19 ? 24  GLN B CB  1 
ATOM   978  C CG  . GLN B 1 10  ? 8.845   -9.260  29.665  1.00 27.18 ? 24  GLN B CG  1 
ATOM   979  C CD  . GLN B 1 10  ? 8.913   -7.781  29.258  1.00 24.42 ? 24  GLN B CD  1 
ATOM   980  O OE1 . GLN B 1 10  ? 8.196   -6.922  29.787  1.00 20.30 ? 24  GLN B OE1 1 
ATOM   981  N NE2 . GLN B 1 10  ? 9.779   -7.489  28.286  1.00 26.93 ? 24  GLN B NE2 1 
ATOM   982  N N   . LEU B 1 11  ? 11.112  -8.910  32.337  1.00 24.99 ? 25  LEU B N   1 
ATOM   983  C CA  . LEU B 1 11  ? 12.502  -9.354  32.343  1.00 26.11 ? 25  LEU B CA  1 
ATOM   984  C C   . LEU B 1 11  ? 13.258  -8.944  33.602  1.00 29.26 ? 25  LEU B C   1 
ATOM   985  O O   . LEU B 1 11  ? 14.494  -8.972  33.610  1.00 32.97 ? 25  LEU B O   1 
ATOM   986  C CB  . LEU B 1 11  ? 13.226  -8.836  31.099  1.00 27.02 ? 25  LEU B CB  1 
ATOM   987  C CG  . LEU B 1 11  ? 12.688  -9.337  29.757  1.00 30.17 ? 25  LEU B CG  1 
ATOM   988  C CD1 . LEU B 1 11  ? 13.465  -8.726  28.598  1.00 31.17 ? 25  LEU B CD1 1 
ATOM   989  C CD2 . LEU B 1 11  ? 12.735  -10.860 29.686  1.00 30.06 ? 25  LEU B CD2 1 
ATOM   990  N N   . GLY B 1 12  ? 12.555  -8.550  34.659  1.00 28.42 ? 26  GLY B N   1 
ATOM   991  C CA  . GLY B 1 12  ? 13.197  -8.249  35.921  1.00 28.05 ? 26  GLY B CA  1 
ATOM   992  C C   . GLY B 1 12  ? 13.657  -6.821  36.118  1.00 25.26 ? 26  GLY B C   1 
ATOM   993  O O   . GLY B 1 12  ? 14.366  -6.551  37.094  1.00 27.15 ? 26  GLY B O   1 
ATOM   994  N N   . SER B 1 13  ? 13.295  -5.900  35.229  1.00 21.41 ? 27  SER B N   1 
ATOM   995  C CA  . SER B 1 13  ? 13.585  -4.494  35.466  1.00 20.48 ? 27  SER B CA  1 
ATOM   996  C C   . SER B 1 13  ? 12.545  -3.897  36.408  1.00 19.89 ? 27  SER B C   1 
ATOM   997  O O   . SER B 1 13  ? 11.413  -4.376  36.499  1.00 19.97 ? 27  SER B O   1 
ATOM   998  C CB  . SER B 1 13  ? 13.593  -3.717  34.149  1.00 21.45 ? 27  SER B CB  1 
ATOM   999  O OG  . SER B 1 13  ? 14.716  -4.067  33.349  1.00 26.32 ? 27  SER B OG  1 
ATOM   1000 N N   . THR B 1 14  ? 12.945  -2.837  37.118  1.00 20.04 ? 28  THR B N   1 
ATOM   1001 C CA  . THR B 1 14  ? 12.078  -2.134  38.058  1.00 19.72 ? 28  THR B CA  1 
ATOM   1002 C C   . THR B 1 14  ? 11.931  -0.682  37.628  1.00 17.90 ? 28  THR B C   1 
ATOM   1003 O O   . THR B 1 14  ? 12.929  -0.001  37.366  1.00 18.84 ? 28  THR B O   1 
ATOM   1004 C CB  . THR B 1 14  ? 12.625  -2.188  39.494  1.00 22.30 ? 28  THR B CB  1 
ATOM   1005 O OG1 . THR B 1 14  ? 12.970  -3.535  39.821  1.00 26.74 ? 28  THR B OG1 1 
ATOM   1006 C CG2 . THR B 1 14  ? 11.577  -1.711  40.478  1.00 23.16 ? 28  THR B CG2 1 
ATOM   1007 N N   . PHE B 1 15  ? 10.687  -0.210  37.612  1.00 17.45 ? 29  PHE B N   1 
ATOM   1008 C CA  . PHE B 1 15  ? 10.284  1.091   37.088  1.00 18.95 ? 29  PHE B CA  1 
ATOM   1009 C C   . PHE B 1 15  ? 9.589   1.784   38.255  1.00 20.02 ? 29  PHE B C   1 
ATOM   1010 O O   . PHE B 1 15  ? 8.534   1.330   38.711  1.00 21.04 ? 29  PHE B O   1 
ATOM   1011 C CB  . PHE B 1 15  ? 9.345   0.843   35.893  1.00 18.94 ? 29  PHE B CB  1 
ATOM   1012 C CG  . PHE B 1 15  ? 8.623   2.057   35.371  1.00 17.26 ? 29  PHE B CG  1 
ATOM   1013 C CD1 . PHE B 1 15  ? 9.267   3.272   35.199  1.00 18.68 ? 29  PHE B CD1 1 
ATOM   1014 C CD2 . PHE B 1 15  ? 7.293   1.948   34.974  1.00 17.22 ? 29  PHE B CD2 1 
ATOM   1015 C CE1 . PHE B 1 15  ? 8.575   4.374   34.679  1.00 19.13 ? 29  PHE B CE1 1 
ATOM   1016 C CE2 . PHE B 1 15  ? 6.596   3.028   34.461  1.00 18.39 ? 29  PHE B CE2 1 
ATOM   1017 C CZ  . PHE B 1 15  ? 7.233   4.250   34.311  1.00 18.44 ? 29  PHE B CZ  1 
ATOM   1018 N N   . ILE B 1 16  ? 10.223  2.821   38.797  1.00 17.54 ? 30  ILE B N   1 
ATOM   1019 C CA  . ILE B 1 16  ? 9.723   3.538   39.964  1.00 17.52 ? 30  ILE B CA  1 
ATOM   1020 C C   . ILE B 1 16  ? 9.332   4.932   39.501  1.00 17.41 ? 30  ILE B C   1 
ATOM   1021 O O   . ILE B 1 16  ? 10.192  5.693   39.048  1.00 21.03 ? 30  ILE B O   1 
ATOM   1022 C CB  . ILE B 1 16  ? 10.790  3.612   41.062  1.00 21.52 ? 30  ILE B CB  1 
ATOM   1023 C CG1 . ILE B 1 16  ? 11.091  2.210   41.600  1.00 23.16 ? 30  ILE B CG1 1 
ATOM   1024 C CG2 . ILE B 1 16  ? 10.348  4.573   42.164  1.00 22.04 ? 30  ILE B CG2 1 
ATOM   1025 C CD1 . ILE B 1 16  ? 12.161  2.187   42.677  1.00 25.49 ? 30  ILE B CD1 1 
ATOM   1026 N N   . VAL B 1 17  ? 8.042   5.277   39.606  1.00 14.84 ? 31  VAL B N   1 
ATOM   1027 C CA  . VAL B 1 17  ? 7.526   6.473   38.944  1.00 14.25 ? 31  VAL B CA  1 
ATOM   1028 C C   . VAL B 1 17  ? 6.578   7.230   39.867  1.00 15.14 ? 31  VAL B C   1 
ATOM   1029 O O   . VAL B 1 17  ? 5.842   6.628   40.656  1.00 16.13 ? 31  VAL B O   1 
ATOM   1030 C CB  . VAL B 1 17  ? 6.833   6.119   37.607  1.00 14.82 ? 31  VAL B CB  1 
ATOM   1031 C CG1 . VAL B 1 17  ? 5.524   5.366   37.848  1.00 15.78 ? 31  VAL B CG1 1 
ATOM   1032 C CG2 . VAL B 1 17  ? 6.608   7.375   36.754  1.00 15.66 ? 31  VAL B CG2 1 
ATOM   1033 N N   . THR B 1 18  ? 6.605   8.560   39.766  1.00 15.54 ? 32  THR B N   1 
ATOM   1034 C CA  . THR B 1 18  ? 5.576   9.423   40.332  1.00 16.36 ? 32  THR B CA  1 
ATOM   1035 C C   . THR B 1 18  ? 4.878   10.150  39.193  1.00 15.78 ? 32  THR B C   1 
ATOM   1036 O O   . THR B 1 18  ? 5.539   10.706  38.309  1.00 15.60 ? 32  THR B O   1 
ATOM   1037 C CB  . THR B 1 18  ? 6.167   10.450  41.306  1.00 19.61 ? 32  THR B CB  1 
ATOM   1038 O OG1 . THR B 1 18  ? 6.788   9.772   42.403  1.00 20.83 ? 32  THR B OG1 1 
ATOM   1039 C CG2 . THR B 1 18  ? 5.067   11.355  41.859  1.00 19.51 ? 32  THR B CG2 1 
ATOM   1040 N N   . ALA B 1 19  ? 3.545   10.121  39.204  1.00 14.79 ? 33  ALA B N   1 
ATOM   1041 C CA  . ALA B 1 19  ? 2.728   10.828  38.228  1.00 15.53 ? 33  ALA B CA  1 
ATOM   1042 C C   . ALA B 1 19  ? 2.243   12.122  38.879  1.00 16.44 ? 33  ALA B C   1 
ATOM   1043 O O   . ALA B 1 19  ? 1.374   12.095  39.760  1.00 19.22 ? 33  ALA B O   1 
ATOM   1044 C CB  . ALA B 1 19  ? 1.558   9.950   37.783  1.00 17.08 ? 33  ALA B CB  1 
ATOM   1045 N N   . GLY B 1 20  ? 2.823   13.248  38.461  1.00 14.88 ? 34  GLY B N   1 
ATOM   1046 C CA  . GLY B 1 20  ? 2.500   14.516  39.073  1.00 15.96 ? 34  GLY B CA  1 
ATOM   1047 C C   . GLY B 1 20  ? 1.210   15.119  38.548  1.00 16.23 ? 34  GLY B C   1 
ATOM   1048 O O   . GLY B 1 20  ? 0.706   14.780  37.481  1.00 16.45 ? 34  GLY B O   1 
ATOM   1049 N N   . ALA B 1 21  ? 0.671   16.053  39.330  1.00 18.21 ? 35  ALA B N   1 
ATOM   1050 C CA  . ALA B 1 21  ? -0.587  16.687  38.963  1.00 18.21 ? 35  ALA B CA  1 
ATOM   1051 C C   . ALA B 1 21  ? -0.505  17.430  37.631  1.00 19.23 ? 35  ALA B C   1 
ATOM   1052 O O   . ALA B 1 21  ? -1.535  17.605  36.971  1.00 19.94 ? 35  ALA B O   1 
ATOM   1053 C CB  . ALA B 1 21  ? -1.034  17.638  40.083  1.00 19.42 ? 35  ALA B CB  1 
ATOM   1054 N N   . ASP B 1 22  ? 0.690   17.848  37.209  1.00 18.95 ? 36  ASP B N   1 
ATOM   1055 C CA  . ASP B 1 22  ? 0.867   18.610  35.976  1.00 19.16 ? 36  ASP B CA  1 
ATOM   1056 C C   . ASP B 1 22  ? 1.064   17.728  34.747  1.00 18.55 ? 36  ASP B C   1 
ATOM   1057 O O   . ASP B 1 22  ? 1.376   18.249  33.669  1.00 18.50 ? 36  ASP B O   1 
ATOM   1058 C CB  . ASP B 1 22  ? 2.037   19.591  36.116  1.00 21.52 ? 36  ASP B CB  1 
ATOM   1059 C CG  . ASP B 1 22  ? 3.367   18.893  36.348  1.00 24.18 ? 36  ASP B CG  1 
ATOM   1060 O OD1 . ASP B 1 22  ? 3.365   17.680  36.653  1.00 23.42 ? 36  ASP B OD1 1 
ATOM   1061 O OD2 . ASP B 1 22  ? 4.420   19.561  36.215  1.00 26.40 ? 36  ASP B OD2 1 
ATOM   1062 N N   . GLY B 1 23  ? 0.894   16.418  34.880  1.00 15.17 ? 37  GLY B N   1 
ATOM   1063 C CA  . GLY B 1 23  ? 1.107   15.517  33.767  1.00 15.16 ? 37  GLY B CA  1 
ATOM   1064 C C   . GLY B 1 23  ? 2.508   14.963  33.659  1.00 14.18 ? 37  GLY B C   1 
ATOM   1065 O O   . GLY B 1 23  ? 2.800   14.245  32.694  1.00 13.95 ? 37  GLY B O   1 
ATOM   1066 N N   . ALA B 1 24  ? 3.377   15.244  34.625  1.00 13.49 ? 38  ALA B N   1 
ATOM   1067 C CA  . ALA B 1 24  ? 4.763   14.800  34.547  1.00 15.57 ? 38  ALA B CA  1 
ATOM   1068 C C   . ALA B 1 24  ? 4.912   13.376  35.063  1.00 14.63 ? 38  ALA B C   1 
ATOM   1069 O O   . ALA B 1 24  ? 4.254   12.982  36.030  1.00 15.26 ? 38  ALA B O   1 
ATOM   1070 C CB  . ALA B 1 24  ? 5.657   15.720  35.379  1.00 18.79 ? 38  ALA B CB  1 
ATOM   1071 N N   . LEU B 1 25  ? 5.793   12.609  34.423  1.00 13.56 ? 39  LEU B N   1 
ATOM   1072 C CA  . LEU B 1 25  ? 6.303   11.369  34.994  1.00 14.87 ? 39  LEU B CA  1 
ATOM   1073 C C   . LEU B 1 25  ? 7.758   11.596  35.372  1.00 13.40 ? 39  LEU B C   1 
ATOM   1074 O O   . LEU B 1 25  ? 8.535   12.117  34.564  1.00 14.27 ? 39  LEU B O   1 
ATOM   1075 C CB  . LEU B 1 25  ? 6.214   10.191  34.012  1.00 13.27 ? 39  LEU B CB  1 
ATOM   1076 C CG  . LEU B 1 25  ? 4.833   9.775   33.503  1.00 13.27 ? 39  LEU B CG  1 
ATOM   1077 C CD1 . LEU B 1 25  ? 4.960   8.631   32.485  1.00 14.11 ? 39  LEU B CD1 1 
ATOM   1078 C CD2 . LEU B 1 25  ? 3.913   9.374   34.654  1.00 14.73 ? 39  LEU B CD2 1 
ATOM   1079 N N   . THR B 1 26  ? 8.121   11.213  36.599  1.00 13.66 ? 40  THR B N   1 
ATOM   1080 C CA  . THR B 1 26  ? 9.489   11.327  37.075  1.00 14.18 ? 40  THR B CA  1 
ATOM   1081 C C   . THR B 1 26  ? 9.821   10.071  37.869  1.00 14.36 ? 40  THR B C   1 
ATOM   1082 O O   . THR B 1 26  ? 8.942   9.470   38.488  1.00 18.71 ? 40  THR B O   1 
ATOM   1083 C CB  . THR B 1 26  ? 9.670   12.561  37.987  1.00 16.55 ? 40  THR B CB  1 
ATOM   1084 O OG1 . THR B 1 26  ? 8.793   12.455  39.114  1.00 20.20 ? 40  THR B OG1 1 
ATOM   1085 C CG2 . THR B 1 26  ? 9.356   13.863  37.246  1.00 16.35 ? 40  THR B CG2 1 
ATOM   1086 N N   . GLY B 1 27  ? 11.089  9.686   37.871  1.00 13.07 ? 41  GLY B N   1 
ATOM   1087 C CA  . GLY B 1 27  ? 11.449  8.515   38.665  1.00 13.68 ? 41  GLY B CA  1 
ATOM   1088 C C   . GLY B 1 27  ? 12.778  7.910   38.224  1.00 14.47 ? 41  GLY B C   1 
ATOM   1089 O O   . GLY B 1 27  ? 13.642  8.598   37.686  1.00 13.87 ? 41  GLY B O   1 
ATOM   1090 N N   . THR B 1 28  ? 12.921  6.610   38.496  1.00 14.22 ? 42  THR B N   1 
ATOM   1091 C CA  . THR B 1 28  ? 14.147  5.882   38.208  1.00 16.06 ? 42  THR B CA  1 
ATOM   1092 C C   . THR B 1 28  ? 13.821  4.539   37.567  1.00 16.53 ? 42  THR B C   1 
ATOM   1093 O O   . THR B 1 28  ? 12.770  3.950   37.825  1.00 17.75 ? 42  THR B O   1 
ATOM   1094 C CB  . THR B 1 28  ? 14.977  5.652   39.481  1.00 20.14 ? 42  THR B CB  1 
ATOM   1095 O OG1 . THR B 1 28  ? 14.233  4.849   40.403  1.00 22.93 ? 42  THR B OG1 1 
ATOM   1096 C CG2 . THR B 1 28  ? 15.306  6.966   40.140  1.00 21.38 ? 42  THR B CG2 1 
ATOM   1097 N N   . TYR B 1 29  ? 14.748  4.050   36.742  1.00 16.42 ? 43  TYR B N   1 
ATOM   1098 C CA  . TYR B 1 29  ? 14.618  2.759   36.076  1.00 16.19 ? 43  TYR B CA  1 
ATOM   1099 C C   . TYR B 1 29  ? 15.862  1.942   36.391  1.00 18.13 ? 43  TYR B C   1 
ATOM   1100 O O   . TYR B 1 29  ? 16.979  2.464   36.324  1.00 18.65 ? 43  TYR B O   1 
ATOM   1101 C CB  . TYR B 1 29  ? 14.512  2.954   34.558  1.00 15.47 ? 43  TYR B CB  1 
ATOM   1102 C CG  . TYR B 1 29  ? 13.865  1.789   33.829  1.00 15.52 ? 43  TYR B CG  1 
ATOM   1103 C CD1 . TYR B 1 29  ? 14.620  0.704   33.394  1.00 15.80 ? 43  TYR B CD1 1 
ATOM   1104 C CD2 . TYR B 1 29  ? 12.501  1.778   33.585  1.00 15.21 ? 43  TYR B CD2 1 
ATOM   1105 C CE1 . TYR B 1 29  ? 14.028  -0.362  32.730  1.00 16.30 ? 43  TYR B CE1 1 
ATOM   1106 C CE2 . TYR B 1 29  ? 11.900  0.720   32.932  1.00 16.42 ? 43  TYR B CE2 1 
ATOM   1107 C CZ  . TYR B 1 29  ? 12.668  -0.349  32.505  1.00 17.68 ? 43  TYR B CZ  1 
ATOM   1108 O OH  . TYR B 1 29  ? 12.075  -1.406  31.854  1.00 18.17 ? 43  TYR B OH  1 
ATOM   1109 N N   . GLU B 1 30  ? 15.682  0.667   36.739  1.00 20.68 ? 44  GLU B N   1 
ATOM   1110 C CA  . GLU B 1 30  ? 16.827  -0.177  37.056  1.00 24.78 ? 44  GLU B CA  1 
ATOM   1111 C C   . GLU B 1 30  ? 16.629  -1.593  36.531  1.00 29.28 ? 44  GLU B C   1 
ATOM   1112 O O   . GLU B 1 30  ? 15.504  -2.075  36.399  1.00 28.63 ? 44  GLU B O   1 
ATOM   1113 C CB  . GLU B 1 30  ? 17.117  -0.201  38.562  1.00 28.12 ? 44  GLU B CB  1 
ATOM   1114 C CG  . GLU B 1 30  ? 15.941  -0.606  39.418  1.00 29.32 ? 44  GLU B CG  1 
ATOM   1115 C CD  . GLU B 1 30  ? 16.205  -0.386  40.891  0.43 30.38 ? 44  GLU B CD  1 
ATOM   1116 O OE1 . GLU B 1 30  ? 17.092  -1.070  41.452  0.65 31.25 ? 44  GLU B OE1 1 
ATOM   1117 O OE2 . GLU B 1 30  ? 15.536  0.487   41.483  0.59 31.62 ? 44  GLU B OE2 1 
ATOM   1118 N N   . SER B 1 31  ? 17.737  -2.261  36.233  1.00 35.80 ? 45  SER B N   1 
ATOM   1119 C CA  . SER B 1 31  ? 17.662  -3.676  35.874  1.00 40.87 ? 45  SER B CA  1 
ATOM   1120 C C   . SER B 1 31  ? 18.379  -4.535  36.906  1.00 43.24 ? 45  SER B C   1 
ATOM   1121 O O   . SER B 1 31  ? 18.011  -4.538  38.081  1.00 44.30 ? 45  SER B O   1 
ATOM   1122 C CB  . SER B 1 31  ? 18.226  -3.929  34.476  1.00 44.06 ? 45  SER B CB  1 
ATOM   1123 O OG  . SER B 1 31  ? 17.932  -5.249  34.047  1.00 45.67 ? 45  SER B OG  1 
ATOM   1124 N N   . GLY B 1 34  ? 20.267  -4.358  41.213  1.00 59.88 ? 48  GLY B N   1 
ATOM   1125 C CA  . GLY B 1 34  ? 19.518  -3.538  42.147  1.00 59.56 ? 48  GLY B CA  1 
ATOM   1126 C C   . GLY B 1 34  ? 20.347  -2.451  42.804  1.00 58.86 ? 48  GLY B C   1 
ATOM   1127 O O   . GLY B 1 34  ? 19.863  -1.731  43.678  1.00 58.49 ? 48  GLY B O   1 
ATOM   1128 N N   . ASN B 1 35  ? 21.600  -2.328  42.379  1.00 58.54 ? 49  ASN B N   1 
ATOM   1129 C CA  . ASN B 1 35  ? 22.514  -1.347  42.942  1.00 57.46 ? 49  ASN B CA  1 
ATOM   1130 C C   . ASN B 1 35  ? 22.405  -0.015  42.203  1.00 55.26 ? 49  ASN B C   1 
ATOM   1131 O O   . ASN B 1 35  ? 21.707  0.117   41.194  1.00 54.69 ? 49  ASN B O   1 
ATOM   1132 C CB  . ASN B 1 35  ? 23.949  -1.871  42.899  1.00 59.27 ? 49  ASN B CB  1 
ATOM   1133 C CG  . ASN B 1 35  ? 24.384  -2.268  41.500  1.00 60.82 ? 49  ASN B CG  1 
ATOM   1134 O OD1 . ASN B 1 35  ? 23.558  -2.426  40.601  1.00 61.16 ? 49  ASN B OD1 1 
ATOM   1135 N ND2 . ASN B 1 35  ? 25.688  -2.440  41.312  1.00 61.60 ? 49  ASN B ND2 1 
ATOM   1136 N N   . ALA B 1 36  ? 23.117  0.987   42.727  1.00 52.88 ? 50  ALA B N   1 
ATOM   1137 C CA  . ALA B 1 36  ? 23.102  2.308   42.109  1.00 50.42 ? 50  ALA B CA  1 
ATOM   1138 C C   . ALA B 1 36  ? 23.712  2.283   40.714  1.00 47.00 ? 50  ALA B C   1 
ATOM   1139 O O   . ALA B 1 36  ? 23.297  3.056   39.843  1.00 46.50 ? 50  ALA B O   1 
ATOM   1140 C CB  . ALA B 1 36  ? 23.835  3.313   42.999  1.00 50.10 ? 50  ALA B CB  1 
ATOM   1141 N N   . GLU B 1 37  ? 24.685  1.398   40.480  1.00 43.81 ? 51  GLU B N   1 
ATOM   1142 C CA  . GLU B 1 37  ? 25.323  1.304   39.172  1.00 41.66 ? 51  GLU B CA  1 
ATOM   1143 C C   . GLU B 1 37  ? 24.341  0.938   38.068  1.00 36.05 ? 51  GLU B C   1 
ATOM   1144 O O   . GLU B 1 37  ? 24.614  1.214   36.894  1.00 35.52 ? 51  GLU B O   1 
ATOM   1145 C CB  . GLU B 1 37  ? 26.464  0.283   39.206  1.00 45.81 ? 51  GLU B CB  1 
ATOM   1146 C CG  . GLU B 1 37  ? 27.725  0.759   39.916  1.00 50.08 ? 51  GLU B CG  1 
ATOM   1147 C CD  . GLU B 1 37  ? 27.638  0.663   41.430  1.00 53.22 ? 51  GLU B CD  1 
ATOM   1148 O OE1 . GLU B 1 37  ? 26.538  0.395   41.959  1.00 53.61 ? 51  GLU B OE1 1 
ATOM   1149 O OE2 . GLU B 1 37  ? 28.683  0.851   42.092  1.00 54.37 ? 51  GLU B OE2 1 
ATOM   1150 N N   . SER B 1 38  ? 23.206  0.332   38.410  1.00 30.79 ? 52  SER B N   1 
ATOM   1151 C CA  . SER B 1 38  ? 22.224  -0.085  37.417  1.00 31.26 ? 52  SER B CA  1 
ATOM   1152 C C   . SER B 1 38  ? 20.976  0.791   37.405  1.00 25.82 ? 52  SER B C   1 
ATOM   1153 O O   . SER B 1 38  ? 19.993  0.425   36.756  1.00 25.19 ? 52  SER B O   1 
ATOM   1154 C CB  . SER B 1 38  ? 21.839  -1.552  37.628  1.00 35.36 ? 52  SER B CB  1 
ATOM   1155 O OG  . SER B 1 38  ? 21.186  -1.738  38.875  1.00 39.59 ? 52  SER B OG  1 
ATOM   1156 N N   . ARG B 1 39  ? 20.986  1.935   38.091  1.00 23.72 ? 53  ARG B N   1 
ATOM   1157 C CA  . ARG B 1 39  ? 19.809  2.792   38.203  1.00 22.66 ? 53  ARG B CA  1 
ATOM   1158 C C   . ARG B 1 39  ? 19.990  4.067   37.385  1.00 19.97 ? 53  ARG B C   1 
ATOM   1159 O O   . ARG B 1 39  ? 21.061  4.690   37.416  1.00 19.96 ? 53  ARG B O   1 
ATOM   1160 C CB  . ARG B 1 39  ? 19.534  3.139   39.669  1.00 27.05 ? 53  ARG B CB  1 
ATOM   1161 C CG  . ARG B 1 39  ? 18.167  3.748   39.918  1.00 31.25 ? 53  ARG B CG  1 
ATOM   1162 C CD  . ARG B 1 39  ? 17.652  3.427   41.320  1.00 37.37 ? 53  ARG B CD  1 
ATOM   1163 N NE  . ARG B 1 39  ? 18.629  3.730   42.360  1.00 42.25 ? 53  ARG B NE  1 
ATOM   1164 C CZ  . ARG B 1 39  ? 19.242  2.818   43.103  1.00 44.17 ? 53  ARG B CZ  1 
ATOM   1165 N NH1 . ARG B 1 39  ? 18.994  1.527   42.959  1.00 45.00 ? 53  ARG B NH1 1 
ATOM   1166 N NH2 . ARG B 1 39  ? 20.121  3.214   44.020  1.00 44.78 ? 53  ARG B NH2 1 
ATOM   1167 N N   . TYR B 1 40  ? 18.929  4.456   36.665  1.00 16.23 ? 54  TYR B N   1 
ATOM   1168 C CA  . TYR B 1 40  ? 18.970  5.557   35.705  1.00 15.70 ? 54  TYR B CA  1 
ATOM   1169 C C   . TYR B 1 40  ? 17.745  6.453   35.858  1.00 15.00 ? 54  TYR B C   1 
ATOM   1170 O O   . TYR B 1 40  ? 16.655  5.993   36.205  1.00 15.91 ? 54  TYR B O   1 
ATOM   1171 C CB  . TYR B 1 40  ? 19.019  5.032   34.259  1.00 15.85 ? 54  TYR B CB  1 
ATOM   1172 C CG  . TYR B 1 40  ? 20.220  4.158   33.980  1.00 16.06 ? 54  TYR B CG  1 
ATOM   1173 C CD1 . TYR B 1 40  ? 20.219  2.811   34.329  1.00 17.21 ? 54  TYR B CD1 1 
ATOM   1174 C CD2 . TYR B 1 40  ? 21.362  4.686   33.391  1.00 16.38 ? 54  TYR B CD2 1 
ATOM   1175 C CE1 . TYR B 1 40  ? 21.321  2.013   34.095  1.00 17.40 ? 54  TYR B CE1 1 
ATOM   1176 C CE2 . TYR B 1 40  ? 22.465  3.895   33.144  1.00 16.59 ? 54  TYR B CE2 1 
ATOM   1177 C CZ  . TYR B 1 40  ? 22.440  2.557   33.496  1.00 18.67 ? 54  TYR B CZ  1 
ATOM   1178 O OH  . TYR B 1 40  ? 23.540  1.756   33.262  1.00 21.88 ? 54  TYR B OH  1 
ATOM   1179 N N   . VAL B 1 41  ? 17.930  7.742   35.564  1.00 14.78 ? 55  VAL B N   1 
ATOM   1180 C CA  . VAL B 1 41  ? 16.840  8.712   35.636  1.00 14.34 ? 55  VAL B CA  1 
ATOM   1181 C C   . VAL B 1 41  ? 15.860  8.491   34.493  1.00 13.41 ? 55  VAL B C   1 
ATOM   1182 O O   . VAL B 1 41  ? 16.255  8.186   33.361  1.00 15.22 ? 55  VAL B O   1 
ATOM   1183 C CB  . VAL B 1 41  ? 17.433  10.132  35.578  1.00 15.90 ? 55  VAL B CB  1 
ATOM   1184 C CG1 . VAL B 1 41  ? 16.342  11.194  35.417  1.00 15.10 ? 55  VAL B CG1 1 
ATOM   1185 C CG2 . VAL B 1 41  ? 18.256  10.408  36.810  1.00 16.93 ? 55  VAL B CG2 1 
ATOM   1186 N N   . LEU B 1 42  ? 14.566  8.671   34.771  1.00 14.27 ? 56  LEU B N   1 
ATOM   1187 C CA  . LEU B 1 42  ? 13.569  8.712   33.714  1.00 15.98 ? 56  LEU B CA  1 
ATOM   1188 C C   . LEU B 1 42  ? 12.673  9.930   33.862  1.00 14.57 ? 56  LEU B C   1 
ATOM   1189 O O   . LEU B 1 42  ? 12.411  10.405  34.970  1.00 16.72 ? 56  LEU B O   1 
ATOM   1190 C CB  . LEU B 1 42  ? 12.694  7.464   33.711  1.00 17.26 ? 56  LEU B CB  1 
ATOM   1191 C CG  . LEU B 1 42  ? 11.673  7.317   34.842  1.00 16.73 ? 56  LEU B CG  1 
ATOM   1192 C CD1 . LEU B 1 42  ? 10.265  7.850   34.473  1.00 14.43 ? 56  LEU B CD1 1 
ATOM   1193 C CD2 . LEU B 1 42  ? 11.620  5.859   35.273  1.00 20.85 ? 56  LEU B CD2 1 
ATOM   1194 N N   A THR B 1 43  ? 12.188  10.421  32.726  0.39 14.86 ? 57  THR B N   1 
ATOM   1195 N N   B THR B 1 43  ? 12.213  10.445  32.722  0.61 15.21 ? 57  THR B N   1 
ATOM   1196 C CA  A THR B 1 43  ? 11.191  11.478  32.724  0.39 14.11 ? 57  THR B CA  1 
ATOM   1197 C CA  B THR B 1 43  ? 11.218  11.508  32.689  0.61 13.99 ? 57  THR B CA  1 
ATOM   1198 C C   A THR B 1 43  ? 10.263  11.265  31.540  0.39 13.13 ? 57  THR B C   1 
ATOM   1199 C C   B THR B 1 43  ? 10.257  11.239  31.542  0.61 12.62 ? 57  THR B C   1 
ATOM   1200 O O   A THR B 1 43  ? 10.671  10.743  30.497  0.39 12.95 ? 57  THR B O   1 
ATOM   1201 O O   B THR B 1 43  ? 10.640  10.661  30.519  0.61 12.11 ? 57  THR B O   1 
ATOM   1202 C CB  A THR B 1 43  ? 11.825  12.878  32.691  0.39 16.48 ? 57  THR B CB  1 
ATOM   1203 C CB  B THR B 1 43  ? 11.839  12.915  32.518  0.61 17.22 ? 57  THR B CB  1 
ATOM   1204 O OG1 A THR B 1 43  ? 10.798  13.874  32.693  0.39 15.90 ? 57  THR B OG1 1 
ATOM   1205 O OG1 B THR B 1 43  ? 12.429  13.034  31.219  0.61 20.06 ? 57  THR B OG1 1 
ATOM   1206 C CG2 A THR B 1 43  ? 12.670  13.051  31.458  0.39 17.59 ? 57  THR B CG2 1 
ATOM   1207 C CG2 B THR B 1 43  ? 12.897  13.195  33.593  0.61 17.30 ? 57  THR B CG2 1 
ATOM   1208 N N   . GLY B 1 44  ? 9.010   11.658  31.718  1.00 12.92 ? 58  GLY B N   1 
ATOM   1209 C CA  . GLY B 1 44  ? 8.025   11.494  30.672  1.00 13.13 ? 58  GLY B CA  1 
ATOM   1210 C C   . GLY B 1 44  ? 6.765   12.284  30.962  1.00 12.04 ? 58  GLY B C   1 
ATOM   1211 O O   . GLY B 1 44  ? 6.758   13.197  31.789  1.00 13.14 ? 58  GLY B O   1 
ATOM   1212 N N   . ARG B 1 45  ? 5.687   11.907  30.276  1.00 12.00 ? 59  ARG B N   1 
ATOM   1213 C CA  . ARG B 1 45  ? 4.413   12.609  30.361  1.00 12.75 ? 59  ARG B CA  1 
ATOM   1214 C C   . ARG B 1 45  ? 3.281   11.593  30.302  1.00 12.90 ? 59  ARG B C   1 
ATOM   1215 O O   . ARG B 1 45  ? 3.420   10.517  29.716  1.00 14.35 ? 59  ARG B O   1 
ATOM   1216 C CB  . ARG B 1 45  ? 4.223   13.586  29.186  1.00 13.68 ? 59  ARG B CB  1 
ATOM   1217 C CG  . ARG B 1 45  ? 5.313   14.657  29.038  1.00 13.84 ? 59  ARG B CG  1 
ATOM   1218 C CD  . ARG B 1 45  ? 5.197   15.717  30.124  1.00 14.11 ? 59  ARG B CD  1 
ATOM   1219 N NE  . ARG B 1 45  ? 3.931   16.436  30.027  1.00 13.64 ? 59  ARG B NE  1 
ATOM   1220 C CZ  . ARG B 1 45  ? 3.424   17.206  30.982  1.00 15.90 ? 59  ARG B CZ  1 
ATOM   1221 N NH1 . ARG B 1 45  ? 4.078   17.426  32.115  1.00 16.16 ? 59  ARG B NH1 1 
ATOM   1222 N NH2 . ARG B 1 45  ? 2.231   17.769  30.797  1.00 17.66 ? 59  ARG B NH2 1 
ATOM   1223 N N   . TYR B 1 46  ? 2.143   11.952  30.892  1.00 12.67 ? 60  TYR B N   1 
ATOM   1224 C CA  . TYR B 1 46  ? 0.954   11.116  30.802  1.00 12.65 ? 60  TYR B CA  1 
ATOM   1225 C C   . TYR B 1 46  ? -0.275  12.009  30.709  1.00 13.24 ? 60  TYR B C   1 
ATOM   1226 O O   . TYR B 1 46  ? -0.234  13.195  31.052  1.00 14.35 ? 60  TYR B O   1 
ATOM   1227 C CB  . TYR B 1 46  ? 0.844   10.158  32.004  1.00 13.26 ? 60  TYR B CB  1 
ATOM   1228 C CG  . TYR B 1 46  ? 0.416   10.857  33.279  1.00 12.37 ? 60  TYR B CG  1 
ATOM   1229 C CD1 . TYR B 1 46  ? 1.300   11.672  33.990  1.00 13.17 ? 60  TYR B CD1 1 
ATOM   1230 C CD2 . TYR B 1 46  ? -0.871  10.702  33.767  1.00 14.11 ? 60  TYR B CD2 1 
ATOM   1231 C CE1 . TYR B 1 46  ? 0.891   12.321  35.162  1.00 14.07 ? 60  TYR B CE1 1 
ATOM   1232 C CE2 . TYR B 1 46  ? -1.285  11.341  34.920  1.00 13.66 ? 60  TYR B CE2 1 
ATOM   1233 C CZ  . TYR B 1 46  ? -0.411  12.146  35.616  1.00 14.41 ? 60  TYR B CZ  1 
ATOM   1234 O OH  . TYR B 1 46  ? -0.861  12.767  36.766  1.00 15.86 ? 60  TYR B OH  1 
ATOM   1235 N N   . ASP B 1 47  ? -1.370  11.425  30.216  1.00 13.36 ? 61  ASP B N   1 
ATOM   1236 C CA  . ASP B 1 47  ? -2.662  12.110  30.138  1.00 14.01 ? 61  ASP B CA  1 
ATOM   1237 C C   . ASP B 1 47  ? -3.249  12.231  31.544  1.00 13.09 ? 61  ASP B C   1 
ATOM   1238 O O   . ASP B 1 47  ? -3.655  11.229  32.142  1.00 13.56 ? 61  ASP B O   1 
ATOM   1239 C CB  . ASP B 1 47  ? -3.586  11.305  29.223  1.00 14.99 ? 61  ASP B CB  1 
ATOM   1240 C CG  . ASP B 1 47  ? -4.971  11.934  29.054  1.00 16.74 ? 61  ASP B CG  1 
ATOM   1241 O OD1 . ASP B 1 47  ? -5.223  13.028  29.607  1.00 16.48 ? 61  ASP B OD1 1 
ATOM   1242 O OD2 . ASP B 1 47  ? -5.810  11.331  28.341  1.00 16.21 ? 61  ASP B OD2 1 
ATOM   1243 N N   . SER B 1 48  ? -3.298  13.456  32.077  1.00 13.67 ? 62  SER B N   1 
ATOM   1244 C CA  . SER B 1 48  ? -3.791  13.667  33.434  1.00 14.04 ? 62  SER B CA  1 
ATOM   1245 C C   . SER B 1 48  ? -5.309  13.765  33.508  1.00 15.85 ? 62  SER B C   1 
ATOM   1246 O O   . SER B 1 48  ? -5.852  13.905  34.610  1.00 17.07 ? 62  SER B O   1 
ATOM   1247 C CB  . SER B 1 48  ? -3.152  14.918  34.046  1.00 15.81 ? 62  SER B CB  1 
ATOM   1248 O OG  . SER B 1 48  ? -3.425  16.051  33.236  1.00 17.44 ? 62  SER B OG  1 
ATOM   1249 N N   . ALA B 1 49  ? -6.005  13.697  32.374  1.00 15.98 ? 63  ALA B N   1 
ATOM   1250 C CA  . ALA B 1 49  ? -7.469  13.707  32.348  1.00 15.43 ? 63  ALA B CA  1 
ATOM   1251 C C   . ALA B 1 49  ? -7.965  12.646  31.371  1.00 16.77 ? 63  ALA B C   1 
ATOM   1252 O O   . ALA B 1 49  ? -8.609  12.958  30.368  1.00 17.99 ? 63  ALA B O   1 
ATOM   1253 C CB  . ALA B 1 49  ? -7.982  15.095  31.964  1.00 17.39 ? 63  ALA B CB  1 
ATOM   1254 N N   . PRO B 1 50  ? -7.681  11.373  31.638  1.00 15.70 ? 64  PRO B N   1 
ATOM   1255 C CA  . PRO B 1 50  ? -8.106  10.320  30.709  1.00 16.70 ? 64  PRO B CA  1 
ATOM   1256 C C   . PRO B 1 50  ? -9.621  10.172  30.675  1.00 18.53 ? 64  PRO B C   1 
ATOM   1257 O O   . PRO B 1 50  ? -10.349 10.669  31.536  1.00 20.55 ? 64  PRO B O   1 
ATOM   1258 C CB  . PRO B 1 50  ? -7.450  9.058   31.285  1.00 17.03 ? 64  PRO B CB  1 
ATOM   1259 C CG  . PRO B 1 50  ? -7.368  9.340   32.758  1.00 15.36 ? 64  PRO B CG  1 
ATOM   1260 C CD  . PRO B 1 50  ? -7.028  10.812  32.839  1.00 16.68 ? 64  PRO B CD  1 
ATOM   1261 N N   . ALA B 1 51  ? -10.092 9.481   29.642  1.00 18.52 ? 65  ALA B N   1 
ATOM   1262 C CA  . ALA B 1 51  ? -11.508 9.164   29.546  1.00 18.44 ? 65  ALA B CA  1 
ATOM   1263 C C   . ALA B 1 51  ? -11.904 8.201   30.661  1.00 20.14 ? 65  ALA B C   1 
ATOM   1264 O O   . ALA B 1 51  ? -11.078 7.452   31.186  1.00 21.30 ? 65  ALA B O   1 
ATOM   1265 C CB  . ALA B 1 51  ? -11.817 8.539   28.187  1.00 20.76 ? 65  ALA B CB  1 
ATOM   1266 N N   . THR B 1 52  ? -13.182 8.245   31.043  1.00 22.36 ? 66  THR B N   1 
ATOM   1267 C CA  . THR B 1 52  ? -13.707 7.281   32.005  1.00 24.80 ? 66  THR B CA  1 
ATOM   1268 C C   . THR B 1 52  ? -14.728 6.389   31.310  1.00 23.95 ? 66  THR B C   1 
ATOM   1269 O O   . THR B 1 52  ? -15.897 6.314   31.710  1.00 24.13 ? 66  THR B O   1 
ATOM   1270 C CB  . THR B 1 52  ? -14.308 7.977   33.233  1.00 28.53 ? 66  THR B CB  1 
ATOM   1271 O OG1 . THR B 1 52  ? -13.372 8.933   33.743  1.00 32.50 ? 66  THR B OG1 1 
ATOM   1272 C CG2 . THR B 1 52  ? -14.591 6.961   34.333  1.00 29.80 ? 66  THR B CG2 1 
ATOM   1273 N N   . ASP B 1 53  ? -14.289 5.724   30.243  1.00 21.96 ? 67  ASP B N   1 
ATOM   1274 C CA  . ASP B 1 53  ? -15.168 4.882   29.442  1.00 20.19 ? 67  ASP B CA  1 
ATOM   1275 C C   . ASP B 1 53  ? -14.580 3.492   29.239  1.00 21.05 ? 67  ASP B C   1 
ATOM   1276 O O   . ASP B 1 53  ? -15.014 2.769   28.338  1.00 23.88 ? 67  ASP B O   1 
ATOM   1277 C CB  . ASP B 1 53  ? -15.475 5.539   28.093  1.00 19.92 ? 67  ASP B CB  1 
ATOM   1278 C CG  . ASP B 1 53  ? -14.227 5.698   27.225  1.00 18.95 ? 67  ASP B CG  1 
ATOM   1279 O OD1 . ASP B 1 53  ? -13.111 5.375   27.695  1.00 18.60 ? 67  ASP B OD1 1 
ATOM   1280 O OD2 . ASP B 1 53  ? -14.356 6.153   26.074  1.00 19.24 ? 67  ASP B OD2 1 
ATOM   1281 N N   . GLY B 1 54  ? -13.582 3.117   30.041  1.00 20.08 ? 68  GLY B N   1 
ATOM   1282 C CA  . GLY B 1 54  ? -12.891 1.858   29.885  1.00 20.38 ? 68  GLY B CA  1 
ATOM   1283 C C   . GLY B 1 54  ? -11.592 1.943   29.107  1.00 19.96 ? 68  GLY B C   1 
ATOM   1284 O O   . GLY B 1 54  ? -10.868 0.944   29.037  1.00 22.73 ? 68  GLY B O   1 
ATOM   1285 N N   . SER B 1 55  ? -11.281 3.093   28.514  1.00 18.37 ? 69  SER B N   1 
ATOM   1286 C CA  . SER B 1 55  ? -10.038 3.254   27.766  1.00 16.53 ? 69  SER B CA  1 
ATOM   1287 C C   . SER B 1 55  ? -8.861  3.429   28.717  1.00 15.64 ? 69  SER B C   1 
ATOM   1288 O O   . SER B 1 55  ? -9.009  3.921   29.836  1.00 15.99 ? 69  SER B O   1 
ATOM   1289 C CB  . SER B 1 55  ? -10.106 4.502   26.886  1.00 18.52 ? 69  SER B CB  1 
ATOM   1290 O OG  . SER B 1 55  ? -11.185 4.429   25.986  1.00 21.77 ? 69  SER B OG  1 
ATOM   1291 N N   . GLY B 1 56  ? -7.676  3.046   28.251  1.00 15.04 ? 70  GLY B N   1 
ATOM   1292 C CA  . GLY B 1 56  ? -6.467  3.241   29.025  1.00 14.02 ? 70  GLY B CA  1 
ATOM   1293 C C   . GLY B 1 56  ? -6.013  4.696   29.060  1.00 14.28 ? 70  GLY B C   1 
ATOM   1294 O O   . GLY B 1 56  ? -6.566  5.581   28.405  1.00 14.85 ? 70  GLY B O   1 
ATOM   1295 N N   . THR B 1 57  ? -4.963  4.933   29.852  1.00 13.16 ? 71  THR B N   1 
ATOM   1296 C CA  . THR B 1 57  ? -4.366  6.259   30.015  1.00 12.78 ? 71  THR B CA  1 
ATOM   1297 C C   . THR B 1 57  ? -3.054  6.314   29.234  1.00 11.90 ? 71  THR B C   1 
ATOM   1298 O O   . THR B 1 57  ? -2.098  5.611   29.573  1.00 12.67 ? 71  THR B O   1 
ATOM   1299 C CB  . THR B 1 57  ? -4.096  6.542   31.494  1.00 12.28 ? 71  THR B CB  1 
ATOM   1300 O OG1 . THR B 1 57  ? -5.327  6.503   32.232  1.00 14.18 ? 71  THR B OG1 1 
ATOM   1301 C CG2 . THR B 1 57  ? -3.488  7.915   31.658  1.00 13.46 ? 71  THR B CG2 1 
ATOM   1302 N N   . ALA B 1 58  ? -3.000  7.153   28.201  1.00 12.99 ? 72  ALA B N   1 
ATOM   1303 C CA  . ALA B 1 58  ? -1.808  7.220   27.361  1.00 11.33 ? 72  ALA B CA  1 
ATOM   1304 C C   . ALA B 1 58  ? -0.637  7.857   28.103  1.00 11.90 ? 72  ALA B C   1 
ATOM   1305 O O   . ALA B 1 58  ? -0.816  8.789   28.896  1.00 12.89 ? 72  ALA B O   1 
ATOM   1306 C CB  . ALA B 1 58  ? -2.110  8.028   26.100  1.00 14.11 ? 72  ALA B CB  1 
ATOM   1307 N N   . LEU B 1 59  ? 0.575   7.368   27.825  1.00 11.12 ? 73  LEU B N   1 
ATOM   1308 C CA  . LEU B 1 59  ? 1.761   7.856   28.520  1.00 11.35 ? 73  LEU B CA  1 
ATOM   1309 C C   . LEU B 1 59  ? 3.012   7.496   27.723  1.00 12.45 ? 73  LEU B C   1 
ATOM   1310 O O   . LEU B 1 59  ? 2.976   6.672   26.803  1.00 14.54 ? 73  LEU B O   1 
ATOM   1311 C CB  . LEU B 1 59  ? 1.845   7.283   29.942  1.00 14.01 ? 73  LEU B CB  1 
ATOM   1312 C CG  . LEU B 1 59  ? 1.726   5.768   30.187  1.00 18.35 ? 73  LEU B CG  1 
ATOM   1313 C CD1 . LEU B 1 59  ? 2.894   4.954   29.650  1.00 21.37 ? 73  LEU B CD1 1 
ATOM   1314 C CD2 . LEU B 1 59  ? 1.578   5.504   31.680  1.00 20.20 ? 73  LEU B CD2 1 
ATOM   1315 N N   . GLY B 1 60  ? 4.134   8.095   28.120  1.00 12.05 ? 74  GLY B N   1 
ATOM   1316 C CA  . GLY B 1 60  ? 5.429   7.723   27.576  1.00 12.72 ? 74  GLY B CA  1 
ATOM   1317 C C   . GLY B 1 60  ? 6.531   8.244   28.466  1.00 11.62 ? 74  GLY B C   1 
ATOM   1318 O O   . GLY B 1 60  ? 6.331   9.182   29.241  1.00 13.02 ? 74  GLY B O   1 
ATOM   1319 N N   . TRP B 1 61  ? 7.706   7.612   28.375  1.00 11.68 ? 75  TRP B N   1 
ATOM   1320 C CA  . TRP B 1 61  ? 8.852   8.121   29.117  1.00 10.49 ? 75  TRP B CA  1 
ATOM   1321 C C   . TRP B 1 61  ? 10.139  7.718   28.412  1.00 11.66 ? 75  TRP B C   1 
ATOM   1322 O O   . TRP B 1 61  ? 10.146  6.852   27.530  1.00 11.46 ? 75  TRP B O   1 
ATOM   1323 C CB  . TRP B 1 61  ? 8.841   7.671   30.591  1.00 12.70 ? 75  TRP B CB  1 
ATOM   1324 C CG  . TRP B 1 61  ? 9.115   6.198   30.801  1.00 12.55 ? 75  TRP B CG  1 
ATOM   1325 C CD1 . TRP B 1 61  ? 10.327  5.613   31.045  1.00 12.62 ? 75  TRP B CD1 1 
ATOM   1326 C CD2 . TRP B 1 61  ? 8.144   5.139   30.836  1.00 11.43 ? 75  TRP B CD2 1 
ATOM   1327 N NE1 . TRP B 1 61  ? 10.173  4.251   31.210  1.00 12.08 ? 75  TRP B NE1 1 
ATOM   1328 C CE2 . TRP B 1 61  ? 8.843   3.937   31.085  1.00 12.16 ? 75  TRP B CE2 1 
ATOM   1329 C CE3 . TRP B 1 61  ? 6.751   5.091   30.680  1.00 12.30 ? 75  TRP B CE3 1 
ATOM   1330 C CZ2 . TRP B 1 61  ? 8.201   2.701   31.169  1.00 13.92 ? 75  TRP B CZ2 1 
ATOM   1331 C CZ3 . TRP B 1 61  ? 6.115   3.856   30.765  1.00 13.20 ? 75  TRP B CZ3 1 
ATOM   1332 C CH2 . TRP B 1 61  ? 6.842   2.682   31.009  1.00 13.59 ? 75  TRP B CH2 1 
ATOM   1333 N N   . THR B 1 62  ? 11.239  8.361   28.828  1.00 11.18 ? 76  THR B N   1 
ATOM   1334 C CA  . THR B 1 62  ? 12.562  8.148   28.248  1.00 10.65 ? 76  THR B CA  1 
ATOM   1335 C C   . THR B 1 62  ? 13.577  7.855   29.347  1.00 11.64 ? 76  THR B C   1 
ATOM   1336 O O   . THR B 1 62  ? 13.533  8.462   30.421  1.00 13.40 ? 76  THR B O   1 
ATOM   1337 C CB  . THR B 1 62  ? 13.028  9.410   27.500  1.00 12.06 ? 76  THR B CB  1 
ATOM   1338 O OG1 . THR B 1 62  ? 12.083  9.741   26.481  1.00 12.45 ? 76  THR B OG1 1 
ATOM   1339 C CG2 . THR B 1 62  ? 14.403  9.190   26.854  1.00 12.83 ? 76  THR B CG2 1 
ATOM   1340 N N   . VAL B 1 63  ? 14.495  6.928   29.070  1.00 11.03 ? 77  VAL B N   1 
ATOM   1341 C CA  . VAL B 1 63  ? 15.718  6.753   29.849  1.00 13.37 ? 77  VAL B CA  1 
ATOM   1342 C C   . VAL B 1 63  ? 16.903  6.908   28.902  1.00 13.59 ? 77  VAL B C   1 
ATOM   1343 O O   . VAL B 1 63  ? 16.993  6.196   27.894  1.00 14.62 ? 77  VAL B O   1 
ATOM   1344 C CB  . VAL B 1 63  ? 15.767  5.375   30.528  1.00 13.95 ? 77  VAL B CB  1 
ATOM   1345 C CG1 . VAL B 1 63  ? 17.164  5.108   31.116  1.00 15.18 ? 77  VAL B CG1 1 
ATOM   1346 C CG2 . VAL B 1 63  ? 14.685  5.251   31.603  1.00 14.40 ? 77  VAL B CG2 1 
ATOM   1347 N N   . ALA B 1 64  ? 17.815  7.823   29.225  1.00 14.15 ? 78  ALA B N   1 
ATOM   1348 C CA  . ALA B 1 64  ? 19.129  7.831   28.590  1.00 14.09 ? 78  ALA B CA  1 
ATOM   1349 C C   . ALA B 1 64  ? 20.067  6.984   29.447  1.00 14.64 ? 78  ALA B C   1 
ATOM   1350 O O   . ALA B 1 64  ? 20.121  7.155   30.670  1.00 15.94 ? 78  ALA B O   1 
ATOM   1351 C CB  . ALA B 1 64  ? 19.661  9.260   28.443  1.00 14.93 ? 78  ALA B CB  1 
ATOM   1352 N N   . TRP B 1 65  ? 20.785  6.057   28.815  1.00 14.61 ? 79  TRP B N   1 
ATOM   1353 C CA  . TRP B 1 65  ? 21.511  5.023   29.557  1.00 14.82 ? 79  TRP B CA  1 
ATOM   1354 C C   . TRP B 1 65  ? 22.884  5.494   30.024  1.00 16.08 ? 79  TRP B C   1 
ATOM   1355 O O   . TRP B 1 65  ? 23.908  4.846   29.804  1.00 15.26 ? 79  TRP B O   1 
ATOM   1356 C CB  . TRP B 1 65  ? 21.582  3.730   28.749  1.00 14.04 ? 79  TRP B CB  1 
ATOM   1357 C CG  . TRP B 1 65  ? 20.218  3.174   28.480  1.00 13.43 ? 79  TRP B CG  1 
ATOM   1358 C CD1 . TRP B 1 65  ? 19.537  3.201   27.299  1.00 13.31 ? 79  TRP B CD1 1 
ATOM   1359 C CD2 . TRP B 1 65  ? 19.351  2.542   29.433  1.00 13.46 ? 79  TRP B CD2 1 
ATOM   1360 N NE1 . TRP B 1 65  ? 18.298  2.611   27.454  1.00 13.82 ? 79  TRP B NE1 1 
ATOM   1361 C CE2 . TRP B 1 65  ? 18.162  2.199   28.756  1.00 13.06 ? 79  TRP B CE2 1 
ATOM   1362 C CE3 . TRP B 1 65  ? 19.470  2.227   30.790  1.00 15.54 ? 79  TRP B CE3 1 
ATOM   1363 C CZ2 . TRP B 1 65  ? 17.096  1.560   29.394  1.00 15.51 ? 79  TRP B CZ2 1 
ATOM   1364 C CZ3 . TRP B 1 65  ? 18.413  1.589   31.422  1.00 17.51 ? 79  TRP B CZ3 1 
ATOM   1365 C CH2 . TRP B 1 65  ? 17.243  1.258   30.723  1.00 15.90 ? 79  TRP B CH2 1 
ATOM   1366 N N   . LYS B 1 66  ? 22.892  6.657   30.673  1.00 17.00 ? 80  LYS B N   1 
ATOM   1367 C CA  . LYS B 1 66  ? 24.062  7.213   31.338  1.00 16.83 ? 80  LYS B CA  1 
ATOM   1368 C C   . LYS B 1 66  ? 23.708  7.442   32.799  1.00 16.52 ? 80  LYS B C   1 
ATOM   1369 O O   . LYS B 1 66  ? 22.650  8.006   33.106  1.00 16.34 ? 80  LYS B O   1 
ATOM   1370 C CB  . LYS B 1 66  ? 24.474  8.557   30.723  1.00 18.24 ? 80  LYS B CB  1 
ATOM   1371 C CG  . LYS B 1 66  ? 25.599  9.258   31.499  1.00 19.68 ? 80  LYS B CG  1 
ATOM   1372 C CD  . LYS B 1 66  ? 25.880  10.670  30.989  1.00 24.27 ? 80  LYS B CD  1 
ATOM   1373 C CE  . LYS B 1 66  ? 26.963  11.369  31.821  1.00 28.37 ? 80  LYS B CE  1 
ATOM   1374 N NZ  . LYS B 1 66  ? 26.503  11.719  33.203  1.00 31.19 ? 80  LYS B NZ  1 
ATOM   1375 N N   . ASN B 1 67  ? 24.585  7.001   33.696  1.00 18.29 ? 81  ASN B N   1 
ATOM   1376 C CA  . ASN B 1 67  ? 24.523  7.443   35.082  1.00 19.17 ? 81  ASN B CA  1 
ATOM   1377 C C   . ASN B 1 67  ? 25.929  7.808   35.547  1.00 22.21 ? 81  ASN B C   1 
ATOM   1378 O O   . ASN B 1 67  ? 26.829  7.991   34.718  1.00 23.27 ? 81  ASN B O   1 
ATOM   1379 C CB  . ASN B 1 67  ? 23.821  6.412   35.968  1.00 21.12 ? 81  ASN B CB  1 
ATOM   1380 C CG  . ASN B 1 67  ? 24.532  5.072   35.996  1.00 22.61 ? 81  ASN B CG  1 
ATOM   1381 O OD1 . ASN B 1 67  ? 25.722  4.971   35.698  1.00 22.91 ? 81  ASN B OD1 1 
ATOM   1382 N ND2 . ASN B 1 67  ? 23.798  4.031   36.372  1.00 21.85 ? 81  ASN B ND2 1 
ATOM   1383 N N   . ASN B 1 68  ? 26.145  7.910   36.855  1.00 24.52 ? 82  ASN B N   1 
ATOM   1384 C CA  . ASN B 1 68  ? 27.469  8.318   37.318  1.00 26.49 ? 82  ASN B CA  1 
ATOM   1385 C C   . ASN B 1 68  ? 28.518  7.221   37.188  1.00 27.73 ? 82  ASN B C   1 
ATOM   1386 O O   . ASN B 1 68  ? 29.694  7.477   37.485  1.00 31.24 ? 82  ASN B O   1 
ATOM   1387 C CB  . ASN B 1 68  ? 27.405  8.815   38.765  1.00 29.86 ? 82  ASN B CB  1 
ATOM   1388 C CG  . ASN B 1 68  ? 26.618  10.101  38.901  1.00 37.13 ? 82  ASN B CG  1 
ATOM   1389 O OD1 . ASN B 1 68  ? 26.576  10.916  37.979  1.00 40.14 ? 82  ASN B OD1 1 
ATOM   1390 N ND2 . ASN B 1 68  ? 25.989  10.292  40.056  1.00 39.89 ? 82  ASN B ND2 1 
ATOM   1391 N N   . TYR B 1 69  ? 28.134  6.027   36.746  1.00 26.69 ? 83  TYR B N   1 
ATOM   1392 C CA  . TYR B 1 69  ? 29.020  4.874   36.712  1.00 28.51 ? 83  TYR B CA  1 
ATOM   1393 C C   . TYR B 1 69  ? 29.248  4.313   35.316  1.00 26.47 ? 83  TYR B C   1 
ATOM   1394 O O   . TYR B 1 69  ? 30.334  3.783   35.050  1.00 28.25 ? 83  TYR B O   1 
ATOM   1395 C CB  . TYR B 1 69  ? 28.456  3.761   37.609  1.00 30.15 ? 83  TYR B CB  1 
ATOM   1396 C CG  . TYR B 1 69  ? 28.092  4.244   38.996  1.00 32.22 ? 83  TYR B CG  1 
ATOM   1397 C CD1 . TYR B 1 69  ? 29.070  4.433   39.965  1.00 34.83 ? 83  TYR B CD1 1 
ATOM   1398 C CD2 . TYR B 1 69  ? 26.776  4.524   39.334  1.00 33.36 ? 83  TYR B CD2 1 
ATOM   1399 C CE1 . TYR B 1 69  ? 28.748  4.880   41.228  1.00 35.21 ? 83  TYR B CE1 1 
ATOM   1400 C CE2 . TYR B 1 69  ? 26.440  4.970   40.603  1.00 34.72 ? 83  TYR B CE2 1 
ATOM   1401 C CZ  . TYR B 1 69  ? 27.434  5.149   41.546  1.00 36.19 ? 83  TYR B CZ  1 
ATOM   1402 O OH  . TYR B 1 69  ? 27.118  5.594   42.811  1.00 37.54 ? 83  TYR B OH  1 
ATOM   1403 N N   . ARG B 1 70  ? 28.266  4.421   34.421  1.00 24.53 ? 84  ARG B N   1 
ATOM   1404 C CA  . ARG B 1 70  ? 28.308  3.773   33.118  1.00 25.29 ? 84  ARG B CA  1 
ATOM   1405 C C   . ARG B 1 70  ? 27.648  4.675   32.083  1.00 19.63 ? 84  ARG B C   1 
ATOM   1406 O O   . ARG B 1 70  ? 26.890  5.589   32.417  1.00 20.09 ? 84  ARG B O   1 
ATOM   1407 C CB  . ARG B 1 70  ? 27.543  2.440   33.125  1.00 31.49 ? 84  ARG B CB  1 
ATOM   1408 C CG  . ARG B 1 70  ? 27.950  1.458   34.207  1.00 36.06 ? 84  ARG B CG  1 
ATOM   1409 C CD  . ARG B 1 70  ? 27.383  0.076   33.924  1.00 39.42 ? 84  ARG B CD  1 
ATOM   1410 N NE  . ARG B 1 70  ? 27.836  -0.907  34.900  1.00 42.47 ? 84  ARG B NE  1 
ATOM   1411 C CZ  . ARG B 1 70  ? 27.099  -1.360  35.905  1.00 44.65 ? 84  ARG B CZ  1 
ATOM   1412 N NH1 . ARG B 1 70  ? 25.850  -0.963  36.079  1.00 45.99 ? 84  ARG B NH1 1 
ATOM   1413 N NH2 . ARG B 1 70  ? 27.628  -2.235  36.755  1.00 44.72 ? 84  ARG B NH2 1 
ATOM   1414 N N   . ASN B 1 71  ? 27.922  4.391   30.809  1.00 16.97 ? 85  ASN B N   1 
ATOM   1415 C CA  . ASN B 1 71  ? 27.262  5.126   29.729  1.00 15.86 ? 85  ASN B CA  1 
ATOM   1416 C C   . ASN B 1 71  ? 27.265  4.270   28.471  1.00 16.35 ? 85  ASN B C   1 
ATOM   1417 O O   . ASN B 1 71  ? 28.323  4.050   27.869  1.00 17.42 ? 85  ASN B O   1 
ATOM   1418 C CB  . ASN B 1 71  ? 27.950  6.465   29.490  1.00 15.74 ? 85  ASN B CB  1 
ATOM   1419 C CG  . ASN B 1 71  ? 27.165  7.368   28.560  1.00 13.40 ? 85  ASN B CG  1 
ATOM   1420 O OD1 . ASN B 1 71  ? 26.158  6.963   27.980  1.00 16.01 ? 85  ASN B OD1 1 
ATOM   1421 N ND2 . ASN B 1 71  ? 27.619  8.613   28.425  1.00 14.72 ? 85  ASN B ND2 1 
ATOM   1422 N N   . ALA B 1 72  ? 26.077  3.836   28.053  1.00 15.90 ? 86  ALA B N   1 
ATOM   1423 C CA  . ALA B 1 72  ? 25.904  3.017   26.863  1.00 15.57 ? 86  ALA B CA  1 
ATOM   1424 C C   . ALA B 1 72  ? 25.741  3.844   25.594  1.00 16.12 ? 86  ALA B C   1 
ATOM   1425 O O   . ALA B 1 72  ? 25.636  3.265   24.505  1.00 17.08 ? 86  ALA B O   1 
ATOM   1426 C CB  . ALA B 1 72  ? 24.694  2.092   27.041  1.00 15.93 ? 86  ALA B CB  1 
ATOM   1427 N N   . HIS B 1 73  ? 25.738  5.175   25.702  1.00 16.00 ? 87  HIS B N   1 
ATOM   1428 C CA  . HIS B 1 73  ? 25.523  6.069   24.562  1.00 15.18 ? 87  HIS B CA  1 
ATOM   1429 C C   . HIS B 1 73  ? 24.278  5.650   23.779  1.00 15.84 ? 87  HIS B C   1 
ATOM   1430 O O   . HIS B 1 73  ? 24.318  5.353   22.583  1.00 16.91 ? 87  HIS B O   1 
ATOM   1431 C CB  . HIS B 1 73  ? 26.769  6.160   23.665  1.00 15.79 ? 87  HIS B CB  1 
ATOM   1432 C CG  . HIS B 1 73  ? 28.015  6.572   24.395  1.00 16.89 ? 87  HIS B CG  1 
ATOM   1433 N ND1 . HIS B 1 73  ? 28.074  7.682   25.212  1.00 17.02 ? 87  HIS B ND1 1 
ATOM   1434 C CD2 . HIS B 1 73  ? 29.253  6.022   24.421  1.00 17.38 ? 87  HIS B CD2 1 
ATOM   1435 C CE1 . HIS B 1 73  ? 29.294  7.797   25.710  1.00 17.25 ? 87  HIS B CE1 1 
ATOM   1436 N NE2 . HIS B 1 73  ? 30.029  6.801   25.246  1.00 18.16 ? 87  HIS B NE2 1 
ATOM   1437 N N   . SER B 1 74  ? 23.156  5.613   24.491  1.00 15.13 ? 88  SER B N   1 
ATOM   1438 C CA  . SER B 1 74  ? 21.902  5.152   23.907  1.00 15.03 ? 88  SER B CA  1 
ATOM   1439 C C   . SER B 1 74  ? 20.769  5.626   24.801  1.00 14.20 ? 88  SER B C   1 
ATOM   1440 O O   . SER B 1 74  ? 20.994  6.059   25.934  1.00 14.29 ? 88  SER B O   1 
ATOM   1441 C CB  . SER B 1 74  ? 21.885  3.623   23.767  1.00 15.82 ? 88  SER B CB  1 
ATOM   1442 O OG  . SER B 1 74  ? 21.949  3.011   25.048  1.00 15.92 ? 88  SER B OG  1 
ATOM   1443 N N   . ALA B 1 75  ? 19.544  5.542   24.279  1.00 13.57 ? 89  ALA B N   1 
ATOM   1444 C CA  . ALA B 1 75  ? 18.363  5.955   25.028  1.00 13.84 ? 89  ALA B CA  1 
ATOM   1445 C C   . ALA B 1 75  ? 17.154  5.154   24.562  1.00 13.32 ? 89  ALA B C   1 
ATOM   1446 O O   . ALA B 1 75  ? 17.012  4.872   23.368  1.00 14.01 ? 89  ALA B O   1 
ATOM   1447 C CB  . ALA B 1 75  ? 18.091  7.455   24.855  1.00 14.50 ? 89  ALA B CB  1 
ATOM   1448 N N   . THR B 1 76  ? 16.286  4.791   25.508  1.00 11.90 ? 90  THR B N   1 
ATOM   1449 C CA  . THR B 1 76  ? 15.042  4.092   25.207  1.00 12.53 ? 90  THR B CA  1 
ATOM   1450 C C   . THR B 1 76  ? 13.854  4.990   25.507  1.00 12.62 ? 90  THR B C   1 
ATOM   1451 O O   . THR B 1 76  ? 13.827  5.668   26.538  1.00 12.59 ? 90  THR B O   1 
ATOM   1452 C CB  . THR B 1 76  ? 14.913  2.837   26.075  1.00 13.60 ? 90  THR B CB  1 
ATOM   1453 O OG1 . THR B 1 76  ? 16.045  1.985   25.850  1.00 14.26 ? 90  THR B OG1 1 
ATOM   1454 C CG2 . THR B 1 76  ? 13.599  2.075   25.774  1.00 14.20 ? 90  THR B CG2 1 
ATOM   1455 N N   . THR B 1 77  ? 12.861  4.966   24.618  1.00 11.89 ? 91  THR B N   1 
ATOM   1456 C CA  . THR B 1 77  ? 11.557  5.566   24.873  1.00 12.03 ? 91  THR B CA  1 
ATOM   1457 C C   . THR B 1 77  ? 10.500  4.472   24.907  1.00 11.67 ? 91  THR B C   1 
ATOM   1458 O O   . THR B 1 77  ? 10.470  3.599   24.031  1.00 14.55 ? 91  THR B O   1 
ATOM   1459 C CB  . THR B 1 77  ? 11.187  6.585   23.795  1.00 12.29 ? 91  THR B CB  1 
ATOM   1460 O OG1 . THR B 1 77  ? 11.080  5.923   22.528  1.00 14.24 ? 91  THR B OG1 1 
ATOM   1461 C CG2 . THR B 1 77  ? 12.220  7.709   23.721  1.00 13.83 ? 91  THR B CG2 1 
ATOM   1462 N N   . TRP B 1 78  ? 9.637   4.518   25.913  1.00 11.90 ? 92  TRP B N   1 
ATOM   1463 C CA  . TRP B 1 78  ? 8.498   3.620   26.017  1.00 12.35 ? 92  TRP B CA  1 
ATOM   1464 C C   . TRP B 1 78  ? 7.242   4.428   25.742  1.00 12.48 ? 92  TRP B C   1 
ATOM   1465 O O   . TRP B 1 78  ? 7.063   5.505   26.323  1.00 12.20 ? 92  TRP B O   1 
ATOM   1466 C CB  . TRP B 1 78  ? 8.381   3.043   27.428  1.00 12.44 ? 92  TRP B CB  1 
ATOM   1467 C CG  . TRP B 1 78  ? 9.418   2.030   27.862  1.00 11.51 ? 92  TRP B CG  1 
ATOM   1468 C CD1 . TRP B 1 78  ? 9.261   0.667   27.927  1.00 13.04 ? 92  TRP B CD1 1 
ATOM   1469 C CD2 . TRP B 1 78  ? 10.733  2.303   28.379  1.00 11.27 ? 92  TRP B CD2 1 
ATOM   1470 N NE1 . TRP B 1 78  ? 10.397  0.086   28.435  1.00 12.27 ? 92  TRP B NE1 1 
ATOM   1471 C CE2 . TRP B 1 78  ? 11.319  1.062   28.714  1.00 12.19 ? 92  TRP B CE2 1 
ATOM   1472 C CE3 . TRP B 1 78  ? 11.480  3.474   28.567  1.00 11.25 ? 92  TRP B CE3 1 
ATOM   1473 C CZ2 . TRP B 1 78  ? 12.616  0.959   29.243  1.00 10.94 ? 92  TRP B CZ2 1 
ATOM   1474 C CZ3 . TRP B 1 78  ? 12.765  3.370   29.099  1.00 12.07 ? 92  TRP B CZ3 1 
ATOM   1475 C CH2 . TRP B 1 78  ? 13.318  2.124   29.432  1.00 11.96 ? 92  TRP B CH2 1 
ATOM   1476 N N   . SER B 1 79  ? 6.364   3.897   24.890  1.00 10.97 ? 93  SER B N   1 
ATOM   1477 C CA  . SER B 1 79  ? 5.099   4.530   24.541  1.00 11.46 ? 93  SER B CA  1 
ATOM   1478 C C   . SER B 1 79  ? 3.999   3.519   24.819  1.00 11.98 ? 93  SER B C   1 
ATOM   1479 O O   . SER B 1 79  ? 4.087   2.377   24.366  1.00 12.12 ? 93  SER B O   1 
ATOM   1480 C CB  . SER B 1 79  ? 5.110   4.929   23.057  1.00 13.29 ? 93  SER B CB  1 
ATOM   1481 O OG  . SER B 1 79  ? 3.880   5.514   22.645  1.00 14.05 ? 93  SER B OG  1 
ATOM   1482 N N   . GLY B 1 80  ? 2.986   3.904   25.583  1.00 11.51 ? 94  GLY B N   1 
ATOM   1483 C CA  . GLY B 1 80  ? 1.984   2.916   25.927  1.00 10.85 ? 94  GLY B CA  1 
ATOM   1484 C C   . GLY B 1 80  ? 0.789   3.469   26.658  1.00 10.92 ? 94  GLY B C   1 
ATOM   1485 O O   . GLY B 1 80  ? 0.472   4.656   26.570  1.00 12.22 ? 94  GLY B O   1 
ATOM   1486 N N   . GLN B 1 81  ? 0.102   2.578   27.370  1.00 12.04 ? 95  GLN B N   1 
ATOM   1487 C CA  . GLN B 1 81  ? -1.057  2.996   28.143  1.00 12.98 ? 95  GLN B CA  1 
ATOM   1488 C C   . GLN B 1 81  ? -1.138  2.232   29.453  1.00 13.72 ? 95  GLN B C   1 
ATOM   1489 O O   . GLN B 1 81  ? -0.787  1.049   29.526  1.00 14.41 ? 95  GLN B O   1 
ATOM   1490 C CB  . GLN B 1 81  ? -2.369  2.900   27.351  1.00 16.90 ? 95  GLN B CB  1 
ATOM   1491 C CG  . GLN B 1 81  ? -2.712  1.546   26.778  1.00 17.59 ? 95  GLN B CG  1 
ATOM   1492 C CD  . GLN B 1 81  ? -3.966  1.604   25.905  1.00 16.01 ? 95  GLN B CD  1 
ATOM   1493 O OE1 . GLN B 1 81  ? -4.975  2.218   26.279  1.00 16.13 ? 95  GLN B OE1 1 
ATOM   1494 N NE2 . GLN B 1 81  ? -3.905  0.973   24.738  1.00 18.53 ? 95  GLN B NE2 1 
ATOM   1495 N N   . TYR B 1 82  ? -1.581  2.938   30.489  1.00 13.35 ? 96  TYR B N   1 
ATOM   1496 C CA  . TYR B 1 82  ? -1.882  2.339   31.777  1.00 13.84 ? 96  TYR B CA  1 
ATOM   1497 C C   . TYR B 1 82  ? -3.318  1.828   31.761  1.00 15.32 ? 96  TYR B C   1 
ATOM   1498 O O   . TYR B 1 82  ? -4.231  2.516   31.293  1.00 16.48 ? 96  TYR B O   1 
ATOM   1499 C CB  . TYR B 1 82  ? -1.703  3.384   32.885  1.00 15.19 ? 96  TYR B CB  1 
ATOM   1500 C CG  . TYR B 1 82  ? -2.441  3.075   34.172  1.00 15.68 ? 96  TYR B CG  1 
ATOM   1501 C CD1 . TYR B 1 82  ? -1.887  2.232   35.135  1.00 14.68 ? 96  TYR B CD1 1 
ATOM   1502 C CD2 . TYR B 1 82  ? -3.691  3.634   34.432  1.00 17.72 ? 96  TYR B CD2 1 
ATOM   1503 C CE1 . TYR B 1 82  ? -2.571  1.955   36.323  1.00 16.26 ? 96  TYR B CE1 1 
ATOM   1504 C CE2 . TYR B 1 82  ? -4.372  3.363   35.606  1.00 18.20 ? 96  TYR B CE2 1 
ATOM   1505 C CZ  . TYR B 1 82  ? -3.812  2.523   36.550  1.00 17.57 ? 96  TYR B CZ  1 
ATOM   1506 O OH  . TYR B 1 82  ? -4.499  2.254   37.723  1.00 21.64 ? 96  TYR B OH  1 
ATOM   1507 N N   . VAL B 1 83  ? -3.511  0.613   32.271  1.00 15.94 ? 97  VAL B N   1 
ATOM   1508 C CA  . VAL B 1 83  ? -4.820  -0.018  32.340  1.00 18.75 ? 97  VAL B CA  1 
ATOM   1509 C C   . VAL B 1 83  ? -5.032  -0.397  33.797  1.00 21.84 ? 97  VAL B C   1 
ATOM   1510 O O   . VAL B 1 83  ? -4.288  -1.224  34.340  1.00 22.81 ? 97  VAL B O   1 
ATOM   1511 C CB  . VAL B 1 83  ? -4.920  -1.253  31.433  1.00 20.28 ? 97  VAL B CB  1 
ATOM   1512 C CG1 . VAL B 1 83  ? -6.293  -1.897  31.552  1.00 24.76 ? 97  VAL B CG1 1 
ATOM   1513 C CG2 . VAL B 1 83  ? -4.615  -0.880  29.978  1.00 21.57 ? 97  VAL B CG2 1 
ATOM   1514 N N   . GLY B 1 84  ? -6.023  0.220   34.439  1.00 23.89 ? 98  GLY B N   1 
ATOM   1515 C CA  . GLY B 1 84  ? -6.311  -0.072  35.825  1.00 27.59 ? 98  GLY B CA  1 
ATOM   1516 C C   . GLY B 1 84  ? -7.163  -1.317  35.994  1.00 32.08 ? 98  GLY B C   1 
ATOM   1517 O O   . GLY B 1 84  ? -7.613  -1.948  35.039  1.00 34.69 ? 98  GLY B O   1 
ATOM   1518 N N   . GLY B 1 85  ? -7.377  -1.677  37.253  1.00 35.27 ? 99  GLY B N   1 
ATOM   1519 C CA  . GLY B 1 85  ? -8.195  -2.808  37.625  1.00 35.86 ? 99  GLY B CA  1 
ATOM   1520 C C   . GLY B 1 85  ? -7.489  -3.670  38.641  1.00 35.69 ? 99  GLY B C   1 
ATOM   1521 O O   . GLY B 1 85  ? -6.457  -3.291  39.207  1.00 36.62 ? 99  GLY B O   1 
ATOM   1522 N N   . ALA B 1 86  ? -8.051  -4.864  38.867  1.00 37.09 ? 100 ALA B N   1 
ATOM   1523 C CA  . ALA B 1 86  ? -7.500  -5.782  39.859  1.00 37.04 ? 100 ALA B CA  1 
ATOM   1524 C C   . ALA B 1 86  ? -6.108  -6.265  39.481  1.00 38.04 ? 100 ALA B C   1 
ATOM   1525 O O   . ALA B 1 86  ? -5.290  -6.543  40.365  1.00 40.94 ? 100 ALA B O   1 
ATOM   1526 C CB  . ALA B 1 86  ? -8.440  -6.970  40.060  1.00 35.84 ? 100 ALA B CB  1 
ATOM   1527 N N   . GLU B 1 87  ? -5.824  -6.382  38.189  1.00 35.62 ? 101 GLU B N   1 
ATOM   1528 C CA  . GLU B 1 87  ? -4.494  -6.716  37.695  1.00 35.67 ? 101 GLU B CA  1 
ATOM   1529 C C   . GLU B 1 87  ? -4.035  -5.582  36.782  1.00 30.37 ? 101 GLU B C   1 
ATOM   1530 O O   . GLU B 1 87  ? -3.997  -5.719  35.553  1.00 31.14 ? 101 GLU B O   1 
ATOM   1531 C CB  . GLU B 1 87  ? -4.489  -8.073  36.987  1.00 41.92 ? 101 GLU B CB  1 
ATOM   1532 C CG  . GLU B 1 87  ? -4.795  -9.245  37.916  1.00 47.71 ? 101 GLU B CG  1 
ATOM   1533 C CD  . GLU B 1 87  ? -4.860  -10.577 37.190  1.00 52.43 ? 101 GLU B CD  1 
ATOM   1534 O OE1 . GLU B 1 87  ? -4.579  -10.614 35.972  1.00 54.62 ? 101 GLU B OE1 1 
ATOM   1535 O OE2 . GLU B 1 87  ? -5.194  -11.590 37.843  1.00 53.97 ? 101 GLU B OE2 1 
ATOM   1536 N N   . ALA B 1 88  ? -3.705  -4.448  37.394  1.00 24.17 ? 102 ALA B N   1 
ATOM   1537 C CA  . ALA B 1 88  ? -3.327  -3.268  36.631  1.00 20.57 ? 102 ALA B CA  1 
ATOM   1538 C C   . ALA B 1 88  ? -2.055  -3.533  35.838  1.00 19.22 ? 102 ALA B C   1 
ATOM   1539 O O   . ALA B 1 88  ? -1.181  -4.295  36.259  1.00 20.22 ? 102 ALA B O   1 
ATOM   1540 C CB  . ALA B 1 88  ? -3.095  -2.094  37.577  1.00 20.75 ? 102 ALA B CB  1 
ATOM   1541 N N   . ARG B 1 89  ? -1.950  -2.879  34.681  1.00 16.35 ? 103 ARG B N   1 
ATOM   1542 C CA  . ARG B 1 89  ? -0.818  -3.076  33.784  1.00 16.69 ? 103 ARG B CA  1 
ATOM   1543 C C   . ARG B 1 89  ? -0.425  -1.754  33.143  1.00 13.83 ? 103 ARG B C   1 
ATOM   1544 O O   . ARG B 1 89  ? -1.247  -0.849  32.977  1.00 15.20 ? 103 ARG B O   1 
ATOM   1545 C CB  . ARG B 1 89  ? -1.177  -4.025  32.620  1.00 20.20 ? 103 ARG B CB  1 
ATOM   1546 C CG  . ARG B 1 89  ? -1.595  -5.425  33.026  1.00 25.54 ? 103 ARG B CG  1 
ATOM   1547 C CD  . ARG B 1 89  ? -0.405  -6.357  33.103  0.81 29.02 ? 103 ARG B CD  1 
ATOM   1548 N NE  . ARG B 1 89  ? -0.811  -7.744  33.302  0.88 31.55 ? 103 ARG B NE  1 
ATOM   1549 C CZ  . ARG B 1 89  ? -1.248  -8.233  34.455  0.30 32.20 ? 103 ARG B CZ  1 
ATOM   1550 N NH1 . ARG B 1 89  ? -1.390  -7.464  35.522  0.72 30.40 ? 103 ARG B NH1 1 
ATOM   1551 N NH2 . ARG B 1 89  ? -1.555  -9.524  34.538  1.00 35.38 ? 103 ARG B NH2 1 
ATOM   1552 N N   . ILE B 1 90  ? 0.839   -1.653  32.756  1.00 13.62 ? 104 ILE B N   1 
ATOM   1553 C CA  . ILE B 1 90  ? 1.272   -0.637  31.802  1.00 13.27 ? 104 ILE B CA  1 
ATOM   1554 C C   . ILE B 1 90  ? 1.816   -1.388  30.599  1.00 13.72 ? 104 ILE B C   1 
ATOM   1555 O O   . ILE B 1 90  ? 2.820   -2.099  30.709  1.00 15.05 ? 104 ILE B O   1 
ATOM   1556 C CB  . ILE B 1 90  ? 2.301   0.344   32.386  1.00 14.88 ? 104 ILE B CB  1 
ATOM   1557 C CG1 . ILE B 1 90  ? 1.701   1.084   33.591  1.00 14.87 ? 104 ILE B CG1 1 
ATOM   1558 C CG2 . ILE B 1 90  ? 2.687   1.372   31.330  1.00 16.08 ? 104 ILE B CG2 1 
ATOM   1559 C CD1 . ILE B 1 90  ? 2.682   2.041   34.296  1.00 17.13 ? 104 ILE B CD1 1 
ATOM   1560 N N   . ASN B 1 91  ? 1.130   -1.268  29.464  1.00 14.23 ? 105 ASN B N   1 
ATOM   1561 C CA  . ASN B 1 91  ? 1.470   -2.006  28.252  1.00 13.67 ? 105 ASN B CA  1 
ATOM   1562 C C   . ASN B 1 91  ? 2.172   -1.057  27.293  1.00 12.63 ? 105 ASN B C   1 
ATOM   1563 O O   . ASN B 1 91  ? 1.606   -0.020  26.928  1.00 13.75 ? 105 ASN B O   1 
ATOM   1564 C CB  . ASN B 1 91  ? 0.193   -2.539  27.607  1.00 15.87 ? 105 ASN B CB  1 
ATOM   1565 C CG  . ASN B 1 91  ? -0.547  -3.480  28.516  1.00 19.79 ? 105 ASN B CG  1 
ATOM   1566 O OD1 . ASN B 1 91  ? 0.062   -4.351  29.137  1.00 21.10 ? 105 ASN B OD1 1 
ATOM   1567 N ND2 . ASN B 1 91  ? -1.861  -3.299  28.627  1.00 20.59 ? 105 ASN B ND2 1 
ATOM   1568 N N   . THR B 1 92  ? 3.395   -1.400  26.889  1.00 11.39 ? 106 THR B N   1 
ATOM   1569 C CA  . THR B 1 92  ? 4.223   -0.469  26.128  1.00 11.67 ? 106 THR B CA  1 
ATOM   1570 C C   . THR B 1 92  ? 4.869   -1.139  24.924  1.00 12.23 ? 106 THR B C   1 
ATOM   1571 O O   . THR B 1 92  ? 5.052   -2.360  24.867  1.00 13.56 ? 106 THR B O   1 
ATOM   1572 C CB  . THR B 1 92  ? 5.378   0.113   26.972  1.00 12.23 ? 106 THR B CB  1 
ATOM   1573 O OG1 . THR B 1 92  ? 6.351   -0.913  27.225  1.00 13.41 ? 106 THR B OG1 1 
ATOM   1574 C CG2 . THR B 1 92  ? 4.867   0.685   28.291  1.00 12.76 ? 106 THR B CG2 1 
ATOM   1575 N N   . GLN B 1 93  ? 5.229   -0.299  23.968  1.00 12.23 ? 107 GLN B N   1 
ATOM   1576 C CA  . GLN B 1 93  ? 6.208   -0.629  22.950  1.00 11.60 ? 107 GLN B CA  1 
ATOM   1577 C C   . GLN B 1 93  ? 7.344   0.373   23.091  1.00 12.06 ? 107 GLN B C   1 
ATOM   1578 O O   . GLN B 1 93  ? 7.144   1.484   23.596  1.00 13.02 ? 107 GLN B O   1 
ATOM   1579 C CB  . GLN B 1 93  ? 5.566   -0.570  21.564  1.00 14.35 ? 107 GLN B CB  1 
ATOM   1580 C CG  . GLN B 1 93  ? 4.419   -1.578  21.461  1.00 15.92 ? 107 GLN B CG  1 
ATOM   1581 C CD  . GLN B 1 93  ? 3.870   -1.736  20.064  1.00 16.26 ? 107 GLN B CD  1 
ATOM   1582 O OE1 . GLN B 1 93  ? 4.420   -2.481  19.255  1.00 19.36 ? 107 GLN B OE1 1 
ATOM   1583 N NE2 . GLN B 1 93  ? 2.758   -1.062  19.781  1.00 17.58 ? 107 GLN B NE2 1 
ATOM   1584 N N   . TRP B 1 94  ? 8.549   -0.032  22.700  1.00 11.50 ? 108 TRP B N   1 
ATOM   1585 C CA  . TRP B 1 94  ? 9.708   0.807   22.947  1.00 11.03 ? 108 TRP B CA  1 
ATOM   1586 C C   . TRP B 1 94  ? 10.622  0.883   21.734  1.00 11.15 ? 108 TRP B C   1 
ATOM   1587 O O   . TRP B 1 94  ? 10.649  -0.011  20.880  1.00 12.39 ? 108 TRP B O   1 
ATOM   1588 C CB  . TRP B 1 94  ? 10.497  0.391   24.203  1.00 12.58 ? 108 TRP B CB  1 
ATOM   1589 C CG  . TRP B 1 94  ? 10.908  -1.051  24.289  1.00 12.35 ? 108 TRP B CG  1 
ATOM   1590 C CD1 . TRP B 1 94  ? 10.317  -2.028  25.046  1.00 13.45 ? 108 TRP B CD1 1 
ATOM   1591 C CD2 . TRP B 1 94  ? 12.043  -1.665  23.657  1.00 13.01 ? 108 TRP B CD2 1 
ATOM   1592 N NE1 . TRP B 1 94  ? 10.995  -3.218  24.896  1.00 13.23 ? 108 TRP B NE1 1 
ATOM   1593 C CE2 . TRP B 1 94  ? 12.058  -3.021  24.051  1.00 12.82 ? 108 TRP B CE2 1 
ATOM   1594 C CE3 . TRP B 1 94  ? 13.032  -1.204  22.781  1.00 13.11 ? 108 TRP B CE3 1 
ATOM   1595 C CZ2 . TRP B 1 94  ? 13.031  -3.919  23.601  1.00 13.20 ? 108 TRP B CZ2 1 
ATOM   1596 C CZ3 . TRP B 1 94  ? 14.001  -2.097  22.332  1.00 12.51 ? 108 TRP B CZ3 1 
ATOM   1597 C CH2 . TRP B 1 94  ? 13.987  -3.442  22.741  1.00 12.93 ? 108 TRP B CH2 1 
ATOM   1598 N N   . LEU B 1 95  ? 11.388  1.974   21.695  1.00 12.87 ? 109 LEU B N   1 
ATOM   1599 C CA  . LEU B 1 95  ? 12.442  2.205   20.717  1.00 12.08 ? 109 LEU B CA  1 
ATOM   1600 C C   . LEU B 1 95  ? 13.723  2.538   21.462  1.00 12.81 ? 109 LEU B C   1 
ATOM   1601 O O   . LEU B 1 95  ? 13.722  3.380   22.368  1.00 14.86 ? 109 LEU B O   1 
ATOM   1602 C CB  . LEU B 1 95  ? 12.090  3.373   19.791  1.00 13.12 ? 109 LEU B CB  1 
ATOM   1603 C CG  . LEU B 1 95  ? 10.861  3.214   18.889  1.00 13.95 ? 109 LEU B CG  1 
ATOM   1604 C CD1 . LEU B 1 95  ? 10.526  4.542   18.236  1.00 14.46 ? 109 LEU B CD1 1 
ATOM   1605 C CD2 . LEU B 1 95  ? 11.119  2.139   17.831  1.00 15.01 ? 109 LEU B CD2 1 
ATOM   1606 N N   . LEU B 1 96  ? 14.816  1.897   21.068  1.00 12.17 ? 110 LEU B N   1 
ATOM   1607 C CA  . LEU B 1 96  ? 16.117  2.064   21.711  1.00 12.09 ? 110 LEU B CA  1 
ATOM   1608 C C   . LEU B 1 96  ? 17.112  2.499   20.644  1.00 12.32 ? 110 LEU B C   1 
ATOM   1609 O O   . LEU B 1 96  ? 17.527  1.688   19.805  1.00 14.05 ? 110 LEU B O   1 
ATOM   1610 C CB  . LEU B 1 96  ? 16.546  0.757   22.380  1.00 13.15 ? 110 LEU B CB  1 
ATOM   1611 C CG  . LEU B 1 96  ? 18.003  0.578   22.816  1.00 15.23 ? 110 LEU B CG  1 
ATOM   1612 C CD1 . LEU B 1 96  ? 18.507  1.784   23.605  1.00 15.52 ? 110 LEU B CD1 1 
ATOM   1613 C CD2 . LEU B 1 96  ? 18.128  -0.707  23.639  1.00 16.57 ? 110 LEU B CD2 1 
ATOM   1614 N N   . THR B 1 97  ? 17.487  3.777   20.667  1.00 12.88 ? 111 THR B N   1 
ATOM   1615 C CA  . THR B 1 97  ? 18.396  4.333   19.670  1.00 13.35 ? 111 THR B CA  1 
ATOM   1616 C C   . THR B 1 97  ? 19.776  4.509   20.285  1.00 15.79 ? 111 THR B C   1 
ATOM   1617 O O   . THR B 1 97  ? 19.905  5.078   21.374  1.00 16.10 ? 111 THR B O   1 
ATOM   1618 C CB  . THR B 1 97  ? 17.901  5.683   19.147  1.00 13.98 ? 111 THR B CB  1 
ATOM   1619 O OG1 . THR B 1 97  ? 16.572  5.545   18.643  1.00 15.27 ? 111 THR B OG1 1 
ATOM   1620 C CG2 . THR B 1 97  ? 18.800  6.160   18.000  1.00 16.43 ? 111 THR B CG2 1 
ATOM   1621 N N   . SER B 1 98  ? 20.799  4.019   19.587  1.00 15.55 ? 112 SER B N   1 
ATOM   1622 C CA  . SER B 1 98  ? 22.187  4.239   19.959  1.00 16.23 ? 112 SER B CA  1 
ATOM   1623 C C   . SER B 1 98  ? 22.769  5.392   19.148  1.00 17.44 ? 112 SER B C   1 
ATOM   1624 O O   . SER B 1 98  ? 22.392  5.614   17.996  1.00 17.78 ? 112 SER B O   1 
ATOM   1625 C CB  . SER B 1 98  ? 23.013  2.985   19.669  1.00 16.91 ? 112 SER B CB  1 
ATOM   1626 O OG  . SER B 1 98  ? 22.596  1.895   20.464  1.00 18.04 ? 112 SER B OG  1 
ATOM   1627 N N   . GLY B 1 99  ? 23.703  6.121   19.755  1.00 17.43 ? 113 GLY B N   1 
ATOM   1628 C CA  . GLY B 1 99  ? 24.496  7.077   19.001  1.00 18.53 ? 113 GLY B CA  1 
ATOM   1629 C C   . GLY B 1 99  ? 25.434  6.337   18.066  1.00 19.69 ? 113 GLY B C   1 
ATOM   1630 O O   . GLY B 1 99  ? 26.211  5.475   18.512  1.00 20.98 ? 113 GLY B O   1 
ATOM   1631 N N   . THR B 1 100 ? 25.362  6.628   16.763  1.00 20.70 ? 114 THR B N   1 
ATOM   1632 C CA  . THR B 1 100 ? 26.186  5.946   15.772  1.00 19.78 ? 114 THR B CA  1 
ATOM   1633 C C   . THR B 1 100 ? 26.781  6.965   14.805  1.00 19.67 ? 114 THR B C   1 
ATOM   1634 O O   . THR B 1 100 ? 26.387  8.131   14.776  1.00 22.00 ? 114 THR B O   1 
ATOM   1635 C CB  . THR B 1 100 ? 25.368  4.939   14.950  1.00 19.90 ? 114 THR B CB  1 
ATOM   1636 O OG1 . THR B 1 100 ? 24.475  5.649   14.083  1.00 20.60 ? 114 THR B OG1 1 
ATOM   1637 C CG2 . THR B 1 100 ? 24.560  4.012   15.842  1.00 21.32 ? 114 THR B CG2 1 
ATOM   1638 N N   . THR B 1 101 ? 27.736  6.506   13.996  1.00 21.45 ? 115 THR B N   1 
ATOM   1639 C CA  . THR B 1 101 ? 28.130  7.268   12.822  1.00 21.78 ? 115 THR B CA  1 
ATOM   1640 C C   . THR B 1 101 ? 27.028  7.190   11.764  1.00 21.88 ? 115 THR B C   1 
ATOM   1641 O O   . THR B 1 101 ? 26.109  6.373   11.844  1.00 21.17 ? 115 THR B O   1 
ATOM   1642 C CB  . THR B 1 101 ? 29.398  6.679   12.216  1.00 22.85 ? 115 THR B CB  1 
ATOM   1643 O OG1 . THR B 1 101 ? 29.109  5.362   11.735  1.00 23.17 ? 115 THR B OG1 1 
ATOM   1644 C CG2 . THR B 1 101 ? 30.508  6.612   13.263  1.00 23.83 ? 115 THR B CG2 1 
ATOM   1645 N N   . GLU B 1 102 ? 27.133  8.051   10.749  1.00 23.78 ? 116 GLU B N   1 
ATOM   1646 C CA  . GLU B 1 102 ? 26.130  8.048   9.687   1.00 24.13 ? 116 GLU B CA  1 
ATOM   1647 C C   . GLU B 1 102 ? 26.105  6.712   8.950   1.00 23.26 ? 116 GLU B C   1 
ATOM   1648 O O   . GLU B 1 102 ? 25.032  6.206   8.603   1.00 22.83 ? 116 GLU B O   1 
ATOM   1649 C CB  . GLU B 1 102 ? 26.375  9.205   8.716   1.00 27.24 ? 116 GLU B CB  1 
ATOM   1650 C CG  . GLU B 1 102 ? 25.359  9.290   7.581   1.00 33.58 ? 116 GLU B CG  1 
ATOM   1651 C CD  . GLU B 1 102 ? 23.930  9.470   8.075   1.00 39.34 ? 116 GLU B CD  1 
ATOM   1652 O OE1 . GLU B 1 102 ? 23.703  10.332  8.954   1.00 42.16 ? 116 GLU B OE1 1 
ATOM   1653 O OE2 . GLU B 1 102 ? 23.032  8.745   7.587   1.00 41.36 ? 116 GLU B OE2 1 
ATOM   1654 N N   . ALA B 1 103 ? 27.280  6.118   8.720   1.00 23.50 ? 117 ALA B N   1 
ATOM   1655 C CA  . ALA B 1 103 ? 27.344  4.852   7.997   1.00 24.20 ? 117 ALA B CA  1 
ATOM   1656 C C   . ALA B 1 103 ? 26.642  3.730   8.752   1.00 23.07 ? 117 ALA B C   1 
ATOM   1657 O O   . ALA B 1 103 ? 26.171  2.765   8.137   1.00 24.22 ? 117 ALA B O   1 
ATOM   1658 C CB  . ALA B 1 103 ? 28.804  4.479   7.723   1.00 25.08 ? 117 ALA B CB  1 
ATOM   1659 N N   . ASN B 1 104 ? 26.572  3.826   10.076  1.00 21.85 ? 118 ASN B N   1 
ATOM   1660 C CA  . ASN B 1 104 ? 25.936  2.800   10.890  1.00 20.40 ? 118 ASN B CA  1 
ATOM   1661 C C   . ASN B 1 104 ? 24.553  3.204   11.373  1.00 20.36 ? 118 ASN B C   1 
ATOM   1662 O O   . ASN B 1 104 ? 23.943  2.470   12.157  1.00 21.23 ? 118 ASN B O   1 
ATOM   1663 C CB  . ASN B 1 104 ? 26.826  2.437   12.076  1.00 21.75 ? 118 ASN B CB  1 
ATOM   1664 C CG  . ASN B 1 104 ? 28.121  1.808   11.641  1.00 25.05 ? 118 ASN B CG  1 
ATOM   1665 O OD1 . ASN B 1 104 ? 28.178  1.137   10.609  1.00 27.44 ? 118 ASN B OD1 1 
ATOM   1666 N ND2 . ASN B 1 104 ? 29.174  2.025   12.413  1.00 28.60 ? 118 ASN B ND2 1 
ATOM   1667 N N   . ALA B 1 105 ? 24.044  4.353   10.920  1.00 19.85 ? 119 ALA B N   1 
ATOM   1668 C CA  . ALA B 1 105 ? 22.777  4.858   11.442  1.00 19.47 ? 119 ALA B CA  1 
ATOM   1669 C C   . ALA B 1 105 ? 21.605  3.969   11.055  1.00 18.06 ? 119 ALA B C   1 
ATOM   1670 O O   . ALA B 1 105 ? 20.603  3.921   11.777  1.00 18.22 ? 119 ALA B O   1 
ATOM   1671 C CB  . ALA B 1 105 ? 22.536  6.290   10.965  1.00 20.95 ? 119 ALA B CB  1 
ATOM   1672 N N   . TRP B 1 106 ? 21.708  3.259   9.929   1.00 19.19 ? 120 TRP B N   1 
ATOM   1673 C CA  . TRP B 1 106 ? 20.589  2.435   9.479   1.00 20.01 ? 120 TRP B CA  1 
ATOM   1674 C C   . TRP B 1 106 ? 20.235  1.358   10.496  1.00 21.88 ? 120 TRP B C   1 
ATOM   1675 O O   . TRP B 1 106 ? 19.081  0.922   10.556  1.00 21.40 ? 120 TRP B O   1 
ATOM   1676 C CB  . TRP B 1 106 ? 20.898  1.820   8.113   1.00 21.96 ? 120 TRP B CB  1 
ATOM   1677 C CG  . TRP B 1 106 ? 21.921  0.735   8.167   1.00 23.26 ? 120 TRP B CG  1 
ATOM   1678 C CD1 . TRP B 1 106 ? 23.280  0.878   8.103   1.00 24.97 ? 120 TRP B CD1 1 
ATOM   1679 C CD2 . TRP B 1 106 ? 21.670  -0.664  8.302   1.00 24.27 ? 120 TRP B CD2 1 
ATOM   1680 N NE1 . TRP B 1 106 ? 23.888  -0.349  8.190   1.00 24.89 ? 120 TRP B NE1 1 
ATOM   1681 C CE2 . TRP B 1 106 ? 22.921  -1.314  8.313   1.00 26.73 ? 120 TRP B CE2 1 
ATOM   1682 C CE3 . TRP B 1 106 ? 20.506  -1.435  8.419   1.00 23.85 ? 120 TRP B CE3 1 
ATOM   1683 C CZ2 . TRP B 1 106 ? 23.043  -2.699  8.424   1.00 29.31 ? 120 TRP B CZ2 1 
ATOM   1684 C CZ3 . TRP B 1 106 ? 20.628  -2.808  8.525   1.00 26.68 ? 120 TRP B CZ3 1 
ATOM   1685 C CH2 . TRP B 1 106 ? 21.888  -3.426  8.532   1.00 28.72 ? 120 TRP B CH2 1 
ATOM   1686 N N   . LYS B 1 107 ? 21.202  0.932   11.311  1.00 20.25 ? 121 LYS B N   1 
ATOM   1687 C CA  . LYS B 1 107 ? 20.991  -0.099  12.320  1.00 21.24 ? 121 LYS B CA  1 
ATOM   1688 C C   . LYS B 1 107 ? 21.068  0.464   13.739  1.00 18.30 ? 121 LYS B C   1 
ATOM   1689 O O   . LYS B 1 107 ? 21.408  -0.250  14.682  1.00 19.70 ? 121 LYS B O   1 
ATOM   1690 C CB  . LYS B 1 107 ? 21.977  -1.251  12.131  1.00 24.61 ? 121 LYS B CB  1 
ATOM   1691 C CG  . LYS B 1 107 ? 23.428  -0.806  11.992  1.00 26.39 ? 121 LYS B CG  1 
ATOM   1692 C CD  . LYS B 1 107 ? 24.354  -2.005  11.807  1.00 28.74 ? 121 LYS B CD  1 
ATOM   1693 C CE  . LYS B 1 107 ? 25.803  -1.571  11.658  1.00 31.40 ? 121 LYS B CE  1 
ATOM   1694 N NZ  . LYS B 1 107 ? 26.701  -2.745  11.461  1.00 34.35 ? 121 LYS B NZ  1 
ATOM   1695 N N   . SER B 1 108 ? 20.719  1.734   13.901  1.00 16.62 ? 122 SER B N   1 
ATOM   1696 C CA  . SER B 1 108 ? 20.826  2.421   15.182  1.00 15.46 ? 122 SER B CA  1 
ATOM   1697 C C   . SER B 1 108 ? 19.683  2.131   16.150  1.00 14.23 ? 122 SER B C   1 
ATOM   1698 O O   . SER B 1 108 ? 19.830  2.448   17.334  1.00 15.59 ? 122 SER B O   1 
ATOM   1699 C CB  . SER B 1 108 ? 20.872  3.934   14.951  1.00 15.68 ? 122 SER B CB  1 
ATOM   1700 O OG  . SER B 1 108 ? 19.645  4.401   14.387  1.00 19.63 ? 122 SER B OG  1 
ATOM   1701 N N   . THR B 1 109 ? 18.556  1.565   15.702  1.00 13.68 ? 123 THR B N   1 
ATOM   1702 C CA  . THR B 1 109 ? 17.335  1.566   16.511  1.00 12.57 ? 123 THR B CA  1 
ATOM   1703 C C   . THR B 1 109 ? 16.756  0.166   16.647  1.00 11.09 ? 123 THR B C   1 
ATOM   1704 O O   . THR B 1 109 ? 16.363  -0.444  15.646  1.00 13.08 ? 123 THR B O   1 
ATOM   1705 C CB  . THR B 1 109 ? 16.277  2.506   15.918  1.00 13.43 ? 123 THR B CB  1 
ATOM   1706 O OG1 . THR B 1 109 ? 16.863  3.785   15.668  1.00 16.35 ? 123 THR B OG1 1 
ATOM   1707 C CG2 . THR B 1 109 ? 15.101  2.678   16.893  1.00 12.91 ? 123 THR B CG2 1 
ATOM   1708 N N   . LEU B 1 110 ? 16.634  -0.297  17.891  1.00 11.90 ? 124 LEU B N   1 
ATOM   1709 C CA  . LEU B 1 110 ? 15.945  -1.533  18.230  1.00 12.28 ? 124 LEU B CA  1 
ATOM   1710 C C   . LEU B 1 110 ? 14.501  -1.226  18.617  1.00 12.93 ? 124 LEU B C   1 
ATOM   1711 O O   . LEU B 1 110 ? 14.190  -0.138  19.111  1.00 12.23 ? 124 LEU B O   1 
ATOM   1712 C CB  . LEU B 1 110 ? 16.640  -2.208  19.415  1.00 12.14 ? 124 LEU B CB  1 
ATOM   1713 C CG  . LEU B 1 110 ? 18.046  -2.750  19.127  1.00 14.30 ? 124 LEU B CG  1 
ATOM   1714 C CD1 . LEU B 1 110 ? 18.796  -3.060  20.424  1.00 15.81 ? 124 LEU B CD1 1 
ATOM   1715 C CD2 . LEU B 1 110 ? 17.952  -3.998  18.264  1.00 15.57 ? 124 LEU B CD2 1 
ATOM   1716 N N   . VAL B 1 111 ? 13.616  -2.198  18.394  1.00 12.73 ? 125 VAL B N   1 
ATOM   1717 C CA  . VAL B 1 111 ? 12.207  -2.064  18.759  1.00 13.10 ? 125 VAL B CA  1 
ATOM   1718 C C   . VAL B 1 111 ? 11.757  -3.295  19.540  1.00 12.51 ? 125 VAL B C   1 
ATOM   1719 O O   . VAL B 1 111 ? 12.168  -4.421  19.239  1.00 14.09 ? 125 VAL B O   1 
ATOM   1720 C CB  . VAL B 1 111 ? 11.302  -1.822  17.524  1.00 13.18 ? 125 VAL B CB  1 
ATOM   1721 C CG1 . VAL B 1 111 ? 11.409  -2.971  16.512  1.00 13.42 ? 125 VAL B CG1 1 
ATOM   1722 C CG2 . VAL B 1 111 ? 9.842   -1.609  17.947  1.00 14.08 ? 125 VAL B CG2 1 
ATOM   1723 N N   . GLY B 1 112 ? 10.880  -3.085  20.511  1.00 12.11 ? 126 GLY B N   1 
ATOM   1724 C CA  . GLY B 1 112 ? 10.331  -4.193  21.259  1.00 12.78 ? 126 GLY B CA  1 
ATOM   1725 C C   . GLY B 1 112 ? 9.121   -3.773  22.062  1.00 11.96 ? 126 GLY B C   1 
ATOM   1726 O O   . GLY B 1 112 ? 8.534   -2.716  21.822  1.00 12.65 ? 126 GLY B O   1 
ATOM   1727 N N   . HIS B 1 113 ? 8.743   -4.620  23.019  1.00 12.86 ? 127 HIS B N   1 
ATOM   1728 C CA  . HIS B 1 113 ? 7.583   -4.356  23.862  1.00 14.07 ? 127 HIS B CA  1 
ATOM   1729 C C   . HIS B 1 113 ? 7.864   -4.829  25.282  1.00 15.22 ? 127 HIS B C   1 
ATOM   1730 O O   . HIS B 1 113 ? 8.534   -5.839  25.490  1.00 18.15 ? 127 HIS B O   1 
ATOM   1731 C CB  . HIS B 1 113 ? 6.323   -5.043  23.312  1.00 17.15 ? 127 HIS B CB  1 
ATOM   1732 C CG  . HIS B 1 113 ? 6.537   -6.477  22.932  1.00 21.53 ? 127 HIS B CG  1 
ATOM   1733 N ND1 . HIS B 1 113 ? 7.096   -6.855  21.730  1.00 24.27 ? 127 HIS B ND1 1 
ATOM   1734 C CD2 . HIS B 1 113 ? 6.267   -7.625  23.599  1.00 23.42 ? 127 HIS B CD2 1 
ATOM   1735 C CE1 . HIS B 1 113 ? 7.162   -8.174  21.673  1.00 25.78 ? 127 HIS B CE1 1 
ATOM   1736 N NE2 . HIS B 1 113 ? 6.668   -8.666  22.795  1.00 25.89 ? 127 HIS B NE2 1 
ATOM   1737 N N   . ASP B 1 114 ? 7.344   -4.081  26.259  1.00 14.05 ? 128 ASP B N   1 
ATOM   1738 C CA  . ASP B 1 114 ? 7.442   -4.402  27.675  1.00 14.30 ? 128 ASP B CA  1 
ATOM   1739 C C   . ASP B 1 114 ? 6.056   -4.293  28.293  1.00 12.79 ? 128 ASP B C   1 
ATOM   1740 O O   . ASP B 1 114 ? 5.308   -3.351  27.995  1.00 14.04 ? 128 ASP B O   1 
ATOM   1741 C CB  . ASP B 1 114 ? 8.338   -3.390  28.420  1.00 14.78 ? 128 ASP B CB  1 
ATOM   1742 C CG  . ASP B 1 114 ? 9.826   -3.650  28.236  1.00 20.09 ? 128 ASP B CG  1 
ATOM   1743 O OD1 . ASP B 1 114 ? 10.218  -4.658  27.603  1.00 25.03 ? 128 ASP B OD1 1 
ATOM   1744 O OD2 . ASP B 1 114 ? 10.615  -2.825  28.728  1.00 17.99 ? 128 ASP B OD2 1 
ATOM   1745 N N   . THR B 1 115 ? 5.720   -5.243  29.164  1.00 14.23 ? 129 THR B N   1 
ATOM   1746 C CA  . THR B 1 115 ? 4.514   -5.181  29.982  1.00 15.20 ? 129 THR B CA  1 
ATOM   1747 C C   . THR B 1 115 ? 4.916   -5.062  31.447  1.00 15.26 ? 129 THR B C   1 
ATOM   1748 O O   . THR B 1 115 ? 5.776   -5.811  31.921  1.00 17.57 ? 129 THR B O   1 
ATOM   1749 C CB  . THR B 1 115 ? 3.661   -6.435  29.791  1.00 18.73 ? 129 THR B CB  1 
ATOM   1750 O OG1 . THR B 1 115 ? 3.399   -6.626  28.398  1.00 25.87 ? 129 THR B OG1 1 
ATOM   1751 C CG2 . THR B 1 115 ? 2.337   -6.286  30.530  1.00 19.35 ? 129 THR B CG2 1 
ATOM   1752 N N   . PHE B 1 116 ? 4.304   -4.114  32.156  1.00 13.94 ? 130 PHE B N   1 
ATOM   1753 C CA  . PHE B 1 116 ? 4.642   -3.834  33.546  1.00 14.36 ? 130 PHE B CA  1 
ATOM   1754 C C   . PHE B 1 116 ? 3.469   -4.182  34.458  1.00 14.30 ? 130 PHE B C   1 
ATOM   1755 O O   . PHE B 1 116 ? 2.312   -3.905  34.129  1.00 15.21 ? 130 PHE B O   1 
ATOM   1756 C CB  . PHE B 1 116 ? 4.990   -2.352  33.729  1.00 14.82 ? 130 PHE B CB  1 
ATOM   1757 C CG  . PHE B 1 116 ? 6.228   -1.926  33.002  1.00 13.78 ? 130 PHE B CG  1 
ATOM   1758 C CD1 . PHE B 1 116 ? 6.153   -1.462  31.696  1.00 14.52 ? 130 PHE B CD1 1 
ATOM   1759 C CD2 . PHE B 1 116 ? 7.462   -1.963  33.623  1.00 14.11 ? 130 PHE B CD2 1 
ATOM   1760 C CE1 . PHE B 1 116 ? 7.297   -1.066  31.025  1.00 14.70 ? 130 PHE B CE1 1 
ATOM   1761 C CE2 . PHE B 1 116 ? 8.605   -1.572  32.954  1.00 15.20 ? 130 PHE B CE2 1 
ATOM   1762 C CZ  . PHE B 1 116 ? 8.526   -1.121  31.659  1.00 14.84 ? 130 PHE B CZ  1 
ATOM   1763 N N   . THR B 1 117 ? 3.776   -4.779  35.611  1.00 16.75 ? 131 THR B N   1 
ATOM   1764 C CA  . THR B 1 117 ? 2.777   -5.153  36.609  1.00 18.94 ? 131 THR B CA  1 
ATOM   1765 C C   . THR B 1 117 ? 3.152   -4.558  37.963  1.00 19.75 ? 131 THR B C   1 
ATOM   1766 O O   . THR B 1 117 ? 4.299   -4.167  38.195  1.00 18.53 ? 131 THR B O   1 
ATOM   1767 C CB  . THR B 1 117 ? 2.656   -6.683  36.731  1.00 22.30 ? 131 THR B CB  1 
ATOM   1768 O OG1 . THR B 1 117 ? 3.948   -7.253  36.980  1.00 26.19 ? 131 THR B OG1 1 
ATOM   1769 C CG2 . THR B 1 117 ? 2.092   -7.278  35.456  1.00 24.33 ? 131 THR B CG2 1 
ATOM   1770 N N   . LYS B 1 118 ? 2.159   -4.480  38.861  1.00 20.60 ? 132 LYS B N   1 
ATOM   1771 C CA  . LYS B 1 118 ? 2.366   -3.962  40.212  1.00 22.09 ? 132 LYS B CA  1 
ATOM   1772 C C   . LYS B 1 118 ? 2.948   -5.000  41.160  1.00 25.66 ? 132 LYS B C   1 
ATOM   1773 O O   . LYS B 1 118 ? 3.375   -4.641  42.263  1.00 25.04 ? 132 LYS B O   1 
ATOM   1774 C CB  . LYS B 1 118 ? 1.058   -3.400  40.794  1.00 22.65 ? 132 LYS B CB  1 
ATOM   1775 C CG  . LYS B 1 118 ? 0.653   -2.042  40.221  1.00 26.31 ? 132 LYS B CG  1 
ATOM   1776 C CD  . LYS B 1 118 ? -0.645  -1.504  40.832  1.00 29.70 ? 132 LYS B CD  1 
ATOM   1777 C CE  . LYS B 1 118 ? -1.088  -0.220  40.133  1.00 33.93 ? 132 LYS B CE  1 
ATOM   1778 N NZ  . LYS B 1 118 ? -2.432  0.290   40.549  1.00 35.23 ? 132 LYS B NZ  1 
ATOM   1779 N N   . VAL B 1 119 ? 2.965   -6.270  40.767  1.00 30.61 ? 133 VAL B N   1 
ATOM   1780 C CA  . VAL B 1 119 ? 3.653   -7.319  41.507  1.00 36.51 ? 133 VAL B CA  1 
ATOM   1781 C C   . VAL B 1 119 ? 4.657   -7.974  40.569  1.00 38.94 ? 133 VAL B C   1 
ATOM   1782 O O   . VAL B 1 119 ? 4.392   -8.129  39.372  1.00 40.98 ? 133 VAL B O   1 
ATOM   1783 C CB  . VAL B 1 119 ? 2.667   -8.347  42.109  1.00 39.02 ? 133 VAL B CB  1 
ATOM   1784 C CG1 . VAL B 1 119 ? 1.970   -9.151  41.019  1.00 39.15 ? 133 VAL B CG1 1 
ATOM   1785 C CG2 . VAL B 1 119 ? 3.380   -9.259  43.094  1.00 40.65 ? 133 VAL B CG2 1 
ATOM   1786 N N   . LYS B 1 120 ? 5.818   -8.327  41.103  1.00 41.76 ? 134 LYS B N   1 
ATOM   1787 C CA  . LYS B 1 120 ? 6.886   -8.892  40.286  1.00 45.05 ? 134 LYS B CA  1 
ATOM   1788 C C   . LYS B 1 120 ? 6.574   -10.329 39.881  1.00 45.46 ? 134 LYS B C   1 
ATOM   1789 O O   . LYS B 1 120 ? 5.711   -10.978 40.474  1.00 45.05 ? 134 LYS B O   1 
ATOM   1790 C CB  . LYS B 1 120 ? 8.216   -8.827  41.035  1.00 47.46 ? 134 LYS B CB  1 
ATOM   1791 C CG  . LYS B 1 120 ? 8.149   -9.416  42.432  1.00 49.25 ? 134 LYS B CG  1 
ATOM   1792 C CD  . LYS B 1 120 ? 9.471   -9.271  43.168  1.00 49.87 ? 134 LYS B CD  1 
ATOM   1793 C CE  . LYS B 1 120 ? 9.762   -7.823  43.512  1.00 50.05 ? 134 LYS B CE  1 
ATOM   1794 N NZ  . LYS B 1 120 ? 11.059  -7.687  44.231  1.00 50.22 ? 134 LYS B NZ  1 
ATOM   1795 N N   . GLY C 1 2   ? 24.533  22.881  19.954  1.00 31.66 ? 16  GLY C N   1 
ATOM   1796 C CA  . GLY C 1 2   ? 24.140  21.565  20.421  1.00 28.34 ? 16  GLY C CA  1 
ATOM   1797 C C   . GLY C 1 2   ? 22.656  21.300  20.252  1.00 25.09 ? 16  GLY C C   1 
ATOM   1798 O O   . GLY C 1 2   ? 22.042  21.753  19.288  1.00 26.61 ? 16  GLY C O   1 
ATOM   1799 N N   . ILE C 1 3   ? 22.078  20.574  21.209  1.00 23.20 ? 17  ILE C N   1 
ATOM   1800 C CA  . ILE C 1 3   ? 20.668  20.198  21.126  1.00 21.07 ? 17  ILE C CA  1 
ATOM   1801 C C   . ILE C 1 3   ? 19.761  21.377  21.463  1.00 20.44 ? 17  ILE C C   1 
ATOM   1802 O O   . ILE C 1 3   ? 18.696  21.545  20.860  1.00 21.93 ? 17  ILE C O   1 
ATOM   1803 C CB  . ILE C 1 3   ? 20.395  18.975  22.022  1.00 21.52 ? 17  ILE C CB  1 
ATOM   1804 C CG1 . ILE C 1 3   ? 21.116  17.742  21.466  1.00 22.12 ? 17  ILE C CG1 1 
ATOM   1805 C CG2 . ILE C 1 3   ? 18.895  18.728  22.167  1.00 20.76 ? 17  ILE C CG2 1 
ATOM   1806 C CD1 . ILE C 1 3   ? 21.245  16.619  22.457  1.00 21.44 ? 17  ILE C CD1 1 
ATOM   1807 N N   . THR C 1 4   ? 20.153  22.200  22.434  1.00 19.59 ? 18  THR C N   1 
ATOM   1808 C CA  . THR C 1 4   ? 19.329  23.336  22.832  1.00 20.59 ? 18  THR C CA  1 
ATOM   1809 C C   . THR C 1 4   ? 19.059  24.241  21.634  1.00 21.50 ? 18  THR C C   1 
ATOM   1810 O O   . THR C 1 4   ? 19.987  24.629  20.920  1.00 23.30 ? 18  THR C O   1 
ATOM   1811 C CB  . THR C 1 4   ? 20.064  24.126  23.920  1.00 20.68 ? 18  THR C CB  1 
ATOM   1812 O OG1 . THR C 1 4   ? 20.200  23.321  25.101  1.00 21.80 ? 18  THR C OG1 1 
ATOM   1813 C CG2 . THR C 1 4   ? 19.315  25.406  24.272  1.00 21.38 ? 18  THR C CG2 1 
ATOM   1814 N N   . GLY C 1 5   ? 17.794  24.570  21.409  1.00 19.73 ? 19  GLY C N   1 
ATOM   1815 C CA  . GLY C 1 5   ? 17.427  25.469  20.333  1.00 20.51 ? 19  GLY C CA  1 
ATOM   1816 C C   . GLY C 1 5   ? 16.028  25.181  19.824  1.00 20.04 ? 19  GLY C C   1 
ATOM   1817 O O   . GLY C 1 5   ? 15.261  24.440  20.432  1.00 20.89 ? 19  GLY C O   1 
ATOM   1818 N N   . THR C 1 6   ? 15.703  25.798  18.691  1.00 19.86 ? 20  THR C N   1 
ATOM   1819 C CA  . THR C 1 6   ? 14.416  25.607  18.034  1.00 20.60 ? 20  THR C CA  1 
ATOM   1820 C C   . THR C 1 6   ? 14.628  24.786  16.771  1.00 21.16 ? 20  THR C C   1 
ATOM   1821 O O   . THR C 1 6   ? 15.470  25.134  15.937  1.00 21.36 ? 20  THR C O   1 
ATOM   1822 C CB  . THR C 1 6   ? 13.765  26.950  17.690  1.00 22.36 ? 20  THR C CB  1 
ATOM   1823 O OG1 . THR C 1 6   ? 13.384  27.622  18.898  1.00 23.55 ? 20  THR C OG1 1 
ATOM   1824 C CG2 . THR C 1 6   ? 12.527  26.742  16.828  1.00 24.22 ? 20  THR C CG2 1 
ATOM   1825 N N   . TRP C 1 7   ? 13.868  23.700  16.644  1.00 19.41 ? 21  TRP C N   1 
ATOM   1826 C CA  . TRP C 1 7   ? 13.983  22.751  15.548  1.00 18.17 ? 21  TRP C CA  1 
ATOM   1827 C C   . TRP C 1 7   ? 12.633  22.611  14.858  1.00 18.42 ? 21  TRP C C   1 
ATOM   1828 O O   . TRP C 1 7   ? 11.580  22.868  15.450  1.00 20.61 ? 21  TRP C O   1 
ATOM   1829 C CB  . TRP C 1 7   ? 14.393  21.373  16.083  1.00 18.88 ? 21  TRP C CB  1 
ATOM   1830 C CG  . TRP C 1 7   ? 15.722  21.320  16.785  1.00 18.66 ? 21  TRP C CG  1 
ATOM   1831 C CD1 . TRP C 1 7   ? 15.975  21.623  18.098  1.00 18.90 ? 21  TRP C CD1 1 
ATOM   1832 C CD2 . TRP C 1 7   ? 16.975  20.910  16.220  1.00 18.01 ? 21  TRP C CD2 1 
ATOM   1833 N NE1 . TRP C 1 7   ? 17.307  21.431  18.379  1.00 17.79 ? 21  TRP C NE1 1 
ATOM   1834 C CE2 . TRP C 1 7   ? 17.945  21.000  17.244  1.00 17.61 ? 21  TRP C CE2 1 
ATOM   1835 C CE3 . TRP C 1 7   ? 17.371  20.480  14.947  1.00 18.67 ? 21  TRP C CE3 1 
ATOM   1836 C CZ2 . TRP C 1 7   ? 19.287  20.667  17.036  1.00 18.26 ? 21  TRP C CZ2 1 
ATOM   1837 C CZ3 . TRP C 1 7   ? 18.708  20.159  14.737  1.00 18.48 ? 21  TRP C CZ3 1 
ATOM   1838 C CH2 . TRP C 1 7   ? 19.649  20.255  15.779  1.00 19.09 ? 21  TRP C CH2 1 
ATOM   1839 N N   . TYR C 1 8   ? 12.669  22.177  13.599  1.00 17.09 ? 22  TYR C N   1 
ATOM   1840 C CA  . TYR C 1 8   ? 11.468  22.002  12.794  1.00 18.63 ? 22  TYR C CA  1 
ATOM   1841 C C   . TYR C 1 8   ? 11.523  20.636  12.131  1.00 19.19 ? 22  TYR C C   1 
ATOM   1842 O O   . TYR C 1 8   ? 12.563  20.254  11.581  1.00 17.63 ? 22  TYR C O   1 
ATOM   1843 C CB  . TYR C 1 8   ? 11.394  23.083  11.716  1.00 19.71 ? 22  TYR C CB  1 
ATOM   1844 C CG  . TYR C 1 8   ? 11.467  24.493  12.253  1.00 22.18 ? 22  TYR C CG  1 
ATOM   1845 C CD1 . TYR C 1 8   ? 10.355  25.093  12.826  1.00 23.12 ? 22  TYR C CD1 1 
ATOM   1846 C CD2 . TYR C 1 8   ? 12.651  25.210  12.211  1.00 23.71 ? 22  TYR C CD2 1 
ATOM   1847 C CE1 . TYR C 1 8   ? 10.417  26.389  13.320  1.00 24.63 ? 22  TYR C CE1 1 
ATOM   1848 C CE2 . TYR C 1 8   ? 12.724  26.509  12.703  1.00 24.38 ? 22  TYR C CE2 1 
ATOM   1849 C CZ  . TYR C 1 8   ? 11.604  27.087  13.262  1.00 26.73 ? 22  TYR C CZ  1 
ATOM   1850 O OH  . TYR C 1 8   ? 11.667  28.378  13.752  1.00 28.39 ? 22  TYR C OH  1 
ATOM   1851 N N   . ASN C 1 9   ? 10.416  19.899  12.180  1.00 18.45 ? 23  ASN C N   1 
ATOM   1852 C CA  . ASN C 1 9   ? 10.423  18.627  11.470  1.00 19.74 ? 23  ASN C CA  1 
ATOM   1853 C C   . ASN C 1 9   ? 10.084  18.835  9.994   1.00 20.22 ? 23  ASN C C   1 
ATOM   1854 O O   . ASN C 1 9   ? 9.859   19.958  9.526   1.00 19.27 ? 23  ASN C O   1 
ATOM   1855 C CB  . ASN C 1 9   ? 9.611   17.544  12.190  1.00 21.42 ? 23  ASN C CB  1 
ATOM   1856 C CG  . ASN C 1 9   ? 8.101   17.646  11.963  1.00 20.83 ? 23  ASN C CG  1 
ATOM   1857 O OD1 . ASN C 1 9   ? 7.601   18.542  11.280  1.00 20.74 ? 23  ASN C OD1 1 
ATOM   1858 N ND2 . ASN C 1 9   ? 7.368   16.692  12.536  1.00 21.03 ? 23  ASN C ND2 1 
ATOM   1859 N N   . GLN C 1 10  ? 10.072  17.730  9.249   1.00 18.97 ? 24  GLN C N   1 
ATOM   1860 C CA  . GLN C 1 10  ? 9.851   17.775  7.810   1.00 21.45 ? 24  GLN C CA  1 
ATOM   1861 C C   . GLN C 1 10  ? 8.434   18.193  7.437   1.00 22.99 ? 24  GLN C C   1 
ATOM   1862 O O   . GLN C 1 10  ? 8.194   18.525  6.269   1.00 25.87 ? 24  GLN C O   1 
ATOM   1863 C CB  . GLN C 1 10  ? 10.198  16.417  7.185   1.00 22.35 ? 24  GLN C CB  1 
ATOM   1864 C CG  . GLN C 1 10  ? 9.188   15.279  7.449   1.00 20.53 ? 24  GLN C CG  1 
ATOM   1865 C CD  . GLN C 1 10  ? 9.216   14.709  8.870   1.00 20.87 ? 24  GLN C CD  1 
ATOM   1866 O OE1 . GLN C 1 10  ? 10.126  14.976  9.668   1.00 20.00 ? 24  GLN C OE1 1 
ATOM   1867 N NE2 . GLN C 1 10  ? 8.206   13.904  9.185   1.00 22.02 ? 24  GLN C NE2 1 
ATOM   1868 N N   . LEU C 1 11  ? 7.501   18.186  8.392   1.00 22.10 ? 25  LEU C N   1 
ATOM   1869 C CA  . LEU C 1 11  ? 6.124   18.600  8.167   1.00 23.16 ? 25  LEU C CA  1 
ATOM   1870 C C   . LEU C 1 11  ? 5.808   19.971  8.750   1.00 25.65 ? 25  LEU C C   1 
ATOM   1871 O O   . LEU C 1 11  ? 4.666   20.422  8.644   1.00 29.10 ? 25  LEU C O   1 
ATOM   1872 C CB  . LEU C 1 11  ? 5.152   17.562  8.737   1.00 24.15 ? 25  LEU C CB  1 
ATOM   1873 C CG  . LEU C 1 11  ? 5.213   16.169  8.108   1.00 25.58 ? 25  LEU C CG  1 
ATOM   1874 C CD1 . LEU C 1 11  ? 4.226   15.216  8.777   1.00 24.59 ? 25  LEU C CD1 1 
ATOM   1875 C CD2 . LEU C 1 11  ? 4.963   16.241  6.603   1.00 26.14 ? 25  LEU C CD2 1 
ATOM   1876 N N   . GLY C 1 12  ? 6.779   20.636  9.371   1.00 25.32 ? 26  GLY C N   1 
ATOM   1877 C CA  . GLY C 1 12  ? 6.589   21.987  9.861   1.00 25.15 ? 26  GLY C CA  1 
ATOM   1878 C C   . GLY C 1 12  ? 6.289   22.120  11.341  1.00 26.09 ? 26  GLY C C   1 
ATOM   1879 O O   . GLY C 1 12  ? 6.059   23.245  11.808  1.00 28.80 ? 26  GLY C O   1 
ATOM   1880 N N   . SER C 1 13  ? 6.278   21.024  12.094  1.00 24.44 ? 27  SER C N   1 
ATOM   1881 C CA  . SER C 1 13  ? 6.119   21.134  13.538  1.00 23.56 ? 27  SER C CA  1 
ATOM   1882 C C   . SER C 1 13  ? 7.328   21.839  14.142  1.00 22.81 ? 27  SER C C   1 
ATOM   1883 O O   . SER C 1 13  ? 8.423   21.826  13.576  1.00 25.67 ? 27  SER C O   1 
ATOM   1884 C CB  . SER C 1 13  ? 5.975   19.749  14.161  1.00 26.55 ? 27  SER C CB  1 
ATOM   1885 O OG  . SER C 1 13  ? 4.806   19.105  13.681  1.00 30.20 ? 27  SER C OG  1 
ATOM   1886 N N   . THR C 1 14  ? 7.123   22.465  15.302  1.00 20.99 ? 28  THR C N   1 
ATOM   1887 C CA  . THR C 1 14  ? 8.156   23.257  15.962  1.00 20.49 ? 28  THR C CA  1 
ATOM   1888 C C   . THR C 1 14  ? 8.487   22.653  17.317  1.00 19.50 ? 28  THR C C   1 
ATOM   1889 O O   . THR C 1 14  ? 7.607   22.519  18.173  1.00 20.83 ? 28  THR C O   1 
ATOM   1890 C CB  . THR C 1 14  ? 7.725   24.712  16.142  1.00 22.75 ? 28  THR C CB  1 
ATOM   1891 O OG1 . THR C 1 14  ? 7.351   25.249  14.875  1.00 23.71 ? 28  THR C OG1 1 
ATOM   1892 C CG2 . THR C 1 14  ? 8.875   25.535  16.711  1.00 22.97 ? 28  THR C CG2 1 
ATOM   1893 N N   . PHE C 1 15  ? 9.766   22.347  17.513  1.00 17.86 ? 29  PHE C N   1 
ATOM   1894 C CA  . PHE C 1 15  ? 10.301  21.647  18.679  1.00 18.05 ? 29  PHE C CA  1 
ATOM   1895 C C   . PHE C 1 15  ? 11.264  22.624  19.344  1.00 19.49 ? 29  PHE C C   1 
ATOM   1896 O O   . PHE C 1 15  ? 12.349  22.892  18.815  1.00 20.75 ? 29  PHE C O   1 
ATOM   1897 C CB  . PHE C 1 15  ? 11.005  20.383  18.167  1.00 19.07 ? 29  PHE C CB  1 
ATOM   1898 C CG  . PHE C 1 15  ? 11.791  19.603  19.198  1.00 17.57 ? 29  PHE C CG  1 
ATOM   1899 C CD1 . PHE C 1 15  ? 11.293  19.349  20.465  1.00 18.55 ? 29  PHE C CD1 1 
ATOM   1900 C CD2 . PHE C 1 15  ? 13.013  19.041  18.844  1.00 18.02 ? 29  PHE C CD2 1 
ATOM   1901 C CE1 . PHE C 1 15  ? 12.029  18.594  21.387  1.00 17.10 ? 29  PHE C CE1 1 
ATOM   1902 C CE2 . PHE C 1 15  ? 13.755  18.293  19.752  1.00 19.34 ? 29  PHE C CE2 1 
ATOM   1903 C CZ  . PHE C 1 15  ? 13.256  18.058  21.026  1.00 17.13 ? 29  PHE C CZ  1 
ATOM   1904 N N   . ILE C 1 16  ? 10.849  23.202  20.472  1.00 17.67 ? 30  ILE C N   1 
ATOM   1905 C CA  . ILE C 1 16  ? 11.654  24.182  21.202  1.00 18.63 ? 30  ILE C CA  1 
ATOM   1906 C C   . ILE C 1 16  ? 12.165  23.474  22.443  1.00 17.89 ? 30  ILE C C   1 
ATOM   1907 O O   . ILE C 1 16  ? 11.379  23.118  23.328  1.00 20.53 ? 30  ILE C O   1 
ATOM   1908 C CB  . ILE C 1 16  ? 10.848  25.434  21.583  1.00 21.75 ? 30  ILE C CB  1 
ATOM   1909 C CG1 . ILE C 1 16  ? 10.236  26.093  20.347  1.00 23.01 ? 30  ILE C CG1 1 
ATOM   1910 C CG2 . ILE C 1 16  ? 11.736  26.429  22.333  1.00 23.12 ? 30  ILE C CG2 1 
ATOM   1911 C CD1 . ILE C 1 16  ? 9.324   27.257  20.676  1.00 25.08 ? 30  ILE C CD1 1 
ATOM   1912 N N   . VAL C 1 17  ? 13.470  23.249  22.520  1.00 17.19 ? 31  VAL C N   1 
ATOM   1913 C CA  . VAL C 1 17  ? 14.012  22.350  23.529  1.00 17.44 ? 31  VAL C CA  1 
ATOM   1914 C C   . VAL C 1 17  ? 15.217  22.983  24.210  1.00 19.00 ? 31  VAL C C   1 
ATOM   1915 O O   . VAL C 1 17  ? 15.974  23.753  23.607  1.00 19.75 ? 31  VAL C O   1 
ATOM   1916 C CB  . VAL C 1 17  ? 14.362  20.968  22.918  1.00 19.09 ? 31  VAL C CB  1 
ATOM   1917 C CG1 . VAL C 1 17  ? 15.545  21.079  21.949  1.00 19.28 ? 31  VAL C CG1 1 
ATOM   1918 C CG2 . VAL C 1 17  ? 14.615  19.914  24.009  1.00 20.67 ? 31  VAL C CG2 1 
ATOM   1919 N N   . THR C 1 18  ? 15.382  22.659  25.491  1.00 19.72 ? 32  THR C N   1 
ATOM   1920 C CA  . THR C 1 18  ? 16.586  22.990  26.234  1.00 21.27 ? 32  THR C CA  1 
ATOM   1921 C C   . THR C 1 18  ? 17.184  21.693  26.759  1.00 19.96 ? 32  THR C C   1 
ATOM   1922 O O   . THR C 1 18  ? 16.470  20.856  27.329  1.00 18.59 ? 32  THR C O   1 
ATOM   1923 C CB  . THR C 1 18  ? 16.284  23.959  27.382  1.00 24.79 ? 32  THR C CB  1 
ATOM   1924 O OG1 . THR C 1 18  ? 15.683  25.156  26.862  1.00 26.30 ? 32  THR C OG1 1 
ATOM   1925 C CG2 . THR C 1 18  ? 17.563  24.334  28.102  1.00 25.99 ? 32  THR C CG2 1 
ATOM   1926 N N   . ALA C 1 19  ? 18.477  21.512  26.525  1.00 20.40 ? 33  ALA C N   1 
ATOM   1927 C CA  . ALA C 1 19  ? 19.227  20.366  27.023  1.00 20.74 ? 33  ALA C CA  1 
ATOM   1928 C C   . ALA C 1 19  ? 20.003  20.834  28.247  1.00 22.37 ? 33  ALA C C   1 
ATOM   1929 O O   . ALA C 1 19  ? 20.941  21.632  28.128  1.00 23.49 ? 33  ALA C O   1 
ATOM   1930 C CB  . ALA C 1 19  ? 20.175  19.842  25.944  1.00 20.97 ? 33  ALA C CB  1 
ATOM   1931 N N   . GLY C 1 20  ? 19.605  20.344  29.420  1.00 22.60 ? 34  GLY C N   1 
ATOM   1932 C CA  . GLY C 1 20  ? 20.192  20.797  30.661  1.00 25.05 ? 34  GLY C CA  1 
ATOM   1933 C C   . GLY C 1 20  ? 21.423  20.011  31.054  1.00 25.31 ? 34  GLY C C   1 
ATOM   1934 O O   . GLY C 1 20  ? 21.713  18.947  30.518  1.00 25.87 ? 34  GLY C O   1 
ATOM   1935 N N   . ALA C 1 21  ? 22.157  20.559  32.026  1.00 27.39 ? 35  ALA C N   1 
ATOM   1936 C CA  . ALA C 1 21  ? 23.400  19.933  32.460  1.00 29.14 ? 35  ALA C CA  1 
ATOM   1937 C C   . ALA C 1 21  ? 23.192  18.525  33.010  1.00 29.13 ? 35  ALA C C   1 
ATOM   1938 O O   . ALA C 1 21  ? 24.124  17.715  32.970  1.00 32.02 ? 35  ALA C O   1 
ATOM   1939 C CB  . ALA C 1 21  ? 24.082  20.809  33.513  1.00 30.55 ? 35  ALA C CB  1 
ATOM   1940 N N   . ASP C 1 22  ? 21.996  18.211  33.506  1.00 26.15 ? 36  ASP C N   1 
ATOM   1941 C CA  . ASP C 1 22  ? 21.722  16.946  34.173  1.00 26.63 ? 36  ASP C CA  1 
ATOM   1942 C C   . ASP C 1 22  ? 21.177  15.874  33.232  1.00 25.06 ? 36  ASP C C   1 
ATOM   1943 O O   . ASP C 1 22  ? 20.637  14.866  33.706  1.00 27.12 ? 36  ASP C O   1 
ATOM   1944 C CB  . ASP C 1 22  ? 20.736  17.171  35.319  1.00 28.16 ? 36  ASP C CB  1 
ATOM   1945 C CG  . ASP C 1 22  ? 19.407  17.719  34.837  1.00 31.45 ? 36  ASP C CG  1 
ATOM   1946 O OD1 . ASP C 1 22  ? 19.388  18.370  33.769  1.00 31.69 ? 36  ASP C OD1 1 
ATOM   1947 O OD2 . ASP C 1 22  ? 18.383  17.494  35.518  1.00 34.15 ? 36  ASP C OD2 1 
ATOM   1948 N N   . GLY C 1 23  ? 21.300  16.062  31.920  1.00 21.56 ? 37  GLY C N   1 
ATOM   1949 C CA  . GLY C 1 23  ? 20.734  15.124  30.969  1.00 18.55 ? 37  GLY C CA  1 
ATOM   1950 C C   . GLY C 1 23  ? 19.267  15.331  30.652  1.00 17.22 ? 37  GLY C C   1 
ATOM   1951 O O   . GLY C 1 23  ? 18.680  14.508  29.938  1.00 16.29 ? 37  GLY C O   1 
ATOM   1952 N N   . ALA C 1 24  ? 18.658  16.402  31.150  1.00 17.51 ? 38  ALA C N   1 
ATOM   1953 C CA  . ALA C 1 24  ? 17.236  16.660  30.961  1.00 17.13 ? 38  ALA C CA  1 
ATOM   1954 C C   . ALA C 1 24  ? 16.974  17.363  29.633  1.00 16.11 ? 38  ALA C C   1 
ATOM   1955 O O   . ALA C 1 24  ? 17.723  18.262  29.235  1.00 17.69 ? 38  ALA C O   1 
ATOM   1956 C CB  . ALA C 1 24  ? 16.721  17.546  32.098  1.00 21.01 ? 38  ALA C CB  1 
ATOM   1957 N N   . LEU C 1 25  ? 15.906  16.947  28.953  1.00 16.05 ? 39  LEU C N   1 
ATOM   1958 C CA  . LEU C 1 25  ? 15.295  17.720  27.879  1.00 15.15 ? 39  LEU C CA  1 
ATOM   1959 C C   . LEU C 1 25  ? 13.979  18.295  28.385  1.00 16.38 ? 39  LEU C C   1 
ATOM   1960 O O   . LEU C 1 25  ? 13.175  17.573  28.984  1.00 17.47 ? 39  LEU C O   1 
ATOM   1961 C CB  . LEU C 1 25  ? 15.014  16.853  26.649  1.00 14.58 ? 39  LEU C CB  1 
ATOM   1962 C CG  . LEU C 1 25  ? 16.203  16.183  25.952  1.00 14.01 ? 39  LEU C CG  1 
ATOM   1963 C CD1 . LEU C 1 25  ? 15.732  15.388  24.747  1.00 14.60 ? 39  LEU C CD1 1 
ATOM   1964 C CD2 . LEU C 1 25  ? 17.249  17.202  25.538  1.00 15.10 ? 39  LEU C CD2 1 
ATOM   1965 N N   . THR C 1 26  ? 13.779  19.595  28.170  1.00 16.54 ? 40  THR C N   1 
ATOM   1966 C CA  . THR C 1 26  ? 12.541  20.275  28.536  1.00 16.19 ? 40  THR C CA  1 
ATOM   1967 C C   . THR C 1 26  ? 12.168  21.234  27.415  1.00 16.30 ? 40  THR C C   1 
ATOM   1968 O O   . THR C 1 26  ? 13.039  21.738  26.700  1.00 19.99 ? 40  THR C O   1 
ATOM   1969 C CB  . THR C 1 26  ? 12.679  21.064  29.860  1.00 18.17 ? 40  THR C CB  1 
ATOM   1970 O OG1 . THR C 1 26  ? 13.624  22.126  29.697  1.00 20.86 ? 40  THR C OG1 1 
ATOM   1971 C CG2 . THR C 1 26  ? 13.147  20.174  30.997  1.00 18.60 ? 40  THR C CG2 1 
ATOM   1972 N N   . GLY C 1 27  ? 10.879  21.509  27.274  1.00 15.89 ? 41  GLY C N   1 
ATOM   1973 C CA  . GLY C 1 27  ? 10.506  22.497  26.268  1.00 17.40 ? 41  GLY C CA  1 
ATOM   1974 C C   . GLY C 1 27  ? 9.061   22.328  25.827  1.00 17.49 ? 41  GLY C C   1 
ATOM   1975 O O   . GLY C 1 27  ? 8.220   21.851  26.589  1.00 18.11 ? 41  GLY C O   1 
ATOM   1976 N N   . THR C 1 28  ? 8.792   22.757  24.585  1.00 18.26 ? 42  THR C N   1 
ATOM   1977 C CA  . THR C 1 28  ? 7.445   22.738  24.026  1.00 18.83 ? 42  THR C CA  1 
ATOM   1978 C C   . THR C 1 28  ? 7.451   22.167  22.615  1.00 17.81 ? 42  THR C C   1 
ATOM   1979 O O   . THR C 1 28  ? 8.447   22.256  21.893  1.00 19.11 ? 42  THR C O   1 
ATOM   1980 C CB  . THR C 1 28  ? 6.770   24.137  24.025  1.00 20.63 ? 42  THR C CB  1 
ATOM   1981 O OG1 . THR C 1 28  ? 7.506   25.055  23.202  1.00 23.01 ? 42  THR C OG1 1 
ATOM   1982 C CG2 . THR C 1 28  ? 6.681   24.684  25.434  1.00 19.12 ? 42  THR C CG2 1 
ATOM   1983 N N   . TYR C 1 29  ? 6.324   21.567  22.234  1.00 16.85 ? 43  TYR C N   1 
ATOM   1984 C CA  . TYR C 1 29  ? 6.145   21.016  20.898  1.00 16.39 ? 43  TYR C CA  1 
ATOM   1985 C C   . TYR C 1 29  ? 4.853   21.578  20.332  1.00 19.13 ? 43  TYR C C   1 
ATOM   1986 O O   . TYR C 1 29  ? 3.821   21.573  21.011  1.00 19.10 ? 43  TYR C O   1 
ATOM   1987 C CB  . TYR C 1 29  ? 6.080   19.478  20.928  1.00 17.32 ? 43  TYR C CB  1 
ATOM   1988 C CG  . TYR C 1 29  ? 6.395   18.822  19.588  1.00 17.51 ? 43  TYR C CG  1 
ATOM   1989 C CD1 . TYR C 1 29  ? 5.400   18.602  18.637  1.00 18.15 ? 43  TYR C CD1 1 
ATOM   1990 C CD2 . TYR C 1 29  ? 7.687   18.437  19.272  1.00 18.82 ? 43  TYR C CD2 1 
ATOM   1991 C CE1 . TYR C 1 29  ? 5.697   18.014  17.410  1.00 18.21 ? 43  TYR C CE1 1 
ATOM   1992 C CE2 . TYR C 1 29  ? 7.988   17.845  18.052  1.00 19.48 ? 43  TYR C CE2 1 
ATOM   1993 C CZ  . TYR C 1 29  ? 6.991   17.638  17.128  1.00 18.62 ? 43  TYR C CZ  1 
ATOM   1994 O OH  . TYR C 1 29  ? 7.291   17.051  15.918  1.00 20.16 ? 43  TYR C OH  1 
ATOM   1995 N N   . GLU C 1 30  ? 4.915   22.057  19.094  1.00 21.68 ? 44  GLU C N   1 
ATOM   1996 C CA  . GLU C 1 30  ? 3.763   22.585  18.379  1.00 26.40 ? 44  GLU C CA  1 
ATOM   1997 C C   . GLU C 1 30  ? 3.610   21.756  17.113  1.00 28.89 ? 44  GLU C C   1 
ATOM   1998 O O   . GLU C 1 30  ? 4.518   21.726  16.278  1.00 27.15 ? 44  GLU C O   1 
ATOM   1999 C CB  . GLU C 1 30  ? 4.001   24.053  18.030  1.00 31.51 ? 44  GLU C CB  1 
ATOM   2000 C CG  . GLU C 1 30  ? 2.760   24.840  17.669  1.00 37.79 ? 44  GLU C CG  1 
ATOM   2001 C CD  . GLU C 1 30  ? 3.036   26.331  17.591  1.00 42.97 ? 44  GLU C CD  1 
ATOM   2002 O OE1 . GLU C 1 30  ? 4.123   26.717  17.115  1.00 45.50 ? 44  GLU C OE1 1 
ATOM   2003 O OE2 . GLU C 1 30  ? 2.173   27.120  18.023  1.00 45.76 ? 44  GLU C OE2 1 
ATOM   2004 N N   . SER C 1 31  ? 2.485   21.060  16.987  1.00 32.02 ? 45  SER C N   1 
ATOM   2005 C CA  . SER C 1 31  ? 2.261   20.179  15.847  1.00 36.42 ? 45  SER C CA  1 
ATOM   2006 C C   . SER C 1 31  ? 1.481   20.911  14.759  1.00 39.50 ? 45  SER C C   1 
ATOM   2007 O O   . SER C 1 31  ? 1.532   22.142  14.672  1.00 41.25 ? 45  SER C O   1 
ATOM   2008 C CB  . SER C 1 31  ? 1.519   18.914  16.289  1.00 38.19 ? 45  SER C CB  1 
ATOM   2009 O OG  . SER C 1 31  ? 1.178   18.098  15.181  1.00 40.79 ? 45  SER C OG  1 
ATOM   2010 N N   . GLY C 1 34  ? 0.438   26.656  14.013  1.00 59.80 ? 48  GLY C N   1 
ATOM   2011 C CA  . GLY C 1 34  ? 1.406   27.442  14.755  1.00 60.38 ? 48  GLY C CA  1 
ATOM   2012 C C   . GLY C 1 34  ? 0.789   28.489  15.663  1.00 60.93 ? 48  GLY C C   1 
ATOM   2013 O O   . GLY C 1 34  ? 1.183   29.656  15.630  1.00 61.65 ? 48  GLY C O   1 
ATOM   2014 N N   . ASN C 1 35  ? -0.174  28.072  16.482  1.00 60.35 ? 49  ASN C N   1 
ATOM   2015 C CA  . ASN C 1 35  ? -0.871  28.955  17.405  1.00 60.13 ? 49  ASN C CA  1 
ATOM   2016 C C   . ASN C 1 35  ? -0.736  28.435  18.832  1.00 59.12 ? 49  ASN C C   1 
ATOM   2017 O O   . ASN C 1 35  ? -0.256  27.326  19.075  1.00 59.52 ? 49  ASN C O   1 
ATOM   2018 C CB  . ASN C 1 35  ? -2.353  29.090  17.032  1.00 61.26 ? 49  ASN C CB  1 
ATOM   2019 C CG  . ASN C 1 35  ? -3.163  27.867  17.413  1.00 62.12 ? 49  ASN C CG  1 
ATOM   2020 O OD1 . ASN C 1 35  ? -4.058  27.940  18.256  1.00 62.26 ? 49  ASN C OD1 1 
ATOM   2021 N ND2 . ASN C 1 35  ? -2.854  26.733  16.792  1.00 62.59 ? 49  ASN C ND2 1 
ATOM   2022 N N   . ALA C 1 36  ? -1.193  29.255  19.784  1.00 57.59 ? 50  ALA C N   1 
ATOM   2023 C CA  . ALA C 1 36  ? -0.995  28.944  21.197  1.00 54.93 ? 50  ALA C CA  1 
ATOM   2024 C C   . ALA C 1 36  ? -1.686  27.643  21.593  1.00 51.71 ? 50  ALA C C   1 
ATOM   2025 O O   . ALA C 1 36  ? -1.110  26.821  22.317  1.00 50.13 ? 50  ALA C O   1 
ATOM   2026 C CB  . ALA C 1 36  ? -1.489  30.104  22.062  1.00 55.29 ? 50  ALA C CB  1 
ATOM   2027 N N   . GLU C 1 37  ? -2.918  27.433  21.124  1.00 49.31 ? 51  GLU C N   1 
ATOM   2028 C CA  . GLU C 1 37  ? -3.685  26.251  21.505  1.00 45.85 ? 51  GLU C CA  1 
ATOM   2029 C C   . GLU C 1 37  ? -3.146  24.959  20.899  1.00 41.54 ? 51  GLU C C   1 
ATOM   2030 O O   . GLU C 1 37  ? -3.712  23.891  21.166  1.00 39.14 ? 51  GLU C O   1 
ATOM   2031 C CB  . GLU C 1 37  ? -5.161  26.440  21.148  0.58 46.93 ? 51  GLU C CB  1 
ATOM   2032 C CG  . GLU C 1 37  ? -5.769  27.702  21.736  0.62 47.48 ? 51  GLU C CG  1 
ATOM   2033 C CD  . GLU C 1 37  ? -7.244  27.844  21.420  0.33 48.24 ? 51  GLU C CD  1 
ATOM   2034 O OE1 . GLU C 1 37  ? -7.822  26.904  20.835  0.44 48.78 ? 51  GLU C OE1 1 
ATOM   2035 O OE2 . GLU C 1 37  ? -7.824  28.898  21.756  0.42 48.15 ? 51  GLU C OE2 1 
ATOM   2036 N N   . SER C 1 38  ? -2.082  25.023  20.099  1.00 39.78 ? 52  SER C N   1 
ATOM   2037 C CA  . SER C 1 38  ? -1.428  23.834  19.568  1.00 38.12 ? 52  SER C CA  1 
ATOM   2038 C C   . SER C 1 38  ? -0.064  23.573  20.205  1.00 33.70 ? 52  SER C C   1 
ATOM   2039 O O   . SER C 1 38  ? 0.715   22.781  19.665  1.00 35.49 ? 52  SER C O   1 
ATOM   2040 C CB  . SER C 1 38  ? -1.306  23.924  18.044  1.00 40.60 ? 52  SER C CB  1 
ATOM   2041 O OG  . SER C 1 38  ? -0.607  25.092  17.657  0.71 41.26 ? 52  SER C OG  1 
ATOM   2042 N N   . ARG C 1 39  ? 0.246   24.212  21.332  1.00 29.56 ? 53  ARG C N   1 
ATOM   2043 C CA  . ARG C 1 39  ? 1.525   24.027  22.011  1.00 28.30 ? 53  ARG C CA  1 
ATOM   2044 C C   . ARG C 1 39  ? 1.356   23.092  23.204  1.00 22.96 ? 53  ARG C C   1 
ATOM   2045 O O   . ARG C 1 39  ? 0.384   23.205  23.959  1.00 22.33 ? 53  ARG C O   1 
ATOM   2046 C CB  . ARG C 1 39  ? 2.083   25.374  22.476  1.00 31.95 ? 53  ARG C CB  1 
ATOM   2047 C CG  . ARG C 1 39  ? 3.601   25.415  22.550  1.00 34.94 ? 53  ARG C CG  1 
ATOM   2048 C CD  . ARG C 1 39  ? 4.133   26.814  22.839  1.00 39.05 ? 53  ARG C CD  1 
ATOM   2049 N NE  . ARG C 1 39  ? 3.613   27.813  21.913  1.00 43.82 ? 53  ARG C NE  1 
ATOM   2050 C CZ  . ARG C 1 39  ? 2.799   28.803  22.255  1.00 46.58 ? 53  ARG C CZ  1 
ATOM   2051 N NH1 . ARG C 1 39  ? 2.408   28.975  23.508  1.00 48.42 ? 53  ARG C NH1 1 
ATOM   2052 N NH2 . ARG C 1 39  ? 2.371   29.645  21.318  1.00 47.13 ? 53  ARG C NH2 1 
ATOM   2053 N N   . TYR C 1 40  ? 2.305   22.161  23.366  1.00 18.88 ? 54  TYR C N   1 
ATOM   2054 C CA  . TYR C 1 40  ? 2.224   21.115  24.379  1.00 16.26 ? 54  TYR C CA  1 
ATOM   2055 C C   . TYR C 1 40  ? 3.562   20.971  25.095  1.00 17.07 ? 54  TYR C C   1 
ATOM   2056 O O   . TYR C 1 40  ? 4.620   21.211  24.511  1.00 18.78 ? 54  TYR C O   1 
ATOM   2057 C CB  . TYR C 1 40  ? 1.842   19.760  23.744  1.00 16.69 ? 54  TYR C CB  1 
ATOM   2058 C CG  . TYR C 1 40  ? 0.481   19.763  23.070  1.00 17.90 ? 54  TYR C CG  1 
ATOM   2059 C CD1 . TYR C 1 40  ? 0.314   20.266  21.784  1.00 19.18 ? 54  TYR C CD1 1 
ATOM   2060 C CD2 . TYR C 1 40  ? -0.631  19.245  23.716  1.00 17.25 ? 54  TYR C CD2 1 
ATOM   2061 C CE1 . TYR C 1 40  ? -0.928  20.274  21.172  1.00 19.48 ? 54  TYR C CE1 1 
ATOM   2062 C CE2 . TYR C 1 40  ? -1.881  19.245  23.110  1.00 18.62 ? 54  TYR C CE2 1 
ATOM   2063 C CZ  . TYR C 1 40  ? -2.022  19.758  21.839  1.00 19.97 ? 54  TYR C CZ  1 
ATOM   2064 O OH  . TYR C 1 40  ? -3.259  19.756  21.230  1.00 22.75 ? 54  TYR C OH  1 
ATOM   2065 N N   . VAL C 1 41  ? 3.505   20.553  26.363  1.00 17.28 ? 55  VAL C N   1 
ATOM   2066 C CA  . VAL C 1 41  ? 4.712   20.314  27.148  1.00 16.15 ? 55  VAL C CA  1 
ATOM   2067 C C   . VAL C 1 41  ? 5.421   19.058  26.655  1.00 15.82 ? 55  VAL C C   1 
ATOM   2068 O O   . VAL C 1 41  ? 4.779   18.050  26.317  1.00 15.82 ? 55  VAL C O   1 
ATOM   2069 C CB  . VAL C 1 41  ? 4.353   20.155  28.637  1.00 15.96 ? 55  VAL C CB  1 
ATOM   2070 C CG1 . VAL C 1 41  ? 5.582   19.732  29.445  1.00 16.06 ? 55  VAL C CG1 1 
ATOM   2071 C CG2 . VAL C 1 41  ? 3.764   21.437  29.196  1.00 17.94 ? 55  VAL C CG2 1 
ATOM   2072 N N   . LEU C 1 42  ? 6.759   19.093  26.652  1.00 15.80 ? 56  LEU C N   1 
ATOM   2073 C CA  . LEU C 1 42  ? 7.561   17.902  26.419  1.00 15.34 ? 56  LEU C CA  1 
ATOM   2074 C C   . LEU C 1 42  ? 8.636   17.763  27.488  1.00 14.96 ? 56  LEU C C   1 
ATOM   2075 O O   . LEU C 1 42  ? 9.142   18.758  28.020  1.00 14.93 ? 56  LEU C O   1 
ATOM   2076 C CB  . LEU C 1 42  ? 8.244   17.929  25.048  1.00 16.65 ? 56  LEU C CB  1 
ATOM   2077 C CG  . LEU C 1 42  ? 9.428   18.879  24.835  1.00 17.11 ? 56  LEU C CG  1 
ATOM   2078 C CD1 . LEU C 1 42  ? 10.783  18.198  25.091  1.00 15.76 ? 56  LEU C CD1 1 
ATOM   2079 C CD2 . LEU C 1 42  ? 9.376   19.458  23.427  1.00 18.54 ? 56  LEU C CD2 1 
ATOM   2080 N N   A THR C 1 43  ? 9.004   16.517  27.779  0.35 14.81 ? 57  THR C N   1 
ATOM   2081 N N   B THR C 1 43  ? 8.972   16.513  27.812  0.65 16.28 ? 57  THR C N   1 
ATOM   2082 C CA  A THR C 1 43  ? 10.158  16.239  28.621  0.35 13.25 ? 57  THR C CA  1 
ATOM   2083 C CA  B THR C 1 43  ? 10.139  16.204  28.628  0.65 15.68 ? 57  THR C CA  1 
ATOM   2084 C C   A THR C 1 43  ? 10.824  14.957  28.140  0.35 13.47 ? 57  THR C C   1 
ATOM   2085 C C   B THR C 1 43  ? 10.837  14.980  28.058  0.65 14.52 ? 57  THR C C   1 
ATOM   2086 O O   A THR C 1 43  ? 10.162  14.048  27.629  0.35 13.42 ? 57  THR C O   1 
ATOM   2087 O O   B THR C 1 43  ? 10.209  14.122  27.425  0.65 13.28 ? 57  THR C O   1 
ATOM   2088 C CB  A THR C 1 43  ? 9.792   16.151  30.111  0.35 13.99 ? 57  THR C CB  1 
ATOM   2089 C CB  B THR C 1 43  ? 9.813   15.935  30.112  0.65 19.24 ? 57  THR C CB  1 
ATOM   2090 O OG1 A THR C 1 43  ? 10.973  15.911  30.889  0.35 13.89 ? 57  THR C OG1 1 
ATOM   2091 O OG1 B THR C 1 43  ? 8.909   14.828  30.222  0.65 19.73 ? 57  THR C OG1 1 
ATOM   2092 C CG2 A THR C 1 43  ? 8.808   15.033  30.351  0.35 13.97 ? 57  THR C CG2 1 
ATOM   2093 C CG2 B THR C 1 43  ? 9.219   17.167  30.778  0.65 22.36 ? 57  THR C CG2 1 
ATOM   2094 N N   . GLY C 1 44  ? 12.139  14.906  28.296  1.00 12.78 ? 58  GLY C N   1 
ATOM   2095 C CA  . GLY C 1 44  ? 12.894  13.745  27.874  1.00 13.92 ? 58  GLY C CA  1 
ATOM   2096 C C   . GLY C 1 44  ? 14.285  13.745  28.456  1.00 12.96 ? 58  GLY C C   1 
ATOM   2097 O O   . GLY C 1 44  ? 14.568  14.455  29.423  1.00 14.43 ? 58  GLY C O   1 
ATOM   2098 N N   . ARG C 1 45  ? 15.154  12.928  27.858  1.00 14.18 ? 59  ARG C N   1 
ATOM   2099 C CA  . ARG C 1 45  ? 16.511  12.736  28.351  1.00 14.08 ? 59  ARG C CA  1 
ATOM   2100 C C   . ARG C 1 45  ? 17.461  12.640  27.165  1.00 14.21 ? 59  ARG C C   1 
ATOM   2101 O O   . ARG C 1 45  ? 17.062  12.246  26.068  1.00 15.48 ? 59  ARG C O   1 
ATOM   2102 C CB  . ARG C 1 45  ? 16.629  11.432  29.166  1.00 14.24 ? 59  ARG C CB  1 
ATOM   2103 C CG  . ARG C 1 45  ? 15.708  11.333  30.370  1.00 15.71 ? 59  ARG C CG  1 
ATOM   2104 C CD  . ARG C 1 45  ? 16.153  12.250  31.481  1.00 15.20 ? 59  ARG C CD  1 
ATOM   2105 N NE  . ARG C 1 45  ? 17.450  11.859  32.014  1.00 14.37 ? 59  ARG C NE  1 
ATOM   2106 C CZ  . ARG C 1 45  ? 18.196  12.628  32.788  1.00 14.14 ? 59  ARG C CZ  1 
ATOM   2107 N NH1 . ARG C 1 45  ? 17.783  13.826  33.171  1.00 14.64 ? 59  ARG C NH1 1 
ATOM   2108 N NH2 . ARG C 1 45  ? 19.386  12.188  33.182  1.00 15.72 ? 59  ARG C NH2 1 
ATOM   2109 N N   . TYR C 1 46  ? 18.726  12.993  27.389  1.00 14.81 ? 60  TYR C N   1 
ATOM   2110 C CA  . TYR C 1 46  ? 19.749  12.843  26.361  1.00 15.12 ? 60  TYR C CA  1 
ATOM   2111 C C   . TYR C 1 46  ? 21.063  12.438  27.016  1.00 15.72 ? 60  TYR C C   1 
ATOM   2112 O O   . TYR C 1 46  ? 21.260  12.619  28.220  1.00 15.77 ? 60  TYR C O   1 
ATOM   2113 C CB  . TYR C 1 46  ? 19.928  14.129  25.531  1.00 15.61 ? 60  TYR C CB  1 
ATOM   2114 C CG  . TYR C 1 46  ? 20.688  15.222  26.255  1.00 16.47 ? 60  TYR C CG  1 
ATOM   2115 C CD1 . TYR C 1 46  ? 20.108  15.926  27.310  1.00 17.12 ? 60  TYR C CD1 1 
ATOM   2116 C CD2 . TYR C 1 46  ? 21.985  15.550  25.884  1.00 17.33 ? 60  TYR C CD2 1 
ATOM   2117 C CE1 . TYR C 1 46  ? 20.807  16.924  27.976  1.00 18.16 ? 60  TYR C CE1 1 
ATOM   2118 C CE2 . TYR C 1 46  ? 22.687  16.539  26.542  1.00 20.50 ? 60  TYR C CE2 1 
ATOM   2119 C CZ  . TYR C 1 46  ? 22.097  17.222  27.585  1.00 20.46 ? 60  TYR C CZ  1 
ATOM   2120 O OH  . TYR C 1 46  ? 22.806  18.213  28.234  1.00 22.88 ? 60  TYR C OH  1 
ATOM   2121 N N   . ASP C 1 47  ? 21.958  11.862  26.210  1.00 15.05 ? 61  ASP C N   1 
ATOM   2122 C CA  . ASP C 1 47  ? 23.297  11.501  26.674  1.00 15.00 ? 61  ASP C CA  1 
ATOM   2123 C C   . ASP C 1 47  ? 24.132  12.772  26.803  1.00 16.38 ? 61  ASP C C   1 
ATOM   2124 O O   . ASP C 1 47  ? 24.516  13.376  25.795  1.00 17.28 ? 61  ASP C O   1 
ATOM   2125 C CB  . ASP C 1 47  ? 23.918  10.538  25.666  1.00 16.34 ? 61  ASP C CB  1 
ATOM   2126 C CG  . ASP C 1 47  ? 25.322  10.104  26.034  1.00 16.91 ? 61  ASP C CG  1 
ATOM   2127 O OD1 . ASP C 1 47  ? 25.840  10.482  27.115  1.00 17.21 ? 61  ASP C OD1 1 
ATOM   2128 O OD2 . ASP C 1 47  ? 25.912  9.363   25.213  1.00 16.52 ? 61  ASP C OD2 1 
ATOM   2129 N N   . SER C 1 48  ? 24.413  13.182  28.041  1.00 16.03 ? 62  SER C N   1 
ATOM   2130 C CA  . SER C 1 48  ? 25.152  14.413  28.297  1.00 17.37 ? 62  SER C CA  1 
ATOM   2131 C C   . SER C 1 48  ? 26.658  14.260  28.143  1.00 19.70 ? 62  SER C C   1 
ATOM   2132 O O   . SER C 1 48  ? 27.379  15.251  28.309  1.00 21.06 ? 62  SER C O   1 
ATOM   2133 C CB  . SER C 1 48  ? 24.831  14.931  29.697  1.00 21.06 ? 62  SER C CB  1 
ATOM   2134 O OG  . SER C 1 48  ? 25.215  13.982  30.671  1.00 24.01 ? 62  SER C OG  1 
ATOM   2135 N N   . ALA C 1 49  ? 27.155  13.062  27.841  1.00 18.69 ? 63  ALA C N   1 
ATOM   2136 C CA  . ALA C 1 49  ? 28.587  12.834  27.617  1.00 18.14 ? 63  ALA C CA  1 
ATOM   2137 C C   . ALA C 1 49  ? 28.753  11.849  26.470  1.00 18.90 ? 63  ALA C C   1 
ATOM   2138 O O   . ALA C 1 49  ? 29.145  10.693  26.669  1.00 18.77 ? 63  ALA C O   1 
ATOM   2139 C CB  . ALA C 1 49  ? 29.260  12.320  28.890  1.00 20.62 ? 63  ALA C CB  1 
ATOM   2140 N N   . PRO C 1 50  ? 28.463  12.276  25.246  1.00 19.95 ? 64  PRO C N   1 
ATOM   2141 C CA  . PRO C 1 50  ? 28.504  11.352  24.109  1.00 19.08 ? 64  PRO C CA  1 
ATOM   2142 C C   . PRO C 1 50  ? 29.923  10.896  23.802  1.00 19.71 ? 64  PRO C C   1 
ATOM   2143 O O   . PRO C 1 50  ? 30.914  11.431  24.302  1.00 21.36 ? 64  PRO C O   1 
ATOM   2144 C CB  . PRO C 1 50  ? 27.930  12.183  22.957  1.00 20.85 ? 64  PRO C CB  1 
ATOM   2145 C CG  . PRO C 1 50  ? 28.185  13.600  23.352  1.00 22.61 ? 64  PRO C CG  1 
ATOM   2146 C CD  . PRO C 1 50  ? 28.027  13.624  24.847  1.00 21.49 ? 64  PRO C CD  1 
ATOM   2147 N N   . ALA C 1 51  ? 30.003  9.866   22.968  1.00 20.29 ? 65  ALA C N   1 
ATOM   2148 C CA  . ALA C 1 51  ? 31.293  9.390   22.503  1.00 22.10 ? 65  ALA C CA  1 
ATOM   2149 C C   . ALA C 1 51  ? 32.000  10.476  21.700  1.00 23.62 ? 65  ALA C C   1 
ATOM   2150 O O   . ALA C 1 51  ? 31.383  11.411  21.184  1.00 25.09 ? 65  ALA C O   1 
ATOM   2151 C CB  . ALA C 1 51  ? 31.121  8.146   21.631  1.00 22.21 ? 65  ALA C CB  1 
ATOM   2152 N N   . THR C 1 52  ? 33.321  10.338  21.601  1.00 25.01 ? 66  THR C N   1 
ATOM   2153 C CA  . THR C 1 52  ? 34.168  11.286  20.889  1.00 25.21 ? 66  THR C CA  1 
ATOM   2154 C C   . THR C 1 52  ? 34.762  10.673  19.625  1.00 26.38 ? 66  THR C C   1 
ATOM   2155 O O   . THR C 1 52  ? 35.891  10.989  19.243  1.00 29.02 ? 66  THR C O   1 
ATOM   2156 C CB  . THR C 1 52  ? 35.261  11.825  21.812  1.00 27.11 ? 66  THR C CB  1 
ATOM   2157 O OG1 . THR C 1 52  ? 35.958  10.730  22.418  1.00 27.33 ? 66  THR C OG1 1 
ATOM   2158 C CG2 . THR C 1 52  ? 34.657  12.696  22.907  1.00 25.62 ? 66  THR C CG2 1 
ATOM   2159 N N   . ASP C 1 53  ? 34.008  9.790   18.965  1.00 24.54 ? 67  ASP C N   1 
ATOM   2160 C CA  . ASP C 1 53  ? 34.478  9.078   17.779  1.00 26.30 ? 67  ASP C CA  1 
ATOM   2161 C C   . ASP C 1 53  ? 33.683  9.443   16.529  1.00 26.62 ? 67  ASP C C   1 
ATOM   2162 O O   . ASP C 1 53  ? 33.710  8.697   15.544  1.00 30.00 ? 67  ASP C O   1 
ATOM   2163 C CB  . ASP C 1 53  ? 34.421  7.566   18.009  1.00 28.94 ? 67  ASP C CB  1 
ATOM   2164 C CG  . ASP C 1 53  ? 33.000  7.064   18.226  1.00 31.60 ? 67  ASP C CG  1 
ATOM   2165 O OD1 . ASP C 1 53  ? 32.075  7.899   18.326  1.00 30.08 ? 67  ASP C OD1 1 
ATOM   2166 O OD2 . ASP C 1 53  ? 32.802  5.832   18.289  1.00 35.70 ? 67  ASP C OD2 1 
ATOM   2167 N N   . GLY C 1 54  ? 32.952  10.556  16.557  1.00 25.56 ? 68  GLY C N   1 
ATOM   2168 C CA  . GLY C 1 54  ? 32.093  10.930  15.454  1.00 24.97 ? 68  GLY C CA  1 
ATOM   2169 C C   . GLY C 1 54  ? 30.657  10.466  15.570  1.00 24.01 ? 68  GLY C C   1 
ATOM   2170 O O   . GLY C 1 54  ? 29.839  10.821  14.709  1.00 26.75 ? 68  GLY C O   1 
ATOM   2171 N N   . SER C 1 55  ? 30.318  9.697   16.603  1.00 22.18 ? 69  SER C N   1 
ATOM   2172 C CA  . SER C 1 55  ? 28.958  9.209   16.775  1.00 21.35 ? 69  SER C CA  1 
ATOM   2173 C C   . SER C 1 55  ? 28.021  10.345  17.174  1.00 20.16 ? 69  SER C C   1 
ATOM   2174 O O   . SER C 1 55  ? 28.429  11.348  17.770  1.00 21.31 ? 69  SER C O   1 
ATOM   2175 C CB  . SER C 1 55  ? 28.912  8.149   17.872  1.00 24.37 ? 69  SER C CB  1 
ATOM   2176 O OG  . SER C 1 55  ? 29.656  7.002   17.516  1.00 28.29 ? 69  SER C OG  1 
ATOM   2177 N N   . GLY C 1 56  ? 26.739  10.163  16.860  1.00 19.11 ? 70  GLY C N   1 
ATOM   2178 C CA  . GLY C 1 56  ? 25.711  11.086  17.299  1.00 17.84 ? 70  GLY C CA  1 
ATOM   2179 C C   . GLY C 1 56  ? 25.404  10.940  18.784  1.00 17.18 ? 70  GLY C C   1 
ATOM   2180 O O   . GLY C 1 56  ? 25.923  10.073  19.489  1.00 18.05 ? 70  GLY C O   1 
ATOM   2181 N N   . THR C 1 57  ? 24.514  11.809  19.259  1.00 17.23 ? 71  THR C N   1 
ATOM   2182 C CA  . THR C 1 57  ? 24.128  11.872  20.665  1.00 17.18 ? 71  THR C CA  1 
ATOM   2183 C C   . THR C 1 57  ? 22.714  11.324  20.817  1.00 15.32 ? 71  THR C C   1 
ATOM   2184 O O   . THR C 1 57  ? 21.756  11.920  20.308  1.00 15.93 ? 71  THR C O   1 
ATOM   2185 C CB  . THR C 1 57  ? 24.172  13.314  21.175  1.00 18.29 ? 71  THR C CB  1 
ATOM   2186 O OG1 . THR C 1 57  ? 25.489  13.850  21.002  1.00 18.80 ? 71  THR C OG1 1 
ATOM   2187 C CG2 . THR C 1 57  ? 23.789  13.366  22.657  1.00 19.08 ? 71  THR C CG2 1 
ATOM   2188 N N   . ALA C 1 58  ? 22.583  10.215  21.542  1.00 15.11 ? 72  ALA C N   1 
ATOM   2189 C CA  . ALA C 1 58  ? 21.279  9.586   21.728  1.00 14.38 ? 72  ALA C CA  1 
ATOM   2190 C C   . ALA C 1 58  ? 20.374  10.430  22.624  1.00 14.40 ? 72  ALA C C   1 
ATOM   2191 O O   . ALA C 1 58  ? 20.829  11.067  23.584  1.00 15.96 ? 72  ALA C O   1 
ATOM   2192 C CB  . ALA C 1 58  ? 21.442  8.194   22.343  1.00 15.14 ? 72  ALA C CB  1 
ATOM   2193 N N   A LEU C 1 59  ? 19.077  10.394  22.329  0.46 14.02 ? 73  LEU C N   1 
ATOM   2194 N N   B LEU C 1 59  ? 19.078  10.434  22.305  0.54 14.26 ? 73  LEU C N   1 
ATOM   2195 C CA  A LEU C 1 59  ? 18.106  11.181  23.075  0.46 13.92 ? 73  LEU C CA  1 
ATOM   2196 C CA  B LEU C 1 59  ? 18.107  11.239  23.039  0.54 14.41 ? 73  LEU C CA  1 
ATOM   2197 C C   A LEU C 1 59  ? 16.713  10.597  22.871  0.46 14.32 ? 73  LEU C C   1 
ATOM   2198 C C   B LEU C 1 59  ? 16.696  10.734  22.758  0.54 14.14 ? 73  LEU C C   1 
ATOM   2199 O O   A LEU C 1 59  ? 16.503  9.694   22.056  0.46 14.65 ? 73  LEU C O   1 
ATOM   2200 O O   B LEU C 1 59  ? 16.457  9.995   21.796  0.54 13.48 ? 73  LEU C O   1 
ATOM   2201 C CB  A LEU C 1 59  ? 18.161  12.657  22.660  0.46 14.39 ? 73  LEU C CB  1 
ATOM   2202 C CB  B LEU C 1 59  ? 18.236  12.733  22.697  0.54 16.33 ? 73  LEU C CB  1 
ATOM   2203 C CG  A LEU C 1 59  ? 18.130  12.975  21.160  0.46 14.70 ? 73  LEU C CG  1 
ATOM   2204 C CG  B LEU C 1 59  ? 17.515  13.303  21.468  0.54 18.59 ? 73  LEU C CG  1 
ATOM   2205 C CD1 A LEU C 1 59  ? 16.735  12.830  20.558  0.46 14.12 ? 73  LEU C CD1 1 
ATOM   2206 C CD1 B LEU C 1 59  ? 17.629  14.828  21.432  0.54 16.57 ? 73  LEU C CD1 1 
ATOM   2207 C CD2 A LEU C 1 59  ? 18.654  14.375  20.934  0.46 14.44 ? 73  LEU C CD2 1 
ATOM   2208 C CD2 B LEU C 1 59  ? 18.048  12.706  20.177  0.54 19.23 ? 73  LEU C CD2 1 
ATOM   2209 N N   . GLY C 1 60  ? 15.759  11.144  23.617  1.00 13.84 ? 74  GLY C N   1 
ATOM   2210 C CA  . GLY C 1 60  ? 14.362  10.823  23.418  1.00 14.43 ? 74  GLY C CA  1 
ATOM   2211 C C   . GLY C 1 60  ? 13.491  11.773  24.209  1.00 13.21 ? 74  GLY C C   1 
ATOM   2212 O O   . GLY C 1 60  ? 13.937  12.371  25.188  1.00 13.29 ? 74  GLY C O   1 
ATOM   2213 N N   . TRP C 1 61  ? 12.243  11.925  23.766  1.00 13.56 ? 75  TRP C N   1 
ATOM   2214 C CA  . TRP C 1 61  ? 11.315  12.763  24.521  1.00 12.12 ? 75  TRP C CA  1 
ATOM   2215 C C   . TRP C 1 61  ? 9.877   12.325  24.285  1.00 10.99 ? 75  TRP C C   1 
ATOM   2216 O O   . TRP C 1 61  ? 9.580   11.565  23.356  1.00 12.19 ? 75  TRP C O   1 
ATOM   2217 C CB  . TRP C 1 61  ? 11.498  14.264  24.224  1.00 11.72 ? 75  TRP C CB  1 
ATOM   2218 C CG  . TRP C 1 61  ? 11.059  14.704  22.848  1.00 12.07 ? 75  TRP C CG  1 
ATOM   2219 C CD1 . TRP C 1 61  ? 9.845   15.225  22.506  1.00 13.94 ? 75  TRP C CD1 1 
ATOM   2220 C CD2 . TRP C 1 61  ? 11.849  14.703  21.646  1.00 13.08 ? 75  TRP C CD2 1 
ATOM   2221 N NE1 . TRP C 1 61  ? 9.819   15.531  21.163  1.00 13.53 ? 75  TRP C NE1 1 
ATOM   2222 C CE2 . TRP C 1 61  ? 11.037  15.222  20.612  1.00 13.58 ? 75  TRP C CE2 1 
ATOM   2223 C CE3 . TRP C 1 61  ? 13.158  14.307  21.343  1.00 15.08 ? 75  TRP C CE3 1 
ATOM   2224 C CZ2 . TRP C 1 61  ? 11.495  15.355  19.293  1.00 15.51 ? 75  TRP C CZ2 1 
ATOM   2225 C CZ3 . TRP C 1 61  ? 13.612  14.441  20.024  1.00 15.77 ? 75  TRP C CZ3 1 
ATOM   2226 C CH2 . TRP C 1 61  ? 12.779  14.955  19.022  1.00 15.36 ? 75  TRP C CH2 1 
ATOM   2227 N N   . THR C 1 62  ? 8.983   12.817  25.155  1.00 11.85 ? 76  THR C N   1 
ATOM   2228 C CA  . THR C 1 62  ? 7.565   12.479  25.126  1.00 11.62 ? 76  THR C CA  1 
ATOM   2229 C C   . THR C 1 62  ? 6.720   13.747  25.120  1.00 11.86 ? 76  THR C C   1 
ATOM   2230 O O   . THR C 1 62  ? 7.040   14.715  25.813  1.00 13.58 ? 76  THR C O   1 
ATOM   2231 C CB  . THR C 1 62  ? 7.178   11.674  26.386  1.00 12.54 ? 76  THR C CB  1 
ATOM   2232 O OG1 . THR C 1 62  ? 7.982   10.487  26.485  1.00 12.93 ? 76  THR C OG1 1 
ATOM   2233 C CG2 . THR C 1 62  ? 5.718   11.279  26.347  1.00 13.02 ? 76  THR C CG2 1 
ATOM   2234 N N   . VAL C 1 63  ? 5.626   13.724  24.360  1.00 12.54 ? 77  VAL C N   1 
ATOM   2235 C CA  . VAL C 1 63  ? 4.548   14.709  24.452  1.00 12.93 ? 77  VAL C CA  1 
ATOM   2236 C C   . VAL C 1 63  ? 3.250   13.944  24.690  1.00 12.88 ? 77  VAL C C   1 
ATOM   2237 O O   . VAL C 1 63  ? 2.900   13.055  23.903  1.00 12.49 ? 77  VAL C O   1 
ATOM   2238 C CB  . VAL C 1 63  ? 4.427   15.539  23.163  1.00 13.88 ? 77  VAL C CB  1 
ATOM   2239 C CG1 . VAL C 1 63  ? 3.128   16.352  23.167  1.00 14.02 ? 77  VAL C CG1 1 
ATOM   2240 C CG2 . VAL C 1 63  ? 5.637   16.433  22.971  1.00 14.89 ? 77  VAL C CG2 1 
ATOM   2241 N N   . ALA C 1 64  ? 2.539   14.283  25.766  1.00 11.78 ? 78  ALA C N   1 
ATOM   2242 C CA  . ALA C 1 64  ? 1.158   13.849  25.936  1.00 12.52 ? 78  ALA C CA  1 
ATOM   2243 C C   . ALA C 1 64  ? 0.276   14.935  25.339  1.00 14.94 ? 78  ALA C C   1 
ATOM   2244 O O   . ALA C 1 64  ? 0.463   16.116  25.642  1.00 16.14 ? 78  ALA C O   1 
ATOM   2245 C CB  . ALA C 1 64  ? 0.813   13.644  27.417  1.00 14.57 ? 78  ALA C CB  1 
ATOM   2246 N N   . TRP C 1 65  ? -0.667  14.537  24.483  1.00 15.08 ? 79  TRP C N   1 
ATOM   2247 C CA  . TRP C 1 65  ? -1.418  15.497  23.680  1.00 15.27 ? 79  TRP C CA  1 
ATOM   2248 C C   . TRP C 1 65  ? -2.595  16.097  24.440  1.00 15.78 ? 79  TRP C C   1 
ATOM   2249 O O   . TRP C 1 65  ? -3.737  16.086  23.961  1.00 17.09 ? 79  TRP C O   1 
ATOM   2250 C CB  . TRP C 1 65  ? -1.840  14.863  22.349  1.00 15.66 ? 79  TRP C CB  1 
ATOM   2251 C CG  . TRP C 1 65  ? -0.631  14.468  21.537  1.00 14.88 ? 79  TRP C CG  1 
ATOM   2252 C CD1 . TRP C 1 65  ? -0.142  13.205  21.339  1.00 15.47 ? 79  TRP C CD1 1 
ATOM   2253 C CD2 . TRP C 1 65  ? 0.278   15.359  20.875  1.00 14.52 ? 79  TRP C CD2 1 
ATOM   2254 N NE1 . TRP C 1 65  ? 1.005   13.256  20.570  1.00 14.33 ? 79  TRP C NE1 1 
ATOM   2255 C CE2 . TRP C 1 65  ? 1.280   14.568  20.276  1.00 15.00 ? 79  TRP C CE2 1 
ATOM   2256 C CE3 . TRP C 1 65  ? 0.328   16.751  20.713  1.00 15.49 ? 79  TRP C CE3 1 
ATOM   2257 C CZ2 . TRP C 1 65  ? 2.315   15.122  19.531  1.00 15.76 ? 79  TRP C CZ2 1 
ATOM   2258 C CZ3 . TRP C 1 65  ? 1.357   17.294  19.987  1.00 16.84 ? 79  TRP C CZ3 1 
ATOM   2259 C CH2 . TRP C 1 65  ? 2.336   16.480  19.389  1.00 18.01 ? 79  TRP C CH2 1 
ATOM   2260 N N   . LYS C 1 66  ? -2.311  16.625  25.628  1.00 15.98 ? 80  LYS C N   1 
ATOM   2261 C CA  . LYS C 1 66  ? -3.264  17.385  26.421  1.00 16.60 ? 80  LYS C CA  1 
ATOM   2262 C C   . LYS C 1 66  ? -2.652  18.742  26.726  1.00 16.22 ? 80  LYS C C   1 
ATOM   2263 O O   . LYS C 1 66  ? -1.491  18.827  27.144  1.00 16.80 ? 80  LYS C O   1 
ATOM   2264 C CB  . LYS C 1 66  ? -3.562  16.672  27.747  1.00 17.02 ? 80  LYS C CB  1 
ATOM   2265 C CG  . LYS C 1 66  ? -4.451  17.495  28.693  1.00 19.55 ? 80  LYS C CG  1 
ATOM   2266 C CD  . LYS C 1 66  ? -4.614  16.818  30.045  1.00 21.74 ? 80  LYS C CD  1 
ATOM   2267 C CE  . LYS C 1 66  ? -5.386  17.692  31.018  1.00 24.11 ? 80  LYS C CE  1 
ATOM   2268 N NZ  . LYS C 1 66  ? -4.715  19.013  31.189  1.00 30.09 ? 80  LYS C NZ  1 
ATOM   2269 N N   . ASN C 1 67  ? -3.422  19.801  26.499  1.00 17.83 ? 81  ASN C N   1 
ATOM   2270 C CA  . ASN C 1 67  ? -3.057  21.128  26.979  1.00 20.63 ? 81  ASN C CA  1 
ATOM   2271 C C   . ASN C 1 67  ? -4.320  21.754  27.567  1.00 23.58 ? 81  ASN C C   1 
ATOM   2272 O O   . ASN C 1 67  ? -5.306  21.067  27.858  1.00 26.69 ? 81  ASN C O   1 
ATOM   2273 C CB  . ASN C 1 67  ? -2.307  21.964  25.930  1.00 21.76 ? 81  ASN C CB  1 
ATOM   2274 C CG  . ASN C 1 67  ? -3.127  22.231  24.683  1.00 22.26 ? 81  ASN C CG  1 
ATOM   2275 O OD1 . ASN C 1 67  ? -4.349  22.056  24.666  1.00 22.18 ? 81  ASN C OD1 1 
ATOM   2276 N ND2 . ASN C 1 67  ? -2.450  22.664  23.624  1.00 21.60 ? 81  ASN C ND2 1 
ATOM   2277 N N   . ASN C 1 68  ? -4.307  23.075  27.750  1.00 25.01 ? 82  ASN C N   1 
ATOM   2278 C CA  . ASN C 1 68  ? -5.474  23.739  28.322  1.00 28.52 ? 82  ASN C CA  1 
ATOM   2279 C C   . ASN C 1 68  ? -6.643  23.829  27.356  1.00 31.06 ? 82  ASN C C   1 
ATOM   2280 O O   . ASN C 1 68  ? -7.726  24.262  27.765  1.00 32.60 ? 82  ASN C O   1 
ATOM   2281 C CB  . ASN C 1 68  ? -5.112  25.141  28.813  1.00 31.95 ? 82  ASN C CB  1 
ATOM   2282 C CG  . ASN C 1 68  ? -4.247  25.113  30.046  1.00 34.77 ? 82  ASN C CG  1 
ATOM   2283 O OD1 . ASN C 1 68  ? -4.107  24.073  30.687  1.00 36.91 ? 82  ASN C OD1 1 
ATOM   2284 N ND2 . ASN C 1 68  ? -3.666  26.256  30.393  1.00 34.97 ? 82  ASN C ND2 1 
ATOM   2285 N N   . TYR C 1 69  ? -6.460  23.436  26.104  1.00 31.17 ? 83  TYR C N   1 
ATOM   2286 C CA  . TYR C 1 69  ? -7.464  23.642  25.075  1.00 32.55 ? 83  TYR C CA  1 
ATOM   2287 C C   . TYR C 1 69  ? -7.960  22.361  24.424  1.00 31.28 ? 83  TYR C C   1 
ATOM   2288 O O   . TYR C 1 69  ? -9.112  22.320  23.984  1.00 31.94 ? 83  TYR C O   1 
ATOM   2289 C CB  . TYR C 1 69  ? -6.913  24.587  23.999  1.00 35.15 ? 83  TYR C CB  1 
ATOM   2290 C CG  . TYR C 1 69  ? -6.316  25.847  24.590  1.00 37.62 ? 83  TYR C CG  1 
ATOM   2291 C CD1 . TYR C 1 69  ? -7.125  26.926  24.933  1.00 39.20 ? 83  TYR C CD1 1 
ATOM   2292 C CD2 . TYR C 1 69  ? -4.949  25.953  24.824  1.00 39.10 ? 83  TYR C CD2 1 
ATOM   2293 C CE1 . TYR C 1 69  ? -6.588  28.078  25.480  1.00 40.51 ? 83  TYR C CE1 1 
ATOM   2294 C CE2 . TYR C 1 69  ? -4.403  27.102  25.375  1.00 40.03 ? 83  TYR C CE2 1 
ATOM   2295 C CZ  . TYR C 1 69  ? -5.228  28.162  25.698  1.00 41.11 ? 83  TYR C CZ  1 
ATOM   2296 O OH  . TYR C 1 69  ? -4.698  29.310  26.244  1.00 42.24 ? 83  TYR C OH  1 
ATOM   2297 N N   . ARG C 1 70  ? -7.136  21.318  24.349  1.00 29.48 ? 84  ARG C N   1 
ATOM   2298 C CA  . ARG C 1 70  ? -7.515  20.083  23.681  1.00 28.43 ? 84  ARG C CA  1 
ATOM   2299 C C   . ARG C 1 70  ? -6.923  18.902  24.439  1.00 23.86 ? 84  ARG C C   1 
ATOM   2300 O O   . ARG C 1 70  ? -5.925  19.031  25.152  1.00 23.02 ? 84  ARG C O   1 
ATOM   2301 C CB  . ARG C 1 70  ? -7.024  20.048  22.223  1.00 32.40 ? 84  ARG C CB  1 
ATOM   2302 C CG  . ARG C 1 70  ? -7.474  21.227  21.368  1.00 37.72 ? 84  ARG C CG  1 
ATOM   2303 C CD  . ARG C 1 70  ? -7.072  21.058  19.909  1.00 43.64 ? 84  ARG C CD  1 
ATOM   2304 N NE  . ARG C 1 70  ? -7.794  19.966  19.266  1.00 47.80 ? 84  ARG C NE  1 
ATOM   2305 C CZ  . ARG C 1 70  ? -7.784  19.724  17.961  1.00 50.24 ? 84  ARG C CZ  1 
ATOM   2306 N NH1 . ARG C 1 70  ? -7.098  20.484  17.122  1.00 50.63 ? 84  ARG C NH1 1 
ATOM   2307 N NH2 . ARG C 1 70  ? -8.481  18.697  17.487  1.00 51.32 ? 84  ARG C NH2 1 
ATOM   2308 N N   . ASN C 1 71  ? -7.558  17.741  24.283  1.00 22.86 ? 85  ASN C N   1 
ATOM   2309 C CA  . ASN C 1 71  ? -7.015  16.498  24.830  1.00 20.99 ? 85  ASN C CA  1 
ATOM   2310 C C   . ASN C 1 71  ? -7.346  15.366  23.869  1.00 20.73 ? 85  ASN C C   1 
ATOM   2311 O O   . ASN C 1 71  ? -8.514  14.987  23.735  1.00 22.38 ? 85  ASN C O   1 
ATOM   2312 C CB  . ASN C 1 71  ? -7.567  16.199  26.218  1.00 19.44 ? 85  ASN C CB  1 
ATOM   2313 C CG  . ASN C 1 71  ? -6.817  15.062  26.906  1.00 18.33 ? 85  ASN C CG  1 
ATOM   2314 O OD1 . ASN C 1 71  ? -5.974  14.394  26.294  1.00 17.80 ? 85  ASN C OD1 1 
ATOM   2315 N ND2 . ASN C 1 71  ? -7.123  14.835  28.178  1.00 18.41 ? 85  ASN C ND2 1 
ATOM   2316 N N   . ALA C 1 72  ? -6.322  14.817  23.223  1.00 19.96 ? 86  ALA C N   1 
ATOM   2317 C CA  . ALA C 1 72  ? -6.503  13.730  22.275  1.00 20.14 ? 86  ALA C CA  1 
ATOM   2318 C C   . ALA C 1 72  ? -6.421  12.357  22.926  1.00 18.22 ? 86  ALA C C   1 
ATOM   2319 O O   . ALA C 1 72  ? -6.627  11.350  22.240  1.00 19.06 ? 86  ALA C O   1 
ATOM   2320 C CB  . ALA C 1 72  ? -5.475  13.831  21.141  1.00 19.28 ? 86  ALA C CB  1 
ATOM   2321 N N   . HIS C 1 73  ? -6.146  12.297  24.229  1.00 16.08 ? 87  HIS C N   1 
ATOM   2322 C CA  . HIS C 1 73  ? -5.996  11.037  24.953  1.00 15.63 ? 87  HIS C CA  1 
ATOM   2323 C C   . HIS C 1 73  ? -4.978  10.135  24.259  1.00 15.59 ? 87  HIS C C   1 
ATOM   2324 O O   . HIS C 1 73  ? -5.264  8.992   23.884  1.00 14.31 ? 87  HIS C O   1 
ATOM   2325 C CB  . HIS C 1 73  ? -7.338  10.325  25.136  1.00 17.04 ? 87  HIS C CB  1 
ATOM   2326 C CG  . HIS C 1 73  ? -8.371  11.139  25.855  1.00 17.36 ? 87  HIS C CG  1 
ATOM   2327 N ND1 . HIS C 1 73  ? -8.136  11.741  27.076  1.00 18.11 ? 87  HIS C ND1 1 
ATOM   2328 C CD2 . HIS C 1 73  ? -9.658  11.420  25.541  1.00 19.52 ? 87  HIS C CD2 1 
ATOM   2329 C CE1 . HIS C 1 73  ? -9.227  12.372  27.470  1.00 19.31 ? 87  HIS C CE1 1 
ATOM   2330 N NE2 . HIS C 1 73  ? -10.166 12.195  26.555  1.00 19.64 ? 87  HIS C NE2 1 
ATOM   2331 N N   . SER C 1 74  ? -3.772  10.677  24.091  1.00 14.00 ? 88  SER C N   1 
ATOM   2332 C CA  . SER C 1 74  ? -2.721  10.002  23.337  1.00 13.77 ? 88  SER C CA  1 
ATOM   2333 C C   . SER C 1 74  ? -1.385  10.626  23.712  1.00 13.40 ? 88  SER C C   1 
ATOM   2334 O O   . SER C 1 74  ? -1.330  11.699  24.315  1.00 14.51 ? 88  SER C O   1 
ATOM   2335 C CB  . SER C 1 74  ? -2.971  10.109  21.833  1.00 14.74 ? 88  SER C CB  1 
ATOM   2336 O OG  . SER C 1 74  ? -2.928  11.456  21.413  1.00 17.37 ? 88  SER C OG  1 
ATOM   2337 N N   . ALA C 1 75  ? -0.301  9.938   23.347  1.00 13.05 ? 89  ALA C N   1 
ATOM   2338 C CA  . ALA C 1 75  ? 1.040   10.449  23.613  1.00 12.32 ? 89  ALA C CA  1 
ATOM   2339 C C   . ALA C 1 75  ? 2.005   9.926   22.556  1.00 13.28 ? 89  ALA C C   1 
ATOM   2340 O O   . ALA C 1 75  ? 1.899   8.774   22.130  1.00 13.17 ? 89  ALA C O   1 
ATOM   2341 C CB  . ALA C 1 75  ? 1.537   10.031  25.008  1.00 15.20 ? 89  ALA C CB  1 
ATOM   2342 N N   . THR C 1 76  ? 2.953   10.771  22.152  1.00 12.23 ? 90  THR C N   1 
ATOM   2343 C CA  . THR C 1 76  ? 4.007   10.386  21.221  1.00 11.93 ? 90  THR C CA  1 
ATOM   2344 C C   . THR C 1 76  ? 5.354   10.383  21.931  1.00 11.95 ? 90  THR C C   1 
ATOM   2345 O O   . THR C 1 76  ? 5.653   11.291  22.713  1.00 13.35 ? 90  THR C O   1 
ATOM   2346 C CB  . THR C 1 76  ? 4.084   11.383  20.058  1.00 13.04 ? 90  THR C CB  1 
ATOM   2347 O OG1 . THR C 1 76  ? 2.824   11.417  19.381  1.00 14.29 ? 90  THR C OG1 1 
ATOM   2348 C CG2 . THR C 1 76  ? 5.193   10.985  19.065  1.00 14.83 ? 90  THR C CG2 1 
ATOM   2349 N N   . THR C 1 77  ? 6.172   9.360   21.662  1.00 11.69 ? 91  THR C N   1 
ATOM   2350 C CA  . THR C 1 77  ? 7.579   9.371   22.044  1.00 11.42 ? 91  THR C CA  1 
ATOM   2351 C C   . THR C 1 77  ? 8.444   9.409   20.790  1.00 12.55 ? 91  THR C C   1 
ATOM   2352 O O   . THR C 1 77  ? 8.184   8.684   19.829  1.00 13.79 ? 91  THR C O   1 
ATOM   2353 C CB  . THR C 1 77  ? 7.975   8.132   22.871  1.00 13.27 ? 91  THR C CB  1 
ATOM   2354 O OG1 . THR C 1 77  ? 7.783   6.928   22.108  1.00 15.26 ? 91  THR C OG1 1 
ATOM   2355 C CG2 . THR C 1 77  ? 7.162   8.037   24.141  1.00 13.82 ? 91  THR C CG2 1 
ATOM   2356 N N   . TRP C 1 78  ? 9.482   10.242  20.807  1.00 11.51 ? 92  TRP C N   1 
ATOM   2357 C CA  . TRP C 1 78  ? 10.492  10.268  19.752  1.00 11.34 ? 92  TRP C CA  1 
ATOM   2358 C C   . TRP C 1 78  ? 11.799  9.725   20.312  1.00 11.87 ? 92  TRP C C   1 
ATOM   2359 O O   . TRP C 1 78  ? 12.259  10.173  21.367  1.00 13.07 ? 92  TRP C O   1 
ATOM   2360 C CB  . TRP C 1 78  ? 10.758  11.706  19.286  1.00 11.26 ? 92  TRP C CB  1 
ATOM   2361 C CG  . TRP C 1 78  ? 9.669   12.409  18.520  1.00 12.75 ? 92  TRP C CG  1 
ATOM   2362 C CD1 . TRP C 1 78  ? 9.628   12.609  17.168  1.00 13.61 ? 92  TRP C CD1 1 
ATOM   2363 C CD2 . TRP C 1 78  ? 8.500   13.066  19.057  1.00 10.56 ? 92  TRP C CD2 1 
ATOM   2364 N NE1 . TRP C 1 78  ? 8.506   13.338  16.828  1.00 12.62 ? 92  TRP C NE1 1 
ATOM   2365 C CE2 . TRP C 1 78  ? 7.794   13.625  17.964  1.00 12.02 ? 92  TRP C CE2 1 
ATOM   2366 C CE3 . TRP C 1 78  ? 7.974   13.219  20.349  1.00 11.41 ? 92  TRP C CE3 1 
ATOM   2367 C CZ2 . TRP C 1 78  ? 6.601   14.339  18.121  1.00 14.20 ? 92  TRP C CZ2 1 
ATOM   2368 C CZ3 . TRP C 1 78  ? 6.777   13.930  20.509  1.00 13.16 ? 92  TRP C CZ3 1 
ATOM   2369 C CH2 . TRP C 1 78  ? 6.105   14.478  19.395  1.00 14.35 ? 92  TRP C CH2 1 
ATOM   2370 N N   . SER C 1 79  ? 12.413  8.789   19.584  1.00 12.59 ? 93  SER C N   1 
ATOM   2371 C CA  . SER C 1 79  ? 13.693  8.194   19.949  1.00 12.66 ? 93  SER C CA  1 
ATOM   2372 C C   . SER C 1 79  ? 14.650  8.424   18.791  1.00 12.83 ? 93  SER C C   1 
ATOM   2373 O O   . SER C 1 79  ? 14.299  8.149   17.642  1.00 14.58 ? 93  SER C O   1 
ATOM   2374 C CB  . SER C 1 79  ? 13.503  6.692   20.171  1.00 14.88 ? 93  SER C CB  1 
ATOM   2375 O OG  . SER C 1 79  ? 14.722  6.046   20.504  1.00 15.68 ? 93  SER C OG  1 
ATOM   2376 N N   . GLY C 1 80  ? 15.842  8.940   19.073  1.00 11.98 ? 94  GLY C N   1 
ATOM   2377 C CA  . GLY C 1 80  ? 16.746  9.239   17.975  1.00 12.45 ? 94  GLY C CA  1 
ATOM   2378 C C   . GLY C 1 80  ? 18.123  9.692   18.414  1.00 13.99 ? 94  GLY C C   1 
ATOM   2379 O O   . GLY C 1 80  ? 18.572  9.415   19.528  1.00 15.05 ? 94  GLY C O   1 
ATOM   2380 N N   . GLN C 1 81  ? 18.804  10.381  17.503  1.00 14.97 ? 95  GLN C N   1 
ATOM   2381 C CA  . GLN C 1 81  ? 20.127  10.908  17.800  1.00 14.71 ? 95  GLN C CA  1 
ATOM   2382 C C   . GLN C 1 81  ? 20.333  12.266  17.145  1.00 16.05 ? 95  GLN C C   1 
ATOM   2383 O O   . GLN C 1 81  ? 19.834  12.525  16.044  1.00 16.84 ? 95  GLN C O   1 
ATOM   2384 C CB  . GLN C 1 81  ? 21.250  9.945   17.406  1.00 16.70 ? 95  GLN C CB  1 
ATOM   2385 C CG  . GLN C 1 81  ? 21.262  9.489   15.965  1.00 18.55 ? 95  GLN C CG  1 
ATOM   2386 C CD  . GLN C 1 81  ? 22.415  8.531   15.695  1.00 18.71 ? 95  GLN C CD  1 
ATOM   2387 O OE1 . GLN C 1 81  ? 23.531  8.738   16.184  1.00 19.39 ? 95  GLN C OE1 1 
ATOM   2388 N NE2 . GLN C 1 81  ? 22.148  7.468   14.940  1.00 21.13 ? 95  GLN C NE2 1 
ATOM   2389 N N   . TYR C 1 82  ? 21.065  13.129  17.850  1.00 16.87 ? 96  TYR C N   1 
ATOM   2390 C CA  . TYR C 1 82  ? 21.470  14.429  17.341  1.00 16.56 ? 96  TYR C CA  1 
ATOM   2391 C C   . TYR C 1 82  ? 22.795  14.257  16.615  1.00 18.12 ? 96  TYR C C   1 
ATOM   2392 O O   . TYR C 1 82  ? 23.717  13.618  17.133  1.00 17.80 ? 96  TYR C O   1 
ATOM   2393 C CB  . TYR C 1 82  ? 21.631  15.404  18.511  1.00 16.87 ? 96  TYR C CB  1 
ATOM   2394 C CG  . TYR C 1 82  ? 22.517  16.599  18.236  1.00 19.13 ? 96  TYR C CG  1 
ATOM   2395 C CD1 . TYR C 1 82  ? 22.006  17.754  17.658  1.00 19.60 ? 96  TYR C CD1 1 
ATOM   2396 C CD2 . TYR C 1 82  ? 23.857  16.586  18.598  1.00 19.75 ? 96  TYR C CD2 1 
ATOM   2397 C CE1 . TYR C 1 82  ? 22.823  18.852  17.418  1.00 21.76 ? 96  TYR C CE1 1 
ATOM   2398 C CE2 . TYR C 1 82  ? 24.673  17.677  18.375  1.00 22.39 ? 96  TYR C CE2 1 
ATOM   2399 C CZ  . TYR C 1 82  ? 24.156  18.806  17.783  1.00 23.16 ? 96  TYR C CZ  1 
ATOM   2400 O OH  . TYR C 1 82  ? 24.982  19.890  17.559  1.00 26.51 ? 96  TYR C OH  1 
ATOM   2401 N N   . VAL C 1 83  ? 22.875  14.801  15.406  1.00 19.42 ? 97  VAL C N   1 
ATOM   2402 C CA  . VAL C 1 83  ? 24.074  14.736  14.588  1.00 23.78 ? 97  VAL C CA  1 
ATOM   2403 C C   . VAL C 1 83  ? 24.494  16.176  14.342  1.00 25.63 ? 97  VAL C C   1 
ATOM   2404 O O   . VAL C 1 83  ? 23.794  16.921  13.644  1.00 26.56 ? 97  VAL C O   1 
ATOM   2405 C CB  . VAL C 1 83  ? 23.829  13.990  13.268  1.00 26.04 ? 97  VAL C CB  1 
ATOM   2406 C CG1 . VAL C 1 83  ? 25.115  13.909  12.449  1.00 27.23 ? 97  VAL C CG1 1 
ATOM   2407 C CG2 . VAL C 1 83  ? 23.278  12.600  13.538  1.00 26.56 ? 97  VAL C CG2 1 
ATOM   2408 N N   . GLY C 1 84  ? 25.609  16.581  14.940  1.00 28.08 ? 98  GLY C N   1 
ATOM   2409 C CA  . GLY C 1 84  ? 26.112  17.922  14.765  1.00 30.64 ? 98  GLY C CA  1 
ATOM   2410 C C   . GLY C 1 84  ? 26.816  18.087  13.435  1.00 33.86 ? 98  GLY C C   1 
ATOM   2411 O O   . GLY C 1 84  ? 26.963  17.154  12.644  1.00 35.53 ? 98  GLY C O   1 
ATOM   2412 N N   . GLY C 1 85  ? 27.261  19.312  13.188  1.00 37.28 ? 99  GLY C N   1 
ATOM   2413 C CA  . GLY C 1 85  ? 27.978  19.631  11.976  1.00 39.01 ? 99  GLY C CA  1 
ATOM   2414 C C   . GLY C 1 85  ? 27.446  20.902  11.360  1.00 40.98 ? 99  GLY C C   1 
ATOM   2415 O O   . GLY C 1 85  ? 26.774  21.701  12.022  1.00 40.80 ? 99  GLY C O   1 
ATOM   2416 N N   . ALA C 1 86  ? 27.759  21.079  10.071  1.00 41.35 ? 100 ALA C N   1 
ATOM   2417 C CA  . ALA C 1 86  ? 27.384  22.299  9.362   1.00 43.01 ? 100 ALA C CA  1 
ATOM   2418 C C   . ALA C 1 86  ? 25.874  22.507  9.370   1.00 44.40 ? 100 ALA C C   1 
ATOM   2419 O O   . ALA C 1 86  ? 25.388  23.587  9.725   1.00 45.67 ? 100 ALA C O   1 
ATOM   2420 C CB  . ALA C 1 86  ? 27.927  22.264  7.933   1.00 43.31 ? 100 ALA C CB  1 
ATOM   2421 N N   . GLU C 1 87  ? 25.115  21.488  8.970   1.00 43.92 ? 101 GLU C N   1 
ATOM   2422 C CA  . GLU C 1 87  ? 23.660  21.492  9.110   1.00 41.15 ? 101 GLU C CA  1 
ATOM   2423 C C   . GLU C 1 87  ? 23.318  20.436  10.152  1.00 35.95 ? 101 GLU C C   1 
ATOM   2424 O O   . GLU C 1 87  ? 23.222  19.246  9.839   1.00 34.75 ? 101 GLU C O   1 
ATOM   2425 C CB  . GLU C 1 87  ? 22.948  21.224  7.785   1.00 44.46 ? 101 GLU C CB  1 
ATOM   2426 C CG  . GLU C 1 87  ? 21.419  21.243  7.901   1.00 47.87 ? 101 GLU C CG  1 
ATOM   2427 C CD  . GLU C 1 87  ? 20.709  21.022  6.572   1.00 51.11 ? 101 GLU C CD  1 
ATOM   2428 O OE1 . GLU C 1 87  ? 21.377  20.646  5.584   1.00 52.60 ? 101 GLU C OE1 1 
ATOM   2429 O OE2 . GLU C 1 87  ? 19.477  21.228  6.515   1.00 52.61 ? 101 GLU C OE2 1 
ATOM   2430 N N   . ALA C 1 88  ? 23.163  20.875  11.396  1.00 33.17 ? 102 ALA C N   1 
ATOM   2431 C CA  . ALA C 1 88  ? 22.814  19.956  12.464  1.00 28.62 ? 102 ALA C CA  1 
ATOM   2432 C C   . ALA C 1 88  ? 21.442  19.349  12.198  1.00 25.72 ? 102 ALA C C   1 
ATOM   2433 O O   . ALA C 1 88  ? 20.582  19.954  11.555  1.00 25.30 ? 102 ALA C O   1 
ATOM   2434 C CB  . ALA C 1 88  ? 22.823  20.682  13.810  1.00 29.08 ? 102 ALA C CB  1 
ATOM   2435 N N   . ARG C 1 89  ? 21.246  18.129  12.691  1.00 22.11 ? 103 ARG C N   1 
ATOM   2436 C CA  . ARG C 1 89  ? 20.020  17.394  12.438  1.00 21.74 ? 103 ARG C CA  1 
ATOM   2437 C C   . ARG C 1 89  ? 19.740  16.507  13.640  1.00 19.61 ? 103 ARG C C   1 
ATOM   2438 O O   . ARG C 1 89  ? 20.666  16.029  14.300  1.00 20.15 ? 103 ARG C O   1 
ATOM   2439 C CB  . ARG C 1 89  ? 20.182  16.533  11.178  1.00 24.33 ? 103 ARG C CB  1 
ATOM   2440 C CG  . ARG C 1 89  ? 18.910  15.919  10.651  0.83 25.92 ? 103 ARG C CG  1 
ATOM   2441 C CD  . ARG C 1 89  ? 19.156  15.309  9.277   0.66 27.31 ? 103 ARG C CD  1 
ATOM   2442 N NE  . ARG C 1 89  ? 19.384  16.320  8.252   1.00 28.36 ? 103 ARG C NE  1 
ATOM   2443 C CZ  . ARG C 1 89  ? 18.424  16.870  7.521   1.00 29.86 ? 103 ARG C CZ  1 
ATOM   2444 N NH1 . ARG C 1 89  ? 17.151  16.555  7.704   0.91 28.77 ? 103 ARG C NH1 1 
ATOM   2445 N NH2 . ARG C 1 89  ? 18.749  17.755  6.583   0.85 32.08 ? 103 ARG C NH2 1 
ATOM   2446 N N   . ILE C 1 90  ? 18.459  16.317  13.942  1.00 17.41 ? 104 ILE C N   1 
ATOM   2447 C CA  . ILE C 1 90  ? 18.031  15.277  14.871  1.00 16.61 ? 104 ILE C CA  1 
ATOM   2448 C C   . ILE C 1 90  ? 17.171  14.301  14.083  1.00 16.70 ? 104 ILE C C   1 
ATOM   2449 O O   . ILE C 1 90  ? 16.114  14.680  13.565  1.00 16.99 ? 104 ILE C O   1 
ATOM   2450 C CB  . ILE C 1 90  ? 17.274  15.836  16.088  1.00 15.77 ? 104 ILE C CB  1 
ATOM   2451 C CG1 . ILE C 1 90  ? 18.128  16.881  16.826  1.00 17.08 ? 104 ILE C CG1 1 
ATOM   2452 C CG2 . ILE C 1 90  ? 16.884  14.684  17.021  1.00 16.72 ? 104 ILE C CG2 1 
ATOM   2453 C CD1 . ILE C 1 90  ? 17.408  17.583  17.965  1.00 19.26 ? 104 ILE C CD1 1 
ATOM   2454 N N   . ASN C 1 91  ? 17.634  13.058  13.977  1.00 15.60 ? 105 ASN C N   1 
ATOM   2455 C CA  . ASN C 1 91  ? 16.931  12.006  13.254  1.00 15.48 ? 105 ASN C CA  1 
ATOM   2456 C C   . ASN C 1 91  ? 16.220  11.108  14.255  1.00 14.49 ? 105 ASN C C   1 
ATOM   2457 O O   . ASN C 1 91  ? 16.859  10.573  15.171  1.00 15.26 ? 105 ASN C O   1 
ATOM   2458 C CB  . ASN C 1 91  ? 17.922  11.164  12.458  1.00 18.07 ? 105 ASN C CB  1 
ATOM   2459 C CG  . ASN C 1 91  ? 18.578  11.949  11.365  1.00 21.54 ? 105 ASN C CG  1 
ATOM   2460 O OD1 . ASN C 1 91  ? 17.928  12.748  10.689  1.00 23.76 ? 105 ASN C OD1 1 
ATOM   2461 N ND2 . ASN C 1 91  ? 19.878  11.746  11.187  1.00 24.61 ? 105 ASN C ND2 1 
ATOM   2462 N N   . THR C 1 92  ? 14.912  10.924  14.068  1.00 14.50 ? 106 THR C N   1 
ATOM   2463 C CA  . THR C 1 92  ? 14.114  10.182  15.035  1.00 14.77 ? 106 THR C CA  1 
ATOM   2464 C C   . THR C 1 92  ? 13.201  9.166   14.363  1.00 13.49 ? 106 THR C C   1 
ATOM   2465 O O   . THR C 1 92  ? 12.854  9.266   13.178  1.00 14.44 ? 106 THR C O   1 
ATOM   2466 C CB  . THR C 1 92  ? 13.215  11.089  15.890  1.00 13.90 ? 106 THR C CB  1 
ATOM   2467 O OG1 . THR C 1 92  ? 12.155  11.634  15.090  1.00 14.41 ? 106 THR C OG1 1 
ATOM   2468 C CG2 . THR C 1 92  ? 14.006  12.199  16.551  1.00 15.90 ? 106 THR C CG2 1 
ATOM   2469 N N   . GLN C 1 93  ? 12.792  8.195   15.171  1.00 13.19 ? 107 GLN C N   1 
ATOM   2470 C CA  . GLN C 1 93  ? 11.609  7.390   14.920  1.00 13.11 ? 107 GLN C CA  1 
ATOM   2471 C C   . GLN C 1 93  ? 10.671  7.579   16.105  1.00 12.70 ? 107 GLN C C   1 
ATOM   2472 O O   . GLN C 1 93  ? 11.118  7.887   17.216  1.00 13.67 ? 107 GLN C O   1 
ATOM   2473 C CB  . GLN C 1 93  ? 11.997  5.929   14.703  1.00 16.76 ? 107 GLN C CB  1 
ATOM   2474 C CG  . GLN C 1 93  ? 12.898  5.807   13.473  1.00 18.63 ? 107 GLN C CG  1 
ATOM   2475 C CD  . GLN C 1 93  ? 13.228  4.390   13.083  1.00 20.65 ? 107 GLN C CD  1 
ATOM   2476 O OE1 . GLN C 1 93  ? 12.463  3.737   12.383  1.00 23.82 ? 107 GLN C OE1 1 
ATOM   2477 N NE2 . GLN C 1 93  ? 14.391  3.911   13.513  1.00 22.50 ? 107 GLN C NE2 1 
ATOM   2478 N N   . TRP C 1 94  ? 9.364   7.450   15.859  1.00 12.78 ? 108 TRP C N   1 
ATOM   2479 C CA  . TRP C 1 94  ? 8.386   7.783   16.889  1.00 11.80 ? 108 TRP C CA  1 
ATOM   2480 C C   . TRP C 1 94  ? 7.289   6.733   16.993  1.00 11.62 ? 108 TRP C C   1 
ATOM   2481 O O   . TRP C 1 94  ? 7.000   5.998   16.042  1.00 12.35 ? 108 TRP C O   1 
ATOM   2482 C CB  . TRP C 1 94  ? 7.792   9.194   16.713  1.00 12.95 ? 108 TRP C CB  1 
ATOM   2483 C CG  . TRP C 1 94  ? 7.198   9.482   15.363  1.00 12.25 ? 108 TRP C CG  1 
ATOM   2484 C CD1 . TRP C 1 94  ? 7.785   10.189  14.354  1.00 14.16 ? 108 TRP C CD1 1 
ATOM   2485 C CD2 . TRP C 1 94  ? 5.902   9.087   14.878  1.00 13.55 ? 108 TRP C CD2 1 
ATOM   2486 N NE1 . TRP C 1 94  ? 6.941   10.249  13.270  1.00 16.11 ? 108 TRP C NE1 1 
ATOM   2487 C CE2 . TRP C 1 94  ? 5.777   9.586   13.567  1.00 15.06 ? 108 TRP C CE2 1 
ATOM   2488 C CE3 . TRP C 1 94  ? 4.840   8.362   15.424  1.00 13.75 ? 108 TRP C CE3 1 
ATOM   2489 C CZ2 . TRP C 1 94  ? 4.634   9.372   12.790  1.00 14.37 ? 108 TRP C CZ2 1 
ATOM   2490 C CZ3 . TRP C 1 94  ? 3.703   8.152   14.653  1.00 12.84 ? 108 TRP C CZ3 1 
ATOM   2491 C CH2 . TRP C 1 94  ? 3.607   8.663   13.354  1.00 13.43 ? 108 TRP C CH2 1 
ATOM   2492 N N   . LEU C 1 95  ? 6.683   6.686   18.186  1.00 11.07 ? 109 LEU C N   1 
ATOM   2493 C CA  . LEU C 1 95  ? 5.532   5.846   18.501  1.00 11.43 ? 109 LEU C CA  1 
ATOM   2494 C C   . LEU C 1 95  ? 4.450   6.732   19.090  1.00 13.02 ? 109 LEU C C   1 
ATOM   2495 O O   . LEU C 1 95  ? 4.713   7.494   20.024  1.00 15.15 ? 109 LEU C O   1 
ATOM   2496 C CB  . LEU C 1 95  ? 5.891   4.780   19.541  1.00 11.65 ? 109 LEU C CB  1 
ATOM   2497 C CG  . LEU C 1 95  ? 6.930   3.752   19.095  1.00 13.30 ? 109 LEU C CG  1 
ATOM   2498 C CD1 . LEU C 1 95  ? 7.335   2.874   20.257  1.00 15.10 ? 109 LEU C CD1 1 
ATOM   2499 C CD2 . LEU C 1 95  ? 6.408   2.911   17.931  1.00 15.75 ? 109 LEU C CD2 1 
ATOM   2500 N N   . LEU C 1 96  ? 3.237   6.623   18.561  1.00 12.39 ? 110 LEU C N   1 
ATOM   2501 C CA  . LEU C 1 96  ? 2.100   7.419   19.016  1.00 11.84 ? 110 LEU C CA  1 
ATOM   2502 C C   . LEU C 1 96  ? 1.019   6.465   19.510  1.00 12.02 ? 110 LEU C C   1 
ATOM   2503 O O   . LEU C 1 96  ? 0.360   5.799   18.706  1.00 13.26 ? 110 LEU C O   1 
ATOM   2504 C CB  . LEU C 1 96  ? 1.604   8.293   17.864  1.00 13.53 ? 110 LEU C CB  1 
ATOM   2505 C CG  . LEU C 1 96  ? 0.213   8.920   17.899  1.00 15.02 ? 110 LEU C CG  1 
ATOM   2506 C CD1 . LEU C 1 96  ? -0.038  9.701   19.191  1.00 15.92 ? 110 LEU C CD1 1 
ATOM   2507 C CD2 . LEU C 1 96  ? 0.048   9.835   16.691  1.00 16.98 ? 110 LEU C CD2 1 
ATOM   2508 N N   . THR C 1 97  ? 0.842   6.388   20.832  1.00 12.38 ? 111 THR C N   1 
ATOM   2509 C CA  . THR C 1 97  ? -0.122  5.472   21.428  1.00 12.23 ? 111 THR C CA  1 
ATOM   2510 C C   . THR C 1 97  ? -1.342  6.247   21.908  1.00 12.53 ? 111 THR C C   1 
ATOM   2511 O O   . THR C 1 97  ? -1.207  7.253   22.614  1.00 14.59 ? 111 THR C O   1 
ATOM   2512 C CB  . THR C 1 97  ? 0.478   4.698   22.608  1.00 13.16 ? 111 THR C CB  1 
ATOM   2513 O OG1 . THR C 1 97  ? 1.667   4.022   22.196  1.00 13.41 ? 111 THR C OG1 1 
ATOM   2514 C CG2 . THR C 1 97  ? -0.536  3.669   23.139  1.00 14.85 ? 111 THR C CG2 1 
ATOM   2515 N N   . SER C 1 98  ? -2.528  5.760   21.549  1.00 12.95 ? 112 SER C N   1 
ATOM   2516 C CA  . SER C 1 98  ? -3.784  6.306   22.041  1.00 13.88 ? 112 SER C CA  1 
ATOM   2517 C C   . SER C 1 98  ? -4.332  5.430   23.163  1.00 15.13 ? 112 SER C C   1 
ATOM   2518 O O   . SER C 1 98  ? -4.159  4.208   23.160  1.00 15.89 ? 112 SER C O   1 
ATOM   2519 C CB  . SER C 1 98  ? -4.819  6.348   20.913  1.00 15.65 ? 112 SER C CB  1 
ATOM   2520 O OG  . SER C 1 98  ? -4.409  7.190   19.853  1.00 17.57 ? 112 SER C OG  1 
ATOM   2521 N N   . GLY C 1 99  ? -5.012  6.059   24.123  1.00 15.75 ? 113 GLY C N   1 
ATOM   2522 C CA  . GLY C 1 99  ? -5.782  5.288   25.084  1.00 16.77 ? 113 GLY C CA  1 
ATOM   2523 C C   . GLY C 1 99  ? -6.913  4.538   24.400  1.00 18.52 ? 113 GLY C C   1 
ATOM   2524 O O   . GLY C 1 99  ? -7.686  5.139   23.646  1.00 20.97 ? 113 GLY C O   1 
ATOM   2525 N N   . THR C 1 100 ? -7.019  3.228   24.623  1.00 17.75 ? 114 THR C N   1 
ATOM   2526 C CA  . THR C 1 100 ? -8.055  2.424   23.980  1.00 18.09 ? 114 THR C CA  1 
ATOM   2527 C C   . THR C 1 100 ? -8.628  1.441   24.991  1.00 18.06 ? 114 THR C C   1 
ATOM   2528 O O   . THR C 1 100 ? -8.062  1.211   26.062  1.00 17.63 ? 114 THR C O   1 
ATOM   2529 C CB  . THR C 1 100 ? -7.508  1.604   22.797  1.00 17.32 ? 114 THR C CB  1 
ATOM   2530 O OG1 . THR C 1 100 ? -6.623  0.595   23.293  1.00 17.61 ? 114 THR C OG1 1 
ATOM   2531 C CG2 . THR C 1 100 ? -6.738  2.478   21.788  1.00 18.49 ? 114 THR C CG2 1 
ATOM   2532 N N   . THR C 1 101 ? -9.763  0.845   24.633  1.00 17.92 ? 115 THR C N   1 
ATOM   2533 C CA  . THR C 1 101 ? -10.210 -0.337  25.344  1.00 20.19 ? 115 THR C CA  1 
ATOM   2534 C C   . THR C 1 101 ? -9.295  -1.508  25.002  1.00 19.89 ? 115 THR C C   1 
ATOM   2535 O O   . THR C 1 101 ? -8.502  -1.461  24.054  1.00 20.36 ? 115 THR C O   1 
ATOM   2536 C CB  . THR C 1 101 ? -11.619 -0.705  24.905  1.00 23.83 ? 115 THR C CB  1 
ATOM   2537 O OG1 . THR C 1 101 ? -11.597 -1.021  23.506  1.00 24.86 ? 115 THR C OG1 1 
ATOM   2538 C CG2 . THR C 1 101 ? -12.578 0.448   25.161  1.00 25.70 ? 115 THR C CG2 1 
ATOM   2539 N N   . GLU C 1 102 ? -9.421  -2.585  25.779  1.00 21.72 ? 116 GLU C N   1 
ATOM   2540 C CA  . GLU C 1 102 ? -8.604  -3.764  25.516  1.00 24.50 ? 116 GLU C CA  1 
ATOM   2541 C C   . GLU C 1 102 ? -8.887  -4.328  24.129  1.00 22.36 ? 116 GLU C C   1 
ATOM   2542 O O   . GLU C 1 102 ? -7.960  -4.712  23.409  1.00 21.99 ? 116 GLU C O   1 
ATOM   2543 C CB  . GLU C 1 102 ? -8.831  -4.820  26.596  1.00 28.89 ? 116 GLU C CB  1 
ATOM   2544 C CG  . GLU C 1 102 ? -7.865  -5.979  26.506  1.00 35.31 ? 116 GLU C CG  1 
ATOM   2545 C CD  . GLU C 1 102 ? -6.419  -5.520  26.501  1.00 41.52 ? 116 GLU C CD  1 
ATOM   2546 O OE1 . GLU C 1 102 ? -6.026  -4.774  27.427  1.00 44.23 ? 116 GLU C OE1 1 
ATOM   2547 O OE2 . GLU C 1 102 ? -5.680  -5.893  25.562  1.00 43.75 ? 116 GLU C OE2 1 
ATOM   2548 N N   . ALA C 1 103 ? -10.158 -4.362  23.725  1.00 22.39 ? 117 ALA C N   1 
ATOM   2549 C CA  . ALA C 1 103 ? -10.497 -4.933  22.425  1.00 23.01 ? 117 ALA C CA  1 
ATOM   2550 C C   . ALA C 1 103 ? -9.869  -4.161  21.268  1.00 22.62 ? 117 ALA C C   1 
ATOM   2551 O O   . ALA C 1 103 ? -9.640  -4.742  20.199  1.00 23.53 ? 117 ALA C O   1 
ATOM   2552 C CB  . ALA C 1 103 ? -12.016 -4.994  22.261  1.00 24.76 ? 117 ALA C CB  1 
ATOM   2553 N N   . ASN C 1 104 ? -9.580  -2.876  21.455  1.00 19.54 ? 118 ASN C N   1 
ATOM   2554 C CA  . ASN C 1 104 ? -9.003  -2.040  20.409  1.00 20.07 ? 118 ASN C CA  1 
ATOM   2555 C C   . ASN C 1 104 ? -7.516  -1.792  20.603  1.00 17.68 ? 118 ASN C C   1 
ATOM   2556 O O   . ASN C 1 104 ? -6.919  -1.039  19.829  1.00 18.34 ? 118 ASN C O   1 
ATOM   2557 C CB  . ASN C 1 104 ? -9.740  -0.700  20.337  1.00 21.48 ? 118 ASN C CB  1 
ATOM   2558 C CG  . ASN C 1 104 ? -11.146 -0.841  19.800  1.00 25.17 ? 118 ASN C CG  1 
ATOM   2559 O OD1 . ASN C 1 104 ? -11.423 -1.690  18.942  1.00 27.50 ? 118 ASN C OD1 1 
ATOM   2560 N ND2 . ASN C 1 104 ? -12.048 -0.006  20.299  1.00 26.06 ? 118 ASN C ND2 1 
ATOM   2561 N N   . ALA C 1 105 ? -6.904  -2.410  21.610  1.00 16.24 ? 119 ALA C N   1 
ATOM   2562 C CA  . ALA C 1 105 ? -5.509  -2.121  21.915  1.00 16.02 ? 119 ALA C CA  1 
ATOM   2563 C C   . ALA C 1 105 ? -4.569  -2.540  20.787  1.00 15.83 ? 119 ALA C C   1 
ATOM   2564 O O   . ALA C 1 105 ? -3.490  -1.958  20.638  1.00 16.97 ? 119 ALA C O   1 
ATOM   2565 C CB  . ALA C 1 105 ? -5.123  -2.779  23.239  1.00 16.88 ? 119 ALA C CB  1 
ATOM   2566 N N   . TRP C 1 106 ? -4.956  -3.527  19.977  1.00 17.77 ? 120 TRP C N   1 
ATOM   2567 C CA  . TRP C 1 106 ? -4.060  -3.983  18.914  1.00 17.84 ? 120 TRP C CA  1 
ATOM   2568 C C   . TRP C 1 106 ? -3.767  -2.875  17.910  1.00 17.93 ? 120 TRP C C   1 
ATOM   2569 O O   . TRP C 1 106 ? -2.705  -2.876  17.281  1.00 17.65 ? 120 TRP C O   1 
ATOM   2570 C CB  . TRP C 1 106 ? -4.653  -5.202  18.204  1.00 19.04 ? 120 TRP C CB  1 
ATOM   2571 C CG  . TRP C 1 106 ? -5.872  -4.861  17.404  1.00 19.98 ? 120 TRP C CG  1 
ATOM   2572 C CD1 . TRP C 1 106 ? -7.163  -4.817  17.854  1.00 20.88 ? 120 TRP C CD1 1 
ATOM   2573 C CD2 . TRP C 1 106 ? -5.918  -4.498  16.017  1.00 20.64 ? 120 TRP C CD2 1 
ATOM   2574 N NE1 . TRP C 1 106 ? -8.007  -4.456  16.831  1.00 21.75 ? 120 TRP C NE1 1 
ATOM   2575 C CE2 . TRP C 1 106 ? -7.267  -4.251  15.695  1.00 21.57 ? 120 TRP C CE2 1 
ATOM   2576 C CE3 . TRP C 1 106 ? -4.947  -4.354  15.019  1.00 23.27 ? 120 TRP C CE3 1 
ATOM   2577 C CZ2 . TRP C 1 106 ? -7.673  -3.875  14.411  1.00 24.06 ? 120 TRP C CZ2 1 
ATOM   2578 C CZ3 . TRP C 1 106 ? -5.351  -3.981  13.748  1.00 23.67 ? 120 TRP C CZ3 1 
ATOM   2579 C CH2 . TRP C 1 106 ? -6.703  -3.747  13.455  1.00 23.99 ? 120 TRP C CH2 1 
ATOM   2580 N N   . LYS C 1 107 ? -4.689  -1.925  17.745  1.00 16.59 ? 121 LYS C N   1 
ATOM   2581 C CA  . LYS C 1 107 ? -4.524  -0.829  16.800  1.00 17.19 ? 121 LYS C CA  1 
ATOM   2582 C C   . LYS C 1 107 ? -4.283  0.509   17.504  1.00 16.10 ? 121 LYS C C   1 
ATOM   2583 O O   . LYS C 1 107 ? -4.590  1.570   16.958  1.00 18.05 ? 121 LYS C O   1 
ATOM   2584 C CB  . LYS C 1 107 ? -5.711  -0.759  15.841  1.00 18.91 ? 121 LYS C CB  1 
ATOM   2585 C CG  . LYS C 1 107 ? -7.058  -0.623  16.529  1.00 20.75 ? 121 LYS C CG  1 
ATOM   2586 C CD  . LYS C 1 107 ? -8.173  -0.401  15.523  1.00 22.98 ? 121 LYS C CD  1 
ATOM   2587 C CE  . LYS C 1 107 ? -9.515  -0.284  16.227  1.00 24.74 ? 121 LYS C CE  1 
ATOM   2588 N NZ  . LYS C 1 107 ? -10.637 -0.076  15.265  1.00 28.42 ? 121 LYS C NZ  1 
ATOM   2589 N N   . SER C 1 108 ? -3.692  0.472   18.697  1.00 14.67 ? 122 SER C N   1 
ATOM   2590 C CA  . SER C 1 108 ? -3.502  1.674   19.504  1.00 13.56 ? 122 SER C CA  1 
ATOM   2591 C C   . SER C 1 108 ? -2.264  2.494   19.140  1.00 12.81 ? 122 SER C C   1 
ATOM   2592 O O   . SER C 1 108 ? -2.160  3.638   19.603  1.00 13.03 ? 122 SER C O   1 
ATOM   2593 C CB  . SER C 1 108 ? -3.367  1.297   20.984  1.00 14.42 ? 122 SER C CB  1 
ATOM   2594 O OG  . SER C 1 108 ? -2.164  0.568   21.200  1.00 17.49 ? 122 SER C OG  1 
ATOM   2595 N N   . THR C 1 109 ? -1.319  1.969   18.356  1.00 12.13 ? 123 THR C N   1 
ATOM   2596 C CA  . THR C 1 109 ? 0.004   2.590   18.243  1.00 12.39 ? 123 THR C CA  1 
ATOM   2597 C C   . THR C 1 109 ? 0.393   2.793   16.784  1.00 12.50 ? 123 THR C C   1 
ATOM   2598 O O   . THR C 1 109 ? 0.509   1.821   16.028  1.00 12.82 ? 123 THR C O   1 
ATOM   2599 C CB  . THR C 1 109 ? 1.070   1.732   18.938  1.00 13.55 ? 123 THR C CB  1 
ATOM   2600 O OG1 . THR C 1 109 ? 0.625   1.377   20.253  1.00 13.46 ? 123 THR C OG1 1 
ATOM   2601 C CG2 . THR C 1 109 ? 2.379   2.501   19.052  1.00 15.12 ? 123 THR C CG2 1 
ATOM   2602 N N   . LEU C 1 110 ? 0.627   4.051   16.408  1.00 10.89 ? 124 LEU C N   1 
ATOM   2603 C CA  . LEU C 1 110 ? 1.182   4.409   15.109  1.00 10.06 ? 124 LEU C CA  1 
ATOM   2604 C C   . LEU C 1 110 ? 2.699   4.569   15.210  1.00 10.83 ? 124 LEU C C   1 
ATOM   2605 O O   . LEU C 1 110 ? 3.235   4.901   16.267  1.00 12.11 ? 124 LEU C O   1 
ATOM   2606 C CB  . LEU C 1 110 ? 0.571   5.731   14.637  1.00 11.32 ? 124 LEU C CB  1 
ATOM   2607 C CG  . LEU C 1 110 ? -0.926  5.714   14.313  1.00 13.04 ? 124 LEU C CG  1 
ATOM   2608 C CD1 . LEU C 1 110 ? -1.488  7.118   14.338  1.00 15.14 ? 124 LEU C CD1 1 
ATOM   2609 C CD2 . LEU C 1 110 ? -1.161  5.084   12.952  1.00 13.48 ? 124 LEU C CD2 1 
ATOM   2610 N N   . VAL C 1 111 ? 3.389   4.346   14.089  1.00 11.33 ? 125 VAL C N   1 
ATOM   2611 C CA  . VAL C 1 111 ? 4.846   4.462   14.031  1.00 11.41 ? 125 VAL C CA  1 
ATOM   2612 C C   . VAL C 1 111 ? 5.236   5.286   12.808  1.00 11.41 ? 125 VAL C C   1 
ATOM   2613 O O   . VAL C 1 111 ? 4.591   5.200   11.755  1.00 12.83 ? 125 VAL C O   1 
ATOM   2614 C CB  . VAL C 1 111 ? 5.528   3.067   14.027  1.00 13.01 ? 125 VAL C CB  1 
ATOM   2615 C CG1 . VAL C 1 111 ? 5.082   2.232   12.828  1.00 13.09 ? 125 VAL C CG1 1 
ATOM   2616 C CG2 . VAL C 1 111 ? 7.063   3.166   14.100  1.00 12.44 ? 125 VAL C CG2 1 
ATOM   2617 N N   . GLY C 1 112 ? 6.293   6.079   12.949  1.00 10.86 ? 126 GLY C N   1 
ATOM   2618 C CA  . GLY C 1 112 ? 6.847   6.790   11.814  1.00 10.67 ? 126 GLY C CA  1 
ATOM   2619 C C   . GLY C 1 112 ? 8.225   7.332   12.131  1.00 12.54 ? 126 GLY C C   1 
ATOM   2620 O O   . GLY C 1 112 ? 8.862   6.935   13.111  1.00 13.56 ? 126 GLY C O   1 
ATOM   2621 N N   . HIS C 1 113 ? 8.685   8.252   11.280  1.00 12.80 ? 127 HIS C N   1 
ATOM   2622 C CA  . HIS C 1 113 ? 10.009  8.846   11.437  1.00 15.63 ? 127 HIS C CA  1 
ATOM   2623 C C   . HIS C 1 113 ? 9.967   10.338  11.127  1.00 16.02 ? 127 HIS C C   1 
ATOM   2624 O O   . HIS C 1 113 ? 9.357   10.762  10.141  1.00 16.49 ? 127 HIS C O   1 
ATOM   2625 C CB  . HIS C 1 113 ? 11.055  8.126   10.566  1.00 16.52 ? 127 HIS C CB  1 
ATOM   2626 C CG  . HIS C 1 113 ? 10.616  7.900   9.152   1.00 18.61 ? 127 HIS C CG  1 
ATOM   2627 N ND1 . HIS C 1 113 ? 11.027  8.700   8.105   1.00 22.33 ? 127 HIS C ND1 1 
ATOM   2628 C CD2 . HIS C 1 113 ? 9.816   6.952   8.609   1.00 18.20 ? 127 HIS C CD2 1 
ATOM   2629 C CE1 . HIS C 1 113 ? 10.482  8.267   6.983   1.00 21.75 ? 127 HIS C CE1 1 
ATOM   2630 N NE2 . HIS C 1 113 ? 9.745   7.206   7.261   1.00 22.58 ? 127 HIS C NE2 1 
ATOM   2631 N N   . ASP C 1 114 ? 10.622  11.129  11.977  1.00 14.70 ? 128 ASP C N   1 
ATOM   2632 C CA  . ASP C 1 114 ? 10.712  12.575  11.814  1.00 15.16 ? 128 ASP C CA  1 
ATOM   2633 C C   . ASP C 1 114 ? 12.179  12.973  11.784  1.00 15.15 ? 128 ASP C C   1 
ATOM   2634 O O   . ASP C 1 114 ? 12.971  12.485  12.594  1.00 16.27 ? 128 ASP C O   1 
ATOM   2635 C CB  . ASP C 1 114 ? 10.102  13.306  13.018  1.00 15.59 ? 128 ASP C CB  1 
ATOM   2636 C CG  . ASP C 1 114 ? 8.590   13.391  12.967  1.00 17.51 ? 128 ASP C CG  1 
ATOM   2637 O OD1 . ASP C 1 114 ? 7.976   12.874  12.011  1.00 19.01 ? 128 ASP C OD1 1 
ATOM   2638 O OD2 . ASP C 1 114 ? 8.017   13.974  13.910  1.00 15.98 ? 128 ASP C OD2 1 
ATOM   2639 N N   . THR C 1 115 ? 12.544  13.875  10.872  1.00 14.90 ? 129 THR C N   1 
ATOM   2640 C CA  . THR C 1 115 ? 13.866  14.492  10.886  1.00 16.63 ? 129 THR C CA  1 
ATOM   2641 C C   . THR C 1 115 ? 13.722  15.986  11.157  1.00 17.82 ? 129 THR C C   1 
ATOM   2642 O O   . THR C 1 115 ? 12.849  16.647  10.578  1.00 18.82 ? 129 THR C O   1 
ATOM   2643 C CB  . THR C 1 115 ? 14.644  14.210  9.592   1.00 19.43 ? 129 THR C CB  1 
ATOM   2644 O OG1 . THR C 1 115 ? 15.957  14.788  9.686   1.00 20.90 ? 129 THR C OG1 1 
ATOM   2645 C CG2 . THR C 1 115 ? 13.927  14.770  8.375   1.00 21.48 ? 129 THR C CG2 1 
ATOM   2646 N N   . PHE C 1 116 ? 14.559  16.503  12.057  1.00 17.07 ? 130 PHE C N   1 
ATOM   2647 C CA  . PHE C 1 116 ? 14.484  17.880  12.531  1.00 16.61 ? 130 PHE C CA  1 
ATOM   2648 C C   . PHE C 1 116 ? 15.729  18.647  12.109  1.00 17.40 ? 130 PHE C C   1 
ATOM   2649 O O   . PHE C 1 116 ? 16.850  18.143  12.226  1.00 18.30 ? 130 PHE C O   1 
ATOM   2650 C CB  . PHE C 1 116 ? 14.400  17.925  14.064  1.00 16.78 ? 130 PHE C CB  1 
ATOM   2651 C CG  . PHE C 1 116 ? 13.124  17.341  14.631  1.00 15.01 ? 130 PHE C CG  1 
ATOM   2652 C CD1 . PHE C 1 116 ? 13.012  15.973  14.881  1.00 16.03 ? 130 PHE C CD1 1 
ATOM   2653 C CD2 . PHE C 1 116 ? 12.043  18.164  14.929  1.00 15.66 ? 130 PHE C CD2 1 
ATOM   2654 C CE1 . PHE C 1 116 ? 11.850  15.431  15.402  1.00 14.28 ? 130 PHE C CE1 1 
ATOM   2655 C CE2 . PHE C 1 116 ? 10.868  17.623  15.445  1.00 15.68 ? 130 PHE C CE2 1 
ATOM   2656 C CZ  . PHE C 1 116 ? 10.779  16.252  15.687  1.00 15.27 ? 130 PHE C CZ  1 
ATOM   2657 N N   . THR C 1 117 ? 15.529  19.870  11.618  1.00 19.11 ? 131 THR C N   1 
ATOM   2658 C CA  . THR C 1 117 ? 16.624  20.790  11.344  1.00 20.41 ? 131 THR C CA  1 
ATOM   2659 C C   . THR C 1 117 ? 16.297  22.139  11.967  1.00 21.13 ? 131 THR C C   1 
ATOM   2660 O O   . THR C 1 117 ? 15.184  22.382  12.435  1.00 19.71 ? 131 THR C O   1 
ATOM   2661 C CB  . THR C 1 117 ? 16.857  20.983  9.838   1.00 22.86 ? 131 THR C CB  1 
ATOM   2662 O OG1 . THR C 1 117 ? 15.780  21.750  9.291   1.00 26.73 ? 131 THR C OG1 1 
ATOM   2663 C CG2 . THR C 1 117 ? 16.944  19.643  9.110   1.00 23.27 ? 131 THR C CG2 1 
ATOM   2664 N N   . LYS C 1 118 ? 17.271  23.041  11.944  1.00 24.22 ? 132 LYS C N   1 
ATOM   2665 C CA  . LYS C 1 118 ? 17.064  24.371  12.493  1.00 26.35 ? 132 LYS C CA  1 
ATOM   2666 C C   . LYS C 1 118 ? 16.432  25.333  11.492  1.00 26.18 ? 132 LYS C C   1 
ATOM   2667 O O   . LYS C 1 118 ? 16.268  26.513  11.806  1.00 27.76 ? 132 LYS C O   1 
ATOM   2668 C CB  . LYS C 1 118 ? 18.371  24.921  13.070  1.00 31.23 ? 132 LYS C CB  1 
ATOM   2669 C CG  . LYS C 1 118 ? 18.954  24.035  14.172  1.00 32.70 ? 132 LYS C CG  1 
ATOM   2670 C CD  . LYS C 1 118 ? 19.174  24.794  15.478  1.00 35.60 ? 132 LYS C CD  1 
ATOM   2671 C CE  . LYS C 1 118 ? 20.004  23.965  16.444  1.00 36.99 ? 132 LYS C CE  1 
ATOM   2672 N NZ  . LYS C 1 118 ? 20.513  24.737  17.608  1.00 39.47 ? 132 LYS C NZ  1 
ATOM   2673 N N   . VAL C 1 119 ? 16.040  24.845  10.315  1.00 26.78 ? 133 VAL C N   1 
ATOM   2674 C CA  . VAL C 1 119 ? 15.438  25.661  9.267   1.00 29.42 ? 133 VAL C CA  1 
ATOM   2675 C C   . VAL C 1 119 ? 14.054  25.114  8.938   1.00 32.03 ? 133 VAL C C   1 
ATOM   2676 O O   . VAL C 1 119 ? 13.859  23.895  8.876   1.00 32.64 ? 133 VAL C O   1 
ATOM   2677 C CB  . VAL C 1 119 ? 16.335  25.672  8.012   1.00 31.97 ? 133 VAL C CB  1 
ATOM   2678 C CG1 . VAL C 1 119 ? 15.627  26.334  6.861   1.00 33.67 ? 133 VAL C CG1 1 
ATOM   2679 C CG2 . VAL C 1 119 ? 17.646  26.384  8.306   1.00 33.20 ? 133 VAL C CG2 1 
ATOM   2680 N N   . LYS C 1 120 ? 13.098  26.017  8.729   1.00 36.07 ? 134 LYS C N   1 
ATOM   2681 C CA  . LYS C 1 120 ? 11.766  25.620  8.288   1.00 39.83 ? 134 LYS C CA  1 
ATOM   2682 C C   . LYS C 1 120 ? 11.854  24.855  6.970   1.00 41.17 ? 134 LYS C C   1 
ATOM   2683 O O   . LYS C 1 120 ? 12.604  25.252  6.067   1.00 40.56 ? 134 LYS C O   1 
ATOM   2684 C CB  . LYS C 1 120 ? 10.894  26.858  8.071   1.00 42.51 ? 134 LYS C CB  1 
ATOM   2685 C CG  . LYS C 1 120 ? 10.369  27.503  9.338   1.00 43.42 ? 134 LYS C CG  1 
ATOM   2686 C CD  . LYS C 1 120 ? 9.406   26.587  10.063  1.00 44.46 ? 134 LYS C CD  1 
ATOM   2687 C CE  . LYS C 1 120 ? 8.107   26.364  9.311   1.00 46.18 ? 134 LYS C CE  1 
ATOM   2688 N NZ  . LYS C 1 120 ? 7.152   25.570  10.150  1.00 47.04 ? 134 LYS C NZ  1 
ATOM   2689 N N   . PRO C 1 121 ? 11.089  23.764  6.811   1.00 42.63 ? 135 PRO C N   1 
ATOM   2690 C CA  . PRO C 1 121 ? 11.081  22.981  5.570   1.00 44.64 ? 135 PRO C CA  1 
ATOM   2691 C C   . PRO C 1 121 ? 10.486  23.760  4.403   1.00 46.21 ? 135 PRO C C   1 
ATOM   2692 O O   . PRO C 1 121 ? 11.037  23.689  3.304   1.00 47.72 ? 135 PRO C O   1 
ATOM   2693 C CB  . PRO C 1 121 ? 10.188  21.786  5.918   1.00 44.36 ? 135 PRO C CB  1 
ATOM   2694 C CG  . PRO C 1 121 ? 9.315   22.272  7.026   1.00 43.46 ? 135 PRO C CG  1 
ATOM   2695 C CD  . PRO C 1 121 ? 10.172  23.209  7.822   1.00 42.61 ? 135 PRO C CD  1 
ATOM   2696 N N   . ALA D 1 1   ? -0.158  -1.018  -12.799 1.00 37.60 ? 15  ALA D N   1 
ATOM   2697 C CA  . ALA D 1 1   ? 0.201   -1.040  -11.385 1.00 37.25 ? 15  ALA D CA  1 
ATOM   2698 C C   . ALA D 1 1   ? 1.448   -0.200  -11.109 1.00 34.57 ? 15  ALA D C   1 
ATOM   2699 O O   . ALA D 1 1   ? 1.591   0.362   -10.021 1.00 36.19 ? 15  ALA D O   1 
ATOM   2700 C CB  . ALA D 1 1   ? 0.399   -2.473  -10.905 1.00 39.01 ? 15  ALA D CB  1 
ATOM   2701 N N   . GLY D 1 2   ? 2.342   -0.121  -12.099 1.00 30.04 ? 16  GLY D N   1 
ATOM   2702 C CA  . GLY D 1 2   ? 3.550   0.675   -11.998 1.00 25.81 ? 16  GLY D CA  1 
ATOM   2703 C C   . GLY D 1 2   ? 4.620   0.124   -11.080 1.00 21.78 ? 16  GLY D C   1 
ATOM   2704 O O   . GLY D 1 2   ? 5.681   0.743   -10.951 1.00 22.27 ? 16  GLY D O   1 
ATOM   2705 N N   . ILE D 1 3   ? 4.385   -1.022  -10.450 1.00 21.31 ? 17  ILE D N   1 
ATOM   2706 C CA  . ILE D 1 3   ? 5.325   -1.571  -9.476  1.00 19.69 ? 17  ILE D CA  1 
ATOM   2707 C C   . ILE D 1 3   ? 6.415   -2.406  -10.140 1.00 16.55 ? 17  ILE D C   1 
ATOM   2708 O O   . ILE D 1 3   ? 7.574   -2.357  -9.723  1.00 16.35 ? 17  ILE D O   1 
ATOM   2709 C CB  . ILE D 1 3   ? 4.547   -2.363  -8.401  1.00 18.38 ? 17  ILE D CB  1 
ATOM   2710 C CG1 . ILE D 1 3   ? 3.683   -1.418  -7.559  1.00 20.26 ? 17  ILE D CG1 1 
ATOM   2711 C CG2 . ILE D 1 3   ? 5.485   -3.179  -7.514  1.00 18.55 ? 17  ILE D CG2 1 
ATOM   2712 C CD1 . ILE D 1 3   ? 2.639   -2.143  -6.707  1.00 22.17 ? 17  ILE D CD1 1 
ATOM   2713 N N   . THR D 1 4   ? 6.073   -3.184  -11.169 1.00 17.03 ? 18  THR D N   1 
ATOM   2714 C CA  . THR D 1 4   ? 7.042   -4.079  -11.792 1.00 16.99 ? 18  THR D CA  1 
ATOM   2715 C C   . THR D 1 4   ? 8.220   -3.288  -12.347 1.00 17.94 ? 18  THR D C   1 
ATOM   2716 O O   . THR D 1 4   ? 8.038   -2.280  -13.036 1.00 19.22 ? 18  THR D O   1 
ATOM   2717 C CB  . THR D 1 4   ? 6.374   -4.865  -12.926 1.00 17.93 ? 18  THR D CB  1 
ATOM   2718 O OG1 . THR D 1 4   ? 5.396   -5.761  -12.385 1.00 19.18 ? 18  THR D OG1 1 
ATOM   2719 C CG2 . THR D 1 4   ? 7.407   -5.669  -13.724 1.00 18.98 ? 18  THR D CG2 1 
ATOM   2720 N N   . GLY D 1 5   ? 9.423   -3.740  -12.032 1.00 16.11 ? 19  GLY D N   1 
ATOM   2721 C CA  . GLY D 1 5   ? 10.634  -3.128  -12.522 1.00 15.68 ? 19  GLY D CA  1 
ATOM   2722 C C   . GLY D 1 5   ? 11.692  -3.098  -11.442 1.00 15.82 ? 19  GLY D C   1 
ATOM   2723 O O   . GLY D 1 5   ? 11.580  -3.770  -10.417 1.00 15.51 ? 19  GLY D O   1 
ATOM   2724 N N   . THR D 1 6   ? 12.719  -2.287  -11.681 1.00 17.26 ? 20  THR D N   1 
ATOM   2725 C CA  . THR D 1 6   ? 13.860  -2.171  -10.788 1.00 16.95 ? 20  THR D CA  1 
ATOM   2726 C C   . THR D 1 6   ? 13.724  -0.912  -9.944  1.00 17.04 ? 20  THR D C   1 
ATOM   2727 O O   . THR D 1 6   ? 13.377  0.155   -10.457 1.00 19.48 ? 20  THR D O   1 
ATOM   2728 C CB  . THR D 1 6   ? 15.151  -2.107  -11.613 1.00 17.48 ? 20  THR D CB  1 
ATOM   2729 O OG1 . THR D 1 6   ? 15.247  -3.281  -12.432 1.00 19.79 ? 20  THR D OG1 1 
ATOM   2730 C CG2 . THR D 1 6   ? 16.362  -2.045  -10.711 1.00 18.93 ? 20  THR D CG2 1 
ATOM   2731 N N   . TRP D 1 7   ? 13.990  -1.048  -8.643  1.00 15.05 ? 21  TRP D N   1 
ATOM   2732 C CA  . TRP D 1 7   ? 13.902  0.050   -7.693  1.00 15.20 ? 21  TRP D CA  1 
ATOM   2733 C C   . TRP D 1 7   ? 15.216  0.175   -6.933  1.00 15.42 ? 21  TRP D C   1 
ATOM   2734 O O   . TRP D 1 7   ? 15.955  -0.802  -6.771  1.00 16.27 ? 21  TRP D O   1 
ATOM   2735 C CB  . TRP D 1 7   ? 12.750  -0.187  -6.701  1.00 15.71 ? 21  TRP D CB  1 
ATOM   2736 C CG  . TRP D 1 7   ? 11.389  -0.154  -7.345  1.00 16.48 ? 21  TRP D CG  1 
ATOM   2737 C CD1 . TRP D 1 7   ? 10.736  -1.189  -7.962  1.00 16.37 ? 21  TRP D CD1 1 
ATOM   2738 C CD2 . TRP D 1 7   ? 10.514  0.978   -7.428  1.00 15.69 ? 21  TRP D CD2 1 
ATOM   2739 N NE1 . TRP D 1 7   ? 9.508   -0.762  -8.429  1.00 16.57 ? 21  TRP D NE1 1 
ATOM   2740 C CE2 . TRP D 1 7   ? 9.349   0.561   -8.107  1.00 15.19 ? 21  TRP D CE2 1 
ATOM   2741 C CE3 . TRP D 1 7   ? 10.601  2.305   -6.989  1.00 14.96 ? 21  TRP D CE3 1 
ATOM   2742 C CZ2 . TRP D 1 7   ? 8.283   1.424   -8.362  1.00 16.95 ? 21  TRP D CZ2 1 
ATOM   2743 C CZ3 . TRP D 1 7   ? 9.537   3.162   -7.244  1.00 14.47 ? 21  TRP D CZ3 1 
ATOM   2744 C CH2 . TRP D 1 7   ? 8.394   2.715   -7.923  1.00 16.02 ? 21  TRP D CH2 1 
ATOM   2745 N N   . TYR D 1 8   ? 15.509  1.391   -6.470  1.00 15.54 ? 22  TYR D N   1 
ATOM   2746 C CA  . TYR D 1 8   ? 16.760  1.684   -5.785  1.00 15.79 ? 22  TYR D CA  1 
ATOM   2747 C C   . TYR D 1 8   ? 16.449  2.448   -4.509  1.00 16.06 ? 22  TYR D C   1 
ATOM   2748 O O   . TYR D 1 8   ? 15.674  3.406   -4.538  1.00 16.46 ? 22  TYR D O   1 
ATOM   2749 C CB  . TYR D 1 8   ? 17.666  2.551   -6.677  1.00 15.36 ? 22  TYR D CB  1 
ATOM   2750 C CG  . TYR D 1 8   ? 17.938  1.956   -8.045  1.00 16.50 ? 22  TYR D CG  1 
ATOM   2751 C CD1 . TYR D 1 8   ? 17.095  2.218   -9.122  1.00 17.33 ? 22  TYR D CD1 1 
ATOM   2752 C CD2 . TYR D 1 8   ? 19.029  1.126   -8.257  1.00 17.23 ? 22  TYR D CD2 1 
ATOM   2753 C CE1 . TYR D 1 8   ? 17.335  1.672   -10.371 1.00 17.74 ? 22  TYR D CE1 1 
ATOM   2754 C CE2 . TYR D 1 8   ? 19.282  0.577   -9.499  1.00 17.49 ? 22  TYR D CE2 1 
ATOM   2755 C CZ  . TYR D 1 8   ? 18.434  0.848   -10.554 1.00 16.99 ? 22  TYR D CZ  1 
ATOM   2756 O OH  . TYR D 1 8   ? 18.691  0.296   -11.787 1.00 18.31 ? 22  TYR D OH  1 
ATOM   2757 N N   . ASN D 1 9   ? 17.067  2.046   -3.399  1.00 17.15 ? 23  ASN D N   1 
ATOM   2758 C CA  . ASN D 1 9   ? 16.858  2.745   -2.139  1.00 20.05 ? 23  ASN D CA  1 
ATOM   2759 C C   . ASN D 1 9   ? 17.901  3.845   -1.972  1.00 22.78 ? 23  ASN D C   1 
ATOM   2760 O O   . ASN D 1 9   ? 18.707  4.117   -2.865  1.00 22.36 ? 23  ASN D O   1 
ATOM   2761 C CB  . ASN D 1 9   ? 16.752  1.778   -0.949  1.00 19.21 ? 23  ASN D CB  1 
ATOM   2762 C CG  . ASN D 1 9   ? 18.106  1.340   -0.393  1.00 21.10 ? 23  ASN D CG  1 
ATOM   2763 O OD1 . ASN D 1 9   ? 19.154  1.580   -0.984  1.00 21.62 ? 23  ASN D OD1 1 
ATOM   2764 N ND2 . ASN D 1 9   ? 18.073  0.665   0.749   1.00 22.04 ? 23  ASN D ND2 1 
ATOM   2765 N N   . GLN D 1 10  ? 17.911  4.460   -0.792  1.00 24.76 ? 24  GLN D N   1 
ATOM   2766 C CA  . GLN D 1 10  ? 18.755  5.609   -0.522  1.00 27.97 ? 24  GLN D CA  1 
ATOM   2767 C C   . GLN D 1 10  ? 20.193  5.235   -0.173  1.00 30.47 ? 24  GLN D C   1 
ATOM   2768 O O   . GLN D 1 10  ? 21.034  6.135   -0.064  1.00 34.17 ? 24  GLN D O   1 
ATOM   2769 C CB  . GLN D 1 10  ? 18.118  6.451   0.594   1.00 28.26 ? 24  GLN D CB  1 
ATOM   2770 C CG  . GLN D 1 10  ? 18.194  5.840   2.005   1.00 29.60 ? 24  GLN D CG  1 
ATOM   2771 C CD  . GLN D 1 10  ? 17.218  4.681   2.265   1.00 28.73 ? 24  GLN D CD  1 
ATOM   2772 O OE1 . GLN D 1 10  ? 16.357  4.357   1.440   1.00 26.54 ? 24  GLN D OE1 1 
ATOM   2773 N NE2 . GLN D 1 10  ? 17.355  4.059   3.434   1.00 29.07 ? 24  GLN D NE2 1 
ATOM   2774 N N   . LEU D 1 11  ? 20.507  3.940   -0.035  1.00 29.79 ? 25  LEU D N   1 
ATOM   2775 C CA  . LEU D 1 11  ? 21.790  3.501   0.509   1.00 30.08 ? 25  LEU D CA  1 
ATOM   2776 C C   . LEU D 1 11  ? 22.517  2.498   -0.382  1.00 31.41 ? 25  LEU D C   1 
ATOM   2777 O O   . LEU D 1 11  ? 23.390  1.771   0.105   1.00 34.99 ? 25  LEU D O   1 
ATOM   2778 C CB  . LEU D 1 11  ? 21.615  2.909   1.910   1.00 30.61 ? 25  LEU D CB  1 
ATOM   2779 C CG  . LEU D 1 11  ? 21.229  3.865   3.037   1.00 32.50 ? 25  LEU D CG  1 
ATOM   2780 C CD1 . LEU D 1 11  ? 21.010  3.093   4.329   1.00 33.07 ? 25  LEU D CD1 1 
ATOM   2781 C CD2 . LEU D 1 11  ? 22.292  4.937   3.223   1.00 32.51 ? 25  LEU D CD2 1 
ATOM   2782 N N   . GLY D 1 12  ? 22.181  2.423   -1.663  1.00 29.63 ? 26  GLY D N   1 
ATOM   2783 C CA  . GLY D 1 12  ? 22.900  1.565   -2.580  1.00 29.92 ? 26  GLY D CA  1 
ATOM   2784 C C   . GLY D 1 12  ? 22.339  0.175   -2.792  1.00 28.24 ? 26  GLY D C   1 
ATOM   2785 O O   . GLY D 1 12  ? 23.039  -0.670  -3.368  1.00 29.50 ? 26  GLY D O   1 
ATOM   2786 N N   . SER D 1 13  ? 21.112  -0.097  -2.354  1.00 23.75 ? 27  SER D N   1 
ATOM   2787 C CA  . SER D 1 13  ? 20.493  -1.395  -2.571  1.00 20.56 ? 27  SER D CA  1 
ATOM   2788 C C   . SER D 1 13  ? 19.519  -1.318  -3.737  1.00 19.08 ? 27  SER D C   1 
ATOM   2789 O O   . SER D 1 13  ? 18.967  -0.258  -4.041  1.00 21.51 ? 27  SER D O   1 
ATOM   2790 C CB  . SER D 1 13  ? 19.752  -1.880  -1.324  1.00 22.82 ? 27  SER D CB  1 
ATOM   2791 O OG  . SER D 1 13  ? 20.662  -2.216  -0.295  0.85 24.46 ? 27  SER D OG  1 
ATOM   2792 N N   . THR D 1 14  ? 19.308  -2.461  -4.385  1.00 18.08 ? 28  THR D N   1 
ATOM   2793 C CA  . THR D 1 14  ? 18.490  -2.530  -5.584  1.00 20.12 ? 28  THR D CA  1 
ATOM   2794 C C   . THR D 1 14  ? 17.545  -3.707  -5.450  1.00 18.50 ? 28  THR D C   1 
ATOM   2795 O O   . THR D 1 14  ? 17.924  -4.761  -4.936  1.00 21.85 ? 28  THR D O   1 
ATOM   2796 C CB  . THR D 1 14  ? 19.373  -2.764  -6.819  1.00 23.17 ? 28  THR D CB  1 
ATOM   2797 O OG1 . THR D 1 14  ? 20.316  -1.698  -6.941  1.00 26.89 ? 28  THR D OG1 1 
ATOM   2798 C CG2 . THR D 1 14  ? 18.531  -2.818  -8.083  1.00 24.57 ? 28  THR D CG2 1 
ATOM   2799 N N   . PHE D 1 15  ? 16.316  -3.540  -5.901  1.00 17.59 ? 29  PHE D N   1 
ATOM   2800 C CA  . PHE D 1 15  ? 15.504  -4.730  -6.056  1.00 20.22 ? 29  PHE D CA  1 
ATOM   2801 C C   . PHE D 1 15  ? 14.735  -4.698  -7.356  1.00 20.71 ? 29  PHE D C   1 
ATOM   2802 O O   . PHE D 1 15  ? 14.306  -3.635  -7.813  1.00 22.51 ? 29  PHE D O   1 
ATOM   2803 C CB  . PHE D 1 15  ? 14.612  -5.038  -4.852  1.00 21.81 ? 29  PHE D CB  1 
ATOM   2804 C CG  . PHE D 1 15  ? 13.398  -4.167  -4.725  1.00 24.43 ? 29  PHE D CG  1 
ATOM   2805 C CD1 . PHE D 1 15  ? 12.219  -4.498  -5.369  1.00 24.12 ? 29  PHE D CD1 1 
ATOM   2806 C CD2 . PHE D 1 15  ? 13.411  -3.067  -3.897  1.00 26.29 ? 29  PHE D CD2 1 
ATOM   2807 C CE1 . PHE D 1 15  ? 11.096  -3.723  -5.226  1.00 24.33 ? 29  PHE D CE1 1 
ATOM   2808 C CE2 . PHE D 1 15  ? 12.282  -2.287  -3.744  1.00 24.80 ? 29  PHE D CE2 1 
ATOM   2809 C CZ  . PHE D 1 15  ? 11.123  -2.617  -4.407  1.00 23.38 ? 29  PHE D CZ  1 
ATOM   2810 N N   . ILE D 1 16  ? 14.598  -5.873  -7.959  1.00 20.95 ? 30  ILE D N   1 
ATOM   2811 C CA  . ILE D 1 16  ? 13.797  -6.050  -9.159  1.00 21.34 ? 30  ILE D CA  1 
ATOM   2812 C C   . ILE D 1 16  ? 12.611  -6.904  -8.760  1.00 19.79 ? 30  ILE D C   1 
ATOM   2813 O O   . ILE D 1 16  ? 12.774  -7.953  -8.126  1.00 20.90 ? 30  ILE D O   1 
ATOM   2814 C CB  . ILE D 1 16  ? 14.596  -6.680  -10.317 1.00 26.90 ? 30  ILE D CB  1 
ATOM   2815 C CG1 . ILE D 1 16  ? 13.668  -7.040  -11.485 1.00 29.87 ? 30  ILE D CG1 1 
ATOM   2816 C CG2 . ILE D 1 16  ? 15.338  -7.898  -9.848  1.00 30.75 ? 30  ILE D CG2 1 
ATOM   2817 C CD1 . ILE D 1 16  ? 13.693  -6.049  -12.642 1.00 33.21 ? 30  ILE D CD1 1 
ATOM   2818 N N   . VAL D 1 17  ? 11.424  -6.440  -9.097  1.00 18.37 ? 31  VAL D N   1 
ATOM   2819 C CA  . VAL D 1 17  ? 10.198  -7.072  -8.645  1.00 17.14 ? 31  VAL D CA  1 
ATOM   2820 C C   . VAL D 1 17  ? 9.250   -7.196  -9.826  1.00 17.84 ? 31  VAL D C   1 
ATOM   2821 O O   . VAL D 1 17  ? 9.254   -6.371  -10.747 1.00 19.18 ? 31  VAL D O   1 
ATOM   2822 C CB  . VAL D 1 17  ? 9.567   -6.266  -7.484  1.00 17.40 ? 31  VAL D CB  1 
ATOM   2823 C CG1 . VAL D 1 17  ? 9.054   -4.906  -7.976  1.00 16.85 ? 31  VAL D CG1 1 
ATOM   2824 C CG2 . VAL D 1 17  ? 8.484   -7.083  -6.763  1.00 17.03 ? 31  VAL D CG2 1 
ATOM   2825 N N   . THR D 1 18  ? 8.462   -8.265  -9.816  1.00 18.86 ? 32  THR D N   1 
ATOM   2826 C CA  . THR D 1 18  ? 7.319   -8.408  -10.699 1.00 18.64 ? 32  THR D CA  1 
ATOM   2827 C C   . THR D 1 18  ? 6.072   -8.391  -9.830  1.00 17.35 ? 32  THR D C   1 
ATOM   2828 O O   . THR D 1 18  ? 5.994   -9.125  -8.837  1.00 17.10 ? 32  THR D O   1 
ATOM   2829 C CB  . THR D 1 18  ? 7.408   -9.714  -11.496 1.00 21.02 ? 32  THR D CB  1 
ATOM   2830 O OG1 . THR D 1 18  ? 8.542   -9.660  -12.378 1.00 24.23 ? 32  THR D OG1 1 
ATOM   2831 C CG2 . THR D 1 18  ? 6.137   -9.941  -12.333 1.00 22.31 ? 32  THR D CG2 1 
ATOM   2832 N N   . ALA D 1 19  ? 5.128   -7.517  -10.173 1.00 17.63 ? 33  ALA D N   1 
ATOM   2833 C CA  . ALA D 1 19  ? 3.837   -7.444  -9.500  1.00 17.67 ? 33  ALA D CA  1 
ATOM   2834 C C   . ALA D 1 19  ? 2.840   -8.246  -10.326 1.00 19.05 ? 33  ALA D C   1 
ATOM   2835 O O   . ALA D 1 19  ? 2.426   -7.812  -11.408 1.00 20.17 ? 33  ALA D O   1 
ATOM   2836 C CB  . ALA D 1 19  ? 3.388   -5.993  -9.340  1.00 19.56 ? 33  ALA D CB  1 
ATOM   2837 N N   . GLY D 1 20  ? 2.470   -9.422  -9.822  1.00 18.07 ? 34  GLY D N   1 
ATOM   2838 C CA  . GLY D 1 20  ? 1.568   -10.287 -10.554 1.00 18.73 ? 34  GLY D CA  1 
ATOM   2839 C C   . GLY D 1 20  ? 0.131   -9.809  -10.498 1.00 19.85 ? 34  GLY D C   1 
ATOM   2840 O O   . GLY D 1 20  ? -0.269  -9.037  -9.624  1.00 20.77 ? 34  GLY D O   1 
ATOM   2841 N N   . ALA D 1 21  ? -0.668  -10.307 -11.447 1.00 22.37 ? 35  ALA D N   1 
ATOM   2842 C CA  . ALA D 1 21  ? -2.053  -9.858  -11.559 1.00 24.50 ? 35  ALA D CA  1 
ATOM   2843 C C   . ALA D 1 21  ? -2.861  -10.225 -10.325 1.00 26.32 ? 35  ALA D C   1 
ATOM   2844 O O   . ALA D 1 21  ? -3.859  -9.562  -10.017 1.00 29.54 ? 35  ALA D O   1 
ATOM   2845 C CB  . ALA D 1 21  ? -2.703  -10.444 -12.813 1.00 25.30 ? 35  ALA D CB  1 
ATOM   2846 N N   . ASP D 1 22  ? -2.432  -11.259 -9.604  1.00 25.62 ? 36  ASP D N   1 
ATOM   2847 C CA  . ASP D 1 22  ? -3.129  -11.794 -8.442  1.00 28.33 ? 36  ASP D CA  1 
ATOM   2848 C C   . ASP D 1 22  ? -2.746  -11.111 -7.134  1.00 25.27 ? 36  ASP D C   1 
ATOM   2849 O O   . ASP D 1 22  ? -3.320  -11.448 -6.093  1.00 27.11 ? 36  ASP D O   1 
ATOM   2850 C CB  . ASP D 1 22  ? -2.849  -13.299 -8.326  1.00 33.20 ? 36  ASP D CB  1 
ATOM   2851 C CG  . ASP D 1 22  ? -1.358  -13.612 -8.190  1.00 35.65 ? 36  ASP D CG  1 
ATOM   2852 O OD1 . ASP D 1 22  ? -0.524  -12.752 -8.563  1.00 32.82 ? 36  ASP D OD1 1 
ATOM   2853 O OD2 . ASP D 1 22  ? -1.022  -14.722 -7.711  1.00 37.94 ? 36  ASP D OD2 1 
ATOM   2854 N N   . GLY D 1 23  ? -1.803  -10.172 -7.150  1.00 20.87 ? 37  GLY D N   1 
ATOM   2855 C CA  . GLY D 1 23  ? -1.320  -9.563  -5.927  1.00 17.74 ? 37  GLY D CA  1 
ATOM   2856 C C   . GLY D 1 23  ? 0.041   -10.042 -5.467  1.00 15.72 ? 37  GLY D C   1 
ATOM   2857 O O   . GLY D 1 23  ? 0.500   -9.622  -4.402  1.00 17.36 ? 37  GLY D O   1 
ATOM   2858 N N   . ALA D 1 24  ? 0.714   -10.886 -6.239  1.00 17.17 ? 38  ALA D N   1 
ATOM   2859 C CA  . ALA D 1 24  ? 2.002   -11.420 -5.825  1.00 16.70 ? 38  ALA D CA  1 
ATOM   2860 C C   . ALA D 1 24  ? 3.124   -10.432 -6.116  1.00 15.31 ? 38  ALA D C   1 
ATOM   2861 O O   . ALA D 1 24  ? 3.136   -9.767  -7.155  1.00 16.31 ? 38  ALA D O   1 
ATOM   2862 C CB  . ALA D 1 24  ? 2.290   -12.727 -6.571  1.00 16.34 ? 38  ALA D CB  1 
ATOM   2863 N N   . LEU D 1 25  ? 4.074   -10.341 -5.190  1.00 13.44 ? 39  LEU D N   1 
ATOM   2864 C CA  . LEU D 1 25  ? 5.366   -9.727  -5.457  1.00 13.81 ? 39  LEU D CA  1 
ATOM   2865 C C   . LEU D 1 25  ? 6.420   -10.823 -5.433  1.00 13.93 ? 39  LEU D C   1 
ATOM   2866 O O   . LEU D 1 25  ? 6.493   -11.594 -4.473  1.00 15.13 ? 39  LEU D O   1 
ATOM   2867 C CB  . LEU D 1 25  ? 5.702   -8.663  -4.407  1.00 13.63 ? 39  LEU D CB  1 
ATOM   2868 C CG  . LEU D 1 25  ? 4.781   -7.440  -4.337  1.00 13.82 ? 39  LEU D CG  1 
ATOM   2869 C CD1 . LEU D 1 25  ? 5.221   -6.499  -3.207  1.00 14.48 ? 39  LEU D CD1 1 
ATOM   2870 C CD2 . LEU D 1 25  ? 4.687   -6.706  -5.688  1.00 14.94 ? 39  LEU D CD2 1 
ATOM   2871 N N   . THR D 1 26  ? 7.226   -10.897 -6.492  1.00 15.23 ? 40  THR D N   1 
ATOM   2872 C CA  . THR D 1 26  ? 8.332   -11.839 -6.569  1.00 14.59 ? 40  THR D CA  1 
ATOM   2873 C C   . THR D 1 26  ? 9.525   -11.127 -7.183  1.00 15.12 ? 40  THR D C   1 
ATOM   2874 O O   . THR D 1 26  ? 9.363   -10.252 -8.031  1.00 19.65 ? 40  THR D O   1 
ATOM   2875 C CB  . THR D 1 26  ? 7.978   -13.032 -7.469  1.00 17.44 ? 40  THR D CB  1 
ATOM   2876 O OG1 . THR D 1 26  ? 7.616   -12.559 -8.773  1.00 20.98 ? 40  THR D OG1 1 
ATOM   2877 C CG2 . THR D 1 26  ? 6.814   -13.816 -6.896  1.00 16.93 ? 40  THR D CG2 1 
ATOM   2878 N N   . GLY D 1 27  ? 10.725  -11.514 -6.765  1.00 15.82 ? 41  GLY D N   1 
ATOM   2879 C CA  . GLY D 1 27  ? 11.903  -10.919 -7.377  1.00 16.83 ? 41  GLY D CA  1 
ATOM   2880 C C   . GLY D 1 27  ? 13.161  -11.195 -6.589  1.00 15.34 ? 41  GLY D C   1 
ATOM   2881 O O   . GLY D 1 27  ? 13.277  -12.218 -5.910  1.00 16.28 ? 41  GLY D O   1 
ATOM   2882 N N   A THR D 1 28  ? 14.116  -10.285 -6.726  0.34 15.84 ? 42  THR D N   1 
ATOM   2883 N N   B THR D 1 28  ? 14.090  -10.240 -6.670  0.66 14.16 ? 42  THR D N   1 
ATOM   2884 C CA  A THR D 1 28  ? 15.383  -10.417 -6.032  0.34 17.06 ? 42  THR D CA  1 
ATOM   2885 C CA  B THR D 1 28  ? 15.437  -10.385 -6.136  0.66 15.08 ? 42  THR D CA  1 
ATOM   2886 C C   A THR D 1 28  ? 15.755  -9.074  -5.433  0.34 17.06 ? 42  THR D C   1 
ATOM   2887 C C   B THR D 1 28  ? 15.850  -9.065  -5.502  0.66 15.94 ? 42  THR D C   1 
ATOM   2888 O O   A THR D 1 28  ? 15.389  -8.017  -5.953  0.34 19.28 ? 42  THR D O   1 
ATOM   2889 O O   B THR D 1 28  ? 15.606  -7.998  -6.075  0.66 17.49 ? 42  THR D O   1 
ATOM   2890 C CB  A THR D 1 28  ? 16.514  -10.888 -6.958  0.34 19.02 ? 42  THR D CB  1 
ATOM   2891 C CB  B THR D 1 28  ? 16.420  -10.727 -7.277  0.66 15.76 ? 42  THR D CB  1 
ATOM   2892 O OG1 A THR D 1 28  ? 16.675  -9.952  -8.026  0.34 19.50 ? 42  THR D OG1 1 
ATOM   2893 O OG1 B THR D 1 28  ? 16.015  -11.944 -7.923  0.66 19.28 ? 42  THR D OG1 1 
ATOM   2894 C CG2 A THR D 1 28  ? 16.220  -12.272 -7.530  0.34 20.09 ? 42  THR D CG2 1 
ATOM   2895 C CG2 B THR D 1 28  ? 17.855  -10.888 -6.754  0.66 15.75 ? 42  THR D CG2 1 
ATOM   2896 N N   . TYR D 1 29  ? 16.485  -9.137  -4.329  1.00 15.48 ? 43  TYR D N   1 
ATOM   2897 C CA  . TYR D 1 29  ? 17.000  -7.964  -3.636  1.00 15.17 ? 43  TYR D CA  1 
ATOM   2898 C C   . TYR D 1 29  ? 18.519  -8.071  -3.603  1.00 17.17 ? 43  TYR D C   1 
ATOM   2899 O O   . TYR D 1 29  ? 19.058  -9.140  -3.306  1.00 17.05 ? 43  TYR D O   1 
ATOM   2900 C CB  . TYR D 1 29  ? 16.448  -7.908  -2.204  1.00 15.98 ? 43  TYR D CB  1 
ATOM   2901 C CG  . TYR D 1 29  ? 16.511  -6.535  -1.564  1.00 16.83 ? 43  TYR D CG  1 
ATOM   2902 C CD1 . TYR D 1 29  ? 17.650  -6.108  -0.892  1.00 18.99 ? 43  TYR D CD1 1 
ATOM   2903 C CD2 . TYR D 1 29  ? 15.421  -5.670  -1.624  1.00 17.32 ? 43  TYR D CD2 1 
ATOM   2904 C CE1 . TYR D 1 29  ? 17.703  -4.851  -0.301  1.00 19.93 ? 43  TYR D CE1 1 
ATOM   2905 C CE2 . TYR D 1 29  ? 15.464  -4.419  -1.044  1.00 17.78 ? 43  TYR D CE2 1 
ATOM   2906 C CZ  . TYR D 1 29  ? 16.605  -4.011  -0.382  1.00 19.74 ? 43  TYR D CZ  1 
ATOM   2907 O OH  . TYR D 1 29  ? 16.647  -2.762  0.198   1.00 21.21 ? 43  TYR D OH  1 
ATOM   2908 N N   . GLU D 1 30  ? 19.218  -6.981  -3.926  1.00 18.62 ? 44  GLU D N   1 
ATOM   2909 C CA  . GLU D 1 30  ? 20.667  -7.060  -4.073  1.00 20.02 ? 44  GLU D CA  1 
ATOM   2910 C C   . GLU D 1 30  ? 21.319  -5.721  -3.741  1.00 23.18 ? 44  GLU D C   1 
ATOM   2911 O O   . GLU D 1 30  ? 20.661  -4.756  -3.340  1.00 22.56 ? 44  GLU D O   1 
ATOM   2912 C CB  . GLU D 1 30  ? 21.056  -7.541  -5.479  1.00 25.79 ? 44  GLU D CB  1 
ATOM   2913 C CG  . GLU D 1 30  ? 20.773  -6.536  -6.577  1.00 29.89 ? 44  GLU D CG  1 
ATOM   2914 C CD  . GLU D 1 30  ? 20.941  -7.118  -7.965  1.00 35.75 ? 44  GLU D CD  1 
ATOM   2915 O OE1 . GLU D 1 30  ? 20.817  -8.349  -8.112  1.00 39.40 ? 44  GLU D OE1 1 
ATOM   2916 O OE2 . GLU D 1 30  ? 21.198  -6.343  -8.910  1.00 38.85 ? 44  GLU D OE2 1 
ATOM   2917 N N   . SER D 1 31  ? 22.642  -5.678  -3.906  1.00 27.02 ? 45  SER D N   1 
ATOM   2918 C CA  . SER D 1 31  ? 23.418  -4.464  -3.707  1.00 30.83 ? 45  SER D CA  1 
ATOM   2919 C C   . SER D 1 31  ? 23.584  -3.731  -5.038  1.00 34.22 ? 45  SER D C   1 
ATOM   2920 O O   . SER D 1 31  ? 23.170  -4.209  -6.096  1.00 35.44 ? 45  SER D O   1 
ATOM   2921 C CB  . SER D 1 31  ? 24.772  -4.801  -3.090  1.00 33.33 ? 45  SER D CB  1 
ATOM   2922 O OG  . SER D 1 31  ? 25.613  -5.427  -4.043  1.00 35.69 ? 45  SER D OG  1 
ATOM   2923 N N   . ALA D 1 32  ? 24.216  -2.554  -4.987  1.00 37.33 ? 46  ALA D N   1 
ATOM   2924 C CA  . ALA D 1 32  ? 24.387  -1.751  -6.195  1.00 39.53 ? 46  ALA D CA  1 
ATOM   2925 C C   . ALA D 1 32  ? 25.279  -2.451  -7.213  1.00 42.19 ? 46  ALA D C   1 
ATOM   2926 O O   . ALA D 1 32  ? 25.012  -2.397  -8.419  1.00 43.76 ? 46  ALA D O   1 
ATOM   2927 C CB  . ALA D 1 32  ? 24.950  -0.374  -5.839  1.00 39.39 ? 46  ALA D CB  1 
ATOM   2928 N N   . VAL D 1 33  ? 26.343  -3.111  -6.751  1.00 42.73 ? 47  VAL D N   1 
ATOM   2929 C CA  . VAL D 1 33  ? 27.248  -3.780  -7.682  1.00 44.32 ? 47  VAL D CA  1 
ATOM   2930 C C   . VAL D 1 33  ? 26.603  -5.026  -8.276  1.00 44.36 ? 47  VAL D C   1 
ATOM   2931 O O   . VAL D 1 33  ? 26.892  -5.397  -9.421  1.00 44.33 ? 47  VAL D O   1 
ATOM   2932 C CB  . VAL D 1 33  ? 28.608  -4.071  -7.020  1.00 44.76 ? 47  VAL D CB  1 
ATOM   2933 C CG1 . VAL D 1 33  ? 29.375  -2.775  -6.805  1.00 45.85 ? 47  VAL D CG1 1 
ATOM   2934 C CG2 . VAL D 1 33  ? 28.413  -4.797  -5.702  1.00 44.19 ? 47  VAL D CG2 1 
ATOM   2935 N N   . GLY D 1 34  ? 25.735  -5.694  -7.519  1.00 44.50 ? 48  GLY D N   1 
ATOM   2936 C CA  . GLY D 1 34  ? 24.955  -6.787  -8.063  1.00 42.01 ? 48  GLY D CA  1 
ATOM   2937 C C   . GLY D 1 34  ? 25.662  -8.117  -8.169  1.00 37.41 ? 48  GLY D C   1 
ATOM   2938 O O   . GLY D 1 34  ? 25.214  -8.977  -8.935  1.00 39.25 ? 48  GLY D O   1 
ATOM   2939 N N   . ASN D 1 35  ? 26.746  -8.324  -7.424  1.00 31.24 ? 49  ASN D N   1 
ATOM   2940 C CA  . ASN D 1 35  ? 27.417  -9.616  -7.454  1.00 27.95 ? 49  ASN D CA  1 
ATOM   2941 C C   . ASN D 1 35  ? 26.518  -10.699 -6.862  1.00 27.56 ? 49  ASN D C   1 
ATOM   2942 O O   . ASN D 1 35  ? 25.627  -10.427 -6.052  1.00 26.79 ? 49  ASN D O   1 
ATOM   2943 C CB  . ASN D 1 35  ? 28.744  -9.549  -6.698  1.00 29.68 ? 49  ASN D CB  1 
ATOM   2944 C CG  . ASN D 1 35  ? 28.571  -9.110  -5.264  1.00 31.01 ? 49  ASN D CG  1 
ATOM   2945 O OD1 . ASN D 1 35  ? 28.157  -7.983  -4.995  1.00 31.71 ? 49  ASN D OD1 1 
ATOM   2946 N ND2 . ASN D 1 35  ? 28.887  -9.995  -4.333  1.00 31.30 ? 49  ASN D ND2 1 
ATOM   2947 N N   . ALA D 1 36  ? 26.768  -11.945 -7.282  1.00 26.64 ? 50  ALA D N   1 
ATOM   2948 C CA  . ALA D 1 36  ? 25.895  -13.057 -6.912  1.00 25.23 ? 50  ALA D CA  1 
ATOM   2949 C C   . ALA D 1 36  ? 25.798  -13.222 -5.402  1.00 22.51 ? 50  ALA D C   1 
ATOM   2950 O O   . ALA D 1 36  ? 24.734  -13.572 -4.876  1.00 22.91 ? 50  ALA D O   1 
ATOM   2951 C CB  . ALA D 1 36  ? 26.392  -14.352 -7.560  1.00 27.23 ? 50  ALA D CB  1 
ATOM   2952 N N   . GLU D 1 37  ? 26.895  -12.974 -4.684  1.00 21.91 ? 51  GLU D N   1 
ATOM   2953 C CA  . GLU D 1 37  ? 26.886  -13.136 -3.238  1.00 21.81 ? 51  GLU D CA  1 
ATOM   2954 C C   . GLU D 1 37  ? 25.986  -12.131 -2.532  1.00 21.54 ? 51  GLU D C   1 
ATOM   2955 O O   . GLU D 1 37  ? 25.680  -12.333 -1.352  1.00 23.04 ? 51  GLU D O   1 
ATOM   2956 C CB  . GLU D 1 37  ? 28.304  -13.018 -2.678  1.00 23.82 ? 51  GLU D CB  1 
ATOM   2957 C CG  . GLU D 1 37  ? 29.258  -14.101 -3.145  1.00 26.92 ? 51  GLU D CG  1 
ATOM   2958 C CD  . GLU D 1 37  ? 29.964  -13.747 -4.443  1.00 28.36 ? 51  GLU D CD  1 
ATOM   2959 O OE1 . GLU D 1 37  ? 29.565  -12.764 -5.105  1.00 29.25 ? 51  GLU D OE1 1 
ATOM   2960 O OE2 . GLU D 1 37  ? 30.931  -14.452 -4.790  1.00 29.28 ? 51  GLU D OE2 1 
ATOM   2961 N N   . SER D 1 38  ? 25.552  -11.070 -3.215  1.00 21.08 ? 52  SER D N   1 
ATOM   2962 C CA  . SER D 1 38  ? 24.714  -10.039 -2.614  1.00 20.72 ? 52  SER D CA  1 
ATOM   2963 C C   . SER D 1 38  ? 23.239  -10.167 -2.980  1.00 19.11 ? 52  SER D C   1 
ATOM   2964 O O   . SER D 1 38  ? 22.446  -9.310  -2.577  1.00 19.35 ? 52  SER D O   1 
ATOM   2965 C CB  . SER D 1 38  ? 25.205  -8.649  -3.028  1.00 25.29 ? 52  SER D CB  1 
ATOM   2966 O OG  . SER D 1 38  ? 24.723  -8.308  -4.325  1.00 29.16 ? 52  SER D OG  1 
ATOM   2967 N N   . ARG D 1 39  ? 22.852  -11.201 -3.724  1.00 19.04 ? 53  ARG D N   1 
ATOM   2968 C CA  . ARG D 1 39  ? 21.491  -11.336 -4.234  1.00 17.87 ? 53  ARG D CA  1 
ATOM   2969 C C   . ARG D 1 39  ? 20.698  -12.320 -3.387  1.00 16.27 ? 53  ARG D C   1 
ATOM   2970 O O   . ARG D 1 39  ? 21.193  -13.400 -3.048  1.00 17.00 ? 53  ARG D O   1 
ATOM   2971 C CB  . ARG D 1 39  ? 21.494  -11.844 -5.677  1.00 21.34 ? 53  ARG D CB  1 
ATOM   2972 C CG  . ARG D 1 39  ? 22.216  -10.964 -6.679  1.00 26.60 ? 53  ARG D CG  1 
ATOM   2973 C CD  . ARG D 1 39  ? 21.820  -11.347 -8.104  1.00 32.51 ? 53  ARG D CD  1 
ATOM   2974 N NE  . ARG D 1 39  ? 22.892  -11.112 -9.064  1.00 37.78 ? 53  ARG D NE  1 
ATOM   2975 C CZ  . ARG D 1 39  ? 23.595  -12.073 -9.650  1.00 41.97 ? 53  ARG D CZ  1 
ATOM   2976 N NH1 . ARG D 1 39  ? 23.352  -13.353 -9.412  1.00 42.56 ? 53  ARG D NH1 1 
ATOM   2977 N NH2 . ARG D 1 39  ? 24.561  -11.742 -10.505 1.00 44.16 ? 53  ARG D NH2 1 
ATOM   2978 N N   . TYR D 1 40  ? 19.450  -11.949 -3.075  1.00 15.16 ? 54  TYR D N   1 
ATOM   2979 C CA  . TYR D 1 40  ? 18.572  -12.747 -2.226  1.00 14.35 ? 54  TYR D CA  1 
ATOM   2980 C C   . TYR D 1 40  ? 17.159  -12.758 -2.796  1.00 15.13 ? 54  TYR D C   1 
ATOM   2981 O O   . TYR D 1 40  ? 16.715  -11.788 -3.417  1.00 15.11 ? 54  TYR D O   1 
ATOM   2982 C CB  . TYR D 1 40  ? 18.515  -12.171 -0.805  1.00 14.83 ? 54  TYR D CB  1 
ATOM   2983 C CG  . TYR D 1 40  ? 19.866  -12.103 -0.139  1.00 14.01 ? 54  TYR D CG  1 
ATOM   2984 C CD1 . TYR D 1 40  ? 20.727  -11.027 -0.369  1.00 14.57 ? 54  TYR D CD1 1 
ATOM   2985 C CD2 . TYR D 1 40  ? 20.285  -13.117 0.720   1.00 15.75 ? 54  TYR D CD2 1 
ATOM   2986 C CE1 . TYR D 1 40  ? 21.970  -10.968 0.238   1.00 16.22 ? 54  TYR D CE1 1 
ATOM   2987 C CE2 . TYR D 1 40  ? 21.525  -13.062 1.334   1.00 16.01 ? 54  TYR D CE2 1 
ATOM   2988 C CZ  . TYR D 1 40  ? 22.358  -11.982 1.093   1.00 17.85 ? 54  TYR D CZ  1 
ATOM   2989 O OH  . TYR D 1 40  ? 23.588  -11.928 1.698   1.00 20.38 ? 54  TYR D OH  1 
ATOM   2990 N N   . VAL D 1 41  ? 16.451  -13.867 -2.560  1.00 14.54 ? 55  VAL D N   1 
ATOM   2991 C CA  . VAL D 1 41  ? 15.059  -13.994 -2.987  1.00 15.32 ? 55  VAL D CA  1 
ATOM   2992 C C   . VAL D 1 41  ? 14.181  -13.052 -2.171  1.00 16.02 ? 55  VAL D C   1 
ATOM   2993 O O   . VAL D 1 41  ? 14.347  -12.920 -0.952  1.00 16.90 ? 55  VAL D O   1 
ATOM   2994 C CB  . VAL D 1 41  ? 14.595  -15.456 -2.823  1.00 15.85 ? 55  VAL D CB  1 
ATOM   2995 C CG1 . VAL D 1 41  ? 13.088  -15.600 -3.105  1.00 17.79 ? 55  VAL D CG1 1 
ATOM   2996 C CG2 . VAL D 1 41  ? 15.405  -16.388 -3.723  1.00 17.28 ? 55  VAL D CG2 1 
ATOM   2997 N N   . LEU D 1 42  ? 13.238  -12.385 -2.842  1.00 16.18 ? 56  LEU D N   1 
ATOM   2998 C CA  . LEU D 1 42  ? 12.227  -11.589 -2.158  1.00 18.71 ? 56  LEU D CA  1 
ATOM   2999 C C   . LEU D 1 42  ? 10.840  -12.049 -2.578  1.00 17.30 ? 56  LEU D C   1 
ATOM   3000 O O   . LEU D 1 42  ? 10.611  -12.390 -3.740  1.00 18.80 ? 56  LEU D O   1 
ATOM   3001 C CB  . LEU D 1 42  ? 12.383  -10.092 -2.447  1.00 25.01 ? 56  LEU D CB  1 
ATOM   3002 C CG  . LEU D 1 42  ? 11.814  -9.452  -3.716  1.00 25.31 ? 56  LEU D CG  1 
ATOM   3003 C CD1 . LEU D 1 42  ? 10.324  -9.048  -3.602  1.00 22.71 ? 56  LEU D CD1 1 
ATOM   3004 C CD2 . LEU D 1 42  ? 12.658  -8.252  -4.098  1.00 27.14 ? 56  LEU D CD2 1 
ATOM   3005 N N   A THR D 1 43  ? 9.919   -12.086 -1.621  0.34 16.39 ? 57  THR D N   1 
ATOM   3006 N N   B THR D 1 43  ? 9.907   -12.009 -1.627  0.66 17.23 ? 57  THR D N   1 
ATOM   3007 C CA  A THR D 1 43  ? 8.531   -12.381 -1.932  0.34 15.05 ? 57  THR D CA  1 
ATOM   3008 C CA  B THR D 1 43  ? 8.540   -12.446 -1.865  0.66 15.84 ? 57  THR D CA  1 
ATOM   3009 C C   A THR D 1 43  ? 7.631   -11.538 -1.046  0.34 14.03 ? 57  THR D C   1 
ATOM   3010 C C   B THR D 1 43  ? 7.598   -11.607 -1.010  0.66 14.60 ? 57  THR D C   1 
ATOM   3011 O O   A THR D 1 43  ? 7.979   -11.206 0.089   0.34 13.25 ? 57  THR D O   1 
ATOM   3012 O O   B THR D 1 43  ? 7.895   -11.347 0.157   0.66 14.17 ? 57  THR D O   1 
ATOM   3013 C CB  A THR D 1 43  ? 8.187   -13.873 -1.794  0.34 16.35 ? 57  THR D CB  1 
ATOM   3014 C CB  B THR D 1 43  ? 8.402   -13.932 -1.514  0.66 19.25 ? 57  THR D CB  1 
ATOM   3015 O OG1 A THR D 1 43  ? 6.868   -14.108 -2.301  0.34 18.49 ? 57  THR D OG1 1 
ATOM   3016 O OG1 B THR D 1 43  ? 9.435   -14.679 -2.177  0.66 18.26 ? 57  THR D OG1 1 
ATOM   3017 C CG2 A THR D 1 43  ? 8.239   -14.302 -0.350  0.34 13.88 ? 57  THR D CG2 1 
ATOM   3018 C CG2 B THR D 1 43  ? 7.067   -14.451 -1.963  0.66 21.64 ? 57  THR D CG2 1 
ATOM   3019 N N   . GLY D 1 44  ? 6.483   -11.177 -1.592  1.00 13.62 ? 58  GLY D N   1 
ATOM   3020 C CA  . GLY D 1 44  ? 5.514   -10.409 -0.837  1.00 13.46 ? 58  GLY D CA  1 
ATOM   3021 C C   . GLY D 1 44  ? 4.176   -10.311 -1.538  1.00 13.05 ? 58  GLY D C   1 
ATOM   3022 O O   . GLY D 1 44  ? 3.847   -11.122 -2.407  1.00 13.57 ? 58  GLY D O   1 
ATOM   3023 N N   . ARG D 1 45  ? 3.404   -9.298  -1.138  1.00 11.13 ? 59  ARG D N   1 
ATOM   3024 C CA  . ARG D 1 45  ? 2.039   -9.116  -1.605  1.00 12.96 ? 59  ARG D CA  1 
ATOM   3025 C C   . ARG D 1 45  ? 1.757   -7.624  -1.744  1.00 11.92 ? 59  ARG D C   1 
ATOM   3026 O O   . ARG D 1 45  ? 2.331   -6.801  -1.024  1.00 14.30 ? 59  ARG D O   1 
ATOM   3027 C CB  . ARG D 1 45  ? 1.021   -9.717  -0.609  1.00 13.03 ? 59  ARG D CB  1 
ATOM   3028 C CG  . ARG D 1 45  ? 1.150   -11.214 -0.331  1.00 14.03 ? 59  ARG D CG  1 
ATOM   3029 C CD  . ARG D 1 45  ? 0.693   -12.053 -1.511  1.00 14.83 ? 59  ARG D CD  1 
ATOM   3030 N NE  . ARG D 1 45  ? -0.730  -11.865 -1.775  1.00 14.69 ? 59  ARG D NE  1 
ATOM   3031 C CZ  . ARG D 1 45  ? -1.337  -12.280 -2.878  1.00 15.51 ? 59  ARG D CZ  1 
ATOM   3032 N NH1 . ARG D 1 45  ? -0.668  -12.903 -3.837  1.00 17.00 ? 59  ARG D NH1 1 
ATOM   3033 N NH2 . ARG D 1 45  ? -2.645  -12.059 -3.024  1.00 17.33 ? 59  ARG D NH2 1 
ATOM   3034 N N   . TYR D 1 46  ? 0.863   -7.275  -2.669  1.00 14.02 ? 60  TYR D N   1 
ATOM   3035 C CA  . TYR D 1 46  ? 0.413   -5.894  -2.815  1.00 13.45 ? 60  TYR D CA  1 
ATOM   3036 C C   . TYR D 1 46  ? -1.082  -5.890  -3.103  1.00 13.64 ? 60  TYR D C   1 
ATOM   3037 O O   . TYR D 1 46  ? -1.654  -6.903  -3.517  1.00 16.15 ? 60  TYR D O   1 
ATOM   3038 C CB  . TYR D 1 46  ? 1.186   -5.133  -3.916  1.00 15.27 ? 60  TYR D CB  1 
ATOM   3039 C CG  . TYR D 1 46  ? 0.777   -5.509  -5.329  1.00 14.88 ? 60  TYR D CG  1 
ATOM   3040 C CD1 . TYR D 1 46  ? 1.157   -6.727  -5.893  1.00 15.60 ? 60  TYR D CD1 1 
ATOM   3041 C CD2 . TYR D 1 46  ? 0.009   -4.648  -6.096  1.00 15.70 ? 60  TYR D CD2 1 
ATOM   3042 C CE1 . TYR D 1 46  ? 0.768   -7.077  -7.185  1.00 15.64 ? 60  TYR D CE1 1 
ATOM   3043 C CE2 . TYR D 1 46  ? -0.378  -4.989  -7.391  1.00 16.46 ? 60  TYR D CE2 1 
ATOM   3044 C CZ  . TYR D 1 46  ? -0.005  -6.204  -7.927  1.00 16.43 ? 60  TYR D CZ  1 
ATOM   3045 O OH  . TYR D 1 46  ? -0.398  -6.526  -9.220  1.00 18.70 ? 60  TYR D OH  1 
ATOM   3046 N N   . ASP D 1 47  ? -1.705  -4.727  -2.888  1.00 14.93 ? 61  ASP D N   1 
ATOM   3047 C CA  . ASP D 1 47  ? -3.123  -4.518  -3.189  1.00 14.06 ? 61  ASP D CA  1 
ATOM   3048 C C   . ASP D 1 47  ? -3.279  -4.348  -4.695  1.00 16.27 ? 61  ASP D C   1 
ATOM   3049 O O   . ASP D 1 47  ? -2.921  -3.302  -5.250  1.00 15.76 ? 61  ASP D O   1 
ATOM   3050 C CB  . ASP D 1 47  ? -3.615  -3.265  -2.463  1.00 15.35 ? 61  ASP D CB  1 
ATOM   3051 C CG  . ASP D 1 47  ? -5.085  -2.966  -2.717  1.00 16.94 ? 61  ASP D CG  1 
ATOM   3052 O OD1 . ASP D 1 47  ? -5.755  -3.729  -3.461  1.00 16.33 ? 61  ASP D OD1 1 
ATOM   3053 O OD2 . ASP D 1 47  ? -5.574  -1.960  -2.149  1.00 16.80 ? 61  ASP D OD2 1 
ATOM   3054 N N   . SER D 1 48  ? -3.839  -5.359  -5.355  1.00 16.29 ? 62  SER D N   1 
ATOM   3055 C CA  . SER D 1 48  ? -3.985  -5.346  -6.807  1.00 17.92 ? 62  SER D CA  1 
ATOM   3056 C C   . SER D 1 48  ? -5.213  -4.587  -7.293  1.00 19.31 ? 62  SER D C   1 
ATOM   3057 O O   . SER D 1 48  ? -5.429  -4.512  -8.506  1.00 21.30 ? 62  SER D O   1 
ATOM   3058 C CB  . SER D 1 48  ? -3.998  -6.776  -7.362  1.00 19.87 ? 62  SER D CB  1 
ATOM   3059 O OG  . SER D 1 48  ? -5.032  -7.556  -6.782  1.00 23.09 ? 62  SER D OG  1 
ATOM   3060 N N   . ALA D 1 49  ? -6.024  -4.029  -6.398  1.00 18.83 ? 63  ALA D N   1 
ATOM   3061 C CA  . ALA D 1 49  ? -7.156  -3.181  -6.783  1.00 19.23 ? 63  ALA D CA  1 
ATOM   3062 C C   . ALA D 1 49  ? -7.200  -1.975  -5.856  1.00 19.77 ? 63  ALA D C   1 
ATOM   3063 O O   . ALA D 1 49  ? -8.122  -1.825  -5.046  1.00 18.70 ? 63  ALA D O   1 
ATOM   3064 C CB  . ALA D 1 49  ? -8.472  -3.965  -6.748  1.00 20.81 ? 63  ALA D CB  1 
ATOM   3065 N N   . PRO D 1 50  ? -6.215  -1.086  -5.955  1.00 20.05 ? 64  PRO D N   1 
ATOM   3066 C CA  . PRO D 1 50  ? -6.134  0.043   -5.018  1.00 20.49 ? 64  PRO D CA  1 
ATOM   3067 C C   . PRO D 1 50  ? -7.275  1.030   -5.223  1.00 21.81 ? 64  PRO D C   1 
ATOM   3068 O O   . PRO D 1 50  ? -7.992  1.013   -6.227  1.00 21.87 ? 64  PRO D O   1 
ATOM   3069 C CB  . PRO D 1 50  ? -4.784  0.683   -5.363  1.00 19.51 ? 64  PRO D CB  1 
ATOM   3070 C CG  . PRO D 1 50  ? -4.572  0.323   -6.811  1.00 19.71 ? 64  PRO D CG  1 
ATOM   3071 C CD  . PRO D 1 50  ? -5.111  -1.069  -6.934  1.00 20.26 ? 64  PRO D CD  1 
ATOM   3072 N N   . ALA D 1 51  ? -7.433  1.907   -4.233  1.00 21.79 ? 65  ALA D N   1 
ATOM   3073 C CA  . ALA D 1 51  ? -8.414  2.978   -4.324  1.00 22.89 ? 65  ALA D CA  1 
ATOM   3074 C C   . ALA D 1 51  ? -8.079  3.903   -5.490  1.00 24.89 ? 65  ALA D C   1 
ATOM   3075 O O   . ALA D 1 51  ? -6.943  3.960   -5.966  1.00 25.56 ? 65  ALA D O   1 
ATOM   3076 C CB  . ALA D 1 51  ? -8.439  3.784   -3.025  1.00 22.06 ? 65  ALA D CB  1 
ATOM   3077 N N   . THR D 1 52  ? -9.095  4.634   -5.954  1.00 28.28 ? 66  THR D N   1 
ATOM   3078 C CA  . THR D 1 52  ? -8.959  5.549   -7.083  1.00 32.74 ? 66  THR D CA  1 
ATOM   3079 C C   . THR D 1 52  ? -9.082  7.012   -6.667  1.00 34.36 ? 66  THR D C   1 
ATOM   3080 O O   . THR D 1 52  ? -9.385  7.869   -7.506  1.00 36.77 ? 66  THR D O   1 
ATOM   3081 C CB  . THR D 1 52  ? -9.975  5.211   -8.178  1.00 33.98 ? 66  THR D CB  1 
ATOM   3082 O OG1 . THR D 1 52  ? -11.295 5.208   -7.620  1.00 35.98 ? 66  THR D OG1 1 
ATOM   3083 C CG2 . THR D 1 52  ? -9.685  3.842   -8.776  1.00 33.15 ? 66  THR D CG2 1 
ATOM   3084 N N   . ASP D 1 53  ? -8.847  7.315   -5.391  1.00 34.15 ? 67  ASP D N   1 
ATOM   3085 C CA  . ASP D 1 53  ? -9.016  8.651   -4.840  1.00 33.50 ? 67  ASP D CA  1 
ATOM   3086 C C   . ASP D 1 53  ? -7.695  9.390   -4.652  1.00 34.18 ? 67  ASP D C   1 
ATOM   3087 O O   . ASP D 1 53  ? -7.660  10.405  -3.948  1.00 36.93 ? 67  ASP D O   1 
ATOM   3088 C CB  . ASP D 1 53  ? -9.767  8.573   -3.509  1.00 32.39 ? 67  ASP D CB  1 
ATOM   3089 C CG  . ASP D 1 53  ? -9.063  7.688   -2.494  1.00 31.35 ? 67  ASP D CG  1 
ATOM   3090 O OD1 . ASP D 1 53  ? -7.951  7.203   -2.790  1.00 29.16 ? 67  ASP D OD1 1 
ATOM   3091 O OD2 . ASP D 1 53  ? -9.624  7.469   -1.400  1.00 32.89 ? 67  ASP D OD2 1 
ATOM   3092 N N   . GLY D 1 54  ? -6.612  8.908   -5.259  1.00 31.34 ? 68  GLY D N   1 
ATOM   3093 C CA  . GLY D 1 54  ? -5.304  9.493   -5.053  1.00 28.61 ? 68  GLY D CA  1 
ATOM   3094 C C   . GLY D 1 54  ? -4.481  8.855   -3.950  1.00 27.00 ? 68  GLY D C   1 
ATOM   3095 O O   . GLY D 1 54  ? -3.366  9.324   -3.681  1.00 28.75 ? 68  GLY D O   1 
ATOM   3096 N N   . SER D 1 55  ? -4.992  7.813   -3.301  1.00 24.06 ? 69  SER D N   1 
ATOM   3097 C CA  . SER D 1 55  ? -4.237  7.120   -2.268  1.00 22.23 ? 69  SER D CA  1 
ATOM   3098 C C   . SER D 1 55  ? -3.170  6.228   -2.895  1.00 19.50 ? 69  SER D C   1 
ATOM   3099 O O   . SER D 1 55  ? -3.269  5.816   -4.054  1.00 21.62 ? 69  SER D O   1 
ATOM   3100 C CB  . SER D 1 55  ? -5.163  6.237   -1.429  1.00 23.36 ? 69  SER D CB  1 
ATOM   3101 O OG  . SER D 1 55  ? -6.135  7.001   -0.748  1.00 24.09 ? 69  SER D OG  1 
ATOM   3102 N N   . GLY D 1 56  ? -2.145  5.924   -2.102  1.00 17.23 ? 70  GLY D N   1 
ATOM   3103 C CA  . GLY D 1 56  ? -1.113  4.995   -2.518  1.00 16.97 ? 70  GLY D CA  1 
ATOM   3104 C C   . GLY D 1 56  ? -1.601  3.556   -2.505  1.00 15.65 ? 70  GLY D C   1 
ATOM   3105 O O   . GLY D 1 56  ? -2.718  3.247   -2.082  1.00 16.02 ? 70  GLY D O   1 
ATOM   3106 N N   . THR D 1 57  ? -0.736  2.660   -2.982  1.00 14.69 ? 71  THR D N   1 
ATOM   3107 C CA  . THR D 1 57  ? -1.024  1.229   -3.068  1.00 14.61 ? 71  THR D CA  1 
ATOM   3108 C C   . THR D 1 57  ? -0.257  0.506   -1.965  1.00 13.92 ? 71  THR D C   1 
ATOM   3109 O O   . THR D 1 57  ? 0.976   0.496   -1.969  1.00 15.42 ? 71  THR D O   1 
ATOM   3110 C CB  . THR D 1 57  ? -0.596  0.686   -4.433  1.00 15.39 ? 71  THR D CB  1 
ATOM   3111 O OG1 . THR D 1 57  ? -1.324  1.363   -5.463  1.00 17.27 ? 71  THR D OG1 1 
ATOM   3112 C CG2 . THR D 1 57  ? -0.845  -0.811  -4.529  1.00 16.50 ? 71  THR D CG2 1 
ATOM   3113 N N   . ALA D 1 58  ? -0.982  -0.118  -1.040  1.00 13.26 ? 72  ALA D N   1 
ATOM   3114 C CA  . ALA D 1 58  ? -0.328  -0.802  0.070   1.00 12.88 ? 72  ALA D CA  1 
ATOM   3115 C C   . ALA D 1 58  ? 0.388   -2.065  -0.406  1.00 13.28 ? 72  ALA D C   1 
ATOM   3116 O O   . ALA D 1 58  ? -0.108  -2.787  -1.280  1.00 14.60 ? 72  ALA D O   1 
ATOM   3117 C CB  . ALA D 1 58  ? -1.362  -1.150  1.145   1.00 13.93 ? 72  ALA D CB  1 
ATOM   3118 N N   . LEU D 1 59  ? 1.542   -2.354  0.202   1.00 13.73 ? 73  LEU D N   1 
ATOM   3119 C CA  . LEU D 1 59  ? 2.327   -3.528  -0.173  1.00 13.79 ? 73  LEU D CA  1 
ATOM   3120 C C   . LEU D 1 59  ? 3.262   -3.909  0.965   1.00 13.36 ? 73  LEU D C   1 
ATOM   3121 O O   . LEU D 1 59  ? 3.464   -3.145  1.912   1.00 15.19 ? 73  LEU D O   1 
ATOM   3122 C CB  . LEU D 1 59  ? 3.124   -3.286  -1.466  1.00 16.35 ? 73  LEU D CB  1 
ATOM   3123 C CG  . LEU D 1 59  ? 4.045   -2.054  -1.588  1.00 20.29 ? 73  LEU D CG  1 
ATOM   3124 C CD1 . LEU D 1 59  ? 5.225   -2.019  -0.628  1.00 23.01 ? 73  LEU D CD1 1 
ATOM   3125 C CD2 . LEU D 1 59  ? 4.551   -1.980  -3.025  1.00 20.96 ? 73  LEU D CD2 1 
ATOM   3126 N N   . GLY D 1 60  ? 3.855   -5.095  0.841   1.00 12.76 ? 74  GLY D N   1 
ATOM   3127 C CA  . GLY D 1 60  ? 4.901   -5.539  1.743   1.00 12.15 ? 74  GLY D CA  1 
ATOM   3128 C C   . GLY D 1 60  ? 5.678   -6.687  1.133   1.00 10.72 ? 74  GLY D C   1 
ATOM   3129 O O   . GLY D 1 60  ? 5.177   -7.383  0.247   1.00 12.98 ? 74  GLY D O   1 
ATOM   3130 N N   . TRP D 1 61  ? 6.914   -6.861  1.600   1.00 11.80 ? 75  TRP D N   1 
ATOM   3131 C CA  . TRP D 1 61  ? 7.701   -8.008  1.153   1.00 11.89 ? 75  TRP D CA  1 
ATOM   3132 C C   . TRP D 1 61  ? 8.729   -8.383  2.209   1.00 11.72 ? 75  TRP D C   1 
ATOM   3133 O O   . TRP D 1 61  ? 9.009   -7.616  3.138   1.00 12.51 ? 75  TRP D O   1 
ATOM   3134 C CB  . TRP D 1 61  ? 8.358   -7.781  -0.226  1.00 11.87 ? 75  TRP D CB  1 
ATOM   3135 C CG  . TRP D 1 61  ? 9.466   -6.764  -0.237  1.00 12.12 ? 75  TRP D CG  1 
ATOM   3136 C CD1 . TRP D 1 61  ? 10.802  -7.005  -0.041  1.00 15.01 ? 75  TRP D CD1 1 
ATOM   3137 C CD2 . TRP D 1 61  ? 9.345   -5.352  -0.468  1.00 12.34 ? 75  TRP D CD2 1 
ATOM   3138 N NE1 . TRP D 1 61  ? 11.513  -5.828  -0.127  1.00 13.95 ? 75  TRP D NE1 1 
ATOM   3139 C CE2 . TRP D 1 61  ? 10.646  -4.801  -0.395  1.00 12.53 ? 75  TRP D CE2 1 
ATOM   3140 C CE3 . TRP D 1 61  ? 8.266   -4.498  -0.726  1.00 13.30 ? 75  TRP D CE3 1 
ATOM   3141 C CZ2 . TRP D 1 61  ? 10.891  -3.432  -0.559  1.00 14.52 ? 75  TRP D CZ2 1 
ATOM   3142 C CZ3 . TRP D 1 61  ? 8.515   -3.143  -0.900  1.00 16.02 ? 75  TRP D CZ3 1 
ATOM   3143 C CH2 . TRP D 1 61  ? 9.818   -2.625  -0.815  1.00 15.99 ? 75  TRP D CH2 1 
ATOM   3144 N N   . THR D 1 62  ? 9.280   -9.591  2.054   1.00 12.44 ? 76  THR D N   1 
ATOM   3145 C CA  . THR D 1 62  ? 10.267  -10.149 2.968   1.00 12.38 ? 76  THR D CA  1 
ATOM   3146 C C   . THR D 1 62  ? 11.494  -10.624 2.197   1.00 13.24 ? 76  THR D C   1 
ATOM   3147 O O   . THR D 1 62  ? 11.370  -11.185 1.109   1.00 13.69 ? 76  THR D O   1 
ATOM   3148 C CB  . THR D 1 62  ? 9.692   -11.368 3.705   1.00 11.48 ? 76  THR D CB  1 
ATOM   3149 O OG1 . THR D 1 62  ? 8.477   -11.007 4.374   1.00 12.75 ? 76  THR D OG1 1 
ATOM   3150 C CG2 . THR D 1 62  ? 10.676  -11.895 4.732   1.00 13.52 ? 76  THR D CG2 1 
ATOM   3151 N N   . VAL D 1 63  ? 12.671  -10.433 2.794   1.00 12.62 ? 77  VAL D N   1 
ATOM   3152 C CA  . VAL D 1 63  ? 13.916  -11.063 2.361   1.00 12.80 ? 77  VAL D CA  1 
ATOM   3153 C C   . VAL D 1 63  ? 14.515  -11.757 3.578   1.00 13.36 ? 77  VAL D C   1 
ATOM   3154 O O   . VAL D 1 63  ? 14.763  -11.111 4.600   1.00 16.43 ? 77  VAL D O   1 
ATOM   3155 C CB  . VAL D 1 63  ? 14.915  -10.031 1.806   1.00 14.42 ? 77  VAL D CB  1 
ATOM   3156 C CG1 . VAL D 1 63  ? 16.290  -10.673 1.580   1.00 17.28 ? 77  VAL D CG1 1 
ATOM   3157 C CG2 . VAL D 1 63  ? 14.389  -9.391  0.520   1.00 13.14 ? 77  VAL D CG2 1 
ATOM   3158 N N   . ALA D 1 64  ? 14.742  -13.066 3.477   1.00 14.52 ? 78  ALA D N   1 
ATOM   3159 C CA  . ALA D 1 64  ? 15.560  -13.773 4.455   1.00 14.16 ? 78  ALA D CA  1 
ATOM   3160 C C   . ALA D 1 64  ? 17.000  -13.749 3.956   1.00 15.12 ? 78  ALA D C   1 
ATOM   3161 O O   . ALA D 1 64  ? 17.264  -14.056 2.790   1.00 17.49 ? 78  ALA D O   1 
ATOM   3162 C CB  . ALA D 1 64  ? 15.075  -15.209 4.642   1.00 15.39 ? 78  ALA D CB  1 
ATOM   3163 N N   . TRP D 1 65  ? 17.924  -13.356 4.829   1.00 14.47 ? 79  TRP D N   1 
ATOM   3164 C CA  . TRP D 1 65  ? 19.293  -13.090 4.400   1.00 15.51 ? 79  TRP D CA  1 
ATOM   3165 C C   . TRP D 1 65  ? 20.130  -14.363 4.286   1.00 16.49 ? 79  TRP D C   1 
ATOM   3166 O O   . TRP D 1 65  ? 21.252  -14.441 4.800   1.00 17.17 ? 79  TRP D O   1 
ATOM   3167 C CB  . TRP D 1 65  ? 19.920  -12.007 5.287   1.00 15.24 ? 79  TRP D CB  1 
ATOM   3168 C CG  . TRP D 1 65  ? 19.115  -10.741 5.241   1.00 15.24 ? 79  TRP D CG  1 
ATOM   3169 C CD1 . TRP D 1 65  ? 18.282  -10.241 6.219   1.00 14.51 ? 79  TRP D CD1 1 
ATOM   3170 C CD2 . TRP D 1 65  ? 19.031  -9.829  4.142   1.00 15.63 ? 79  TRP D CD2 1 
ATOM   3171 N NE1 . TRP D 1 65  ? 17.700  -9.071  5.785   1.00 15.90 ? 79  TRP D NE1 1 
ATOM   3172 C CE2 . TRP D 1 65  ? 18.138  -8.801  4.514   1.00 14.72 ? 79  TRP D CE2 1 
ATOM   3173 C CE3 . TRP D 1 65  ? 19.624  -9.781  2.875   1.00 15.83 ? 79  TRP D CE3 1 
ATOM   3174 C CZ2 . TRP D 1 65  ? 17.833  -7.736  3.665   1.00 14.90 ? 79  TRP D CZ2 1 
ATOM   3175 C CZ3 . TRP D 1 65  ? 19.319  -8.726  2.039   1.00 16.30 ? 79  TRP D CZ3 1 
ATOM   3176 C CH2 . TRP D 1 65  ? 18.433  -7.721  2.434   1.00 15.16 ? 79  TRP D CH2 1 
ATOM   3177 N N   . LYS D 1 66  ? 19.592  -15.361 3.589   1.00 17.54 ? 80  LYS D N   1 
ATOM   3178 C CA  . LYS D 1 66  ? 20.326  -16.563 3.220   1.00 17.30 ? 80  LYS D CA  1 
ATOM   3179 C C   . LYS D 1 66  ? 20.321  -16.675 1.703   1.00 16.69 ? 80  LYS D C   1 
ATOM   3180 O O   . LYS D 1 66  ? 19.273  -16.514 1.073   1.00 16.85 ? 80  LYS D O   1 
ATOM   3181 C CB  . LYS D 1 66  ? 19.664  -17.812 3.815   1.00 18.51 ? 80  LYS D CB  1 
ATOM   3182 C CG  . LYS D 1 66  ? 20.245  -19.133 3.305   1.00 20.46 ? 80  LYS D CG  1 
ATOM   3183 C CD  . LYS D 1 66  ? 19.480  -20.336 3.846   1.00 24.20 ? 80  LYS D CD  1 
ATOM   3184 C CE  . LYS D 1 66  ? 20.048  -21.653 3.313   1.00 27.45 ? 80  LYS D CE  1 
ATOM   3185 N NZ  . LYS D 1 66  ? 19.733  -21.901 1.870   1.00 29.18 ? 80  LYS D NZ  1 
ATOM   3186 N N   . ASN D 1 67  ? 21.487  -16.943 1.116   1.00 15.98 ? 81  ASN D N   1 
ATOM   3187 C CA  . ASN D 1 67  ? 21.566  -17.338 -0.284  1.00 16.77 ? 81  ASN D CA  1 
ATOM   3188 C C   . ASN D 1 67  ? 22.528  -18.517 -0.373  1.00 17.67 ? 81  ASN D C   1 
ATOM   3189 O O   . ASN D 1 67  ? 22.913  -19.103 0.643   1.00 19.83 ? 81  ASN D O   1 
ATOM   3190 C CB  . ASN D 1 67  ? 21.880  -16.149 -1.208  1.00 16.45 ? 81  ASN D CB  1 
ATOM   3191 C CG  . ASN D 1 67  ? 23.230  -15.505 -0.915  1.00 15.81 ? 81  ASN D CG  1 
ATOM   3192 O OD1 . ASN D 1 67  ? 24.112  -16.117 -0.316  1.00 16.24 ? 81  ASN D OD1 1 
ATOM   3193 N ND2 . ASN D 1 67  ? 23.391  -14.249 -1.347  1.00 18.05 ? 81  ASN D ND2 1 
ATOM   3194 N N   . ASN D 1 68  ? 22.931  -18.868 -1.594  1.00 18.92 ? 82  ASN D N   1 
ATOM   3195 C CA  . ASN D 1 68  ? 23.826  -20.008 -1.755  1.00 19.82 ? 82  ASN D CA  1 
ATOM   3196 C C   . ASN D 1 68  ? 25.241  -19.733 -1.265  1.00 21.15 ? 82  ASN D C   1 
ATOM   3197 O O   . ASN D 1 68  ? 26.064  -20.654 -1.280  1.00 24.05 ? 82  ASN D O   1 
ATOM   3198 C CB  . ASN D 1 68  ? 23.885  -20.437 -3.222  1.00 23.01 ? 82  ASN D CB  1 
ATOM   3199 C CG  . ASN D 1 68  ? 22.540  -20.911 -3.748  1.00 31.61 ? 82  ASN D CG  1 
ATOM   3200 O OD1 . ASN D 1 68  ? 21.627  -21.215 -2.976  1.00 37.82 ? 82  ASN D OD1 1 
ATOM   3201 N ND2 . ASN D 1 68  ? 22.414  -20.981 -5.071  1.00 34.73 ? 82  ASN D ND2 1 
ATOM   3202 N N   . TYR D 1 69  ? 25.547  -18.506 -0.836  1.00 20.79 ? 83  TYR D N   1 
ATOM   3203 C CA  . TYR D 1 69  ? 26.907  -18.107 -0.504  1.00 20.41 ? 83  TYR D CA  1 
ATOM   3204 C C   . TYR D 1 69  ? 27.097  -17.685 0.940   1.00 18.84 ? 83  TYR D C   1 
ATOM   3205 O O   . TYR D 1 69  ? 28.230  -17.749 1.435   1.00 21.58 ? 83  TYR D O   1 
ATOM   3206 C CB  . TYR D 1 69  ? 27.366  -16.962 -1.426  1.00 21.78 ? 83  TYR D CB  1 
ATOM   3207 C CG  . TYR D 1 69  ? 27.091  -17.270 -2.880  1.00 20.96 ? 83  TYR D CG  1 
ATOM   3208 C CD1 . TYR D 1 69  ? 27.972  -18.050 -3.618  1.00 22.85 ? 83  TYR D CD1 1 
ATOM   3209 C CD2 . TYR D 1 69  ? 25.935  -16.815 -3.508  1.00 21.56 ? 83  TYR D CD2 1 
ATOM   3210 C CE1 . TYR D 1 69  ? 27.721  -18.355 -4.936  1.00 24.21 ? 83  TYR D CE1 1 
ATOM   3211 C CE2 . TYR D 1 69  ? 25.676  -17.118 -4.839  1.00 22.73 ? 83  TYR D CE2 1 
ATOM   3212 C CZ  . TYR D 1 69  ? 26.575  -17.887 -5.546  1.00 24.52 ? 83  TYR D CZ  1 
ATOM   3213 O OH  . TYR D 1 69  ? 26.341  -18.203 -6.870  1.00 27.63 ? 83  TYR D OH  1 
ATOM   3214 N N   . ARG D 1 70  ? 26.037  -17.271 1.631   1.00 19.92 ? 84  ARG D N   1 
ATOM   3215 C CA  . ARG D 1 70  ? 26.168  -16.761 2.988   1.00 20.20 ? 84  ARG D CA  1 
ATOM   3216 C C   . ARG D 1 70  ? 24.811  -16.844 3.675   1.00 18.03 ? 84  ARG D C   1 
ATOM   3217 O O   . ARG D 1 70  ? 23.774  -17.029 3.030   1.00 17.98 ? 84  ARG D O   1 
ATOM   3218 C CB  . ARG D 1 70  ? 26.690  -15.322 2.983   1.00 23.52 ? 84  ARG D CB  1 
ATOM   3219 C CG  . ARG D 1 70  ? 25.755  -14.352 2.298   1.00 25.64 ? 84  ARG D CG  1 
ATOM   3220 C CD  . ARG D 1 70  ? 26.491  -13.335 1.436   1.00 28.92 ? 84  ARG D CD  1 
ATOM   3221 N NE  . ARG D 1 70  ? 27.165  -12.299 2.210   1.00 28.30 ? 84  ARG D NE  1 
ATOM   3222 C CZ  . ARG D 1 70  ? 27.536  -11.120 1.723   1.00 29.77 ? 84  ARG D CZ  1 
ATOM   3223 N NH1 . ARG D 1 70  ? 27.286  -10.776 0.470   1.00 30.30 ? 84  ARG D NH1 1 
ATOM   3224 N NH2 . ARG D 1 70  ? 28.167  -10.261 2.515   1.00 31.87 ? 84  ARG D NH2 1 
ATOM   3225 N N   . ASN D 1 71  ? 24.829  -16.712 5.000   1.00 18.22 ? 85  ASN D N   1 
ATOM   3226 C CA  . ASN D 1 71  ? 23.593  -16.779 5.776   1.00 18.11 ? 85  ASN D CA  1 
ATOM   3227 C C   . ASN D 1 71  ? 23.786  -15.948 7.037   1.00 18.29 ? 85  ASN D C   1 
ATOM   3228 O O   . ASN D 1 71  ? 24.603  -16.308 7.892   1.00 20.79 ? 85  ASN D O   1 
ATOM   3229 C CB  . ASN D 1 71  ? 23.259  -18.230 6.119   1.00 17.65 ? 85  ASN D CB  1 
ATOM   3230 C CG  . ASN D 1 71  ? 21.866  -18.387 6.714   1.00 18.18 ? 85  ASN D CG  1 
ATOM   3231 O OD1 . ASN D 1 71  ? 21.227  -17.405 7.081   1.00 17.91 ? 85  ASN D OD1 1 
ATOM   3232 N ND2 . ASN D 1 71  ? 21.393  -19.628 6.812   1.00 17.90 ? 85  ASN D ND2 1 
ATOM   3233 N N   . ALA D 1 72  ? 23.043  -14.844 7.145   1.00 16.90 ? 86  ALA D N   1 
ATOM   3234 C CA  . ALA D 1 72  ? 23.093  -13.968 8.310   1.00 17.86 ? 86  ALA D CA  1 
ATOM   3235 C C   . ALA D 1 72  ? 22.105  -14.363 9.403   1.00 18.23 ? 86  ALA D C   1 
ATOM   3236 O O   . ALA D 1 72  ? 22.070  -13.710 10.454  1.00 19.34 ? 86  ALA D O   1 
ATOM   3237 C CB  . ALA D 1 72  ? 22.851  -12.509 7.898   1.00 19.29 ? 86  ALA D CB  1 
ATOM   3238 N N   . HIS D 1 73  ? 21.307  -15.404 9.186   1.00 18.61 ? 87  HIS D N   1 
ATOM   3239 C CA  . HIS D 1 73  ? 20.324  -15.870 10.165  1.00 19.47 ? 87  HIS D CA  1 
ATOM   3240 C C   . HIS D 1 73  ? 19.414  -14.727 10.614  1.00 17.76 ? 87  HIS D C   1 
ATOM   3241 O O   . HIS D 1 73  ? 19.274  -14.431 11.805  1.00 18.19 ? 87  HIS D O   1 
ATOM   3242 C CB  . HIS D 1 73  ? 20.985  -16.569 11.361  1.00 19.76 ? 87  HIS D CB  1 
ATOM   3243 C CG  . HIS D 1 73  ? 21.893  -17.699 10.984  1.00 18.88 ? 87  HIS D CG  1 
ATOM   3244 N ND1 . HIS D 1 73  ? 21.477  -18.768 10.216  1.00 19.94 ? 87  HIS D ND1 1 
ATOM   3245 C CD2 . HIS D 1 73  ? 23.194  -17.931 11.275  1.00 19.18 ? 87  HIS D CD2 1 
ATOM   3246 C CE1 . HIS D 1 73  ? 22.487  -19.601 10.043  1.00 20.37 ? 87  HIS D CE1 1 
ATOM   3247 N NE2 . HIS D 1 73  ? 23.541  -19.120 10.681  1.00 19.45 ? 87  HIS D NE2 1 
ATOM   3248 N N   . SER D 1 74  ? 18.805  -14.076 9.626   1.00 16.56 ? 88  SER D N   1 
ATOM   3249 C CA  . SER D 1 74  ? 17.952  -12.924 9.880   1.00 15.95 ? 88  SER D CA  1 
ATOM   3250 C C   . SER D 1 74  ? 17.052  -12.709 8.674   1.00 15.56 ? 88  SER D C   1 
ATOM   3251 O O   . SER D 1 74  ? 17.260  -13.293 7.610   1.00 16.48 ? 88  SER D O   1 
ATOM   3252 C CB  . SER D 1 74  ? 18.789  -11.676 10.148  1.00 18.42 ? 88  SER D CB  1 
ATOM   3253 O OG  . SER D 1 74  ? 19.578  -11.381 9.014   1.00 19.27 ? 88  SER D OG  1 
ATOM   3254 N N   . ALA D 1 75  ? 16.043  -11.857 8.857   1.00 15.44 ? 89  ALA D N   1 
ATOM   3255 C CA  . ALA D 1 75  ? 15.102  -11.550 7.787   1.00 15.79 ? 89  ALA D CA  1 
ATOM   3256 C C   . ALA D 1 75  ? 14.567  -10.141 7.977   1.00 14.37 ? 89  ALA D C   1 
ATOM   3257 O O   . ALA D 1 75  ? 14.317  -9.719  9.111   1.00 14.65 ? 89  ALA D O   1 
ATOM   3258 C CB  . ALA D 1 75  ? 13.939  -12.549 7.792   1.00 16.22 ? 89  ALA D CB  1 
ATOM   3259 N N   . THR D 1 76  ? 14.373  -9.425  6.865   1.00 14.14 ? 90  THR D N   1 
ATOM   3260 C CA  . THR D 1 76  ? 13.781  -8.092  6.876   1.00 11.91 ? 90  THR D CA  1 
ATOM   3261 C C   . THR D 1 76  ? 12.413  -8.121  6.208   1.00 11.69 ? 90  THR D C   1 
ATOM   3262 O O   . THR D 1 76  ? 12.247  -8.744  5.154   1.00 13.30 ? 90  THR D O   1 
ATOM   3263 C CB  . THR D 1 76  ? 14.668  -7.089  6.127   1.00 13.19 ? 90  THR D CB  1 
ATOM   3264 O OG1 . THR D 1 76  ? 15.956  -7.043  6.749   1.00 14.22 ? 90  THR D OG1 1 
ATOM   3265 C CG2 . THR D 1 76  ? 14.050  -5.688  6.146   1.00 13.77 ? 90  THR D CG2 1 
ATOM   3266 N N   . THR D 1 77  ? 11.443  -7.416  6.804   1.00 11.44 ? 91  THR D N   1 
ATOM   3267 C CA  . THR D 1 77  ? 10.158  -7.150  6.161   1.00 12.36 ? 91  THR D CA  1 
ATOM   3268 C C   . THR D 1 77  ? 10.011  -5.653  5.926   1.00 12.72 ? 91  THR D C   1 
ATOM   3269 O O   . THR D 1 77  ? 10.287  -4.849  6.820   1.00 14.90 ? 91  THR D O   1 
ATOM   3270 C CB  . THR D 1 77  ? 8.952   -7.648  6.981   1.00 11.91 ? 91  THR D CB  1 
ATOM   3271 O OG1 . THR D 1 77  ? 8.892   -6.971  8.247   1.00 13.06 ? 91  THR D OG1 1 
ATOM   3272 C CG2 . THR D 1 77  ? 9.010   -9.142  7.198   1.00 14.49 ? 91  THR D CG2 1 
ATOM   3273 N N   . TRP D 1 78  ? 9.583   -5.280  4.728   1.00 11.03 ? 92  TRP D N   1 
ATOM   3274 C CA  . TRP D 1 78  ? 9.289   -3.891  4.402   1.00 11.65 ? 92  TRP D CA  1 
ATOM   3275 C C   . TRP D 1 78  ? 7.788   -3.759  4.245   1.00 11.28 ? 92  TRP D C   1 
ATOM   3276 O O   . TRP D 1 78  ? 7.166   -4.562  3.538   1.00 12.33 ? 92  TRP D O   1 
ATOM   3277 C CB  . TRP D 1 78  ? 9.911   -3.498  3.066   1.00 10.40 ? 92  TRP D CB  1 
ATOM   3278 C CG  . TRP D 1 78  ? 11.409  -3.338  3.017   1.00 11.93 ? 92  TRP D CG  1 
ATOM   3279 C CD1 . TRP D 1 78  ? 12.111  -2.156  3.013   1.00 13.81 ? 92  TRP D CD1 1 
ATOM   3280 C CD2 . TRP D 1 78  ? 12.384  -4.381  2.859   1.00 12.78 ? 92  TRP D CD2 1 
ATOM   3281 N NE1 . TRP D 1 78  ? 13.459  -2.409  2.894   1.00 13.94 ? 92  TRP D NE1 1 
ATOM   3282 C CE2 . TRP D 1 78  ? 13.654  -3.764  2.802   1.00 12.45 ? 92  TRP D CE2 1 
ATOM   3283 C CE3 . TRP D 1 78  ? 12.310  -5.778  2.791   1.00 12.73 ? 92  TRP D CE3 1 
ATOM   3284 C CZ2 . TRP D 1 78  ? 14.843  -4.498  2.659   1.00 13.20 ? 92  TRP D CZ2 1 
ATOM   3285 C CZ3 . TRP D 1 78  ? 13.494  -6.510  2.645   1.00 14.49 ? 92  TRP D CZ3 1 
ATOM   3286 C CH2 . TRP D 1 78  ? 14.742  -5.864  2.581   1.00 13.68 ? 92  TRP D CH2 1 
ATOM   3287 N N   . SER D 1 79  ? 7.218   -2.731  4.877   1.00 12.07 ? 93  SER D N   1 
ATOM   3288 C CA  . SER D 1 79  ? 5.790   -2.451  4.831   1.00 11.55 ? 93  SER D CA  1 
ATOM   3289 C C   . SER D 1 79  ? 5.608   -1.014  4.364   1.00 11.64 ? 93  SER D C   1 
ATOM   3290 O O   . SER D 1 79  ? 6.216   -0.102  4.928   1.00 12.99 ? 93  SER D O   1 
ATOM   3291 C CB  . SER D 1 79  ? 5.190   -2.625  6.237   1.00 13.54 ? 93  SER D CB  1 
ATOM   3292 O OG  . SER D 1 79  ? 3.785   -2.372  6.229   1.00 15.05 ? 93  SER D OG  1 
ATOM   3293 N N   . GLY D 1 80  ? 4.809   -0.799  3.327   1.00 11.72 ? 94  GLY D N   1 
ATOM   3294 C CA  . GLY D 1 80  ? 4.701   0.560   2.837   1.00 13.02 ? 94  GLY D CA  1 
ATOM   3295 C C   . GLY D 1 80  ? 3.654   0.743   1.774   1.00 12.81 ? 94  GLY D C   1 
ATOM   3296 O O   . GLY D 1 80  ? 2.684   -0.010  1.691   1.00 13.69 ? 94  GLY D O   1 
ATOM   3297 N N   . GLN D 1 81  ? 3.858   1.783   0.969   1.00 13.50 ? 95  GLN D N   1 
ATOM   3298 C CA  . GLN D 1 81  ? 2.952   2.076   -0.128  1.00 15.30 ? 95  GLN D CA  1 
ATOM   3299 C C   . GLN D 1 81  ? 3.701   2.588   -1.350  1.00 15.18 ? 95  GLN D C   1 
ATOM   3300 O O   . GLN D 1 81  ? 4.718   3.286   -1.238  1.00 15.10 ? 95  GLN D O   1 
ATOM   3301 C CB  . GLN D 1 81  ? 1.798   3.001   0.275   1.00 18.23 ? 95  GLN D CB  1 
ATOM   3302 C CG  . GLN D 1 81  ? 2.167   4.311   0.917   1.00 19.14 ? 95  GLN D CG  1 
ATOM   3303 C CD  . GLN D 1 81  ? 0.935   5.078   1.386   1.00 16.80 ? 95  GLN D CD  1 
ATOM   3304 O OE1 . GLN D 1 81  ? -0.076  5.141   0.680   1.00 16.23 ? 95  GLN D OE1 1 
ATOM   3305 N NE2 . GLN D 1 81  ? 1.011   5.657   2.587   1.00 18.66 ? 95  GLN D NE2 1 
ATOM   3306 N N   . TYR D 1 82  ? 3.189   2.201   -2.512  1.00 14.11 ? 96  TYR D N   1 
ATOM   3307 C CA  . TYR D 1 82  ? 3.646   2.696   -3.800  1.00 14.61 ? 96  TYR D CA  1 
ATOM   3308 C C   . TYR D 1 82  ? 2.862   3.948   -4.175  1.00 15.11 ? 96  TYR D C   1 
ATOM   3309 O O   . TYR D 1 82  ? 1.632   3.984   -4.059  1.00 16.44 ? 96  TYR D O   1 
ATOM   3310 C CB  . TYR D 1 82  ? 3.444   1.611   -4.858  1.00 15.22 ? 96  TYR D CB  1 
ATOM   3311 C CG  . TYR D 1 82  ? 3.429   2.134   -6.275  1.00 15.90 ? 96  TYR D CG  1 
ATOM   3312 C CD1 . TYR D 1 82  ? 4.613   2.322   -6.983  1.00 18.76 ? 96  TYR D CD1 1 
ATOM   3313 C CD2 . TYR D 1 82  ? 2.229   2.453   -6.906  1.00 18.26 ? 96  TYR D CD2 1 
ATOM   3314 C CE1 . TYR D 1 82  ? 4.600   2.812   -8.288  1.00 19.60 ? 96  TYR D CE1 1 
ATOM   3315 C CE2 . TYR D 1 82  ? 2.206   2.939   -8.210  1.00 20.19 ? 96  TYR D CE2 1 
ATOM   3316 C CZ  . TYR D 1 82  ? 3.393   3.121   -8.895  1.00 20.67 ? 96  TYR D CZ  1 
ATOM   3317 O OH  . TYR D 1 82  ? 3.361   3.603   -10.193 1.00 24.39 ? 96  TYR D OH  1 
ATOM   3318 N N   . VAL D 1 83  ? 3.581   4.971   -4.631  1.00 17.39 ? 97  VAL D N   1 
ATOM   3319 C CA  . VAL D 1 83  ? 2.987   6.223   -5.086  1.00 21.21 ? 97  VAL D CA  1 
ATOM   3320 C C   . VAL D 1 83  ? 3.469   6.457   -6.512  1.00 22.89 ? 97  VAL D C   1 
ATOM   3321 O O   . VAL D 1 83  ? 4.676   6.554   -6.753  1.00 21.98 ? 97  VAL D O   1 
ATOM   3322 C CB  . VAL D 1 83  ? 3.380   7.390   -4.164  1.00 22.71 ? 97  VAL D CB  1 
ATOM   3323 C CG1 . VAL D 1 83  ? 2.799   8.707   -4.666  1.00 23.28 ? 97  VAL D CG1 1 
ATOM   3324 C CG2 . VAL D 1 83  ? 2.929   7.095   -2.727  1.00 22.02 ? 97  VAL D CG2 1 
ATOM   3325 N N   . GLY D 1 84  ? 2.536   6.514   -7.456  1.00 25.87 ? 98  GLY D N   1 
ATOM   3326 C CA  . GLY D 1 84  ? 2.873   6.572   -8.863  1.00 27.21 ? 98  GLY D CA  1 
ATOM   3327 C C   . GLY D 1 84  ? 3.216   7.972   -9.342  1.00 31.09 ? 98  GLY D C   1 
ATOM   3328 O O   . GLY D 1 84  ? 3.327   8.926   -8.572  1.00 34.26 ? 98  GLY D O   1 
ATOM   3329 N N   . GLY D 1 85  ? 3.389   8.080   -10.648 1.00 31.91 ? 99  GLY D N   1 
ATOM   3330 C CA  . GLY D 1 85  ? 3.652   9.352   -11.288 1.00 30.92 ? 99  GLY D CA  1 
ATOM   3331 C C   . GLY D 1 85  ? 5.049   9.421   -11.879 1.00 31.04 ? 99  GLY D C   1 
ATOM   3332 O O   . GLY D 1 85  ? 5.794   8.436   -11.933 1.00 30.19 ? 99  GLY D O   1 
ATOM   3333 N N   . ALA D 1 86  ? 5.398   10.628  -12.329 1.00 30.21 ? 100 ALA D N   1 
ATOM   3334 C CA  . ALA D 1 86  ? 6.694   10.838  -12.968 1.00 29.02 ? 100 ALA D CA  1 
ATOM   3335 C C   . ALA D 1 86  ? 7.838   10.701  -11.978 1.00 29.51 ? 100 ALA D C   1 
ATOM   3336 O O   . ALA D 1 86  ? 8.970   10.408  -12.382 1.00 31.34 ? 100 ALA D O   1 
ATOM   3337 C CB  . ALA D 1 86  ? 6.738   12.212  -13.634 1.00 28.93 ? 100 ALA D CB  1 
ATOM   3338 N N   . GLU D 1 87  ? 7.570   10.926  -10.691 1.00 29.18 ? 101 GLU D N   1 
ATOM   3339 C CA  . GLU D 1 87  ? 8.561   10.737  -9.643  1.00 30.11 ? 101 GLU D CA  1 
ATOM   3340 C C   . GLU D 1 87  ? 8.067   9.633   -8.718  1.00 26.24 ? 101 GLU D C   1 
ATOM   3341 O O   . GLU D 1 87  ? 7.864   9.860   -7.520  1.00 27.27 ? 101 GLU D O   1 
ATOM   3342 C CB  . GLU D 1 87  ? 8.759   12.034  -8.853  1.00 35.10 ? 101 GLU D CB  1 
ATOM   3343 C CG  . GLU D 1 87  ? 8.801   13.301  -9.701  1.00 40.77 ? 101 GLU D CG  1 
ATOM   3344 C CD  . GLU D 1 87  ? 9.943   13.306  -10.700 1.00 46.34 ? 101 GLU D CD  1 
ATOM   3345 O OE1 . GLU D 1 87  ? 11.011  12.734  -10.393 1.00 48.81 ? 101 GLU D OE1 1 
ATOM   3346 O OE2 . GLU D 1 87  ? 9.770   13.877  -11.797 1.00 48.17 ? 101 GLU D OE2 1 
ATOM   3347 N N   . ALA D 1 88  ? 7.857   8.440   -9.275  1.00 23.30 ? 102 ALA D N   1 
ATOM   3348 C CA  . ALA D 1 88  ? 7.257   7.345   -8.526  1.00 20.69 ? 102 ALA D CA  1 
ATOM   3349 C C   . ALA D 1 88  ? 8.136   6.938   -7.347  1.00 17.56 ? 102 ALA D C   1 
ATOM   3350 O O   . ALA D 1 88  ? 9.363   7.002   -7.409  1.00 18.77 ? 102 ALA D O   1 
ATOM   3351 C CB  . ALA D 1 88  ? 7.024   6.143   -9.446  1.00 22.19 ? 102 ALA D CB  1 
ATOM   3352 N N   . ARG D 1 89  ? 7.491   6.520   -6.258  1.00 16.63 ? 103 ARG D N   1 
ATOM   3353 C CA  . ARG D 1 89  ? 8.201   6.138   -5.047  1.00 17.24 ? 103 ARG D CA  1 
ATOM   3354 C C   . ARG D 1 89  ? 7.527   4.935   -4.406  1.00 16.44 ? 103 ARG D C   1 
ATOM   3355 O O   . ARG D 1 89  ? 6.318   4.732   -4.535  1.00 18.95 ? 103 ARG D O   1 
ATOM   3356 C CB  . ARG D 1 89  ? 8.143   7.245   -3.977  1.00 21.29 ? 103 ARG D CB  1 
ATOM   3357 C CG  . ARG D 1 89  ? 8.773   8.565   -4.344  1.00 24.82 ? 103 ARG D CG  1 
ATOM   3358 C CD  . ARG D 1 89  ? 10.276  8.522   -4.176  0.73 26.53 ? 103 ARG D CD  1 
ATOM   3359 N NE  . ARG D 1 89  ? 10.909  9.813   -4.428  1.00 30.55 ? 103 ARG D NE  1 
ATOM   3360 C CZ  . ARG D 1 89  ? 11.214  10.272  -5.634  0.42 31.95 ? 103 ARG D CZ  1 
ATOM   3361 N NH1 . ARG D 1 89  ? 10.922  9.586   -6.727  0.92 31.66 ? 103 ARG D NH1 1 
ATOM   3362 N NH2 . ARG D 1 89  ? 11.830  11.448  -5.746  1.00 33.89 ? 103 ARG D NH2 1 
ATOM   3363 N N   . ILE D 1 90  ? 8.320   4.151   -3.688  1.00 14.89 ? 104 ILE D N   1 
ATOM   3364 C CA  . ILE D 1 90  ? 7.798   3.212   -2.706  1.00 14.68 ? 104 ILE D CA  1 
ATOM   3365 C C   . ILE D 1 90  ? 8.359   3.651   -1.363  1.00 13.75 ? 104 ILE D C   1 
ATOM   3366 O O   . ILE D 1 90  ? 9.580   3.626   -1.157  1.00 15.43 ? 104 ILE D O   1 
ATOM   3367 C CB  . ILE D 1 90  ? 8.162   1.757   -3.028  1.00 14.73 ? 104 ILE D CB  1 
ATOM   3368 C CG1 . ILE D 1 90  ? 7.603   1.381   -4.404  1.00 15.91 ? 104 ILE D CG1 1 
ATOM   3369 C CG2 . ILE D 1 90  ? 7.608   0.822   -1.948  1.00 15.95 ? 104 ILE D CG2 1 
ATOM   3370 C CD1 . ILE D 1 90  ? 8.013   -0.001  -4.877  1.00 16.62 ? 104 ILE D CD1 1 
ATOM   3371 N N   . ASN D 1 91  ? 7.480   4.092   -0.463  1.00 14.38 ? 105 ASN D N   1 
ATOM   3372 C CA  . ASN D 1 91  ? 7.876   4.578   0.854   1.00 15.00 ? 105 ASN D CA  1 
ATOM   3373 C C   . ASN D 1 91  ? 7.599   3.489   1.880   1.00 14.12 ? 105 ASN D C   1 
ATOM   3374 O O   . ASN D 1 91  ? 6.455   3.044   2.015   1.00 14.69 ? 105 ASN D O   1 
ATOM   3375 C CB  . ASN D 1 91  ? 7.081   5.836   1.197   1.00 18.42 ? 105 ASN D CB  1 
ATOM   3376 C CG  . ASN D 1 91  ? 7.265   6.923   0.159   1.00 22.12 ? 105 ASN D CG  1 
ATOM   3377 O OD1 . ASN D 1 91  ? 8.380   7.155   -0.302  1.00 22.23 ? 105 ASN D OD1 1 
ATOM   3378 N ND2 . ASN D 1 91  ? 6.170   7.573   -0.236  1.00 24.03 ? 105 ASN D ND2 1 
ATOM   3379 N N   . THR D 1 92  ? 8.633   3.078   2.617   1.00 13.61 ? 106 THR D N   1 
ATOM   3380 C CA  . THR D 1 92  ? 8.508   1.916   3.484   1.00 13.13 ? 106 THR D CA  1 
ATOM   3381 C C   . THR D 1 92  ? 9.063   2.185   4.873   1.00 11.98 ? 106 THR D C   1 
ATOM   3382 O O   . THR D 1 92  ? 9.909   3.059   5.087   1.00 13.55 ? 106 THR D O   1 
ATOM   3383 C CB  . THR D 1 92  ? 9.258   0.686   2.942   1.00 13.11 ? 106 THR D CB  1 
ATOM   3384 O OG1 . THR D 1 92  ? 10.676  0.900   3.057   1.00 13.87 ? 106 THR D OG1 1 
ATOM   3385 C CG2 . THR D 1 92  ? 8.877   0.386   1.488   1.00 16.06 ? 106 THR D CG2 1 
ATOM   3386 N N   . GLN D 1 93  ? 8.592   1.368   5.808   1.00 11.17 ? 107 GLN D N   1 
ATOM   3387 C CA  . GLN D 1 93  ? 9.245   1.142   7.085   1.00 11.84 ? 107 GLN D CA  1 
ATOM   3388 C C   . GLN D 1 93  ? 9.551   -0.347  7.177   1.00 12.63 ? 107 GLN D C   1 
ATOM   3389 O O   . GLN D 1 93  ? 8.848   -1.171  6.582   1.00 14.62 ? 107 GLN D O   1 
ATOM   3390 C CB  . GLN D 1 93  ? 8.360   1.616   8.241   1.00 14.57 ? 107 GLN D CB  1 
ATOM   3391 C CG  . GLN D 1 93  ? 8.114   3.125   8.151   1.00 15.11 ? 107 GLN D CG  1 
ATOM   3392 C CD  . GLN D 1 93  ? 7.366   3.690   9.337   1.00 16.90 ? 107 GLN D CD  1 
ATOM   3393 O OE1 . GLN D 1 93  ? 7.965   4.027   10.361  1.00 18.54 ? 107 GLN D OE1 1 
ATOM   3394 N NE2 . GLN D 1 93  ? 6.047   3.806   9.205   1.00 17.24 ? 107 GLN D NE2 1 
ATOM   3395 N N   . TRP D 1 94  ? 10.627  -0.695  7.877   1.00 11.63 ? 108 TRP D N   1 
ATOM   3396 C CA  . TRP D 1 94  ? 11.086  -2.078  7.876   1.00 11.98 ? 108 TRP D CA  1 
ATOM   3397 C C   . TRP D 1 94  ? 11.425  -2.564  9.278   1.00 12.35 ? 108 TRP D C   1 
ATOM   3398 O O   . TRP D 1 94  ? 11.698  -1.779  10.191  1.00 11.33 ? 108 TRP D O   1 
ATOM   3399 C CB  . TRP D 1 94  ? 12.254  -2.320  6.898   1.00 12.39 ? 108 TRP D CB  1 
ATOM   3400 C CG  . TRP D 1 94  ? 13.450  -1.407  7.057   1.00 12.28 ? 108 TRP D CG  1 
ATOM   3401 C CD1 . TRP D 1 94  ? 13.780  -0.339  6.260   1.00 14.08 ? 108 TRP D CD1 1 
ATOM   3402 C CD2 . TRP D 1 94  ? 14.489  -1.509  8.041   1.00 12.15 ? 108 TRP D CD2 1 
ATOM   3403 N NE1 . TRP D 1 94  ? 14.955  0.228   6.696   1.00 13.85 ? 108 TRP D NE1 1 
ATOM   3404 C CE2 . TRP D 1 94  ? 15.412  -0.471  7.786   1.00 13.75 ? 108 TRP D CE2 1 
ATOM   3405 C CE3 . TRP D 1 94  ? 14.729  -2.378  9.112   1.00 11.64 ? 108 TRP D CE3 1 
ATOM   3406 C CZ2 . TRP D 1 94  ? 16.553  -0.271  8.573   1.00 13.49 ? 108 TRP D CZ2 1 
ATOM   3407 C CZ3 . TRP D 1 94  ? 15.863  -2.181  9.894   1.00 12.90 ? 108 TRP D CZ3 1 
ATOM   3408 C CH2 . TRP D 1 94  ? 16.759  -1.134  9.623   1.00 13.02 ? 108 TRP D CH2 1 
ATOM   3409 N N   . LEU D 1 95  ? 11.375  -3.894  9.423   1.00 12.85 ? 109 LEU D N   1 
ATOM   3410 C CA  . LEU D 1 95  ? 11.740  -4.613  10.639  1.00 13.06 ? 109 LEU D CA  1 
ATOM   3411 C C   . LEU D 1 95  ? 12.717  -5.716  10.268  1.00 13.32 ? 109 LEU D C   1 
ATOM   3412 O O   . LEU D 1 95  ? 12.447  -6.511  9.362   1.00 15.12 ? 109 LEU D O   1 
ATOM   3413 C CB  . LEU D 1 95  ? 10.512  -5.258  11.297  1.00 13.14 ? 109 LEU D CB  1 
ATOM   3414 C CG  . LEU D 1 95  ? 9.405   -4.331  11.810  1.00 13.93 ? 109 LEU D CG  1 
ATOM   3415 C CD1 . LEU D 1 95  ? 8.168   -5.133  12.189  1.00 14.82 ? 109 LEU D CD1 1 
ATOM   3416 C CD2 . LEU D 1 95  ? 9.886   -3.498  12.999  1.00 16.17 ? 109 LEU D CD2 1 
ATOM   3417 N N   . LEU D 1 96  ? 13.842  -5.779  10.971  1.00 13.34 ? 110 LEU D N   1 
ATOM   3418 C CA  . LEU D 1 96  ? 14.881  -6.755  10.674  1.00 12.92 ? 110 LEU D CA  1 
ATOM   3419 C C   . LEU D 1 96  ? 15.078  -7.591  11.929  1.00 12.46 ? 110 LEU D C   1 
ATOM   3420 O O   . LEU D 1 96  ? 15.625  -7.100  12.923  1.00 14.19 ? 110 LEU D O   1 
ATOM   3421 C CB  . LEU D 1 96  ? 16.170  -6.045  10.260  1.00 14.81 ? 110 LEU D CB  1 
ATOM   3422 C CG  . LEU D 1 96  ? 17.502  -6.800  10.273  1.00 16.52 ? 110 LEU D CG  1 
ATOM   3423 C CD1 . LEU D 1 96  ? 17.453  -8.167  9.582   1.00 16.84 ? 110 LEU D CD1 1 
ATOM   3424 C CD2 . LEU D 1 96  ? 18.586  -5.916  9.643   1.00 17.37 ? 110 LEU D CD2 1 
ATOM   3425 N N   . THR D 1 97  ? 14.615  -8.842  11.900  1.00 13.40 ? 111 THR D N   1 
ATOM   3426 C CA  . THR D 1 97  ? 14.700  -9.723  13.060  1.00 14.01 ? 111 THR D CA  1 
ATOM   3427 C C   . THR D 1 97  ? 15.789  -10.764 12.843  1.00 14.09 ? 111 THR D C   1 
ATOM   3428 O O   . THR D 1 97  ? 15.810  -11.440 11.808  1.00 15.04 ? 111 THR D O   1 
ATOM   3429 C CB  . THR D 1 97  ? 13.371  -10.437 13.338  1.00 15.76 ? 111 THR D CB  1 
ATOM   3430 O OG1 . THR D 1 97  ? 12.322  -9.478  13.492  1.00 15.72 ? 111 THR D OG1 1 
ATOM   3431 C CG2 . THR D 1 97  ? 13.470  -11.252 14.626  1.00 16.04 ? 111 THR D CG2 1 
ATOM   3432 N N   . SER D 1 98  ? 16.685  -10.888 13.817  1.00 14.68 ? 112 SER D N   1 
ATOM   3433 C CA  . SER D 1 98  ? 17.701  -11.929 13.819  1.00 15.91 ? 112 SER D CA  1 
ATOM   3434 C C   . SER D 1 98  ? 17.243  -13.107 14.673  1.00 16.83 ? 112 SER D C   1 
ATOM   3435 O O   . SER D 1 98  ? 16.531  -12.935 15.668  1.00 18.62 ? 112 SER D O   1 
ATOM   3436 C CB  . SER D 1 98  ? 19.019  -11.395 14.386  1.00 17.39 ? 112 SER D CB  1 
ATOM   3437 O OG  . SER D 1 98  ? 19.525  -10.329 13.604  1.00 21.27 ? 112 SER D OG  1 
ATOM   3438 N N   . GLY D 1 99  ? 17.654  -14.306 14.280  1.00 16.77 ? 113 GLY D N   1 
ATOM   3439 C CA  . GLY D 1 99  ? 17.499  -15.454 15.165  1.00 18.66 ? 113 GLY D CA  1 
ATOM   3440 C C   . GLY D 1 99  ? 18.413  -15.305 16.373  1.00 21.02 ? 113 GLY D C   1 
ATOM   3441 O O   . GLY D 1 99  ? 19.613  -15.043 16.230  1.00 23.60 ? 113 GLY D O   1 
ATOM   3442 N N   . THR D 1 100 ? 17.843  -15.437 17.573  1.00 19.83 ? 114 THR D N   1 
ATOM   3443 C CA  . THR D 1 100 ? 18.591  -15.253 18.813  1.00 21.04 ? 114 THR D CA  1 
ATOM   3444 C C   . THR D 1 100 ? 18.196  -16.329 19.818  1.00 22.32 ? 114 THR D C   1 
ATOM   3445 O O   . THR D 1 100 ? 17.205  -17.045 19.647  1.00 23.48 ? 114 THR D O   1 
ATOM   3446 C CB  . THR D 1 100 ? 18.305  -13.889 19.471  1.00 20.36 ? 114 THR D CB  1 
ATOM   3447 O OG1 . THR D 1 100 ? 16.964  -13.876 19.971  1.00 19.97 ? 114 THR D OG1 1 
ATOM   3448 C CG2 . THR D 1 100 ? 18.488  -12.722 18.501  1.00 20.10 ? 114 THR D CG2 1 
ATOM   3449 N N   . THR D 1 101 ? 18.976  -16.429 20.892  1.00 23.72 ? 115 THR D N   1 
ATOM   3450 C CA  . THR D 1 101 ? 18.509  -17.175 22.045  1.00 24.81 ? 115 THR D CA  1 
ATOM   3451 C C   . THR D 1 101 ? 17.440  -16.371 22.777  1.00 25.19 ? 115 THR D C   1 
ATOM   3452 O O   . THR D 1 101 ? 17.234  -15.178 22.528  1.00 25.00 ? 115 THR D O   1 
ATOM   3453 C CB  . THR D 1 101 ? 19.652  -17.444 23.021  1.00 27.03 ? 115 THR D CB  1 
ATOM   3454 O OG1 . THR D 1 101 ? 20.170  -16.194 23.496  1.00 28.57 ? 115 THR D OG1 1 
ATOM   3455 C CG2 . THR D 1 101 ? 20.755  -18.251 22.354  1.00 27.57 ? 115 THR D CG2 1 
ATOM   3456 N N   . GLU D 1 102 ? 16.761  -17.043 23.706  1.00 28.09 ? 116 GLU D N   1 
ATOM   3457 C CA  . GLU D 1 102 ? 15.729  -16.373 24.488  1.00 29.28 ? 116 GLU D CA  1 
ATOM   3458 C C   . GLU D 1 102 ? 16.302  -15.198 25.271  1.00 27.08 ? 116 GLU D C   1 
ATOM   3459 O O   . GLU D 1 102 ? 15.670  -14.140 25.366  1.00 25.58 ? 116 GLU D O   1 
ATOM   3460 C CB  . GLU D 1 102 ? 15.059  -17.375 25.426  1.00 35.15 ? 116 GLU D CB  1 
ATOM   3461 C CG  . GLU D 1 102 ? 13.548  -17.403 25.305  1.00 42.06 ? 116 GLU D CG  1 
ATOM   3462 C CD  . GLU D 1 102 ? 13.084  -17.714 23.894  1.00 47.63 ? 116 GLU D CD  1 
ATOM   3463 O OE1 . GLU D 1 102 ? 13.753  -18.519 23.208  1.00 50.66 ? 116 GLU D OE1 1 
ATOM   3464 O OE2 . GLU D 1 102 ? 12.052  -17.147 23.472  1.00 49.50 ? 116 GLU D OE2 1 
ATOM   3465 N N   . ALA D 1 103 ? 17.509  -15.357 25.820  1.00 27.88 ? 117 ALA D N   1 
ATOM   3466 C CA  . ALA D 1 103 ? 18.094  -14.311 26.653  1.00 26.84 ? 117 ALA D CA  1 
ATOM   3467 C C   . ALA D 1 103 ? 18.428  -13.061 25.851  1.00 25.72 ? 117 ALA D C   1 
ATOM   3468 O O   . ALA D 1 103 ? 18.502  -11.965 26.419  1.00 26.00 ? 117 ALA D O   1 
ATOM   3469 C CB  . ALA D 1 103 ? 19.339  -14.833 27.372  1.00 27.45 ? 117 ALA D CB  1 
ATOM   3470 N N   . ASN D 1 104 ? 18.636  -13.202 24.543  1.00 24.26 ? 118 ASN D N   1 
ATOM   3471 C CA  . ASN D 1 104 ? 18.955  -12.080 23.675  1.00 23.57 ? 118 ASN D CA  1 
ATOM   3472 C C   . ASN D 1 104 ? 17.780  -11.671 22.805  1.00 20.50 ? 118 ASN D C   1 
ATOM   3473 O O   . ASN D 1 104 ? 17.942  -10.821 21.927  1.00 20.99 ? 118 ASN D O   1 
ATOM   3474 C CB  . ASN D 1 104 ? 20.164  -12.413 22.804  1.00 24.69 ? 118 ASN D CB  1 
ATOM   3475 C CG  . ASN D 1 104 ? 21.418  -12.597 23.618  1.00 28.65 ? 118 ASN D CG  1 
ATOM   3476 O OD1 . ASN D 1 104 ? 21.735  -11.769 24.475  1.00 30.89 ? 118 ASN D OD1 1 
ATOM   3477 N ND2 . ASN D 1 104 ? 22.125  -13.697 23.385  1.00 31.43 ? 118 ASN D ND2 1 
ATOM   3478 N N   . ALA D 1 105 ? 16.599  -12.248 23.037  1.00 20.70 ? 119 ALA D N   1 
ATOM   3479 C CA  . ALA D 1 105 ? 15.464  -11.969 22.160  1.00 20.51 ? 119 ALA D CA  1 
ATOM   3480 C C   . ALA D 1 105 ? 14.989  -10.530 22.280  1.00 19.21 ? 119 ALA D C   1 
ATOM   3481 O O   . ALA D 1 105 ? 14.440  -9.983  21.318  1.00 19.47 ? 119 ALA D O   1 
ATOM   3482 C CB  . ALA D 1 105 ? 14.315  -12.936 22.442  1.00 20.63 ? 119 ALA D CB  1 
ATOM   3483 N N   . TRP D 1 106 ? 15.186  -9.906  23.446  1.00 20.51 ? 120 TRP D N   1 
ATOM   3484 C CA  . TRP D 1 106 ? 14.724  -8.536  23.642  1.00 20.68 ? 120 TRP D CA  1 
ATOM   3485 C C   . TRP D 1 106 ? 15.361  -7.575  22.641  1.00 23.77 ? 120 TRP D C   1 
ATOM   3486 O O   . TRP D 1 106 ? 14.751  -6.561  22.282  1.00 24.35 ? 120 TRP D O   1 
ATOM   3487 C CB  . TRP D 1 106 ? 15.000  -8.095  25.084  1.00 22.27 ? 120 TRP D CB  1 
ATOM   3488 C CG  . TRP D 1 106 ? 16.445  -7.848  25.366  1.00 23.17 ? 120 TRP D CG  1 
ATOM   3489 C CD1 . TRP D 1 106 ? 17.385  -8.770  25.739  1.00 24.50 ? 120 TRP D CD1 1 
ATOM   3490 C CD2 . TRP D 1 106 ? 17.122  -6.588  25.298  1.00 27.14 ? 120 TRP D CD2 1 
ATOM   3491 N NE1 . TRP D 1 106 ? 18.609  -8.156  25.906  1.00 26.80 ? 120 TRP D NE1 1 
ATOM   3492 C CE2 . TRP D 1 106 ? 18.472  -6.817  25.640  1.00 28.00 ? 120 TRP D CE2 1 
ATOM   3493 C CE3 . TRP D 1 106 ? 16.717  -5.286  24.975  1.00 28.62 ? 120 TRP D CE3 1 
ATOM   3494 C CZ2 . TRP D 1 106 ? 19.419  -5.794  25.672  1.00 28.03 ? 120 TRP D CZ2 1 
ATOM   3495 C CZ3 . TRP D 1 106 ? 17.659  -4.269  25.013  1.00 29.56 ? 120 TRP D CZ3 1 
ATOM   3496 C CH2 . TRP D 1 106 ? 18.995  -4.531  25.358  1.00 29.37 ? 120 TRP D CH2 1 
ATOM   3497 N N   . LYS D 1 107 ? 16.573  -7.882  22.169  1.00 22.11 ? 121 LYS D N   1 
ATOM   3498 C CA  . LYS D 1 107 ? 17.298  -7.041  21.219  1.00 21.60 ? 121 LYS D CA  1 
ATOM   3499 C C   . LYS D 1 107 ? 17.411  -7.688  19.837  1.00 18.94 ? 121 LYS D C   1 
ATOM   3500 O O   . LYS D 1 107 ? 18.382  -7.462  19.112  1.00 21.46 ? 121 LYS D O   1 
ATOM   3501 C CB  . LYS D 1 107 ? 18.674  -6.663  21.769  1.00 23.81 ? 121 LYS D CB  1 
ATOM   3502 C CG  . LYS D 1 107 ? 19.539  -7.851  22.178  1.00 25.93 ? 121 LYS D CG  1 
ATOM   3503 C CD  . LYS D 1 107 ? 20.896  -7.381  22.705  1.00 28.21 ? 121 LYS D CD  1 
ATOM   3504 C CE  . LYS D 1 107 ? 21.794  -8.558  23.066  1.00 30.13 ? 121 LYS D CE  1 
ATOM   3505 N NZ  . LYS D 1 107 ? 23.132  -8.138  23.601  1.00 34.79 ? 121 LYS D NZ  1 
ATOM   3506 N N   . SER D 1 108 ? 16.416  -8.486  19.458  1.00 16.79 ? 122 SER D N   1 
ATOM   3507 C CA  . SER D 1 108 ? 16.455  -9.211  18.193  1.00 16.26 ? 122 SER D CA  1 
ATOM   3508 C C   . SER D 1 108 ? 16.014  -8.394  16.981  1.00 14.99 ? 122 SER D C   1 
ATOM   3509 O O   . SER D 1 108 ? 16.262  -8.836  15.850  1.00 14.82 ? 122 SER D O   1 
ATOM   3510 C CB  . SER D 1 108 ? 15.538  -10.427 18.281  1.00 17.29 ? 122 SER D CB  1 
ATOM   3511 O OG  . SER D 1 108 ? 14.196  -10.008 18.466  1.00 18.83 ? 122 SER D OG  1 
ATOM   3512 N N   . THR D 1 109 ? 15.364  -7.240  17.161  1.00 13.57 ? 123 THR D N   1 
ATOM   3513 C CA  . THR D 1 109 ? 14.646  -6.596  16.061  1.00 12.68 ? 123 THR D CA  1 
ATOM   3514 C C   . THR D 1 109 ? 15.056  -5.138  15.892  1.00 12.89 ? 123 THR D C   1 
ATOM   3515 O O   . THR D 1 109 ? 14.867  -4.324  16.803  1.00 13.33 ? 123 THR D O   1 
ATOM   3516 C CB  . THR D 1 109 ? 13.130  -6.684  16.280  1.00 13.22 ? 123 THR D CB  1 
ATOM   3517 O OG1 . THR D 1 109 ? 12.769  -8.041  16.560  1.00 15.39 ? 123 THR D OG1 1 
ATOM   3518 C CG2 . THR D 1 109 ? 12.381  -6.196  15.032  1.00 14.21 ? 123 THR D CG2 1 
ATOM   3519 N N   . LEU D 1 110 ? 15.575  -4.808  14.714  1.00 13.81 ? 124 LEU D N   1 
ATOM   3520 C CA  . LEU D 1 110 ? 15.887  -3.441  14.330  1.00 12.24 ? 124 LEU D CA  1 
ATOM   3521 C C   . LEU D 1 110 ? 14.741  -2.872  13.503  1.00 14.67 ? 124 LEU D C   1 
ATOM   3522 O O   . LEU D 1 110 ? 14.037  -3.605  12.803  1.00 14.62 ? 124 LEU D O   1 
ATOM   3523 C CB  . LEU D 1 110 ? 17.162  -3.415  13.480  1.00 13.09 ? 124 LEU D CB  1 
ATOM   3524 C CG  . LEU D 1 110 ? 18.484  -3.791  14.154  1.00 13.84 ? 124 LEU D CG  1 
ATOM   3525 C CD1 . LEU D 1 110 ? 19.572  -4.110  13.120  1.00 16.36 ? 124 LEU D CD1 1 
ATOM   3526 C CD2 . LEU D 1 110 ? 18.932  -2.660  15.062  1.00 14.80 ? 124 LEU D CD2 1 
ATOM   3527 N N   . VAL D 1 111 ? 14.573  -1.550  13.569  1.00 13.09 ? 125 VAL D N   1 
ATOM   3528 C CA  . VAL D 1 111 ? 13.521  -0.853  12.832  1.00 13.19 ? 125 VAL D CA  1 
ATOM   3529 C C   . VAL D 1 111 ? 14.113  0.334   12.077  1.00 13.46 ? 125 VAL D C   1 
ATOM   3530 O O   . VAL D 1 111 ? 15.021  1.014   12.571  1.00 14.03 ? 125 VAL D O   1 
ATOM   3531 C CB  . VAL D 1 111 ? 12.357  -0.416  13.761  1.00 14.42 ? 125 VAL D CB  1 
ATOM   3532 C CG1 . VAL D 1 111 ? 12.851  0.526   14.871  1.00 14.21 ? 125 VAL D CG1 1 
ATOM   3533 C CG2 . VAL D 1 111 ? 11.214  0.209   12.956  1.00 13.22 ? 125 VAL D CG2 1 
ATOM   3534 N N   . GLY D 1 112 ? 13.588  0.590   10.884  1.00 12.35 ? 126 GLY D N   1 
ATOM   3535 C CA  . GLY D 1 112 ? 14.040  1.717   10.101  1.00 13.10 ? 126 GLY D CA  1 
ATOM   3536 C C   . GLY D 1 112 ? 13.075  2.019   8.974   1.00 13.15 ? 126 GLY D C   1 
ATOM   3537 O O   . GLY D 1 112 ? 11.942  1.535   8.955   1.00 12.89 ? 126 GLY D O   1 
ATOM   3538 N N   . HIS D 1 113 ? 13.541  2.834   8.029   1.00 13.22 ? 127 HIS D N   1 
ATOM   3539 C CA  . HIS D 1 113 ? 12.719  3.248   6.899   1.00 13.79 ? 127 HIS D CA  1 
ATOM   3540 C C   . HIS D 1 113 ? 13.580  3.352   5.647   1.00 14.87 ? 127 HIS D C   1 
ATOM   3541 O O   . HIS D 1 113 ? 14.742  3.763   5.716   1.00 17.58 ? 127 HIS D O   1 
ATOM   3542 C CB  . HIS D 1 113 ? 12.040  4.592   7.198   1.00 16.49 ? 127 HIS D CB  1 
ATOM   3543 C CG  . HIS D 1 113 ? 12.949  5.599   7.834   1.00 21.73 ? 127 HIS D CG  1 
ATOM   3544 N ND1 . HIS D 1 113 ? 13.646  6.538   7.105   1.00 26.17 ? 127 HIS D ND1 1 
ATOM   3545 C CD2 . HIS D 1 113 ? 13.276  5.813   9.131   1.00 23.00 ? 127 HIS D CD2 1 
ATOM   3546 C CE1 . HIS D 1 113 ? 14.359  7.291   7.925   1.00 26.46 ? 127 HIS D CE1 1 
ATOM   3547 N NE2 . HIS D 1 113 ? 14.154  6.871   9.159   1.00 26.63 ? 127 HIS D NE2 1 
ATOM   3548 N N   . ASP D 1 114 ? 12.996  2.976   4.509   1.00 14.45 ? 128 ASP D N   1 
ATOM   3549 C CA  . ASP D 1 114 ? 13.642  3.027   3.202   1.00 14.66 ? 128 ASP D CA  1 
ATOM   3550 C C   . ASP D 1 114 ? 12.694  3.679   2.208   1.00 14.27 ? 128 ASP D C   1 
ATOM   3551 O O   . ASP D 1 114 ? 11.488  3.418   2.230   1.00 16.31 ? 128 ASP D O   1 
ATOM   3552 C CB  . ASP D 1 114 ? 13.905  1.616   2.649   1.00 16.95 ? 128 ASP D CB  1 
ATOM   3553 C CG  . ASP D 1 114 ? 15.179  0.988   3.175   1.00 20.83 ? 128 ASP D CG  1 
ATOM   3554 O OD1 . ASP D 1 114 ? 15.950  1.659   3.895   1.00 25.73 ? 128 ASP D OD1 1 
ATOM   3555 O OD2 . ASP D 1 114 ? 15.399  -0.202  2.877   1.00 19.77 ? 128 ASP D OD2 1 
ATOM   3556 N N   A THR D 1 115 ? 13.243  4.510   1.329   0.65 15.02 ? 129 THR D N   1 
ATOM   3557 N N   B THR D 1 115 ? 13.234  4.522   1.336   0.35 14.52 ? 129 THR D N   1 
ATOM   3558 C CA  A THR D 1 115 ? 12.502  5.084   0.214   0.65 16.40 ? 129 THR D CA  1 
ATOM   3559 C CA  B THR D 1 115 ? 12.478  5.068   0.218   0.35 15.52 ? 129 THR D CA  1 
ATOM   3560 C C   A THR D 1 115 ? 13.130  4.593   -1.081  0.65 15.74 ? 129 THR D C   1 
ATOM   3561 C C   B THR D 1 115 ? 13.120  4.603   -1.081  0.35 15.42 ? 129 THR D C   1 
ATOM   3562 O O   A THR D 1 115 ? 14.352  4.666   -1.244  0.65 16.43 ? 129 THR D O   1 
ATOM   3563 O O   B THR D 1 115 ? 14.344  4.683   -1.237  0.35 16.07 ? 129 THR D O   1 
ATOM   3564 C CB  A THR D 1 115 ? 12.564  6.613   0.247   0.65 20.28 ? 129 THR D CB  1 
ATOM   3565 C CB  B THR D 1 115 ? 12.393  6.599   0.276   0.35 17.66 ? 129 THR D CB  1 
ATOM   3566 O OG1 A THR D 1 115 ? 12.064  7.087   1.500   0.65 22.03 ? 129 THR D OG1 1 
ATOM   3567 O OG1 B THR D 1 115 ? 11.778  7.088   -0.924  0.35 19.82 ? 129 THR D OG1 1 
ATOM   3568 C CG2 A THR D 1 115 ? 11.725  7.198   -0.880  0.65 22.90 ? 129 THR D CG2 1 
ATOM   3569 C CG2 B THR D 1 115 ? 13.772  7.222   0.433   0.35 17.56 ? 129 THR D CG2 1 
ATOM   3570 N N   . PHE D 1 116 ? 12.299  4.098   -1.997  1.00 15.00 ? 130 PHE D N   1 
ATOM   3571 C CA  . PHE D 1 116 ? 12.768  3.549   -3.259  1.00 14.56 ? 130 PHE D CA  1 
ATOM   3572 C C   . PHE D 1 116 ? 12.312  4.428   -4.416  1.00 15.00 ? 130 PHE D C   1 
ATOM   3573 O O   . PHE D 1 116 ? 11.185  4.938   -4.416  1.00 15.78 ? 130 PHE D O   1 
ATOM   3574 C CB  . PHE D 1 116 ? 12.233  2.131   -3.465  1.00 15.24 ? 130 PHE D CB  1 
ATOM   3575 C CG  . PHE D 1 116 ? 12.730  1.144   -2.448  1.00 15.40 ? 130 PHE D CG  1 
ATOM   3576 C CD1 . PHE D 1 116 ? 12.053  0.952   -1.248  1.00 15.16 ? 130 PHE D CD1 1 
ATOM   3577 C CD2 . PHE D 1 116 ? 13.883  0.414   -2.687  1.00 15.94 ? 130 PHE D CD2 1 
ATOM   3578 C CE1 . PHE D 1 116 ? 12.513  0.029   -0.319  1.00 15.89 ? 130 PHE D CE1 1 
ATOM   3579 C CE2 . PHE D 1 116 ? 14.346  -0.499  -1.757  1.00 16.74 ? 130 PHE D CE2 1 
ATOM   3580 C CZ  . PHE D 1 116 ? 13.660  -0.683  -0.569  1.00 17.00 ? 130 PHE D CZ  1 
ATOM   3581 N N   . THR D 1 117 ? 13.198  4.606   -5.394  1.00 15.36 ? 131 THR D N   1 
ATOM   3582 C CA  . THR D 1 117 ? 12.896  5.337   -6.615  1.00 18.22 ? 131 THR D CA  1 
ATOM   3583 C C   . THR D 1 117 ? 13.275  4.471   -7.808  1.00 16.17 ? 131 THR D C   1 
ATOM   3584 O O   . THR D 1 117 ? 14.004  3.485   -7.674  1.00 15.51 ? 131 THR D O   1 
ATOM   3585 C CB  . THR D 1 117 ? 13.660  6.669   -6.675  1.00 23.40 ? 131 THR D CB  1 
ATOM   3586 O OG1 . THR D 1 117 ? 15.068  6.422   -6.689  1.00 26.60 ? 131 THR D OG1 1 
ATOM   3587 C CG2 . THR D 1 117 ? 13.338  7.521   -5.468  1.00 24.52 ? 131 THR D CG2 1 
ATOM   3588 N N   . LYS D 1 118 ? 12.765  4.844   -8.986  1.00 16.56 ? 132 LYS D N   1 
ATOM   3589 C CA  . LYS D 1 118 ? 13.097  4.130   -10.213 1.00 16.92 ? 132 LYS D CA  1 
ATOM   3590 C C   . LYS D 1 118 ? 14.438  4.551   -10.804 1.00 17.73 ? 132 LYS D C   1 
ATOM   3591 O O   . LYS D 1 118 ? 14.879  3.929   -11.777 1.00 18.41 ? 132 LYS D O   1 
ATOM   3592 C CB  . LYS D 1 118 ? 11.975  4.293   -11.247 1.00 20.44 ? 132 LYS D CB  1 
ATOM   3593 C CG  . LYS D 1 118 ? 10.726  3.485   -10.911 1.00 21.57 ? 132 LYS D CG  1 
ATOM   3594 C CD  . LYS D 1 118 ? 9.627   3.687   -11.947 1.00 26.97 ? 132 LYS D CD  1 
ATOM   3595 C CE  . LYS D 1 118 ? 8.353   2.934   -11.572 1.00 30.03 ? 132 LYS D CE  1 
ATOM   3596 N NZ  . LYS D 1 118 ? 8.407   1.479   -11.910 1.00 33.81 ? 132 LYS D NZ  1 
ATOM   3597 N N   . VAL D 1 119 ? 15.087  5.567   -10.231 1.00 20.44 ? 133 VAL D N   1 
ATOM   3598 C CA  . VAL D 1 119 ? 16.368  6.093   -10.688 1.00 26.31 ? 133 VAL D CA  1 
ATOM   3599 C C   . VAL D 1 119 ? 17.394  5.904   -9.579  1.00 31.28 ? 133 VAL D C   1 
ATOM   3600 O O   . VAL D 1 119 ? 17.113  6.190   -8.412  1.00 33.15 ? 133 VAL D O   1 
ATOM   3601 C CB  . VAL D 1 119 ? 16.254  7.595   -11.017 1.00 28.71 ? 133 VAL D CB  1 
ATOM   3602 C CG1 . VAL D 1 119 ? 17.466  8.052   -11.807 1.00 28.64 ? 133 VAL D CG1 1 
ATOM   3603 C CG2 . VAL D 1 119 ? 14.946  7.896   -11.750 1.00 31.28 ? 133 VAL D CG2 1 
ATOM   3604 N N   . LYS D 1 120 ? 18.592  5.464   -9.950  1.00 39.65 ? 134 LYS D N   1 
ATOM   3605 C CA  . LYS D 1 120 ? 19.672  5.248   -8.983  1.00 44.91 ? 134 LYS D CA  1 
ATOM   3606 C C   . LYS D 1 120 ? 20.056  6.521   -8.226  1.00 45.36 ? 134 LYS D C   1 
ATOM   3607 O O   . LYS D 1 120 ? 19.921  7.633   -8.738  1.00 45.72 ? 134 LYS D O   1 
ATOM   3608 C CB  . LYS D 1 120 ? 20.900  4.677   -9.690  1.00 47.16 ? 134 LYS D CB  1 
ATOM   3609 C CG  . LYS D 1 120 ? 20.556  3.825   -10.903 1.00 49.02 ? 134 LYS D CG  1 
ATOM   3610 C CD  . LYS D 1 120 ? 21.781  3.128   -11.462 1.00 50.76 ? 134 LYS D CD  1 
ATOM   3611 C CE  . LYS D 1 120 ? 22.317  2.096   -10.487 1.00 53.02 ? 134 LYS D CE  1 
ATOM   3612 N NZ  . LYS D 1 120 ? 23.462  1.335   -11.056 1.00 54.72 ? 134 LYS D NZ  1 
HETATM 3613 C C10 . 6FX E 2 .   ? -3.388  -9.350  12.887  0.84 25.76 ? 201 6FX A C10 1 
HETATM 3614 C C11 . 6FX E 2 .   ? -1.478  -7.861  13.157  0.84 15.68 ? 201 6FX A C11 1 
HETATM 3615 O O3  . 6FX E 2 .   ? -6.968  -2.232  7.455   0.84 27.24 ? 201 6FX A O3  1 
HETATM 3616 C C13 . 6FX E 2 .   ? -6.484  -2.824  8.384   0.84 26.17 ? 201 6FX A C13 1 
HETATM 3617 O O4  . 6FX E 2 .   ? -5.791  -2.212  9.344   0.84 30.26 ? 201 6FX A O4  1 
HETATM 3618 C C14 . 6FX E 2 .   ? -5.657  -0.773  9.219   0.84 28.28 ? 201 6FX A C14 1 
HETATM 3619 C C5  . 6FX E 2 .   ? -6.672  -4.278  8.648   0.84 22.90 ? 201 6FX A C5  1 
HETATM 3620 C C1  . 6FX E 2 .   ? -7.626  -5.022  7.973   0.84 24.30 ? 201 6FX A C1  1 
HETATM 3621 C C4  . 6FX E 2 .   ? -5.833  -4.961  9.519   0.84 23.14 ? 201 6FX A C4  1 
HETATM 3622 C C3  . 6FX E 2 .   ? -6.023  -6.313  9.767   0.84 21.76 ? 201 6FX A C3  1 
HETATM 3623 C C2  . 6FX E 2 .   ? -7.019  -6.964  9.044   0.84 24.47 ? 201 6FX A C2  1 
HETATM 3624 N N1  . 6FX E 2 .   ? -7.820  -6.327  8.170   0.84 26.01 ? 201 6FX A N1  1 
HETATM 3625 C C6  . 6FX E 2 .   ? -5.129  -7.032  10.661  0.84 23.56 ? 201 6FX A C6  1 
HETATM 3626 O O1  . 6FX E 2 .   ? -3.961  -6.344  10.972  0.84 23.42 ? 201 6FX A O1  1 
HETATM 3627 C C9  . 6FX E 2 .   ? -3.242  -7.172  11.799  0.84 22.22 ? 201 6FX A C9  1 
HETATM 3628 C C12 . 6FX E 2 .   ? -2.011  -6.914  12.357  0.84 10.30 ? 201 6FX A C12 1 
HETATM 3629 N N2  . 6FX E 2 .   ? -2.148  -9.020  13.413  0.84 22.25 ? 201 6FX A N2  1 
HETATM 3630 O O2  . 6FX E 2 .   ? -3.910  -10.443 13.178  0.84 22.89 ? 201 6FX A O2  1 
HETATM 3631 C C8  . 6FX E 2 .   ? -3.947  -8.345  12.034  0.84 24.96 ? 201 6FX A C8  1 
HETATM 3632 C C7  . 6FX E 2 .   ? -5.155  -8.230  11.287  0.84 24.03 ? 201 6FX A C7  1 
HETATM 3633 C C10 . 6FX F 2 .   ? 14.279  -2.303  29.012  0.90 25.70 ? 201 6FX B C10 1 
HETATM 3634 C C11 . 6FX F 2 .   ? 13.465  -1.818  26.769  0.90 19.66 ? 201 6FX B C11 1 
HETATM 3635 O O3  . 6FX F 2 .   ? 21.699  -1.142  31.577  0.90 38.94 ? 201 6FX B O3  1 
HETATM 3636 C C13 . 6FX F 2 .   ? 22.113  -0.927  30.466  0.90 36.58 ? 201 6FX B C13 1 
HETATM 3637 O O4  . 6FX F 2 .   ? 23.409  -0.836  30.169  0.90 37.99 ? 201 6FX B O4  1 
HETATM 3638 C C14 . 6FX F 2 .   ? 24.331  -1.072  31.261  0.90 39.35 ? 201 6FX B C14 1 
HETATM 3639 C C5  . 6FX F 2 .   ? 21.260  -0.830  29.255  0.90 30.87 ? 201 6FX B C5  1 
HETATM 3640 C C1  . 6FX F 2 .   ? 21.789  -0.479  28.024  0.90 30.15 ? 201 6FX B C1  1 
HETATM 3641 C C4  . 6FX F 2 .   ? 19.903  -1.132  29.314  0.90 28.59 ? 201 6FX B C4  1 
HETATM 3642 C C3  . 6FX F 2 .   ? 19.126  -1.046  28.169  0.90 27.31 ? 201 6FX B C3  1 
HETATM 3643 C C2  . 6FX F 2 .   ? 19.754  -0.675  26.983  0.90 28.11 ? 201 6FX B C2  1 
HETATM 3644 N N1  . 6FX F 2 .   ? 21.064  -0.393  26.907  0.90 29.60 ? 201 6FX B N1  1 
HETATM 3645 C C6  . 6FX F 2 .   ? 17.704  -1.348  28.206  0.90 26.62 ? 201 6FX B C6  1 
HETATM 3646 O O1  . 6FX F 2 .   ? 17.038  -1.139  27.003  0.90 26.37 ? 201 6FX B O1  1 
HETATM 3647 C C9  . 6FX F 2 .   ? 15.726  -1.473  27.234  0.90 22.40 ? 201 6FX B C9  1 
HETATM 3648 C C12 . 6FX F 2 .   ? 14.687  -1.444  26.325  0.90 16.42 ? 201 6FX B C12 1 
HETATM 3649 N N2  . 6FX F 2 .   ? 13.277  -2.234  28.052  0.90 23.29 ? 201 6FX B N2  1 
HETATM 3650 O O2  . 6FX F 2 .   ? 14.005  -2.695  30.163  0.90 26.17 ? 201 6FX B O2  1 
HETATM 3651 C C8  . 6FX F 2 .   ? 15.564  -1.895  28.546  0.90 25.43 ? 201 6FX B C8  1 
HETATM 3652 C C7  . 6FX F 2 .   ? 16.853  -1.804  29.151  0.90 26.26 ? 201 6FX B C7  1 
HETATM 3653 C C10 . 6FX G 2 .   ? 4.601   14.797  15.103  0.93 22.57 ? 201 6FX C C10 1 
HETATM 3654 C C11 . 6FX G 2 .   ? 5.052   12.403  15.170  0.93 16.94 ? 201 6FX C C11 1 
HETATM 3655 O O3  . 6FX G 2 .   ? -1.937  18.357  17.713  0.93 33.36 ? 201 6FX C O3  1 
HETATM 3656 C C13 . 6FX G 2 .   ? -2.511  17.321  17.935  0.93 33.28 ? 201 6FX C C13 1 
HETATM 3657 O O4  . 6FX G 2 .   ? -3.802  17.255  18.264  0.93 37.99 ? 201 6FX C O4  1 
HETATM 3658 C C14 . 6FX G 2 .   ? -4.516  18.515  18.276  0.93 38.37 ? 201 6FX C C14 1 
HETATM 3659 C C5  . 6FX G 2 .   ? -1.897  15.976  17.791  0.93 26.94 ? 201 6FX C C5  1 
HETATM 3660 C C1  . 6FX G 2 .   ? -2.574  14.818  18.140  0.93 24.93 ? 201 6FX C C1  1 
HETATM 3661 C C4  . 6FX G 2 .   ? -0.620  15.840  17.257  0.93 24.52 ? 201 6FX C C4  1 
HETATM 3662 C C3  . 6FX G 2 .   ? -0.059  14.579  17.114  0.93 22.31 ? 201 6FX C C3  1 
HETATM 3663 C C2  . 6FX G 2 .   ? -0.823  13.481  17.500  0.93 21.94 ? 201 6FX C C2  1 
HETATM 3664 N N1  . 6FX G 2 .   ? -2.061  13.593  18.008  0.93 23.91 ? 201 6FX C N1  1 
HETATM 3665 C C6  . 6FX G 2 .   ? 1.279   14.421  16.564  0.93 22.23 ? 201 6FX C C6  1 
HETATM 3666 O O1  . 6FX G 2 .   ? 1.736   13.106  16.508  0.93 22.20 ? 201 6FX C O1  1 
HETATM 3667 C C9  . 6FX G 2 .   ? 2.998   13.167  15.965  0.93 19.37 ? 201 6FX C C9  1 
HETATM 3668 C C12 . 6FX G 2 .   ? 3.846   12.111  15.705  0.93 12.31 ? 201 6FX C C12 1 
HETATM 3669 N N2  . 6FX G 2 .   ? 5.403   13.688  14.880  0.93 20.22 ? 201 6FX C N2  1 
HETATM 3670 O O2  . 6FX G 2 .   ? 5.019   15.933  14.803  0.93 21.50 ? 201 6FX C O2  1 
HETATM 3671 C C8  . 6FX G 2 .   ? 3.332   14.487  15.680  0.93 21.13 ? 201 6FX C C8  1 
HETATM 3672 C C7  . 6FX G 2 .   ? 2.210   15.271  16.077  0.93 21.66 ? 201 6FX C C7  1 
HETATM 3673 C C10 . 6FX H 2 .   ? 18.110  -2.887  3.472   0.85 23.88 ? 201 6FX D C10 1 
HETATM 3674 C C11 . 6FX H 2 .   ? 16.616  -2.454  5.348   0.85 17.55 ? 201 6FX D C11 1 
HETATM 3675 O O3  . 6FX H 2 .   ? 24.122  -9.882  4.625   0.85 39.05 ? 201 6FX D O3  1 
HETATM 3676 C C13 . 6FX H 2 .   ? 23.410  -8.963  4.310   0.85 37.11 ? 201 6FX D C13 1 
HETATM 3677 O O4  . 6FX H 2 .   ? 23.452  -8.375  3.114   0.85 38.55 ? 201 6FX D O4  1 
HETATM 3678 C C14 . 6FX H 2 .   ? 24.430  -8.896  2.182   0.85 37.52 ? 201 6FX D C14 1 
HETATM 3679 C C5  . 6FX H 2 .   ? 22.390  -8.351  5.200   0.85 32.17 ? 201 6FX D C5  1 
HETATM 3680 C C1  . 6FX H 2 .   ? 22.192  -8.813  6.491   0.85 31.51 ? 201 6FX D C1  1 
HETATM 3681 C C4  . 6FX H 2 .   ? 21.609  -7.288  4.761   0.85 29.58 ? 201 6FX D C4  1 
HETATM 3682 C C3  . 6FX H 2 .   ? 20.664  -6.729  5.611   0.85 27.52 ? 201 6FX D C3  1 
HETATM 3683 C C2  . 6FX H 2 .   ? 20.544  -7.266  6.889   0.85 28.56 ? 201 6FX D C2  1 
HETATM 3684 N N1  . 6FX H 2 .   ? 21.292  -8.293  7.329   0.85 30.48 ? 201 6FX D N1  1 
HETATM 3685 C C6  . 6FX H 2 .   ? 19.825  -5.620  5.179   0.85 25.89 ? 201 6FX D C6  1 
HETATM 3686 O O1  . 6FX H 2 .   ? 18.886  -5.206  6.120   0.85 26.34 ? 201 6FX D O1  1 
HETATM 3687 C C9  . 6FX H 2 .   ? 18.193  -4.171  5.539   0.85 23.11 ? 201 6FX D C9  1 
HETATM 3688 C C12 . 6FX H 2 .   ? 17.165  -3.436  6.095   0.85 18.02 ? 201 6FX D C12 1 
HETATM 3689 N N2  . 6FX H 2 .   ? 17.080  -2.195  4.094   0.85 21.60 ? 201 6FX D N2  1 
HETATM 3690 O O2  . 6FX H 2 .   ? 18.454  -2.570  2.318   0.85 23.77 ? 201 6FX D O2  1 
HETATM 3691 C C8  . 6FX H 2 .   ? 18.683  -3.929  4.262   0.85 23.80 ? 201 6FX D C8  1 
HETATM 3692 C C7  . 6FX H 2 .   ? 19.731  -4.877  4.055   0.85 24.21 ? 201 6FX D C7  1 
HETATM 3693 O O   A HOH I 3 .   ? 8.682   -30.183 13.035  0.43 28.47 ? 301 HOH A O   1 
HETATM 3694 O O   B HOH I 3 .   ? 7.860   -30.426 14.652  0.57 39.16 ? 301 HOH A O   1 
HETATM 3695 O O   . HOH I 3 .   ? 5.057   -25.026 30.679  1.00 49.77 ? 302 HOH A O   1 
HETATM 3696 O O   . HOH I 3 .   ? -13.267 -1.981  3.204   1.00 43.70 ? 303 HOH A O   1 
HETATM 3697 O O   . HOH I 3 .   ? -8.152  -24.086 13.639  1.00 45.51 ? 304 HOH A O   1 
HETATM 3698 O O   . HOH I 3 .   ? 11.537  -10.608 9.263   1.00 33.58 ? 305 HOH A O   1 
HETATM 3699 O O   . HOH I 3 .   ? -2.283  -8.083  16.970  1.00 46.05 ? 306 HOH A O   1 
HETATM 3700 O O   . HOH I 3 .   ? 14.014  -24.359 20.839  1.00 50.28 ? 307 HOH A O   1 
HETATM 3701 O O   . HOH I 3 .   ? -14.437 -18.366 2.873   1.00 41.17 ? 308 HOH A O   1 
HETATM 3702 O O   . HOH I 3 .   ? 3.287   10.746  -1.957  1.00 36.19 ? 309 HOH A O   1 
HETATM 3703 O O   . HOH I 3 .   ? -2.217  -26.218 15.456  1.00 34.21 ? 310 HOH A O   1 
HETATM 3704 O O   . HOH I 3 .   ? 5.900   -28.943 10.999  1.00 34.07 ? 311 HOH A O   1 
HETATM 3705 O O   . HOH I 3 .   ? 16.823  -23.541 1.116   1.00 38.46 ? 312 HOH A O   1 
HETATM 3706 O O   . HOH I 3 .   ? 19.328  -23.108 16.990  1.00 40.47 ? 313 HOH A O   1 
HETATM 3707 O O   . HOH I 3 .   ? -8.311  -19.900 8.536   1.00 23.31 ? 314 HOH A O   1 
HETATM 3708 O O   . HOH I 3 .   ? -1.807  -26.999 8.958   1.00 26.73 ? 315 HOH A O   1 
HETATM 3709 O O   . HOH I 3 .   ? -7.427  -17.595 21.040  1.00 46.08 ? 316 HOH A O   1 
HETATM 3710 O O   . HOH I 3 .   ? -10.179 -6.967  3.924   1.00 19.48 ? 317 HOH A O   1 
HETATM 3711 O O   . HOH I 3 .   ? -10.017 -12.641 8.237   1.00 21.75 ? 318 HOH A O   1 
HETATM 3712 O O   . HOH I 3 .   ? -7.015  -24.698 23.173  1.00 22.76 ? 319 HOH A O   1 
HETATM 3713 O O   . HOH I 3 .   ? -9.212  -17.050 13.215  1.00 29.68 ? 320 HOH A O   1 
HETATM 3714 O O   . HOH I 3 .   ? -2.409  -11.067 0.424   1.00 14.39 ? 321 HOH A O   1 
HETATM 3715 O O   . HOH I 3 .   ? 16.319  -19.198 3.476   1.00 20.15 ? 322 HOH A O   1 
HETATM 3716 O O   . HOH I 3 .   ? -16.985 -15.158 4.987   1.00 34.82 ? 323 HOH A O   1 
HETATM 3717 O O   . HOH I 3 .   ? 2.091   6.158   10.723  1.00 25.48 ? 324 HOH A O   1 
HETATM 3718 O O   . HOH I 3 .   ? -9.158  -21.464 22.917  1.00 37.37 ? 325 HOH A O   1 
HETATM 3719 O O   . HOH I 3 .   ? 9.030   -20.956 -3.941  1.00 40.83 ? 326 HOH A O   1 
HETATM 3720 O O   . HOH I 3 .   ? -13.124 -7.714  12.572  1.00 38.03 ? 327 HOH A O   1 
HETATM 3721 O O   . HOH I 3 .   ? -13.506 -14.597 8.925   1.00 43.40 ? 328 HOH A O   1 
HETATM 3722 O O   . HOH I 3 .   ? 17.643  -17.790 11.606  1.00 18.41 ? 329 HOH A O   1 
HETATM 3723 O O   . HOH I 3 .   ? 0.671   -18.526 -0.437  1.00 25.30 ? 330 HOH A O   1 
HETATM 3724 O O   . HOH I 3 .   ? -5.203  -22.672 4.087   1.00 37.22 ? 331 HOH A O   1 
HETATM 3725 O O   . HOH I 3 .   ? -5.999  13.783  2.090   1.00 32.28 ? 332 HOH A O   1 
HETATM 3726 O O   . HOH I 3 .   ? -6.545  2.184   3.133   1.00 33.41 ? 333 HOH A O   1 
HETATM 3727 O O   . HOH I 3 .   ? -2.781  1.205   8.836   1.00 14.54 ? 334 HOH A O   1 
HETATM 3728 O O   . HOH I 3 .   ? -5.473  -4.383  0.372   1.00 15.91 ? 335 HOH A O   1 
HETATM 3729 O O   . HOH I 3 .   ? -6.517  5.183   3.961   1.00 40.48 ? 336 HOH A O   1 
HETATM 3730 O O   . HOH I 3 .   ? -3.414  14.388  8.084   1.00 38.38 ? 337 HOH A O   1 
HETATM 3731 O O   . HOH I 3 .   ? -11.128 -16.047 1.250   1.00 23.83 ? 338 HOH A O   1 
HETATM 3732 O O   . HOH I 3 .   ? 4.496   7.316   9.491   1.00 39.65 ? 339 HOH A O   1 
HETATM 3733 O O   . HOH I 3 .   ? -12.688 -1.558  -0.715  1.00 36.66 ? 340 HOH A O   1 
HETATM 3734 O O   . HOH I 3 .   ? -5.878  -19.120 7.513   1.00 21.21 ? 341 HOH A O   1 
HETATM 3735 O O   . HOH I 3 .   ? 5.179   2.151   6.459   1.00 17.75 ? 342 HOH A O   1 
HETATM 3736 O O   . HOH I 3 .   ? -11.421 -5.017  14.962  1.00 44.52 ? 343 HOH A O   1 
HETATM 3737 O O   . HOH I 3 .   ? 11.782  -14.972 20.626  1.00 35.00 ? 344 HOH A O   1 
HETATM 3738 O O   . HOH I 3 .   ? 23.933  -17.394 15.580  1.00 38.21 ? 345 HOH A O   1 
HETATM 3739 O O   . HOH I 3 .   ? 6.924   -28.749 5.410   1.00 40.28 ? 346 HOH A O   1 
HETATM 3740 O O   . HOH I 3 .   ? 15.944  -22.466 15.417  1.00 25.16 ? 347 HOH A O   1 
HETATM 3741 O O   . HOH I 3 .   ? -4.269  6.642   11.148  1.00 30.71 ? 348 HOH A O   1 
HETATM 3742 O O   . HOH I 3 .   ? 12.711  -19.936 -3.453  1.00 42.95 ? 349 HOH A O   1 
HETATM 3743 O O   . HOH I 3 .   ? 15.716  -20.247 20.952  1.00 46.03 ? 350 HOH A O   1 
HETATM 3744 O O   . HOH I 3 .   ? -2.411  -19.325 -0.233  1.00 33.31 ? 351 HOH A O   1 
HETATM 3745 O O   . HOH I 3 .   ? -12.338 -10.325 11.292  1.00 42.06 ? 352 HOH A O   1 
HETATM 3746 O O   . HOH I 3 .   ? -11.932 -20.028 7.351   1.00 47.40 ? 353 HOH A O   1 
HETATM 3747 O O   . HOH I 3 .   ? 2.564   -24.380 20.449  1.00 32.17 ? 354 HOH A O   1 
HETATM 3748 O O   . HOH I 3 .   ? 11.912  -27.352 15.997  1.00 48.82 ? 355 HOH A O   1 
HETATM 3749 O O   . HOH I 3 .   ? 1.974   13.074  5.860   1.00 21.58 ? 356 HOH A O   1 
HETATM 3750 O O   . HOH I 3 .   ? 8.832   -24.031 -2.459  1.00 47.77 ? 357 HOH A O   1 
HETATM 3751 O O   . HOH I 3 .   ? -1.260  11.767  -2.380  1.00 42.88 ? 358 HOH A O   1 
HETATM 3752 O O   . HOH I 3 .   ? -9.104  -22.301 9.395   1.00 32.81 ? 359 HOH A O   1 
HETATM 3753 O O   . HOH I 3 .   ? 5.919   -22.959 0.976   1.00 23.06 ? 360 HOH A O   1 
HETATM 3754 O O   . HOH I 3 .   ? -11.479 -20.350 10.890  1.00 43.66 ? 361 HOH A O   1 
HETATM 3755 O O   . HOH I 3 .   ? 5.885   -11.026 19.914  1.00 24.91 ? 362 HOH A O   1 
HETATM 3756 O O   . HOH I 3 .   ? -2.261  -28.157 18.728  1.00 42.53 ? 363 HOH A O   1 
HETATM 3757 O O   . HOH I 3 .   ? 13.474  -23.961 11.791  1.00 25.19 ? 364 HOH A O   1 
HETATM 3758 O O   . HOH I 3 .   ? 0.983   15.610  6.516   1.00 28.21 ? 365 HOH A O   1 
HETATM 3759 O O   . HOH I 3 .   ? 3.496   5.745   4.246   1.00 26.23 ? 366 HOH A O   1 
HETATM 3760 O O   . HOH I 3 .   ? 9.209   -22.140 22.209  1.00 39.25 ? 367 HOH A O   1 
HETATM 3761 O O   . HOH I 3 .   ? -7.145  0.507   5.862   1.00 42.51 ? 368 HOH A O   1 
HETATM 3762 O O   . HOH I 3 .   ? -4.909  -15.004 24.414  1.00 40.41 ? 369 HOH A O   1 
HETATM 3763 O O   . HOH I 3 .   ? -5.934  -25.791 9.885   1.00 25.73 ? 370 HOH A O   1 
HETATM 3764 O O   . HOH I 3 .   ? 0.732   -23.465 1.370   1.00 33.85 ? 371 HOH A O   1 
HETATM 3765 O O   . HOH I 3 .   ? 6.949   -27.068 16.106  1.00 37.41 ? 372 HOH A O   1 
HETATM 3766 O O   . HOH I 3 .   ? -6.092  -12.960 -0.530  1.00 17.58 ? 373 HOH A O   1 
HETATM 3767 O O   . HOH I 3 .   ? -4.371  -10.032 -1.660  1.00 23.75 ? 374 HOH A O   1 
HETATM 3768 O O   . HOH I 3 .   ? -8.712  -19.335 27.409  1.00 46.86 ? 375 HOH A O   1 
HETATM 3769 O O   . HOH I 3 .   ? 9.605   -28.021 -0.183  1.00 42.57 ? 376 HOH A O   1 
HETATM 3770 O O   . HOH I 3 .   ? -0.100  -23.614 3.940   1.00 30.15 ? 377 HOH A O   1 
HETATM 3771 O O   . HOH I 3 .   ? -6.916  1.916   7.556   1.00 51.00 ? 378 HOH A O   1 
HETATM 3772 O O   . HOH I 3 .   ? 19.443  -25.471 13.965  1.00 41.24 ? 379 HOH A O   1 
HETATM 3773 O O   . HOH I 3 .   ? 20.369  -25.857 10.515  1.00 48.78 ? 380 HOH A O   1 
HETATM 3774 O O   . HOH I 3 .   ? 19.459  -18.908 13.591  1.00 22.71 ? 381 HOH A O   1 
HETATM 3775 O O   . HOH I 3 .   ? -3.045  3.702   9.993   1.00 19.68 ? 382 HOH A O   1 
HETATM 3776 O O   . HOH I 3 .   ? 9.893   -10.965 17.498  1.00 25.81 ? 383 HOH A O   1 
HETATM 3777 O O   . HOH I 3 .   ? 0.132   -8.299  21.806  1.00 45.95 ? 384 HOH A O   1 
HETATM 3778 O O   . HOH I 3 .   ? -12.603 -7.352  -2.738  1.00 37.77 ? 385 HOH A O   1 
HETATM 3779 O O   . HOH I 3 .   ? 6.770   -17.737 -0.787  1.00 22.70 ? 386 HOH A O   1 
HETATM 3780 O O   . HOH I 3 .   ? 0.165   -26.204 6.992   1.00 25.80 ? 387 HOH A O   1 
HETATM 3781 O O   . HOH I 3 .   ? 4.549   6.912   7.318   1.00 46.31 ? 388 HOH A O   1 
HETATM 3782 O O   . HOH I 3 .   ? -11.424 -0.106  2.288   1.00 31.07 ? 389 HOH A O   1 
HETATM 3783 O O   . HOH I 3 .   ? 2.341   -28.950 12.724  1.00 39.07 ? 390 HOH A O   1 
HETATM 3784 O O   . HOH I 3 .   ? 0.358   -17.259 23.729  1.00 46.49 ? 391 HOH A O   1 
HETATM 3785 O O   . HOH I 3 .   ? 14.289  -23.156 17.552  1.00 37.78 ? 392 HOH A O   1 
HETATM 3786 O O   . HOH I 3 .   ? -18.080 -9.074  -1.422  1.00 36.03 ? 393 HOH A O   1 
HETATM 3787 O O   . HOH I 3 .   ? -11.243 -14.927 -1.195  1.00 28.27 ? 394 HOH A O   1 
HETATM 3788 O O   . HOH I 3 .   ? -6.620  3.575   0.038   1.00 20.29 ? 395 HOH A O   1 
HETATM 3789 O O   . HOH I 3 .   ? -0.710  -17.360 21.083  1.00 32.88 ? 396 HOH A O   1 
HETATM 3790 O O   . HOH I 3 .   ? 14.428  -23.787 9.213   1.00 22.83 ? 397 HOH A O   1 
HETATM 3791 O O   . HOH I 3 .   ? -14.184 -3.967  1.296   1.00 32.66 ? 398 HOH A O   1 
HETATM 3792 O O   . HOH I 3 .   ? -0.191  -27.785 12.975  1.00 28.83 ? 399 HOH A O   1 
HETATM 3793 O O   . HOH I 3 .   ? 23.549  -23.245 9.817   1.00 41.28 ? 400 HOH A O   1 
HETATM 3794 O O   . HOH I 3 .   ? -8.681  12.576  4.974   1.00 53.98 ? 401 HOH A O   1 
HETATM 3795 O O   . HOH I 3 .   ? 4.957   9.716   2.441   1.00 46.61 ? 402 HOH A O   1 
HETATM 3796 O O   . HOH I 3 .   ? -14.229 -18.453 6.095   1.00 47.98 ? 403 HOH A O   1 
HETATM 3797 O O   . HOH I 3 .   ? -1.166  -21.473 23.679  1.00 42.05 ? 404 HOH A O   1 
HETATM 3798 O O   . HOH I 3 .   ? -7.936  -22.032 1.723   1.00 41.20 ? 405 HOH A O   1 
HETATM 3799 O O   . HOH I 3 .   ? -5.691  9.111   3.057   1.00 22.70 ? 406 HOH A O   1 
HETATM 3800 O O   . HOH I 3 .   ? -2.337  14.825  -0.094  1.00 23.77 ? 407 HOH A O   1 
HETATM 3801 O O   . HOH I 3 .   ? 3.781   -10.692 21.570  1.00 26.82 ? 408 HOH A O   1 
HETATM 3802 O O   . HOH I 3 .   ? -10.964 -4.984  -4.378  1.00 37.39 ? 409 HOH A O   1 
HETATM 3803 O O   . HOH I 3 .   ? 8.486   -27.040 8.698   1.00 30.16 ? 410 HOH A O   1 
HETATM 3804 O O   . HOH I 3 .   ? 0.259   -5.329  19.577  1.00 22.51 ? 411 HOH A O   1 
HETATM 3805 O O   . HOH I 3 .   ? -3.896  7.838   7.269   1.00 24.45 ? 412 HOH A O   1 
HETATM 3806 O O   . HOH I 3 .   ? 15.162  -25.934 8.217   1.00 48.28 ? 413 HOH A O   1 
HETATM 3807 O O   . HOH I 3 .   ? 18.546  -22.077 23.432  1.00 52.41 ? 414 HOH A O   1 
HETATM 3808 O O   . HOH I 3 .   ? 10.962  -27.902 4.038   1.00 50.42 ? 415 HOH A O   1 
HETATM 3809 O O   . HOH I 3 .   ? 22.966  -23.781 23.068  1.00 33.31 ? 416 HOH A O   1 
HETATM 3810 O O   . HOH I 3 .   ? 16.754  -20.547 1.089   1.00 24.81 ? 417 HOH A O   1 
HETATM 3811 O O   . HOH I 3 .   ? 25.518  -22.635 13.092  1.00 51.04 ? 418 HOH A O   1 
HETATM 3812 O O   . HOH I 3 .   ? 14.113  -26.616 5.419   1.00 48.53 ? 419 HOH A O   1 
HETATM 3813 O O   . HOH I 3 .   ? 1.085   8.315   0.249   1.00 34.99 ? 420 HOH A O   1 
HETATM 3814 O O   . HOH I 3 .   ? -7.777  -15.338 -0.417  1.00 34.61 ? 421 HOH A O   1 
HETATM 3815 O O   . HOH I 3 .   ? -7.111  -21.520 27.509  1.00 40.60 ? 422 HOH A O   1 
HETATM 3816 O O   . HOH I 3 .   ? 15.597  -20.241 -3.036  1.00 32.49 ? 423 HOH A O   1 
HETATM 3817 O O   . HOH I 3 .   ? -2.310  16.921  6.671   1.00 51.12 ? 424 HOH A O   1 
HETATM 3818 O O   . HOH I 3 .   ? 1.013   -10.658 21.730  1.00 36.75 ? 425 HOH A O   1 
HETATM 3819 O O   . HOH I 3 .   ? 18.893  -26.927 8.180   1.00 52.59 ? 426 HOH A O   1 
HETATM 3820 O O   . HOH I 3 .   ? 0.180   -19.377 24.867  1.00 38.69 ? 427 HOH A O   1 
HETATM 3821 O O   . HOH I 3 .   ? 17.227  -19.048 -1.119  1.00 25.45 ? 428 HOH A O   1 
HETATM 3822 O O   . HOH I 3 .   ? 11.372  -25.320 11.133  1.00 42.07 ? 429 HOH A O   1 
HETATM 3823 O O   . HOH I 3 .   ? -8.899  -11.740 -4.183  1.00 39.71 ? 430 HOH A O   1 
HETATM 3824 O O   . HOH I 3 .   ? 1.595   -2.783  22.972  1.00 42.69 ? 431 HOH A O   1 
HETATM 3825 O O   . HOH I 3 .   ? 9.255   -9.562  19.664  1.00 34.67 ? 432 HOH A O   1 
HETATM 3826 O O   . HOH I 3 .   ? -4.118  5.148   7.652   1.00 24.65 ? 433 HOH A O   1 
HETATM 3827 O O   . HOH I 3 .   ? -11.266 -14.954 12.588  1.00 43.36 ? 434 HOH A O   1 
HETATM 3828 O O   . HOH I 3 .   ? -1.604  -7.100  18.778  1.00 44.78 ? 435 HOH A O   1 
HETATM 3829 O O   . HOH I 3 .   ? 15.637  -22.946 19.567  1.00 44.51 ? 436 HOH A O   1 
HETATM 3830 O O   . HOH I 3 .   ? -9.542  2.040   2.945   1.00 39.65 ? 437 HOH A O   1 
HETATM 3831 O O   . HOH I 3 .   ? 4.456   11.935  6.146   1.00 39.83 ? 438 HOH A O   1 
HETATM 3832 O O   . HOH I 3 .   ? 4.959   9.304   5.598   1.00 32.64 ? 439 HOH A O   1 
HETATM 3833 O O   . HOH I 3 .   ? -11.947 -20.497 4.489   1.00 46.84 ? 440 HOH A O   1 
HETATM 3834 O O   . HOH I 3 .   ? 2.097   -23.714 -2.163  1.00 44.56 ? 441 HOH A O   1 
HETATM 3835 O O   . HOH I 3 .   ? -7.009  -17.302 0.597   1.00 33.63 ? 442 HOH A O   1 
HETATM 3836 O O   . HOH I 3 .   ? -9.195  10.475  4.043   1.00 48.74 ? 443 HOH A O   1 
HETATM 3837 O O   . HOH I 3 .   ? 25.822  -18.810 14.288  1.00 48.53 ? 444 HOH A O   1 
HETATM 3838 O O   . HOH I 3 .   ? 0.582   9.558   -2.190  1.00 42.25 ? 445 HOH A O   1 
HETATM 3839 O O   . HOH I 3 .   ? -8.307  9.196   6.324   1.00 43.30 ? 446 HOH A O   1 
HETATM 3840 O O   . HOH I 3 .   ? -8.349  12.123  1.840   1.00 51.08 ? 447 HOH A O   1 
HETATM 3841 O O   . HOH I 3 .   ? -6.550  4.608   6.466   1.00 39.22 ? 448 HOH A O   1 
HETATM 3842 O O   . HOH I 3 .   ? -6.015  7.874   5.579   1.00 27.70 ? 449 HOH A O   1 
HETATM 3843 O O   . HOH I 3 .   ? 0.600   16.697  9.289   1.00 45.07 ? 450 HOH A O   1 
HETATM 3844 O O   . HOH I 3 .   ? -1.521  -28.872 10.562  1.00 34.47 ? 451 HOH A O   1 
HETATM 3845 O O   . HOH I 3 .   ? -5.750  -25.227 4.882   1.00 36.48 ? 452 HOH A O   1 
HETATM 3846 O O   . HOH I 3 .   ? 0.648   -25.989 0.128   1.00 44.34 ? 453 HOH A O   1 
HETATM 3847 O O   . HOH I 3 .   ? -1.393  -21.953 -0.181  1.00 42.42 ? 454 HOH A O   1 
HETATM 3848 O O   . HOH I 3 .   ? 2.900   12.770  -3.222  1.00 40.20 ? 455 HOH A O   1 
HETATM 3849 O O   . HOH I 3 .   ? -9.057  -1.533  11.635  1.00 41.87 ? 456 HOH A O   1 
HETATM 3850 O O   . HOH I 3 .   ? 9.721   -20.981 -6.660  1.00 53.21 ? 457 HOH A O   1 
HETATM 3851 O O   . HOH I 3 .   ? 24.140  -15.172 16.809  1.00 42.33 ? 458 HOH A O   1 
HETATM 3852 O O   . HOH I 3 .   ? 1.813   16.643  4.432   1.00 44.98 ? 459 HOH A O   1 
HETATM 3853 O O   . HOH I 3 .   ? -4.974  15.518  0.186   1.00 43.57 ? 460 HOH A O   1 
HETATM 3854 O O   . HOH I 3 .   ? -10.194 -17.279 19.636  1.00 44.06 ? 461 HOH A O   1 
HETATM 3855 O O   . HOH I 3 .   ? 4.720   -22.962 31.834  1.00 53.55 ? 462 HOH A O   1 
HETATM 3856 O O   . HOH I 3 .   ? 6.971   -28.251 1.336   1.00 45.10 ? 463 HOH A O   1 
HETATM 3857 O O   . HOH I 3 .   ? 13.931  -26.302 16.862  1.00 42.85 ? 464 HOH A O   1 
HETATM 3858 O O   . HOH I 3 .   ? 6.438   -22.895 -1.774  1.00 36.09 ? 465 HOH A O   1 
HETATM 3859 O O   . HOH I 3 .   ? 0.266   -14.974 24.740  1.00 54.04 ? 466 HOH A O   1 
HETATM 3860 O O   . HOH I 3 .   ? 16.707  -24.955 14.866  1.00 34.28 ? 467 HOH A O   1 
HETATM 3861 O O   . HOH I 3 .   ? 16.612  -26.568 10.131  1.00 44.72 ? 468 HOH A O   1 
HETATM 3862 O O   . HOH I 3 .   ? -3.556  -27.371 6.815   1.00 47.88 ? 469 HOH A O   1 
HETATM 3863 O O   . HOH I 3 .   ? 8.406   -29.336 9.624   1.00 46.54 ? 470 HOH A O   1 
HETATM 3864 O O   . HOH I 3 .   ? 9.459   -18.543 -4.148  1.00 41.92 ? 471 HOH A O   1 
HETATM 3865 O O   . HOH I 3 .   ? -4.871  4.029   11.857  1.00 26.58 ? 472 HOH A O   1 
HETATM 3866 O O   . HOH I 3 .   ? 14.887  -26.071 12.916  1.00 37.70 ? 473 HOH A O   1 
HETATM 3867 O O   . HOH I 3 .   ? -4.047  12.367  14.250  1.00 45.66 ? 474 HOH A O   1 
HETATM 3868 O O   . HOH I 3 .   ? -7.915  -24.292 10.735  1.00 36.73 ? 475 HOH A O   1 
HETATM 3869 O O   . HOH I 3 .   ? 4.385   -24.385 -2.801  1.00 37.93 ? 476 HOH A O   1 
HETATM 3870 O O   . HOH I 3 .   ? -6.342  -26.509 7.319   1.00 43.72 ? 477 HOH A O   1 
HETATM 3871 O O   . HOH I 3 .   ? -0.287  -28.943 15.841  1.00 41.09 ? 478 HOH A O   1 
HETATM 3872 O O   . HOH I 3 .   ? 23.734  -26.477 9.823   1.00 48.18 ? 479 HOH A O   1 
HETATM 3873 O O   . HOH I 3 .   ? 1.444   -21.295 -3.346  1.00 47.68 ? 480 HOH A O   1 
HETATM 3874 O O   . HOH I 3 .   ? -1.481  14.876  -2.820  1.00 46.97 ? 481 HOH A O   1 
HETATM 3875 O O   . HOH I 3 .   ? 12.442  -18.593 -5.596  1.00 39.13 ? 482 HOH A O   1 
HETATM 3876 O O   . HOH I 3 .   ? 11.786  -28.655 6.775   1.00 47.98 ? 483 HOH A O   1 
HETATM 3877 O O   . HOH I 3 .   ? 5.850   -29.386 2.921   1.00 42.12 ? 484 HOH A O   1 
HETATM 3878 O O   . HOH I 3 .   ? -1.549  -18.701 -2.394  1.00 43.10 ? 485 HOH A O   1 
HETATM 3879 O O   . HOH I 3 .   ? -3.506  -9.904  24.074  1.00 46.67 ? 486 HOH A O   1 
HETATM 3880 O O   . HOH I 3 .   ? 0.663   -28.883 6.750   1.00 46.06 ? 487 HOH A O   1 
HETATM 3881 O O   . HOH I 3 .   ? -4.967  7.963   13.313  1.00 39.10 ? 488 HOH A O   1 
HETATM 3882 O O   . HOH I 3 .   ? -5.269  -18.949 -0.835  1.00 38.49 ? 489 HOH A O   1 
HETATM 3883 O O   . HOH I 3 .   ? -8.523  -19.412 0.630   1.00 36.11 ? 490 HOH A O   1 
HETATM 3884 O O   . HOH I 3 .   ? 0.428   -12.541 24.430  1.00 53.84 ? 491 HOH A O   1 
HETATM 3885 O O   . HOH I 3 .   ? -3.663  10.091  14.515  1.00 37.76 ? 492 HOH A O   1 
HETATM 3886 O O   . HOH I 3 .   ? 2.257   -18.819 -2.948  1.00 33.48 ? 493 HOH A O   1 
HETATM 3887 O O   . HOH I 3 .   ? 0.891   14.800  -3.156  1.00 38.59 ? 494 HOH A O   1 
HETATM 3888 O O   . HOH I 3 .   ? 6.432   -20.582 -3.645  1.00 39.68 ? 495 HOH A O   1 
HETATM 3889 O O   . HOH I 3 .   ? 2.322   16.628  -1.272  1.00 47.93 ? 496 HOH A O   1 
HETATM 3890 O O   . HOH I 3 .   ? -5.524  -21.691 -0.369  1.00 50.64 ? 497 HOH A O   1 
HETATM 3891 O O   . HOH I 3 .   ? 1.153   16.425  -4.834  1.00 52.73 ? 498 HOH A O   1 
HETATM 3892 O O   . HOH J 3 .   ? -3.742  6.381   37.372  1.00 39.33 ? 301 HOH B O   1 
HETATM 3893 O O   . HOH J 3 .   ? -6.667  3.243   38.297  1.00 41.53 ? 302 HOH B O   1 
HETATM 3894 O O   . HOH J 3 .   ? 14.263  -5.297  31.241  1.00 38.68 ? 303 HOH B O   1 
HETATM 3895 O O   . HOH J 3 .   ? 25.735  10.041  13.294  1.00 49.09 ? 304 HOH B O   1 
HETATM 3896 O O   . HOH J 3 .   ? 3.632   7.651   23.956  1.00 27.45 ? 305 HOH B O   1 
HETATM 3897 O O   . HOH J 3 .   ? 6.234   -4.095  19.943  1.00 30.57 ? 306 HOH B O   1 
HETATM 3898 O O   . HOH J 3 .   ? 3.975   -2.133  43.057  1.00 31.60 ? 307 HOH B O   1 
HETATM 3899 O O   . HOH J 3 .   ? 23.763  -0.505  34.431  1.00 48.92 ? 308 HOH B O   1 
HETATM 3900 O O   . HOH J 3 .   ? 22.666  5.595   39.640  1.00 37.96 ? 309 HOH B O   1 
HETATM 3901 O O   . HOH J 3 .   ? -0.925  -6.784  29.213  1.00 39.37 ? 310 HOH B O   1 
HETATM 3902 O O   . HOH J 3 .   ? -3.028  7.308   41.972  1.00 44.06 ? 311 HOH B O   1 
HETATM 3903 O O   . HOH J 3 .   ? 27.180  3.052   18.166  1.00 41.90 ? 312 HOH B O   1 
HETATM 3904 O O   . HOH J 3 .   ? -3.924  17.045  37.932  1.00 21.84 ? 313 HOH B O   1 
HETATM 3905 O O   . HOH J 3 .   ? 8.688   15.135  33.653  1.00 26.48 ? 314 HOH B O   1 
HETATM 3906 O O   . HOH J 3 .   ? 10.117  11.465  41.178  1.00 37.87 ? 315 HOH B O   1 
HETATM 3907 O O   . HOH J 3 .   ? -0.504  -5.545  38.490  1.00 25.70 ? 316 HOH B O   1 
HETATM 3908 O O   . HOH J 3 .   ? 5.119   17.632  38.636  1.00 34.86 ? 317 HOH B O   1 
HETATM 3909 O O   . HOH J 3 .   ? 0.726   10.482  42.765  1.00 34.10 ? 318 HOH B O   1 
HETATM 3910 O O   . HOH J 3 .   ? 12.670  -5.497  27.034  1.00 28.48 ? 319 HOH B O   1 
HETATM 3911 O O   . HOH J 3 .   ? 0.696   2.294   40.888  1.00 28.95 ? 320 HOH B O   1 
HETATM 3912 O O   . HOH J 3 .   ? 4.620   -6.895  26.035  1.00 36.24 ? 321 HOH B O   1 
HETATM 3913 O O   . HOH J 3 .   ? 12.936  12.362  36.719  1.00 30.53 ? 322 HOH B O   1 
HETATM 3914 O O   . HOH J 3 .   ? 17.744  1.008   12.884  1.00 29.40 ? 323 HOH B O   1 
HETATM 3915 O O   . HOH J 3 .   ? -3.285  12.869  37.940  1.00 32.82 ? 324 HOH B O   1 
HETATM 3916 O O   . HOH J 3 .   ? 18.233  9.151   31.802  1.00 13.90 ? 325 HOH B O   1 
HETATM 3917 O O   . HOH J 3 .   ? 15.247  -4.448  38.686  1.00 41.03 ? 326 HOH B O   1 
HETATM 3918 O O   . HOH J 3 .   ? -0.743  5.017   42.834  1.00 37.13 ? 327 HOH B O   1 
HETATM 3919 O O   . HOH J 3 .   ? 28.078  12.143  35.378  1.00 52.12 ? 328 HOH B O   1 
HETATM 3920 O O   . HOH J 3 .   ? -5.346  8.733   27.679  1.00 14.36 ? 329 HOH B O   1 
HETATM 3921 O O   . HOH J 3 .   ? 6.343   13.544  38.591  1.00 21.09 ? 330 HOH B O   1 
HETATM 3922 O O   . HOH J 3 .   ? 32.115  3.011   33.127  1.00 50.42 ? 331 HOH B O   1 
HETATM 3923 O O   . HOH J 3 .   ? 24.680  2.148   30.807  1.00 23.64 ? 332 HOH B O   1 
HETATM 3924 O O   . HOH J 3 .   ? 14.850  10.632  39.077  1.00 35.78 ? 333 HOH B O   1 
HETATM 3925 O O   . HOH J 3 .   ? 29.116  2.622   25.648  1.00 31.20 ? 334 HOH B O   1 
HETATM 3926 O O   . HOH J 3 .   ? -4.936  7.057   34.905  1.00 20.42 ? 335 HOH B O   1 
HETATM 3927 O O   . HOH J 3 .   ? 22.392  0.341   24.509  1.00 26.07 ? 336 HOH B O   1 
HETATM 3928 O O   . HOH J 3 .   ? -1.348  15.668  30.542  1.00 18.22 ? 337 HOH B O   1 
HETATM 3929 O O   . HOH J 3 .   ? 15.539  6.202   15.817  1.00 19.54 ? 338 HOH B O   1 
HETATM 3930 O O   . HOH J 3 .   ? 23.617  7.302   26.953  1.00 16.37 ? 339 HOH B O   1 
HETATM 3931 O O   . HOH J 3 .   ? -10.187 11.836  34.034  1.00 42.97 ? 340 HOH B O   1 
HETATM 3932 O O   . HOH J 3 .   ? 23.133  -2.361  15.128  1.00 32.34 ? 341 HOH B O   1 
HETATM 3933 O O   . HOH J 3 .   ? 13.852  5.793   42.971  1.00 44.10 ? 342 HOH B O   1 
HETATM 3934 O O   . HOH J 3 .   ? 30.420  1.092   8.993   1.00 56.27 ? 343 HOH B O   1 
HETATM 3935 O O   . HOH J 3 .   ? -4.915  -4.360  33.328  1.00 39.24 ? 344 HOH B O   1 
HETATM 3936 O O   . HOH J 3 .   ? 20.263  0.593   19.749  1.00 16.72 ? 345 HOH B O   1 
HETATM 3937 O O   . HOH J 3 .   ? -14.780 10.227  29.962  1.00 54.73 ? 346 HOH B O   1 
HETATM 3938 O O   . HOH J 3 .   ? 31.519  4.361   10.806  1.00 42.42 ? 347 HOH B O   1 
HETATM 3939 O O   . HOH J 3 .   ? -4.602  -8.738  41.910  1.00 46.44 ? 348 HOH B O   1 
HETATM 3940 O O   . HOH J 3 .   ? -7.535  4.820   32.110  1.00 24.13 ? 349 HOH B O   1 
HETATM 3941 O O   . HOH J 3 .   ? -11.267 4.637   31.300  1.00 25.38 ? 350 HOH B O   1 
HETATM 3942 O O   . HOH J 3 .   ? 23.291  4.349   7.472   1.00 27.02 ? 351 HOH B O   1 
HETATM 3943 O O   . HOH J 3 .   ? 3.267   -4.434  25.389  1.00 36.16 ? 352 HOH B O   1 
HETATM 3944 O O   . HOH J 3 .   ? 7.354   6.292   42.991  1.00 34.01 ? 353 HOH B O   1 
HETATM 3945 O O   . HOH J 3 .   ? 20.783  8.506   35.138  1.00 17.48 ? 354 HOH B O   1 
HETATM 3946 O O   . HOH J 3 .   ? -1.001  10.769  40.478  1.00 36.29 ? 355 HOH B O   1 
HETATM 3947 O O   . HOH J 3 .   ? -5.139  14.896  37.152  1.00 31.30 ? 356 HOH B O   1 
HETATM 3948 O O   . HOH J 3 .   ? -8.094  7.899   27.887  1.00 20.09 ? 357 HOH B O   1 
HETATM 3949 O O   . HOH J 3 .   ? 5.157   -7.910  33.717  1.00 34.13 ? 358 HOH B O   1 
HETATM 3950 O O   . HOH J 3 .   ? 9.271   8.537   41.789  1.00 39.25 ? 359 HOH B O   1 
HETATM 3951 O O   . HOH J 3 .   ? 14.270  2.132   39.536  1.00 45.19 ? 360 HOH B O   1 
HETATM 3952 O O   . HOH J 3 .   ? 2.642   0.326   41.220  1.00 32.75 ? 361 HOH B O   1 
HETATM 3953 O O   . HOH J 3 .   ? -3.407  -2.096  26.546  1.00 29.40 ? 362 HOH B O   1 
HETATM 3954 O O   . HOH J 3 .   ? 19.431  7.147   13.624  1.00 26.85 ? 363 HOH B O   1 
HETATM 3955 O O   . HOH J 3 .   ? 21.239  -0.716  17.502  1.00 22.49 ? 364 HOH B O   1 
HETATM 3956 O O   . HOH J 3 .   ? -7.563  2.246   33.115  1.00 30.05 ? 365 HOH B O   1 
HETATM 3957 O O   . HOH J 3 .   ? 26.198  3.540   21.379  1.00 30.32 ? 366 HOH B O   1 
HETATM 3958 O O   . HOH J 3 .   ? 6.864   17.295  32.821  1.00 28.33 ? 367 HOH B O   1 
HETATM 3959 O O   . HOH J 3 .   ? 24.809  2.920   5.606   1.00 37.45 ? 368 HOH B O   1 
HETATM 3960 O O   . HOH J 3 .   ? -4.360  9.928   34.624  1.00 23.29 ? 369 HOH B O   1 
HETATM 3961 O O   . HOH J 3 .   ? -17.919 7.998   32.911  1.00 27.92 ? 370 HOH B O   1 
HETATM 3962 O O   . HOH J 3 .   ? 21.047  10.090  31.898  1.00 22.42 ? 371 HOH B O   1 
HETATM 3963 O O   . HOH J 3 .   ? 19.648  -1.110  34.323  1.00 44.95 ? 372 HOH B O   1 
HETATM 3964 O O   . HOH J 3 .   ? -1.023  7.855   40.315  1.00 28.73 ? 373 HOH B O   1 
HETATM 3965 O O   . HOH J 3 .   ? 0.278   17.057  28.768  1.00 20.74 ? 374 HOH B O   1 
HETATM 3966 O O   . HOH J 3 .   ? 28.100  6.433   20.500  1.00 21.34 ? 375 HOH B O   1 
HETATM 3967 O O   . HOH J 3 .   ? 29.505  2.058   30.107  1.00 27.16 ? 376 HOH B O   1 
HETATM 3968 O O   . HOH J 3 .   ? 29.017  10.260  10.862  1.00 42.60 ? 377 HOH B O   1 
HETATM 3969 O O   . HOH J 3 .   ? -11.430 13.657  30.249  1.00 34.82 ? 378 HOH B O   1 
HETATM 3970 O O   . HOH J 3 .   ? -12.349 7.943   24.940  1.00 28.69 ? 379 HOH B O   1 
HETATM 3971 O O   . HOH J 3 .   ? 1.148   -0.546  24.092  1.00 26.55 ? 380 HOH B O   1 
HETATM 3972 O O   . HOH J 3 .   ? 23.727  9.743   11.818  1.00 42.10 ? 381 HOH B O   1 
HETATM 3973 O O   . HOH J 3 .   ? 24.149  7.783   38.996  1.00 30.15 ? 382 HOH B O   1 
HETATM 3974 O O   . HOH J 3 .   ? 20.635  8.954   9.293   1.00 41.49 ? 383 HOH B O   1 
HETATM 3975 O O   . HOH J 3 .   ? 2.000   16.455  41.933  1.00 27.90 ? 384 HOH B O   1 
HETATM 3976 O O   . HOH J 3 .   ? 28.733  3.803   14.726  1.00 25.50 ? 385 HOH B O   1 
HETATM 3977 O O   . HOH J 3 .   ? 10.520  -6.994  23.080  1.00 21.69 ? 386 HOH B O   1 
HETATM 3978 O O   . HOH J 3 .   ? 24.842  0.913   14.527  1.00 32.62 ? 387 HOH B O   1 
HETATM 3979 O O   . HOH J 3 .   ? 26.873  -0.427  8.203   1.00 45.47 ? 388 HOH B O   1 
HETATM 3980 O O   . HOH J 3 .   ? 24.690  10.660  35.636  1.00 43.53 ? 389 HOH B O   1 
HETATM 3981 O O   . HOH J 3 .   ? 24.743  0.965   22.372  1.00 59.71 ? 390 HOH B O   1 
HETATM 3982 O O   . HOH J 3 .   ? 29.939  7.628   8.713   1.00 34.03 ? 391 HOH B O   1 
HETATM 3983 O O   . HOH J 3 .   ? 17.558  4.023   11.382  1.00 43.53 ? 392 HOH B O   1 
HETATM 3984 O O   . HOH J 3 .   ? 4.013   20.452  33.303  1.00 39.89 ? 393 HOH B O   1 
HETATM 3985 O O   . HOH J 3 .   ? -1.193  18.149  31.949  1.00 25.99 ? 394 HOH B O   1 
HETATM 3986 O O   . HOH J 3 .   ? 10.534  -10.092 26.776  1.00 38.35 ? 395 HOH B O   1 
HETATM 3987 O O   . HOH J 3 .   ? 1.561   21.212  32.550  1.00 26.10 ? 396 HOH B O   1 
HETATM 3988 O O   . HOH J 3 .   ? -3.071  -4.266  40.504  1.00 36.80 ? 397 HOH B O   1 
HETATM 3989 O O   . HOH J 3 .   ? -5.681  11.284  36.402  1.00 38.05 ? 398 HOH B O   1 
HETATM 3990 O O   . HOH J 3 .   ? -4.324  -7.541  32.960  1.00 47.50 ? 399 HOH B O   1 
HETATM 3991 O O   . HOH J 3 .   ? -4.001  -4.892  30.376  1.00 34.43 ? 400 HOH B O   1 
HETATM 3992 O O   . HOH J 3 .   ? 7.888   -11.482 21.750  1.00 34.15 ? 401 HOH B O   1 
HETATM 3993 O O   . HOH J 3 .   ? 21.486  -0.799  22.012  1.00 27.25 ? 402 HOH B O   1 
HETATM 3994 O O   . HOH J 3 .   ? 11.583  -7.125  25.450  1.00 43.58 ? 403 HOH B O   1 
HETATM 3995 O O   . HOH J 3 .   ? 0.062   20.248  30.400  1.00 26.08 ? 404 HOH B O   1 
HETATM 3996 O O   . HOH J 3 .   ? 28.438  2.659   22.795  1.00 30.46 ? 405 HOH B O   1 
HETATM 3997 O O   . HOH J 3 .   ? 23.631  0.759   16.965  1.00 26.15 ? 406 HOH B O   1 
HETATM 3998 O O   . HOH J 3 .   ? 20.715  5.013   7.197   1.00 47.89 ? 407 HOH B O   1 
HETATM 3999 O O   . HOH J 3 .   ? -9.259  6.260   33.843  1.00 37.35 ? 408 HOH B O   1 
HETATM 4000 O O   . HOH J 3 .   ? 2.625   19.248  39.692  1.00 41.45 ? 409 HOH B O   1 
HETATM 4001 O O   . HOH J 3 .   ? 10.345  16.300  35.102  1.00 39.55 ? 410 HOH B O   1 
HETATM 4002 O O   . HOH J 3 .   ? -15.022 -0.718  28.357  1.00 50.49 ? 411 HOH B O   1 
HETATM 4003 O O   . HOH J 3 .   ? -3.017  8.978   37.936  1.00 54.26 ? 412 HOH B O   1 
HETATM 4004 O O   . HOH J 3 .   ? 26.832  0.838   29.691  1.00 29.50 ? 413 HOH B O   1 
HETATM 4005 O O   . HOH J 3 .   ? -17.578 9.265   30.807  1.00 46.08 ? 414 HOH B O   1 
HETATM 4006 O O   . HOH J 3 .   ? 21.252  8.226   37.865  1.00 37.23 ? 415 HOH B O   1 
HETATM 4007 O O   . HOH J 3 .   ? 19.298  6.400   9.398   1.00 48.71 ? 416 HOH B O   1 
HETATM 4008 O O   . HOH J 3 .   ? 4.815   -11.591 24.107  1.00 37.51 ? 417 HOH B O   1 
HETATM 4009 O O   . HOH J 3 .   ? 25.702  0.688   18.839  1.00 43.44 ? 418 HOH B O   1 
HETATM 4010 O O   . HOH J 3 .   ? 19.003  7.444   39.157  1.00 33.59 ? 419 HOH B O   1 
HETATM 4011 O O   . HOH J 3 .   ? 12.559  11.445  40.872  1.00 38.00 ? 420 HOH B O   1 
HETATM 4012 O O   . HOH J 3 .   ? 32.082  6.285   9.468   1.00 47.27 ? 421 HOH B O   1 
HETATM 4013 O O   . HOH J 3 .   ? 2.139   -8.793  25.466  1.00 41.65 ? 422 HOH B O   1 
HETATM 4014 O O   . HOH J 3 .   ? 27.178  1.817   15.716  1.00 36.08 ? 423 HOH B O   1 
HETATM 4015 O O   . HOH J 3 .   ? -2.481  14.234  40.810  1.00 49.60 ? 424 HOH B O   1 
HETATM 4016 O O   . HOH J 3 .   ? 26.250  -1.009  27.322  1.00 49.37 ? 425 HOH B O   1 
HETATM 4017 O O   . HOH J 3 .   ? 7.340   16.234  38.741  1.00 35.53 ? 426 HOH B O   1 
HETATM 4018 O O   . HOH J 3 .   ? 9.175   16.126  40.841  1.00 44.00 ? 427 HOH B O   1 
HETATM 4019 O O   . HOH J 3 .   ? 12.927  8.589   42.113  1.00 55.47 ? 428 HOH B O   1 
HETATM 4020 O O   . HOH J 3 .   ? 16.176  7.063   43.380  1.00 49.91 ? 429 HOH B O   1 
HETATM 4021 O O   . HOH J 3 .   ? -7.394  6.886   35.946  1.00 36.55 ? 430 HOH B O   1 
HETATM 4022 O O   . HOH J 3 .   ? 3.544   14.443  42.654  1.00 38.21 ? 431 HOH B O   1 
HETATM 4023 O O   . HOH J 3 .   ? 5.678   14.560  41.434  1.00 35.62 ? 432 HOH B O   1 
HETATM 4024 O O   . HOH J 3 .   ? -13.870 12.469  29.694  1.00 40.33 ? 433 HOH B O   1 
HETATM 4025 O O   . HOH J 3 .   ? 12.337  15.610  36.401  1.00 32.21 ? 434 HOH B O   1 
HETATM 4026 O O   . HOH J 3 .   ? 22.011  -3.384  17.767  1.00 27.09 ? 435 HOH B O   1 
HETATM 4027 O O   . HOH J 3 .   ? 5.897   22.023  32.730  1.00 36.04 ? 436 HOH B O   1 
HETATM 4028 O O   . HOH J 3 .   ? -3.983  16.121  40.523  1.00 39.38 ? 437 HOH B O   1 
HETATM 4029 O O   . HOH J 3 .   ? 31.098  0.749   31.713  1.00 35.19 ? 438 HOH B O   1 
HETATM 4030 O O   . HOH J 3 .   ? 21.810  -4.744  28.382  1.00 46.77 ? 439 HOH B O   1 
HETATM 4031 O O   . HOH J 3 .   ? 8.595   17.693  36.853  1.00 29.87 ? 440 HOH B O   1 
HETATM 4032 O O   . HOH J 3 .   ? 0.983   17.332  43.962  1.00 44.67 ? 441 HOH B O   1 
HETATM 4033 O O   . HOH J 3 .   ? 12.794  14.051  41.273  1.00 56.92 ? 442 HOH B O   1 
HETATM 4034 O O   . HOH J 3 .   ? 22.997  -5.177  13.841  1.00 55.58 ? 443 HOH B O   1 
HETATM 4035 O O   . HOH J 3 .   ? 18.793  11.944  39.843  1.00 48.32 ? 444 HOH B O   1 
HETATM 4036 O O   . HOH J 3 .   ? 10.477  19.368  37.826  1.00 31.88 ? 445 HOH B O   1 
HETATM 4037 O O   . HOH K 3 .   ? 23.873  17.145  10.381  1.00 51.60 ? 301 HOH C O   1 
HETATM 4038 O O   . HOH K 3 .   ? 26.059  18.220  31.683  1.00 39.37 ? 302 HOH C O   1 
HETATM 4039 O O   . HOH K 3 .   ? 26.068  19.402  8.031   1.00 57.83 ? 303 HOH C O   1 
HETATM 4040 O O   . HOH K 3 .   ? -3.437  -4.835  25.783  1.00 41.86 ? 304 HOH C O   1 
HETATM 4041 O O   . HOH K 3 .   ? 9.103   23.514  1.708   1.00 49.61 ? 305 HOH C O   1 
HETATM 4042 O O   . HOH K 3 .   ? 22.455  24.893  21.319  1.00 37.40 ? 306 HOH C O   1 
HETATM 4043 O O   . HOH K 3 .   ? 21.585  24.753  26.667  1.00 53.27 ? 307 HOH C O   1 
HETATM 4044 O O   . HOH K 3 .   ? 15.479  7.142   22.680  1.00 28.77 ? 308 HOH C O   1 
HETATM 4045 O O   . HOH K 3 .   ? 5.803   26.690  19.059  1.00 36.88 ? 309 HOH C O   1 
HETATM 4046 O O   . HOH K 3 .   ? -0.984  17.025  14.155  1.00 42.95 ? 310 HOH C O   1 
HETATM 4047 O O   . HOH K 3 .   ? 20.033  22.432  10.857  1.00 31.50 ? 311 HOH C O   1 
HETATM 4048 O O   . HOH K 3 .   ? -0.677  25.875  24.737  1.00 34.56 ? 312 HOH C O   1 
HETATM 4049 O O   . HOH K 3 .   ? 2.798   16.680  27.384  1.00 14.28 ? 313 HOH C O   1 
HETATM 4050 O O   . HOH K 3 .   ? -11.275 -1.770  13.351  1.00 54.75 ? 314 HOH C O   1 
HETATM 4051 O O   . HOH K 3 .   ? 5.009   24.586  13.839  1.00 42.00 ? 315 HOH C O   1 
HETATM 4052 O O   . HOH K 3 .   ? 11.733  29.688  18.988  1.00 33.38 ? 316 HOH C O   1 
HETATM 4053 O O   . HOH K 3 .   ? -7.554  19.683  28.088  1.00 38.71 ? 317 HOH C O   1 
HETATM 4054 O O   . HOH K 3 .   ? 24.535  15.133  33.430  1.00 43.60 ? 318 HOH C O   1 
HETATM 4055 O O   . HOH K 3 .   ? 37.306  8.811   21.155  1.00 37.28 ? 319 HOH C O   1 
HETATM 4056 O O   . HOH K 3 .   ? -4.610  17.475  21.512  1.00 25.07 ? 320 HOH C O   1 
HETATM 4057 O O   . HOH K 3 .   ? 27.404  13.550  19.169  1.00 22.74 ? 321 HOH C O   1 
HETATM 4058 O O   . HOH K 3 .   ? 13.428  16.455  31.781  1.00 27.69 ? 322 HOH C O   1 
HETATM 4059 O O   . HOH K 3 .   ? 22.697  11.768  30.316  1.00 19.86 ? 323 HOH C O   1 
HETATM 4060 O O   . HOH K 3 .   ? 8.771   27.127  24.343  1.00 34.25 ? 324 HOH C O   1 
HETATM 4061 O O   . HOH K 3 .   ? 10.237  11.379  27.889  1.00 13.84 ? 325 HOH C O   1 
HETATM 4062 O O   . HOH K 3 .   ? 31.713  13.579  25.701  1.00 30.75 ? 326 HOH C O   1 
HETATM 4063 O O   . HOH K 3 .   ? 15.717  17.120  35.531  1.00 46.76 ? 327 HOH C O   1 
HETATM 4064 O O   . HOH K 3 .   ? 5.342   12.822  11.423  1.00 27.48 ? 328 HOH C O   1 
HETATM 4065 O O   . HOH K 3 .   ? 27.719  12.457  14.348  1.00 43.83 ? 329 HOH C O   1 
HETATM 4066 O O   . HOH K 3 .   ? 30.964  11.969  18.485  1.00 26.12 ? 330 HOH C O   1 
HETATM 4067 O O   . HOH K 3 .   ? -7.709  7.773   22.995  1.00 27.10 ? 331 HOH C O   1 
HETATM 4068 O O   . HOH K 3 .   ? -1.088  -0.693  17.191  1.00 25.68 ? 332 HOH C O   1 
HETATM 4069 O O   . HOH K 3 .   ? 24.943  9.118   22.685  1.00 17.49 ? 333 HOH C O   1 
HETATM 4070 O O   . HOH K 3 .   ? 16.137  27.362  14.510  1.00 26.19 ? 334 HOH C O   1 
HETATM 4071 O O   . HOH K 3 .   ? 10.174  18.722  4.395   1.00 51.24 ? 335 HOH C O   1 
HETATM 4072 O O   . HOH K 3 .   ? 9.054   20.733  29.913  1.00 33.74 ? 336 HOH C O   1 
HETATM 4073 O O   . HOH K 3 .   ? 9.449   29.553  14.860  1.00 36.01 ? 337 HOH C O   1 
HETATM 4074 O O   . HOH K 3 .   ? 7.595   23.364  28.804  1.00 35.60 ? 338 HOH C O   1 
HETATM 4075 O O   . HOH K 3 .   ? 25.455  18.954  28.419  1.00 42.99 ? 339 HOH C O   1 
HETATM 4076 O O   . HOH K 3 .   ? -14.122 -1.957  22.896  1.00 42.98 ? 340 HOH C O   1 
HETATM 4077 O O   . HOH K 3 .   ? 14.075  29.402  14.634  1.00 36.36 ? 341 HOH C O   1 
HETATM 4078 O O   . HOH K 3 .   ? 14.973  28.251  21.068  1.00 29.30 ? 342 HOH C O   1 
HETATM 4079 O O   . HOH K 3 .   ? -2.472  6.334   18.077  1.00 15.18 ? 343 HOH C O   1 
HETATM 4080 O O   . HOH K 3 .   ? 7.133   27.983  14.409  1.00 28.74 ? 344 HOH C O   1 
HETATM 4081 O O   . HOH K 3 .   ? 31.492  14.194  21.471  1.00 31.98 ? 345 HOH C O   1 
HETATM 4082 O O   . HOH K 3 .   ? -10.864 -3.859  17.251  1.00 36.33 ? 346 HOH C O   1 
HETATM 4083 O O   . HOH K 3 .   ? 17.809  12.359  7.911   1.00 41.33 ? 347 HOH C O   1 
HETATM 4084 O O   . HOH K 3 .   ? 30.391  4.425   16.677  1.00 38.90 ? 348 HOH C O   1 
HETATM 4085 O O   . HOH K 3 .   ? -6.095  9.441   19.933  1.00 31.15 ? 349 HOH C O   1 
HETATM 4086 O O   . HOH K 3 .   ? 12.914  24.609  28.580  1.00 37.26 ? 350 HOH C O   1 
HETATM 4087 O O   . HOH K 3 .   ? 30.901  10.861  12.103  1.00 42.64 ? 351 HOH C O   1 
HETATM 4088 O O   . HOH K 3 .   ? 6.921   24.618  20.480  1.00 25.88 ? 352 HOH C O   1 
HETATM 4089 O O   . HOH K 3 .   ? 25.643  16.482  22.012  1.00 24.39 ? 353 HOH C O   1 
HETATM 4090 O O   . HOH K 3 .   ? 29.975  16.302  28.669  1.00 56.52 ? 354 HOH C O   1 
HETATM 4091 O O   . HOH K 3 .   ? -3.497  13.054  26.081  1.00 16.49 ? 355 HOH C O   1 
HETATM 4092 O O   . HOH K 3 .   ? 2.370   1.038   22.452  1.00 16.18 ? 356 HOH C O   1 
HETATM 4093 O O   . HOH K 3 .   ? -3.662  11.329  18.685  1.00 28.48 ? 357 HOH C O   1 
HETATM 4094 O O   . HOH K 3 .   ? -6.410  2.703   15.112  1.00 37.63 ? 358 HOH C O   1 
HETATM 4095 O O   . HOH K 3 .   ? 27.619  8.912   21.438  1.00 20.59 ? 359 HOH C O   1 
HETATM 4096 O O   . HOH K 3 .   ? 14.402  10.104  10.958  1.00 23.39 ? 360 HOH C O   1 
HETATM 4097 O O   . HOH K 3 .   ? 0.811   20.417  27.605  1.00 20.40 ? 361 HOH C O   1 
HETATM 4098 O O   . HOH K 3 .   ? -11.052 15.701  24.786  1.00 37.30 ? 362 HOH C O   1 
HETATM 4099 O O   . HOH K 3 .   ? -1.551  -0.571  23.728  1.00 25.28 ? 363 HOH C O   1 
HETATM 4100 O O   . HOH K 3 .   ? -6.560  -5.790  21.178  1.00 22.79 ? 364 HOH C O   1 
HETATM 4101 O O   . HOH K 3 .   ? 25.373  15.875  24.733  1.00 21.32 ? 365 HOH C O   1 
HETATM 4102 O O   . HOH K 3 .   ? 13.171  18.527  8.460   1.00 35.85 ? 366 HOH C O   1 
HETATM 4103 O O   . HOH K 3 .   ? 16.854  7.866   14.275  1.00 25.79 ? 367 HOH C O   1 
HETATM 4104 O O   . HOH K 3 .   ? 31.766  9.839   27.426  1.00 38.83 ? 368 HOH C O   1 
HETATM 4105 O O   . HOH K 3 .   ? 15.554  26.575  23.336  1.00 24.64 ? 369 HOH C O   1 
HETATM 4106 O O   . HOH K 3 .   ? -3.871  4.349   16.686  1.00 19.18 ? 370 HOH C O   1 
HETATM 4107 O O   A HOH K 3 .   ? 15.086  14.839  33.438  1.00 25.98 ? 371 HOH C O   1 
HETATM 4108 O O   . HOH K 3 .   ? 21.129  9.381   12.290  1.00 33.95 ? 372 HOH C O   1 
HETATM 4109 O O   . HOH K 3 .   ? 8.735   11.051  7.327   1.00 35.74 ? 373 HOH C O   1 
HETATM 4110 O O   . HOH K 3 .   ? 16.711  22.100  6.469   1.00 46.04 ? 374 HOH C O   1 
HETATM 4111 O O   . HOH K 3 .   ? 38.539  11.851  20.086  1.00 34.53 ? 375 HOH C O   1 
HETATM 4112 O O   . HOH K 3 .   ? -9.715  18.034  22.348  1.00 39.81 ? 376 HOH C O   1 
HETATM 4113 O O   . HOH K 3 .   ? -6.064  -0.836  26.643  1.00 32.02 ? 377 HOH C O   1 
HETATM 4114 O O   . HOH K 3 .   ? -11.113 -2.305  28.148  1.00 45.14 ? 378 HOH C O   1 
HETATM 4115 O O   . HOH K 3 .   ? 17.787  27.562  17.642  1.00 31.50 ? 379 HOH C O   1 
HETATM 4116 O O   . HOH K 3 .   ? 16.221  28.004  27.276  1.00 40.91 ? 380 HOH C O   1 
HETATM 4117 O O   . HOH K 3 .   ? 16.314  21.095  30.256  1.00 22.09 ? 381 HOH C O   1 
HETATM 4118 O O   . HOH K 3 .   ? -8.728  -7.534  20.278  1.00 28.77 ? 382 HOH C O   1 
HETATM 4119 O O   . HOH K 3 .   ? 27.369  14.793  16.472  1.00 34.76 ? 383 HOH C O   1 
HETATM 4120 O O   . HOH K 3 .   ? 6.639   8.761   9.222   1.00 22.29 ? 384 HOH C O   1 
HETATM 4121 O O   . HOH K 3 .   ? 18.792  14.651  36.183  1.00 40.48 ? 385 HOH C O   1 
HETATM 4122 O O   . HOH K 3 .   ? -9.487  5.127   21.298  1.00 40.46 ? 386 HOH C O   1 
HETATM 4123 O O   . HOH K 3 .   ? 33.405  10.504  25.606  1.00 40.29 ? 387 HOH C O   1 
HETATM 4124 O O   . HOH K 3 .   ? -11.057 2.032   22.243  1.00 28.19 ? 388 HOH C O   1 
HETATM 4125 O O   . HOH K 3 .   ? 12.880  24.960  25.885  1.00 30.61 ? 389 HOH C O   1 
HETATM 4126 O O   . HOH K 3 .   ? -12.416 -4.206  25.656  1.00 31.06 ? 390 HOH C O   1 
HETATM 4127 O O   . HOH K 3 .   ? 7.000   28.063  11.767  1.00 51.33 ? 391 HOH C O   1 
HETATM 4128 O O   . HOH K 3 .   ? 21.791  12.898  9.220   1.00 48.04 ? 392 HOH C O   1 
HETATM 4129 O O   . HOH K 3 .   ? 6.898   12.997  6.670   1.00 33.05 ? 393 HOH C O   1 
HETATM 4130 O O   . HOH K 3 .   ? 13.372  28.981  8.626   1.00 37.62 ? 394 HOH C O   1 
HETATM 4131 O O   . HOH K 3 .   ? -2.121  25.071  27.365  1.00 29.82 ? 395 HOH C O   1 
HETATM 4132 O O   . HOH K 3 .   ? 23.547  22.405  16.790  1.00 40.37 ? 396 HOH C O   1 
HETATM 4133 O O   . HOH K 3 .   ? 20.725  24.543  28.821  1.00 47.85 ? 397 HOH C O   1 
HETATM 4134 O O   . HOH K 3 .   ? 22.680  21.991  24.038  1.00 33.30 ? 398 HOH C O   1 
HETATM 4135 O O   . HOH K 3 .   ? 34.644  7.697   22.137  1.00 33.19 ? 399 HOH C O   1 
HETATM 4136 O O   . HOH K 3 .   ? -3.509  21.447  18.749  1.00 44.30 ? 400 HOH C O   1 
HETATM 4137 O O   . HOH K 3 .   ? -7.891  -0.665  28.418  1.00 41.05 ? 401 HOH C O   1 
HETATM 4138 O O   . HOH K 3 .   ? 13.012  10.891  8.708   1.00 24.23 ? 402 HOH C O   1 
HETATM 4139 O O   . HOH K 3 .   ? -9.441  16.499  29.201  1.00 40.43 ? 403 HOH C O   1 
HETATM 4140 O O   . HOH K 3 .   ? 20.692  13.461  36.423  1.00 33.84 ? 404 HOH C O   1 
HETATM 4141 O O   . HOH K 3 .   ? 27.214  17.270  25.964  1.00 42.81 ? 405 HOH C O   1 
HETATM 4142 O O   . HOH K 3 .   ? 22.804  12.771  32.892  1.00 42.18 ? 406 HOH C O   1 
HETATM 4143 O O   . HOH K 3 .   ? -7.967  -5.223  29.840  1.00 47.97 ? 407 HOH C O   1 
HETATM 4144 O O   . HOH K 3 .   ? 14.541  17.641  6.299   1.00 44.66 ? 408 HOH C O   1 
HETATM 4145 O O   . HOH K 3 .   ? -6.890  16.977  19.867  1.00 46.61 ? 409 HOH C O   1 
HETATM 4146 O O   . HOH K 3 .   ? 6.381   29.308  21.415  1.00 46.54 ? 410 HOH C O   1 
HETATM 4147 O O   . HOH K 3 .   ? 7.433   9.272   6.508   1.00 47.51 ? 411 HOH C O   1 
HETATM 4148 O O   . HOH K 3 .   ? 18.639  28.613  11.248  1.00 48.13 ? 412 HOH C O   1 
HETATM 4149 O O   . HOH K 3 .   ? -2.192  -4.370  22.409  1.00 42.93 ? 413 HOH C O   1 
HETATM 4150 O O   . HOH K 3 .   ? 21.930  11.421  35.090  1.00 36.01 ? 414 HOH C O   1 
HETATM 4151 O O   . HOH K 3 .   ? 16.287  19.503  5.299   1.00 44.60 ? 415 HOH C O   1 
HETATM 4152 O O   . HOH K 3 .   ? -3.456  8.865   17.152  1.00 24.97 ? 416 HOH C O   1 
HETATM 4153 O O   . HOH K 3 .   ? -14.715 1.866   19.554  1.00 51.37 ? 417 HOH C O   1 
HETATM 4154 O O   . HOH K 3 .   ? -4.267  17.068  14.953  1.00 46.68 ? 418 HOH C O   1 
HETATM 4155 O O   . HOH K 3 .   ? 13.308  30.039  11.325  1.00 55.33 ? 419 HOH C O   1 
HETATM 4156 O O   . HOH K 3 .   ? 13.789  27.455  25.277  1.00 36.85 ? 420 HOH C O   1 
HETATM 4157 O O   . HOH K 3 .   ? -6.607  15.465  17.556  1.00 44.49 ? 421 HOH C O   1 
HETATM 4158 O O   . HOH K 3 .   ? 36.273  12.452  16.192  1.00 47.83 ? 422 HOH C O   1 
HETATM 4159 O O   . HOH K 3 .   ? -0.307  17.626  12.104  1.00 62.86 ? 423 HOH C O   1 
HETATM 4160 O O   . HOH K 3 .   ? 23.329  23.372  29.933  1.00 44.69 ? 424 HOH C O   1 
HETATM 4161 O O   . HOH K 3 .   ? 11.129  12.371  7.607   1.00 31.00 ? 425 HOH C O   1 
HETATM 4162 O O   . HOH K 3 .   ? 0.754   23.263  27.419  1.00 29.07 ? 426 HOH C O   1 
HETATM 4163 O O   . HOH K 3 .   ? 5.843   11.338  9.220   1.00 38.50 ? 427 HOH C O   1 
HETATM 4164 O O   . HOH K 3 .   ? -9.915  2.788   19.867  1.00 30.83 ? 428 HOH C O   1 
HETATM 4165 O O   . HOH K 3 .   ? 6.826   28.841  17.970  1.00 44.09 ? 429 HOH C O   1 
HETATM 4166 O O   . HOH K 3 .   ? 8.147   7.645   4.125   1.00 45.73 ? 430 HOH C O   1 
HETATM 4167 O O   . HOH K 3 .   ? -9.460  7.601   25.484  1.00 21.10 ? 431 HOH C O   1 
HETATM 4168 O O   . HOH K 3 .   ? -4.048  -6.403  21.849  1.00 38.80 ? 432 HOH C O   1 
HETATM 4169 O O   . HOH K 3 .   ? 6.866   5.633   5.785   1.00 43.61 ? 433 HOH C O   1 
HETATM 4170 O O   . HOH K 3 .   ? 14.164  23.113  33.146  1.00 44.88 ? 434 HOH C O   1 
HETATM 4171 O O   . HOH K 3 .   ? 23.941  19.674  25.105  1.00 56.29 ? 435 HOH C O   1 
HETATM 4172 O O   . HOH K 3 .   ? -15.200 0.741   22.023  1.00 44.89 ? 436 HOH C O   1 
HETATM 4173 O O   . HOH K 3 .   ? -6.375  4.358   18.571  1.00 33.16 ? 437 HOH C O   1 
HETATM 4174 O O   . HOH K 3 .   ? 12.019  18.236  33.558  1.00 36.62 ? 438 HOH C O   1 
HETATM 4175 O O   . HOH K 3 .   ? 5.710   23.137  6.363   1.00 47.91 ? 439 HOH C O   1 
HETATM 4176 O O   . HOH K 3 .   ? 3.084   24.292  26.307  1.00 36.75 ? 440 HOH C O   1 
HETATM 4177 O O   . HOH K 3 .   ? 9.502   31.483  13.337  1.00 51.11 ? 441 HOH C O   1 
HETATM 4178 O O   . HOH K 3 .   ? 0.903   15.311  12.569  1.00 52.28 ? 442 HOH C O   1 
HETATM 4179 O O   . HOH K 3 .   ? 10.547  24.566  29.600  1.00 45.42 ? 443 HOH C O   1 
HETATM 4180 O O   . HOH K 3 .   ? 30.173  4.504   20.904  1.00 44.72 ? 444 HOH C O   1 
HETATM 4181 O O   . HOH K 3 .   ? 31.675  15.309  23.682  1.00 45.98 ? 445 HOH C O   1 
HETATM 4182 O O   . HOH K 3 .   ? 28.704  17.511  17.398  1.00 49.93 ? 446 HOH C O   1 
HETATM 4183 O O   . HOH K 3 .   ? 17.283  29.322  19.996  1.00 45.49 ? 447 HOH C O   1 
HETATM 4184 O O   . HOH K 3 .   ? -12.006 -7.178  26.132  1.00 47.36 ? 448 HOH C O   1 
HETATM 4185 O O   . HOH K 3 .   ? 23.401  15.149  9.068   1.00 45.32 ? 449 HOH C O   1 
HETATM 4186 O O   . HOH K 3 .   ? -8.360  5.917   19.138  1.00 41.41 ? 450 HOH C O   1 
HETATM 4187 O O   . HOH K 3 .   ? 33.721  14.629  19.772  1.00 43.56 ? 451 HOH C O   1 
HETATM 4188 O O   . HOH K 3 .   ? 10.771  26.450  25.887  1.00 47.60 ? 452 HOH C O   1 
HETATM 4189 O O   . HOH K 3 .   ? 18.533  28.342  26.741  1.00 40.45 ? 453 HOH C O   1 
HETATM 4190 O O   . HOH K 3 .   ? 16.192  21.148  33.128  1.00 34.83 ? 454 HOH C O   1 
HETATM 4191 O O   . HOH K 3 .   ? 29.448  15.222  20.094  1.00 25.51 ? 455 HOH C O   1 
HETATM 4192 O O   . HOH K 3 .   ? -5.174  5.087   14.497  1.00 33.05 ? 456 HOH C O   1 
HETATM 4193 O O   . HOH K 3 .   ? 20.952  27.770  14.523  1.00 49.25 ? 457 HOH C O   1 
HETATM 4194 O O   . HOH K 3 .   ? 10.214  19.529  33.241  1.00 35.78 ? 458 HOH C O   1 
HETATM 4195 O O   . HOH K 3 .   ? 18.389  28.379  15.354  1.00 42.07 ? 459 HOH C O   1 
HETATM 4196 O O   . HOH K 3 .   ? 11.204  30.479  21.519  1.00 49.38 ? 460 HOH C O   1 
HETATM 4197 O O   . HOH K 3 .   ? 28.215  17.329  21.577  1.00 34.65 ? 461 HOH C O   1 
HETATM 4198 O O   . HOH K 3 .   ? 17.065  13.994  37.963  1.00 43.49 ? 462 HOH C O   1 
HETATM 4199 O O   . HOH K 3 .   ? 17.580  28.367  23.831  1.00 33.49 ? 463 HOH C O   1 
HETATM 4200 O O   . HOH K 3 .   ? -2.781  15.657  13.950  1.00 43.48 ? 464 HOH C O   1 
HETATM 4201 O O   . HOH K 3 .   ? -7.305  1.206   12.320  1.00 51.33 ? 465 HOH C O   1 
HETATM 4202 O O   . HOH K 3 .   ? 9.234   29.776  17.458  1.00 42.63 ? 466 HOH C O   1 
HETATM 4203 O O   . HOH K 3 .   ? 7.657   22.564  31.171  1.00 41.51 ? 467 HOH C O   1 
HETATM 4204 O O   . HOH K 3 .   ? 5.089   24.844  28.367  1.00 41.11 ? 468 HOH C O   1 
HETATM 4205 O O   . HOH K 3 .   ? 20.897  27.712  11.413  1.00 49.77 ? 469 HOH C O   1 
HETATM 4206 O O   . HOH K 3 .   ? 9.246   32.636  17.951  1.00 48.36 ? 470 HOH C O   1 
HETATM 4207 O O   . HOH L 3 .   ? 22.346  -4.379  -8.571  1.00 45.47 ? 301 HOH D O   1 
HETATM 4208 O O   . HOH L 3 .   ? 2.783   -3.929  4.657   1.00 27.55 ? 302 HOH D O   1 
HETATM 4209 O O   . HOH L 3 .   ? 21.299  -7.212  -11.180 1.00 48.58 ? 303 HOH D O   1 
HETATM 4210 O O   . HOH L 3 .   ? 1.583   10.513  -7.944  1.00 59.62 ? 304 HOH D O   1 
HETATM 4211 O O   . HOH L 3 .   ? -8.125  0.083   -8.634  1.00 37.00 ? 305 HOH D O   1 
HETATM 4212 O O   . HOH L 3 .   ? 8.980   0.646   -14.322 1.00 46.46 ? 306 HOH D O   1 
HETATM 4213 O O   . HOH L 3 .   ? -7.351  8.074   1.321   1.00 36.17 ? 307 HOH D O   1 
HETATM 4214 O O   . HOH L 3 .   ? 11.865  10.874  -12.082 1.00 50.42 ? 308 HOH D O   1 
HETATM 4215 O O   . HOH L 3 .   ? 14.032  1.401   -12.713 1.00 18.94 ? 309 HOH D O   1 
HETATM 4216 O O   . HOH L 3 .   ? 14.885  -14.657 0.993   1.00 16.81 ? 310 HOH D O   1 
HETATM 4217 O O   . HOH L 3 .   ? 10.576  4.547   10.449  1.00 36.58 ? 311 HOH D O   1 
HETATM 4218 O O   . HOH L 3 .   ? 20.883  -6.526  19.252  1.00 38.76 ? 312 HOH D O   1 
HETATM 4219 O O   . HOH L 3 .   ? 21.742  -13.721 17.187  1.00 39.35 ? 313 HOH D O   1 
HETATM 4220 O O   . HOH L 3 .   ? 12.457  -14.659 -6.671  1.00 40.07 ? 314 HOH D O   1 
HETATM 4221 O O   . HOH L 3 .   ? 6.526   -11.348 2.468   1.00 12.48 ? 315 HOH D O   1 
HETATM 4222 O O   . HOH L 3 .   ? 1.206   -13.867 -10.299 1.00 35.95 ? 316 HOH D O   1 
HETATM 4223 O O   . HOH L 3 .   ? 9.839   -12.775 -10.287 1.00 38.16 ? 317 HOH D O   1 
HETATM 4224 O O   . HOH L 3 .   ? 16.998  3.727   -13.437 1.00 22.15 ? 318 HOH D O   1 
HETATM 4225 O O   . HOH L 3 .   ? 5.026   -11.879 -9.128  1.00 23.78 ? 319 HOH D O   1 
HETATM 4226 O O   . HOH L 3 .   ? 9.229   9.735   -0.329  1.00 41.23 ? 320 HOH D O   1 
HETATM 4227 O O   . HOH L 3 .   ? 23.656  -12.822 4.265   1.00 27.10 ? 321 HOH D O   1 
HETATM 4228 O O   . HOH L 3 .   ? 0.885   4.100   -11.203 1.00 53.57 ? 322 HOH D O   1 
HETATM 4229 O O   . HOH L 3 .   ? 3.713   -6.598  -14.354 1.00 36.98 ? 323 HOH D O   1 
HETATM 4230 O O   . HOH L 3 .   ? 14.376  -5.986  19.646  1.00 27.44 ? 324 HOH D O   1 
HETATM 4231 O O   . HOH L 3 .   ? 9.928   5.712   4.452   1.00 33.94 ? 325 HOH D O   1 
HETATM 4232 O O   . HOH L 3 .   ? -3.873  -0.023  -1.255  1.00 15.64 ? 326 HOH D O   1 
HETATM 4233 O O   . HOH L 3 .   ? 31.561  -16.704 -3.363  1.00 36.03 ? 327 HOH D O   1 
HETATM 4234 O O   . HOH L 3 .   ? 21.211  -9.210  9.912   1.00 32.65 ? 328 HOH D O   1 
HETATM 4235 O O   . HOH L 3 .   ? -5.512  -10.271 -4.938  1.00 34.50 ? 329 HOH D O   1 
HETATM 4236 O O   . HOH L 3 .   ? 11.015  7.100   -9.604  1.00 21.67 ? 330 HOH D O   1 
HETATM 4237 O O   . HOH L 3 .   ? -5.321  2.354   -2.082  1.00 19.17 ? 331 HOH D O   1 
HETATM 4238 O O   . HOH L 3 .   ? -4.081  -8.193  -3.666  1.00 20.37 ? 332 HOH D O   1 
HETATM 4239 O O   . HOH L 3 .   ? 22.530  -15.225 -4.845  1.00 26.82 ? 333 HOH D O   1 
HETATM 4240 O O   . HOH L 3 .   ? 28.072  -6.208  -2.889  1.00 43.59 ? 334 HOH D O   1 
HETATM 4241 O O   . HOH L 3 .   ? -0.748  0.389   -7.976  1.00 23.03 ? 335 HOH D O   1 
HETATM 4242 O O   . HOH L 3 .   ? 25.754  -15.640 10.306  1.00 44.06 ? 336 HOH D O   1 
HETATM 4243 O O   . HOH L 3 .   ? 5.810   -1.173  -14.226 1.00 38.67 ? 337 HOH D O   1 
HETATM 4244 O O   . HOH L 3 .   ? -2.089  3.980   -5.882  1.00 26.45 ? 338 HOH D O   1 
HETATM 4245 O O   . HOH L 3 .   ? -5.306  6.183   -5.965  1.00 37.72 ? 339 HOH D O   1 
HETATM 4246 O O   . HOH L 3 .   ? 25.877  -20.505 11.201  1.00 48.63 ? 340 HOH D O   1 
HETATM 4247 O O   . HOH L 3 .   ? 18.381  -7.817  13.808  1.00 16.73 ? 341 HOH D O   1 
HETATM 4248 O O   . HOH L 3 .   ? 29.046  -12.220 -8.834  1.00 38.42 ? 342 HOH D O   1 
HETATM 4249 O O   . HOH L 3 .   ? 10.392  -9.279  15.840  1.00 18.56 ? 343 HOH D O   1 
HETATM 4250 O O   . HOH L 3 .   ? 22.539  -7.432  -0.529  1.00 45.65 ? 344 HOH D O   1 
HETATM 4251 O O   . HOH L 3 .   ? 2.806   -1.661  -14.380 1.00 46.24 ? 345 HOH D O   1 
HETATM 4252 O O   . HOH L 3 .   ? 12.665  6.703   4.199   1.00 32.52 ? 346 HOH D O   1 
HETATM 4253 O O   . HOH L 3 .   ? 20.543  -0.545  1.941   1.00 35.00 ? 347 HOH D O   1 
HETATM 4254 O O   . HOH L 3 .   ? 20.864  -1.453  -11.948 1.00 34.49 ? 348 HOH D O   1 
HETATM 4255 O O   . HOH L 3 .   ? 18.047  -16.129 -1.409  1.00 16.61 ? 349 HOH D O   1 
HETATM 4256 O O   . HOH L 3 .   ? 19.890  -20.063 -1.107  1.00 36.46 ? 350 HOH D O   1 
HETATM 4257 O O   . HOH L 3 .   ? 30.078  -17.294 3.493   1.00 28.48 ? 351 HOH D O   1 
HETATM 4258 O O   . HOH L 3 .   ? 10.006  -14.688 -5.228  1.00 32.39 ? 352 HOH D O   1 
HETATM 4259 O O   . HOH L 3 .   ? 1.699   -14.405 -3.713  1.00 21.00 ? 353 HOH D O   1 
HETATM 4260 O O   . HOH L 3 .   ? 13.986  -12.178 -9.879  1.00 42.92 ? 354 HOH D O   1 
HETATM 4261 O O   . HOH L 3 .   ? 5.807   9.914   -5.556  1.00 41.89 ? 355 HOH D O   1 
HETATM 4262 O O   . HOH L 3 .   ? 4.428   -13.866 -3.747  1.00 20.39 ? 356 HOH D O   1 
HETATM 4263 O O   . HOH L 3 .   ? 31.572  -12.854 -7.124  1.00 37.21 ? 357 HOH D O   1 
HETATM 4264 O O   B HOH L 3 .   ? 16.102  -14.380 -6.432  0.90 33.02 ? 358 HOH D O   1 
HETATM 4265 O O   . HOH L 3 .   ? 9.386   -17.499 -1.690  1.00 25.49 ? 359 HOH D O   1 
HETATM 4266 O O   . HOH L 3 .   ? 24.276  -20.205 2.906   1.00 26.79 ? 360 HOH D O   1 
HETATM 4267 O O   . HOH L 3 .   ? 18.767  -15.927 7.250   1.00 18.85 ? 361 HOH D O   1 
HETATM 4268 O O   . HOH L 3 .   ? -1.984  -2.066  -7.676  1.00 22.89 ? 362 HOH D O   1 
HETATM 4269 O O   . HOH L 3 .   ? 15.018  -11.422 26.068  1.00 27.49 ? 363 HOH D O   1 
HETATM 4270 O O   . HOH L 3 .   ? 5.643   3.912   4.644   1.00 25.98 ? 364 HOH D O   1 
HETATM 4271 O O   . HOH L 3 .   ? 18.264  0.631   5.282   1.00 40.65 ? 365 HOH D O   1 
HETATM 4272 O O   . HOH L 3 .   ? 15.631  6.703   -2.850  1.00 36.71 ? 366 HOH D O   1 
HETATM 4273 O O   . HOH L 3 .   ? 19.216  -7.158  16.362  1.00 23.63 ? 367 HOH D O   1 
HETATM 4274 O O   . HOH L 3 .   ? 0.346   -11.968 -13.590 1.00 34.97 ? 368 HOH D O   1 
HETATM 4275 O O   . HOH L 3 .   ? 3.705   7.523   1.281   1.00 31.82 ? 369 HOH D O   1 
HETATM 4276 O O   . HOH L 3 .   ? 5.172   11.219  -9.089  1.00 47.79 ? 370 HOH D O   1 
HETATM 4277 O O   . HOH L 3 .   ? -0.757  8.305   -4.435  1.00 34.28 ? 371 HOH D O   1 
HETATM 4278 O O   . HOH L 3 .   ? 16.477  -17.028 1.680   1.00 19.79 ? 372 HOH D O   1 
HETATM 4279 O O   . HOH L 3 .   ? -2.296  -5.225  -11.016 1.00 39.06 ? 373 HOH D O   1 
HETATM 4280 O O   . HOH L 3 .   ? 3.985   13.129  -11.779 1.00 55.15 ? 374 HOH D O   1 
HETATM 4281 O O   . HOH L 3 .   ? 20.931  -9.763  26.678  1.00 38.61 ? 375 HOH D O   1 
HETATM 4282 O O   . HOH L 3 .   ? 12.105  -12.019 18.921  1.00 26.83 ? 376 HOH D O   1 
HETATM 4283 O O   . HOH L 3 .   ? 10.811  11.036  -1.759  1.00 46.88 ? 377 HOH D O   1 
HETATM 4284 O O   . HOH L 3 .   ? 27.437  -16.191 6.252   1.00 39.73 ? 378 HOH D O   1 
HETATM 4285 O O   . HOH L 3 .   ? 21.457  -14.876 20.608  1.00 28.19 ? 379 HOH D O   1 
HETATM 4286 O O   . HOH L 3 .   ? 21.427  -14.105 13.796  1.00 35.18 ? 380 HOH D O   1 
HETATM 4287 O O   . HOH L 3 .   ? 23.687  -17.409 -7.892  1.00 46.96 ? 381 HOH D O   1 
HETATM 4288 O O   . HOH L 3 .   ? 21.919  -17.806 -4.163  1.00 24.04 ? 382 HOH D O   1 
HETATM 4289 O O   . HOH L 3 .   ? 20.669  2.067   -4.730  1.00 43.76 ? 383 HOH D O   1 
HETATM 4290 O O   . HOH L 3 .   ? 26.538  -18.395 8.719   1.00 54.19 ? 384 HOH D O   1 
HETATM 4291 O O   . HOH L 3 .   ? 30.068  -19.753 0.255   1.00 44.25 ? 385 HOH D O   1 
HETATM 4292 O O   . HOH L 3 .   ? 3.272   -3.361  -12.147 1.00 33.90 ? 386 HOH D O   1 
HETATM 4293 O O   . HOH L 3 .   ? 12.034  -8.282  20.885  1.00 40.58 ? 387 HOH D O   1 
HETATM 4294 O O   . HOH L 3 .   ? 16.287  3.741   8.781   1.00 22.70 ? 388 HOH D O   1 
HETATM 4295 O O   . HOH L 3 .   ? -10.755 -0.556  -5.698  1.00 42.73 ? 389 HOH D O   1 
HETATM 4296 O O   . HOH L 3 .   ? 16.391  -11.357 28.455  1.00 31.54 ? 390 HOH D O   1 
HETATM 4297 O O   . HOH L 3 .   ? -3.381  -2.789  -9.874  1.00 38.54 ? 391 HOH D O   1 
HETATM 4298 O O   . HOH L 3 .   ? -0.287  6.254   -6.413  1.00 39.01 ? 392 HOH D O   1 
HETATM 4299 O O   . HOH L 3 .   ? 16.464  8.688   9.969   1.00 36.95 ? 393 HOH D O   1 
HETATM 4300 O O   . HOH L 3 .   ? 23.106  -21.699 5.352   1.00 35.58 ? 394 HOH D O   1 
HETATM 4301 O O   . HOH L 3 .   ? 22.416  -1.454  -9.744  1.00 43.68 ? 395 HOH D O   1 
HETATM 4302 O O   . HOH L 3 .   ? 18.336  -18.252 26.407  1.00 43.74 ? 396 HOH D O   1 
HETATM 4303 O O   . HOH L 3 .   ? 9.674   7.464   -11.869 1.00 40.92 ? 397 HOH D O   1 
HETATM 4304 O O   . HOH L 3 .   ? 20.328  -10.310 20.047  1.00 37.79 ? 398 HOH D O   1 
HETATM 4305 O O   . HOH L 3 .   ? 16.759  -20.090 24.213  1.00 38.47 ? 399 HOH D O   1 
HETATM 4306 O O   . HOH L 3 .   ? 21.095  -17.246 14.626  1.00 24.25 ? 400 HOH D O   1 
HETATM 4307 O O   . HOH L 3 .   ? 19.327  -9.481  -10.605 1.00 56.87 ? 401 HOH D O   1 
HETATM 4308 O O   . HOH L 3 .   ? 14.360  -16.497 20.913  1.00 42.26 ? 402 HOH D O   1 
HETATM 4309 O O   . HOH L 3 .   ? 17.668  2.683   6.387   1.00 38.48 ? 403 HOH D O   1 
HETATM 4310 O O   . HOH L 3 .   ? 20.692  -7.771  12.089  1.00 28.14 ? 404 HOH D O   1 
HETATM 4311 O O   . HOH L 3 .   ? 15.994  6.748   11.780  1.00 33.70 ? 405 HOH D O   1 
HETATM 4312 O O   . HOH L 3 .   ? -9.123  4.792   0.291   1.00 38.36 ? 406 HOH D O   1 
HETATM 4313 O O   . HOH L 3 .   ? 5.784   9.851   -2.494  1.00 32.77 ? 407 HOH D O   1 
HETATM 4314 O O   . HOH L 3 .   ? -11.731 4.341   -4.108  1.00 43.20 ? 408 HOH D O   1 
HETATM 4315 O O   . HOH L 3 .   ? 23.209  -0.626  -13.664 1.00 48.18 ? 409 HOH D O   1 
HETATM 4316 O O   . HOH L 3 .   ? 21.859  -17.524 26.007  1.00 40.70 ? 410 HOH D O   1 
HETATM 4317 O O   . HOH L 3 .   ? -3.460  12.634  -3.651  1.00 36.90 ? 411 HOH D O   1 
HETATM 4318 O O   . HOH L 3 .   ? 20.168  -9.694  17.374  1.00 32.25 ? 412 HOH D O   1 
HETATM 4319 O O   . HOH L 3 .   ? -5.909  -12.766 -3.489  1.00 27.69 ? 413 HOH D O   1 
HETATM 4320 O O   . HOH L 3 .   ? 12.496  -10.419 25.416  1.00 44.66 ? 414 HOH D O   1 
HETATM 4321 O O   . HOH L 3 .   ? 24.021  -21.657 7.411   1.00 42.61 ? 415 HOH D O   1 
HETATM 4322 O O   . HOH L 3 .   ? 24.220  -14.721 12.854  1.00 43.02 ? 416 HOH D O   1 
HETATM 4323 O O   . HOH L 3 .   ? 11.670  0.079   -13.902 1.00 32.43 ? 417 HOH D O   1 
HETATM 4324 O O   . HOH L 3 .   ? 7.954   -15.689 -10.204 1.00 54.19 ? 418 HOH D O   1 
HETATM 4325 O O   . HOH L 3 .   ? 26.075  -12.518 5.722   1.00 46.33 ? 419 HOH D O   1 
HETATM 4326 O O   . HOH L 3 .   ? 5.525   -16.217 -4.766  1.00 25.95 ? 420 HOH D O   1 
HETATM 4327 O O   . HOH L 3 .   ? 15.184  6.891   3.940   1.00 57.25 ? 421 HOH D O   1 
HETATM 4328 O O   . HOH L 3 .   ? 14.592  9.792   -7.735  1.00 46.68 ? 422 HOH D O   1 
HETATM 4329 O O   . HOH L 3 .   ? -4.837  -14.548 -5.203  1.00 37.43 ? 423 HOH D O   1 
HETATM 4330 O O   . HOH L 3 .   ? 11.520  -10.862 23.174  1.00 37.87 ? 424 HOH D O   1 
HETATM 4331 O O   . HOH L 3 .   ? 15.311  10.672  -5.081  1.00 49.11 ? 425 HOH D O   1 
HETATM 4332 O O   . HOH L 3 .   ? -5.711  -12.799 -9.858  1.00 46.70 ? 426 HOH D O   1 
HETATM 4333 O O   . HOH L 3 .   ? 22.216  -11.196 16.011  1.00 42.84 ? 427 HOH D O   1 
HETATM 4334 O O   . HOH L 3 .   ? 18.603  -14.645 -5.529  1.00 30.39 ? 428 HOH D O   1 
HETATM 4335 O O   . HOH L 3 .   ? 9.812   -20.178 23.883  1.00 42.31 ? 429 HOH D O   1 
HETATM 4336 O O   . HOH L 3 .   ? 11.785  -14.054 -9.405  1.00 37.16 ? 430 HOH D O   1 
HETATM 4337 O O   . HOH L 3 .   ? -2.529  12.317  -5.990  1.00 40.64 ? 431 HOH D O   1 
HETATM 4338 O O   . HOH L 3 .   ? 26.687  -7.023  -0.393  1.00 55.20 ? 432 HOH D O   1 
HETATM 4339 O O   . HOH L 3 .   ? 19.233  -16.761 -3.833  1.00 25.37 ? 433 HOH D O   1 
HETATM 4340 O O   . HOH L 3 .   ? 6.043   15.248  -11.775 1.00 43.99 ? 434 HOH D O   1 
HETATM 4341 O O   . HOH L 3 .   ? 20.210  -14.893 -7.506  1.00 37.04 ? 435 HOH D O   1 
HETATM 4342 O O   . HOH L 3 .   ? -0.352  10.364  -6.101  1.00 47.81 ? 436 HOH D O   1 
HETATM 4343 O O   . HOH L 3 .   ? -3.602  3.877   -8.177  1.00 33.89 ? 437 HOH D O   1 
HETATM 4344 O O   . HOH L 3 .   ? -2.115  1.927   -9.701  1.00 41.52 ? 438 HOH D O   1 
HETATM 4345 O O   . HOH L 3 .   ? -0.815  5.352   -9.385  1.00 54.77 ? 439 HOH D O   1 
HETATM 4346 O O   . HOH L 3 .   ? 21.867  -12.225 19.624  1.00 36.42 ? 440 HOH D O   1 
HETATM 4347 O O   . HOH L 3 .   ? 4.186   -14.748 -9.069  1.00 42.68 ? 441 HOH D O   1 
HETATM 4348 O O   . HOH L 3 .   ? 30.024  -20.280 -2.200  1.00 46.91 ? 442 HOH D O   1 
HETATM 4349 O O   . HOH L 3 .   ? 7.864   -16.777 -5.409  1.00 30.68 ? 443 HOH D O   1 
HETATM 4350 O O   . HOH L 3 .   ? -8.682  6.135   2.656   1.00 39.80 ? 444 HOH D O   1 
HETATM 4351 O O   . HOH L 3 .   ? 20.205  -19.580 26.222  1.00 43.05 ? 445 HOH D O   1 
HETATM 4352 O O   . HOH L 3 .   ? -6.595  1.470   -10.383 1.00 48.08 ? 446 HOH D O   1 
HETATM 4353 O O   . HOH L 3 .   ? -2.144  -17.419 -4.353  1.00 38.19 ? 447 HOH D O   1 
HETATM 4354 O O   . HOH L 3 .   ? 22.278  -4.770  20.650  1.00 42.88 ? 448 HOH D O   1 
HETATM 4355 O O   . HOH L 3 .   ? 5.120   -18.283 -3.089  1.00 27.48 ? 449 HOH D O   1 
HETATM 4356 O O   . HOH L 3 .   ? 25.288  -10.397 10.193  1.00 53.00 ? 450 HOH D O   1 
HETATM 4357 O O   . HOH L 3 .   ? 3.172   -11.709 -13.877 1.00 42.73 ? 451 HOH D O   1 
HETATM 4358 O O   . HOH L 3 .   ? 8.231   -17.199 -8.381  1.00 38.24 ? 452 HOH D O   1 
HETATM 4359 O O   . HOH L 3 .   ? -4.301  11.734  -8.237  1.00 41.86 ? 453 HOH D O   1 
HETATM 4360 O O   . HOH L 3 .   ? 23.074  -24.097 4.383   1.00 51.10 ? 454 HOH D O   1 
HETATM 4361 O O   . HOH L 3 .   ? 19.653  -5.140  29.515  1.00 54.51 ? 455 HOH D O   1 
HETATM 4362 O O   . HOH L 3 .   ? 15.535  -10.124 -12.714 1.00 49.91 ? 456 HOH D O   1 
HETATM 4363 O O   . HOH L 3 .   ? 31.514  -19.348 -4.150  1.00 47.14 ? 457 HOH D O   1 
HETATM 4364 O O   . HOH L 3 .   ? 21.365  -3.387  22.734  1.00 47.91 ? 458 HOH D O   1 
HETATM 4365 O O   . HOH L 3 .   ? 3.809   -16.496 -7.109  1.00 33.35 ? 459 HOH D O   1 
HETATM 4366 O O   . HOH L 3 .   ? 29.554  -16.841 9.650   1.00 49.74 ? 460 HOH D O   1 
HETATM 4367 O O   . HOH L 3 .   ? 17.816  -18.151 -5.556  1.00 41.46 ? 461 HOH D O   1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N   . GLY A 2   ? 0.4707 0.2812 0.3668 0.0632  0.0009  0.0336  16  GLY A N   
2    C CA  . GLY A 2   ? 0.4002 0.2357 0.2974 0.0490  -0.0163 0.0560  16  GLY A CA  
3    C C   . GLY A 2   ? 0.3644 0.2120 0.2781 0.0031  -0.0184 0.0362  16  GLY A C   
4    O O   . GLY A 2   ? 0.4330 0.2054 0.2763 -0.0211 0.0375  0.0221  16  GLY A O   
5    N N   . ILE A 3   ? 0.3691 0.2075 0.2680 0.0164  -0.0120 0.0503  17  ILE A N   
6    C CA  . ILE A 3   ? 0.3633 0.1851 0.2528 0.0043  0.0043  0.0523  17  ILE A CA  
7    C C   . ILE A 3   ? 0.3587 0.1590 0.2402 0.0106  0.0150  0.0260  17  ILE A C   
8    O O   . ILE A 3   ? 0.3956 0.1639 0.2592 0.0352  0.0520  0.0034  17  ILE A O   
9    C CB  . ILE A 3   ? 0.3647 0.1866 0.2609 -0.0059 0.0223  0.0454  17  ILE A CB  
10   C CG1 . ILE A 3   ? 0.3423 0.1873 0.2312 -0.0004 -0.0011 0.0064  17  ILE A CG1 
11   C CG2 . ILE A 3   ? 0.3704 0.1753 0.2577 -0.0050 -0.0020 0.0509  17  ILE A CG2 
12   C CD1 . ILE A 3   ? 0.3199 0.1798 0.2493 -0.0116 0.0054  -0.0148 17  ILE A CD1 
13   N N   . THR A 4   ? 0.3591 0.1308 0.2321 -0.0035 0.0203  0.0244  18  THR A N   
14   C CA  . THR A 4   ? 0.3456 0.1344 0.2391 -0.0018 0.0001  0.0081  18  THR A CA  
15   C C   . THR A 4   ? 0.3277 0.1386 0.2275 0.0079  0.0392  0.0339  18  THR A C   
16   O O   . THR A 4   ? 0.3893 0.1496 0.2591 -0.0014 0.0709  0.0410  18  THR A O   
17   C CB  . THR A 4   ? 0.3920 0.1419 0.2182 -0.0099 -0.0009 0.0032  18  THR A CB  
18   O OG1 . THR A 4   ? 0.4325 0.1617 0.2388 -0.0236 0.0307  0.0011  18  THR A OG1 
19   C CG2 . THR A 4   ? 0.4200 0.1238 0.2463 -0.0230 -0.0031 -0.0008 18  THR A CG2 
20   N N   . GLY A 5   ? 0.2657 0.1380 0.2487 0.0030  0.0380  0.0253  19  GLY A N   
21   C CA  . GLY A 5   ? 0.2738 0.1443 0.2546 0.0088  0.0450  0.0372  19  GLY A CA  
22   C C   . GLY A 5   ? 0.3087 0.1528 0.2338 -0.0010 0.0627  0.0399  19  GLY A C   
23   O O   . GLY A 5   ? 0.3509 0.1665 0.2294 -0.0020 0.0401  0.0457  19  GLY A O   
24   N N   . THR A 6   ? 0.2792 0.1593 0.2393 -0.0150 0.0411  0.0318  20  THR A N   
25   C CA  . THR A 6   ? 0.2998 0.1593 0.2441 -0.0248 0.0608  0.0048  20  THR A CA  
26   C C   . THR A 6   ? 0.3174 0.1496 0.2269 -0.0175 0.0513  0.0107  20  THR A C   
27   O O   . THR A 6   ? 0.3828 0.1661 0.2905 -0.0095 0.0448  0.0147  20  THR A O   
28   C CB  . THR A 6   ? 0.2992 0.1901 0.2579 -0.0292 0.0454  -0.0169 20  THR A CB  
29   O OG1 . THR A 6   ? 0.3526 0.2106 0.2916 -0.0480 0.0767  -0.0100 20  THR A OG1 
30   C CG2 . THR A 6   ? 0.2900 0.2190 0.2550 -0.0242 0.0172  -0.0132 20  THR A CG2 
31   N N   . TRP A 7   ? 0.2826 0.1587 0.2105 -0.0215 0.0434  0.0063  21  TRP A N   
32   C CA  . TRP A 7   ? 0.2469 0.1683 0.2003 0.0021  0.0380  0.0216  21  TRP A CA  
33   C C   . TRP A 7   ? 0.2657 0.1682 0.1693 0.0026  0.0365  0.0309  21  TRP A C   
34   O O   . TRP A 7   ? 0.2700 0.1790 0.2011 0.0088  0.0088  0.0307  21  TRP A O   
35   C CB  . TRP A 7   ? 0.2451 0.1731 0.2243 -0.0026 0.0514  0.0017  21  TRP A CB  
36   C CG  . TRP A 7   ? 0.2856 0.1722 0.2048 0.0322  0.0427  -0.0286 21  TRP A CG  
37   C CD1 . TRP A 7   ? 0.2950 0.1775 0.2380 0.0276  0.0590  -0.0112 21  TRP A CD1 
38   C CD2 . TRP A 7   ? 0.3055 0.1950 0.2314 0.0321  0.0417  -0.0190 21  TRP A CD2 
39   N NE1 . TRP A 7   ? 0.2964 0.1937 0.2483 0.0293  0.0480  0.0038  21  TRP A NE1 
40   C CE2 . TRP A 7   ? 0.3134 0.1966 0.2391 0.0362  0.0222  -0.0069 21  TRP A CE2 
41   C CE3 . TRP A 7   ? 0.3080 0.2095 0.2492 0.0345  0.0230  -0.0045 21  TRP A CE3 
42   C CZ2 . TRP A 7   ? 0.3194 0.1980 0.2445 0.0451  0.0572  -0.0119 21  TRP A CZ2 
43   C CZ3 . TRP A 7   ? 0.3026 0.2074 0.2472 0.0591  0.0123  -0.0123 21  TRP A CZ3 
44   C CH2 . TRP A 7   ? 0.3196 0.1945 0.2593 0.0698  0.0555  -0.0239 21  TRP A CH2 
45   N N   . TYR A 8   ? 0.2622 0.1695 0.1760 -0.0085 0.0582  0.0020  22  TYR A N   
46   C CA  . TYR A 8   ? 0.2778 0.1810 0.2241 -0.0189 0.0618  0.0075  22  TYR A CA  
47   C C   . TYR A 8   ? 0.2293 0.1584 0.2109 -0.0161 0.0141  0.0114  22  TYR A C   
48   O O   . TYR A 8   ? 0.2185 0.1698 0.2501 0.0061  0.0042  0.0179  22  TYR A O   
49   C CB  . TYR A 8   ? 0.3310 0.1901 0.2756 -0.0765 0.1057  0.0063  22  TYR A CB  
50   C CG  . TYR A 8   ? 0.3872 0.2242 0.2765 -0.1110 0.1306  0.0061  22  TYR A CG  
51   C CD1 . TYR A 8   ? 0.3942 0.2355 0.2656 -0.1180 0.1200  0.0022  22  TYR A CD1 
52   C CD2 . TYR A 8   ? 0.3977 0.2401 0.2614 -0.1287 0.1105  0.0147  22  TYR A CD2 
53   C CE1 . TYR A 8   ? 0.4205 0.2611 0.2900 -0.1559 0.1077  -0.0024 22  TYR A CE1 
54   C CE2 . TYR A 8   ? 0.4047 0.2555 0.2657 -0.1253 0.1234  0.0188  22  TYR A CE2 
55   C CZ  . TYR A 8   ? 0.4247 0.2493 0.2718 -0.1555 0.1086  -0.0083 22  TYR A CZ  
56   O OH  . TYR A 8   ? 0.4313 0.2663 0.2732 -0.1828 0.0954  -0.0443 22  TYR A OH  
57   N N   . ASN A 9   ? 0.2857 0.1475 0.2088 -0.0182 0.0538  -0.0011 23  ASN A N   
58   C CA  . ASN A 9   ? 0.2844 0.1422 0.2182 -0.0485 0.0140  0.0313  23  ASN A CA  
59   C C   . ASN A 9   ? 0.2948 0.1600 0.2290 -0.0566 0.0393  0.0394  23  ASN A C   
60   O O   . ASN A 9   ? 0.3449 0.1544 0.2625 -0.0935 0.0750  0.0157  23  ASN A O   
61   C CB  . ASN A 9   ? 0.2465 0.1550 0.2323 -0.0132 0.0176  0.0451  23  ASN A CB  
62   C CG  . ASN A 9   ? 0.2313 0.1513 0.2438 -0.0246 0.0003  0.0438  23  ASN A CG  
63   O OD1 . ASN A 9   ? 0.2424 0.1713 0.2661 0.0045  -0.0063 -0.0015 23  ASN A OD1 
64   N ND2 . ASN A 9   ? 0.2817 0.1761 0.2505 -0.0387 0.0075  0.0773  23  ASN A ND2 
65   N N   . GLN A 10  ? 0.3232 0.1961 0.2211 -0.0407 0.0329  0.0275  24  GLN A N   
66   C CA  . GLN A 10  ? 0.3309 0.2143 0.2271 -0.0533 0.0380  0.0149  24  GLN A CA  
67   C C   . GLN A 10  ? 0.3190 0.2546 0.2418 -0.0638 0.0309  -0.0067 24  GLN A C   
68   O O   . GLN A 10  ? 0.3698 0.2834 0.2417 -0.0577 0.0516  0.0287  24  GLN A O   
69   C CB  . GLN A 10  ? 0.3133 0.2044 0.2334 -0.0519 -0.0035 -0.0007 24  GLN A CB  
70   C CG  . GLN A 10  ? 0.3164 0.1952 0.2417 -0.0328 0.0253  0.0050  24  GLN A CG  
71   C CD  . GLN A 10  ? 0.3312 0.1961 0.2637 -0.0048 0.0330  0.0034  24  GLN A CD  
72   O OE1 . GLN A 10  ? 0.3214 0.1937 0.2604 0.0210  0.0369  0.0071  24  GLN A OE1 
73   N NE2 . GLN A 10  ? 0.3527 0.2290 0.2765 -0.0089 0.0892  0.0132  24  GLN A NE2 
74   N N   . LEU A 11  ? 0.3078 0.2680 0.2616 -0.0724 0.0145  -0.0347 25  LEU A N   
75   C CA  . LEU A 11  ? 0.3096 0.3201 0.3016 -0.0718 0.0312  -0.0508 25  LEU A CA  
76   C C   . LEU A 11  ? 0.3472 0.3753 0.3092 -0.0720 0.0389  -0.0685 25  LEU A C   
77   O O   . LEU A 11  ? 0.3587 0.4326 0.3445 -0.0440 0.0141  -0.0832 25  LEU A O   
78   C CB  . LEU A 11  ? 0.3626 0.3249 0.3233 -0.0338 0.0203  -0.0224 25  LEU A CB  
79   C CG  . LEU A 11  ? 0.4128 0.3265 0.3375 -0.0589 0.0181  -0.0121 25  LEU A CG  
80   C CD1 . LEU A 11  ? 0.4264 0.3073 0.3154 -0.0815 0.0175  0.0085  25  LEU A CD1 
81   C CD2 . LEU A 11  ? 0.4357 0.3265 0.3511 -0.0463 0.0529  -0.0140 25  LEU A CD2 
82   N N   . GLY A 12  ? 0.4097 0.3428 0.2595 -0.1511 0.0843  -0.0872 26  GLY A N   
83   C CA  . GLY A 12  ? 0.4194 0.3308 0.2277 -0.1554 0.0873  -0.0866 26  GLY A CA  
84   C C   . GLY A 12  ? 0.3594 0.2978 0.2563 -0.1314 0.0730  -0.0880 26  GLY A C   
85   O O   . GLY A 12  ? 0.3795 0.3511 0.3319 -0.1569 0.0740  -0.0771 26  GLY A O   
86   N N   . SER A 13  ? 0.2666 0.2395 0.2295 -0.0722 0.0429  -0.0459 27  SER A N   
87   C CA  . SER A 13  ? 0.2721 0.2015 0.2438 -0.0334 0.0477  -0.0313 27  SER A CA  
88   C C   . SER A 13  ? 0.2396 0.1740 0.2097 0.0199  0.0186  -0.0095 27  SER A C   
89   O O   . SER A 13  ? 0.2837 0.2046 0.2398 0.0417  -0.0068 -0.0114 27  SER A O   
90   C CB  . SER A 13  ? 0.2705 0.1758 0.2666 0.0091  0.0323  -0.0152 27  SER A CB  
91   O OG  . SER A 13  ? 0.2963 0.1851 0.2971 -0.0142 0.0399  -0.0246 27  SER A OG  
92   N N   . THR A 14  ? 0.2577 0.1736 0.2335 0.0068  0.0518  0.0146  28  THR A N   
93   C CA  . THR A 14  ? 0.2481 0.1516 0.2410 -0.0198 0.0758  0.0106  28  THR A CA  
94   C C   . THR A 14  ? 0.2108 0.1494 0.2269 -0.0358 0.0525  0.0199  28  THR A C   
95   O O   . THR A 14  ? 0.2569 0.1925 0.2496 -0.0358 0.0311  0.0145  28  THR A O   
96   C CB  . THR A 14  ? 0.2808 0.1663 0.2791 -0.0542 0.0993  -0.0173 28  THR A CB  
97   O OG1 . THR A 14  ? 0.3087 0.2126 0.2975 -0.0053 0.1287  -0.0047 28  THR A OG1 
98   C CG2 . THR A 14  ? 0.3141 0.1712 0.2920 -0.0470 0.0868  -0.0143 28  THR A CG2 
99   N N   . PHE A 15  ? 0.1950 0.1480 0.2076 -0.0161 0.0423  0.0092  29  PHE A N   
100  C CA  . PHE A 15  ? 0.2510 0.1728 0.2341 -0.0158 0.0144  -0.0014 29  PHE A CA  
101  C C   . PHE A 15  ? 0.2850 0.1527 0.2073 0.0057  0.0290  0.0080  29  PHE A C   
102  O O   . PHE A 15  ? 0.3448 0.1221 0.2230 0.0232  0.0490  0.0140  29  PHE A O   
103  C CB  . PHE A 15  ? 0.2445 0.1636 0.2299 -0.0378 0.0277  -0.0023 29  PHE A CB  
104  C CG  . PHE A 15  ? 0.2548 0.1667 0.2143 -0.0119 0.0178  0.0432  29  PHE A CG  
105  C CD1 . PHE A 15  ? 0.2220 0.1839 0.2084 0.0197  0.0401  0.0197  29  PHE A CD1 
106  C CD2 . PHE A 15  ? 0.2750 0.1743 0.1945 0.0281  0.0008  0.0299  29  PHE A CD2 
107  C CE1 . PHE A 15  ? 0.2219 0.1745 0.1809 0.0565  -0.0185 0.0172  29  PHE A CE1 
108  C CE2 . PHE A 15  ? 0.2675 0.1790 0.1858 0.0213  -0.0070 0.0211  29  PHE A CE2 
109  C CZ  . PHE A 15  ? 0.2494 0.1620 0.1592 0.0474  -0.0085 -0.0093 29  PHE A CZ  
110  N N   . ILE A 16  ? 0.2682 0.1497 0.2082 0.0151  0.0641  -0.0093 30  ILE A N   
111  C CA  . ILE A 16  ? 0.2511 0.1838 0.2367 0.0167  0.0765  -0.0294 30  ILE A CA  
112  C C   . ILE A 16  ? 0.2464 0.2029 0.2141 0.0059  0.0456  0.0017  30  ILE A C   
113  O O   . ILE A 16  ? 0.2798 0.2336 0.2061 0.0115  0.0331  0.0420  30  ILE A O   
114  C CB  . ILE A 16  ? 0.2597 0.1831 0.2674 -0.0038 0.0722  -0.0487 30  ILE A CB  
115  C CG1 . ILE A 16  ? 0.2523 0.1876 0.2979 -0.0137 0.0140  -0.0336 30  ILE A CG1 
116  C CG2 . ILE A 16  ? 0.3093 0.1910 0.2848 0.0020  0.0916  -0.0697 30  ILE A CG2 
117  C CD1 . ILE A 16  ? 0.2693 0.1873 0.2973 -0.0168 0.0017  -0.0022 30  ILE A CD1 
118  N N   . VAL A 17  ? 0.2441 0.1726 0.1942 0.0145  0.0239  -0.0012 31  VAL A N   
119  C CA  . VAL A 17  ? 0.2165 0.1569 0.2059 0.0044  0.0341  -0.0054 31  VAL A CA  
120  C C   . VAL A 17  ? 0.2428 0.1643 0.2182 -0.0201 0.0430  -0.0037 31  VAL A C   
121  O O   . VAL A 17  ? 0.2614 0.1402 0.2394 -0.0096 0.0468  -0.0042 31  VAL A O   
122  C CB  . VAL A 17  ? 0.2431 0.1476 0.2255 -0.0139 0.0238  -0.0108 31  VAL A CB  
123  C CG1 . VAL A 17  ? 0.2651 0.1536 0.2157 0.0446  0.0158  -0.0357 31  VAL A CG1 
124  C CG2 . VAL A 17  ? 0.2340 0.1694 0.2246 0.0013  0.0719  -0.0129 31  VAL A CG2 
125  N N   . THR A 18  ? 0.2607 0.1811 0.2325 -0.0266 0.0507  -0.0415 32  THR A N   
126  C CA  . THR A 18  ? 0.2635 0.2024 0.2190 -0.0381 0.0376  -0.0649 32  THR A CA  
127  C C   . THR A 18  ? 0.2802 0.1932 0.2378 -0.0187 0.0010  -0.0381 32  THR A C   
128  O O   . THR A 18  ? 0.2660 0.1853 0.2498 -0.0183 0.0090  -0.0207 32  THR A O   
129  C CB  . THR A 18  ? 0.2680 0.2420 0.2679 -0.0556 0.0260  -0.0661 32  THR A CB  
130  O OG1 . THR A 18  ? 0.2961 0.2484 0.2902 -0.0354 0.0319  -0.0199 32  THR A OG1 
131  C CG2 . THR A 18  ? 0.2862 0.2659 0.3047 -0.0628 0.0835  -0.1134 32  THR A CG2 
132  N N   . ALA A 19  ? 0.3008 0.1783 0.2570 0.0030  -0.0068 -0.0110 33  ALA A N   
133  C CA  . ALA A 19  ? 0.3063 0.1660 0.2833 -0.0188 0.0053  -0.0237 33  ALA A CA  
134  C C   . ALA A 19  ? 0.2934 0.1605 0.3462 -0.0277 0.0392  -0.0321 33  ALA A C   
135  O O   . ALA A 19  ? 0.3114 0.1710 0.4094 -0.0187 0.0464  -0.0074 33  ALA A O   
136  C CB  . ALA A 19  ? 0.2877 0.1745 0.2637 -0.0177 0.0245  -0.0310 33  ALA A CB  
137  N N   . GLY A 20  ? 0.2919 0.1655 0.3270 -0.0093 0.0312  -0.0792 34  GLY A N   
138  C CA  . GLY A 20  ? 0.3399 0.1745 0.3777 0.0369  0.0746  -0.0880 34  GLY A CA  
139  C C   . GLY A 20  ? 0.3658 0.1844 0.4041 0.0700  0.0815  -0.0674 34  GLY A C   
140  O O   . GLY A 20  ? 0.3677 0.1800 0.4157 0.0717  0.0853  -0.0499 34  GLY A O   
141  N N   . ALA A 21  ? 0.4033 0.2132 0.4437 0.0741  0.1021  -0.0759 35  ALA A N   
142  C CA  . ALA A 21  ? 0.3991 0.2291 0.4565 0.1033  0.0974  -0.0901 35  ALA A CA  
143  C C   . ALA A 21  ? 0.3831 0.2453 0.4651 0.0971  0.0699  -0.0967 35  ALA A C   
144  O O   . ALA A 21  ? 0.4487 0.2725 0.5159 0.0759  0.0402  -0.0698 35  ALA A O   
145  C CB  . ALA A 21  ? 0.4206 0.2366 0.4817 0.1046  0.1166  -0.0815 35  ALA A CB  
146  N N   . ASP A 22  ? 0.3746 0.2447 0.4069 0.0702  0.0564  -0.1189 36  ASP A N   
147  C CA  . ASP A 22  ? 0.3672 0.2634 0.3697 0.0687  0.0415  -0.0925 36  ASP A CA  
148  C C   . ASP A 22  ? 0.3230 0.2531 0.3458 0.0431  0.0353  -0.0974 36  ASP A C   
149  O O   . ASP A 22  ? 0.3423 0.2922 0.3444 -0.0111 0.0650  -0.1183 36  ASP A O   
150  C CB  . ASP A 22  ? 0.3737 0.2741 0.3474 0.0654  0.0386  -0.0841 36  ASP A CB  
151  C CG  . ASP A 22  ? 0.4694 0.2820 0.3434 0.0389  0.0159  -0.0309 36  ASP A CG  
152  O OD1 . ASP A 22  ? 0.4913 0.2788 0.3002 0.0236  0.0085  -0.0162 36  ASP A OD1 
153  O OD2 . ASP A 22  ? 0.4956 0.2819 0.3749 0.0264  0.0252  -0.0026 36  ASP A OD2 
154  N N   . GLY A 23  ? 0.2441 0.2214 0.3101 0.0753  0.0238  -0.1023 37  GLY A N   
155  C CA  . GLY A 23  ? 0.2302 0.2160 0.2862 0.0834  0.0229  -0.0802 37  GLY A CA  
156  C C   . GLY A 23  ? 0.2090 0.2014 0.2242 0.0772  0.0382  -0.0625 37  GLY A C   
157  O O   . GLY A 23  ? 0.2427 0.1645 0.2363 0.0976  0.0236  -0.0204 37  GLY A O   
158  N N   . ALA A 24  ? 0.1916 0.2089 0.2258 0.0249  0.0063  -0.0485 38  ALA A N   
159  C CA  . ALA A 24  ? 0.2051 0.2151 0.2093 0.0099  0.0039  -0.0514 38  ALA A CA  
160  C C   . ALA A 24  ? 0.2254 0.2018 0.1930 0.0040  0.0336  -0.0192 38  ALA A C   
161  O O   . ALA A 24  ? 0.2557 0.2059 0.2445 0.0002  0.0340  -0.0128 38  ALA A O   
162  C CB  . ALA A 24  ? 0.2767 0.2220 0.2205 0.0284  -0.0188 -0.0281 38  ALA A CB  
163  N N   . LEU A 25  ? 0.2350 0.1770 0.1978 0.0137  0.0469  -0.0239 39  LEU A N   
164  C CA  . LEU A 25  ? 0.2157 0.1861 0.1989 -0.0210 0.0211  -0.0443 39  LEU A CA  
165  C C   . LEU A 25  ? 0.2071 0.1907 0.2087 -0.0052 -0.0116 -0.0429 39  LEU A C   
166  O O   . LEU A 25  ? 0.2016 0.2021 0.2182 0.0182  0.0121  -0.0198 39  LEU A O   
167  C CB  . LEU A 25  ? 0.1984 0.1795 0.1738 -0.0246 0.0077  -0.0527 39  LEU A CB  
168  C CG  . LEU A 25  ? 0.2409 0.1747 0.1672 -0.0354 0.0187  -0.0465 39  LEU A CG  
169  C CD1 . LEU A 25  ? 0.2181 0.1873 0.1689 -0.0206 0.0033  -0.0605 39  LEU A CD1 
170  C CD2 . LEU A 25  ? 0.2487 0.1664 0.2209 -0.0443 0.0210  -0.0238 39  LEU A CD2 
171  N N   . THR A 26  ? 0.2213 0.1818 0.2037 -0.0064 0.0252  -0.0395 40  THR A N   
172  C CA  . THR A 26  ? 0.1656 0.1791 0.2081 -0.0197 0.0248  -0.0402 40  THR A CA  
173  C C   . THR A 26  ? 0.1716 0.1908 0.2284 -0.0308 0.0131  -0.0112 40  THR A C   
174  O O   . THR A 26  ? 0.2268 0.1884 0.2726 0.0085  0.0227  0.0222  40  THR A O   
175  C CB  . THR A 26  ? 0.2657 0.1592 0.2374 -0.0121 0.0527  -0.0308 40  THR A CB  
176  O OG1 . THR A 26  ? 0.3386 0.1724 0.2402 -0.0126 0.0488  -0.0219 40  THR A OG1 
177  C CG2 . THR A 26  ? 0.2588 0.1521 0.2644 0.0107  0.0705  -0.0376 40  THR A CG2 
178  N N   . GLY A 27  ? 0.1350 0.1843 0.2110 -0.0122 0.0223  -0.0245 41  GLY A N   
179  C CA  . GLY A 27  ? 0.1960 0.1876 0.2430 0.0089  0.0306  0.0013  41  GLY A CA  
180  C C   . GLY A 27  ? 0.1989 0.1686 0.2155 -0.0122 0.0374  -0.0051 41  GLY A C   
181  O O   . GLY A 27  ? 0.2069 0.1707 0.2310 -0.0413 0.0049  0.0045  41  GLY A O   
182  N N   . THR A 28  ? 0.1861 0.1761 0.2050 -0.0402 0.0197  -0.0216 42  THR A N   
183  C CA  . THR A 28  ? 0.2346 0.1736 0.2022 -0.0300 0.0315  -0.0143 42  THR A CA  
184  C C   . THR A 28  ? 0.2584 0.1669 0.1922 -0.0341 0.0073  -0.0042 42  THR A C   
185  O O   . THR A 28  ? 0.2667 0.1675 0.1919 -0.0198 0.0250  0.0077  42  THR A O   
186  C CB  . THR A 28  ? 0.2655 0.1891 0.2141 -0.0232 0.0407  0.0011  42  THR A CB  
187  O OG1 . THR A 28  ? 0.2707 0.2008 0.2369 -0.0149 0.0501  0.0316  42  THR A OG1 
188  C CG2 . THR A 28  ? 0.2667 0.2171 0.1849 -0.0289 0.0156  -0.0141 42  THR A CG2 
189  N N   . TYR A 29  ? 0.2149 0.1623 0.2057 -0.0476 0.0281  -0.0179 43  TYR A N   
190  C CA  . TYR A 29  ? 0.1964 0.1536 0.1850 -0.0386 0.0279  -0.0247 43  TYR A CA  
191  C C   . TYR A 29  ? 0.1919 0.1700 0.2018 -0.0248 0.0514  0.0057  43  TYR A C   
192  O O   . TYR A 29  ? 0.2204 0.1961 0.2057 -0.0198 -0.0008 0.0044  43  TYR A O   
193  C CB  . TYR A 29  ? 0.2100 0.1556 0.2089 -0.0376 0.0130  -0.0030 43  TYR A CB  
194  C CG  . TYR A 29  ? 0.2256 0.1505 0.1757 -0.0267 0.0021  -0.0062 43  TYR A CG  
195  C CD1 . TYR A 29  ? 0.2424 0.1449 0.2001 -0.0342 0.0285  -0.0132 43  TYR A CD1 
196  C CD2 . TYR A 29  ? 0.2320 0.1554 0.1639 -0.0252 0.0039  0.0124  43  TYR A CD2 
197  C CE1 . TYR A 29  ? 0.2439 0.1440 0.1970 -0.0265 0.0083  0.0118  43  TYR A CE1 
198  C CE2 . TYR A 29  ? 0.2595 0.1365 0.1809 -0.0280 0.0432  0.0015  43  TYR A CE2 
199  C CZ  . TYR A 29  ? 0.2509 0.1538 0.1629 -0.0315 0.0636  0.0173  43  TYR A CZ  
200  O OH  . TYR A 29  ? 0.2521 0.1742 0.1676 -0.0303 0.0526  0.0143  43  TYR A OH  
201  N N   . GLU A 30  ? 0.1937 0.1589 0.2052 -0.0456 0.0598  -0.0015 44  GLU A N   
202  C CA  . GLU A 30  ? 0.1691 0.1943 0.2272 -0.0367 0.0282  -0.0269 44  GLU A CA  
203  C C   . GLU A 30  ? 0.2096 0.2274 0.2363 -0.0024 0.0462  -0.0164 44  GLU A C   
204  O O   . GLU A 30  ? 0.2359 0.2496 0.2383 -0.0018 0.0283  -0.0111 44  GLU A O   
205  C CB  . GLU A 30  ? 0.1464 0.2485 0.2815 -0.0325 0.0360  -0.0144 44  GLU A CB  
206  C CG  . GLU A 30  ? 0.2182 0.2822 0.3857 -0.0412 0.0257  -0.0332 44  GLU A CG  
207  C CD  . GLU A 30  ? 0.3204 0.3011 0.4875 -0.0254 0.0639  -0.0129 44  GLU A CD  
208  O OE1 . GLU A 30  ? 0.3590 0.3005 0.5160 -0.0344 0.0508  -0.0085 44  GLU A OE1 
209  O OE2 . GLU A 30  ? 0.3336 0.3155 0.5292 -0.0143 0.0714  -0.0167 44  GLU A OE2 
210  N N   . SER A 31  ? 0.2680 0.2356 0.2714 0.0041  0.0461  -0.0373 45  SER A N   
211  C CA  . SER A 31  ? 0.2898 0.2467 0.2826 -0.0055 0.0587  -0.0434 45  SER A CA  
212  C C   . SER A 31  ? 0.3689 0.2848 0.3162 0.0059  0.1258  -0.0394 45  SER A C   
213  O O   . SER A 31  ? 0.3445 0.3118 0.3301 -0.0065 0.1047  -0.0306 45  SER A O   
214  C CB  . SER A 31  ? 0.2978 0.2296 0.2799 -0.0240 0.0360  -0.0421 45  SER A CB  
215  O OG  . SER A 31  ? 0.2746 0.2254 0.3340 0.0090  0.0039  -0.0543 45  SER A OG  
216  N N   . ALA A 32  ? 0.4529 0.2969 0.3579 0.0206  0.1607  -0.0431 46  ALA A N   
217  C CA  . ALA A 32  ? 0.4831 0.3021 0.3535 0.0359  0.1995  -0.0445 46  ALA A CA  
218  C C   . ALA A 32  ? 0.4552 0.3008 0.3578 0.0309  0.1682  -0.0653 46  ALA A C   
219  O O   . ALA A 32  ? 0.4467 0.3356 0.4036 0.0062  0.1579  -0.0507 46  ALA A O   
220  C CB  . ALA A 32  ? 0.5681 0.3179 0.3769 0.0476  0.1889  -0.0224 46  ALA A CB  
221  N N   . VAL A 33  ? 0.4034 0.2866 0.3298 0.0209  0.0967  -0.0745 47  VAL A N   
222  C CA  . VAL A 33  ? 0.3715 0.2652 0.3019 -0.0095 0.0375  -0.0760 47  VAL A CA  
223  C C   . VAL A 33  ? 0.3154 0.2652 0.2850 -0.0300 0.0348  -0.0576 47  VAL A C   
224  O O   . VAL A 33  ? 0.3654 0.2478 0.3144 -0.0323 0.0772  -0.0231 47  VAL A O   
225  C CB  . VAL A 33  ? 0.4089 0.2692 0.3337 -0.0113 0.0132  -0.0606 47  VAL A CB  
226  C CG1 . VAL A 33  ? 0.4402 0.2629 0.3301 -0.0248 -0.0228 -0.0623 47  VAL A CG1 
227  C CG2 . VAL A 33  ? 0.3896 0.2710 0.3613 0.0064  -0.0039 -0.0580 47  VAL A CG2 
228  N N   . GLY A 34  ? 0.2672 0.2942 0.2743 -0.0213 0.0130  -0.0338 48  GLY A N   
229  C CA  . GLY A 34  ? 0.3000 0.3209 0.3094 -0.0150 -0.0074 -0.0313 48  GLY A CA  
230  C C   . GLY A 34  ? 0.3171 0.3445 0.3044 -0.0230 0.0108  -0.0323 48  GLY A C   
231  O O   . GLY A 34  ? 0.2913 0.3706 0.3069 -0.0266 0.0279  -0.0567 48  GLY A O   
232  N N   . ASN A 35  ? 0.3311 0.3577 0.3099 -0.0131 0.0058  -0.0318 49  ASN A N   
233  C CA  . ASN A 35  ? 0.3805 0.3480 0.3271 0.0119  0.0080  -0.0283 49  ASN A CA  
234  C C   . ASN A 35  ? 0.3983 0.3323 0.3698 0.0041  0.0448  -0.0513 49  ASN A C   
235  O O   . ASN A 35  ? 0.4283 0.3471 0.3585 -0.0382 0.0841  -0.0621 49  ASN A O   
236  C CB  . ASN A 35  ? 0.4268 0.3500 0.3611 0.0440  0.0115  0.0103  49  ASN A CB  
237  C CG  . ASN A 35  ? 0.5036 0.3507 0.4133 0.0592  0.0613  0.0551  49  ASN A CG  
238  O OD1 . ASN A 35  ? 0.5431 0.3440 0.4613 0.0379  0.0615  0.0393  49  ASN A OD1 
239  N ND2 . ASN A 35  ? 0.4989 0.3403 0.4102 0.1081  0.0792  0.1087  49  ASN A ND2 
240  N N   . ALA A 36  ? 0.3161 0.2962 0.3879 0.0083  -0.0124 -0.0768 50  ALA A N   
241  C CA  . ALA A 36  ? 0.2613 0.2828 0.3683 0.0027  -0.0113 -0.0735 50  ALA A CA  
242  C C   . ALA A 36  ? 0.2446 0.2846 0.3388 0.0199  0.0035  -0.0647 50  ALA A C   
243  O O   . ALA A 36  ? 0.2876 0.3005 0.3272 0.0284  0.0039  -0.0402 50  ALA A O   
244  C CB  . ALA A 36  ? 0.2212 0.2540 0.3669 0.0061  -0.0305 -0.0503 50  ALA A CB  
245  N N   . GLU A 37  ? 0.1975 0.2652 0.3573 0.0201  0.0024  -0.0556 51  GLU A N   
246  C CA  . GLU A 37  ? 0.2265 0.2740 0.3804 0.0604  0.0110  -0.0208 51  GLU A CA  
247  C C   . GLU A 37  ? 0.1943 0.2423 0.3453 0.0469  0.0183  0.0037  51  GLU A C   
248  O O   . GLU A 37  ? 0.2596 0.2293 0.3178 0.0250  0.0302  -0.0034 51  GLU A O   
249  C CB  . GLU A 37  ? 0.2462 0.3072 0.4183 0.0382  -0.0024 -0.0208 51  GLU A CB  
250  C CG  . GLU A 37  ? 0.3303 0.3244 0.4208 0.0531  -0.0190 -0.0222 51  GLU A CG  
251  C CD  . GLU A 37  ? 0.3844 0.3385 0.4084 0.0583  -0.0330 -0.0103 51  GLU A CD  
252  O OE1 . GLU A 37  ? 0.4274 0.3557 0.4003 0.0753  0.0105  0.0173  51  GLU A OE1 
253  O OE2 . GLU A 37  ? 0.4014 0.3413 0.4075 0.0605  -0.0892 0.0072  51  GLU A OE2 
254  N N   . SER A 38  ? 0.1687 0.2229 0.3291 0.0044  0.0281  0.0114  52  SER A N   
255  C CA  . SER A 38  ? 0.1933 0.2336 0.3545 0.0049  0.0088  -0.0222 52  SER A CA  
256  C C   . SER A 38  ? 0.1819 0.2193 0.3102 -0.0028 0.0308  -0.0135 52  SER A C   
257  O O   . SER A 38  ? 0.1786 0.2001 0.3447 -0.0170 0.0646  0.0181  52  SER A O   
258  C CB  . SER A 38  ? 0.2227 0.2564 0.4416 -0.0079 -0.0613 -0.0793 52  SER A CB  
259  O OG  . SER A 38  ? 0.2726 0.2734 0.4778 -0.0255 -0.0514 -0.1069 52  SER A OG  
260  N N   . ARG A 39  ? 0.2124 0.2456 0.2515 -0.0354 0.0541  -0.0369 53  ARG A N   
261  C CA  . ARG A 39  ? 0.2220 0.2399 0.2864 -0.0474 0.0748  -0.0149 53  ARG A CA  
262  C C   . ARG A 39  ? 0.1918 0.2290 0.2634 -0.0740 0.0549  -0.0047 53  ARG A C   
263  O O   . ARG A 39  ? 0.1617 0.2213 0.2913 -0.0533 0.0123  -0.0300 53  ARG A O   
264  C CB  . ARG A 39  ? 0.2594 0.2343 0.3130 -0.0613 0.0592  -0.0299 53  ARG A CB  
265  C CG  . ARG A 39  ? 0.2698 0.2310 0.3037 -0.0598 0.0499  0.0078  53  ARG A CG  
266  C CD  . ARG A 39  ? 0.3016 0.2457 0.3576 -0.0660 0.0618  0.0067  53  ARG A CD  
267  N NE  . ARG A 39  ? 0.3459 0.2726 0.3890 -0.0250 0.0719  0.0075  53  ARG A NE  
268  C CZ  . ARG A 39  ? 0.4101 0.2845 0.4065 -0.0537 0.0566  -0.0345 53  ARG A CZ  
269  N NH1 . ARG A 39  ? 0.4845 0.3016 0.4390 -0.0237 0.0692  -0.0526 53  ARG A NH1 
270  N NH2 . ARG A 39  ? 0.4006 0.2869 0.4150 -0.0734 0.0298  -0.0393 53  ARG A NH2 
271  N N   . TYR A 40  ? 0.1563 0.2182 0.2366 -0.0514 0.0700  -0.0005 54  TYR A N   
272  C CA  . TYR A 40  ? 0.1604 0.1553 0.2031 -0.0482 0.0357  -0.0165 54  TYR A CA  
273  C C   . TYR A 40  ? 0.1591 0.1441 0.2092 -0.0017 0.0459  0.0095  54  TYR A C   
274  O O   . TYR A 40  ? 0.1866 0.1421 0.2551 0.0116  0.0080  0.0193  54  TYR A O   
275  C CB  . TYR A 40  ? 0.1964 0.1336 0.1975 -0.0271 0.0067  -0.0325 54  TYR A CB  
276  C CG  . TYR A 40  ? 0.1606 0.1278 0.1978 0.0048  0.0160  -0.0152 54  TYR A CG  
277  C CD1 . TYR A 40  ? 0.1915 0.1494 0.2050 -0.0051 0.0258  -0.0268 54  TYR A CD1 
278  C CD2 . TYR A 40  ? 0.1919 0.1535 0.2095 0.0088  0.0169  0.0009  54  TYR A CD2 
279  C CE1 . TYR A 40  ? 0.2197 0.1590 0.2221 0.0132  0.0302  -0.0234 54  TYR A CE1 
280  C CE2 . TYR A 40  ? 0.1762 0.1731 0.2234 0.0010  0.0199  -0.0249 54  TYR A CE2 
281  C CZ  . TYR A 40  ? 0.2040 0.1851 0.2411 0.0094  0.0358  -0.0208 54  TYR A CZ  
282  O OH  . TYR A 40  ? 0.2095 0.2373 0.2675 0.0030  0.0619  -0.0250 54  TYR A OH  
283  N N   . VAL A 41  ? 0.1652 0.1571 0.1931 -0.0035 0.0357  -0.0321 55  VAL A N   
284  C CA  . VAL A 41  ? 0.1551 0.1652 0.2093 -0.0070 0.0079  -0.0108 55  VAL A CA  
285  C C   . VAL A 41  ? 0.1417 0.1834 0.2065 -0.0066 0.0048  -0.0022 55  VAL A C   
286  O O   . VAL A 41  ? 0.1612 0.1898 0.2102 -0.0187 0.0105  -0.0027 55  VAL A O   
287  C CB  . VAL A 41  ? 0.1653 0.2031 0.1959 -0.0133 -0.0341 -0.0210 55  VAL A CB  
288  C CG1 . VAL A 41  ? 0.1660 0.2150 0.1964 0.0067  -0.0286 0.0065  55  VAL A CG1 
289  C CG2 . VAL A 41  ? 0.1985 0.2019 0.1979 -0.0518 -0.0407 -0.0824 55  VAL A CG2 
290  N N   . LEU A 42  ? 0.1477 0.1529 0.1960 0.0215  -0.0058 0.0024  56  LEU A N   
291  C CA  . LEU A 42  ? 0.1574 0.1562 0.2011 0.0225  0.0051  -0.0164 56  LEU A CA  
292  C C   . LEU A 42  ? 0.1794 0.1585 0.1997 0.0065  0.0452  -0.0083 56  LEU A C   
293  O O   . LEU A 42  ? 0.1746 0.1497 0.2300 0.0018  0.0230  -0.0277 56  LEU A O   
294  C CB  . LEU A 42  ? 0.2321 0.1565 0.1967 0.0401  0.0400  0.0098  56  LEU A CB  
295  C CG  . LEU A 42  ? 0.2102 0.1509 0.2005 0.0362  0.0212  0.0130  56  LEU A CG  
296  C CD1 . LEU A 42  ? 0.1901 0.1599 0.1967 0.0288  0.0054  -0.0050 56  LEU A CD1 
297  C CD2 . LEU A 42  ? 0.2710 0.1626 0.2241 0.0202  0.0380  0.0040  56  LEU A CD2 
298  N N   . THR A 43  ? 0.1685 0.1619 0.2036 -0.0055 0.0066  -0.0336 57  THR A N   
299  C CA  . THR A 43  ? 0.1666 0.1491 0.1816 0.0069  0.0064  0.0028  57  THR A CA  
300  C C   . THR A 43  ? 0.1862 0.1535 0.1905 0.0066  0.0372  -0.0219 57  THR A C   
301  O O   . THR A 43  ? 0.1700 0.1610 0.1917 0.0003  0.0156  -0.0321 57  THR A O   
302  C CB  . THR A 43  ? 0.2341 0.1539 0.2112 -0.0750 -0.0220 0.0120  57  THR A CB  
303  O OG1 . THR A 43  ? 0.2740 0.1802 0.2321 -0.0476 0.0173  0.0228  57  THR A OG1 
304  C CG2 . THR A 43  ? 0.2751 0.1774 0.2553 -0.0924 -0.0154 0.0373  57  THR A CG2 
305  N N   . GLY A 44  ? 0.2077 0.1591 0.1973 0.0322  0.0058  -0.0246 58  GLY A N   
306  C CA  . GLY A 44  ? 0.2245 0.1580 0.1760 0.0460  -0.0222 -0.0092 58  GLY A CA  
307  C C   . GLY A 44  ? 0.1808 0.1537 0.1800 0.0321  0.0239  -0.0136 58  GLY A C   
308  O O   . GLY A 44  ? 0.2180 0.1328 0.1910 0.0251  0.0096  -0.0504 58  GLY A O   
309  N N   . ARG A 45  ? 0.1464 0.1742 0.1721 0.0681  -0.0213 -0.0009 59  ARG A N   
310  C CA  . ARG A 45  ? 0.1852 0.1692 0.1503 0.0582  0.0042  -0.0070 59  ARG A CA  
311  C C   . ARG A 45  ? 0.2149 0.1310 0.1648 0.0596  -0.0058 0.0120  59  ARG A C   
312  O O   . ARG A 45  ? 0.2248 0.1633 0.1615 0.0391  -0.0031 -0.0230 59  ARG A O   
313  C CB  . ARG A 45  ? 0.1976 0.1939 0.1645 0.0463  0.0056  0.0077  59  ARG A CB  
314  C CG  . ARG A 45  ? 0.1981 0.2117 0.1639 0.0479  0.0083  -0.0109 59  ARG A CG  
315  C CD  . ARG A 45  ? 0.1829 0.2245 0.2040 0.0593  0.0212  -0.0368 59  ARG A CD  
316  N NE  . ARG A 45  ? 0.2068 0.2317 0.1631 0.0472  0.0050  -0.0388 59  ARG A NE  
317  C CZ  . ARG A 45  ? 0.2012 0.2477 0.1800 -0.0147 0.0463  -0.0569 59  ARG A CZ  
318  N NH1 . ARG A 45  ? 0.2310 0.2591 0.2239 -0.0175 0.0294  -0.0951 59  ARG A NH1 
319  N NH2 . ARG A 45  ? 0.2385 0.2388 0.2200 -0.0363 0.0423  -0.0286 59  ARG A NH2 
320  N N   . TYR A 46  ? 0.2161 0.1356 0.2061 0.0614  -0.0290 -0.0074 60  TYR A N   
321  C CA  . TYR A 46  ? 0.2205 0.1365 0.2116 0.0651  -0.0010 -0.0103 60  TYR A CA  
322  C C   . TYR A 46  ? 0.2158 0.1701 0.1878 0.0761  -0.0355 -0.0155 60  TYR A C   
323  O O   . TYR A 46  ? 0.2620 0.1894 0.1924 0.1035  -0.0124 -0.0211 60  TYR A O   
324  C CB  . TYR A 46  ? 0.2196 0.1484 0.2686 0.0239  0.0261  -0.0004 60  TYR A CB  
325  C CG  . TYR A 46  ? 0.2203 0.1561 0.2948 0.0064  0.0370  -0.0072 60  TYR A CG  
326  C CD1 . TYR A 46  ? 0.2341 0.1492 0.3042 0.0088  0.0211  -0.0129 60  TYR A CD1 
327  C CD2 . TYR A 46  ? 0.2659 0.1631 0.3055 0.0065  0.0364  0.0143  60  TYR A CD2 
328  C CE1 . TYR A 46  ? 0.2840 0.1512 0.3170 -0.0017 0.0151  -0.0250 60  TYR A CE1 
329  C CE2 . TYR A 46  ? 0.2972 0.1622 0.3230 0.0006  0.0029  -0.0143 60  TYR A CE2 
330  C CZ  . TYR A 46  ? 0.3099 0.1382 0.3229 0.0231  0.0045  -0.0557 60  TYR A CZ  
331  O OH  . TYR A 46  ? 0.3440 0.1355 0.3829 0.0506  0.0149  -0.0521 60  TYR A OH  
332  N N   . ASP A 47  ? 0.2086 0.1770 0.2330 0.0563  -0.0288 -0.0218 61  ASP A N   
333  C CA  . ASP A 47  ? 0.2277 0.1805 0.2293 0.0589  -0.0293 -0.0129 61  ASP A CA  
334  C C   . ASP A 47  ? 0.2891 0.1790 0.2249 0.0814  -0.0372 -0.0187 61  ASP A C   
335  O O   . ASP A 47  ? 0.2733 0.2019 0.2394 0.0779  -0.0213 0.0040  61  ASP A O   
336  C CB  . ASP A 47  ? 0.1887 0.2191 0.2264 0.0755  -0.0012 -0.0171 61  ASP A CB  
337  C CG  . ASP A 47  ? 0.2148 0.2304 0.2455 0.0861  -0.0011 -0.0235 61  ASP A CG  
338  O OD1 . ASP A 47  ? 0.2361 0.2498 0.2317 0.0933  0.0097  -0.0150 61  ASP A OD1 
339  O OD2 . ASP A 47  ? 0.2150 0.2183 0.2604 0.0602  0.0039  -0.0148 61  ASP A OD2 
340  N N   . SER A 48  ? 0.2814 0.1785 0.2585 0.0830  -0.0141 -0.0609 62  SER A N   
341  C CA  . SER A 48  ? 0.3091 0.1883 0.2615 0.0871  -0.0170 -0.0373 62  SER A CA  
342  C C   . SER A 48  ? 0.3021 0.1985 0.3057 0.0871  -0.0201 -0.0142 62  SER A C   
343  O O   . SER A 48  ? 0.2923 0.2077 0.3516 0.1166  -0.0145 -0.0134 62  SER A O   
344  C CB  . SER A 48  ? 0.3504 0.2096 0.2620 0.0582  0.0426  -0.0448 62  SER A CB  
345  O OG  . SER A 48  ? 0.4368 0.2088 0.2970 0.0259  0.0471  -0.0413 62  SER A OG  
346  N N   . ALA A 49  ? 0.2787 0.1985 0.2836 0.0951  0.0183  0.0023  63  ALA A N   
347  C CA  . ALA A 49  ? 0.2779 0.2078 0.2912 0.0894  -0.0052 -0.0093 63  ALA A CA  
348  C C   . ALA A 49  ? 0.2609 0.2136 0.3029 0.0700  -0.0101 -0.0016 63  ALA A C   
349  O O   . ALA A 49  ? 0.3051 0.2265 0.3319 0.0689  -0.0147 -0.0240 63  ALA A O   
350  C CB  . ALA A 49  ? 0.2932 0.2047 0.2959 0.1025  -0.0082 -0.0247 63  ALA A CB  
351  N N   . PRO A 50  ? 0.2498 0.2237 0.3072 0.0920  0.0033  0.0259  64  PRO A N   
352  C CA  . PRO A 50  ? 0.2379 0.2464 0.2688 0.0860  -0.0078 0.0164  64  PRO A CA  
353  C C   . PRO A 50  ? 0.2918 0.2536 0.2758 0.0963  0.0126  0.0201  64  PRO A C   
354  O O   . PRO A 50  ? 0.2835 0.2526 0.2918 0.1128  -0.0156 0.0028  64  PRO A O   
355  C CB  . PRO A 50  ? 0.2963 0.2548 0.2997 0.0491  0.0155  0.0076  64  PRO A CB  
356  C CG  . PRO A 50  ? 0.3337 0.2301 0.3108 0.0640  0.0187  0.0406  64  PRO A CG  
357  C CD  . PRO A 50  ? 0.3242 0.2216 0.3103 0.0762  0.0250  0.0292  64  PRO A CD  
358  N N   . ALA A 51  ? 0.2996 0.2770 0.2738 0.1246  -0.0021 0.0439  65  ALA A N   
359  C CA  . ALA A 51  ? 0.3014 0.3034 0.3002 0.1246  0.0005  0.0598  65  ALA A CA  
360  C C   . ALA A 51  ? 0.3280 0.2996 0.3299 0.1258  -0.0032 0.0598  65  ALA A C   
361  O O   . ALA A 51  ? 0.3804 0.2838 0.3619 0.1395  0.0171  0.0594  65  ALA A O   
362  C CB  . ALA A 51  ? 0.3151 0.3223 0.2837 0.1047  -0.0034 0.0680  65  ALA A CB  
363  N N   . THR A 52  ? 0.3183 0.3279 0.3617 0.1105  0.0054  0.0740  66  THR A N   
364  C CA  . THR A 52  ? 0.3421 0.3499 0.3691 0.1229  -0.0131 0.1169  66  THR A CA  
365  C C   . THR A 52  ? 0.3684 0.3641 0.3975 0.1273  -0.0356 0.1371  66  THR A C   
366  O O   . THR A 52  ? 0.4430 0.3683 0.4483 0.1209  -0.0186 0.1522  66  THR A O   
367  C CB  . THR A 52  ? 0.3416 0.3746 0.3885 0.1251  0.0009  0.1217  66  THR A CB  
368  O OG1 . THR A 52  ? 0.3724 0.3987 0.4337 0.1309  0.0067  0.1297  66  THR A OG1 
369  C CG2 . THR A 52  ? 0.3467 0.3726 0.3996 0.1180  -0.0018 0.1132  66  THR A CG2 
370  N N   . ASP A 53  ? 0.3729 0.3819 0.3710 0.1209  -0.0209 0.1226  67  ASP A N   
371  C CA  . ASP A 53  ? 0.3865 0.4151 0.3709 0.1166  -0.0390 0.1075  67  ASP A CA  
372  C C   . ASP A 53  ? 0.3804 0.4371 0.3748 0.1470  -0.0322 0.1071  67  ASP A C   
373  O O   . ASP A 53  ? 0.4399 0.4696 0.3975 0.1273  -0.0342 0.0927  67  ASP A O   
374  C CB  . ASP A 53  ? 0.3627 0.4260 0.3609 0.0924  -0.0681 0.0909  67  ASP A CB  
375  C CG  . ASP A 53  ? 0.3536 0.4470 0.3597 0.0597  -0.0562 0.0992  67  ASP A CG  
376  O OD1 . ASP A 53  ? 0.2921 0.4590 0.3322 0.0692  -0.0229 0.0641  67  ASP A OD1 
377  O OD2 . ASP A 53  ? 0.3827 0.4589 0.3942 0.0314  -0.0445 0.1040  67  ASP A OD2 
378  N N   . GLY A 54  ? 0.3472 0.4196 0.3767 0.1681  -0.0092 0.1233  68  GLY A N   
379  C CA  . GLY A 54  ? 0.2952 0.4029 0.3308 0.1611  0.0062  0.1301  68  GLY A CA  
380  C C   . GLY A 54  ? 0.3029 0.3811 0.3277 0.1507  0.0312  0.1154  68  GLY A C   
381  O O   . GLY A 54  ? 0.3594 0.4016 0.3618 0.1474  0.0819  0.1205  68  GLY A O   
382  N N   . SER A 55  ? 0.2846 0.3511 0.2713 0.1059  -0.0355 0.0955  69  SER A N   
383  C CA  . SER A 55  ? 0.2373 0.3083 0.2623 0.0805  -0.0683 0.0665  69  SER A CA  
384  C C   . SER A 55  ? 0.2727 0.2763 0.2545 0.0840  -0.0687 0.0560  69  SER A C   
385  O O   . SER A 55  ? 0.3175 0.2641 0.3119 0.0865  -0.0609 0.0475  69  SER A O   
386  C CB  . SER A 55  ? 0.2923 0.3365 0.2860 0.0550  -0.0992 0.0257  69  SER A CB  
387  O OG  . SER A 55  ? 0.3248 0.3500 0.3250 0.0391  -0.0747 -0.0176 69  SER A OG  
388  N N   . GLY A 56  ? 0.2823 0.2494 0.1861 0.0888  -0.0437 0.0494  70  GLY A N   
389  C CA  . GLY A 56  ? 0.3026 0.2476 0.1925 0.0964  0.0060  0.0075  70  GLY A CA  
390  C C   . GLY A 56  ? 0.2517 0.2077 0.1530 0.0912  0.0058  0.0304  70  GLY A C   
391  O O   . GLY A 56  ? 0.2837 0.1932 0.2099 0.0984  0.0079  0.0225  70  GLY A O   
392  N N   . THR A 57  ? 0.2367 0.2070 0.1584 0.1017  -0.0356 0.0110  71  THR A N   
393  C CA  . THR A 57  ? 0.2935 0.1736 0.1725 0.0781  -0.0040 0.0036  71  THR A CA  
394  C C   . THR A 57  ? 0.3105 0.1675 0.1968 0.0708  0.0103  -0.0060 71  THR A C   
395  O O   . THR A 57  ? 0.2916 0.1747 0.2061 0.0748  -0.0109 -0.0214 71  THR A O   
396  C CB  . THR A 57  ? 0.3214 0.1431 0.1943 0.0837  -0.0451 -0.0071 71  THR A CB  
397  O OG1 . THR A 57  ? 0.3398 0.1560 0.2407 0.0999  -0.0378 -0.0151 71  THR A OG1 
398  C CG2 . THR A 57  ? 0.3325 0.1490 0.2246 0.0992  -0.0529 0.0123  71  THR A CG2 
399  N N   . ALA A 58  ? 0.2587 0.1449 0.1595 0.0986  -0.0201 -0.0029 72  ALA A N   
400  C CA  . ALA A 58  ? 0.2575 0.1431 0.1844 0.0527  -0.0274 0.0258  72  ALA A CA  
401  C C   . ALA A 58  ? 0.2805 0.1716 0.1863 0.0490  0.0009  0.0082  72  ALA A C   
402  O O   . ALA A 58  ? 0.2726 0.2105 0.2097 0.0567  -0.0085 -0.0160 72  ALA A O   
403  C CB  . ALA A 58  ? 0.2822 0.1278 0.2035 0.0461  -0.0294 0.0187  72  ALA A CB  
404  N N   . LEU A 59  ? 0.2546 0.1742 0.1670 0.0740  -0.0025 -0.0022 73  LEU A N   
405  C CA  . LEU A 59  ? 0.2357 0.1878 0.1604 0.0717  -0.0349 0.0262  73  LEU A CA  
406  C C   . LEU A 59  ? 0.2232 0.1670 0.1434 0.0526  -0.0604 0.0167  73  LEU A C   
407  O O   . LEU A 59  ? 0.2552 0.1967 0.1568 0.0355  -0.0257 -0.0225 73  LEU A O   
408  C CB  . LEU A 59  ? 0.2907 0.2028 0.2143 0.0634  0.0612  0.0552  73  LEU A CB  
409  C CG  . LEU A 59  ? 0.3912 0.2236 0.3405 0.0207  0.1402  0.0629  73  LEU A CG  
410  C CD1 . LEU A 59  ? 0.4031 0.2605 0.3928 0.0161  0.1129  0.0435  73  LEU A CD1 
411  C CD2 . LEU A 59  ? 0.4579 0.2279 0.3753 -0.0266 0.2018  0.0591  73  LEU A CD2 
412  N N   . GLY A 60  ? 0.1927 0.1302 0.1626 0.0386  -0.0368 0.0187  74  GLY A N   
413  C CA  . GLY A 60  ? 0.1850 0.1149 0.1607 0.0402  -0.0340 0.0372  74  GLY A CA  
414  C C   . GLY A 60  ? 0.1760 0.1282 0.1524 0.0324  -0.0094 0.0096  74  GLY A C   
415  O O   . GLY A 60  ? 0.1880 0.1533 0.1707 0.0355  0.0153  -0.0141 74  GLY A O   
416  N N   . TRP A 61  ? 0.1648 0.1444 0.1903 0.0247  -0.0167 0.0101  75  TRP A N   
417  C CA  . TRP A 61  ? 0.1628 0.1403 0.1756 -0.0065 -0.0189 0.0108  75  TRP A CA  
418  C C   . TRP A 61  ? 0.1650 0.1447 0.1672 0.0007  -0.0246 -0.0041 75  TRP A C   
419  O O   . TRP A 61  ? 0.1890 0.1483 0.1495 -0.0113 -0.0153 -0.0098 75  TRP A O   
420  C CB  . TRP A 61  ? 0.1873 0.1305 0.1713 -0.0040 0.0265  -0.0126 75  TRP A CB  
421  C CG  . TRP A 61  ? 0.1701 0.1373 0.1597 -0.0243 0.0150  -0.0118 75  TRP A CG  
422  C CD1 . TRP A 61  ? 0.1863 0.1316 0.1771 -0.0041 0.0415  -0.0060 75  TRP A CD1 
423  C CD2 . TRP A 61  ? 0.1985 0.1491 0.1622 -0.0224 0.0172  0.0035  75  TRP A CD2 
424  N NE1 . TRP A 61  ? 0.2199 0.1403 0.1427 0.0067  0.0302  0.0066  75  TRP A NE1 
425  C CE2 . TRP A 61  ? 0.2031 0.1471 0.1405 -0.0074 -0.0022 0.0217  75  TRP A CE2 
426  C CE3 . TRP A 61  ? 0.2012 0.1609 0.1505 0.0034  0.0129  -0.0060 75  TRP A CE3 
427  C CZ2 . TRP A 61  ? 0.2045 0.1527 0.1582 -0.0247 -0.0150 0.0269  75  TRP A CZ2 
428  C CZ3 . TRP A 61  ? 0.2191 0.1536 0.1958 0.0265  0.0337  -0.0009 75  TRP A CZ3 
429  C CH2 . TRP A 61  ? 0.2083 0.1778 0.1745 -0.0210 -0.0195 0.0120  75  TRP A CH2 
430  N N   . THR A 62  ? 0.1456 0.1437 0.1447 -0.0068 -0.0078 0.0129  76  THR A N   
431  C CA  . THR A 62  ? 0.1229 0.1343 0.1655 0.0398  0.0086  0.0242  76  THR A CA  
432  C C   . THR A 62  ? 0.1406 0.1481 0.1862 0.0251  0.0019  0.0045  76  THR A C   
433  O O   . THR A 62  ? 0.1623 0.1545 0.2192 0.0296  0.0154  -0.0047 76  THR A O   
434  C CB  . THR A 62  ? 0.1462 0.1425 0.1408 0.0511  0.0122  0.0313  76  THR A CB  
435  O OG1 . THR A 62  ? 0.1475 0.1652 0.1668 -0.0078 -0.0072 -0.0067 76  THR A OG1 
436  C CG2 . THR A 62  ? 0.1625 0.1452 0.1746 0.0306  0.0199  0.0351  76  THR A CG2 
437  N N   . VAL A 63  ? 0.1315 0.1889 0.1800 0.0129  -0.0175 0.0083  77  VAL A N   
438  C CA  . VAL A 63  ? 0.1040 0.1556 0.1703 0.0196  -0.0185 0.0228  77  VAL A CA  
439  C C   . VAL A 63  ? 0.1573 0.1350 0.1599 0.0152  -0.0306 0.0030  77  VAL A C   
440  O O   . VAL A 63  ? 0.1726 0.1413 0.1470 -0.0098 -0.0217 -0.0196 77  VAL A O   
441  C CB  . VAL A 63  ? 0.1436 0.1597 0.1957 0.0136  -0.0022 0.0184  77  VAL A CB  
442  C CG1 . VAL A 63  ? 0.1912 0.1540 0.2021 0.0121  0.0130  0.0210  77  VAL A CG1 
443  C CG2 . VAL A 63  ? 0.1624 0.1508 0.2024 -0.0121 -0.0199 0.0016  77  VAL A CG2 
444  N N   . ALA A 64  ? 0.1457 0.1403 0.1920 0.0036  -0.0261 0.0233  78  ALA A N   
445  C CA  . ALA A 64  ? 0.1283 0.1551 0.1580 0.0067  0.0034  0.0512  78  ALA A CA  
446  C C   . ALA A 64  ? 0.1268 0.1844 0.1998 -0.0052 -0.0269 -0.0017 78  ALA A C   
447  O O   . ALA A 64  ? 0.1578 0.1799 0.2275 -0.0124 -0.0187 -0.0107 78  ALA A O   
448  C CB  . ALA A 64  ? 0.1639 0.1875 0.1500 -0.0113 -0.0254 0.0421  78  ALA A CB  
449  N N   . TRP A 65  ? 0.1248 0.2069 0.2167 0.0141  -0.0268 0.0120  79  TRP A N   
450  C CA  . TRP A 65  ? 0.1447 0.2016 0.1736 0.0105  -0.0097 -0.0042 79  TRP A CA  
451  C C   . TRP A 65  ? 0.1448 0.2091 0.1896 -0.0016 -0.0268 -0.0079 79  TRP A C   
452  O O   . TRP A 65  ? 0.1500 0.1999 0.2106 -0.0116 -0.0196 0.0102  79  TRP A O   
453  C CB  . TRP A 65  ? 0.1636 0.1673 0.1853 0.0309  -0.0252 -0.0146 79  TRP A CB  
454  C CG  . TRP A 65  ? 0.1737 0.1483 0.1907 0.0116  0.0026  -0.0013 79  TRP A CG  
455  C CD1 . TRP A 65  ? 0.2170 0.1402 0.1850 0.0198  0.0076  -0.0202 79  TRP A CD1 
456  C CD2 . TRP A 65  ? 0.2024 0.1462 0.1838 -0.0336 0.0171  0.0155  79  TRP A CD2 
457  N NE1 . TRP A 65  ? 0.2283 0.1261 0.1645 0.0119  0.0075  0.0145  79  TRP A NE1 
458  C CE2 . TRP A 65  ? 0.1880 0.1278 0.1611 0.0203  -0.0285 0.0200  79  TRP A CE2 
459  C CE3 . TRP A 65  ? 0.1922 0.1558 0.1865 -0.0196 0.0117  0.0074  79  TRP A CE3 
460  C CZ2 . TRP A 65  ? 0.1778 0.1625 0.2024 0.0261  0.0158  0.0128  79  TRP A CZ2 
461  C CZ3 . TRP A 65  ? 0.1846 0.1596 0.2181 0.0098  -0.0010 0.0087  79  TRP A CZ3 
462  C CH2 . TRP A 65  ? 0.1535 0.1709 0.2240 -0.0060 0.0157  0.0151  79  TRP A CH2 
463  N N   . LYS A 66  ? 0.1685 0.2325 0.1691 -0.0189 -0.0335 -0.0113 80  LYS A N   
464  C CA  . LYS A 66  ? 0.1683 0.2426 0.1762 -0.0417 -0.0036 -0.0134 80  LYS A CA  
465  C C   . LYS A 66  ? 0.1505 0.2213 0.2037 -0.0309 0.0084  -0.0286 80  LYS A C   
466  O O   . LYS A 66  ? 0.1681 0.2282 0.2275 -0.0297 0.0316  -0.0331 80  LYS A O   
467  C CB  . LYS A 66  ? 0.1671 0.2607 0.1648 -0.0389 -0.0049 -0.0382 80  LYS A CB  
468  C CG  . LYS A 66  ? 0.1935 0.2904 0.1884 -0.0439 0.0246  0.0162  80  LYS A CG  
469  C CD  . LYS A 66  ? 0.2503 0.3165 0.1986 -0.0406 -0.0141 0.0116  80  LYS A CD  
470  C CE  . LYS A 66  ? 0.3250 0.3183 0.1994 -0.0337 -0.0171 -0.0221 80  LYS A CE  
471  N NZ  . LYS A 66  ? 0.3684 0.3253 0.2233 -0.0417 -0.0108 -0.0465 80  LYS A NZ  
472  N N   . ASN A 67  ? 0.1608 0.1986 0.2035 -0.0537 -0.0184 -0.0177 81  ASN A N   
473  C CA  . ASN A 67  ? 0.1676 0.2095 0.2306 -0.0571 0.0061  -0.0199 81  ASN A CA  
474  C C   . ASN A 67  ? 0.2009 0.2404 0.2484 -0.0496 -0.0260 -0.0281 81  ASN A C   
475  O O   . ASN A 67  ? 0.2019 0.2354 0.2869 -0.0505 -0.0303 0.0064  81  ASN A O   
476  C CB  . ASN A 67  ? 0.1989 0.2154 0.2328 -0.0427 0.0226  -0.0168 81  ASN A CB  
477  C CG  . ASN A 67  ? 0.1899 0.2245 0.2258 -0.0106 -0.0153 -0.0201 81  ASN A CG  
478  O OD1 . ASN A 67  ? 0.1851 0.2314 0.2516 -0.0088 -0.0170 -0.0185 81  ASN A OD1 
479  N ND2 . ASN A 67  ? 0.2085 0.2442 0.2266 -0.0214 -0.0175 -0.0239 81  ASN A ND2 
480  N N   . ASN A 68  ? 0.1722 0.2780 0.2840 -0.0341 0.0000  -0.0456 82  ASN A N   
481  C CA  . ASN A 68  ? 0.1925 0.3063 0.3112 -0.0110 -0.0465 -0.0649 82  ASN A CA  
482  C C   . ASN A 68  ? 0.2062 0.3018 0.3301 -0.0032 -0.0288 -0.0524 82  ASN A C   
483  O O   . ASN A 68  ? 0.2425 0.3384 0.3438 -0.0227 -0.0501 -0.0499 82  ASN A O   
484  C CB  . ASN A 68  ? 0.2918 0.3532 0.3541 -0.0095 -0.0158 -0.0864 82  ASN A CB  
485  C CG  . ASN A 68  ? 0.4207 0.4013 0.3747 -0.0212 0.0116  -0.1003 82  ASN A CG  
486  O OD1 . ASN A 68  ? 0.4354 0.4308 0.3573 -0.0270 0.0121  -0.0998 82  ASN A OD1 
487  N ND2 . ASN A 68  ? 0.5054 0.4173 0.4010 -0.0109 0.0176  -0.1152 82  ASN A ND2 
488  N N   . TYR A 69  ? 0.1936 0.2702 0.3183 -0.0137 0.0423  -0.0361 83  TYR A N   
489  C CA  . TYR A 69  ? 0.2051 0.2679 0.3723 -0.0317 0.0726  -0.0168 83  TYR A CA  
490  C C   . TYR A 69  ? 0.2015 0.2567 0.3796 -0.0537 0.0325  -0.0061 83  TYR A C   
491  O O   . TYR A 69  ? 0.2094 0.2604 0.4268 -0.0520 0.0122  -0.0003 83  TYR A O   
492  C CB  . TYR A 69  ? 0.2434 0.2632 0.4158 -0.0628 0.0978  -0.0352 83  TYR A CB  
493  C CG  . TYR A 69  ? 0.2077 0.2493 0.4384 -0.0699 0.0540  -0.0778 83  TYR A CG  
494  C CD1 . TYR A 69  ? 0.2478 0.2677 0.4612 -0.0673 0.0659  -0.0739 83  TYR A CD1 
495  C CD2 . TYR A 69  ? 0.2245 0.2547 0.4903 -0.0530 0.0315  -0.0704 83  TYR A CD2 
496  C CE1 . TYR A 69  ? 0.2370 0.2723 0.4865 -0.0552 0.0282  -0.0591 83  TYR A CE1 
497  C CE2 . TYR A 69  ? 0.2067 0.2643 0.5200 -0.0720 0.0282  -0.0522 83  TYR A CE2 
498  C CZ  . TYR A 69  ? 0.2079 0.2737 0.5089 -0.0764 0.0199  -0.0564 83  TYR A CZ  
499  O OH  . TYR A 69  ? 0.2478 0.2998 0.5293 -0.0721 0.0266  -0.0350 83  TYR A OH  
500  N N   . ARG A 70  ? 0.1475 0.2595 0.3493 -0.0637 0.0099  0.0085  84  ARG A N   
501  C CA  . ARG A 70  ? 0.1967 0.2853 0.3265 -0.0710 0.0232  -0.0169 84  ARG A CA  
502  C C   . ARG A 70  ? 0.1425 0.2589 0.2770 -0.0515 -0.0106 -0.0107 84  ARG A C   
503  O O   . ARG A 70  ? 0.1225 0.2620 0.2567 -0.0026 0.0021  0.0067  84  ARG A O   
504  C CB  . ARG A 70  ? 0.2467 0.3431 0.3383 -0.0610 0.0560  -0.0264 84  ARG A CB  
505  C CG  . ARG A 70  ? 0.3332 0.3942 0.3362 -0.0491 0.0937  -0.0211 84  ARG A CG  
506  C CD  . ARG A 70  ? 0.4232 0.4224 0.3508 -0.0203 0.0973  -0.0252 84  ARG A CD  
507  N NE  . ARG A 70  ? 0.5032 0.4487 0.3992 -0.0028 0.0981  -0.0100 84  ARG A NE  
508  C CZ  . ARG A 70  ? 0.5442 0.4701 0.4560 0.0026  0.1003  -0.0002 84  ARG A CZ  
509  N NH1 . ARG A 70  ? 0.5453 0.4787 0.4581 0.0044  0.0442  0.0119  84  ARG A NH1 
510  N NH2 . ARG A 70  ? 0.5645 0.4785 0.4939 -0.0097 0.1343  -0.0006 84  ARG A NH2 
511  N N   . ASN A 71  ? 0.1541 0.2362 0.2622 -0.0817 -0.0318 -0.0066 85  ASN A N   
512  C CA  . ASN A 71  ? 0.1175 0.2458 0.2508 -0.0207 -0.0201 0.0231  85  ASN A CA  
513  C C   . ASN A 71  ? 0.1394 0.2216 0.2395 -0.0015 -0.0292 0.0152  85  ASN A C   
514  O O   . ASN A 71  ? 0.2292 0.2484 0.2454 0.0109  -0.0547 -0.0163 85  ASN A O   
515  C CB  . ASN A 71  ? 0.1491 0.2594 0.2474 -0.0147 -0.0547 0.0220  85  ASN A CB  
516  C CG  . ASN A 71  ? 0.1599 0.2398 0.1981 -0.0229 -0.0543 0.0062  85  ASN A CG  
517  O OD1 . ASN A 71  ? 0.1726 0.2337 0.1935 -0.0013 -0.0345 0.0185  85  ASN A OD1 
518  N ND2 . ASN A 71  ? 0.2226 0.2268 0.1909 -0.0104 -0.0391 0.0000  85  ASN A ND2 
519  N N   . ALA A 72  ? 0.1262 0.1982 0.2205 -0.0061 -0.0123 0.0095  86  ALA A N   
520  C CA  . ALA A 72  ? 0.1782 0.1806 0.2253 -0.0019 -0.0357 0.0395  86  ALA A CA  
521  C C   . ALA A 72  ? 0.1741 0.1851 0.2241 -0.0148 -0.0357 0.0260  86  ALA A C   
522  O O   . ALA A 72  ? 0.1715 0.2056 0.2554 -0.0186 -0.0344 -0.0019 86  ALA A O   
523  C CB  . ALA A 72  ? 0.1808 0.1946 0.2275 0.0027  -0.0314 0.0360  86  ALA A CB  
524  N N   . HIS A 73  ? 0.1831 0.1838 0.1867 0.0011  -0.0095 0.0413  87  HIS A N   
525  C CA  . HIS A 73  ? 0.1860 0.1895 0.1844 0.0045  -0.0582 0.0324  87  HIS A CA  
526  C C   . HIS A 73  ? 0.1906 0.1857 0.1707 -0.0214 -0.0393 0.0106  87  HIS A C   
527  O O   . HIS A 73  ? 0.1964 0.1800 0.2126 -0.0295 -0.0328 0.0349  87  HIS A O   
528  C CB  . HIS A 73  ? 0.1698 0.2031 0.1864 -0.0007 -0.0381 0.0292  87  HIS A CB  
529  C CG  . HIS A 73  ? 0.1935 0.2420 0.1773 0.0386  -0.0396 0.0341  87  HIS A CG  
530  N ND1 . HIS A 73  ? 0.2080 0.2592 0.1770 0.0256  -0.0575 0.0082  87  HIS A ND1 
531  C CD2 . HIS A 73  ? 0.1954 0.2577 0.2198 0.0603  -0.0406 0.0282  87  HIS A CD2 
532  C CE1 . HIS A 73  ? 0.2050 0.2713 0.2000 0.0085  -0.0425 0.0003  87  HIS A CE1 
533  N NE2 . HIS A 73  ? 0.2248 0.2751 0.2201 0.0310  -0.0364 0.0031  87  HIS A NE2 
534  N N   . SER A 74  ? 0.1793 0.1718 0.1560 -0.0264 -0.0147 0.0113  88  SER A N   
535  C CA  . SER A 74  ? 0.1713 0.1668 0.1517 -0.0152 -0.0267 0.0342  88  SER A CA  
536  C C   . SER A 74  ? 0.1041 0.1394 0.1482 -0.0073 -0.0366 0.0109  88  SER A C   
537  O O   . SER A 74  ? 0.1544 0.1448 0.1843 0.0030  -0.0202 -0.0075 88  SER A O   
538  C CB  . SER A 74  ? 0.2085 0.1676 0.1727 -0.0333 0.0238  0.0502  88  SER A CB  
539  O OG  . SER A 74  ? 0.1941 0.1728 0.1950 -0.0062 0.0041  0.0249  88  SER A OG  
540  N N   . ALA A 75  ? 0.1276 0.1307 0.1427 0.0042  -0.0249 0.0242  89  ALA A N   
541  C CA  . ALA A 75  ? 0.1629 0.1409 0.1136 0.0259  -0.0171 0.0254  89  ALA A CA  
542  C C   . ALA A 75  ? 0.1366 0.1390 0.1186 0.0081  -0.0266 -0.0028 89  ALA A C   
543  O O   . ALA A 75  ? 0.1659 0.1559 0.1390 -0.0290 -0.0211 -0.0298 89  ALA A O   
544  C CB  . ALA A 75  ? 0.1787 0.1727 0.1285 0.0147  0.0133  0.0164  89  ALA A CB  
545  N N   . THR A 76  ? 0.1439 0.1184 0.1325 0.0081  0.0004  0.0218  90  THR A N   
546  C CA  . THR A 76  ? 0.1406 0.1214 0.1427 0.0151  0.0025  0.0316  90  THR A CA  
547  C C   . THR A 76  ? 0.1606 0.1237 0.1215 0.0197  -0.0132 0.0069  90  THR A C   
548  O O   . THR A 76  ? 0.1786 0.1413 0.1228 0.0083  -0.0077 -0.0174 90  THR A O   
549  C CB  . THR A 76  ? 0.1226 0.1365 0.1371 0.0007  -0.0136 -0.0015 90  THR A CB  
550  O OG1 . THR A 76  ? 0.1530 0.1224 0.1731 0.0075  0.0070  -0.0003 90  THR A OG1 
551  C CG2 . THR A 76  ? 0.1605 0.1472 0.1665 -0.0428 -0.0019 0.0057  90  THR A CG2 
552  N N   . THR A 77  ? 0.1529 0.1463 0.1090 -0.0005 -0.0285 0.0280  91  THR A N   
553  C CA  . THR A 77  ? 0.1619 0.1544 0.1476 -0.0133 -0.0181 0.0444  91  THR A CA  
554  C C   . THR A 77  ? 0.2028 0.1628 0.1502 -0.0094 0.0224  0.0130  91  THR A C   
555  O O   . THR A 77  ? 0.2319 0.1793 0.1261 0.0146  -0.0183 0.0154  91  THR A O   
556  C CB  . THR A 77  ? 0.1876 0.1646 0.1631 -0.0661 0.0049  0.0194  91  THR A CB  
557  O OG1 . THR A 77  ? 0.1826 0.1488 0.1608 -0.0382 -0.0308 0.0160  91  THR A OG1 
558  C CG2 . THR A 77  ? 0.2266 0.1831 0.1645 -0.0300 -0.0043 0.0470  91  THR A CG2 
559  N N   . TRP A 78  ? 0.1781 0.1309 0.1392 0.0205  -0.0092 0.0073  92  TRP A N   
560  C CA  . TRP A 78  ? 0.1619 0.1446 0.1635 0.0147  -0.0080 0.0098  92  TRP A CA  
561  C C   . TRP A 78  ? 0.1617 0.1414 0.1532 0.0412  0.0007  0.0058  92  TRP A C   
562  O O   . TRP A 78  ? 0.1964 0.1262 0.1554 0.0279  0.0074  -0.0044 92  TRP A O   
563  C CB  . TRP A 78  ? 0.1670 0.1338 0.1572 0.0275  0.0083  0.0248  92  TRP A CB  
564  C CG  . TRP A 78  ? 0.1572 0.1602 0.1298 0.0258  0.0018  -0.0051 92  TRP A CG  
565  C CD1 . TRP A 78  ? 0.1550 0.1460 0.1551 0.0419  0.0038  -0.0111 92  TRP A CD1 
566  C CD2 . TRP A 78  ? 0.1827 0.1561 0.1442 0.0383  -0.0306 -0.0085 92  TRP A CD2 
567  N NE1 . TRP A 78  ? 0.1775 0.1289 0.1654 0.0366  -0.0026 0.0139  92  TRP A NE1 
568  C CE2 . TRP A 78  ? 0.1902 0.1431 0.1445 0.0326  0.0038  0.0074  92  TRP A CE2 
569  C CE3 . TRP A 78  ? 0.1958 0.1450 0.1748 0.0522  -0.0225 0.0237  92  TRP A CE3 
570  C CZ2 . TRP A 78  ? 0.1959 0.1324 0.1508 0.0292  0.0153  0.0208  92  TRP A CZ2 
571  C CZ3 . TRP A 78  ? 0.1837 0.1381 0.1848 0.0400  0.0088  0.0207  92  TRP A CZ3 
572  C CH2 . TRP A 78  ? 0.1729 0.1233 0.1523 0.0299  0.0336  0.0219  92  TRP A CH2 
573  N N   . SER A 79  ? 0.1588 0.1399 0.1848 0.0387  -0.0252 0.0070  93  SER A N   
574  C CA  . SER A 79  ? 0.1352 0.1476 0.1823 0.0300  -0.0126 0.0089  93  SER A CA  
575  C C   . SER A 79  ? 0.1648 0.1350 0.1805 0.0566  -0.0136 0.0191  93  SER A C   
576  O O   . SER A 79  ? 0.2033 0.1474 0.1687 0.0601  -0.0027 0.0013  93  SER A O   
577  C CB  . SER A 79  ? 0.1442 0.1913 0.2207 0.0192  0.0072  0.0235  93  SER A CB  
578  O OG  . SER A 79  ? 0.1562 0.1962 0.2580 0.0087  -0.0171 0.0146  93  SER A OG  
579  N N   . GLY A 80  ? 0.1606 0.1483 0.1865 0.0458  -0.0033 0.0223  94  GLY A N   
580  C CA  . GLY A 80  ? 0.1958 0.1541 0.1781 0.0645  -0.0156 0.0247  94  GLY A CA  
581  C C   . GLY A 80  ? 0.1932 0.1517 0.1920 0.0561  -0.0318 0.0337  94  GLY A C   
582  O O   . GLY A 80  ? 0.1708 0.1576 0.1940 0.0584  -0.0064 -0.0016 94  GLY A O   
583  N N   . GLN A 81  ? 0.2335 0.1417 0.2238 0.0864  -0.0228 0.0427  95  GLN A N   
584  C CA  . GLN A 81  ? 0.2204 0.1440 0.2033 0.0869  -0.0297 0.0392  95  GLN A CA  
585  C C   . GLN A 81  ? 0.2657 0.1431 0.2073 0.0813  0.0019  0.0058  95  GLN A C   
586  O O   . GLN A 81  ? 0.2469 0.1272 0.2163 0.0734  0.0038  -0.0038 95  GLN A O   
587  C CB  . GLN A 81  ? 0.2483 0.1665 0.1909 0.0869  -0.0452 0.0226  95  GLN A CB  
588  C CG  . GLN A 81  ? 0.2994 0.1840 0.1914 0.0766  -0.0345 -0.0131 95  GLN A CG  
589  C CD  . GLN A 81  ? 0.3042 0.2081 0.2000 0.0949  -0.0386 -0.0250 95  GLN A CD  
590  O OE1 . GLN A 81  ? 0.2610 0.2129 0.2047 0.0793  -0.0637 -0.0026 95  GLN A OE1 
591  N NE2 . GLN A 81  ? 0.3353 0.2336 0.2271 0.0747  -0.0330 -0.0213 95  GLN A NE2 
592  N N   . TYR A 82  ? 0.2987 0.1233 0.2237 0.0759  -0.0172 0.0399  96  TYR A N   
593  C CA  . TYR A 82  ? 0.3350 0.1235 0.2343 0.0749  -0.0115 0.0279  96  TYR A CA  
594  C C   . TYR A 82  ? 0.3456 0.1732 0.2444 0.0779  -0.0022 0.0093  96  TYR A C   
595  O O   . TYR A 82  ? 0.2932 0.1796 0.2244 0.0754  -0.0207 0.0192  96  TYR A O   
596  C CB  . TYR A 82  ? 0.3358 0.1509 0.2160 0.0940  -0.0216 0.0063  96  TYR A CB  
597  C CG  . TYR A 82  ? 0.3387 0.1507 0.2238 0.0954  -0.0328 0.0193  96  TYR A CG  
598  C CD1 . TYR A 82  ? 0.3241 0.1540 0.2144 0.0624  -0.0503 0.0102  96  TYR A CD1 
599  C CD2 . TYR A 82  ? 0.3672 0.1493 0.2465 0.0739  -0.0147 0.0147  96  TYR A CD2 
600  C CE1 . TYR A 82  ? 0.3502 0.1700 0.2702 0.0847  -0.0232 0.0185  96  TYR A CE1 
601  C CE2 . TYR A 82  ? 0.4109 0.1618 0.2895 0.0732  -0.0077 0.0089  96  TYR A CE2 
602  C CZ  . TYR A 82  ? 0.4307 0.1580 0.2835 0.0922  0.0091  0.0243  96  TYR A CZ  
603  O OH  . TYR A 82  ? 0.4865 0.1489 0.3129 0.0658  -0.0254 0.0098  96  TYR A OH  
604  N N   . VAL A 83  ? 0.3677 0.1876 0.2276 0.1117  -0.0209 0.0559  97  VAL A N   
605  C CA  . VAL A 83  ? 0.4358 0.2449 0.2886 0.0740  -0.0233 0.0461  97  VAL A CA  
606  C C   . VAL A 83  ? 0.4809 0.2720 0.3179 0.1042  0.0127  0.0869  97  VAL A C   
607  O O   . VAL A 83  ? 0.4887 0.2750 0.3506 0.0864  0.0663  0.1187  97  VAL A O   
608  C CB  . VAL A 83  ? 0.4677 0.2480 0.2884 0.0554  -0.0823 0.0276  97  VAL A CB  
609  C CG1 . VAL A 83  ? 0.4223 0.2598 0.3038 0.0364  -0.0905 0.0127  97  VAL A CG1 
610  C CG2 . VAL A 83  ? 0.5260 0.2718 0.3186 0.0116  -0.0782 0.0122  97  VAL A CG2 
611  N N   . GLY A 84  ? 0.4902 0.3215 0.3364 0.1138  0.0067  0.0867  98  GLY A N   
612  C CA  . GLY A 84  ? 0.5438 0.3519 0.3505 0.1167  0.0157  0.1037  98  GLY A CA  
613  C C   . GLY A 84  ? 0.5780 0.3848 0.3973 0.1188  0.0192  0.1265  98  GLY A C   
614  O O   . GLY A 84  ? 0.5998 0.3936 0.4373 0.1209  0.0149  0.1184  98  GLY A O   
615  N N   . GLY A 85  ? 0.5916 0.4144 0.4087 0.1140  0.0341  0.1482  99  GLY A N   
616  C CA  . GLY A 85  ? 0.6038 0.4357 0.4146 0.1222  0.0215  0.1711  99  GLY A CA  
617  C C   . GLY A 85  ? 0.6384 0.4496 0.4440 0.1494  0.0549  0.1711  99  GLY A C   
618  O O   . GLY A 85  ? 0.6511 0.4716 0.4817 0.1640  0.0858  0.1345  99  GLY A O   
619  N N   . ALA A 86  ? 0.6656 0.4377 0.4706 0.1388  0.0962  0.1785  100 ALA A N   
620  C CA  . ALA A 86  ? 0.6746 0.4331 0.4753 0.1276  0.0875  0.1961  100 ALA A CA  
621  C C   . ALA A 86  ? 0.6852 0.4232 0.4630 0.0853  0.0704  0.2007  100 ALA A C   
622  O O   . ALA A 86  ? 0.7172 0.4420 0.4981 0.0764  0.0477  0.1895  100 ALA A O   
623  C CB  . ALA A 86  ? 0.6930 0.4250 0.4771 0.1514  0.0743  0.2252  100 ALA A CB  
624  N N   . GLU A 87  ? 0.6321 0.3807 0.4129 0.0815  0.0761  0.2088  101 GLU A N   
625  C CA  . GLU A 87  ? 0.5502 0.3771 0.3938 0.0869  0.0702  0.1706  101 GLU A CA  
626  C C   . GLU A 87  ? 0.4647 0.3304 0.3724 0.0877  0.0526  0.1534  101 GLU A C   
627  O O   . GLU A 87  ? 0.4446 0.3348 0.3883 0.0589  0.0395  0.1304  101 GLU A O   
628  C CB  . GLU A 87  ? 0.5784 0.4276 0.4214 0.0795  0.0951  0.1676  101 GLU A CB  
629  C CG  . GLU A 87  ? 0.5988 0.4598 0.4503 0.0744  0.0883  0.1465  101 GLU A CG  
630  C CD  . GLU A 87  ? 0.6198 0.4888 0.4815 0.0606  0.0707  0.1233  101 GLU A CD  
631  O OE1 . GLU A 87  ? 0.6267 0.5053 0.4991 0.0539  0.0686  0.1002  101 GLU A OE1 
632  O OE2 . GLU A 87  ? 0.6267 0.4989 0.5008 0.0721  0.0574  0.1241  101 GLU A OE2 
633  N N   . ALA A 88  ? 0.4665 0.3018 0.3570 0.0932  0.0700  0.1581  102 ALA A N   
634  C CA  . ALA A 88  ? 0.5306 0.2794 0.3177 0.1056  0.0875  0.1239  102 ALA A CA  
635  C C   . ALA A 88  ? 0.4530 0.2439 0.2897 0.1213  0.0637  0.1147  102 ALA A C   
636  O O   . ALA A 88  ? 0.4734 0.2365 0.2913 0.1210  0.0828  0.0803  102 ALA A O   
637  C CB  . ALA A 88  ? 0.5843 0.2725 0.3330 0.1016  0.0813  0.1226  102 ALA A CB  
638  N N   . ARG A 89  ? 0.4163 0.2301 0.2778 0.1264  0.0368  0.0996  103 ARG A N   
639  C CA  . ARG A 89  ? 0.4205 0.2132 0.2645 0.1160  0.0302  0.0765  103 ARG A CA  
640  C C   . ARG A 89  ? 0.3527 0.1912 0.2357 0.1023  0.0153  0.0614  103 ARG A C   
641  O O   . ARG A 89  ? 0.3259 0.2078 0.2588 0.1294  0.0234  0.0730  103 ARG A O   
642  C CB  . ARG A 89  ? 0.4745 0.2446 0.3007 0.0839  0.0356  0.0315  103 ARG A CB  
643  C CG  . ARG A 89  ? 0.5147 0.2546 0.3214 0.0447  0.0339  0.0524  103 ARG A CG  
644  C CD  . ARG A 89  ? 0.5173 0.2627 0.3242 0.0323  0.0324  0.0701  103 ARG A CD  
645  N NE  . ARG A 89  ? 0.5164 0.2788 0.3379 0.0070  0.0250  0.0500  103 ARG A NE  
646  C CZ  . ARG A 89  ? 0.5422 0.2849 0.3535 -0.0473 0.0145  0.0266  103 ARG A CZ  
647  N NH1 . ARG A 89  ? 0.5367 0.2757 0.3594 -0.0547 0.0059  0.0088  103 ARG A NH1 
648  N NH2 . ARG A 89  ? 0.5724 0.2893 0.3768 -0.0865 0.0120  0.0179  103 ARG A NH2 
649  N N   . ILE A 90  ? 0.3117 0.1276 0.2004 0.0283  0.0477  0.0411  104 ILE A N   
650  C CA  . ILE A 90  ? 0.3097 0.1334 0.1948 0.0292  -0.0060 0.0326  104 ILE A CA  
651  C C   . ILE A 90  ? 0.3116 0.1420 0.1806 0.0258  -0.0359 0.0039  104 ILE A C   
652  O O   . ILE A 90  ? 0.2850 0.1524 0.2244 0.0464  -0.0352 0.0193  104 ILE A O   
653  C CB  . ILE A 90  ? 0.3027 0.1236 0.1953 0.0110  -0.0061 0.0008  104 ILE A CB  
654  C CG1 . ILE A 90  ? 0.3725 0.1203 0.1780 0.0026  -0.0029 -0.0069 104 ILE A CG1 
655  C CG2 . ILE A 90  ? 0.2865 0.1544 0.2271 0.0291  -0.0265 0.0021  104 ILE A CG2 
656  C CD1 . ILE A 90  ? 0.4262 0.1299 0.1738 -0.0132 0.0155  0.0058  104 ILE A CD1 
657  N N   . ASN A 91  ? 0.2905 0.1439 0.2011 0.0082  -0.0215 0.0239  105 ASN A N   
658  C CA  . ASN A 91  ? 0.2644 0.1512 0.1780 0.0112  -0.0126 0.0467  105 ASN A CA  
659  C C   . ASN A 91  ? 0.2306 0.1817 0.1428 -0.0130 -0.0040 0.0477  105 ASN A C   
660  O O   . ASN A 91  ? 0.2479 0.2192 0.1816 0.0258  0.0291  0.0623  105 ASN A O   
661  C CB  . ASN A 91  ? 0.2832 0.2180 0.1998 0.0526  -0.0157 0.0819  105 ASN A CB  
662  C CG  . ASN A 91  ? 0.3250 0.2946 0.2546 0.0288  -0.0152 0.1181  105 ASN A CG  
663  O OD1 . ASN A 91  ? 0.3554 0.3217 0.2678 0.0243  0.0277  0.1195  105 ASN A OD1 
664  N ND2 . ASN A 91  ? 0.3470 0.3368 0.3025 0.0278  -0.0608 0.1294  105 ASN A ND2 
665  N N   . THR A 92  ? 0.2196 0.1487 0.1548 -0.0003 -0.0080 0.0397  106 THR A N   
666  C CA  . THR A 92  ? 0.1788 0.1450 0.1564 0.0486  -0.0093 0.0288  106 THR A CA  
667  C C   . THR A 92  ? 0.2153 0.1650 0.1607 0.0433  0.0115  0.0194  106 THR A C   
668  O O   . THR A 92  ? 0.2126 0.1618 0.1566 0.0306  0.0008  0.0284  106 THR A O   
669  C CB  . THR A 92  ? 0.1398 0.1580 0.1804 0.0355  -0.0295 0.0036  106 THR A CB  
670  O OG1 . THR A 92  ? 0.1449 0.1982 0.2021 0.0211  -0.0059 0.0318  106 THR A OG1 
671  C CG2 . THR A 92  ? 0.2019 0.1605 0.1903 0.0556  0.0036  0.0041  106 THR A CG2 
672  N N   A GLN A 93  ? 0.1951 0.1793 0.1782 0.0237  -0.0334 0.0252  107 GLN A N   
673  N N   B GLN A 93  ? 0.2046 0.1711 0.1642 0.0253  -0.0349 0.0177  107 GLN A N   
674  C CA  A GLN A 93  ? 0.1891 0.1875 0.1579 0.0010  -0.0588 0.0153  107 GLN A CA  
675  C CA  B GLN A 93  ? 0.1890 0.1701 0.1472 0.0077  -0.0574 0.0017  107 GLN A CA  
676  C C   A GLN A 93  ? 0.1862 0.1825 0.1280 0.0185  -0.0374 0.0065  107 GLN A C   
677  C C   B GLN A 93  ? 0.1683 0.1650 0.1182 0.0191  -0.0425 -0.0031 107 GLN A C   
678  O O   A GLN A 93  ? 0.1887 0.1761 0.1576 0.0384  -0.0249 -0.0062 107 GLN A O   
679  O O   B GLN A 93  ? 0.1286 0.1561 0.1188 0.0340  -0.0431 -0.0172 107 GLN A O   
680  C CB  A GLN A 93  ? 0.2221 0.2102 0.1690 -0.0083 -0.0575 -0.0090 107 GLN A CB  
681  C CB  B GLN A 93  ? 0.2090 0.1801 0.1549 -0.0071 -0.0655 -0.0149 107 GLN A CB  
682  C CG  A GLN A 93  ? 0.2183 0.2090 0.1987 -0.0048 -0.0215 -0.0170 107 GLN A CG  
683  C CG  B GLN A 93  ? 0.2263 0.1847 0.1869 0.0023  -0.0549 -0.0319 107 GLN A CG  
684  C CD  A GLN A 93  ? 0.2012 0.1935 0.2166 -0.0156 -0.0286 -0.0231 107 GLN A CD  
685  C CD  B GLN A 93  ? 0.2605 0.1755 0.2038 0.0174  -0.0401 -0.0461 107 GLN A CD  
686  O OE1 A GLN A 93  ? 0.2496 0.1939 0.2555 -0.0006 -0.0209 -0.0224 107 GLN A OE1 
687  O OE1 B GLN A 93  ? 0.3249 0.1912 0.2062 0.0148  -0.0456 -0.0445 107 GLN A OE1 
688  N NE2 A GLN A 93  ? 0.2255 0.2016 0.2498 -0.0558 0.0282  0.0150  107 GLN A NE2 
689  N NE2 B GLN A 93  ? 0.2259 0.1618 0.2336 0.0211  -0.0274 -0.0668 107 GLN A NE2 
690  N N   . TRP A 94  ? 0.1724 0.1602 0.1320 0.0295  -0.0188 0.0113  108 TRP A N   
691  C CA  . TRP A 94  ? 0.1558 0.1256 0.1486 0.0075  -0.0292 0.0223  108 TRP A CA  
692  C C   . TRP A 94  ? 0.1687 0.1217 0.1791 0.0370  -0.0099 0.0255  108 TRP A C   
693  O O   . TRP A 94  ? 0.1622 0.1453 0.1835 0.0243  -0.0045 0.0159  108 TRP A O   
694  C CB  . TRP A 94  ? 0.1732 0.1289 0.1385 -0.0238 -0.0077 0.0037  108 TRP A CB  
695  C CG  . TRP A 94  ? 0.1655 0.1235 0.1481 -0.0185 0.0221  0.0038  108 TRP A CG  
696  C CD1 . TRP A 94  ? 0.1907 0.1128 0.1578 -0.0151 0.0270  -0.0092 108 TRP A CD1 
697  C CD2 . TRP A 94  ? 0.1922 0.1257 0.1539 0.0109  0.0015  0.0233  108 TRP A CD2 
698  N NE1 . TRP A 94  ? 0.1740 0.1315 0.1543 0.0171  0.0108  -0.0018 108 TRP A NE1 
699  C CE2 . TRP A 94  ? 0.1987 0.1311 0.1750 0.0266  0.0051  0.0157  108 TRP A CE2 
700  C CE3 . TRP A 94  ? 0.1520 0.1223 0.1813 0.0357  -0.0050 0.0139  108 TRP A CE3 
701  C CZ2 . TRP A 94  ? 0.1912 0.1180 0.1657 -0.0001 -0.0329 0.0268  108 TRP A CZ2 
702  C CZ3 . TRP A 94  ? 0.1429 0.1290 0.1442 0.0237  0.0028  -0.0174 108 TRP A CZ3 
703  C CH2 . TRP A 94  ? 0.1616 0.1121 0.1704 -0.0032 -0.0048 0.0109  108 TRP A CH2 
704  N N   . LEU A 95  ? 0.1441 0.0974 0.1667 0.0566  -0.0111 0.0372  109 LEU A N   
705  C CA  . LEU A 95  ? 0.0980 0.1094 0.1741 0.0448  -0.0261 0.0276  109 LEU A CA  
706  C C   . LEU A 95  ? 0.1452 0.1077 0.1563 0.0379  -0.0171 0.0109  109 LEU A C   
707  O O   . LEU A 95  ? 0.1894 0.1366 0.1925 0.0270  -0.0310 -0.0521 109 LEU A O   
708  C CB  . LEU A 95  ? 0.1172 0.1378 0.1906 -0.0214 -0.0007 0.0207  109 LEU A CB  
709  C CG  . LEU A 95  ? 0.1065 0.1583 0.1920 -0.0198 -0.0111 0.0157  109 LEU A CG  
710  C CD1 . LEU A 95  ? 0.1259 0.1666 0.2326 -0.0171 0.0122  0.0332  109 LEU A CD1 
711  C CD2 . LEU A 95  ? 0.1655 0.1793 0.1951 -0.0129 -0.0003 -0.0460 109 LEU A CD2 
712  N N   . LEU A 96  ? 0.1170 0.1213 0.1748 0.0570  -0.0103 0.0159  110 LEU A N   
713  C CA  . LEU A 96  ? 0.1085 0.1384 0.1709 0.0303  0.0100  0.0399  110 LEU A CA  
714  C C   . LEU A 96  ? 0.1687 0.1330 0.1478 0.0409  0.0108  0.0257  110 LEU A C   
715  O O   . LEU A 96  ? 0.1646 0.1425 0.1642 0.0399  0.0039  0.0135  110 LEU A O   
716  C CB  . LEU A 96  ? 0.1263 0.1710 0.1756 0.0321  0.0108  0.0278  110 LEU A CB  
717  C CG  . LEU A 96  ? 0.1413 0.2143 0.1972 0.0162  0.0097  0.0063  110 LEU A CG  
718  C CD1 . LEU A 96  ? 0.1696 0.2080 0.1969 0.0373  -0.0058 -0.0070 110 LEU A CD1 
719  C CD2 . LEU A 96  ? 0.1696 0.2469 0.2355 0.0299  0.0330  0.0348  110 LEU A CD2 
720  N N   . THR A 97  ? 0.1694 0.1338 0.1331 0.0233  0.0132  0.0172  111 THR A N   
721  C CA  . THR A 97  ? 0.1298 0.1268 0.1485 0.0134  -0.0164 0.0365  111 THR A CA  
722  C C   . THR A 97  ? 0.1587 0.1281 0.1605 0.0349  -0.0258 0.0233  111 THR A C   
723  O O   . THR A 97  ? 0.1649 0.1490 0.1996 0.0077  -0.0182 -0.0010 111 THR A O   
724  C CB  . THR A 97  ? 0.1434 0.1491 0.1790 -0.0155 0.0002  0.0343  111 THR A CB  
725  O OG1 . THR A 97  ? 0.1324 0.2054 0.2105 -0.0393 -0.0204 0.0166  111 THR A OG1 
726  C CG2 . THR A 97  ? 0.2016 0.1569 0.2072 -0.0321 0.0079  0.0515  111 THR A CG2 
727  N N   . SER A 98  ? 0.1757 0.1097 0.1571 0.0554  -0.0279 0.0349  112 SER A N   
728  C CA  . SER A 98  ? 0.1834 0.1351 0.1597 0.0337  -0.0321 0.0393  112 SER A CA  
729  C C   . SER A 98  ? 0.2388 0.1613 0.1705 0.0377  -0.0405 0.0429  112 SER A C   
730  O O   . SER A 98  ? 0.2951 0.1696 0.1989 0.0145  -0.0436 0.0483  112 SER A O   
731  C CB  . SER A 98  ? 0.1985 0.1404 0.1923 0.0368  -0.0215 0.0168  112 SER A CB  
732  O OG  . SER A 98  ? 0.2299 0.2020 0.2035 0.0193  0.0219  0.0214  112 SER A OG  
733  N N   . GLY A 99  ? 0.2255 0.1714 0.1513 0.0137  -0.0435 0.0515  113 GLY A N   
734  C CA  . GLY A 99  ? 0.2022 0.1749 0.1944 0.0202  -0.0266 0.0567  113 GLY A CA  
735  C C   . GLY A 99  ? 0.2168 0.1770 0.2575 0.0135  -0.0113 0.0542  113 GLY A C   
736  O O   . GLY A 99  ? 0.2047 0.1957 0.3316 0.0157  -0.0095 0.0455  113 GLY A O   
737  N N   . THR A 100 ? 0.2111 0.1749 0.2323 0.0360  -0.0274 0.0498  114 THR A N   
738  C CA  . THR A 100 ? 0.2092 0.1805 0.2002 0.0434  -0.0308 0.0467  114 THR A CA  
739  C C   . THR A 100 ? 0.1954 0.1785 0.2216 0.0573  -0.0384 0.0350  114 THR A C   
740  O O   . THR A 100 ? 0.2399 0.1793 0.2211 0.0432  -0.0193 0.0506  114 THR A O   
741  C CB  . THR A 100 ? 0.2208 0.2103 0.2029 -0.0007 -0.0413 0.0514  114 THR A CB  
742  O OG1 . THR A 100 ? 0.2346 0.2253 0.2231 0.0258  -0.0375 0.0355  114 THR A OG1 
743  C CG2 . THR A 100 ? 0.2729 0.2086 0.2218 -0.0125 -0.0153 0.0698  114 THR A CG2 
744  N N   . THR A 101 ? 0.2462 0.1811 0.2308 0.0423  -0.0632 0.0758  115 THR A N   
745  C CA  . THR A 101 ? 0.2696 0.1750 0.2465 0.0621  -0.0494 0.0689  115 THR A CA  
746  C C   . THR A 101 ? 0.2644 0.1915 0.2564 0.0612  -0.0107 0.0472  115 THR A C   
747  O O   . THR A 101 ? 0.2929 0.2022 0.2018 0.0517  -0.0122 0.0470  115 THR A O   
748  C CB  . THR A 101 ? 0.2668 0.1789 0.2797 0.0424  -0.0370 0.0303  115 THR A CB  
749  O OG1 . THR A 101 ? 0.2917 0.1721 0.2795 0.0537  -0.0195 0.0529  115 THR A OG1 
750  C CG2 . THR A 101 ? 0.2544 0.1802 0.2844 -0.0011 -0.0682 0.0192  115 THR A CG2 
751  N N   . GLU A 102 ? 0.2581 0.1893 0.2716 0.0048  -0.0091 0.0263  116 GLU A N   
752  C CA  . GLU A 102 ? 0.2790 0.2160 0.3048 -0.0093 -0.0007 0.0454  116 GLU A CA  
753  C C   . GLU A 102 ? 0.2618 0.1778 0.2625 0.0224  -0.0375 0.0400  116 GLU A C   
754  O O   . GLU A 102 ? 0.2785 0.1972 0.2950 0.0259  -0.0577 0.0336  116 GLU A O   
755  C CB  . GLU A 102 ? 0.2945 0.2433 0.3533 -0.0402 -0.0269 0.0891  116 GLU A CB  
756  C CG  . GLU A 102 ? 0.3414 0.3031 0.4583 -0.0418 -0.0221 0.1038  116 GLU A CG  
757  C CD  . GLU A 102 ? 0.4212 0.3620 0.5268 -0.0477 -0.0218 0.0839  116 GLU A CD  
758  O OE1 . GLU A 102 ? 0.4410 0.3738 0.5430 -0.0553 0.0084  0.0770  116 GLU A OE1 
759  O OE2 . GLU A 102 ? 0.4831 0.3969 0.5643 -0.0355 -0.0473 0.0916  116 GLU A OE2 
760  N N   . ALA A 103 ? 0.2944 0.1416 0.2628 0.0406  0.0228  0.0347  117 ALA A N   
761  C CA  . ALA A 103 ? 0.3218 0.1471 0.2733 0.0636  -0.0096 0.0444  117 ALA A CA  
762  C C   . ALA A 103 ? 0.3123 0.1490 0.2392 0.0588  -0.0068 0.0428  117 ALA A C   
763  O O   . ALA A 103 ? 0.3216 0.1544 0.2676 0.0778  -0.0448 0.0199  117 ALA A O   
764  C CB  . ALA A 103 ? 0.3421 0.1443 0.3060 0.0722  0.0007  0.0781  117 ALA A CB  
765  N N   . ASN A 104 ? 0.3302 0.1494 0.2255 0.0755  0.0099  0.0389  118 ASN A N   
766  C CA  . ASN A 104 ? 0.2575 0.1652 0.2498 0.0511  -0.0075 0.0296  118 ASN A CA  
767  C C   . ASN A 104 ? 0.2551 0.1783 0.2276 0.0248  0.0005  0.0310  118 ASN A C   
768  O O   . ASN A 104 ? 0.2311 0.1842 0.2246 0.0037  -0.0094 0.0403  118 ASN A O   
769  C CB  . ASN A 104 ? 0.2611 0.1644 0.2804 0.0639  0.0084  0.0294  118 ASN A CB  
770  C CG  . ASN A 104 ? 0.2679 0.2079 0.3255 0.0621  -0.0041 0.0143  118 ASN A CG  
771  O OD1 . ASN A 104 ? 0.3085 0.2179 0.3296 0.1028  0.0429  -0.0037 118 ASN A OD1 
772  N ND2 . ASN A 104 ? 0.2576 0.2403 0.3473 0.0578  -0.0340 0.0382  118 ASN A ND2 
773  N N   . ALA A 105 ? 0.2342 0.1822 0.2279 0.0189  -0.0253 0.0187  119 ALA A N   
774  C CA  . ALA A 105 ? 0.2064 0.1707 0.1853 0.0257  -0.0633 0.0329  119 ALA A CA  
775  C C   . ALA A 105 ? 0.2002 0.1683 0.2031 -0.0023 -0.0641 0.0265  119 ALA A C   
776  O O   . ALA A 105 ? 0.2237 0.1827 0.2451 0.0267  -0.0457 0.0627  119 ALA A O   
777  C CB  . ALA A 105 ? 0.2124 0.1614 0.2190 0.0027  -0.0320 0.0258  119 ALA A CB  
778  N N   . TRP A 106 ? 0.2763 0.1562 0.1938 0.0023  -0.0283 0.0233  120 TRP A N   
779  C CA  . TRP A 106 ? 0.2979 0.1372 0.1994 0.0187  -0.0679 0.0239  120 TRP A CA  
780  C C   . TRP A 106 ? 0.3045 0.1326 0.2023 0.0160  -0.0546 0.0404  120 TRP A C   
781  O O   . TRP A 106 ? 0.3234 0.1860 0.2412 0.0061  -0.1339 0.0285  120 TRP A O   
782  C CB  . TRP A 106 ? 0.3438 0.1370 0.2173 0.0192  -0.0438 -0.0063 120 TRP A CB  
783  C CG  . TRP A 106 ? 0.4081 0.1451 0.2249 0.0581  -0.0260 -0.0049 120 TRP A CG  
784  C CD1 . TRP A 106 ? 0.4276 0.1495 0.2337 0.0741  -0.0216 -0.0276 120 TRP A CD1 
785  C CD2 . TRP A 106 ? 0.4529 0.1695 0.2297 0.0648  0.0191  0.0176  120 TRP A CD2 
786  N NE1 . TRP A 106 ? 0.4760 0.1813 0.2743 0.0597  0.0345  -0.0121 120 TRP A NE1 
787  C CE2 . TRP A 106 ? 0.4825 0.1753 0.2598 0.0504  0.0872  0.0163  120 TRP A CE2 
788  C CE3 . TRP A 106 ? 0.4988 0.1875 0.2554 0.0725  0.0320  0.0183  120 TRP A CE3 
789  C CZ2 . TRP A 106 ? 0.4955 0.1927 0.3133 0.0619  0.0954  0.0167  120 TRP A CZ2 
790  C CZ3 . TRP A 106 ? 0.5055 0.1950 0.2896 0.0681  0.0578  0.0065  120 TRP A CZ3 
791  C CH2 . TRP A 106 ? 0.4922 0.2070 0.3171 0.0882  0.0786  -0.0090 120 TRP A CH2 
792  N N   . LYS A 107 ? 0.3161 0.1028 0.2106 0.0218  -0.0059 0.0205  121 LYS A N   
793  C CA  . LYS A 107 ? 0.2749 0.1553 0.2249 0.0424  -0.0058 0.0059  121 LYS A CA  
794  C C   . LYS A 107 ? 0.2165 0.1717 0.2056 0.0693  -0.0176 0.0127  121 LYS A C   
795  O O   . LYS A 107 ? 0.2093 0.2121 0.2118 0.0501  0.0210  0.0089  121 LYS A O   
796  C CB  . LYS A 107 ? 0.3038 0.1699 0.2560 0.0856  0.0117  0.0438  121 LYS A CB  
797  C CG  . LYS A 107 ? 0.2849 0.1966 0.3049 0.1236  0.0186  0.0362  121 LYS A CG  
798  C CD  . LYS A 107 ? 0.3161 0.2542 0.3143 0.1438  0.0292  0.0601  121 LYS A CD  
799  C CE  . LYS A 107 ? 0.3539 0.2883 0.3621 0.1633  0.0668  0.0471  121 LYS A CE  
800  N NZ  . LYS A 107 ? 0.4275 0.3287 0.3970 0.1421  0.0993  0.0475  121 LYS A NZ  
801  N N   . SER A 108 ? 0.2105 0.1765 0.1552 0.0392  -0.0426 -0.0194 122 SER A N   
802  C CA  . SER A 108 ? 0.1938 0.1524 0.1293 0.0385  -0.0180 0.0014  122 SER A CA  
803  C C   . SER A 108 ? 0.1586 0.1551 0.1421 0.0227  -0.0457 0.0121  122 SER A C   
804  O O   . SER A 108 ? 0.1813 0.1751 0.1582 0.0037  -0.0433 0.0062  122 SER A O   
805  C CB  . SER A 108 ? 0.2206 0.1610 0.1757 0.0101  -0.0051 -0.0244 122 SER A CB  
806  O OG  . SER A 108 ? 0.2348 0.1846 0.2408 -0.0106 0.0304  -0.0246 122 SER A OG  
807  N N   . THR A 109 ? 0.1596 0.1475 0.1381 0.0116  -0.0246 0.0146  123 THR A N   
808  C CA  . THR A 109 ? 0.1443 0.1288 0.1401 0.0232  -0.0140 0.0358  123 THR A CA  
809  C C   . THR A 109 ? 0.1566 0.1252 0.1586 0.0039  0.0098  0.0240  123 THR A C   
810  O O   . THR A 109 ? 0.1770 0.1412 0.1803 -0.0115 0.0006  0.0154  123 THR A O   
811  C CB  . THR A 109 ? 0.1457 0.1412 0.1577 0.0147  -0.0092 0.0362  123 THR A CB  
812  O OG1 . THR A 109 ? 0.2193 0.1702 0.1573 0.0087  -0.0057 0.0111  123 THR A OG1 
813  C CG2 . THR A 109 ? 0.1793 0.1468 0.1712 0.0259  -0.0204 0.0314  123 THR A CG2 
814  N N   . LEU A 110 ? 0.1720 0.1125 0.1689 -0.0039 0.0127  0.0481  124 LEU A N   
815  C CA  . LEU A 110 ? 0.1579 0.1252 0.1666 -0.0055 0.0107  0.0377  124 LEU A CA  
816  C C   . LEU A 110 ? 0.1845 0.1128 0.1446 0.0285  -0.0320 0.0014  124 LEU A C   
817  O O   . LEU A 110 ? 0.1854 0.1237 0.1640 0.0287  -0.0113 -0.0190 124 LEU A O   
818  C CB  . LEU A 110 ? 0.1515 0.1622 0.1615 -0.0015 0.0081  0.0096  124 LEU A CB  
819  C CG  . LEU A 110 ? 0.1735 0.1661 0.1744 0.0115  0.0116  -0.0205 124 LEU A CG  
820  C CD1 . LEU A 110 ? 0.1903 0.1855 0.2243 -0.0091 0.0009  -0.0191 124 LEU A CD1 
821  C CD2 . LEU A 110 ? 0.2149 0.1536 0.1758 0.0377  0.0090  0.0134  124 LEU A CD2 
822  N N   . VAL A 111 ? 0.1616 0.1105 0.1699 0.0390  0.0075  0.0089  125 VAL A N   
823  C CA  . VAL A 111 ? 0.1716 0.1417 0.1525 0.0539  -0.0006 0.0153  125 VAL A CA  
824  C C   . VAL A 111 ? 0.1861 0.1454 0.1328 0.0207  0.0125  0.0253  125 VAL A C   
825  O O   . VAL A 111 ? 0.1857 0.1630 0.1558 0.0470  -0.0158 0.0180  125 VAL A O   
826  C CB  . VAL A 111 ? 0.1959 0.1633 0.1574 0.0368  0.0187  -0.0298 125 VAL A CB  
827  C CG1 . VAL A 111 ? 0.2150 0.1625 0.1452 0.0388  0.0084  -0.0481 125 VAL A CG1 
828  C CG2 . VAL A 111 ? 0.2094 0.1832 0.1758 0.0200  -0.0047 -0.0398 125 VAL A CG2 
829  N N   . GLY A 112 ? 0.1901 0.1417 0.1365 0.0252  0.0080  0.0390  126 GLY A N   
830  C CA  . GLY A 112 ? 0.2157 0.1360 0.1267 0.0274  0.0159  0.0301  126 GLY A CA  
831  C C   . GLY A 112 ? 0.2093 0.1694 0.1605 0.0228  -0.0238 0.0211  126 GLY A C   
832  O O   . GLY A 112 ? 0.2000 0.1847 0.1644 0.0503  -0.0080 -0.0044 126 GLY A O   
833  N N   . HIS A 113 ? 0.1818 0.1626 0.1988 0.0221  -0.0086 0.0185  127 HIS A N   
834  C CA  . HIS A 113 ? 0.2063 0.1754 0.1925 0.0242  -0.0240 0.0118  127 HIS A CA  
835  C C   . HIS A 113 ? 0.2216 0.1716 0.1930 0.0069  0.0028  0.0261  127 HIS A C   
836  O O   . HIS A 113 ? 0.2626 0.1793 0.2295 0.0133  0.0536  0.0035  127 HIS A O   
837  C CB  . HIS A 113 ? 0.2157 0.2055 0.1662 0.0296  -0.0406 0.0153  127 HIS A CB  
838  C CG  . HIS A 113 ? 0.2702 0.2337 0.1770 -0.0269 -0.0281 -0.0082 127 HIS A CG  
839  N ND1 . HIS A 113 ? 0.3422 0.2508 0.2300 -0.0324 0.0262  -0.0236 127 HIS A ND1 
840  C CD2 . HIS A 113 ? 0.2366 0.2240 0.1650 -0.0368 0.0170  -0.0367 127 HIS A CD2 
841  C CE1 . HIS A 113 ? 0.3416 0.2384 0.2406 -0.0344 0.0143  -0.0432 127 HIS A CE1 
842  N NE2 . HIS A 113 ? 0.3134 0.2452 0.2274 -0.0535 0.0256  -0.0391 127 HIS A NE2 
843  N N   . ASP A 114 ? 0.2021 0.1637 0.1691 0.0046  -0.0195 0.0219  128 ASP A N   
844  C CA  . ASP A 114 ? 0.2307 0.1412 0.1768 0.0037  -0.0160 0.0368  128 ASP A CA  
845  C C   . ASP A 114 ? 0.2443 0.1518 0.1753 -0.0104 0.0076  0.0299  128 ASP A C   
846  O O   . ASP A 114 ? 0.2286 0.1828 0.1950 -0.0016 0.0026  0.0320  128 ASP A O   
847  C CB  . ASP A 114 ? 0.2008 0.1535 0.1698 0.0304  -0.0206 0.0225  128 ASP A CB  
848  C CG  . ASP A 114 ? 0.2078 0.1887 0.1455 0.0135  -0.0089 0.0199  128 ASP A CG  
849  O OD1 . ASP A 114 ? 0.2533 0.2256 0.2007 0.0494  0.0101  0.0010  128 ASP A OD1 
850  O OD2 . ASP A 114 ? 0.1760 0.1943 0.1552 -0.0093 0.0047  0.0216  128 ASP A OD2 
851  N N   . THR A 115 ? 0.2701 0.1675 0.1882 0.0165  0.0056  0.0158  129 THR A N   
852  C CA  . THR A 115 ? 0.3117 0.1551 0.1893 0.0389  0.0127  0.0456  129 THR A CA  
853  C C   . THR A 115 ? 0.2783 0.1509 0.2063 0.0412  0.0323  0.0588  129 THR A C   
854  O O   . THR A 115 ? 0.2937 0.1616 0.2300 0.0343  0.0194  0.0233  129 THR A O   
855  C CB  . THR A 115 ? 0.3918 0.1929 0.2311 0.0303  -0.0055 0.0655  129 THR A CB  
856  O OG1 . THR A 115 ? 0.4594 0.1975 0.2507 0.0632  -0.0331 0.0707  129 THR A OG1 
857  C CG2 . THR A 115 ? 0.4283 0.2349 0.2541 0.0197  0.0009  0.0455  129 THR A CG2 
858  N N   . PHE A 116 ? 0.2908 0.1422 0.1925 0.0506  0.0131  0.0308  130 PHE A N   
859  C CA  . PHE A 116 ? 0.2882 0.1535 0.1931 0.0347  0.0045  0.0290  130 PHE A CA  
860  C C   . PHE A 116 ? 0.3196 0.1843 0.2229 0.0249  0.0134  0.0358  130 PHE A C   
861  O O   . PHE A 116 ? 0.3147 0.2000 0.2449 0.0352  -0.0003 0.0688  130 PHE A O   
862  C CB  . PHE A 116 ? 0.2789 0.1524 0.2071 0.0086  0.0370  0.0238  130 PHE A CB  
863  C CG  . PHE A 116 ? 0.2584 0.1480 0.2231 0.0156  0.0069  0.0160  130 PHE A CG  
864  C CD1 . PHE A 116 ? 0.2393 0.1255 0.2314 0.0422  0.0044  0.0029  130 PHE A CD1 
865  C CD2 . PHE A 116 ? 0.2407 0.1503 0.2011 0.0178  0.0399  0.0108  130 PHE A CD2 
866  C CE1 . PHE A 116 ? 0.2226 0.1444 0.2056 0.0341  0.0029  0.0080  130 PHE A CE1 
867  C CE2 . PHE A 116 ? 0.2485 0.1117 0.1934 0.0285  0.0557  0.0201  130 PHE A CE2 
868  C CZ  . PHE A 116 ? 0.2598 0.1340 0.1926 0.0009  0.0143  -0.0003 130 PHE A CZ  
869  N N   . THR A 117 ? 0.3382 0.1770 0.2180 0.0163  0.0279  0.0258  131 THR A N   
870  C CA  . THR A 117 ? 0.3896 0.2004 0.2056 0.0006  0.0162  0.0018  131 THR A CA  
871  C C   . THR A 117 ? 0.4079 0.1803 0.2454 -0.0163 0.0264  -0.0135 131 THR A C   
872  O O   . THR A 117 ? 0.3795 0.1560 0.2346 -0.0268 0.0409  -0.0298 131 THR A O   
873  C CB  . THR A 117 ? 0.4329 0.2737 0.2359 0.0000  -0.0097 -0.0271 131 THR A CB  
874  O OG1 . THR A 117 ? 0.4555 0.3261 0.2557 0.0006  -0.0223 -0.0584 131 THR A OG1 
875  C CG2 . THR A 117 ? 0.4584 0.2836 0.2187 -0.0160 -0.0231 -0.0103 131 THR A CG2 
876  N N   . LYS A 118 ? 0.4293 0.1756 0.2672 -0.0147 0.0332  -0.0207 132 LYS A N   
877  C CA  . LYS A 118 ? 0.4632 0.2158 0.2832 -0.0275 0.0322  -0.0013 132 LYS A CA  
878  C C   . LYS A 118 ? 0.4941 0.2528 0.2344 -0.0640 0.0443  0.0148  132 LYS A C   
879  O O   . LYS A 118 ? 0.5312 0.2862 0.2409 -0.0755 -0.0004 0.0419  132 LYS A O   
880  C CB  . LYS A 118 ? 0.4599 0.2440 0.3196 0.0105  0.0702  0.0107  132 LYS A CB  
881  C CG  . LYS A 118 ? 0.4493 0.2652 0.3686 0.0089  0.0997  -0.0155 132 LYS A CG  
882  C CD  . LYS A 118 ? 0.4301 0.2953 0.4076 0.0256  0.1207  -0.0301 132 LYS A CD  
883  C CE  . LYS A 118 ? 0.4332 0.3129 0.4402 0.0348  0.0953  -0.0596 132 LYS A CE  
884  N NZ  . LYS A 118 ? 0.4001 0.3044 0.4288 0.0326  0.0718  -0.0782 132 LYS A NZ  
885  N N   . VAL A 119 ? 0.4802 0.2722 0.2615 -0.0961 0.0938  0.0164  133 VAL A N   
886  C CA  . VAL A 119 ? 0.4157 0.2806 0.2645 -0.0864 0.0954  0.0039  133 VAL A CA  
887  C C   . VAL A 119 ? 0.4102 0.2725 0.2926 -0.1089 0.0346  0.0155  133 VAL A C   
888  O O   . VAL A 119 ? 0.4277 0.2976 0.3543 -0.1227 0.0197  0.0185  133 VAL A O   
889  C CB  . VAL A 119 ? 0.4068 0.3004 0.2702 -0.0598 0.0746  0.0174  133 VAL A CB  
890  C CG1 . VAL A 119 ? 0.3548 0.2966 0.2910 -0.0731 0.1008  0.0358  133 VAL A CG1 
891  C CG2 . VAL A 119 ? 0.4241 0.3241 0.2859 -0.0361 0.0678  0.0393  133 VAL A CG2 
892  N N   . LYS A 120 ? 0.3872 0.2624 0.2324 -0.1470 0.0697  -0.0007 134 LYS A N   
893  C CA  . LYS A 120 ? 0.4484 0.2956 0.2412 -0.1186 0.0566  0.0000  134 LYS A CA  
894  C C   . LYS A 120 ? 0.5237 0.3212 0.3037 -0.1742 0.1074  -0.0167 134 LYS A C   
895  O O   . LYS A 120 ? 0.5499 0.3456 0.3174 -0.1522 0.1281  -0.0062 134 LYS A O   
896  C CB  . LYS A 120 ? 0.4124 0.2990 0.2497 -0.1281 0.0629  0.0250  134 LYS A CB  
897  C CG  . LYS A 120 ? 0.4002 0.3024 0.2963 -0.1112 0.0363  0.0501  134 LYS A CG  
898  C CD  . LYS A 120 ? 0.4201 0.3273 0.3553 -0.1179 -0.0156 0.0484  134 LYS A CD  
899  C CE  . LYS A 120 ? 0.4552 0.3641 0.4126 -0.1092 -0.0322 0.0409  134 LYS A CE  
900  N NZ  . LYS A 120 ? 0.4964 0.3847 0.4591 -0.1163 -0.0298 0.0230  134 LYS A NZ  
901  N N   . PRO A 121 ? 0.5884 0.3123 0.3157 -0.1839 0.1512  -0.0079 135 PRO A N   
902  C CA  . PRO A 121 ? 0.6463 0.3370 0.3197 -0.1900 0.1600  -0.0173 135 PRO A CA  
903  C C   . PRO A 121 ? 0.6762 0.3651 0.3272 -0.1900 0.1901  -0.0450 135 PRO A C   
904  O O   . PRO A 121 ? 0.6816 0.3634 0.3484 -0.1757 0.1978  -0.0731 135 PRO A O   
905  C CB  . PRO A 121 ? 0.6577 0.3288 0.3601 -0.1900 0.1334  0.0019  135 PRO A CB  
906  C CG  . PRO A 121 ? 0.6425 0.3195 0.3666 -0.1900 0.1113  0.0090  135 PRO A CG  
907  C CD  . PRO A 121 ? 0.6276 0.3095 0.3257 -0.1900 0.1065  -0.0026 135 PRO A CD  
908  O OXT . PRO A 121 ? 0.7460 0.3958 0.3808 -0.1900 0.1719  -0.0557 135 PRO A OXT 
909  N N   . GLY B 2   ? 0.2212 0.2884 0.3734 0.0175  0.0257  -0.0080 16  GLY B N   
910  C CA  . GLY B 2   ? 0.2079 0.2512 0.3271 -0.0046 0.0077  -0.0260 16  GLY B CA  
911  C C   . GLY B 2   ? 0.1897 0.2366 0.2610 0.0022  0.0237  -0.0193 16  GLY B C   
912  O O   . GLY B 2   ? 0.2825 0.2418 0.2630 -0.0080 0.0598  0.0091  16  GLY B O   
913  N N   . ILE B 3   ? 0.1892 0.2544 0.2226 0.0088  0.0037  -0.0083 17  ILE B N   
914  C CA  . ILE B 3   ? 0.1938 0.2232 0.2038 0.0290  -0.0105 0.0242  17  ILE B CA  
915  C C   . ILE B 3   ? 0.1976 0.2002 0.1981 0.0106  0.0082  0.0108  17  ILE B C   
916  O O   . ILE B 3   ? 0.1994 0.1841 0.1826 0.0117  0.0188  -0.0022 17  ILE B O   
917  C CB  . ILE B 3   ? 0.1949 0.2186 0.1763 0.0324  -0.0211 0.0283  17  ILE B CB  
918  C CG1 . ILE B 3   ? 0.2355 0.2063 0.1935 0.0410  -0.0698 0.0216  17  ILE B CG1 
919  C CG2 . ILE B 3   ? 0.1696 0.2516 0.1747 0.0127  0.0116  -0.0146 17  ILE B CG2 
920  C CD1 . ILE B 3   ? 0.2676 0.2223 0.2531 0.0356  -0.0587 0.0075  17  ILE B CD1 
921  N N   . THR B 4   ? 0.1893 0.1990 0.1766 0.0213  0.0210  0.0064  18  THR B N   
922  C CA  . THR B 4   ? 0.2213 0.2049 0.1530 0.0094  0.0076  -0.0066 18  THR B CA  
923  C C   . THR B 4   ? 0.1845 0.2168 0.1663 0.0022  -0.0168 0.0090  18  THR B C   
924  O O   . THR B 4   ? 0.2061 0.2352 0.1937 -0.0240 0.0012  0.0194  18  THR B O   
925  C CB  . THR B 4   ? 0.2413 0.1689 0.1591 0.0052  0.0127  -0.0061 18  THR B CB  
926  O OG1 . THR B 4   ? 0.2485 0.1490 0.1718 0.0048  0.0409  -0.0033 18  THR B OG1 
927  C CG2 . THR B 4   ? 0.2364 0.1877 0.1875 -0.0190 -0.0173 -0.0087 18  THR B CG2 
928  N N   . GLY B 5   ? 0.1750 0.2333 0.1679 0.0467  0.0128  0.0409  19  GLY B N   
929  C CA  . GLY B 5   ? 0.1721 0.2572 0.2103 0.0367  -0.0046 0.0254  19  GLY B CA  
930  C C   . GLY B 5   ? 0.1917 0.2416 0.1984 0.0233  -0.0049 -0.0034 19  GLY B C   
931  O O   . GLY B 5   ? 0.2029 0.2303 0.2144 0.0043  0.0206  -0.0022 19  GLY B O   
932  N N   . THR B 6   ? 0.2229 0.2392 0.1881 0.0278  0.0339  0.0110  20  THR B N   
933  C CA  . THR B 6   ? 0.2264 0.2267 0.1676 0.0164  0.0110  0.0142  20  THR B CA  
934  C C   . THR B 6   ? 0.2294 0.2308 0.1711 -0.0142 0.0266  0.0325  20  THR B C   
935  O O   . THR B 6   ? 0.2498 0.2662 0.1992 -0.0429 0.0732  0.0236  20  THR B O   
936  C CB  . THR B 6   ? 0.2777 0.2331 0.1708 0.0392  -0.0181 0.0117  20  THR B CB  
937  O OG1 . THR B 6   ? 0.3250 0.2533 0.1698 0.0518  -0.0090 0.0098  20  THR B OG1 
938  C CG2 . THR B 6   ? 0.2965 0.2240 0.1594 0.0351  -0.0425 -0.0112 20  THR B CG2 
939  N N   . TRP B 7   ? 0.2068 0.2143 0.1529 -0.0208 0.0040  0.0353  21  TRP B N   
940  C CA  . TRP B 7   ? 0.2237 0.1744 0.1532 -0.0120 0.0018  0.0144  21  TRP B CA  
941  C C   . TRP B 7   ? 0.2090 0.1464 0.1661 -0.0131 -0.0456 -0.0075 21  TRP B C   
942  O O   . TRP B 7   ? 0.2318 0.1812 0.1864 0.0005  0.0111  -0.0022 21  TRP B O   
943  C CB  . TRP B 7   ? 0.2138 0.1753 0.1562 0.0221  -0.0267 0.0028  21  TRP B CB  
944  C CG  . TRP B 7   ? 0.2267 0.1844 0.1489 -0.0067 -0.0185 -0.0034 21  TRP B CG  
945  C CD1 . TRP B 7   ? 0.2278 0.1928 0.1542 0.0047  -0.0055 0.0058  21  TRP B CD1 
946  C CD2 . TRP B 7   ? 0.1812 0.1868 0.1556 -0.0389 -0.0063 -0.0020 21  TRP B CD2 
947  N NE1 . TRP B 7   ? 0.1813 0.1834 0.1743 -0.0354 -0.0037 -0.0059 21  TRP B NE1 
948  C CE2 . TRP B 7   ? 0.1805 0.2084 0.1537 -0.0781 0.0178  -0.0188 21  TRP B CE2 
949  C CE3 . TRP B 7   ? 0.1397 0.1857 0.1801 -0.0650 -0.0146 -0.0040 21  TRP B CE3 
950  C CZ2 . TRP B 7   ? 0.1807 0.2155 0.1859 -0.0737 0.0267  0.0101  21  TRP B CZ2 
951  C CZ3 . TRP B 7   ? 0.1641 0.2064 0.1739 -0.0441 -0.0036 0.0224  21  TRP B CZ3 
952  C CH2 . TRP B 7   ? 0.1806 0.2176 0.1958 -0.0376 0.0166  0.0146  21  TRP B CH2 
953  N N   . TYR B 8   ? 0.2862 0.1387 0.1686 0.0213  -0.0330 0.0049  22  TYR B N   
954  C CA  . TYR B 8   ? 0.2949 0.1860 0.1767 0.0525  -0.0686 0.0176  22  TYR B CA  
955  C C   . TYR B 8   ? 0.3068 0.2107 0.2111 0.0537  -0.0290 0.0027  22  TYR B C   
956  O O   . TYR B 8   ? 0.2716 0.2185 0.1930 0.0547  -0.0313 0.0111  22  TYR B O   
957  C CB  . TYR B 8   ? 0.4092 0.2256 0.1982 -0.0055 -0.1029 0.0143  22  TYR B CB  
958  C CG  . TYR B 8   ? 0.4580 0.2394 0.2123 -0.0449 -0.1234 0.0405  22  TYR B CG  
959  C CD1 . TYR B 8   ? 0.5174 0.2538 0.2646 -0.0248 -0.1115 0.0535  22  TYR B CD1 
960  C CD2 . TYR B 8   ? 0.5047 0.2472 0.2089 -0.0819 -0.1235 0.0348  22  TYR B CD2 
961  C CE1 . TYR B 8   ? 0.5292 0.2673 0.2632 -0.0421 -0.1003 0.0414  22  TYR B CE1 
962  C CE2 . TYR B 8   ? 0.5252 0.2549 0.2259 -0.1030 -0.1206 0.0582  22  TYR B CE2 
963  C CZ  . TYR B 8   ? 0.5409 0.2706 0.2427 -0.0862 -0.1351 0.0469  22  TYR B CZ  
964  O OH  . TYR B 8   ? 0.5775 0.2940 0.2377 -0.1239 -0.1051 0.0464  22  TYR B OH  
965  N N   . ASN B 9   ? 0.3067 0.2334 0.2178 0.0220  -0.0313 -0.0134 23  ASN B N   
966  C CA  . ASN B 9   ? 0.3181 0.2529 0.2274 0.0487  -0.0098 -0.0084 23  ASN B CA  
967  C C   . ASN B 9   ? 0.3522 0.2560 0.2518 0.0566  -0.0394 -0.0006 23  ASN B C   
968  O O   . ASN B 9   ? 0.4047 0.2473 0.2556 0.0609  -0.0485 0.0257  23  ASN B O   
969  C CB  . ASN B 9   ? 0.2971 0.2880 0.2429 0.0577  -0.0222 -0.0225 23  ASN B CB  
970  C CG  . ASN B 9   ? 0.2935 0.3143 0.2778 0.0285  -0.0071 -0.0543 23  ASN B CG  
971  O OD1 . ASN B 9   ? 0.2889 0.2962 0.3031 0.0188  0.0195  -0.0190 23  ASN B OD1 
972  N ND2 . ASN B 9   ? 0.2881 0.3300 0.2937 0.0368  0.0017  -0.0963 23  ASN B ND2 
973  N N   . GLN B 10  ? 0.3335 0.2497 0.2610 0.0593  -0.0301 -0.0161 24  GLN B N   
974  C CA  . GLN B 10  ? 0.3672 0.2654 0.3057 0.0381  0.0020  0.0082  24  GLN B CA  
975  C C   . GLN B 10  ? 0.3852 0.2545 0.3312 0.0655  -0.0155 -0.0187 24  GLN B C   
976  O O   . GLN B 10  ? 0.4561 0.2367 0.3624 0.0703  -0.0153 0.0108  24  GLN B O   
977  C CB  . GLN B 10  ? 0.3876 0.2853 0.3223 -0.0065 0.0411  0.0005  24  GLN B CB  
978  C CG  . GLN B 10  ? 0.3669 0.3258 0.3401 0.0091  0.0648  0.0092  24  GLN B CG  
979  C CD  . GLN B 10  ? 0.2843 0.3480 0.2957 0.0440  0.0682  0.0323  24  GLN B CD  
980  O OE1 . GLN B 10  ? 0.2601 0.3055 0.2059 0.0824  0.0299  0.0144  24  GLN B OE1 
981  N NE2 . GLN B 10  ? 0.2868 0.3828 0.3535 0.0311  0.0441  0.0187  24  GLN B NE2 
982  N N   . LEU B 11  ? 0.3337 0.2798 0.3362 0.0893  -0.0278 -0.0682 25  LEU B N   
983  C CA  . LEU B 11  ? 0.3556 0.2942 0.3420 0.1114  -0.0116 -0.0652 25  LEU B CA  
984  C C   . LEU B 11  ? 0.4185 0.3243 0.3688 0.0936  -0.0063 -0.0537 25  LEU B C   
985  O O   . LEU B 11  ? 0.4913 0.3560 0.4054 0.0905  -0.0178 -0.0586 25  LEU B O   
986  C CB  . LEU B 11  ? 0.3660 0.3037 0.3567 0.1460  0.0220  -0.0475 25  LEU B CB  
987  C CG  . LEU B 11  ? 0.4478 0.3268 0.3719 0.1286  0.0309  -0.0151 25  LEU B CG  
988  C CD1 . LEU B 11  ? 0.4802 0.3399 0.3644 0.0997  0.0430  0.0024  25  LEU B CD1 
989  C CD2 . LEU B 11  ? 0.4615 0.3134 0.3672 0.1649  0.0490  -0.0178 25  LEU B CD2 
990  N N   . GLY B 12  ? 0.4516 0.3157 0.3127 0.0351  0.0183  -0.0564 26  GLY B N   
991  C CA  . GLY B 12  ? 0.4665 0.2908 0.3087 0.0115  -0.0406 -0.0360 26  GLY B CA  
992  C C   . GLY B 12  ? 0.4255 0.2514 0.2828 0.0300  -0.0789 -0.0088 26  GLY B C   
993  O O   . GLY B 12  ? 0.5039 0.2420 0.2857 0.0253  -0.1121 0.0058  26  GLY B O   
994  N N   . SER B 13  ? 0.3140 0.2423 0.2571 0.0579  -0.0371 -0.0167 27  SER B N   
995  C CA  . SER B 13  ? 0.2672 0.2450 0.2659 0.0421  0.0032  -0.0120 27  SER B CA  
996  C C   . SER B 13  ? 0.2644 0.2454 0.2460 0.0592  -0.0244 0.0033  27  SER B C   
997  O O   . SER B 13  ? 0.2577 0.2442 0.2568 0.0364  -0.0345 -0.0004 27  SER B O   
998  C CB  . SER B 13  ? 0.2794 0.2334 0.3021 0.0211  0.0615  -0.0205 27  SER B CB  
999  O OG  . SER B 13  ? 0.3927 0.2575 0.3498 0.0361  0.0691  -0.0167 27  SER B OG  
1000 N N   . THR B 14  ? 0.2920 0.2354 0.2340 0.0785  0.0030  -0.0077 28  THR B N   
1001 C CA  . THR B 14  ? 0.2929 0.2396 0.2168 0.0844  0.0004  0.0014  28  THR B CA  
1002 C C   . THR B 14  ? 0.2267 0.2105 0.2430 0.0296  0.0068  0.0045  28  THR B C   
1003 O O   . THR B 14  ? 0.2228 0.1998 0.2932 0.0180  0.0172  0.0058  28  THR B O   
1004 C CB  . THR B 14  ? 0.3691 0.2691 0.2092 0.1070  0.0098  -0.0001 28  THR B CB  
1005 O OG1 . THR B 14  ? 0.4539 0.2988 0.2632 0.1207  0.0196  0.0041  28  THR B OG1 
1006 C CG2 . THR B 14  ? 0.3820 0.2630 0.2351 0.1019  0.0246  0.0208  28  THR B CG2 
1007 N N   . PHE B 15  ? 0.1961 0.2051 0.2619 0.0417  0.0127  -0.0039 29  PHE B N   
1008 C CA  . PHE B 15  ? 0.2078 0.2356 0.2766 0.0461  0.0451  -0.0173 29  PHE B CA  
1009 C C   . PHE B 15  ? 0.2439 0.2232 0.2937 -0.0056 0.0619  -0.0224 29  PHE B C   
1010 O O   . PHE B 15  ? 0.2367 0.2345 0.3281 -0.0401 0.1013  -0.0191 29  PHE B O   
1011 C CB  . PHE B 15  ? 0.2076 0.2461 0.2661 0.0087  0.0493  0.0215  29  PHE B CB  
1012 C CG  . PHE B 15  ? 0.1646 0.2459 0.2453 -0.0304 0.0507  0.0589  29  PHE B CG  
1013 C CD1 . PHE B 15  ? 0.2355 0.2400 0.2340 -0.0369 0.0253  0.0540  29  PHE B CD1 
1014 C CD2 . PHE B 15  ? 0.1895 0.2587 0.2061 -0.0445 -0.0325 0.0822  29  PHE B CD2 
1015 C CE1 . PHE B 15  ? 0.2161 0.2696 0.2411 -0.0433 0.0325  0.0327  29  PHE B CE1 
1016 C CE2 . PHE B 15  ? 0.1956 0.2655 0.2375 -0.0613 0.0074  0.0541  29  PHE B CE2 
1017 C CZ  . PHE B 15  ? 0.2089 0.2650 0.2269 -0.0947 0.0111  0.0523  29  PHE B CZ  
1018 N N   . ILE B 16  ? 0.2008 0.2251 0.2404 0.0084  0.0045  0.0204  30  ILE B N   
1019 C CA  . ILE B 16  ? 0.2187 0.2327 0.2142 0.0169  -0.0576 0.0281  30  ILE B CA  
1020 C C   . ILE B 16  ? 0.1876 0.2080 0.2661 0.0313  -0.0112 0.0286  30  ILE B C   
1021 O O   . ILE B 16  ? 0.1850 0.2425 0.3716 0.0418  -0.0138 0.0472  30  ILE B O   
1022 C CB  . ILE B 16  ? 0.2993 0.2584 0.2598 0.0634  -0.0800 0.0389  30  ILE B CB  
1023 C CG1 . ILE B 16  ? 0.2954 0.2751 0.3094 0.0910  -0.1204 0.0680  30  ILE B CG1 
1024 C CG2 . ILE B 16  ? 0.3444 0.2730 0.2198 0.0702  -0.0386 0.0017  30  ILE B CG2 
1025 C CD1 . ILE B 16  ? 0.3380 0.2846 0.3461 0.1260  -0.0992 0.0723  30  ILE B CD1 
1026 N N   . VAL B 17  ? 0.1813 0.1884 0.1941 0.0175  -0.0194 0.0150  31  VAL B N   
1027 C CA  . VAL B 17  ? 0.1726 0.1794 0.1894 0.0429  -0.0037 0.0310  31  VAL B CA  
1028 C C   . VAL B 17  ? 0.1981 0.1844 0.1928 0.0302  -0.0004 0.0347  31  VAL B C   
1029 O O   . VAL B 17  ? 0.2136 0.1932 0.2060 0.0031  0.0245  0.0355  31  VAL B O   
1030 C CB  . VAL B 17  ? 0.2071 0.1852 0.1708 -0.0255 -0.0027 0.0174  31  VAL B CB  
1031 C CG1 . VAL B 17  ? 0.2008 0.2184 0.1803 -0.0547 -0.0301 0.0269  31  VAL B CG1 
1032 C CG2 . VAL B 17  ? 0.2026 0.2035 0.1888 0.0059  0.0001  0.0421  31  VAL B CG2 
1033 N N   . THR B 18  ? 0.2144 0.1812 0.1950 0.0509  -0.0239 0.0014  32  THR B N   
1034 C CA  . THR B 18  ? 0.2293 0.1977 0.1946 0.0108  -0.0204 -0.0284 32  THR B CA  
1035 C C   . THR B 18  ? 0.2152 0.1937 0.1909 -0.0002 -0.0057 -0.0119 32  THR B C   
1036 O O   . THR B 18  ? 0.2040 0.1952 0.1937 0.0114  0.0071  0.0116  32  THR B O   
1037 C CB  . THR B 18  ? 0.3111 0.2264 0.2075 0.0186  -0.0056 -0.0182 32  THR B CB  
1038 O OG1 . THR B 18  ? 0.3346 0.2572 0.1998 -0.0112 -0.0404 0.0119  32  THR B OG1 
1039 C CG2 . THR B 18  ? 0.3206 0.2292 0.1915 0.0304  0.0450  -0.0160 32  THR B CG2 
1040 N N   . ALA B 19  ? 0.2090 0.1922 0.1608 0.0247  -0.0108 -0.0048 33  ALA B N   
1041 C CA  . ALA B 19  ? 0.2162 0.1964 0.1773 0.0130  0.0240  -0.0232 33  ALA B CA  
1042 C C   . ALA B 19  ? 0.2693 0.1938 0.1617 0.0226  0.0688  -0.0056 33  ALA B C   
1043 O O   . ALA B 19  ? 0.3085 0.2240 0.1979 0.0030  0.0829  -0.0002 33  ALA B O   
1044 C CB  . ALA B 19  ? 0.2150 0.2178 0.2161 -0.0168 0.0436  -0.0307 33  ALA B CB  
1045 N N   . GLY B 20  ? 0.2191 0.1761 0.1703 0.0703  0.0322  -0.0242 34  GLY B N   
1046 C CA  . GLY B 20  ? 0.2289 0.1799 0.1975 0.0705  0.0528  -0.0436 34  GLY B CA  
1047 C C   . GLY B 20  ? 0.2387 0.1833 0.1945 0.0455  0.0559  -0.0235 34  GLY B C   
1048 O O   . GLY B 20  ? 0.2498 0.1771 0.1981 0.0220  0.0142  -0.0300 34  GLY B O   
1049 N N   . ALA B 21  ? 0.2988 0.1646 0.2287 0.0515  0.0702  -0.0236 35  ALA B N   
1050 C CA  . ALA B 21  ? 0.2842 0.1929 0.2149 0.0659  0.0616  -0.0240 35  ALA B CA  
1051 C C   . ALA B 21  ? 0.3069 0.1977 0.2260 0.0190  0.0611  -0.0192 35  ALA B C   
1052 O O   . ALA B 21  ? 0.2954 0.2000 0.2622 -0.0023 0.0251  -0.0205 35  ALA B O   
1053 C CB  . ALA B 21  ? 0.3225 0.1835 0.2318 0.1075  0.0599  -0.0356 35  ALA B CB  
1054 N N   . ASP B 22  ? 0.3117 0.2009 0.2074 0.0036  0.0590  -0.0319 36  ASP B N   
1055 C CA  . ASP B 22  ? 0.3031 0.2220 0.2029 -0.0051 0.0648  -0.0509 36  ASP B CA  
1056 C C   . ASP B 22  ? 0.2809 0.2096 0.2142 0.0108  0.0480  -0.0213 36  ASP B C   
1057 O O   . ASP B 22  ? 0.2900 0.1972 0.2156 0.0024  0.0536  0.0197  36  ASP B O   
1058 C CB  . ASP B 22  ? 0.3179 0.2465 0.2532 -0.0275 0.0694  -0.0557 36  ASP B CB  
1059 C CG  . ASP B 22  ? 0.3379 0.2834 0.2974 -0.0684 0.0547  -0.0688 36  ASP B CG  
1060 O OD1 . ASP B 22  ? 0.3311 0.2952 0.2634 -0.0774 0.0530  -0.0854 36  ASP B OD1 
1061 O OD2 . ASP B 22  ? 0.3593 0.3001 0.3437 -0.0644 0.0820  -0.0825 36  ASP B OD2 
1062 N N   . GLY B 23  ? 0.1976 0.1836 0.1951 0.0378  0.0185  -0.0488 37  GLY B N   
1063 C CA  . GLY B 23  ? 0.1884 0.1864 0.2013 0.0393  0.0111  -0.0493 37  GLY B CA  
1064 C C   . GLY B 23  ? 0.1780 0.1818 0.1789 0.0223  0.0132  -0.0311 37  GLY B C   
1065 O O   . GLY B 23  ? 0.1943 0.1797 0.1561 0.0166  -0.0045 -0.0218 37  GLY B O   
1066 N N   . ALA B 24  ? 0.1691 0.1559 0.1874 0.0183  0.0102  -0.0289 38  ALA B N   
1067 C CA  . ALA B 24  ? 0.1962 0.1550 0.2403 0.0113  -0.0006 -0.0352 38  ALA B CA  
1068 C C   . ALA B 24  ? 0.1953 0.1499 0.2105 0.0195  0.0139  -0.0341 38  ALA B C   
1069 O O   . ALA B 24  ? 0.2124 0.1527 0.2147 0.0057  0.0495  -0.0238 38  ALA B O   
1070 C CB  . ALA B 24  ? 0.2214 0.1910 0.3017 -0.0243 -0.0129 -0.0554 38  ALA B CB  
1071 N N   . LEU B 25  ? 0.1729 0.1841 0.1584 0.0255  -0.0049 -0.0344 39  LEU B N   
1072 C CA  . LEU B 25  ? 0.1771 0.1879 0.2000 0.0003  -0.0384 -0.0309 39  LEU B CA  
1073 C C   . LEU B 25  ? 0.1541 0.1825 0.1726 -0.0169 -0.0686 -0.0063 39  LEU B C   
1074 O O   . LEU B 25  ? 0.1728 0.1701 0.1992 -0.0207 0.0034  -0.0083 39  LEU B O   
1075 C CB  . LEU B 25  ? 0.1408 0.1775 0.1860 -0.0326 -0.0130 -0.0352 39  LEU B CB  
1076 C CG  . LEU B 25  ? 0.1730 0.1679 0.1634 -0.0247 -0.0018 -0.0130 39  LEU B CG  
1077 C CD1 . LEU B 25  ? 0.1976 0.1373 0.2011 -0.0092 -0.0185 -0.0485 39  LEU B CD1 
1078 C CD2 . LEU B 25  ? 0.1818 0.2053 0.1724 -0.0190 0.0435  0.0049  39  LEU B CD2 
1079 N N   . THR B 26  ? 0.1770 0.1788 0.1630 -0.0329 -0.0587 -0.0280 40  THR B N   
1080 C CA  . THR B 26  ? 0.1938 0.1948 0.1502 0.0040  -0.0250 -0.0226 40  THR B CA  
1081 C C   . THR B 26  ? 0.1877 0.1841 0.1737 0.0084  0.0014  0.0012  40  THR B C   
1082 O O   . THR B 26  ? 0.2221 0.2002 0.2888 0.0065  0.0073  0.0233  40  THR B O   
1083 C CB  . THR B 26  ? 0.2638 0.1957 0.1694 0.0204  -0.0076 -0.0362 40  THR B CB  
1084 O OG1 . THR B 26  ? 0.3154 0.2169 0.2351 0.0265  0.0235  -0.0285 40  THR B OG1 
1085 C CG2 . THR B 26  ? 0.2741 0.1922 0.1548 0.0129  -0.0479 -0.0443 40  THR B CG2 
1086 N N   . GLY B 27  ? 0.1511 0.1881 0.1576 0.0132  -0.0113 -0.0016 41  GLY B N   
1087 C CA  . GLY B 27  ? 0.1737 0.1776 0.1685 0.0676  -0.0094 -0.0030 41  GLY B CA  
1088 C C   . GLY B 27  ? 0.1981 0.1823 0.1694 0.0413  -0.0091 0.0096  41  GLY B C   
1089 O O   . GLY B 27  ? 0.1860 0.1791 0.1619 0.0134  -0.0302 -0.0157 41  GLY B O   
1090 N N   . THR B 28  ? 0.1704 0.1942 0.1758 0.0376  -0.0555 -0.0088 42  THR B N   
1091 C CA  . THR B 28  ? 0.1621 0.2263 0.2219 0.0145  -0.0652 -0.0222 42  THR B CA  
1092 C C   . THR B 28  ? 0.1611 0.2303 0.2366 0.0269  -0.0229 -0.0163 42  THR B C   
1093 O O   . THR B 28  ? 0.1706 0.2338 0.2700 0.0272  0.0197  -0.0094 42  THR B O   
1094 C CB  . THR B 28  ? 0.2289 0.2717 0.2645 -0.0117 -0.0711 -0.0270 42  THR B CB  
1095 O OG1 . THR B 28  ? 0.2412 0.3138 0.3161 -0.0143 -0.0868 -0.0187 42  THR B OG1 
1096 C CG2 . THR B 28  ? 0.2899 0.2693 0.2531 -0.0203 -0.1219 -0.0587 42  THR B CG2 
1097 N N   . TYR B 29  ? 0.1766 0.2301 0.2174 0.0314  -0.0315 -0.0186 43  TYR B N   
1098 C CA  . TYR B 29  ? 0.1880 0.2327 0.1945 0.0117  -0.0584 -0.0151 43  TYR B CA  
1099 C C   . TYR B 29  ? 0.1887 0.2599 0.2404 0.0211  -0.0627 0.0009  43  TYR B C   
1100 O O   . TYR B 29  ? 0.1941 0.2513 0.2633 0.0153  -0.0481 0.0154  43  TYR B O   
1101 C CB  . TYR B 29  ? 0.1921 0.2158 0.1800 -0.0175 -0.0358 0.0039  43  TYR B CB  
1102 C CG  . TYR B 29  ? 0.2058 0.2041 0.1798 -0.0098 -0.0060 -0.0183 43  TYR B CG  
1103 C CD1 . TYR B 29  ? 0.2112 0.2156 0.1735 0.0044  0.0206  -0.0131 43  TYR B CD1 
1104 C CD2 . TYR B 29  ? 0.2099 0.2033 0.1649 -0.0065 -0.0095 -0.0070 43  TYR B CD2 
1105 C CE1 . TYR B 29  ? 0.2200 0.2112 0.1881 0.0241  -0.0022 0.0170  43  TYR B CE1 
1106 C CE2 . TYR B 29  ? 0.2680 0.2227 0.1333 -0.0124 0.0189  -0.0031 43  TYR B CE2 
1107 C CZ  . TYR B 29  ? 0.2727 0.2278 0.1713 -0.0160 -0.0115 -0.0156 43  TYR B CZ  
1108 O OH  . TYR B 29  ? 0.2715 0.2388 0.1801 -0.0038 -0.0390 -0.0157 43  TYR B OH  
1109 N N   . GLU B 30  ? 0.2099 0.3124 0.2634 0.0553  -0.0727 0.0339  44  GLU B N   
1110 C CA  . GLU B 30  ? 0.2416 0.3619 0.3379 0.0913  -0.0493 0.0051  44  GLU B CA  
1111 C C   . GLU B 30  ? 0.2864 0.3818 0.4443 0.1407  -0.0253 -0.0346 44  GLU B C   
1112 O O   . GLU B 30  ? 0.2555 0.3663 0.4660 0.1450  -0.0088 -0.0294 44  GLU B O   
1113 C CB  . GLU B 30  ? 0.3362 0.3889 0.3433 0.1036  -0.0228 0.0119  44  GLU B CB  
1114 C CG  . GLU B 30  ? 0.3542 0.4061 0.3538 0.1384  -0.0658 0.0119  44  GLU B CG  
1115 C CD  . GLU B 30  ? 0.4087 0.4202 0.3254 0.1689  -0.0904 0.0325  44  GLU B CD  
1116 O OE1 . GLU B 30  ? 0.4200 0.4279 0.3393 0.1928  -0.1064 0.0471  44  GLU B OE1 
1117 O OE2 . GLU B 30  ? 0.4629 0.4334 0.3051 0.1583  -0.0848 0.0295  44  GLU B OE2 
1118 N N   . SER B 31  ? 0.3793 0.4406 0.5402 0.0810  0.0057  -0.0691 45  SER B N   
1119 C CA  . SER B 31  ? 0.4920 0.4725 0.5885 0.0734  0.0599  -0.0698 45  SER B CA  
1120 C C   . SER B 31  ? 0.5442 0.4881 0.6108 0.0609  0.0782  -0.0575 45  SER B C   
1121 O O   . SER B 31  ? 0.5681 0.5004 0.6147 0.0393  0.0871  -0.0415 45  SER B O   
1122 C CB  . SER B 31  ? 0.5689 0.4934 0.6119 0.0541  0.0914  -0.0751 45  SER B CB  
1123 O OG  . SER B 31  ? 0.6090 0.5034 0.6228 0.0404  0.0961  -0.0621 45  SER B OG  
1124 N N   . GLY B 34  ? 0.7350 0.7436 0.7966 -0.0128 0.0264  0.0267  48  GLY B N   
1125 C CA  . GLY B 34  ? 0.7328 0.7425 0.7879 -0.0151 0.0237  0.0462  48  GLY B CA  
1126 C C   . GLY B 34  ? 0.7281 0.7380 0.7703 -0.0172 0.0229  0.0710  48  GLY B C   
1127 O O   . GLY B 34  ? 0.7191 0.7384 0.7649 -0.0318 0.0286  0.0841  48  GLY B O   
1128 N N   . ASN B 35  ? 0.7323 0.7322 0.7598 0.0038  0.0140  0.0816  49  ASN B N   
1129 C CA  . ASN B 35  ? 0.7205 0.7239 0.7389 0.0138  0.0016  0.0778  49  ASN B CA  
1130 C C   . ASN B 35  ? 0.6918 0.7094 0.6985 0.0303  0.0038  0.0657  49  ASN B C   
1131 O O   . ASN B 35  ? 0.6799 0.7094 0.6885 0.0413  0.0003  0.0643  49  ASN B O   
1132 C CB  . ASN B 35  ? 0.7498 0.7356 0.7667 0.0106  -0.0066 0.0780  49  ASN B CB  
1133 C CG  . ASN B 35  ? 0.7715 0.7480 0.7914 0.0052  -0.0202 0.0676  49  ASN B CG  
1134 O OD1 . ASN B 35  ? 0.7788 0.7514 0.7938 0.0077  -0.0331 0.0681  49  ASN B OD1 
1135 N ND2 . ASN B 35  ? 0.7804 0.7545 0.8057 0.0020  -0.0182 0.0610  49  ASN B ND2 
1136 N N   . ALA B 36  ? 0.6696 0.6903 0.6493 0.0346  0.0055  0.0681  50  ALA B N   
1137 C CA  . ALA B 36  ? 0.6396 0.6746 0.6014 0.0390  0.0317  0.0700  50  ALA B CA  
1138 C C   . ALA B 36  ? 0.5768 0.6553 0.5536 0.0773  0.0081  0.0573  50  ALA B C   
1139 O O   . ALA B 36  ? 0.5793 0.6505 0.5369 0.0803  0.0227  0.0395  50  ALA B O   
1140 C CB  . ALA B 36  ? 0.6392 0.6750 0.5894 0.0143  0.0359  0.0823  50  ALA B CB  
1141 N N   . GLU B 37  ? 0.5165 0.6389 0.5092 0.1178  -0.0575 0.0743  51  GLU B N   
1142 C CA  . GLU B 37  ? 0.4830 0.6145 0.4853 0.1148  -0.0688 0.0840  51  GLU B CA  
1143 C C   . GLU B 37  ? 0.4129 0.5426 0.4141 0.1035  -0.0498 0.0910  51  GLU B C   
1144 O O   . GLU B 37  ? 0.4105 0.5361 0.4030 0.0741  0.0223  0.0660  51  GLU B O   
1145 C CB  . GLU B 37  ? 0.5271 0.6597 0.5540 0.1140  -0.0728 0.0889  51  GLU B CB  
1146 C CG  . GLU B 37  ? 0.5916 0.7016 0.6097 0.0835  -0.0670 0.0868  51  GLU B CG  
1147 C CD  . GLU B 37  ? 0.6075 0.7442 0.6703 0.0613  -0.0888 0.0892  51  GLU B CD  
1148 O OE1 . GLU B 37  ? 0.5848 0.7591 0.6929 0.0518  -0.1212 0.0943  51  GLU B OE1 
1149 O OE2 . GLU B 37  ? 0.6121 0.7639 0.6898 0.0574  -0.1059 0.0852  51  GLU B OE2 
1150 N N   . SER B 38  ? 0.3307 0.4781 0.3612 0.1114  -0.0934 0.1181  52  SER B N   
1151 C CA  . SER B 38  ? 0.3454 0.4331 0.4092 0.0944  -0.0475 0.0777  52  SER B CA  
1152 C C   . SER B 38  ? 0.2450 0.3924 0.3438 0.0792  -0.0772 0.0686  52  SER B C   
1153 O O   . SER B 38  ? 0.2154 0.3900 0.3518 0.0228  -0.0484 0.0486  52  SER B O   
1154 C CB  . SER B 38  ? 0.4406 0.4349 0.4682 0.0853  -0.0204 0.0769  52  SER B CB  
1155 O OG  . SER B 38  ? 0.5311 0.4410 0.5323 0.0710  -0.0478 0.0648  52  SER B OG  
1156 N N   . ARG B 39  ? 0.2120 0.3716 0.3177 0.0518  -0.0631 0.0167  53  ARG B N   
1157 C CA  . ARG B 39  ? 0.2052 0.3660 0.2900 0.0248  -0.0840 -0.0178 53  ARG B CA  
1158 C C   . ARG B 39  ? 0.1977 0.3226 0.2383 0.0140  -0.0646 -0.0268 53  ARG B C   
1159 O O   . ARG B 39  ? 0.1765 0.3344 0.2474 0.0076  -0.0511 -0.0119 53  ARG B O   
1160 C CB  . ARG B 39  ? 0.2762 0.4127 0.3389 0.0292  -0.0744 -0.0381 53  ARG B CB  
1161 C CG  . ARG B 39  ? 0.3685 0.4574 0.3616 0.0353  -0.0748 -0.0560 53  ARG B CG  
1162 C CD  . ARG B 39  ? 0.4779 0.5045 0.4375 0.0232  -0.0452 -0.0585 53  ARG B CD  
1163 N NE  . ARG B 39  ? 0.5690 0.5383 0.4981 0.0292  -0.0201 -0.0512 53  ARG B NE  
1164 C CZ  . ARG B 39  ? 0.6036 0.5565 0.5182 0.0339  -0.0138 -0.0542 53  ARG B CZ  
1165 N NH1 . ARG B 39  ? 0.6054 0.5628 0.5415 0.0409  -0.0048 -0.0629 53  ARG B NH1 
1166 N NH2 . ARG B 39  ? 0.6276 0.5663 0.5075 0.0242  -0.0203 -0.0538 53  ARG B NH2 
1167 N N   . TYR B 40  ? 0.1742 0.2635 0.1788 0.0180  -0.0480 -0.0138 54  TYR B N   
1168 C CA  . TYR B 40  ? 0.1885 0.2157 0.1925 0.0217  -0.0368 -0.0012 54  TYR B CA  
1169 C C   . TYR B 40  ? 0.1910 0.2052 0.1735 0.0070  -0.0084 -0.0008 54  TYR B C   
1170 O O   . TYR B 40  ? 0.2142 0.1959 0.1946 -0.0041 0.0083  -0.0028 54  TYR B O   
1171 C CB  . TYR B 40  ? 0.1810 0.2206 0.2008 0.0507  -0.0332 0.0031  54  TYR B CB  
1172 C CG  . TYR B 40  ? 0.1708 0.2373 0.2020 0.0180  -0.0271 -0.0304 54  TYR B CG  
1173 C CD1 . TYR B 40  ? 0.2111 0.2448 0.1981 0.0138  -0.0408 -0.0135 54  TYR B CD1 
1174 C CD2 . TYR B 40  ? 0.1745 0.2563 0.1915 0.0208  0.0043  -0.0375 54  TYR B CD2 
1175 C CE1 . TYR B 40  ? 0.2040 0.2483 0.2089 0.0307  -0.0117 -0.0086 54  TYR B CE1 
1176 C CE2 . TYR B 40  ? 0.1661 0.2735 0.1907 0.0633  -0.0294 -0.0342 54  TYR B CE2 
1177 C CZ  . TYR B 40  ? 0.2110 0.2900 0.2082 0.0772  -0.0159 -0.0098 54  TYR B CZ  
1178 O OH  . TYR B 40  ? 0.2384 0.3507 0.2421 0.0822  0.0140  0.0146  54  TYR B OH  
1179 N N   . VAL B 41  ? 0.1982 0.2004 0.1629 0.0116  -0.0052 -0.0083 55  VAL B N   
1180 C CA  . VAL B 41  ? 0.1762 0.2100 0.1585 0.0030  -0.0087 -0.0130 55  VAL B CA  
1181 C C   . VAL B 41  ? 0.1265 0.2216 0.1613 -0.0027 0.0016  -0.0073 55  VAL B C   
1182 O O   . VAL B 41  ? 0.1706 0.2461 0.1615 0.0338  -0.0063 -0.0137 55  VAL B O   
1183 C CB  . VAL B 41  ? 0.2170 0.2223 0.1650 0.0184  -0.0122 -0.0006 55  VAL B CB  
1184 C CG1 . VAL B 41  ? 0.1731 0.2391 0.1616 0.0369  -0.0279 0.0126  55  VAL B CG1 
1185 C CG2 . VAL B 41  ? 0.2341 0.2424 0.1670 -0.0077 -0.0175 -0.0448 55  VAL B CG2 
1186 N N   . LEU B 42  ? 0.1470 0.2357 0.1595 0.0105  -0.0375 -0.0204 56  LEU B N   
1187 C CA  . LEU B 42  ? 0.1813 0.2378 0.1879 0.0145  -0.0228 -0.0460 56  LEU B CA  
1188 C C   . LEU B 42  ? 0.1524 0.2399 0.1614 0.0155  -0.0307 -0.0266 56  LEU B C   
1189 O O   . LEU B 42  ? 0.2048 0.2612 0.1691 0.0337  -0.0393 -0.0266 56  LEU B O   
1190 C CB  . LEU B 42  ? 0.2026 0.2101 0.2432 -0.0114 -0.0210 -0.0646 56  LEU B CB  
1191 C CG  . LEU B 42  ? 0.1943 0.2111 0.2304 -0.0033 0.0091  -0.0175 56  LEU B CG  
1192 C CD1 . LEU B 42  ? 0.1566 0.2165 0.1751 0.0394  0.0030  -0.0424 56  LEU B CD1 
1193 C CD2 . LEU B 42  ? 0.2664 0.2272 0.2986 -0.0076 -0.0119 -0.0149 56  LEU B CD2 
1194 N N   A THR B 43  ? 0.1521 0.2263 0.1862 -0.0098 -0.0283 -0.0323 57  THR B N   
1195 N N   B THR B 43  ? 0.1603 0.2497 0.1677 -0.0220 -0.0213 -0.0223 57  THR B N   
1196 C CA  A THR B 43  ? 0.1357 0.1990 0.2014 -0.0165 -0.0232 -0.0437 57  THR B CA  
1197 C CA  B THR B 43  ? 0.1372 0.2408 0.1534 -0.0361 -0.0148 -0.0327 57  THR B CA  
1198 C C   A THR B 43  ? 0.1250 0.1925 0.1816 -0.0115 0.0059  -0.0445 57  THR B C   
1199 C C   B THR B 43  ? 0.1189 0.2046 0.1560 -0.0254 0.0149  -0.0268 57  THR B C   
1200 O O   A THR B 43  ? 0.1300 0.1935 0.1685 0.0035  0.0050  -0.0609 57  THR B O   
1201 O O   B THR B 43  ? 0.1210 0.1957 0.1434 -0.0031 -0.0203 -0.0344 57  THR B O   
1202 C CB  A THR B 43  ? 0.1802 0.2012 0.2448 -0.0340 -0.0260 -0.0405 57  THR B CB  
1203 C CB  B THR B 43  ? 0.2033 0.3001 0.1507 -0.0687 -0.0163 -0.0314 57  THR B CB  
1204 O OG1 A THR B 43  ? 0.1889 0.1764 0.2390 -0.0439 -0.0484 -0.0399 57  THR B OG1 
1205 O OG1 B THR B 43  ? 0.2492 0.3148 0.1980 -0.0491 -0.0052 -0.0350 57  THR B OG1 
1206 C CG2 A THR B 43  ? 0.1960 0.2093 0.2628 -0.0217 -0.0117 -0.0336 57  THR B CG2 
1207 C CG2 B THR B 43  ? 0.2254 0.3211 0.1109 -0.0968 -0.0347 -0.0047 57  THR B CG2 
1208 N N   . GLY B 44  ? 0.1238 0.1891 0.1780 0.0027  0.0018  -0.0425 58  GLY B N   
1209 C CA  . GLY B 44  ? 0.1416 0.1936 0.1638 0.0231  -0.0252 -0.0068 58  GLY B CA  
1210 C C   . GLY B 44  ? 0.1463 0.1887 0.1223 0.0242  0.0115  -0.0014 58  GLY B C   
1211 O O   . GLY B 44  ? 0.1785 0.2044 0.1164 0.0379  0.0078  -0.0095 58  GLY B O   
1212 N N   . ARG B 45  ? 0.1425 0.1779 0.1353 0.0197  -0.0279 -0.0018 59  ARG B N   
1213 C CA  . ARG B 45  ? 0.1284 0.1813 0.1747 0.0059  -0.0033 0.0093  59  ARG B CA  
1214 C C   . ARG B 45  ? 0.1184 0.1891 0.1825 0.0009  0.0102  -0.0151 59  ARG B C   
1215 O O   . ARG B 45  ? 0.1479 0.1986 0.1985 -0.0018 0.0076  -0.0472 59  ARG B O   
1216 C CB  . ARG B 45  ? 0.1624 0.1746 0.1827 0.0086  0.0253  -0.0001 59  ARG B CB  
1217 C CG  . ARG B 45  ? 0.1626 0.1451 0.2182 0.0248  0.0403  -0.0051 59  ARG B CG  
1218 C CD  . ARG B 45  ? 0.1580 0.1486 0.2295 0.0511  0.0129  -0.0160 59  ARG B CD  
1219 N NE  . ARG B 45  ? 0.1795 0.1323 0.2065 0.0432  0.0165  -0.0171 59  ARG B NE  
1220 C CZ  . ARG B 45  ? 0.2227 0.1657 0.2157 0.0536  0.0226  -0.0101 59  ARG B CZ  
1221 N NH1 . ARG B 45  ? 0.2568 0.1747 0.1825 0.0588  0.0250  0.0135  59  ARG B NH1 
1222 N NH2 . ARG B 45  ? 0.2641 0.1874 0.2194 0.0891  0.0434  0.0110  59  ARG B NH2 
1223 N N   . TYR B 46  ? 0.1092 0.1950 0.1772 0.0152  -0.0050 -0.0020 60  TYR B N   
1224 C CA  . TYR B 46  ? 0.1205 0.1963 0.1640 0.0387  -0.0152 0.0008  60  TYR B CA  
1225 C C   . TYR B 46  ? 0.1415 0.1733 0.1881 0.0476  -0.0109 -0.0203 60  TYR B C   
1226 O O   . TYR B 46  ? 0.1816 0.1480 0.2156 0.0397  0.0135  -0.0179 60  TYR B O   
1227 C CB  . TYR B 46  ? 0.1675 0.1832 0.1530 0.0349  0.0009  -0.0112 60  TYR B CB  
1228 C CG  . TYR B 46  ? 0.1368 0.1781 0.1552 0.0420  -0.0047 -0.0214 60  TYR B CG  
1229 C CD1 . TYR B 46  ? 0.1587 0.1715 0.1700 0.0222  0.0103  -0.0228 60  TYR B CD1 
1230 C CD2 . TYR B 46  ? 0.1545 0.1897 0.1919 0.0684  0.0324  -0.0140 60  TYR B CD2 
1231 C CE1 . TYR B 46  ? 0.1759 0.1842 0.1745 0.0260  0.0223  -0.0054 60  TYR B CE1 
1232 C CE2 . TYR B 46  ? 0.1623 0.1792 0.1776 0.0244  0.0337  -0.0347 60  TYR B CE2 
1233 C CZ  . TYR B 46  ? 0.1670 0.1990 0.1815 0.0051  0.0275  -0.0285 60  TYR B CZ  
1234 O OH  . TYR B 46  ? 0.1735 0.2035 0.2258 0.0180  0.0160  -0.0221 60  TYR B OH  
1235 N N   . ASP B 47  ? 0.1312 0.1835 0.1930 0.0530  -0.0028 -0.0222 61  ASP B N   
1236 C CA  . ASP B 47  ? 0.1561 0.1789 0.1972 0.0642  -0.0099 -0.0184 61  ASP B CA  
1237 C C   . ASP B 47  ? 0.1546 0.1555 0.1871 0.0418  0.0202  -0.0380 61  ASP B C   
1238 O O   . ASP B 47  ? 0.1574 0.1406 0.2170 -0.0014 0.0073  -0.0268 61  ASP B O   
1239 C CB  . ASP B 47  ? 0.1407 0.2034 0.2254 0.0453  -0.0523 -0.0448 61  ASP B CB  
1240 C CG  . ASP B 47  ? 0.1645 0.2278 0.2438 0.0446  -0.0034 -0.0495 61  ASP B CG  
1241 O OD1 . ASP B 47  ? 0.1469 0.2218 0.2575 0.0729  -0.0329 -0.0464 61  ASP B OD1 
1242 O OD2 . ASP B 47  ? 0.1454 0.2461 0.2242 0.0380  -0.0328 -0.0222 61  ASP B OD2 
1243 N N   . SER B 48  ? 0.1468 0.2010 0.1714 0.0857  -0.0127 -0.0658 62  SER B N   
1244 C CA  . SER B 48  ? 0.1465 0.2175 0.1694 0.0425  -0.0173 -0.0638 62  SER B CA  
1245 C C   . SER B 48  ? 0.1539 0.2440 0.2042 0.0366  -0.0010 -0.0683 62  SER B C   
1246 O O   . SER B 48  ? 0.1479 0.2625 0.2380 0.0353  0.0189  -0.0708 62  SER B O   
1247 C CB  . SER B 48  ? 0.2203 0.1967 0.1837 0.0352  -0.0080 -0.0484 62  SER B CB  
1248 O OG  . SER B 48  ? 0.2411 0.1886 0.2330 0.0151  0.0103  -0.0491 62  SER B OG  
1249 N N   . ALA B 49  ? 0.1459 0.2372 0.2242 0.0496  -0.0484 -0.0550 63  ALA B N   
1250 C CA  . ALA B 49  ? 0.1351 0.2103 0.2408 0.0397  -0.0382 -0.0612 63  ALA B CA  
1251 C C   . ALA B 49  ? 0.1447 0.2413 0.2513 0.0146  -0.0092 -0.0507 63  ALA B C   
1252 O O   . ALA B 49  ? 0.1997 0.2593 0.2244 0.0467  -0.0167 -0.0469 63  ALA B O   
1253 C CB  . ALA B 49  ? 0.1656 0.2067 0.2886 0.0769  -0.0198 -0.0405 63  ALA B CB  
1254 N N   . PRO B 50  ? 0.1218 0.2206 0.2541 0.0333  -0.0131 -0.0351 64  PRO B N   
1255 C CA  . PRO B 50  ? 0.1170 0.2293 0.2884 0.0084  -0.0337 -0.0451 64  PRO B CA  
1256 C C   . PRO B 50  ? 0.1445 0.2583 0.3013 0.0203  -0.0447 -0.0363 64  PRO B C   
1257 O O   . PRO B 50  ? 0.1469 0.2878 0.3460 0.0105  -0.0232 -0.0448 64  PRO B O   
1258 C CB  . PRO B 50  ? 0.1522 0.2183 0.2767 0.0272  -0.0607 -0.0451 64  PRO B CB  
1259 C CG  . PRO B 50  ? 0.1339 0.1931 0.2565 0.0003  -0.0279 -0.0572 64  PRO B CG  
1260 C CD  . PRO B 50  ? 0.1608 0.1952 0.2778 0.0398  -0.0009 -0.0358 64  PRO B CD  
1261 N N   . ALA B 51  ? 0.1401 0.2602 0.3036 0.0169  -0.0376 -0.0550 65  ALA B N   
1262 C CA  . ALA B 51  ? 0.1204 0.2774 0.3030 0.0072  -0.0165 -0.0688 65  ALA B CA  
1263 C C   . ALA B 51  ? 0.1417 0.3029 0.3206 0.0036  -0.0029 -0.0531 65  ALA B C   
1264 O O   . ALA B 51  ? 0.2078 0.3014 0.3003 0.0148  0.0322  -0.0544 65  ALA B O   
1265 C CB  . ALA B 51  ? 0.1762 0.2918 0.3207 0.0026  -0.0210 -0.0639 65  ALA B CB  
1266 N N   . THR B 52  ? 0.1602 0.3514 0.3381 -0.0076 -0.0003 -0.0661 66  THR B N   
1267 C CA  . THR B 52  ? 0.1975 0.4054 0.3393 -0.0297 0.0447  -0.0798 66  THR B CA  
1268 C C   . THR B 52  ? 0.1741 0.4082 0.3275 -0.0277 0.0655  -0.0694 66  THR B C   
1269 O O   . THR B 52  ? 0.1631 0.4359 0.3177 0.0074  0.0607  -0.0484 66  THR B O   
1270 C CB  . THR B 52  ? 0.2457 0.4547 0.3837 -0.0446 0.0587  -0.0951 66  THR B CB  
1271 O OG1 . THR B 52  ? 0.3528 0.4859 0.3962 -0.0144 0.0348  -0.1345 66  THR B OG1 
1272 C CG2 . THR B 52  ? 0.2542 0.4702 0.4080 -0.0379 0.0369  -0.0643 66  THR B CG2 
1273 N N   . ASP B 53  ? 0.1585 0.3677 0.3081 -0.0076 0.0608  -0.0513 67  ASP B N   
1274 C CA  . ASP B 53  ? 0.1166 0.3533 0.2974 -0.0426 0.0145  -0.0384 67  ASP B CA  
1275 C C   . ASP B 53  ? 0.1303 0.3567 0.3126 -0.0240 0.0138  -0.0154 67  ASP B C   
1276 O O   . ASP B 53  ? 0.1664 0.3527 0.3881 -0.0448 -0.0040 -0.0368 67  ASP B O   
1277 C CB  . ASP B 53  ? 0.1307 0.3392 0.2871 -0.0153 0.0229  -0.0391 67  ASP B CB  
1278 C CG  . ASP B 53  ? 0.1334 0.3257 0.2608 -0.0065 0.0138  -0.0309 67  ASP B CG  
1279 O OD1 . ASP B 53  ? 0.1039 0.3245 0.2784 -0.0201 0.0045  -0.0181 67  ASP B OD1 
1280 O OD2 . ASP B 53  ? 0.1353 0.3356 0.2602 0.0253  0.0225  -0.0371 67  ASP B OD2 
1281 N N   . GLY B 54  ? 0.1212 0.3528 0.2889 -0.0005 0.0285  0.0359  68  GLY B N   
1282 C CA  . GLY B 54  ? 0.1495 0.3367 0.2881 0.0193  0.0461  0.0460  68  GLY B CA  
1283 C C   . GLY B 54  ? 0.1316 0.3265 0.3001 -0.0027 0.0460  0.0624  68  GLY B C   
1284 O O   . GLY B 54  ? 0.2101 0.3324 0.3211 -0.0095 0.0497  0.0708  68  GLY B O   
1285 N N   . SER B 55  ? 0.1462 0.3178 0.2341 -0.0304 0.0172  0.0440  69  SER B N   
1286 C CA  . SER B 55  ? 0.1021 0.3139 0.2119 -0.0295 0.0270  0.0646  69  SER B CA  
1287 C C   . SER B 55  ? 0.0856 0.2924 0.2162 -0.0143 0.0102  0.0227  69  SER B C   
1288 O O   . SER B 55  ? 0.1227 0.2995 0.1854 -0.0114 0.0301  -0.0120 69  SER B O   
1289 C CB  . SER B 55  ? 0.1292 0.3508 0.2237 -0.0340 0.0063  0.0554  69  SER B CB  
1290 O OG  . SER B 55  ? 0.1787 0.3879 0.2604 -0.0064 0.0071  0.0065  69  SER B OG  
1291 N N   . GLY B 56  ? 0.0766 0.2694 0.2255 -0.0343 0.0164  0.0010  70  GLY B N   
1292 C CA  . GLY B 56  ? 0.0716 0.2421 0.2190 0.0091  0.0095  -0.0044 70  GLY B CA  
1293 C C   . GLY B 56  ? 0.1127 0.2223 0.2075 0.0109  0.0263  -0.0117 70  GLY B C   
1294 O O   . GLY B 56  ? 0.1340 0.2350 0.1951 0.0357  0.0091  -0.0262 70  GLY B O   
1295 N N   . THR B 57  ? 0.1142 0.1913 0.1944 -0.0276 0.0130  -0.0081 71  THR B N   
1296 C CA  . THR B 57  ? 0.1563 0.1755 0.1538 -0.0305 0.0180  -0.0335 71  THR B CA  
1297 C C   . THR B 57  ? 0.1335 0.1782 0.1406 0.0011  0.0212  0.0066  71  THR B C   
1298 O O   . THR B 57  ? 0.1119 0.1870 0.1825 0.0010  0.0166  -0.0336 71  THR B O   
1299 C CB  . THR B 57  ? 0.1404 0.1624 0.1637 -0.0113 0.0184  -0.0440 71  THR B CB  
1300 O OG1 . THR B 57  ? 0.1542 0.1894 0.1952 0.0296  0.0505  -0.0179 71  THR B OG1 
1301 C CG2 . THR B 57  ? 0.1902 0.1495 0.1717 -0.0502 -0.0101 -0.0569 71  THR B CG2 
1302 N N   . ALA B 58  ? 0.1627 0.1871 0.1440 0.0040  -0.0091 0.0083  72  ALA B N   
1303 C CA  . ALA B 58  ? 0.1241 0.1616 0.1448 0.0074  0.0048  0.0093  72  ALA B CA  
1304 C C   . ALA B 58  ? 0.1135 0.1669 0.1716 0.0322  -0.0027 -0.0129 72  ALA B C   
1305 O O   . ALA B 58  ? 0.1416 0.1402 0.2079 0.0513  0.0092  -0.0335 72  ALA B O   
1306 C CB  . ALA B 58  ? 0.1715 0.1658 0.1989 -0.0172 0.0244  0.0179  72  ALA B CB  
1307 N N   . LEU B 59  ? 0.1002 0.1715 0.1507 0.0157  -0.0039 0.0011  73  LEU B N   
1308 C CA  . LEU B 59  ? 0.0899 0.1879 0.1535 0.0109  0.0098  0.0131  73  LEU B CA  
1309 C C   . LEU B 59  ? 0.1282 0.1863 0.1586 0.0321  0.0089  -0.0157 73  LEU B C   
1310 O O   . LEU B 59  ? 0.1645 0.1955 0.1925 0.0283  -0.0129 -0.0561 73  LEU B O   
1311 C CB  . LEU B 59  ? 0.1940 0.1906 0.1476 0.0100  0.0270  0.0501  73  LEU B CB  
1312 C CG  . LEU B 59  ? 0.3049 0.1957 0.1968 0.0541  0.0829  0.0652  73  LEU B CG  
1313 C CD1 . LEU B 59  ? 0.3368 0.1985 0.2768 0.0593  0.0944  0.0564  73  LEU B CD1 
1314 C CD2 . LEU B 59  ? 0.3771 0.2013 0.1893 -0.0014 0.1089  0.0591  73  LEU B CD2 
1315 N N   . GLY B 60  ? 0.1332 0.1791 0.1454 0.0379  -0.0173 -0.0066 74  GLY B N   
1316 C CA  . GLY B 60  ? 0.1305 0.1904 0.1626 0.0366  -0.0060 0.0043  74  GLY B CA  
1317 C C   . GLY B 60  ? 0.1189 0.1683 0.1543 0.0459  -0.0139 0.0144  74  GLY B C   
1318 O O   . GLY B 60  ? 0.1811 0.1534 0.1603 0.0309  0.0249  -0.0227 74  GLY B O   
1319 N N   . TRP B 61  ? 0.1274 0.1792 0.1372 0.0206  -0.0362 0.0016  75  TRP B N   
1320 C CA  . TRP B 61  ? 0.0966 0.1576 0.1443 0.0162  -0.0199 0.0062  75  TRP B CA  
1321 C C   . TRP B 61  ? 0.1172 0.1579 0.1677 0.0355  -0.0070 -0.0089 75  TRP B C   
1322 O O   . TRP B 61  ? 0.1388 0.1536 0.1430 -0.0025 0.0018  -0.0111 75  TRP B O   
1323 C CB  . TRP B 61  ? 0.1783 0.1570 0.1473 0.0333  -0.0318 -0.0117 75  TRP B CB  
1324 C CG  . TRP B 61  ? 0.1754 0.1543 0.1472 0.0197  -0.0128 -0.0241 75  TRP B CG  
1325 C CD1 . TRP B 61  ? 0.2138 0.1394 0.1263 0.0058  -0.0021 0.0026  75  TRP B CD1 
1326 C CD2 . TRP B 61  ? 0.1287 0.1561 0.1496 0.0258  -0.0190 -0.0286 75  TRP B CD2 
1327 N NE1 . TRP B 61  ? 0.1711 0.1426 0.1453 0.0058  -0.0076 -0.0070 75  TRP B NE1 
1328 C CE2 . TRP B 61  ? 0.1584 0.1599 0.1437 0.0224  0.0102  -0.0018 75  TRP B CE2 
1329 C CE3 . TRP B 61  ? 0.1490 0.1807 0.1377 -0.0135 -0.0396 -0.0252 75  TRP B CE3 
1330 C CZ2 . TRP B 61  ? 0.2200 0.1746 0.1343 0.0265  0.0248  -0.0048 75  TRP B CZ2 
1331 C CZ3 . TRP B 61  ? 0.1464 0.1798 0.1754 0.0128  0.0013  -0.0060 75  TRP B CZ3 
1332 C CH2 . TRP B 61  ? 0.1970 0.1775 0.1418 -0.0046 0.0290  0.0038  75  TRP B CH2 
1333 N N   . THR B 62  ? 0.1089 0.1391 0.1768 0.0075  -0.0015 -0.0006 76  THR B N   
1334 C CA  . THR B 62  ? 0.1095 0.1377 0.1576 0.0068  0.0078  0.0104  76  THR B CA  
1335 C C   . THR B 62  ? 0.1240 0.1341 0.1840 0.0264  -0.0258 -0.0132 76  THR B C   
1336 O O   . THR B 62  ? 0.1642 0.1671 0.1777 0.0176  -0.0070 -0.0198 76  THR B O   
1337 C CB  . THR B 62  ? 0.1543 0.1476 0.1564 0.0159  0.0014  0.0124  76  THR B CB  
1338 O OG1 . THR B 62  ? 0.1481 0.1606 0.1644 0.0214  -0.0112 0.0204  76  THR B OG1 
1339 C CG2 . THR B 62  ? 0.1603 0.1675 0.1596 0.0074  0.0251  -0.0105 76  THR B CG2 
1340 N N   . VAL B 63  ? 0.1285 0.1497 0.1408 0.0193  -0.0472 -0.0161 77  VAL B N   
1341 C CA  . VAL B 63  ? 0.1368 0.1720 0.1992 0.0092  -0.0188 -0.0245 77  VAL B CA  
1342 C C   . VAL B 63  ? 0.1332 0.1864 0.1967 0.0115  0.0238  -0.0547 77  VAL B C   
1343 O O   . VAL B 63  ? 0.1558 0.2011 0.1986 0.0299  0.0081  -0.0491 77  VAL B O   
1344 C CB  . VAL B 63  ? 0.1466 0.1763 0.2071 0.0310  -0.0417 0.0080  77  VAL B CB  
1345 C CG1 . VAL B 63  ? 0.1700 0.1933 0.2135 0.0380  -0.0593 -0.0316 77  VAL B CG1 
1346 C CG2 . VAL B 63  ? 0.1437 0.1893 0.2140 0.0190  0.0122  0.0026  77  VAL B CG2 
1347 N N   . ALA B 64  ? 0.1379 0.1928 0.2069 0.0019  0.0247  -0.0544 78  ALA B N   
1348 C CA  . ALA B 64  ? 0.1115 0.2132 0.2106 -0.0179 -0.0035 -0.0499 78  ALA B CA  
1349 C C   . ALA B 64  ? 0.1326 0.2312 0.1926 0.0194  -0.0047 -0.0416 78  ALA B C   
1350 O O   . ALA B 64  ? 0.1682 0.2409 0.1965 0.0243  -0.0091 -0.0537 78  ALA B O   
1351 C CB  . ALA B 64  ? 0.1092 0.2457 0.2124 -0.0265 -0.0018 -0.0794 78  ALA B CB  
1352 N N   . TRP B 65  ? 0.1276 0.2303 0.1972 0.0161  0.0115  -0.0151 79  TRP B N   
1353 C CA  . TRP B 65  ? 0.1203 0.2435 0.1994 0.0166  -0.0124 -0.0587 79  TRP B CA  
1354 C C   . TRP B 65  ? 0.1461 0.2548 0.2100 -0.0025 0.0002  -0.0441 79  TRP B C   
1355 O O   . TRP B 65  ? 0.1513 0.2176 0.2108 -0.0117 -0.0092 -0.0258 79  TRP B O   
1356 C CB  . TRP B 65  ? 0.1089 0.2212 0.2035 0.0211  -0.0174 -0.0498 79  TRP B CB  
1357 C CG  . TRP B 65  ? 0.1255 0.2063 0.1786 0.0171  -0.0002 -0.0326 79  TRP B CG  
1358 C CD1 . TRP B 65  ? 0.1354 0.2021 0.1682 -0.0084 -0.0109 -0.0303 79  TRP B CD1 
1359 C CD2 . TRP B 65  ? 0.1411 0.1911 0.1792 0.0249  0.0123  -0.0248 79  TRP B CD2 
1360 N NE1 . TRP B 65  ? 0.1322 0.2232 0.1698 -0.0034 0.0407  -0.0147 79  TRP B NE1 
1361 C CE2 . TRP B 65  ? 0.1367 0.1936 0.1658 0.0073  0.0205  -0.0155 79  TRP B CE2 
1362 C CE3 . TRP B 65  ? 0.1967 0.1944 0.1994 0.0239  0.0062  -0.0198 79  TRP B CE3 
1363 C CZ2 . TRP B 65  ? 0.2175 0.1936 0.1781 -0.0062 0.0063  -0.0271 79  TRP B CZ2 
1364 C CZ3 . TRP B 65  ? 0.2449 0.2067 0.2138 -0.0162 -0.0210 -0.0100 79  TRP B CZ3 
1365 C CH2 . TRP B 65  ? 0.2021 0.1950 0.2071 -0.0235 -0.0144 0.0057  79  TRP B CH2 
1366 N N   . LYS B 66  ? 0.1573 0.2955 0.1931 -0.0151 -0.0121 -0.0805 80  LYS B N   
1367 C CA  . LYS B 66  ? 0.1450 0.3047 0.1897 -0.0285 -0.0174 -0.0729 80  LYS B CA  
1368 C C   . LYS B 66  ? 0.1204 0.3166 0.1907 -0.0108 -0.0129 -0.0411 80  LYS B C   
1369 O O   . LYS B 66  ? 0.1141 0.3077 0.1993 -0.0138 -0.0153 -0.0367 80  LYS B O   
1370 C CB  . LYS B 66  ? 0.1627 0.3126 0.2179 -0.0176 0.0015  -0.0656 80  LYS B CB  
1371 C CG  . LYS B 66  ? 0.1829 0.3147 0.2500 -0.0517 -0.0204 -0.0299 80  LYS B CG  
1372 C CD  . LYS B 66  ? 0.2713 0.3490 0.3019 -0.1290 -0.0201 -0.0607 80  LYS B CD  
1373 C CE  . LYS B 66  ? 0.3374 0.3832 0.3572 -0.1676 0.0350  -0.0620 80  LYS B CE  
1374 N NZ  . LYS B 66  ? 0.4159 0.4158 0.3533 -0.1792 0.0204  -0.0677 80  LYS B NZ  
1375 N N   . ASN B 67  ? 0.1416 0.3519 0.2015 -0.0142 -0.0328 -0.0374 81  ASN B N   
1376 C CA  . ASN B 67  ? 0.1623 0.3735 0.1927 -0.0071 -0.0592 -0.0330 81  ASN B CA  
1377 C C   . ASN B 67  ? 0.2008 0.4277 0.2152 -0.0189 -0.0692 -0.0707 81  ASN B C   
1378 O O   . ASN B 67  ? 0.2055 0.4510 0.2276 -0.0506 -0.0341 -0.0518 81  ASN B O   
1379 C CB  . ASN B 67  ? 0.2093 0.3665 0.2265 -0.0075 -0.0451 -0.0381 81  ASN B CB  
1380 C CG  . ASN B 67  ? 0.2464 0.3728 0.2398 0.0289  -0.0545 -0.0370 81  ASN B CG  
1381 O OD1 . ASN B 67  ? 0.2484 0.3625 0.2597 0.0874  -0.0319 -0.0213 81  ASN B OD1 
1382 N ND2 . ASN B 67  ? 0.2436 0.3686 0.2179 0.0032  -0.0636 -0.0265 81  ASN B ND2 
1383 N N   . ASN B 68  ? 0.2219 0.4578 0.2518 -0.0152 -0.0842 -0.0798 82  ASN B N   
1384 C CA  . ASN B 68  ? 0.2435 0.4676 0.2954 -0.0064 -0.1273 -0.0876 82  ASN B CA  
1385 C C   . ASN B 68  ? 0.2202 0.4999 0.3333 0.0147  -0.1177 -0.0787 82  ASN B C   
1386 O O   . ASN B 68  ? 0.2773 0.5079 0.4018 -0.0143 -0.0947 -0.0699 82  ASN B O   
1387 C CB  . ASN B 68  ? 0.3203 0.4808 0.3336 -0.0382 -0.1438 -0.1291 82  ASN B CB  
1388 C CG  . ASN B 68  ? 0.4774 0.5214 0.4121 -0.0352 -0.0516 -0.1189 82  ASN B CG  
1389 O OD1 . ASN B 68  ? 0.5367 0.5320 0.4566 -0.0241 -0.0388 -0.1056 82  ASN B OD1 
1390 N ND2 . ASN B 68  ? 0.5358 0.5314 0.4485 -0.0401 0.0176  -0.1214 82  ASN B ND2 
1391 N N   . TYR B 69  ? 0.2169 0.4924 0.3048 0.0791  -0.0710 -0.0803 83  TYR B N   
1392 C CA  . TYR B 69  ? 0.2703 0.5092 0.3037 0.0942  -0.0529 -0.0494 83  TYR B CA  
1393 C C   . TYR B 69  ? 0.2334 0.4785 0.2940 0.0888  -0.0454 -0.0734 83  TYR B C   
1394 O O   . TYR B 69  ? 0.2481 0.4814 0.3439 0.0783  -0.0572 -0.0676 83  TYR B O   
1395 C CB  . TYR B 69  ? 0.2948 0.5501 0.3009 0.1101  -0.0484 -0.0255 83  TYR B CB  
1396 C CG  . TYR B 69  ? 0.3239 0.5958 0.3044 0.0996  -0.0827 -0.0177 83  TYR B CG  
1397 C CD1 . TYR B 69  ? 0.3770 0.6186 0.3277 0.0837  -0.0680 -0.0260 83  TYR B CD1 
1398 C CD2 . TYR B 69  ? 0.3373 0.6188 0.3112 0.0780  -0.0542 -0.0301 83  TYR B CD2 
1399 C CE1 . TYR B 69  ? 0.3976 0.6335 0.3068 0.0733  -0.0317 -0.0301 83  TYR B CE1 
1400 C CE2 . TYR B 69  ? 0.3735 0.6356 0.3100 0.0678  -0.0547 -0.0347 83  TYR B CE2 
1401 C CZ  . TYR B 69  ? 0.4272 0.6436 0.3044 0.0502  -0.0188 -0.0397 83  TYR B CZ  
1402 O OH  . TYR B 69  ? 0.4899 0.6560 0.2806 0.0257  0.0272  -0.0446 83  TYR B OH  
1403 N N   . ARG B 70  ? 0.2116 0.4439 0.2764 0.0619  -0.0774 -0.0498 84  ARG B N   
1404 C CA  . ARG B 70  ? 0.2714 0.4140 0.2754 0.0519  -0.0233 -0.0197 84  ARG B CA  
1405 C C   . ARG B 70  ? 0.1745 0.3655 0.2059 0.0311  -0.0681 -0.0269 84  ARG B C   
1406 O O   . ARG B 70  ? 0.1763 0.3689 0.2182 0.0355  -0.0226 -0.0131 84  ARG B O   
1407 C CB  . ARG B 70  ? 0.4039 0.4344 0.3581 0.0550  -0.0097 0.0184  84  ARG B CB  
1408 C CG  . ARG B 70  ? 0.4779 0.4627 0.4295 0.0441  -0.0080 0.0388  84  ARG B CG  
1409 C CD  . ARG B 70  ? 0.5048 0.4878 0.5053 0.0262  -0.0150 0.0679  84  ARG B CD  
1410 N NE  . ARG B 70  ? 0.5377 0.5138 0.5620 0.0436  -0.0089 0.0886  84  ARG B NE  
1411 C CZ  . ARG B 70  ? 0.5666 0.5306 0.5991 0.0647  0.0018  0.1035  84  ARG B CZ  
1412 N NH1 . ARG B 70  ? 0.5867 0.5405 0.6201 0.0640  0.0072  0.1038  84  ARG B NH1 
1413 N NH2 . ARG B 70  ? 0.5579 0.5347 0.6066 0.0817  -0.0202 0.1134  84  ARG B NH2 
1414 N N   . ASN B 71  ? 0.1270 0.3196 0.1983 -0.0095 -0.0202 -0.0175 85  ASN B N   
1415 C CA  . ASN B 71  ? 0.1455 0.2652 0.1921 -0.0105 -0.0463 -0.0460 85  ASN B CA  
1416 C C   . ASN B 71  ? 0.1510 0.2655 0.2048 -0.0013 -0.0210 -0.0221 85  ASN B C   
1417 O O   . ASN B 71  ? 0.1427 0.2706 0.2484 0.0059  0.0028  -0.0402 85  ASN B O   
1418 C CB  . ASN B 71  ? 0.1284 0.2451 0.2244 -0.0127 -0.0025 -0.0407 85  ASN B CB  
1419 C CG  . ASN B 71  ? 0.1070 0.2208 0.1815 -0.0199 -0.0122 -0.0480 85  ASN B CG  
1420 O OD1 . ASN B 71  ? 0.1504 0.2475 0.2103 0.0010  -0.0125 -0.0367 85  ASN B OD1 
1421 N ND2 . ASN B 71  ? 0.1494 0.1930 0.2168 -0.0248 0.0025  -0.0419 85  ASN B ND2 
1422 N N   . ALA B 72  ? 0.1733 0.2327 0.1980 -0.0204 -0.0283 -0.0410 86  ALA B N   
1423 C CA  . ALA B 72  ? 0.2003 0.1995 0.1917 -0.0241 -0.0175 -0.0443 86  ALA B CA  
1424 C C   . ALA B 72  ? 0.1658 0.2202 0.2264 -0.0001 0.0060  -0.0382 86  ALA B C   
1425 O O   . ALA B 72  ? 0.2116 0.2216 0.2158 -0.0302 -0.0114 -0.0474 86  ALA B O   
1426 C CB  . ALA B 72  ? 0.2361 0.1905 0.1787 -0.0243 -0.0220 -0.0271 86  ALA B CB  
1427 N N   . HIS B 73  ? 0.1065 0.2488 0.2528 0.0210  0.0066  -0.0086 87  HIS B N   
1428 C CA  . HIS B 73  ? 0.0780 0.2517 0.2470 -0.0185 -0.0081 -0.0094 87  HIS B CA  
1429 C C   . HIS B 73  ? 0.1216 0.2543 0.2259 0.0086  -0.0111 -0.0369 87  HIS B C   
1430 O O   . HIS B 73  ? 0.1670 0.2633 0.2121 -0.0052 0.0102  -0.0516 87  HIS B O   
1431 C CB  . HIS B 73  ? 0.0977 0.2637 0.2387 -0.0437 -0.0022 -0.0140 87  HIS B CB  
1432 C CG  . HIS B 73  ? 0.1218 0.2782 0.2419 -0.0390 0.0111  -0.0539 87  HIS B CG  
1433 N ND1 . HIS B 73  ? 0.1182 0.2890 0.2394 -0.0356 -0.0178 -0.0678 87  HIS B ND1 
1434 C CD2 . HIS B 73  ? 0.1249 0.2911 0.2444 -0.0105 -0.0219 -0.0533 87  HIS B CD2 
1435 C CE1 . HIS B 73  ? 0.1436 0.2842 0.2275 -0.0153 0.0276  -0.0579 87  HIS B CE1 
1436 N NE2 . HIS B 73  ? 0.1361 0.2936 0.2603 -0.0075 0.0093  -0.0544 87  HIS B NE2 
1437 N N   . SER B 74  ? 0.1210 0.2414 0.2125 -0.0011 -0.0192 -0.0353 88  SER B N   
1438 C CA  . SER B 74  ? 0.1333 0.2213 0.2165 0.0097  0.0024  -0.0443 88  SER B CA  
1439 C C   . SER B 74  ? 0.1338 0.2207 0.1850 -0.0018 0.0174  -0.0333 88  SER B C   
1440 O O   . SER B 74  ? 0.1363 0.2190 0.1877 -0.0259 0.0027  -0.0575 88  SER B O   
1441 C CB  . SER B 74  ? 0.1989 0.2188 0.1833 0.0008  0.0157  -0.0271 88  SER B CB  
1442 O OG  . SER B 74  ? 0.1733 0.2571 0.1742 -0.0012 0.0261  -0.0083 88  SER B OG  
1443 N N   . ALA B 75  ? 0.1057 0.2122 0.1977 0.0003  0.0296  -0.0434 89  ALA B N   
1444 C CA  . ALA B 75  ? 0.1246 0.1926 0.2088 -0.0066 0.0312  -0.0416 89  ALA B CA  
1445 C C   . ALA B 75  ? 0.1118 0.1904 0.2039 -0.0094 0.0125  -0.0410 89  ALA B C   
1446 O O   . ALA B 75  ? 0.1635 0.1882 0.1807 -0.0052 0.0089  -0.0309 89  ALA B O   
1447 C CB  . ALA B 75  ? 0.1491 0.1999 0.2018 -0.0061 0.0325  -0.0423 89  ALA B CB  
1448 N N   . THR B 76  ? 0.0788 0.1807 0.1928 0.0137  0.0164  -0.0279 90  THR B N   
1449 C CA  . THR B 76  ? 0.1027 0.1858 0.1876 0.0393  0.0062  -0.0180 90  THR B CA  
1450 C C   . THR B 76  ? 0.1299 0.1857 0.1638 0.0290  0.0016  -0.0147 90  THR B C   
1451 O O   . THR B 76  ? 0.1195 0.2136 0.1454 0.0080  0.0021  -0.0456 90  THR B O   
1452 C CB  . THR B 76  ? 0.1159 0.1927 0.2083 0.0014  0.0014  -0.0202 90  THR B CB  
1453 O OG1 . THR B 76  ? 0.1142 0.2284 0.1993 0.0155  -0.0088 -0.0263 90  THR B OG1 
1454 C CG2 . THR B 76  ? 0.1263 0.1735 0.2396 0.0420  0.0137  -0.0035 90  THR B CG2 
1455 N N   . THR B 77  ? 0.1238 0.1636 0.1643 -0.0091 0.0162  0.0023  91  THR B N   
1456 C CA  . THR B 77  ? 0.1122 0.1753 0.1696 -0.0088 0.0066  0.0041  91  THR B CA  
1457 C C   . THR B 77  ? 0.1617 0.1548 0.1269 -0.0208 0.0129  -0.0235 91  THR B C   
1458 O O   . THR B 77  ? 0.2094 0.1550 0.1886 0.0030  0.0297  -0.0637 91  THR B O   
1459 C CB  . THR B 77  ? 0.1469 0.1781 0.1419 -0.0024 -0.0128 -0.0005 91  THR B CB  
1460 O OG1 . THR B 77  ? 0.1911 0.2193 0.1306 0.0116  0.0046  -0.0114 91  THR B OG1 
1461 C CG2 . THR B 77  ? 0.1872 0.1695 0.1690 -0.0084 -0.0294 0.0093  91  THR B CG2 
1462 N N   . TRP B 78  ? 0.1574 0.1581 0.1365 -0.0238 0.0147  -0.0048 92  TRP B N   
1463 C CA  . TRP B 78  ? 0.1546 0.1607 0.1541 -0.0170 -0.0207 -0.0079 92  TRP B CA  
1464 C C   . TRP B 78  ? 0.1528 0.1627 0.1585 0.0024  -0.0267 -0.0013 92  TRP B C   
1465 O O   . TRP B 78  ? 0.1579 0.1500 0.1556 0.0030  0.0024  -0.0189 92  TRP B O   
1466 C CB  . TRP B 78  ? 0.1587 0.1754 0.1385 -0.0165 -0.0242 -0.0014 92  TRP B CB  
1467 C CG  . TRP B 78  ? 0.1510 0.1486 0.1379 0.0111  -0.0087 -0.0020 92  TRP B CG  
1468 C CD1 . TRP B 78  ? 0.1834 0.1663 0.1459 0.0585  0.0301  -0.0122 92  TRP B CD1 
1469 C CD2 . TRP B 78  ? 0.1346 0.1483 0.1453 -0.0010 -0.0453 -0.0029 92  TRP B CD2 
1470 N NE1 . TRP B 78  ? 0.1356 0.1782 0.1524 0.0302  -0.0027 -0.0242 92  TRP B NE1 
1471 C CE2 . TRP B 78  ? 0.1422 0.1605 0.1604 0.0114  0.0030  -0.0205 92  TRP B CE2 
1472 C CE3 . TRP B 78  ? 0.1347 0.1563 0.1364 -0.0144 -0.0214 -0.0290 92  TRP B CE3 
1473 C CZ2 . TRP B 78  ? 0.1399 0.1430 0.1329 -0.0058 -0.0052 -0.0243 92  TRP B CZ2 
1474 C CZ3 . TRP B 78  ? 0.1314 0.1537 0.1734 -0.0059 0.0083  -0.0241 92  TRP B CZ3 
1475 C CH2 . TRP B 78  ? 0.1734 0.1469 0.1342 -0.0098 0.0047  -0.0348 92  TRP B CH2 
1476 N N   . SER B 79  ? 0.1298 0.1624 0.1246 -0.0141 0.0027  0.0138  93  SER B N   
1477 C CA  . SER B 79  ? 0.1370 0.1791 0.1192 -0.0055 -0.0209 0.0250  93  SER B CA  
1478 C C   . SER B 79  ? 0.1255 0.1855 0.1441 -0.0005 0.0104  0.0152  93  SER B C   
1479 O O   . SER B 79  ? 0.1403 0.1570 0.1634 0.0115  0.0079  -0.0007 93  SER B O   
1480 C CB  . SER B 79  ? 0.1398 0.2262 0.1389 0.0073  -0.0198 0.0200  93  SER B CB  
1481 O OG  . SER B 79  ? 0.1437 0.2466 0.1435 0.0141  -0.0188 0.0306  93  SER B OG  
1482 N N   . GLY B 80  ? 0.1001 0.1816 0.1558 -0.0130 0.0058  0.0141  94  GLY B N   
1483 C CA  . GLY B 80  ? 0.0964 0.1777 0.1382 -0.0110 0.0345  0.0041  94  GLY B CA  
1484 C C   . GLY B 80  ? 0.1140 0.1703 0.1307 0.0047  0.0009  0.0102  94  GLY B C   
1485 O O   . GLY B 80  ? 0.1573 0.1582 0.1486 0.0311  0.0089  -0.0225 94  GLY B O   
1486 N N   . GLN B 81  ? 0.1325 0.1618 0.1632 -0.0080 0.0157  0.0092  95  GLN B N   
1487 C CA  . GLN B 81  ? 0.1238 0.1923 0.1773 -0.0307 0.0349  0.0039  95  GLN B CA  
1488 C C   . GLN B 81  ? 0.1569 0.1909 0.1733 -0.0152 0.0524  -0.0053 95  GLN B C   
1489 O O   . GLN B 81  ? 0.1497 0.2107 0.1872 0.0250  0.0178  -0.0081 95  GLN B O   
1490 C CB  . GLN B 81  ? 0.1599 0.2321 0.2503 -0.0043 0.0294  -0.0272 95  GLN B CB  
1491 C CG  . GLN B 81  ? 0.1547 0.2479 0.2656 -0.0183 0.0367  -0.0310 95  GLN B CG  
1492 C CD  . GLN B 81  ? 0.1254 0.2542 0.2288 0.0119  0.0074  -0.0335 95  GLN B CD  
1493 O OE1 . GLN B 81  ? 0.1590 0.2382 0.2155 -0.0142 0.0008  -0.0213 95  GLN B OE1 
1494 N NE2 . GLN B 81  ? 0.1756 0.2846 0.2437 0.0218  0.0186  -0.0150 95  GLN B NE2 
1495 N N   . TYR B 82  ? 0.1542 0.1883 0.1648 -0.0264 0.0454  -0.0075 96  TYR B N   
1496 C CA  . TYR B 82  ? 0.1683 0.2051 0.1525 -0.0329 0.0491  0.0002  96  TYR B CA  
1497 C C   . TYR B 82  ? 0.1654 0.2257 0.1910 0.0024  0.0126  0.0487  96  TYR B C   
1498 O O   . TYR B 82  ? 0.1740 0.2434 0.2089 0.0151  0.0019  0.0741  96  TYR B O   
1499 C CB  . TYR B 82  ? 0.1994 0.2162 0.1616 -0.0176 0.0491  -0.0046 96  TYR B CB  
1500 C CG  . TYR B 82  ? 0.1866 0.2435 0.1659 -0.0105 0.0551  -0.0063 96  TYR B CG  
1501 C CD1 . TYR B 82  ? 0.1633 0.2491 0.1452 -0.0135 0.0082  0.0213  96  TYR B CD1 
1502 C CD2 . TYR B 82  ? 0.1930 0.2696 0.2105 -0.0278 0.0501  -0.0111 96  TYR B CD2 
1503 C CE1 . TYR B 82  ? 0.1662 0.2752 0.1763 -0.0303 0.0371  0.0264  96  TYR B CE1 
1504 C CE2 . TYR B 82  ? 0.1952 0.2941 0.2024 -0.0333 0.0371  0.0008  96  TYR B CE2 
1505 C CZ  . TYR B 82  ? 0.1875 0.2882 0.1918 -0.0544 0.0656  0.0290  96  TYR B CZ  
1506 O OH  . TYR B 82  ? 0.2582 0.3341 0.2301 -0.0701 0.0738  0.0013  96  TYR B OH  
1507 N N   . VAL B 83  ? 0.1595 0.2541 0.1921 -0.0232 0.0243  0.0364  97  VAL B N   
1508 C CA  . VAL B 83  ? 0.2005 0.2847 0.2272 -0.0289 0.0124  0.0437  97  VAL B CA  
1509 C C   . VAL B 83  ? 0.2041 0.3229 0.3027 -0.0301 0.0856  0.0863  97  VAL B C   
1510 O O   . VAL B 83  ? 0.2296 0.3303 0.3067 0.0434  0.0739  0.1055  97  VAL B O   
1511 C CB  . VAL B 83  ? 0.2240 0.2817 0.2649 -0.0492 -0.0079 0.0281  97  VAL B CB  
1512 C CG1 . VAL B 83  ? 0.3064 0.3142 0.3201 -0.0428 -0.0249 0.0237  97  VAL B CG1 
1513 C CG2 . VAL B 83  ? 0.2710 0.2868 0.2619 -0.0288 -0.0554 0.0023  97  VAL B CG2 
1514 N N   . GLY B 84  ? 0.2272 0.3521 0.3286 -0.0090 0.0858  0.0933  98  GLY B N   
1515 C CA  . GLY B 84  ? 0.2849 0.4066 0.3570 -0.0117 0.0992  0.1075  98  GLY B CA  
1516 C C   . GLY B 84  ? 0.3542 0.4571 0.4078 -0.0386 0.1328  0.1086  98  GLY B C   
1517 O O   . GLY B 84  ? 0.3851 0.4727 0.4602 -0.0586 0.1374  0.1016  98  GLY B O   
1518 N N   . GLY B 85  ? 0.4212 0.4767 0.4421 -0.0336 0.1363  0.1387  99  GLY B N   
1519 C CA  . GLY B 85  ? 0.4244 0.4887 0.4495 -0.0510 0.1331  0.1666  99  GLY B CA  
1520 C C   . GLY B 85  ? 0.4480 0.4897 0.4185 -0.0567 0.1506  0.1977  99  GLY B C   
1521 O O   . GLY B 85  ? 0.4895 0.4993 0.4025 -0.0446 0.1487  0.2064  99  GLY B O   
1522 N N   . ALA B 86  ? 0.4599 0.4938 0.4555 -0.0601 0.1645  0.1825  100 ALA B N   
1523 C CA  . ALA B 86  ? 0.4551 0.4825 0.4698 -0.0741 0.1613  0.1741  100 ALA B CA  
1524 C C   . ALA B 86  ? 0.4903 0.4657 0.4891 -0.0672 0.1750  0.1629  100 ALA B C   
1525 O O   . ALA B 86  ? 0.5281 0.4876 0.5399 -0.0454 0.2213  0.1578  100 ALA B O   
1526 C CB  . ALA B 86  ? 0.4131 0.4853 0.4634 -0.1035 0.1316  0.1775  100 ALA B CB  
1527 N N   . GLU B 87  ? 0.4872 0.4137 0.4524 -0.1024 0.1679  0.1493  101 GLU B N   
1528 C CA  . GLU B 87  ? 0.5008 0.3858 0.4687 -0.1076 0.1551  0.1039  101 GLU B CA  
1529 C C   . GLU B 87  ? 0.3974 0.3337 0.4229 -0.1028 0.0998  0.0529  101 GLU B C   
1530 O O   . GLU B 87  ? 0.4406 0.3025 0.4401 -0.1261 0.0679  -0.0045 101 GLU B O   
1531 C CB  . GLU B 87  ? 0.6272 0.4169 0.5485 -0.1045 0.1804  0.1135  101 GLU B CB  
1532 C CG  . GLU B 87  ? 0.7388 0.4566 0.6176 -0.0746 0.1904  0.1091  101 GLU B CG  
1533 C CD  . GLU B 87  ? 0.8293 0.4920 0.6706 -0.0537 0.1681  0.1090  101 GLU B CD  
1534 O OE1 . GLU B 87  ? 0.8875 0.5088 0.6788 -0.0395 0.1539  0.0933  101 GLU B OE1 
1535 O OE2 . GLU B 87  ? 0.8400 0.5065 0.7042 -0.0418 0.1497  0.1116  101 GLU B OE2 
1536 N N   . ALA B 88  ? 0.2713 0.3048 0.3421 -0.0494 0.1066  0.0430  102 ALA B N   
1537 C CA  . ALA B 88  ? 0.2273 0.2801 0.2741 -0.0348 0.0814  0.0420  102 ALA B CA  
1538 C C   . ALA B 88  ? 0.2318 0.2611 0.2375 -0.0147 0.0743  0.0465  102 ALA B C   
1539 O O   . ALA B 88  ? 0.2470 0.2689 0.2522 -0.0187 0.0200  0.0778  102 ALA B O   
1540 C CB  . ALA B 88  ? 0.2489 0.2942 0.2453 -0.0088 0.0695  0.0358  102 ALA B CB  
1541 N N   . ARG B 89  ? 0.2031 0.2397 0.1786 -0.0454 0.0406  0.0444  103 ARG B N   
1542 C CA  . ARG B 89  ? 0.2237 0.2155 0.1948 -0.0614 0.0684  0.0062  103 ARG B CA  
1543 C C   . ARG B 89  ? 0.1607 0.1926 0.1723 -0.0188 0.0376  0.0113  103 ARG B C   
1544 O O   . ARG B 89  ? 0.1931 0.1866 0.1977 0.0453  0.0541  0.0431  103 ARG B O   
1545 C CB  . ARG B 89  ? 0.3026 0.2328 0.2319 -0.0833 0.0207  0.0118  103 ARG B CB  
1546 C CG  . ARG B 89  ? 0.3425 0.2733 0.3545 -0.0383 0.0205  0.0423  103 ARG B CG  
1547 C CD  . ARG B 89  ? 0.3688 0.2990 0.4346 -0.0349 0.0136  0.0686  103 ARG B CD  
1548 N NE  . ARG B 89  ? 0.3976 0.3185 0.4827 -0.0416 0.0003  0.0678  103 ARG B NE  
1549 C CZ  . ARG B 89  ? 0.4040 0.3285 0.4909 -0.0455 0.0075  0.0847  103 ARG B CZ  
1550 N NH1 . ARG B 89  ? 0.3453 0.3333 0.4765 -0.0580 0.0315  0.1149  103 ARG B NH1 
1551 N NH2 . ARG B 89  ? 0.4808 0.3405 0.5230 -0.0128 0.0022  0.0699  103 ARG B NH2 
1552 N N   . ILE B 90  ? 0.1686 0.2111 0.1379 -0.0237 0.0131  0.0002  104 ILE B N   
1553 C CA  . ILE B 90  ? 0.2027 0.1950 0.1063 -0.0403 0.0375  0.0087  104 ILE B CA  
1554 C C   . ILE B 90  ? 0.1911 0.2018 0.1282 -0.0475 0.0278  0.0087  104 ILE B C   
1555 O O   . ILE B 90  ? 0.1689 0.2306 0.1722 0.0085  0.0097  0.0155  104 ILE B O   
1556 C CB  . ILE B 90  ? 0.2113 0.2052 0.1490 -0.0179 0.0251  0.0070  104 ILE B CB  
1557 C CG1 . ILE B 90  ? 0.1940 0.1947 0.1763 -0.0143 -0.0093 -0.0023 104 ILE B CG1 
1558 C CG2 . ILE B 90  ? 0.2103 0.2183 0.1824 -0.0215 0.0551  -0.0106 104 ILE B CG2 
1559 C CD1 . ILE B 90  ? 0.2505 0.1830 0.2172 0.0047  0.0080  0.0052  104 ILE B CD1 
1560 N N   . ASN B 91  ? 0.2159 0.2160 0.1089 -0.0309 0.0086  0.0150  105 ASN B N   
1561 C CA  . ASN B 91  ? 0.1728 0.2099 0.1368 -0.0270 0.0019  0.0047  105 ASN B CA  
1562 C C   . ASN B 91  ? 0.1628 0.1701 0.1469 -0.0011 -0.0064 0.0193  105 ASN B C   
1563 O O   . ASN B 91  ? 0.1730 0.1537 0.1958 0.0193  0.0332  0.0462  105 ASN B O   
1564 C CB  . ASN B 91  ? 0.2029 0.2242 0.1759 -0.0656 -0.0149 0.0382  105 ASN B CB  
1565 C CG  . ASN B 91  ? 0.2416 0.2716 0.2387 -0.0634 -0.0108 0.0461  105 ASN B CG  
1566 O OD1 . ASN B 91  ? 0.2667 0.2795 0.2555 -0.0622 -0.0028 0.0760  105 ASN B OD1 
1567 N ND2 . ASN B 91  ? 0.2222 0.2964 0.2638 -0.0502 -0.0169 0.0403  105 ASN B ND2 
1568 N N   . THR B 92  ? 0.1355 0.1603 0.1368 0.0104  0.0083  0.0097  106 THR B N   
1569 C CA  . THR B 92  ? 0.1543 0.1551 0.1339 -0.0007 0.0166  0.0132  106 THR B CA  
1570 C C   . THR B 92  ? 0.1593 0.1795 0.1260 0.0162  0.0089  0.0410  106 THR B C   
1571 O O   . THR B 92  ? 0.1892 0.1718 0.1541 -0.0041 0.0042  0.0085  106 THR B O   
1572 C CB  . THR B 92  ? 0.1781 0.1379 0.1487 0.0273  -0.0297 0.0012  106 THR B CB  
1573 O OG1 . THR B 92  ? 0.1827 0.1556 0.1714 0.0273  -0.0101 0.0223  106 THR B OG1 
1574 C CG2 . THR B 92  ? 0.1694 0.1550 0.1604 0.0087  -0.0057 -0.0496 106 THR B CG2 
1575 N N   . GLN B 93  ? 0.1392 0.2076 0.1177 -0.0061 0.0224  0.0244  107 GLN B N   
1576 C CA  . GLN B 93  ? 0.1239 0.1975 0.1194 -0.0147 0.0055  0.0199  107 GLN B CA  
1577 C C   . GLN B 93  ? 0.1399 0.1844 0.1340 -0.0014 0.0090  -0.0007 107 GLN B C   
1578 O O   . GLN B 93  ? 0.1629 0.1690 0.1629 0.0178  -0.0046 -0.0235 107 GLN B O   
1579 C CB  . GLN B 93  ? 0.1538 0.2298 0.1618 -0.0530 -0.0170 -0.0261 107 GLN B CB  
1580 C CG  . GLN B 93  ? 0.1795 0.2391 0.1863 -0.0499 -0.0185 -0.0462 107 GLN B CG  
1581 C CD  . GLN B 93  ? 0.1724 0.2421 0.2031 -0.0010 -0.0391 -0.0237 107 GLN B CD  
1582 O OE1 . GLN B 93  ? 0.2255 0.2770 0.2332 0.0276  -0.0213 -0.0178 107 GLN B OE1 
1583 N NE2 . GLN B 93  ? 0.2154 0.2337 0.2189 0.0134  -0.0122 0.0137  107 GLN B NE2 
1584 N N   . TRP B 94  ? 0.1094 0.1867 0.1408 -0.0086 -0.0014 -0.0091 108 TRP B N   
1585 C CA  . TRP B 94  ? 0.1477 0.1452 0.1263 0.0141  -0.0128 -0.0232 108 TRP B CA  
1586 C C   . TRP B 94  ? 0.1483 0.1394 0.1361 0.0240  0.0360  -0.0265 108 TRP B C   
1587 O O   . TRP B 94  ? 0.1580 0.1648 0.1479 0.0202  0.0024  -0.0103 108 TRP B O   
1588 C CB  . TRP B 94  ? 0.1658 0.1678 0.1443 0.0154  -0.0249 -0.0181 108 TRP B CB  
1589 C CG  . TRP B 94  ? 0.1372 0.1720 0.1598 0.0270  -0.0211 -0.0022 108 TRP B CG  
1590 C CD1 . TRP B 94  ? 0.1810 0.1671 0.1628 0.0253  -0.0005 -0.0153 108 TRP B CD1 
1591 C CD2 . TRP B 94  ? 0.1561 0.1690 0.1692 0.0249  0.0045  -0.0037 108 TRP B CD2 
1592 N NE1 . TRP B 94  ? 0.1746 0.1604 0.1677 0.0432  0.0256  -0.0139 108 TRP B NE1 
1593 C CE2 . TRP B 94  ? 0.1495 0.1637 0.1739 0.0350  0.0047  -0.0152 108 TRP B CE2 
1594 C CE3 . TRP B 94  ? 0.1407 0.1782 0.1793 0.0386  -0.0308 -0.0559 108 TRP B CE3 
1595 C CZ2 . TRP B 94  ? 0.1438 0.1658 0.1921 -0.0003 0.0035  -0.0202 108 TRP B CZ2 
1596 C CZ3 . TRP B 94  ? 0.1318 0.1600 0.1837 0.0255  -0.0215 -0.0427 108 TRP B CZ3 
1597 C CH2 . TRP B 94  ? 0.1769 0.1417 0.1727 -0.0078 -0.0072 -0.0432 108 TRP B CH2 
1598 N N   . LEU B 95  ? 0.1604 0.1700 0.1588 0.0211  0.0432  0.0015  109 LEU B N   
1599 C CA  . LEU B 95  ? 0.1325 0.1746 0.1520 0.0198  0.0132  0.0049  109 LEU B CA  
1600 C C   . LEU B 95  ? 0.1503 0.1753 0.1610 0.0046  0.0149  -0.0108 109 LEU B C   
1601 O O   . LEU B 95  ? 0.1842 0.2096 0.1710 0.0589  0.0301  -0.0624 109 LEU B O   
1602 C CB  . LEU B 95  ? 0.1578 0.1771 0.1635 0.0161  -0.0119 0.0161  109 LEU B CB  
1603 C CG  . LEU B 95  ? 0.1823 0.1760 0.1717 0.0033  0.0017  0.0153  109 LEU B CG  
1604 C CD1 . LEU B 95  ? 0.1817 0.1684 0.1993 -0.0250 -0.0115 0.0705  109 LEU B CD1 
1605 C CD2 . LEU B 95  ? 0.2194 0.1887 0.1620 -0.0265 -0.0005 -0.0182 109 LEU B CD2 
1606 N N   . LEU B 96  ? 0.1249 0.1841 0.1536 0.0022  -0.0224 0.0067  110 LEU B N   
1607 C CA  . LEU B 96  ? 0.1233 0.1846 0.1514 -0.0034 -0.0250 -0.0034 110 LEU B CA  
1608 C C   . LEU B 96  ? 0.1245 0.1833 0.1604 -0.0019 0.0096  -0.0176 110 LEU B C   
1609 O O   . LEU B 96  ? 0.1719 0.1912 0.1707 -0.0156 0.0232  -0.0384 110 LEU B O   
1610 C CB  . LEU B 96  ? 0.1382 0.2110 0.1504 0.0314  -0.0404 0.0026  110 LEU B CB  
1611 C CG  . LEU B 96  ? 0.1688 0.2278 0.1822 0.0613  -0.0228 -0.0023 110 LEU B CG  
1612 C CD1 . LEU B 96  ? 0.1685 0.2518 0.1694 0.0182  -0.0255 -0.0266 110 LEU B CD1 
1613 C CD2 . LEU B 96  ? 0.2114 0.2587 0.1595 0.0403  -0.0441 0.0370  110 LEU B CD2 
1614 N N   . THR B 97  ? 0.1314 0.1923 0.1656 -0.0386 0.0015  -0.0198 111 THR B N   
1615 C CA  . THR B 97  ? 0.1232 0.2117 0.1724 -0.0325 0.0174  -0.0055 111 THR B CA  
1616 C C   . THR B 97  ? 0.1321 0.2524 0.2154 -0.0308 0.0023  -0.0391 111 THR B C   
1617 O O   . THR B 97  ? 0.1511 0.2525 0.2083 -0.0211 0.0325  -0.0643 111 THR B O   
1618 C CB  . THR B 97  ? 0.1474 0.1986 0.1853 -0.0312 0.0293  0.0069  111 THR B CB  
1619 O OG1 . THR B 97  ? 0.1707 0.1959 0.2136 -0.0176 -0.0137 -0.0234 111 THR B OG1 
1620 C CG2 . THR B 97  ? 0.2190 0.2066 0.1986 -0.0306 0.0570  -0.0094 111 THR B CG2 
1621 N N   . SER B 98  ? 0.1205 0.2709 0.1994 0.0000  0.0017  -0.0259 112 SER B N   
1622 C CA  . SER B 98  ? 0.1093 0.2836 0.2238 0.0096  0.0493  -0.0402 112 SER B CA  
1623 C C   . SER B 98  ? 0.1513 0.3035 0.2080 -0.0450 0.0417  -0.0503 112 SER B C   
1624 O O   . SER B 98  ? 0.1598 0.3163 0.1993 -0.0479 -0.0010 -0.0486 112 SER B O   
1625 C CB  . SER B 98  ? 0.1214 0.2681 0.2531 0.0313  0.0163  -0.0417 112 SER B CB  
1626 O OG  . SER B 98  ? 0.1723 0.2681 0.2452 0.0386  -0.0266 -0.0325 112 SER B OG  
1627 N N   . GLY B 99  ? 0.1414 0.3250 0.1957 -0.0521 0.0479  -0.0397 113 GLY B N   
1628 C CA  . GLY B 99  ? 0.1674 0.3472 0.1895 -0.0460 0.0532  -0.0588 113 GLY B CA  
1629 C C   . GLY B 99  ? 0.1807 0.3499 0.2174 -0.0278 0.0486  -0.0557 113 GLY B C   
1630 O O   . GLY B 99  ? 0.1975 0.3549 0.2449 0.0151  0.0456  -0.0649 113 GLY B O   
1631 N N   . THR B 100 ? 0.2105 0.3354 0.2405 -0.0563 0.0681  -0.0503 114 THR B N   
1632 C CA  . THR B 100 ? 0.1742 0.3181 0.2591 -0.0822 0.0646  -0.0601 114 THR B CA  
1633 C C   . THR B 100 ? 0.1688 0.3384 0.2403 -0.0474 0.0854  -0.0614 114 THR B C   
1634 O O   . THR B 100 ? 0.2196 0.3489 0.2674 -0.0482 0.0741  -0.0787 114 THR B O   
1635 C CB  . THR B 100 ? 0.1798 0.3039 0.2726 -0.0578 0.0247  -0.0568 114 THR B CB  
1636 O OG1 . THR B 100 ? 0.2003 0.3013 0.2810 -0.0343 0.0403  -0.0554 114 THR B OG1 
1637 C CG2 . THR B 100 ? 0.1921 0.3059 0.3121 -0.0424 0.0547  -0.0427 114 THR B CG2 
1638 N N   . THR B 101 ? 0.1939 0.3598 0.2613 -0.0519 0.0822  -0.0449 115 THR B N   
1639 C CA  . THR B 101 ? 0.1823 0.3747 0.2704 -0.0362 0.0820  -0.0420 115 THR B CA  
1640 C C   . THR B 101 ? 0.2112 0.3763 0.2437 -0.0369 0.0491  -0.0347 115 THR B C   
1641 O O   . THR B 101 ? 0.2051 0.3539 0.2454 -0.0112 0.0782  -0.0349 115 THR B O   
1642 C CB  . THR B 101 ? 0.1909 0.3816 0.2957 -0.0386 0.0360  -0.0618 115 THR B CB  
1643 O OG1 . THR B 101 ? 0.2310 0.3601 0.2891 -0.0033 0.0585  -0.0692 115 THR B OG1 
1644 C CG2 . THR B 101 ? 0.1957 0.4127 0.2970 -0.0436 0.0090  -0.0472 115 THR B CG2 
1645 N N   . GLU B 102 ? 0.2525 0.4059 0.2450 -0.0294 0.0565  -0.0296 116 GLU B N   
1646 C CA  . GLU B 102 ? 0.2534 0.4064 0.2569 -0.0285 0.0528  -0.0293 116 GLU B CA  
1647 C C   . GLU B 102 ? 0.2563 0.3847 0.2427 -0.0277 0.0705  -0.0359 116 GLU B C   
1648 O O   . GLU B 102 ? 0.2587 0.3748 0.2339 -0.0017 0.0470  -0.0317 116 GLU B O   
1649 C CB  . GLU B 102 ? 0.2641 0.4382 0.3327 -0.0556 0.0611  -0.0239 116 GLU B CB  
1650 C CG  . GLU B 102 ? 0.3676 0.4811 0.4270 -0.0451 0.0745  -0.0136 116 GLU B CG  
1651 C CD  . GLU B 102 ? 0.4752 0.5171 0.5026 -0.0260 0.0155  -0.0084 116 GLU B CD  
1652 O OE1 . GLU B 102 ? 0.5308 0.5380 0.5331 -0.0150 0.0098  0.0062  116 GLU B OE1 
1653 O OE2 . GLU B 102 ? 0.5188 0.5297 0.5231 -0.0263 -0.0088 -0.0052 116 GLU B OE2 
1654 N N   . ALA B 103 ? 0.2558 0.3687 0.2685 -0.0429 0.0828  -0.0401 117 ALA B N   
1655 C CA  . ALA B 103 ? 0.2454 0.3750 0.2992 -0.0485 0.0997  -0.0538 117 ALA B CA  
1656 C C   . ALA B 103 ? 0.2384 0.3689 0.2693 -0.0479 0.0781  -0.0620 117 ALA B C   
1657 O O   . ALA B 103 ? 0.2870 0.3655 0.2678 -0.0414 0.0798  -0.0755 117 ALA B O   
1658 C CB  . ALA B 103 ? 0.2331 0.3842 0.3355 -0.0259 0.0701  -0.0619 117 ALA B CB  
1659 N N   . ASN B 104 ? 0.1974 0.3512 0.2817 -0.0110 0.0729  -0.0517 118 ASN B N   
1660 C CA  . ASN B 104 ? 0.1655 0.3344 0.2752 0.0119  0.0428  -0.0569 118 ASN B CA  
1661 C C   . ASN B 104 ? 0.2004 0.3168 0.2564 0.0236  0.0454  -0.0688 118 ASN B C   
1662 O O   . ASN B 104 ? 0.2010 0.3227 0.2830 -0.0026 0.0310  -0.0751 118 ASN B O   
1663 C CB  . ASN B 104 ? 0.1626 0.3468 0.3172 0.0577  0.0148  -0.0627 118 ASN B CB  
1664 C CG  . ASN B 104 ? 0.2314 0.3688 0.3514 0.0654  -0.0105 -0.1089 118 ASN B CG  
1665 O OD1 . ASN B 104 ? 0.2998 0.3658 0.3769 0.0990  0.0498  -0.1318 118 ASN B OD1 
1666 N ND2 . ASN B 104 ? 0.2990 0.3932 0.3946 0.0376  -0.0229 -0.1074 118 ASN B ND2 
1667 N N   . ALA B 105 ? 0.2155 0.3055 0.2332 0.0322  0.0574  -0.0223 119 ALA B N   
1668 C CA  . ALA B 105 ? 0.1922 0.3141 0.2334 -0.0059 0.0644  -0.0257 119 ALA B CA  
1669 C C   . ALA B 105 ? 0.1904 0.2900 0.2058 -0.0276 0.0340  -0.0503 119 ALA B C   
1670 O O   . ALA B 105 ? 0.1815 0.2771 0.2337 -0.0176 0.0294  -0.0653 119 ALA B O   
1671 C CB  . ALA B 105 ? 0.2225 0.3263 0.2473 -0.0105 0.0643  -0.0230 119 ALA B CB  
1672 N N   . TRP B 106 ? 0.2306 0.3100 0.1884 -0.0546 0.0482  -0.0688 120 TRP B N   
1673 C CA  . TRP B 106 ? 0.2430 0.3251 0.1923 -0.0662 0.0462  -0.0751 120 TRP B CA  
1674 C C   . TRP B 106 ? 0.2780 0.3281 0.2253 -0.0389 0.0447  -0.0815 120 TRP B C   
1675 O O   . TRP B 106 ? 0.2443 0.3392 0.2295 -0.0552 0.0563  -0.0771 120 TRP B O   
1676 C CB  . TRP B 106 ? 0.2648 0.3387 0.2309 -0.0585 0.0536  -0.0866 120 TRP B CB  
1677 C CG  . TRP B 106 ? 0.2876 0.3457 0.2506 -0.0634 0.0927  -0.0866 120 TRP B CG  
1678 C CD1 . TRP B 106 ? 0.3145 0.3541 0.2801 -0.0666 0.0953  -0.0838 120 TRP B CD1 
1679 C CD2 . TRP B 106 ? 0.3021 0.3449 0.2751 -0.0821 0.0924  -0.0741 120 TRP B CD2 
1680 N NE1 . TRP B 106 ? 0.2928 0.3583 0.2947 -0.0893 0.1004  -0.0948 120 TRP B NE1 
1681 C CE2 . TRP B 106 ? 0.3341 0.3545 0.3272 -0.0870 0.1001  -0.0723 120 TRP B CE2 
1682 C CE3 . TRP B 106 ? 0.3076 0.3422 0.2565 -0.0715 0.0959  -0.0549 120 TRP B CE3 
1683 C CZ2 . TRP B 106 ? 0.3881 0.3675 0.3580 -0.0576 0.1263  -0.0569 120 TRP B CZ2 
1684 C CZ3 . TRP B 106 ? 0.3604 0.3565 0.2967 -0.0592 0.1085  -0.0355 120 TRP B CZ3 
1685 C CH2 . TRP B 106 ? 0.3863 0.3590 0.3459 -0.0431 0.1398  -0.0584 120 TRP B CH2 
1686 N N   . LYS B 107 ? 0.2496 0.3135 0.2062 -0.0243 0.0454  -0.0918 121 LYS B N   
1687 C CA  . LYS B 107 ? 0.2466 0.3157 0.2446 -0.0140 0.0627  -0.0750 121 LYS B CA  
1688 C C   . LYS B 107 ? 0.1743 0.3022 0.2188 -0.0070 0.0434  -0.0499 121 LYS B C   
1689 O O   . LYS B 107 ? 0.1767 0.3100 0.2617 0.0029  0.0289  -0.0274 121 LYS B O   
1690 C CB  . LYS B 107 ? 0.2649 0.3360 0.3341 0.0198  0.0860  -0.0364 121 LYS B CB  
1691 C CG  . LYS B 107 ? 0.2504 0.3511 0.4013 0.0614  0.1056  -0.0283 121 LYS B CG  
1692 C CD  . LYS B 107 ? 0.2620 0.3685 0.4615 0.0784  0.1115  -0.0233 121 LYS B CD  
1693 C CE  . LYS B 107 ? 0.3066 0.3776 0.5089 0.1175  0.1529  -0.0240 121 LYS B CE  
1694 N NZ  . LYS B 107 ? 0.3764 0.3738 0.5548 0.1136  0.1641  -0.0124 121 LYS B NZ  
1695 N N   . SER B 108 ? 0.1941 0.2619 0.1755 -0.0191 0.0454  -0.0616 122 SER B N   
1696 C CA  . SER B 108 ? 0.1531 0.2467 0.1876 -0.0243 0.0142  -0.0449 122 SER B CA  
1697 C C   . SER B 108 ? 0.1214 0.2431 0.1761 -0.0142 0.0216  -0.0342 122 SER B C   
1698 O O   . SER B 108 ? 0.1525 0.2683 0.1714 0.0278  0.0167  -0.0495 122 SER B O   
1699 C CB  . SER B 108 ? 0.1522 0.2443 0.1991 -0.0465 -0.0078 -0.0466 122 SER B CB  
1700 O OG  . SER B 108 ? 0.2474 0.2584 0.2400 -0.0292 0.0252  -0.0412 122 SER B OG  
1701 N N   . THR B 109 ? 0.1088 0.2137 0.1973 -0.0008 0.0179  -0.0170 123 THR B N   
1702 C CA  . THR B 109 ? 0.1274 0.1733 0.1769 -0.0133 0.0139  0.0056  123 THR B CA  
1703 C C   . THR B 109 ? 0.1364 0.1453 0.1397 0.0079  0.0142  -0.0195 123 THR B C   
1704 O O   . THR B 109 ? 0.1931 0.1333 0.1705 0.0093  -0.0285 -0.0378 123 THR B O   
1705 C CB  . THR B 109 ? 0.1438 0.1769 0.1898 -0.0135 0.0071  0.0008  123 THR B CB  
1706 O OG1 . THR B 109 ? 0.1849 0.2020 0.2342 -0.0289 -0.0030 0.0199  123 THR B OG1 
1707 C CG2 . THR B 109 ? 0.1395 0.1499 0.2011 0.0586  0.0031  0.0216  123 THR B CG2 
1708 N N   . LEU B 110 ? 0.1433 0.1544 0.1544 0.0345  0.0047  -0.0103 124 LEU B N   
1709 C CA  . LEU B 110 ? 0.1181 0.1753 0.1730 0.0072  -0.0207 -0.0280 124 LEU B CA  
1710 C C   . LEU B 110 ? 0.1215 0.1904 0.1794 0.0297  -0.0024 -0.0248 124 LEU B C   
1711 O O   . LEU B 110 ? 0.1264 0.1738 0.1643 0.0156  0.0114  -0.0126 124 LEU B O   
1712 C CB  . LEU B 110 ? 0.1177 0.1661 0.1776 0.0272  -0.0405 -0.0288 124 LEU B CB  
1713 C CG  . LEU B 110 ? 0.1443 0.1824 0.2168 0.0671  -0.0369 -0.0353 124 LEU B CG  
1714 C CD1 . LEU B 110 ? 0.1568 0.2064 0.2375 0.0436  -0.0711 -0.0393 124 LEU B CD1 
1715 C CD2 . LEU B 110 ? 0.1687 0.1867 0.2362 0.0165  -0.0077 -0.0542 124 LEU B CD2 
1716 N N   . VAL B 111 ? 0.1164 0.1832 0.1840 -0.0039 -0.0215 -0.0314 125 VAL B N   
1717 C CA  . VAL B 111 ? 0.1310 0.1774 0.1893 0.0038  -0.0343 -0.0217 125 VAL B CA  
1718 C C   . VAL B 111 ? 0.1404 0.1857 0.1492 -0.0010 0.0016  -0.0093 125 VAL B C   
1719 O O   . VAL B 111 ? 0.1710 0.1932 0.1712 -0.0012 -0.0090 -0.0209 125 VAL B O   
1720 C CB  . VAL B 111 ? 0.1568 0.1570 0.1869 0.0403  -0.0228 -0.0496 125 VAL B CB  
1721 C CG1 . VAL B 111 ? 0.1994 0.1285 0.1821 -0.0235 -0.0024 -0.0649 125 VAL B CG1 
1722 C CG2 . VAL B 111 ? 0.1609 0.1697 0.2044 0.0574  -0.0083 -0.0072 125 VAL B CG2 
1723 N N   . GLY B 112 ? 0.1527 0.1858 0.1217 0.0069  0.0185  0.0047  126 GLY B N   
1724 C CA  . GLY B 112 ? 0.1736 0.1777 0.1342 -0.0065 0.0559  0.0204  126 GLY B CA  
1725 C C   . GLY B 112 ? 0.1544 0.1589 0.1413 -0.0100 0.0360  -0.0021 126 GLY B C   
1726 O O   . GLY B 112 ? 0.1562 0.1427 0.1818 0.0186  0.0023  0.0013  126 GLY B O   
1727 N N   . HIS B 113 ? 0.1757 0.1871 0.1260 0.0150  0.0450  0.0093  127 HIS B N   
1728 C CA  . HIS B 113 ? 0.1962 0.2052 0.1331 0.0327  0.0054  0.0048  127 HIS B CA  
1729 C C   . HIS B 113 ? 0.2176 0.1985 0.1621 0.0712  0.0112  0.0433  127 HIS B C   
1730 O O   . HIS B 113 ? 0.2972 0.2035 0.1889 0.1267  0.0370  0.0622  127 HIS B O   
1731 C CB  . HIS B 113 ? 0.2232 0.2024 0.2261 0.0111  -0.0033 -0.0198 127 HIS B CB  
1732 C CG  . HIS B 113 ? 0.3023 0.2182 0.2976 -0.0357 -0.0342 -0.0431 127 HIS B CG  
1733 N ND1 . HIS B 113 ? 0.3490 0.2295 0.3437 -0.0415 -0.0752 -0.0310 127 HIS B ND1 
1734 C CD2 . HIS B 113 ? 0.3328 0.2074 0.3497 -0.0598 -0.0171 -0.0398 127 HIS B CD2 
1735 C CE1 . HIS B 113 ? 0.3676 0.2330 0.3788 -0.0511 -0.0269 -0.0391 127 HIS B CE1 
1736 N NE2 . HIS B 113 ? 0.3787 0.2182 0.3867 -0.0562 -0.0108 -0.0303 127 HIS B NE2 
1737 N N   . ASP B 114 ? 0.1796 0.1871 0.1672 0.0138  0.0007  0.0314  128 ASP B N   
1738 C CA  . ASP B 114 ? 0.1690 0.1803 0.1941 0.0004  -0.0103 0.0311  128 ASP B CA  
1739 C C   . ASP B 114 ? 0.1564 0.1741 0.1553 0.0048  -0.0103 0.0386  128 ASP B C   
1740 O O   . ASP B 114 ? 0.1634 0.2008 0.1691 0.0042  0.0057  0.0066  128 ASP B O   
1741 C CB  . ASP B 114 ? 0.1480 0.1906 0.2229 0.0016  -0.0145 -0.0077 128 ASP B CB  
1742 C CG  . ASP B 114 ? 0.2417 0.2003 0.3215 0.0177  -0.0124 -0.0045 128 ASP B CG  
1743 O OD1 . ASP B 114 ? 0.2828 0.2139 0.4542 0.0290  -0.0330 -0.0087 128 ASP B OD1 
1744 O OD2 . ASP B 114 ? 0.2338 0.1780 0.2716 0.0359  0.0101  0.0208  128 ASP B OD2 
1745 N N   . THR B 115 ? 0.1889 0.1915 0.1604 -0.0050 0.0052  0.0315  129 THR B N   
1746 C CA  . THR B 115 ? 0.1947 0.2083 0.1745 -0.0312 0.0066  -0.0145 129 THR B CA  
1747 C C   . THR B 115 ? 0.2101 0.1991 0.1704 -0.0138 -0.0007 0.0005  129 THR B C   
1748 O O   . THR B 115 ? 0.2702 0.2170 0.1804 0.0111  0.0130  0.0066  129 THR B O   
1749 C CB  . THR B 115 ? 0.2361 0.2626 0.2129 -0.0540 0.0049  -0.0624 129 THR B CB  
1750 O OG1 . THR B 115 ? 0.3893 0.3052 0.2886 -0.0156 0.0219  -0.0352 129 THR B OG1 
1751 C CG2 . THR B 115 ? 0.2053 0.2667 0.2631 -0.0295 0.0442  -0.0835 129 THR B CG2 
1752 N N   . PHE B 116 ? 0.2223 0.1601 0.1471 -0.0047 0.0205  -0.0109 130 PHE B N   
1753 C CA  . PHE B 116 ? 0.2385 0.1638 0.1433 -0.0508 0.0353  0.0092  130 PHE B CA  
1754 C C   . PHE B 116 ? 0.2008 0.1931 0.1493 -0.0410 0.0137  -0.0047 130 PHE B C   
1755 O O   . PHE B 116 ? 0.1926 0.2061 0.1791 -0.0354 0.0039  0.0023  130 PHE B O   
1756 C CB  . PHE B 116 ? 0.2275 0.1751 0.1607 -0.0633 0.0447  0.0259  130 PHE B CB  
1757 C CG  . PHE B 116 ? 0.2069 0.1805 0.1360 -0.0141 0.0021  0.0276  130 PHE B CG  
1758 C CD1 . PHE B 116 ? 0.2252 0.1945 0.1321 -0.0308 0.0199  0.0261  130 PHE B CD1 
1759 C CD2 . PHE B 116 ? 0.1922 0.1752 0.1685 0.0206  0.0121  0.0340  130 PHE B CD2 
1760 C CE1 . PHE B 116 ? 0.2108 0.1925 0.1554 -0.0372 -0.0037 0.0250  130 PHE B CE1 
1761 C CE2 . PHE B 116 ? 0.2466 0.1833 0.1474 -0.0006 0.0226  0.0229  130 PHE B CE2 
1762 C CZ  . PHE B 116 ? 0.2237 0.1968 0.1435 -0.0434 0.0222  0.0101  130 PHE B CZ  
1763 N N   . THR B 117 ? 0.2683 0.2121 0.1560 -0.0359 -0.0066 0.0123  131 THR B N   
1764 C CA  . THR B 117 ? 0.3087 0.2296 0.1813 -0.0267 -0.0006 0.0214  131 THR B CA  
1765 C C   . THR B 117 ? 0.2990 0.2686 0.1826 -0.0449 -0.0036 0.0137  131 THR B C   
1766 O O   . THR B 117 ? 0.2811 0.2694 0.1534 -0.0484 -0.0226 0.0427  131 THR B O   
1767 C CB  . THR B 117 ? 0.3548 0.2371 0.2556 -0.0161 -0.0516 0.0106  131 THR B CB  
1768 O OG1 . THR B 117 ? 0.4343 0.2347 0.3260 0.0041  0.0147  0.0098  131 THR B OG1 
1769 C CG2 . THR B 117 ? 0.4129 0.2511 0.2606 -0.0338 -0.0117 0.0226  131 THR B CG2 
1770 N N   . LYS B 118 ? 0.3342 0.2957 0.1529 -0.0778 -0.0112 0.0028  132 LYS B N   
1771 C CA  . LYS B 118 ? 0.3578 0.3091 0.1723 -0.0332 -0.0178 0.0088  132 LYS B CA  
1772 C C   . LYS B 118 ? 0.4360 0.3300 0.2090 -0.0453 -0.0312 0.0271  132 LYS B C   
1773 O O   . LYS B 118 ? 0.4248 0.3273 0.1994 -0.0477 -0.0563 0.0329  132 LYS B O   
1774 C CB  . LYS B 118 ? 0.3527 0.3212 0.1868 -0.0071 -0.0121 0.0001  132 LYS B CB  
1775 C CG  . LYS B 118 ? 0.3919 0.3553 0.2524 -0.0037 0.0272  -0.0092 132 LYS B CG  
1776 C CD  . LYS B 118 ? 0.4263 0.3758 0.3265 -0.0148 0.0480  -0.0300 132 LYS B CD  
1777 C CE  . LYS B 118 ? 0.4536 0.4105 0.4252 -0.0371 0.1218  -0.0790 132 LYS B CE  
1778 N NZ  . LYS B 118 ? 0.4403 0.4328 0.4653 -0.0414 0.1679  -0.1137 132 LYS B NZ  
1779 N N   . VAL B 119 ? 0.5008 0.3582 0.3042 -0.0383 -0.0121 0.0577  133 VAL B N   
1780 C CA  . VAL B 119 ? 0.5530 0.4070 0.4273 -0.0430 -0.0113 0.0533  133 VAL B CA  
1781 C C   . VAL B 119 ? 0.5684 0.4302 0.4809 -0.0529 -0.0287 0.0302  133 VAL B C   
1782 O O   . VAL B 119 ? 0.6096 0.4382 0.5093 -0.0479 -0.0103 0.0240  133 VAL B O   
1783 C CB  . VAL B 119 ? 0.5727 0.4178 0.4921 -0.0365 0.0031  0.0629  133 VAL B CB  
1784 C CG1 . VAL B 119 ? 0.5730 0.4188 0.4959 -0.0412 -0.0252 0.0499  133 VAL B CG1 
1785 C CG2 . VAL B 119 ? 0.5966 0.4138 0.5342 -0.0279 0.0463  0.0861  133 VAL B CG2 
1786 N N   . LYS B 120 ? 0.5921 0.4504 0.5443 -0.0778 -0.0323 0.0331  134 LYS B N   
1787 C CA  . LYS B 120 ? 0.6258 0.4770 0.6087 -0.0631 -0.0465 0.0489  134 LYS B CA  
1788 C C   . LYS B 120 ? 0.6216 0.4728 0.6329 -0.0765 -0.0361 0.0725  134 LYS B C   
1789 O O   . LYS B 120 ? 0.5953 0.4702 0.6462 -0.0972 -0.0443 0.0753  134 LYS B O   
1790 C CB  . LYS B 120 ? 0.6549 0.5050 0.6434 -0.0332 -0.0589 0.0666  134 LYS B CB  
1791 C CG  . LYS B 120 ? 0.6934 0.5257 0.6520 -0.0307 -0.0650 0.0767  134 LYS B CG  
1792 C CD  . LYS B 120 ? 0.7145 0.5275 0.6528 -0.0482 -0.0739 0.0649  134 LYS B CD  
1793 C CE  . LYS B 120 ? 0.7277 0.5176 0.6565 -0.0416 -0.0713 0.0615  134 LYS B CE  
1794 N NZ  . LYS B 120 ? 0.7359 0.5158 0.6563 -0.0393 -0.0784 0.0509  134 LYS B NZ  
1795 N N   . GLY C 2   ? 0.4039 0.3533 0.4457 -0.0388 0.0051  -0.0328 16  GLY C N   
1796 C CA  . GLY C 2   ? 0.3414 0.3299 0.4055 -0.0872 0.0172  -0.0193 16  GLY C CA  
1797 C C   . GLY C 2   ? 0.2997 0.3085 0.3452 -0.0955 -0.0063 -0.0356 16  GLY C C   
1798 O O   . GLY C 2   ? 0.3552 0.3128 0.3430 -0.1184 0.0195  -0.0367 16  GLY C O   
1799 N N   . ILE C 3   ? 0.2820 0.2795 0.3198 -0.0667 0.0004  -0.0262 17  ILE C N   
1800 C CA  . ILE C 3   ? 0.2317 0.2600 0.3089 -0.0394 0.0120  -0.0149 17  ILE C CA  
1801 C C   . ILE C 3   ? 0.2612 0.2502 0.2653 -0.0694 0.0167  -0.0304 17  ILE C C   
1802 O O   . ILE C 3   ? 0.3042 0.2693 0.2596 -0.0767 0.0081  -0.0402 17  ILE C O   
1803 C CB  . ILE C 3   ? 0.2285 0.2481 0.3409 0.0310  0.0275  0.0058  17  ILE C CB  
1804 C CG1 . ILE C 3   ? 0.2578 0.2521 0.3307 0.0686  0.0092  -0.0001 17  ILE C CG1 
1805 C CG2 . ILE C 3   ? 0.2007 0.2368 0.3511 0.0070  0.0294  0.0299  17  ILE C CG2 
1806 C CD1 . ILE C 3   ? 0.2618 0.2514 0.3015 0.1019  -0.0319 0.0062  17  ILE C CD1 
1807 N N   . THR C 4   ? 0.2357 0.2358 0.2728 -0.1093 0.0349  -0.0279 18  THR C N   
1808 C CA  . THR C 4   ? 0.2921 0.2424 0.2478 -0.0933 0.0273  -0.0269 18  THR C CA  
1809 C C   . THR C 4   ? 0.2986 0.2493 0.2690 -0.0746 0.0293  -0.0300 18  THR C C   
1810 O O   . THR C 4   ? 0.3278 0.2689 0.2887 -0.0843 0.0542  -0.0019 18  THR C O   
1811 C CB  . THR C 4   ? 0.3139 0.2374 0.2344 -0.1094 0.0086  -0.0238 18  THR C CB  
1812 O OG1 . THR C 4   ? 0.3216 0.2662 0.2406 -0.1066 -0.0020 -0.0074 18  THR C OG1 
1813 C CG2 . THR C 4   ? 0.3306 0.2482 0.2335 -0.0974 0.0559  -0.0157 18  THR C CG2 
1814 N N   . GLY C 5   ? 0.2597 0.2363 0.2537 -0.0764 0.0143  -0.0160 19  GLY C N   
1815 C CA  . GLY C 5   ? 0.2663 0.2349 0.2783 -0.0527 -0.0008 -0.0049 19  GLY C CA  
1816 C C   . GLY C 5   ? 0.2948 0.2249 0.2417 -0.0532 -0.0189 -0.0026 19  GLY C C   
1817 O O   . GLY C 5   ? 0.3007 0.2475 0.2456 -0.0566 0.0339  -0.0100 19  GLY C O   
1818 N N   . THR C 6   ? 0.3040 0.2200 0.2304 -0.0591 -0.0229 -0.0302 20  THR C N   
1819 C CA  . THR C 6   ? 0.3225 0.2238 0.2363 -0.0485 -0.0126 -0.0047 20  THR C CA  
1820 C C   . THR C 6   ? 0.3439 0.2141 0.2458 -0.0610 -0.0116 -0.0225 20  THR C C   
1821 O O   . THR C 6   ? 0.3567 0.2194 0.2354 -0.0710 0.0343  -0.0204 20  THR C O   
1822 C CB  . THR C 6   ? 0.3390 0.2427 0.2680 -0.0350 -0.0337 -0.0135 20  THR C CB  
1823 O OG1 . THR C 6   ? 0.3691 0.2581 0.2674 -0.0267 -0.0029 -0.0136 20  THR C OG1 
1824 C CG2 . THR C 6   ? 0.3434 0.2472 0.3298 -0.0533 -0.0401 -0.0046 20  THR C CG2 
1825 N N   . TRP C 7   ? 0.3188 0.1904 0.2283 -0.0542 -0.0234 -0.0373 21  TRP C N   
1826 C CA  . TRP C 7   ? 0.2870 0.1748 0.2287 -0.0232 -0.0435 -0.0022 21  TRP C CA  
1827 C C   . TRP C 7   ? 0.3176 0.1679 0.2144 -0.0232 -0.0042 0.0246  21  TRP C C   
1828 O O   . TRP C 7   ? 0.3598 0.1909 0.2322 0.0020  0.0349  0.0044  21  TRP C O   
1829 C CB  . TRP C 7   ? 0.3106 0.1755 0.2314 -0.0198 -0.0421 0.0065  21  TRP C CB  
1830 C CG  . TRP C 7   ? 0.2904 0.1893 0.2292 -0.0345 -0.0227 0.0043  21  TRP C CG  
1831 C CD1 . TRP C 7   ? 0.2870 0.1903 0.2409 -0.0461 -0.0383 0.0029  21  TRP C CD1 
1832 C CD2 . TRP C 7   ? 0.2661 0.1772 0.2409 -0.0236 0.0107  -0.0017 21  TRP C CD2 
1833 N NE1 . TRP C 7   ? 0.2681 0.1890 0.2190 -0.0396 -0.0062 -0.0110 21  TRP C NE1 
1834 C CE2 . TRP C 7   ? 0.2678 0.1847 0.2166 -0.0209 0.0217  -0.0126 21  TRP C CE2 
1835 C CE3 . TRP C 7   ? 0.2579 0.2035 0.2479 -0.0338 -0.0009 0.0106  21  TRP C CE3 
1836 C CZ2 . TRP C 7   ? 0.2555 0.2038 0.2346 -0.0262 0.0393  -0.0077 21  TRP C CZ2 
1837 C CZ3 . TRP C 7   ? 0.2320 0.2339 0.2363 -0.0297 -0.0028 0.0095  21  TRP C CZ3 
1838 C CH2 . TRP C 7   ? 0.2383 0.2343 0.2527 -0.0190 0.0224  -0.0112 21  TRP C CH2 
1839 N N   . TYR C 8   ? 0.3057 0.1286 0.2150 -0.0315 -0.0418 0.0468  22  TYR C N   
1840 C CA  . TYR C 8   ? 0.3317 0.1100 0.2661 -0.0079 -0.0229 0.0490  22  TYR C CA  
1841 C C   . TYR C 8   ? 0.3254 0.1384 0.2652 -0.0069 -0.0056 0.0376  22  TYR C C   
1842 O O   . TYR C 8   ? 0.2852 0.1494 0.2352 -0.0248 -0.0082 0.0433  22  TYR C O   
1843 C CB  . TYR C 8   ? 0.3243 0.1094 0.3154 0.0279  0.0023  0.0688  22  TYR C CB  
1844 C CG  . TYR C 8   ? 0.3805 0.1306 0.3315 0.0162  0.0153  0.0860  22  TYR C CG  
1845 C CD1 . TYR C 8   ? 0.3885 0.1253 0.3647 0.0402  -0.0001 0.0719  22  TYR C CD1 
1846 C CD2 . TYR C 8   ? 0.4160 0.1340 0.3510 0.0023  0.0431  0.0745  22  TYR C CD2 
1847 C CE1 . TYR C 8   ? 0.4190 0.1376 0.3792 0.0324  0.0179  0.0821  22  TYR C CE1 
1848 C CE2 . TYR C 8   ? 0.4115 0.1369 0.3779 0.0118  0.0285  0.0852  22  TYR C CE2 
1849 C CZ  . TYR C 8   ? 0.4657 0.1442 0.4058 0.0288  0.0307  0.0766  22  TYR C CZ  
1850 O OH  . TYR C 8   ? 0.4921 0.1612 0.4255 0.0407  0.0275  0.0749  22  TYR C OH  
1851 N N   . ASN C 9   ? 0.2937 0.1548 0.2526 -0.0552 0.0111  0.0409  23  ASN C N   
1852 C CA  . ASN C 9   ? 0.3399 0.1792 0.2309 -0.0389 0.0235  0.0254  23  ASN C CA  
1853 C C   . ASN C 9   ? 0.3257 0.2034 0.2392 -0.0377 -0.0035 0.0314  23  ASN C C   
1854 O O   . ASN C 9   ? 0.2898 0.2016 0.2407 -0.0336 0.0328  0.0142  23  ASN C O   
1855 C CB  . ASN C 9   ? 0.3412 0.2142 0.2586 -0.0485 0.0301  0.0052  23  ASN C CB  
1856 C CG  . ASN C 9   ? 0.3096 0.2238 0.2583 -0.0404 0.0399  0.0059  23  ASN C CG  
1857 O OD1 . ASN C 9   ? 0.2773 0.2464 0.2642 -0.0281 0.0003  0.0060  23  ASN C OD1 
1858 N ND2 . ASN C 9   ? 0.3155 0.2278 0.2557 -0.0210 0.0415  0.0090  23  ASN C ND2 
1859 N N   . GLN C 10  ? 0.3063 0.1998 0.2148 -0.0505 0.0097  -0.0026 24  GLN C N   
1860 C CA  . GLN C 10  ? 0.3671 0.2207 0.2270 -0.0288 -0.0015 0.0157  24  GLN C CA  
1861 C C   . GLN C 10  ? 0.4135 0.2436 0.2164 0.0234  0.0086  0.0429  24  GLN C C   
1862 O O   . GLN C 10  ? 0.4566 0.2757 0.2506 0.0411  0.0241  0.0483  24  GLN C O   
1863 C CB  . GLN C 10  ? 0.3927 0.1996 0.2570 -0.0775 -0.0216 0.0051  24  GLN C CB  
1864 C CG  . GLN C 10  ? 0.3510 0.1897 0.2394 -0.0688 -0.0768 -0.0023 24  GLN C CG  
1865 C CD  . GLN C 10  ? 0.3264 0.1874 0.2791 -0.0273 -0.0608 0.0217  24  GLN C CD  
1866 O OE1 . GLN C 10  ? 0.3207 0.1826 0.2567 -0.0305 -0.0485 0.0429  24  GLN C OE1 
1867 N NE2 . GLN C 10  ? 0.3247 0.2203 0.2918 0.0004  -0.0239 0.0361  24  GLN C NE2 
1868 N N   . LEU C 11  ? 0.3779 0.2377 0.2242 -0.0078 -0.0159 0.0497  25  LEU C N   
1869 C CA  . LEU C 11  ? 0.3934 0.2281 0.2585 0.0321  -0.0186 0.0383  25  LEU C CA  
1870 C C   . LEU C 11  ? 0.4571 0.2339 0.2835 0.0403  -0.0408 0.0063  25  LEU C C   
1871 O O   . LEU C 11  ? 0.4855 0.2711 0.3490 0.0752  -0.0702 -0.0166 25  LEU C O   
1872 C CB  . LEU C 11  ? 0.3840 0.2417 0.2919 0.0295  0.0092  0.0442  25  LEU C CB  
1873 C CG  . LEU C 11  ? 0.4183 0.2378 0.3158 -0.0048 0.0306  0.0584  25  LEU C CG  
1874 C CD1 . LEU C 11  ? 0.3614 0.2289 0.3438 -0.0329 0.0334  0.0976  25  LEU C CD1 
1875 C CD2 . LEU C 11  ? 0.4482 0.2445 0.3006 0.0145  0.0350  0.0201  25  LEU C CD2 
1876 N N   . GLY C 12  ? 0.5011 0.1964 0.2644 0.0000  -0.0123 -0.0147 26  GLY C N   
1877 C CA  . GLY C 12  ? 0.5295 0.1715 0.2547 -0.0150 0.0356  -0.0092 26  GLY C CA  
1878 C C   . GLY C 12  ? 0.5126 0.1979 0.2807 0.0006  0.0127  -0.0076 26  GLY C C   
1879 O O   . GLY C 12  ? 0.5815 0.2040 0.3087 0.0273  0.0226  0.0122  26  GLY C O   
1880 N N   . SER C 13  ? 0.4469 0.2098 0.2719 -0.0295 0.0067  0.0026  27  SER C N   
1881 C CA  . SER C 13  ? 0.4425 0.2233 0.2294 -0.0535 -0.0023 0.0125  27  SER C CA  
1882 C C   . SER C 13  ? 0.3967 0.2156 0.2545 -0.0102 0.0281  0.0141  27  SER C C   
1883 O O   . SER C 13  ? 0.4378 0.2401 0.2972 0.0373  0.0248  -0.0054 27  SER C O   
1884 C CB  . SER C 13  ? 0.5101 0.2595 0.2392 -0.1248 -0.0575 -0.0040 27  SER C CB  
1885 O OG  . SER C 13  ? 0.5420 0.3097 0.2957 -0.1459 -0.0506 0.0309  27  SER C OG  
1886 N N   . THR C 14  ? 0.3527 0.1990 0.2458 -0.0084 0.0436  0.0108  28  THR C N   
1887 C CA  . THR C 14  ? 0.3576 0.1788 0.2422 -0.0131 0.0191  0.0101  28  THR C CA  
1888 C C   . THR C 14  ? 0.3311 0.1700 0.2399 -0.0282 -0.0016 0.0034  28  THR C C   
1889 O O   . THR C 14  ? 0.3487 0.1937 0.2492 -0.0165 0.0105  -0.0119 28  THR C O   
1890 C CB  . THR C 14  ? 0.3841 0.1989 0.2812 -0.0270 0.0117  0.0008  28  THR C CB  
1891 O OG1 . THR C 14  ? 0.3899 0.2226 0.2884 -0.0085 -0.0053 0.0332  28  THR C OG1 
1892 C CG2 . THR C 14  ? 0.4013 0.2137 0.2579 -0.0281 -0.0165 -0.0041 28  THR C CG2 
1893 N N   . PHE C 15  ? 0.2843 0.1531 0.2411 -0.0599 -0.0223 -0.0050 29  PHE C N   
1894 C CA  . PHE C 15  ? 0.2765 0.1543 0.2551 -0.0074 -0.0089 -0.0039 29  PHE C CA  
1895 C C   . PHE C 15  ? 0.3021 0.1693 0.2692 -0.0279 0.0244  -0.0109 29  PHE C C   
1896 O O   . PHE C 15  ? 0.2919 0.2008 0.2957 -0.0751 0.0549  -0.0315 29  PHE C O   
1897 C CB  . PHE C 15  ? 0.2928 0.1518 0.2799 0.0019  0.0132  0.0162  29  PHE C CB  
1898 C CG  . PHE C 15  ? 0.2492 0.1606 0.2576 -0.0337 0.0439  0.0215  29  PHE C CG  
1899 C CD1 . PHE C 15  ? 0.2812 0.1783 0.2454 0.0191  0.0479  0.0108  29  PHE C CD1 
1900 C CD2 . PHE C 15  ? 0.2588 0.1624 0.2635 -0.0249 0.0611  0.0089  29  PHE C CD2 
1901 C CE1 . PHE C 15  ? 0.2213 0.1879 0.2407 -0.0119 0.0409  -0.0293 29  PHE C CE1 
1902 C CE2 . PHE C 15  ? 0.2889 0.1798 0.2660 -0.0207 0.0516  -0.0322 29  PHE C CE2 
1903 C CZ  . PHE C 15  ? 0.2372 0.1814 0.2324 -0.0265 0.0406  -0.0404 29  PHE C CZ  
1904 N N   . ILE C 16  ? 0.2895 0.1483 0.2338 0.0121  0.0389  0.0015  30  ILE C N   
1905 C CA  . ILE C 16  ? 0.2971 0.1406 0.2700 0.0178  -0.0093 -0.0064 30  ILE C CA  
1906 C C   . ILE C 16  ? 0.2605 0.1766 0.2426 -0.0272 -0.0012 0.0073  30  ILE C C   
1907 O O   . ILE C 16  ? 0.2562 0.2596 0.2642 -0.0091 0.0080  0.0396  30  ILE C O   
1908 C CB  . ILE C 16  ? 0.3621 0.1463 0.3179 0.0047  -0.0494 -0.0106 30  ILE C CB  
1909 C CG1 . ILE C 16  ? 0.3922 0.1500 0.3319 -0.0179 -0.0612 -0.0088 30  ILE C CG1 
1910 C CG2 . ILE C 16  ? 0.3765 0.1538 0.3481 0.0302  -0.0560 -0.0038 30  ILE C CG2 
1911 C CD1 . ILE C 16  ? 0.4149 0.1819 0.3563 -0.0153 -0.0455 -0.0228 30  ILE C CD1 
1912 N N   . VAL C 17  ? 0.2448 0.1776 0.2308 -0.0497 -0.0086 0.0053  31  VAL C N   
1913 C CA  . VAL C 17  ? 0.2527 0.1915 0.2184 -0.0445 -0.0020 0.0150  31  VAL C CA  
1914 C C   . VAL C 17  ? 0.2800 0.2097 0.2322 -0.0423 0.0339  0.0025  31  VAL C C   
1915 O O   . VAL C 17  ? 0.2791 0.2167 0.2546 -0.0602 0.0430  -0.0309 31  VAL C O   
1916 C CB  . VAL C 17  ? 0.2727 0.1982 0.2545 -0.0384 0.0113  0.0196  31  VAL C CB  
1917 C CG1 . VAL C 17  ? 0.2837 0.2012 0.2475 -0.0161 0.0050  0.0152  31  VAL C CG1 
1918 C CG2 . VAL C 17  ? 0.2957 0.2161 0.2736 0.0003  -0.0560 0.0434  31  VAL C CG2 
1919 N N   . THR C 18  ? 0.3095 0.2116 0.2281 -0.0208 0.0157  -0.0071 32  THR C N   
1920 C CA  . THR C 18  ? 0.3441 0.2294 0.2347 -0.0311 0.0286  0.0066  32  THR C CA  
1921 C C   . THR C 18  ? 0.2989 0.2317 0.2279 -0.0530 0.0339  0.0012  32  THR C C   
1922 O O   . THR C 18  ? 0.2625 0.2310 0.2128 -0.0679 0.0086  -0.0072 32  THR C O   
1923 C CB  . THR C 18  ? 0.3941 0.2531 0.2949 -0.0497 0.0235  -0.0068 32  THR C CB  
1924 O OG1 . THR C 18  ? 0.4179 0.2592 0.3221 -0.0522 0.0357  -0.0281 32  THR C OG1 
1925 C CG2 . THR C 18  ? 0.3973 0.2783 0.3118 -0.0613 0.0085  -0.0055 32  THR C CG2 
1926 N N   . ALA C 19  ? 0.2697 0.2620 0.2434 -0.0736 0.0210  -0.0315 33  ALA C N   
1927 C CA  . ALA C 19  ? 0.2613 0.3012 0.2257 -0.0830 0.0187  -0.0519 33  ALA C CA  
1928 C C   . ALA C 19  ? 0.2736 0.3326 0.2439 -0.1260 -0.0157 -0.0312 33  ALA C C   
1929 O O   . ALA C 19  ? 0.2832 0.3578 0.2514 -0.1454 -0.0101 0.0071  33  ALA C O   
1930 C CB  . ALA C 19  ? 0.2384 0.3040 0.2543 -0.0689 0.0302  -0.0502 33  ALA C CB  
1931 N N   . GLY C 20  ? 0.2862 0.3417 0.2310 -0.1172 -0.0389 -0.0420 34  GLY C N   
1932 C CA  . GLY C 20  ? 0.3559 0.3462 0.2498 -0.1120 -0.0383 -0.0320 34  GLY C CA  
1933 C C   . GLY C 20  ? 0.3459 0.3538 0.2618 -0.1212 -0.0807 -0.0450 34  GLY C C   
1934 O O   . GLY C 20  ? 0.3332 0.3610 0.2886 -0.1014 -0.0568 -0.0486 34  GLY C O   
1935 N N   . ALA C 21  ? 0.4315 0.3581 0.2510 -0.1200 -0.1051 -0.0203 35  ALA C N   
1936 C CA  . ALA C 21  ? 0.4566 0.3664 0.2843 -0.1417 -0.1402 -0.0224 35  ALA C CA  
1937 C C   . ALA C 21  ? 0.4622 0.3565 0.2882 -0.1060 -0.1513 0.0036  35  ALA C C   
1938 O O   . ALA C 21  ? 0.5110 0.3741 0.3314 -0.0562 -0.1413 0.0107  35  ALA C O   
1939 C CB  . ALA C 21  ? 0.4747 0.3860 0.3003 -0.1431 -0.1511 -0.0457 35  ALA C CB  
1940 N N   . ASP C 22  ? 0.4155 0.3254 0.2528 -0.1394 -0.1166 0.0142  36  ASP C N   
1941 C CA  . ASP C 22  ? 0.4246 0.3122 0.2751 -0.1368 -0.0662 0.0201  36  ASP C CA  
1942 C C   . ASP C 22  ? 0.3994 0.2943 0.2585 -0.1490 -0.0730 0.0036  36  ASP C C   
1943 O O   . ASP C 22  ? 0.4627 0.2856 0.2821 -0.1621 -0.0714 -0.0044 36  ASP C O   
1944 C CB  . ASP C 22  ? 0.4419 0.3301 0.2981 -0.1421 -0.0372 0.0261  36  ASP C CB  
1945 C CG  . ASP C 22  ? 0.4918 0.3626 0.3403 -0.1133 0.0092  0.0461  36  ASP C CG  
1946 O OD1 . ASP C 22  ? 0.5193 0.3491 0.3358 -0.0920 -0.0051 0.0592  36  ASP C OD1 
1947 O OD2 . ASP C 22  ? 0.5144 0.3957 0.3873 -0.1100 0.0411  0.0420  36  ASP C OD2 
1948 N N   . GLY C 23  ? 0.2798 0.2882 0.2511 -0.1121 -0.0513 -0.0238 37  GLY C N   
1949 C CA  . GLY C 23  ? 0.2229 0.2524 0.2294 -0.0671 -0.0189 -0.0517 37  GLY C CA  
1950 C C   . GLY C 23  ? 0.2042 0.2315 0.2186 -0.0579 -0.0149 -0.0352 37  GLY C C   
1951 O O   . GLY C 23  ? 0.1953 0.2219 0.2019 -0.0307 -0.0004 -0.0585 37  GLY C O   
1952 N N   . ALA C 24  ? 0.1880 0.2320 0.2453 -0.0330 0.0252  -0.0298 38  ALA C N   
1953 C CA  . ALA C 24  ? 0.1907 0.2302 0.2298 -0.0348 0.0428  -0.0434 38  ALA C CA  
1954 C C   . ALA C 24  ? 0.1662 0.2113 0.2347 -0.0426 0.0048  -0.0401 38  ALA C C   
1955 O O   . ALA C 24  ? 0.2275 0.1901 0.2544 -0.0909 -0.0129 -0.0241 38  ALA C O   
1956 C CB  . ALA C 24  ? 0.2440 0.2717 0.2828 -0.0197 0.0413  -0.0331 38  ALA C CB  
1957 N N   . LEU C 25  ? 0.1823 0.2135 0.2141 -0.0159 -0.0004 -0.0512 39  LEU C N   
1958 C CA  . LEU C 25  ? 0.1810 0.2011 0.1935 0.0071  0.0187  -0.0336 39  LEU C CA  
1959 C C   . LEU C 25  ? 0.1955 0.2068 0.2201 -0.0128 0.0203  -0.0236 39  LEU C C   
1960 O O   . LEU C 25  ? 0.1925 0.2173 0.2540 -0.0366 0.0353  -0.0375 39  LEU C O   
1961 C CB  . LEU C 25  ? 0.1906 0.1716 0.1918 -0.0067 0.0192  -0.0609 39  LEU C CB  
1962 C CG  . LEU C 25  ? 0.2078 0.1510 0.1735 -0.0275 0.0258  -0.0230 39  LEU C CG  
1963 C CD1 . LEU C 25  ? 0.2292 0.1583 0.1671 -0.0391 0.0152  -0.0423 39  LEU C CD1 
1964 C CD2 . LEU C 25  ? 0.2429 0.1510 0.1799 -0.0451 0.0261  -0.0031 39  LEU C CD2 
1965 N N   . THR C 26  ? 0.2113 0.1980 0.2190 -0.0065 -0.0126 -0.0411 40  THR C N   
1966 C CA  . THR C 26  ? 0.2340 0.1644 0.2169 -0.0217 -0.0344 -0.0305 40  THR C CA  
1967 C C   . THR C 26  ? 0.2064 0.1870 0.2258 -0.0321 -0.0305 -0.0013 40  THR C C   
1968 O O   . THR C 26  ? 0.2490 0.2383 0.2724 -0.0453 0.0152  0.0121  40  THR C O   
1969 C CB  . THR C 26  ? 0.2900 0.1674 0.2328 -0.0474 -0.0343 -0.0266 40  THR C CB  
1970 O OG1 . THR C 26  ? 0.3197 0.1920 0.2808 -0.0297 -0.0030 -0.0226 40  THR C OG1 
1971 C CG2 . THR C 26  ? 0.3361 0.1592 0.2114 -0.0717 -0.0460 -0.0340 40  THR C CG2 
1972 N N   . GLY C 27  ? 0.2170 0.1535 0.2333 -0.0334 -0.0120 0.0037  41  GLY C N   
1973 C CA  . GLY C 27  ? 0.2427 0.1427 0.2755 -0.0018 -0.0049 0.0201  41  GLY C CA  
1974 C C   . GLY C 27  ? 0.2610 0.1251 0.2785 0.0029  0.0164  0.0087  41  GLY C C   
1975 O O   . GLY C 27  ? 0.2629 0.1331 0.2921 -0.0077 0.0354  -0.0192 41  GLY C O   
1976 N N   . THR C 28  ? 0.2938 0.1195 0.2803 0.0192  0.0304  0.0080  42  THR C N   
1977 C CA  . THR C 28  ? 0.3281 0.1391 0.2483 0.0175  0.0226  -0.0008 42  THR C CA  
1978 C C   . THR C 28  ? 0.2867 0.1514 0.2386 0.0090  0.0102  -0.0012 42  THR C C   
1979 O O   . THR C 28  ? 0.2919 0.1669 0.2674 0.0308  -0.0155 0.0203  42  THR C O   
1980 C CB  . THR C 28  ? 0.3564 0.1441 0.2834 0.0324  0.0443  0.0041  42  THR C CB  
1981 O OG1 . THR C 28  ? 0.4025 0.1847 0.2872 0.0473  0.0240  -0.0178 42  THR C OG1 
1982 C CG2 . THR C 28  ? 0.3158 0.1289 0.2819 0.0779  0.0423  -0.0195 42  THR C CG2 
1983 N N   . TYR C 29  ? 0.2458 0.1624 0.2319 0.0138  0.0239  -0.0067 43  TYR C N   
1984 C CA  . TYR C 29  ? 0.2165 0.1669 0.2393 -0.0176 -0.0289 -0.0090 43  TYR C CA  
1985 C C   . TYR C 29  ? 0.2645 0.2163 0.2458 -0.0251 0.0001  -0.0047 43  TYR C C   
1986 O O   . TYR C 29  ? 0.2357 0.2275 0.2626 0.0151  0.0104  0.0113  43  TYR C O   
1987 C CB  . TYR C 29  ? 0.2672 0.1587 0.2321 -0.0133 0.0323  -0.0040 43  TYR C CB  
1988 C CG  . TYR C 29  ? 0.2718 0.1507 0.2426 0.0140  0.0241  0.0055  43  TYR C CG  
1989 C CD1 . TYR C 29  ? 0.3013 0.1569 0.2314 0.0124  0.0161  -0.0022 43  TYR C CD1 
1990 C CD2 . TYR C 29  ? 0.2880 0.1478 0.2792 0.0052  0.0650  0.0075  43  TYR C CD2 
1991 C CE1 . TYR C 29  ? 0.2849 0.1483 0.2587 0.0389  0.0631  0.0383  43  TYR C CE1 
1992 C CE2 . TYR C 29  ? 0.3032 0.1679 0.2690 -0.0190 0.0498  0.0019  43  TYR C CE2 
1993 C CZ  . TYR C 29  ? 0.2859 0.1696 0.2520 0.0173  0.0653  0.0282  43  TYR C CZ  
1994 O OH  . TYR C 29  ? 0.3142 0.1890 0.2629 0.0171  0.0272  0.0213  43  TYR C OH  
1995 N N   . GLU C 30  ? 0.3199 0.2504 0.2534 -0.0345 0.0115  0.0183  44  GLU C N   
1996 C CA  . GLU C 30  ? 0.3466 0.3284 0.3280 -0.0468 0.0263  -0.0082 44  GLU C CA  
1997 C C   . GLU C 30  ? 0.3658 0.3886 0.3434 -0.0848 -0.0143 -0.0168 44  GLU C C   
1998 O O   . GLU C 30  ? 0.3401 0.3962 0.2953 -0.0772 0.0169  -0.0338 44  GLU C O   
1999 C CB  . GLU C 30  ? 0.4090 0.3504 0.4378 0.0166  0.0312  0.0378  44  GLU C CB  
2000 C CG  . GLU C 30  ? 0.5051 0.3808 0.5501 0.0390  0.0954  0.0547  44  GLU C CG  
2001 C CD  . GLU C 30  ? 0.5901 0.4058 0.6368 0.0985  0.1154  0.0935  44  GLU C CD  
2002 O OE1 . GLU C 30  ? 0.6264 0.4174 0.6851 0.1210  0.1338  0.1112  44  GLU C OE1 
2003 O OE2 . GLU C 30  ? 0.6354 0.4282 0.6752 0.0984  0.1518  0.0894  44  GLU C OE2 
2004 N N   . SER C 31  ? 0.4067 0.4347 0.3753 -0.0849 -0.0323 -0.0135 45  SER C N   
2005 C CA  . SER C 31  ? 0.4867 0.4609 0.4361 -0.0599 -0.0293 0.0110  45  SER C CA  
2006 C C   . SER C 31  ? 0.5470 0.4857 0.4681 -0.0273 -0.0546 0.0478  45  SER C C   
2007 O O   . SER C 31  ? 0.5680 0.5072 0.4921 0.0143  -0.0802 0.0748  45  SER C O   
2008 C CB  . SER C 31  ? 0.5147 0.4610 0.4753 -0.0576 0.0191  0.0014  45  SER C CB  
2009 O OG  . SER C 31  ? 0.5462 0.4787 0.5251 -0.0682 0.0832  0.0020  45  SER C OG  
2010 N N   . GLY C 34  ? 0.8057 0.7416 0.7250 -0.0131 0.0372  0.1245  48  GLY C N   
2011 C CA  . GLY C 34  ? 0.8112 0.7460 0.7371 0.0076  0.0380  0.1259  48  GLY C CA  
2012 C C   . GLY C 34  ? 0.8109 0.7475 0.7567 0.0317  0.0303  0.1303  48  GLY C C   
2013 O O   . GLY C 34  ? 0.8203 0.7566 0.7656 0.0428  0.0158  0.1329  48  GLY C O   
2014 N N   . ASN C 35  ? 0.7992 0.7390 0.7547 0.0314  0.0417  0.1306  49  ASN C N   
2015 C CA  . ASN C 35  ? 0.7977 0.7293 0.7576 0.0253  0.0514  0.1126  49  ASN C CA  
2016 C C   . ASN C 35  ? 0.7931 0.7049 0.7483 0.0211  0.0563  0.0899  49  ASN C C   
2017 O O   . ASN C 35  ? 0.8004 0.7080 0.7531 0.0184  0.0911  0.1001  49  ASN C O   
2018 C CB  . ASN C 35  ? 0.8129 0.7465 0.7682 0.0177  0.0526  0.1108  49  ASN C CB  
2019 C CG  . ASN C 35  ? 0.8237 0.7626 0.7739 0.0111  0.0529  0.1072  49  ASN C CG  
2020 O OD1 . ASN C 35  ? 0.8309 0.7710 0.7636 0.0188  0.1049  0.1124  49  ASN C OD1 
2021 N ND2 . ASN C 35  ? 0.8253 0.7662 0.7866 -0.0019 0.0140  0.0962  49  ASN C ND2 
2022 N N   . ALA C 36  ? 0.7769 0.6766 0.7348 0.0268  0.0464  0.0649  50  ALA C N   
2023 C CA  . ALA C 36  ? 0.7389 0.6482 0.7002 0.0456  -0.0019 0.0395  50  ALA C CA  
2024 C C   . ALA C 36  ? 0.6848 0.6178 0.6623 0.0666  -0.0473 0.0252  50  ALA C C   
2025 O O   . ALA C 36  ? 0.6567 0.6132 0.6347 0.0777  -0.0956 0.0163  50  ALA C O   
2026 C CB  . ALA C 36  ? 0.7418 0.6493 0.7096 0.0468  -0.0170 0.0361  50  ALA C CB  
2027 N N   . GLU C 37  ? 0.6431 0.5850 0.6454 0.0900  -0.0411 0.0298  51  GLU C N   
2028 C CA  . GLU C 37  ? 0.5927 0.5509 0.5984 0.0956  -0.0289 0.0559  51  GLU C CA  
2029 C C   . GLU C 37  ? 0.5264 0.5107 0.5411 0.1109  -0.0465 0.0857  51  GLU C C   
2030 O O   . GLU C 37  ? 0.4835 0.5110 0.4925 0.0843  -0.0725 0.0770  51  GLU C O   
2031 C CB  . GLU C 37  ? 0.6154 0.5603 0.6074 0.0856  -0.0015 0.0487  51  GLU C CB  
2032 C CG  . GLU C 37  ? 0.6229 0.5698 0.6115 0.0664  0.0106  0.0361  51  GLU C CG  
2033 C CD  . GLU C 37  ? 0.6366 0.5749 0.6215 0.0352  0.0221  0.0229  51  GLU C CD  
2034 O OE1 . GLU C 37  ? 0.6535 0.5748 0.6251 0.0195  0.0300  0.0137  51  GLU C OE1 
2035 O OE2 . GLU C 37  ? 0.6285 0.5776 0.6233 0.0287  0.0183  0.0220  51  GLU C OE2 
2036 N N   . SER C 38  ? 0.5144 0.4725 0.5246 0.1381  -0.0349 0.1240  52  SER C N   
2037 C CA  . SER C 38  ? 0.5211 0.4391 0.4883 0.1268  -0.0014 0.1194  52  SER C CA  
2038 C C   . SER C 38  ? 0.4653 0.3918 0.4235 0.1273  0.0080  0.1456  52  SER C C   
2039 O O   . SER C 38  ? 0.4960 0.4102 0.4422 0.0966  0.0540  0.1449  52  SER C O   
2040 C CB  . SER C 38  ? 0.5701 0.4461 0.5263 0.1062  -0.0083 0.1192  52  SER C CB  
2041 O OG  . SER C 38  ? 0.5862 0.4499 0.5317 0.1001  -0.0038 0.1268  52  SER C OG  
2042 N N   . ARG C 39  ? 0.4162 0.3469 0.3599 0.1222  0.0243  0.1210  53  ARG C N   
2043 C CA  . ARG C 39  ? 0.4133 0.3062 0.3558 0.0812  0.0720  0.0346  53  ARG C CA  
2044 C C   . ARG C 39  ? 0.3525 0.2471 0.2726 0.0785  0.0662  0.0179  53  ARG C C   
2045 O O   . ARG C 39  ? 0.3616 0.2223 0.2646 0.0852  0.0622  0.0026  53  ARG C O   
2046 C CB  . ARG C 39  ? 0.4607 0.3247 0.4285 0.0740  0.0914  -0.0035 53  ARG C CB  
2047 C CG  . ARG C 39  ? 0.4733 0.3525 0.5016 0.1179  0.0150  -0.0038 53  ARG C CG  
2048 C CD  . ARG C 39  ? 0.5166 0.3940 0.5731 0.0945  -0.0114 0.0280  53  ARG C CD  
2049 N NE  . ARG C 39  ? 0.5976 0.4426 0.6249 0.0693  0.0096  0.0326  53  ARG C NE  
2050 C CZ  . ARG C 39  ? 0.6510 0.4720 0.6469 0.0613  0.0465  0.0433  53  ARG C CZ  
2051 N NH1 . ARG C 39  ? 0.6930 0.4877 0.6591 0.0468  0.0305  0.0439  53  ARG C NH1 
2052 N NH2 . ARG C 39  ? 0.6614 0.4821 0.6472 0.0609  0.0798  0.0586  53  ARG C NH2 
2053 N N   . TYR C 40  ? 0.2819 0.2192 0.2164 0.0676  0.0281  0.0133  54  TYR C N   
2054 C CA  . TYR C 40  ? 0.2369 0.1869 0.1941 0.0220  -0.0236 -0.0008 54  TYR C CA  
2055 C C   . TYR C 40  ? 0.2644 0.1805 0.2034 0.0011  0.0083  -0.0181 54  TYR C C   
2056 O O   . TYR C 40  ? 0.3232 0.1772 0.2134 -0.0150 0.0568  0.0020  54  TYR C O   
2057 C CB  . TYR C 40  ? 0.2521 0.1869 0.1951 0.0239  -0.0019 0.0099  54  TYR C CB  
2058 C CG  . TYR C 40  ? 0.2688 0.1920 0.2194 0.0594  -0.0068 0.0004  54  TYR C CG  
2059 C CD1 . TYR C 40  ? 0.2979 0.2065 0.2243 0.0293  0.0240  -0.0204 54  TYR C CD1 
2060 C CD2 . TYR C 40  ? 0.2332 0.1956 0.2266 0.0552  0.0051  -0.0148 54  TYR C CD2 
2061 C CE1 . TYR C 40  ? 0.2930 0.2102 0.2371 0.0501  -0.0168 -0.0125 54  TYR C CE1 
2062 C CE2 . TYR C 40  ? 0.2726 0.1951 0.2397 0.0487  -0.0158 -0.0309 54  TYR C CE2 
2063 C CZ  . TYR C 40  ? 0.2967 0.2057 0.2563 0.0593  -0.0470 -0.0284 54  TYR C CZ  
2064 O OH  . TYR C 40  ? 0.3606 0.2049 0.2987 0.0843  -0.0748 0.0034  54  TYR C OH  
2065 N N   . VAL C 41  ? 0.2478 0.1904 0.2184 0.0311  -0.0171 -0.0256 55  VAL C N   
2066 C CA  . VAL C 41  ? 0.2097 0.1924 0.2116 0.0390  -0.0102 -0.0149 55  VAL C CA  
2067 C C   . VAL C 41  ? 0.1923 0.1774 0.2313 0.0063  0.0039  -0.0207 55  VAL C C   
2068 O O   . VAL C 41  ? 0.2100 0.1571 0.2341 0.0349  0.0072  -0.0029 55  VAL C O   
2069 C CB  . VAL C 41  ? 0.2350 0.1852 0.1864 0.0431  -0.0227 -0.0401 55  VAL C CB  
2070 C CG1 . VAL C 41  ? 0.2338 0.1721 0.2044 0.0536  0.0000  -0.0378 55  VAL C CG1 
2071 C CG2 . VAL C 41  ? 0.2893 0.1911 0.2011 0.0690  0.0371  -0.0688 55  VAL C CG2 
2072 N N   . LEU C 42  ? 0.1744 0.1775 0.2485 0.0323  0.0021  -0.0133 56  LEU C N   
2073 C CA  . LEU C 42  ? 0.1823 0.1637 0.2370 0.0098  0.0066  -0.0306 56  LEU C CA  
2074 C C   . LEU C 42  ? 0.1856 0.1503 0.2325 -0.0136 -0.0017 -0.0422 56  LEU C C   
2075 O O   . LEU C 42  ? 0.1885 0.1191 0.2596 -0.0238 0.0007  -0.0249 56  LEU C O   
2076 C CB  . LEU C 42  ? 0.2450 0.1559 0.2318 -0.0198 0.0251  -0.0279 56  LEU C CB  
2077 C CG  . LEU C 42  ? 0.2536 0.1288 0.2679 0.0117  0.0143  0.0177  56  LEU C CG  
2078 C CD1 . LEU C 42  ? 0.1954 0.1054 0.2981 -0.0139 0.0313  0.0166  56  LEU C CD1 
2079 C CD2 . LEU C 42  ? 0.3077 0.1037 0.2929 0.0322  0.0086  0.0388  56  LEU C CD2 
2080 N N   A THR C 43  ? 0.1793 0.1558 0.2277 -0.0001 0.0065  -0.0446 57  THR C N   
2081 N N   B THR C 43  ? 0.1905 0.1817 0.2464 0.0066  0.0517  -0.0344 57  THR C N   
2082 C CA  A THR C 43  ? 0.1626 0.1483 0.1924 0.0034  -0.0245 -0.0428 57  THR C CA  
2083 C CA  B THR C 43  ? 0.1796 0.1846 0.2317 0.0107  0.0389  -0.0264 57  THR C CA  
2084 C C   A THR C 43  ? 0.1638 0.1421 0.2058 -0.0089 -0.0226 -0.0316 57  THR C C   
2085 C C   B THR C 43  ? 0.1671 0.1686 0.2160 -0.0091 0.0041  -0.0477 57  THR C C   
2086 O O   A THR C 43  ? 0.1800 0.1084 0.2216 0.0042  -0.0407 0.0043  57  THR C O   
2087 O O   B THR C 43  ? 0.1589 0.1437 0.2021 0.0110  -0.0371 -0.0508 57  THR C O   
2088 C CB  A THR C 43  ? 0.1982 0.1440 0.1892 0.0005  -0.0056 -0.0662 57  THR C CB  
2089 C CB  B THR C 43  ? 0.2378 0.2007 0.2925 -0.0008 0.0861  -0.0186 57  THR C CB  
2090 O OG1 A THR C 43  ? 0.2202 0.1300 0.1778 0.0248  0.0055  -0.0590 57  THR C OG1 
2091 O OG1 B THR C 43  ? 0.2416 0.2130 0.2951 0.0078  0.0588  -0.0089 57  THR C OG1 
2092 C CG2 A THR C 43  ? 0.2024 0.1493 0.1793 -0.0202 -0.0278 -0.0906 57  THR C CG2 
2093 C CG2 B THR C 43  ? 0.3240 0.2024 0.3232 0.0055  0.1377  -0.0190 57  THR C CG2 
2094 N N   . GLY C 44  ? 0.1322 0.1620 0.1914 -0.0196 -0.0160 -0.0360 58  GLY C N   
2095 C CA  . GLY C 44  ? 0.1504 0.1787 0.1999 0.0050  0.0038  -0.0270 58  GLY C CA  
2096 C C   . GLY C 44  ? 0.1434 0.1783 0.1709 0.0001  0.0184  -0.0207 58  GLY C C   
2097 O O   . GLY C 44  ? 0.1968 0.1863 0.1651 -0.0411 0.0019  -0.0256 58  GLY C O   
2098 N N   . ARG C 45  ? 0.1390 0.1913 0.2085 -0.0404 0.0387  -0.0454 59  ARG C N   
2099 C CA  . ARG C 45  ? 0.1436 0.2074 0.1840 -0.0201 0.0337  -0.0191 59  ARG C CA  
2100 C C   . ARG C 45  ? 0.1469 0.2351 0.1578 -0.0391 0.0291  -0.0214 59  ARG C C   
2101 O O   . ARG C 45  ? 0.1494 0.2671 0.1717 -0.0120 0.0269  -0.0495 59  ARG C O   
2102 C CB  . ARG C 45  ? 0.1604 0.2077 0.1731 -0.0103 0.0175  -0.0399 59  ARG C CB  
2103 C CG  . ARG C 45  ? 0.1793 0.2355 0.1822 -0.0101 -0.0194 -0.0529 59  ARG C CG  
2104 C CD  . ARG C 45  ? 0.1397 0.2660 0.1718 -0.0266 -0.0577 -0.0327 59  ARG C CD  
2105 N NE  . ARG C 45  ? 0.1463 0.2305 0.1694 -0.0091 -0.0462 -0.0391 59  ARG C NE  
2106 C CZ  . ARG C 45  ? 0.1552 0.2106 0.1714 -0.0022 -0.0176 -0.0129 59  ARG C CZ  
2107 N NH1 . ARG C 45  ? 0.1682 0.1934 0.1945 -0.0033 0.0040  -0.0056 59  ARG C NH1 
2108 N NH2 . ARG C 45  ? 0.1714 0.2134 0.2126 -0.0125 -0.0270 0.0085  59  ARG C NH2 
2109 N N   . TYR C 46  ? 0.1528 0.2392 0.1707 -0.0191 0.0218  -0.0093 60  TYR C N   
2110 C CA  . TYR C 46  ? 0.1460 0.2409 0.1876 -0.0033 0.0157  -0.0052 60  TYR C CA  
2111 C C   . TYR C 46  ? 0.1565 0.2374 0.2032 -0.0083 0.0061  -0.0190 60  TYR C C   
2112 O O   . TYR C 46  ? 0.1587 0.2397 0.2006 -0.0079 -0.0006 -0.0359 60  TYR C O   
2113 C CB  . TYR C 46  ? 0.1560 0.2527 0.1844 -0.0220 0.0030  -0.0048 60  TYR C CB  
2114 C CG  . TYR C 46  ? 0.1831 0.2421 0.2006 -0.0301 0.0063  -0.0191 60  TYR C CG  
2115 C CD1 . TYR C 46  ? 0.1956 0.2384 0.2163 -0.0268 -0.0169 -0.0128 60  TYR C CD1 
2116 C CD2 . TYR C 46  ? 0.2109 0.2398 0.2078 -0.0546 -0.0097 -0.0117 60  TYR C CD2 
2117 C CE1 . TYR C 46  ? 0.2014 0.2528 0.2358 -0.0510 -0.0610 -0.0184 60  TYR C CE1 
2118 C CE2 . TYR C 46  ? 0.2598 0.2581 0.2610 -0.0597 -0.0247 -0.0127 60  TYR C CE2 
2119 C CZ  . TYR C 46  ? 0.2351 0.2607 0.2817 -0.0781 -0.0554 -0.0368 60  TYR C CZ  
2120 O OH  . TYR C 46  ? 0.2562 0.2761 0.3370 -0.0862 -0.0673 -0.0376 60  TYR C OH  
2121 N N   . ASP C 47  ? 0.1364 0.2528 0.1827 -0.0084 -0.0091 -0.0137 61  ASP C N   
2122 C CA  . ASP C 47  ? 0.1057 0.2610 0.2031 -0.0305 -0.0126 -0.0386 61  ASP C CA  
2123 C C   . ASP C 47  ? 0.1428 0.2590 0.2208 -0.0428 -0.0273 -0.0459 61  ASP C C   
2124 O O   . ASP C 47  ? 0.1641 0.2564 0.2362 -0.0255 -0.0174 -0.0314 61  ASP C O   
2125 C CB  . ASP C 47  ? 0.1175 0.2778 0.2255 0.0058  0.0306  -0.0406 61  ASP C CB  
2126 C CG  . ASP C 47  ? 0.1364 0.2837 0.2224 -0.0065 -0.0031 -0.0434 61  ASP C CG  
2127 O OD1 . ASP C 47  ? 0.1219 0.2852 0.2468 -0.0345 -0.0153 -0.0349 61  ASP C OD1 
2128 O OD2 . ASP C 47  ? 0.1175 0.2807 0.2295 0.0233  0.0176  -0.0277 61  ASP C OD2 
2129 N N   . SER C 48  ? 0.1472 0.2525 0.2092 -0.0401 -0.0256 -0.0572 62  SER C N   
2130 C CA  . SER C 48  ? 0.1672 0.2749 0.2179 -0.0480 0.0020  -0.0550 62  SER C CA  
2131 C C   . SER C 48  ? 0.1980 0.2905 0.2600 -0.0447 0.0079  -0.0657 62  SER C C   
2132 O O   . SER C 48  ? 0.2121 0.2738 0.3144 -0.0558 0.0132  -0.0743 62  SER C O   
2133 C CB  . SER C 48  ? 0.2537 0.3020 0.2447 -0.0225 -0.0022 -0.0515 62  SER C CB  
2134 O OG  . SER C 48  ? 0.3128 0.3197 0.2798 0.0066  0.0405  -0.0421 62  SER C OG  
2135 N N   . ALA C 49  ? 0.1432 0.3108 0.2561 -0.0232 -0.0055 -0.0626 63  ALA C N   
2136 C CA  . ALA C 49  ? 0.1530 0.3115 0.2248 -0.0174 0.0002  -0.0663 63  ALA C CA  
2137 C C   . ALA C 49  ? 0.1779 0.3162 0.2241 -0.0154 0.0196  -0.0343 63  ALA C C   
2138 O O   . ALA C 49  ? 0.1696 0.3134 0.2303 -0.0352 0.0018  -0.0300 63  ALA C O   
2139 C CB  . ALA C 49  ? 0.2004 0.3262 0.2569 -0.0013 -0.0105 -0.0571 63  ALA C CB  
2140 N N   . PRO C 50  ? 0.2313 0.3238 0.2030 -0.0328 0.0166  -0.0480 64  PRO C N   
2141 C CA  . PRO C 50  ? 0.1969 0.3322 0.1957 -0.0233 0.0001  -0.0589 64  PRO C CA  
2142 C C   . PRO C 50  ? 0.1864 0.3540 0.2085 -0.0227 -0.0062 -0.0461 64  PRO C C   
2143 O O   . PRO C 50  ? 0.1965 0.3529 0.2622 -0.0344 -0.0026 -0.0349 64  PRO C O   
2144 C CB  . PRO C 50  ? 0.2383 0.3216 0.2323 -0.0369 -0.0115 -0.0540 64  PRO C CB  
2145 C CG  . PRO C 50  ? 0.2813 0.3376 0.2402 -0.0358 -0.0136 -0.0672 64  PRO C CG  
2146 C CD  . PRO C 50  ? 0.2839 0.3245 0.2082 -0.0159 0.0062  -0.0660 64  PRO C CD  
2147 N N   . ALA C 51  ? 0.1872 0.3680 0.2158 -0.0098 0.0106  -0.0201 65  ALA C N   
2148 C CA  . ALA C 51  ? 0.2109 0.4029 0.2257 0.0068  0.0307  -0.0155 65  ALA C CA  
2149 C C   . ALA C 51  ? 0.2288 0.4302 0.2383 0.0012  0.0070  -0.0047 65  ALA C C   
2150 O O   . ALA C 51  ? 0.2443 0.4406 0.2683 -0.0256 0.0405  0.0056  65  ALA C O   
2151 C CB  . ALA C 51  ? 0.2431 0.4042 0.1967 0.0072  0.0093  -0.0257 65  ALA C CB  
2152 N N   . THR C 52  ? 0.2579 0.4560 0.2365 0.0058  0.0653  -0.0243 66  THR C N   
2153 C CA  . THR C 52  ? 0.2384 0.4687 0.2507 -0.0031 0.0411  -0.0173 66  THR C CA  
2154 C C   . THR C 52  ? 0.2617 0.4839 0.2569 -0.0129 0.0475  -0.0236 66  THR C C   
2155 O O   . THR C 52  ? 0.3099 0.5099 0.2827 -0.0350 0.0879  -0.0286 66  THR C O   
2156 C CB  . THR C 52  ? 0.2612 0.4689 0.2998 -0.0090 0.0545  -0.0019 66  THR C CB  
2157 O OG1 . THR C 52  ? 0.2549 0.4792 0.3042 -0.0328 0.0037  -0.0049 66  THR C OG1 
2158 C CG2 . THR C 52  ? 0.2194 0.4608 0.2932 0.0078  0.0590  0.0272  66  THR C CG2 
2159 N N   . ASP C 53  ? 0.2111 0.4793 0.2421 -0.0190 0.0278  -0.0246 67  ASP C N   
2160 C CA  . ASP C 53  ? 0.2197 0.4867 0.2927 0.0244  0.0531  -0.0290 67  ASP C CA  
2161 C C   . ASP C 53  ? 0.2232 0.5008 0.2877 0.0208  0.0797  -0.0222 67  ASP C C   
2162 O O   . ASP C 53  ? 0.3037 0.5326 0.3036 0.0262  0.0488  -0.0264 67  ASP C O   
2163 C CB  . ASP C 53  ? 0.2594 0.4806 0.3594 0.0346  0.0749  -0.0429 67  ASP C CB  
2164 C CG  . ASP C 53  ? 0.3000 0.4772 0.4236 0.0611  0.0579  -0.0572 67  ASP C CG  
2165 O OD1 . ASP C 53  ? 0.2856 0.4865 0.3707 0.0625  0.0676  -0.0789 67  ASP C OD1 
2166 O OD2 . ASP C 53  ? 0.3598 0.4783 0.5184 0.0754  0.0186  -0.0328 67  ASP C OD2 
2167 N N   . GLY C 54  ? 0.1887 0.4769 0.3055 -0.0171 0.0439  0.0075  68  GLY C N   
2168 C CA  . GLY C 54  ? 0.1769 0.4644 0.3076 -0.0320 0.0309  0.0117  68  GLY C CA  
2169 C C   . GLY C 54  ? 0.1771 0.4367 0.2983 -0.0297 0.0264  0.0089  68  GLY C C   
2170 O O   . GLY C 54  ? 0.2363 0.4462 0.3340 -0.0778 0.0235  0.0018  68  GLY C O   
2171 N N   . SER C 55  ? 0.1616 0.3995 0.2817 0.0104  0.0633  -0.0102 69  SER C N   
2172 C CA  . SER C 55  ? 0.1777 0.3726 0.2610 0.0042  0.0674  -0.0242 69  SER C CA  
2173 C C   . SER C 55  ? 0.1723 0.3384 0.2554 -0.0039 0.0445  -0.0474 69  SER C C   
2174 O O   . SER C 55  ? 0.2042 0.3474 0.2579 -0.0327 0.0256  -0.0561 69  SER C O   
2175 C CB  . SER C 55  ? 0.2466 0.3722 0.3069 0.0299  0.1095  -0.0077 69  SER C CB  
2176 O OG  . SER C 55  ? 0.3209 0.3950 0.3588 0.0266  0.0923  0.0030  69  SER C OG  
2177 N N   . GLY C 56  ? 0.1761 0.3256 0.2245 -0.0034 0.0528  -0.0597 70  GLY C N   
2178 C CA  . GLY C 56  ? 0.1819 0.3216 0.1743 0.0159  0.0297  -0.0610 70  GLY C CA  
2179 C C   . GLY C 56  ? 0.1930 0.2914 0.1685 -0.0196 0.0320  -0.0275 70  GLY C C   
2180 O O   . GLY C 56  ? 0.2099 0.2789 0.1970 -0.0581 0.0155  -0.0525 70  GLY C O   
2181 N N   . THR C 57  ? 0.2143 0.2688 0.1715 -0.0417 0.0510  -0.0166 71  THR C N   
2182 C CA  . THR C 57  ? 0.2133 0.2512 0.1882 -0.0625 0.0436  -0.0176 71  THR C CA  
2183 C C   . THR C 57  ? 0.1571 0.2300 0.1949 -0.0440 0.0152  -0.0182 71  THR C C   
2184 O O   . THR C 57  ? 0.1922 0.2058 0.2073 -0.0459 0.0082  -0.0185 71  THR C O   
2185 C CB  . THR C 57  ? 0.2323 0.2610 0.2017 -0.0534 0.0583  -0.0395 71  THR C CB  
2186 O OG1 . THR C 57  ? 0.2319 0.2723 0.2101 -0.0467 0.0245  -0.0712 71  THR C OG1 
2187 C CG2 . THR C 57  ? 0.2634 0.2614 0.2003 -0.0512 0.0390  -0.0334 71  THR C CG2 
2188 N N   . ALA C 58  ? 0.1866 0.2142 0.1733 -0.0479 0.0357  -0.0111 72  ALA C N   
2189 C CA  . ALA C 58  ? 0.1830 0.1924 0.1709 -0.0825 0.0353  0.0020  72  ALA C CA  
2190 C C   . ALA C 58  ? 0.1693 0.1952 0.1826 -0.0311 0.0321  -0.0335 72  ALA C C   
2191 O O   . ALA C 58  ? 0.1867 0.2154 0.2043 -0.0036 -0.0049 -0.0480 72  ALA C O   
2192 C CB  . ALA C 58  ? 0.1776 0.2099 0.1879 -0.0638 0.0313  0.0408  72  ALA C CB  
2193 N N   A LEU C 59  ? 0.1607 0.1864 0.1857 -0.0047 0.0277  -0.0035 73  LEU C N   
2194 N N   B LEU C 59  ? 0.1713 0.1838 0.1869 -0.0104 0.0416  -0.0088 73  LEU C N   
2195 C CA  A LEU C 59  ? 0.1685 0.1780 0.1824 -0.0134 0.0200  -0.0094 73  LEU C CA  
2196 C CA  B LEU C 59  ? 0.1794 0.1744 0.1938 -0.0283 0.0335  -0.0328 73  LEU C CA  
2197 C C   A LEU C 59  ? 0.1721 0.1857 0.1865 0.0246  0.0123  -0.0079 73  LEU C C   
2198 C C   B LEU C 59  ? 0.1701 0.1893 0.1778 -0.0031 0.0353  -0.0373 73  LEU C C   
2199 O O   A LEU C 59  ? 0.1732 0.1729 0.2107 0.0424  -0.0099 0.0085  73  LEU C O   
2200 O O   B LEU C 59  ? 0.1580 0.1785 0.1756 -0.0158 0.0154  -0.0426 73  LEU C O   
2201 C CB  A LEU C 59  ? 0.2028 0.1829 0.1612 -0.0035 -0.0105 0.0036  73  LEU C CB  
2202 C CB  B LEU C 59  ? 0.2351 0.1780 0.2075 -0.0041 0.0115  -0.0248 73  LEU C CB  
2203 C CG  A LEU C 59  ? 0.2020 0.1976 0.1590 -0.0141 0.0294  -0.0084 73  LEU C CG  
2204 C CG  B LEU C 59  ? 0.2608 0.1974 0.2482 0.0047  0.0471  -0.0338 73  LEU C CG  
2205 C CD1 A LEU C 59  ? 0.1899 0.2064 0.1403 -0.0177 -0.0227 0.0132  73  LEU C CD1 
2206 C CD1 B LEU C 59  ? 0.2079 0.1898 0.2317 0.0122  0.0653  -0.0566 73  LEU C CD1 
2207 C CD2 A LEU C 59  ? 0.2007 0.1928 0.1553 -0.0425 0.0548  0.0036  73  LEU C CD2 
2208 C CD2 B LEU C 59  ? 0.2559 0.2125 0.2623 0.0069  0.0608  -0.0396 73  LEU C CD2 
2209 N N   . GLY C 60  ? 0.1396 0.2049 0.1814 0.0100  0.0163  -0.0271 74  GLY C N   
2210 C CA  . GLY C 60  ? 0.1574 0.2062 0.1846 -0.0152 0.0384  -0.0351 74  GLY C CA  
2211 C C   . GLY C 60  ? 0.1647 0.1823 0.1550 0.0063  0.0055  -0.0197 74  GLY C C   
2212 O O   . GLY C 60  ? 0.1696 0.1745 0.1610 -0.0061 0.0116  -0.0202 74  GLY C O   
2213 N N   . TRP C 61  ? 0.1720 0.1700 0.1733 0.0113  -0.0176 -0.0156 75  TRP C N   
2214 C CA  . TRP C 61  ? 0.1598 0.1375 0.1630 0.0340  0.0192  0.0007  75  TRP C CA  
2215 C C   . TRP C 61  ? 0.1531 0.1379 0.1266 0.0114  -0.0058 -0.0362 75  TRP C C   
2216 O O   . TRP C 61  ? 0.1759 0.1407 0.1466 0.0194  0.0029  -0.0309 75  TRP C O   
2217 C CB  . TRP C 61  ? 0.1939 0.1051 0.1461 0.0194  0.0097  0.0117  75  TRP C CB  
2218 C CG  . TRP C 61  ? 0.1831 0.1173 0.1583 0.0022  -0.0084 0.0009  75  TRP C CG  
2219 C CD1 . TRP C 61  ? 0.2185 0.1486 0.1626 -0.0256 -0.0108 0.0135  75  TRP C CD1 
2220 C CD2 . TRP C 61  ? 0.2170 0.1298 0.1503 -0.0236 0.0206  -0.0076 75  TRP C CD2 
2221 N NE1 . TRP C 61  ? 0.2049 0.1563 0.1526 -0.0162 0.0278  0.0213  75  TRP C NE1 
2222 C CE2 . TRP C 61  ? 0.2010 0.1581 0.1569 0.0044  0.0640  -0.0136 75  TRP C CE2 
2223 C CE3 . TRP C 61  ? 0.2557 0.1531 0.1641 -0.0605 0.0520  -0.0338 75  TRP C CE3 
2224 C CZ2 . TRP C 61  ? 0.2231 0.1650 0.2010 -0.0429 0.0532  -0.0243 75  TRP C CZ2 
2225 C CZ3 . TRP C 61  ? 0.2626 0.1532 0.1833 -0.0596 0.0366  -0.0164 75  TRP C CZ3 
2226 C CH2 . TRP C 61  ? 0.2493 0.1628 0.1716 -0.0402 0.0585  -0.0139 75  TRP C CH2 
2227 N N   . THR C 62  ? 0.1342 0.1519 0.1644 0.0187  0.0198  -0.0067 76  THR C N   
2228 C CA  . THR C 62  ? 0.1303 0.1493 0.1620 0.0242  0.0108  -0.0038 76  THR C CA  
2229 C C   . THR C 62  ? 0.1669 0.1398 0.1441 0.0273  -0.0316 -0.0257 76  THR C C   
2230 O O   . THR C 62  ? 0.1847 0.1684 0.1629 -0.0003 -0.0123 -0.0599 76  THR C O   
2231 C CB  . THR C 62  ? 0.1559 0.1640 0.1567 0.0177  0.0215  -0.0032 76  THR C CB  
2232 O OG1 . THR C 62  ? 0.1658 0.1522 0.1733 0.0223  0.0129  -0.0264 76  THR C OG1 
2233 C CG2 . THR C 62  ? 0.1344 0.1853 0.1750 -0.0076 -0.0079 -0.0020 76  THR C CG2 
2234 N N   . VAL C 63  ? 0.1958 0.1261 0.1547 0.0210  0.0033  -0.0077 77  VAL C N   
2235 C CA  . VAL C 63  ? 0.1875 0.1393 0.1646 0.0442  0.0066  0.0166  77  VAL C CA  
2236 C C   . VAL C 63  ? 0.1691 0.1350 0.1852 0.0165  0.0181  0.0016  77  VAL C C   
2237 O O   . VAL C 63  ? 0.1488 0.1388 0.1869 -0.0091 0.0037  -0.0346 77  VAL C O   
2238 C CB  . VAL C 63  ? 0.2137 0.1393 0.1742 0.0330  0.0033  0.0217  77  VAL C CB  
2239 C CG1 . VAL C 63  ? 0.1990 0.1273 0.2063 0.0497  -0.0046 0.0146  77  VAL C CG1 
2240 C CG2 . VAL C 63  ? 0.2565 0.1438 0.1654 -0.0056 0.0428  0.0050  77  VAL C CG2 
2241 N N   . ALA C 64  ? 0.1092 0.1478 0.1904 0.0133  0.0151  -0.0057 78  ALA C N   
2242 C CA  . ALA C 64  ? 0.1477 0.1610 0.1670 0.0199  0.0411  0.0203  78  ALA C CA  
2243 C C   . ALA C 64  ? 0.1731 0.1811 0.2135 0.0387  -0.0094 0.0018  78  ALA C C   
2244 O O   . ALA C 64  ? 0.2124 0.1555 0.2452 0.0542  -0.0089 -0.0055 78  ALA C O   
2245 C CB  . ALA C 64  ? 0.1928 0.2100 0.1508 0.0143  0.0554  0.0014  78  ALA C CB  
2246 N N   . TRP C 65  ? 0.1690 0.2049 0.1989 0.0462  -0.0113 -0.0016 79  TRP C N   
2247 C CA  . TRP C 65  ? 0.1905 0.2074 0.1822 0.0565  -0.0141 -0.0143 79  TRP C CA  
2248 C C   . TRP C 65  ? 0.1826 0.2138 0.2031 0.0548  -0.0468 -0.0355 79  TRP C C   
2249 O O   . TRP C 65  ? 0.2071 0.2365 0.2059 0.0547  -0.0438 -0.0276 79  TRP C O   
2250 C CB  . TRP C 65  ? 0.2154 0.2142 0.1656 0.0677  -0.0010 -0.0318 79  TRP C CB  
2251 C CG  . TRP C 65  ? 0.2152 0.1952 0.1550 0.0633  0.0114  0.0025  79  TRP C CG  
2252 C CD1 . TRP C 65  ? 0.2219 0.2063 0.1597 0.0351  -0.0015 -0.0094 79  TRP C CD1 
2253 C CD2 . TRP C 65  ? 0.2369 0.1625 0.1524 0.0350  0.0033  0.0124  79  TRP C CD2 
2254 N NE1 . TRP C 65  ? 0.2114 0.1857 0.1472 0.0576  0.0004  0.0112  79  TRP C NE1 
2255 C CE2 . TRP C 65  ? 0.2327 0.1846 0.1525 0.0177  -0.0105 0.0109  79  TRP C CE2 
2256 C CE3 . TRP C 65  ? 0.2778 0.1643 0.1465 0.0440  0.0089  0.0227  79  TRP C CE3 
2257 C CZ2 . TRP C 65  ? 0.2248 0.1943 0.1796 0.0554  -0.0408 0.0097  79  TRP C CZ2 
2258 C CZ3 . TRP C 65  ? 0.2725 0.1750 0.1923 0.0586  0.0342  0.0291  79  TRP C CZ3 
2259 C CH2 . TRP C 65  ? 0.2748 0.2067 0.2030 0.0695  0.0058  0.0237  79  TRP C CH2 
2260 N N   . LYS C 66  ? 0.1961 0.1996 0.2116 0.0669  -0.0112 -0.0226 80  LYS C N   
2261 C CA  . LYS C 66  ? 0.2186 0.2065 0.2057 0.0501  0.0162  -0.0103 80  LYS C CA  
2262 C C   . LYS C 66  ? 0.2170 0.1951 0.2040 0.0589  -0.0258 0.0066  80  LYS C C   
2263 O O   . LYS C 66  ? 0.2051 0.2013 0.2320 0.0509  -0.0076 -0.0027 80  LYS C O   
2264 C CB  . LYS C 66  ? 0.2361 0.2176 0.1930 0.0382  0.0245  0.0004  80  LYS C CB  
2265 C CG  . LYS C 66  ? 0.2781 0.2477 0.2169 0.0693  0.0589  0.0058  80  LYS C CG  
2266 C CD  . LYS C 66  ? 0.2935 0.2689 0.2634 0.0529  0.0783  0.0002  80  LYS C CD  
2267 C CE  . LYS C 66  ? 0.3243 0.2757 0.3159 0.0369  0.0578  -0.0130 80  LYS C CE  
2268 N NZ  . LYS C 66  ? 0.4495 0.2888 0.4049 0.0718  0.1507  -0.0051 80  LYS C NZ  
2269 N N   . ASN C 67  ? 0.2517 0.2031 0.2226 0.0465  -0.0184 -0.0255 81  ASN C N   
2270 C CA  . ASN C 67  ? 0.2855 0.2200 0.2784 0.0639  0.0100  -0.0475 81  ASN C CA  
2271 C C   . ASN C 67  ? 0.2848 0.2527 0.3585 0.0773  0.0352  -0.0730 81  ASN C C   
2272 O O   . ASN C 67  ? 0.3243 0.2787 0.4110 0.0826  0.0763  -0.0686 81  ASN C O   
2273 C CB  . ASN C 67  ? 0.3341 0.2244 0.2682 0.0783  0.0094  -0.0276 81  ASN C CB  
2274 C CG  . ASN C 67  ? 0.3299 0.2296 0.2864 0.0723  -0.0373 -0.0383 81  ASN C CG  
2275 O OD1 . ASN C 67  ? 0.3306 0.2245 0.2878 0.0932  -0.0570 -0.0029 81  ASN C OD1 
2276 N ND2 . ASN C 67  ? 0.3056 0.2229 0.2922 0.0290  -0.0412 -0.0392 81  ASN C ND2 
2277 N N   . ASN C 68  ? 0.2889 0.2620 0.3994 0.0758  -0.0062 -0.0942 82  ASN C N   
2278 C CA  . ASN C 68  ? 0.3189 0.2814 0.4833 0.0717  -0.0063 -0.0974 82  ASN C CA  
2279 C C   . ASN C 68  ? 0.3138 0.3054 0.5611 0.1096  -0.0012 -0.0919 82  ASN C C   
2280 O O   . ASN C 68  ? 0.2873 0.3451 0.6061 0.0909  0.0314  -0.1148 82  ASN C O   
2281 C CB  . ASN C 68  ? 0.4204 0.2832 0.5104 0.0607  0.0599  -0.0887 82  ASN C CB  
2282 C CG  . ASN C 68  ? 0.5046 0.2929 0.5238 0.0416  0.1147  -0.0788 82  ASN C CG  
2283 O OD1 . ASN C 68  ? 0.5715 0.3215 0.5095 0.0343  0.1504  -0.0707 82  ASN C OD1 
2284 N ND2 . ASN C 68  ? 0.4958 0.2869 0.5459 0.0177  0.1298  -0.0675 82  ASN C ND2 
2285 N N   . TYR C 69  ? 0.3203 0.3030 0.5610 0.1217  -0.0870 -0.0604 83  TYR C N   
2286 C CA  . TYR C 69  ? 0.3669 0.3052 0.5647 0.1191  -0.1097 -0.0424 83  TYR C CA  
2287 C C   . TYR C 69  ? 0.3370 0.3082 0.5433 0.1282  -0.0937 -0.0252 83  TYR C C   
2288 O O   . TYR C 69  ? 0.3185 0.3277 0.5671 0.1306  -0.1115 -0.0132 83  TYR C O   
2289 C CB  . TYR C 69  ? 0.4289 0.3228 0.5839 0.1278  -0.1058 -0.0296 83  TYR C CB  
2290 C CG  . TYR C 69  ? 0.4893 0.3258 0.6142 0.1134  -0.1043 -0.0212 83  TYR C CG  
2291 C CD1 . TYR C 69  ? 0.5223 0.3389 0.6283 0.1114  -0.1002 -0.0298 83  TYR C CD1 
2292 C CD2 . TYR C 69  ? 0.5304 0.3291 0.6262 0.1203  -0.0959 -0.0100 83  TYR C CD2 
2293 C CE1 . TYR C 69  ? 0.5529 0.3529 0.6336 0.1060  -0.0934 -0.0354 83  TYR C CE1 
2294 C CE2 . TYR C 69  ? 0.5516 0.3456 0.6236 0.1068  -0.0979 -0.0254 83  TYR C CE2 
2295 C CZ  . TYR C 69  ? 0.5662 0.3587 0.6369 0.1000  -0.0667 -0.0336 83  TYR C CZ  
2296 O OH  . TYR C 69  ? 0.5934 0.3617 0.6498 0.1157  -0.0273 -0.0377 83  TYR C OH  
2297 N N   . ARG C 70  ? 0.3416 0.2894 0.4891 0.1447  -0.0871 0.0035  84  ARG C N   
2298 C CA  . ARG C 70  ? 0.3586 0.2862 0.4354 0.1323  -0.0928 0.0005  84  ARG C CA  
2299 C C   . ARG C 70  ? 0.2941 0.2460 0.3666 0.1030  -0.0952 -0.0112 84  ARG C C   
2300 O O   . ARG C 70  ? 0.2592 0.2363 0.3791 0.0889  -0.0779 -0.0442 84  ARG C O   
2301 C CB  . ARG C 70  ? 0.4626 0.3290 0.4395 0.1332  -0.0900 0.0023  84  ARG C CB  
2302 C CG  . ARG C 70  ? 0.5702 0.3765 0.4863 0.1018  -0.0631 -0.0288 84  ARG C CG  
2303 C CD  . ARG C 70  ? 0.6790 0.4287 0.5504 0.0742  -0.0403 -0.0535 84  ARG C CD  
2304 N NE  . ARG C 70  ? 0.7474 0.4715 0.5972 0.0634  -0.0142 -0.0558 84  ARG C NE  
2305 C CZ  . ARG C 70  ? 0.7804 0.5003 0.6280 0.0467  -0.0012 -0.0524 84  ARG C CZ  
2306 N NH1 . ARG C 70  ? 0.7801 0.5147 0.6289 0.0399  0.0012  -0.0436 84  ARG C NH1 
2307 N NH2 . ARG C 70  ? 0.7924 0.5083 0.6491 0.0539  0.0076  -0.0516 84  ARG C NH2 
2308 N N   . ASN C 71  ? 0.2802 0.2498 0.3387 0.0642  -0.0706 -0.0148 85  ASN C N   
2309 C CA  . ASN C 71  ? 0.2781 0.2446 0.2746 0.0589  -0.0704 -0.0138 85  ASN C CA  
2310 C C   . ASN C 71  ? 0.2562 0.2561 0.2752 0.0503  -0.0675 -0.0211 85  ASN C C   
2311 O O   . ASN C 71  ? 0.2820 0.2815 0.2867 0.0637  -0.0523 -0.0270 85  ASN C O   
2312 C CB  . ASN C 71  ? 0.2501 0.2356 0.2531 0.0519  -0.0262 -0.0356 85  ASN C CB  
2313 C CG  . ASN C 71  ? 0.2430 0.2160 0.2373 0.0539  -0.0092 -0.0343 85  ASN C CG  
2314 O OD1 . ASN C 71  ? 0.2393 0.2215 0.2156 0.0756  -0.0102 -0.0317 85  ASN C OD1 
2315 N ND2 . ASN C 71  ? 0.2217 0.2262 0.2517 0.0332  -0.0228 -0.0425 85  ASN C ND2 
2316 N N   . ALA C 72  ? 0.2684 0.2531 0.2369 0.0485  -0.0484 0.0085  86  ALA C N   
2317 C CA  . ALA C 72  ? 0.2661 0.2589 0.2404 0.0409  -0.0314 0.0119  86  ALA C CA  
2318 C C   . ALA C 72  ? 0.2193 0.2481 0.2248 0.0589  -0.0410 0.0018  86  ALA C C   
2319 O O   . ALA C 72  ? 0.2292 0.2530 0.2422 0.0258  -0.0504 -0.0135 86  ALA C O   
2320 C CB  . ALA C 72  ? 0.2186 0.2593 0.2546 0.0283  -0.0532 0.0416  86  ALA C CB  
2321 N N   . HIS C 73  ? 0.1789 0.2420 0.1902 0.0836  -0.0203 0.0086  87  HIS C N   
2322 C CA  . HIS C 73  ? 0.1517 0.2314 0.2108 0.0477  0.0046  0.0031  87  HIS C CA  
2323 C C   . HIS C 73  ? 0.1780 0.2129 0.2015 0.0345  0.0043  -0.0082 87  HIS C C   
2324 O O   . HIS C 73  ? 0.1550 0.1723 0.2166 0.0328  -0.0045 -0.0221 87  HIS C O   
2325 C CB  . HIS C 73  ? 0.1482 0.2682 0.2310 0.0710  0.0086  -0.0086 87  HIS C CB  
2326 C CG  . HIS C 73  ? 0.1344 0.2973 0.2277 0.0920  -0.0326 -0.0598 87  HIS C CG  
2327 N ND1 . HIS C 73  ? 0.1680 0.3019 0.2184 0.0771  -0.0183 -0.0733 87  HIS C ND1 
2328 C CD2 . HIS C 73  ? 0.1548 0.3151 0.2717 0.1074  -0.0008 -0.0547 87  HIS C CD2 
2329 C CE1 . HIS C 73  ? 0.1692 0.3213 0.2432 0.0733  -0.0513 -0.0376 87  HIS C CE1 
2330 N NE2 . HIS C 73  ? 0.1766 0.3357 0.2337 0.0898  -0.0025 -0.0509 87  HIS C NE2 
2331 N N   . SER C 74  ? 0.1539 0.2038 0.1742 0.0413  0.0018  0.0138  88  SER C N   
2332 C CA  . SER C 74  ? 0.1375 0.2144 0.1712 0.0439  -0.0202 0.0138  88  SER C CA  
2333 C C   . SER C 74  ? 0.1476 0.2083 0.1534 0.0293  -0.0076 0.0072  88  SER C C   
2334 O O   . SER C 74  ? 0.1753 0.1912 0.1849 0.0497  -0.0217 -0.0188 88  SER C O   
2335 C CB  . SER C 74  ? 0.1868 0.2025 0.1705 0.0597  -0.0141 0.0287  88  SER C CB  
2336 O OG  . SER C 74  ? 0.2376 0.2119 0.2106 0.0397  -0.0621 0.0284  88  SER C OG  
2337 N N   . ALA C 75  ? 0.1477 0.2106 0.1373 0.0369  -0.0131 0.0054  89  ALA C N   
2338 C CA  . ALA C 75  ? 0.0885 0.2293 0.1504 0.0400  -0.0234 0.0199  89  ALA C CA  
2339 C C   . ALA C 75  ? 0.1403 0.2040 0.1601 0.0150  0.0074  -0.0031 89  ALA C C   
2340 O O   . ALA C 75  ? 0.1788 0.1650 0.1566 -0.0243 0.0098  0.0001  89  ALA C O   
2341 C CB  . ALA C 75  ? 0.1943 0.2545 0.1287 0.0099  -0.0069 0.0084  89  ALA C CB  
2342 N N   . THR C 76  ? 0.1454 0.1764 0.1430 0.0302  0.0011  -0.0058 90  THR C N   
2343 C CA  . THR C 76  ? 0.1556 0.1731 0.1244 0.0191  0.0175  0.0256  90  THR C CA  
2344 C C   . THR C 76  ? 0.1581 0.1487 0.1472 0.0175  0.0048  0.0160  90  THR C C   
2345 O O   . THR C 76  ? 0.1960 0.1647 0.1465 -0.0077 0.0127  -0.0280 90  THR C O   
2346 C CB  . THR C 76  ? 0.1768 0.1826 0.1360 0.0238  -0.0012 0.0142  90  THR C CB  
2347 O OG1 . THR C 76  ? 0.1710 0.1932 0.1787 0.0034  -0.0245 -0.0089 90  THR C OG1 
2348 C CG2 . THR C 76  ? 0.2196 0.1845 0.1594 0.0143  0.0004  0.0278  90  THR C CG2 
2349 N N   . THR C 77  ? 0.1577 0.1103 0.1763 -0.0007 0.0131  0.0258  91  THR C N   
2350 C CA  . THR C 77  ? 0.1284 0.1303 0.1754 -0.0171 -0.0041 0.0039  91  THR C CA  
2351 C C   . THR C 77  ? 0.1796 0.1479 0.1493 -0.0186 0.0110  -0.0255 91  THR C C   
2352 O O   . THR C 77  ? 0.1920 0.1802 0.1519 -0.0282 0.0237  -0.0349 91  THR C O   
2353 C CB  . THR C 77  ? 0.2015 0.1405 0.1622 0.0119  -0.0111 -0.0064 91  THR C CB  
2354 O OG1 . THR C 77  ? 0.2237 0.1625 0.1936 0.0139  0.0257  -0.0224 91  THR C OG1 
2355 C CG2 . THR C 77  ? 0.2146 0.1642 0.1465 0.0123  0.0178  -0.0003 91  THR C CG2 
2356 N N   . TRP C 78  ? 0.1372 0.1335 0.1668 -0.0107 0.0055  -0.0155 92  TRP C N   
2357 C CA  . TRP C 78  ? 0.1423 0.0984 0.1901 0.0033  0.0260  -0.0153 92  TRP C CA  
2358 C C   . TRP C 78  ? 0.1641 0.1147 0.1721 -0.0094 0.0090  -0.0466 92  TRP C C   
2359 O O   . TRP C 78  ? 0.1592 0.1444 0.1930 -0.0030 0.0142  -0.0384 92  TRP C O   
2360 C CB  . TRP C 78  ? 0.1741 0.0722 0.1814 -0.0242 0.0194  -0.0212 92  TRP C CB  
2361 C CG  . TRP C 78  ? 0.1992 0.1094 0.1757 -0.0002 0.0080  0.0175  92  TRP C CG  
2362 C CD1 . TRP C 78  ? 0.2034 0.1309 0.1827 -0.0022 0.0186  0.0104  92  TRP C CD1 
2363 C CD2 . TRP C 78  ? 0.1385 0.1272 0.1354 0.0120  -0.0125 0.0122  92  TRP C CD2 
2364 N NE1 . TRP C 78  ? 0.1730 0.1182 0.1881 -0.0024 0.0129  -0.0140 92  TRP C NE1 
2365 C CE2 . TRP C 78  ? 0.1434 0.1244 0.1889 -0.0117 0.0054  0.0010  92  TRP C CE2 
2366 C CE3 . TRP C 78  ? 0.1367 0.1327 0.1642 0.0034  -0.0120 -0.0239 92  TRP C CE3 
2367 C CZ2 . TRP C 78  ? 0.1942 0.1305 0.2149 -0.0267 0.0178  0.0135  92  TRP C CZ2 
2368 C CZ3 . TRP C 78  ? 0.1603 0.1424 0.1972 -0.0067 -0.0366 0.0178  92  TRP C CZ3 
2369 C CH2 . TRP C 78  ? 0.2001 0.1428 0.2024 -0.0048 0.0040  0.0174  92  TRP C CH2 
2370 N N   . SER C 79  ? 0.1511 0.1326 0.1945 0.0134  0.0132  -0.0095 93  SER C N   
2371 C CA  . SER C 79  ? 0.1332 0.1455 0.2023 -0.0136 0.0510  0.0051  93  SER C CA  
2372 C C   . SER C 79  ? 0.1288 0.1580 0.2006 -0.0188 0.0244  -0.0079 93  SER C C   
2373 O O   . SER C 79  ? 0.1825 0.1986 0.1728 -0.0410 0.0015  -0.0277 93  SER C O   
2374 C CB  . SER C 79  ? 0.1359 0.1871 0.2425 -0.0100 0.0209  0.0264  93  SER C CB  
2375 O OG  . SER C 79  ? 0.1264 0.2258 0.2435 0.0104  0.0401  0.0187  93  SER C OG  
2376 N N   . GLY C 80  ? 0.1143 0.1636 0.1773 -0.0232 0.0163  0.0200  94  GLY C N   
2377 C CA  . GLY C 80  ? 0.1274 0.1701 0.1756 -0.0508 0.0573  0.0003  94  GLY C CA  
2378 C C   . GLY C 80  ? 0.1410 0.2035 0.1870 -0.0398 0.0632  0.0070  94  GLY C C   
2379 O O   . GLY C 80  ? 0.1753 0.2221 0.1744 -0.0313 0.0273  -0.0230 94  GLY C O   
2380 N N   . GLN C 81  ? 0.1617 0.2189 0.1882 -0.0194 0.0343  0.0115  95  GLN C N   
2381 C CA  . GLN C 81  ? 0.1285 0.2325 0.1979 -0.0496 0.0310  -0.0083 95  GLN C CA  
2382 C C   . GLN C 81  ? 0.1776 0.2329 0.1994 -0.0546 0.0172  -0.0093 95  GLN C C   
2383 O O   . GLN C 81  ? 0.1723 0.2182 0.2493 -0.0615 0.0108  0.0081  95  GLN C O   
2384 C CB  . GLN C 81  ? 0.1569 0.2702 0.2073 -0.0155 -0.0059 -0.0375 95  GLN C CB  
2385 C CG  . GLN C 81  ? 0.1705 0.2966 0.2377 -0.0311 0.0259  -0.0376 95  GLN C CG  
2386 C CD  . GLN C 81  ? 0.1920 0.2863 0.2325 -0.0455 0.0000  -0.0674 95  GLN C CD  
2387 O OE1 . GLN C 81  ? 0.2286 0.2849 0.2233 -0.0529 0.0399  -0.0681 95  GLN C OE1 
2388 N NE2 . GLN C 81  ? 0.2408 0.2974 0.2645 -0.0616 0.0068  -0.0969 95  GLN C NE2 
2389 N N   . TYR C 82  ? 0.1778 0.2487 0.2146 -0.0577 0.0246  0.0051  96  TYR C N   
2390 C CA  . TYR C 82  ? 0.1775 0.2505 0.2012 -0.0533 0.0326  -0.0133 96  TYR C CA  
2391 C C   . TYR C 82  ? 0.2060 0.2608 0.2214 -0.0346 0.0454  0.0092  96  TYR C C   
2392 O O   . TYR C 82  ? 0.2233 0.2402 0.2129 -0.0585 0.0475  0.0263  96  TYR C O   
2393 C CB  . TYR C 82  ? 0.2015 0.2395 0.2000 -0.0815 -0.0073 0.0023  96  TYR C CB  
2394 C CG  . TYR C 82  ? 0.2355 0.2638 0.2277 -0.0805 -0.0197 0.0060  96  TYR C CG  
2395 C CD1 . TYR C 82  ? 0.2282 0.2635 0.2529 -0.0928 -0.0114 0.0331  96  TYR C CD1 
2396 C CD2 . TYR C 82  ? 0.2027 0.2810 0.2668 -0.1018 -0.0065 0.0066  96  TYR C CD2 
2397 C CE1 . TYR C 82  ? 0.2663 0.2835 0.2769 -0.1235 0.0045  0.0101  96  TYR C CE1 
2398 C CE2 . TYR C 82  ? 0.2449 0.3077 0.2982 -0.1191 -0.0058 0.0011  96  TYR C CE2 
2399 C CZ  . TYR C 82  ? 0.2846 0.3077 0.2876 -0.1436 -0.0064 0.0038  96  TYR C CZ  
2400 O OH  . TYR C 82  ? 0.3522 0.3461 0.3088 -0.1624 0.0003  0.0064  96  TYR C OH  
2401 N N   . VAL C 83  ? 0.2317 0.2815 0.2245 -0.0275 0.0881  -0.0024 97  VAL C N   
2402 C CA  . VAL C 83  ? 0.3129 0.3225 0.2682 -0.0260 0.0924  0.0276  97  VAL C CA  
2403 C C   . VAL C 83  ? 0.3190 0.3561 0.2988 -0.0842 0.0516  0.0640  97  VAL C C   
2404 O O   . VAL C 83  ? 0.3252 0.3452 0.3389 -0.1150 0.0339  0.0946  97  VAL C O   
2405 C CB  . VAL C 83  ? 0.3429 0.3253 0.3213 0.0044  0.1322  -0.0008 97  VAL C CB  
2406 C CG1 . VAL C 83  ? 0.3419 0.3329 0.3598 0.0317  0.1700  0.0054  97  VAL C CG1 
2407 C CG2 . VAL C 83  ? 0.3915 0.3162 0.3014 0.0287  0.0918  -0.0115 97  VAL C CG2 
2408 N N   . GLY C 84  ? 0.3472 0.4066 0.3130 -0.0887 0.0368  0.0771  98  GLY C N   
2409 C CA  . GLY C 84  ? 0.3842 0.4512 0.3288 -0.1208 0.0197  0.0868  98  GLY C CA  
2410 C C   . GLY C 84  ? 0.4189 0.4886 0.3791 -0.1376 0.0763  0.0775  98  GLY C C   
2411 O O   . GLY C 84  ? 0.4444 0.5013 0.4042 -0.1507 0.0809  0.0677  98  GLY C O   
2412 N N   . GLY C 85  ? 0.5102 0.4983 0.4081 -0.1401 0.1334  0.1118  99  GLY C N   
2413 C CA  . GLY C 85  ? 0.5289 0.5103 0.4431 -0.1514 0.1577  0.1113  99  GLY C CA  
2414 C C   . GLY C 85  ? 0.5389 0.5265 0.4919 -0.1341 0.1220  0.0967  99  GLY C C   
2415 O O   . GLY C 85  ? 0.5259 0.5324 0.4919 -0.1334 0.1121  0.1058  99  GLY C O   
2416 N N   . ALA C 86  ? 0.5411 0.5317 0.4983 -0.1367 0.1173  0.0826  100 ALA C N   
2417 C CA  . ALA C 86  ? 0.5653 0.5422 0.5268 -0.1198 0.1028  0.0702  100 ALA C CA  
2418 C C   . ALA C 86  ? 0.5768 0.5506 0.5595 -0.1063 0.0868  0.0622  100 ALA C C   
2419 O O   . ALA C 86  ? 0.5873 0.5526 0.5953 -0.0922 0.0574  0.0692  100 ALA C O   
2420 C CB  . ALA C 86  ? 0.5774 0.5431 0.5252 -0.1163 0.1098  0.0602  100 ALA C CB  
2421 N N   . GLU C 87  ? 0.5742 0.5527 0.5421 -0.1068 0.0959  0.0714  101 GLU C N   
2422 C CA  . GLU C 87  ? 0.5109 0.5415 0.5112 -0.1290 0.0775  0.0892  101 GLU C CA  
2423 C C   . GLU C 87  ? 0.4382 0.5071 0.4206 -0.1409 0.0697  0.1055  101 GLU C C   
2424 O O   . GLU C 87  ? 0.4048 0.5189 0.3967 -0.1350 0.0363  0.1341  101 GLU C O   
2425 C CB  . GLU C 87  ? 0.5394 0.5743 0.5758 -0.0906 0.0612  0.0677  101 GLU C CB  
2426 C CG  . GLU C 87  ? 0.5835 0.6036 0.6318 -0.0527 0.0415  0.0696  101 GLU C CG  
2427 C CD  . GLU C 87  ? 0.6296 0.6262 0.6860 -0.0142 0.0366  0.0951  101 GLU C CD  
2428 O OE1 . GLU C 87  ? 0.6561 0.6399 0.7025 0.0010  0.0152  0.0984  101 GLU C OE1 
2429 O OE2 . GLU C 87  ? 0.6539 0.6322 0.7130 -0.0046 0.0611  0.1186  101 GLU C OE2 
2430 N N   . ALA C 88  ? 0.4046 0.4654 0.3903 -0.1326 0.0471  0.0864  102 ALA C N   
2431 C CA  . ALA C 88  ? 0.3324 0.4209 0.3340 -0.1279 0.0497  0.0810  102 ALA C CA  
2432 C C   . ALA C 88  ? 0.2934 0.3736 0.3101 -0.1226 0.0376  0.0683  102 ALA C C   
2433 O O   . ALA C 88  ? 0.2975 0.3640 0.2999 -0.1395 -0.0110 0.0886  102 ALA C O   
2434 C CB  . ALA C 88  ? 0.3515 0.4245 0.3288 -0.1060 0.0024  0.0549  102 ALA C CB  
2435 N N   . ARG C 89  ? 0.2489 0.3200 0.2710 -0.1154 0.0369  0.0599  103 ARG C N   
2436 C CA  . ARG C 89  ? 0.2866 0.2953 0.2442 -0.0815 0.0316  0.0301  103 ARG C CA  
2437 C C   . ARG C 89  ? 0.2449 0.2541 0.2460 -0.0842 0.0349  0.0408  103 ARG C C   
2438 O O   . ARG C 89  ? 0.2496 0.2686 0.2475 -0.0750 0.0185  0.0624  103 ARG C O   
2439 C CB  . ARG C 89  ? 0.3205 0.3203 0.2834 -0.0650 -0.0076 -0.0067 103 ARG C CB  
2440 C CG  . ARG C 89  ? 0.3464 0.3399 0.2984 -0.0600 -0.0018 -0.0040 103 ARG C CG  
2441 C CD  . ARG C 89  ? 0.3651 0.3525 0.3201 -0.0690 0.0020  0.0058  103 ARG C CD  
2442 N NE  . ARG C 89  ? 0.3650 0.3609 0.3518 -0.0731 -0.0012 0.0091  103 ARG C NE  
2443 C CZ  . ARG C 89  ? 0.4029 0.3520 0.3797 -0.0750 -0.0073 0.0425  103 ARG C CZ  
2444 N NH1 . ARG C 89  ? 0.3834 0.3400 0.3697 -0.0804 -0.0276 0.0300  103 ARG C NH1 
2445 N NH2 . ARG C 89  ? 0.4612 0.3556 0.4022 -0.0726 0.0044  0.0569  103 ARG C NH2 
2446 N N   . ILE C 90  ? 0.2172 0.2235 0.2207 -0.0755 0.0319  0.0327  104 ILE C N   
2447 C CA  . ILE C 90  ? 0.2276 0.1946 0.2089 -0.0795 0.0680  0.0076  104 ILE C CA  
2448 C C   . ILE C 90  ? 0.2292 0.2052 0.2001 -0.0572 0.0339  -0.0215 104 ILE C C   
2449 O O   . ILE C 90  ? 0.2562 0.1870 0.2023 -0.0428 0.0260  -0.0293 104 ILE C O   
2450 C CB  . ILE C 90  ? 0.2250 0.1725 0.2018 -0.0610 0.0597  0.0084  104 ILE C CB  
2451 C CG1 . ILE C 90  ? 0.2621 0.2018 0.1853 -0.0323 0.0434  0.0073  104 ILE C CG1 
2452 C CG2 . ILE C 90  ? 0.2194 0.1877 0.2283 -0.0605 0.0529  0.0012  104 ILE C CG2 
2453 C CD1 . ILE C 90  ? 0.3105 0.2060 0.2154 -0.0312 0.0376  -0.0025 104 ILE C CD1 
2454 N N   . ASN C 91  ? 0.1937 0.2033 0.1956 -0.0721 0.0362  -0.0172 105 ASN C N   
2455 C CA  . ASN C 91  ? 0.1815 0.2132 0.1933 -0.0383 0.0716  -0.0132 105 ASN C CA  
2456 C C   . ASN C 91  ? 0.1691 0.1862 0.1953 -0.0383 0.0289  0.0071  105 ASN C C   
2457 O O   . ASN C 91  ? 0.1939 0.1957 0.1903 -0.0180 -0.0147 0.0337  105 ASN C O   
2458 C CB  . ASN C 91  ? 0.2076 0.2752 0.2039 -0.0323 0.0749  0.0157  105 ASN C CB  
2459 C CG  . ASN C 91  ? 0.2403 0.3327 0.2453 -0.0160 0.1032  0.0362  105 ASN C CG  
2460 O OD1 . ASN C 91  ? 0.2816 0.3519 0.2694 -0.0014 0.0934  0.0369  105 ASN C OD1 
2461 N ND2 . ASN C 91  ? 0.2783 0.3515 0.3053 -0.0476 0.1081  0.0265  105 ASN C ND2 
2462 N N   . THR C 92  ? 0.1656 0.1914 0.1938 -0.0311 0.0466  -0.0095 106 THR C N   
2463 C CA  . THR C 92  ? 0.1727 0.1974 0.1913 -0.0264 0.0496  -0.0146 106 THR C CA  
2464 C C   . THR C 92  ? 0.1720 0.1705 0.1700 -0.0364 0.0649  -0.0131 106 THR C C   
2465 O O   . THR C 92  ? 0.2223 0.1785 0.1478 -0.0378 0.0235  -0.0053 106 THR C O   
2466 C CB  . THR C 92  ? 0.1505 0.2069 0.1708 0.0233  0.0115  -0.0141 106 THR C CB  
2467 O OG1 . THR C 92  ? 0.1929 0.1997 0.1549 -0.0068 0.0034  -0.0097 106 THR C OG1 
2468 C CG2 . THR C 92  ? 0.1661 0.2112 0.2267 0.0038  0.0297  -0.0120 106 THR C CG2 
2469 N N   . GLN C 93  ? 0.1638 0.1541 0.1832 -0.0520 0.0363  -0.0009 107 GLN C N   
2470 C CA  . GLN C 93  ? 0.1730 0.1589 0.1663 -0.0385 0.0350  -0.0423 107 GLN C CA  
2471 C C   . GLN C 93  ? 0.1656 0.1436 0.1734 -0.0159 0.0295  -0.0113 107 GLN C C   
2472 O O   . GLN C 93  ? 0.1739 0.1782 0.1674 -0.0022 0.0282  -0.0100 107 GLN C O   
2473 C CB  . GLN C 93  ? 0.1932 0.1958 0.2476 -0.0152 0.0617  -0.0814 107 GLN C CB  
2474 C CG  . GLN C 93  ? 0.1894 0.1983 0.3201 0.0064  0.0820  -0.0815 107 GLN C CG  
2475 C CD  . GLN C 93  ? 0.2163 0.2270 0.3411 -0.0018 -0.0122 -0.0918 107 GLN C CD  
2476 O OE1 . GLN C 93  ? 0.2330 0.2940 0.3779 -0.0053 -0.0190 -0.0498 107 GLN C OE1 
2477 N NE2 . GLN C 93  ? 0.2852 0.2479 0.3219 -0.0344 0.0105  -0.0482 107 GLN C NE2 
2478 N N   . TRP C 94  ? 0.1782 0.1388 0.1685 -0.0153 0.0147  -0.0318 108 TRP C N   
2479 C CA  . TRP C 94  ? 0.1384 0.1462 0.1637 -0.0120 0.0060  -0.0039 108 TRP C CA  
2480 C C   . TRP C 94  ? 0.1345 0.1597 0.1472 -0.0227 0.0047  -0.0003 108 TRP C C   
2481 O O   . TRP C 94  ? 0.1646 0.1583 0.1463 0.0097  0.0043  -0.0201 108 TRP C O   
2482 C CB  . TRP C 94  ? 0.1862 0.1479 0.1581 0.0314  -0.0036 0.0048  108 TRP C CB  
2483 C CG  . TRP C 94  ? 0.1702 0.1542 0.1412 0.0254  0.0074  0.0169  108 TRP C CG  
2484 C CD1 . TRP C 94  ? 0.2065 0.1646 0.1668 0.0092  0.0289  0.0278  108 TRP C CD1 
2485 C CD2 . TRP C 94  ? 0.2144 0.1559 0.1447 0.0204  0.0129  0.0006  108 TRP C CD2 
2486 N NE1 . TRP C 94  ? 0.2524 0.2043 0.1554 0.0127  0.0290  0.0244  108 TRP C NE1 
2487 C CE2 . TRP C 94  ? 0.2146 0.1850 0.1726 -0.0092 0.0260  0.0115  108 TRP C CE2 
2488 C CE3 . TRP C 94  ? 0.1903 0.1631 0.1689 0.0268  0.0124  -0.0166 108 TRP C CE3 
2489 C CZ2 . TRP C 94  ? 0.1898 0.1750 0.1813 -0.0224 0.0216  0.0016  108 TRP C CZ2 
2490 C CZ3 . TRP C 94  ? 0.1751 0.1636 0.1491 0.0015  0.0116  -0.0191 108 TRP C CZ3 
2491 C CH2 . TRP C 94  ? 0.2012 0.1563 0.1528 -0.0143 0.0266  -0.0060 108 TRP C CH2 
2492 N N   . LEU C 95  ? 0.1355 0.1536 0.1317 -0.0210 0.0215  -0.0029 109 LEU C N   
2493 C CA  . LEU C 95  ? 0.1518 0.1417 0.1407 -0.0160 0.0199  0.0056  109 LEU C CA  
2494 C C   . LEU C 95  ? 0.1498 0.1705 0.1745 0.0021  0.0123  -0.0161 109 LEU C C   
2495 O O   . LEU C 95  ? 0.1623 0.1991 0.2143 0.0025  -0.0145 -0.0794 109 LEU C O   
2496 C CB  . LEU C 95  ? 0.1849 0.1114 0.1464 0.0114  0.0219  0.0134  109 LEU C CB  
2497 C CG  . LEU C 95  ? 0.2161 0.1151 0.1739 0.0499  0.0311  0.0080  109 LEU C CG  
2498 C CD1 . LEU C 95  ? 0.2310 0.1343 0.2085 0.0793  0.0023  0.0346  109 LEU C CD1 
2499 C CD2 . LEU C 95  ? 0.2654 0.1480 0.1852 0.0417  0.0371  -0.0349 109 LEU C CD2 
2500 N N   . LEU C 96  ? 0.1393 0.1722 0.1591 -0.0088 0.0135  -0.0104 110 LEU C N   
2501 C CA  . LEU C 96  ? 0.1213 0.1630 0.1657 -0.0116 0.0073  0.0191  110 LEU C CA  
2502 C C   . LEU C 96  ? 0.1638 0.1650 0.1280 0.0046  0.0201  -0.0050 110 LEU C C   
2503 O O   . LEU C 96  ? 0.1768 0.1867 0.1405 0.0055  0.0062  -0.0332 110 LEU C O   
2504 C CB  . LEU C 96  ? 0.1780 0.1647 0.1715 0.0226  0.0194  0.0139  110 LEU C CB  
2505 C CG  . LEU C 96  ? 0.2008 0.1827 0.1871 0.0533  0.0109  0.0192  110 LEU C CG  
2506 C CD1 . LEU C 96  ? 0.2253 0.2122 0.1674 0.0264  0.0334  -0.0187 110 LEU C CD1 
2507 C CD2 . LEU C 96  ? 0.2680 0.1922 0.1848 0.0407  0.0243  0.0611  110 LEU C CD2 
2508 N N   . THR C 97  ? 0.1788 0.1876 0.1039 0.0199  0.0320  0.0202  111 THR C N   
2509 C CA  . THR C 97  ? 0.1632 0.1751 0.1265 0.0104  0.0319  0.0214  111 THR C CA  
2510 C C   . THR C 97  ? 0.1200 0.1945 0.1618 0.0149  0.0453  -0.0105 111 THR C C   
2511 O O   . THR C 97  ? 0.1724 0.1856 0.1962 0.0424  0.0012  -0.0259 111 THR C O   
2512 C CB  . THR C 97  ? 0.1677 0.1726 0.1597 0.0280  0.0107  0.0140  111 THR C CB  
2513 O OG1 . THR C 97  ? 0.1744 0.1582 0.1768 0.0385  -0.0007 -0.0034 111 THR C OG1 
2514 C CG2 . THR C 97  ? 0.2108 0.1643 0.1893 0.0034  0.0586  0.0123  111 THR C CG2 
2515 N N   . SER C 98  ? 0.0851 0.2172 0.1897 0.0227  0.0184  0.0129  112 SER C N   
2516 C CA  . SER C 98  ? 0.1091 0.2252 0.1929 0.0211  0.0175  -0.0197 112 SER C CA  
2517 C C   . SER C 98  ? 0.1481 0.2215 0.2051 0.0081  0.0660  -0.0240 112 SER C C   
2518 O O   . SER C 98  ? 0.1716 0.2037 0.2283 -0.0148 0.0439  -0.0291 112 SER C O   
2519 C CB  . SER C 98  ? 0.1472 0.2410 0.2065 0.0037  0.0176  -0.0095 112 SER C CB  
2520 O OG  . SER C 98  ? 0.1805 0.2530 0.2341 0.0110  0.0121  0.0271  112 SER C OG  
2521 N N   . GLY C 99  ? 0.1451 0.2478 0.2055 -0.0168 0.0467  -0.0120 113 GLY C N   
2522 C CA  . GLY C 99  ? 0.1572 0.2729 0.2069 -0.0133 0.0307  -0.0164 113 GLY C CA  
2523 C C   . GLY C 99  ? 0.1784 0.2832 0.2419 -0.0040 0.0157  -0.0118 113 GLY C C   
2524 O O   . GLY C 99  ? 0.2209 0.2987 0.2770 0.0192  -0.0229 0.0322  113 GLY C O   
2525 N N   . THR C 100 ? 0.1483 0.2837 0.2425 -0.0037 0.0429  -0.0138 114 THR C N   
2526 C CA  . THR C 100 ? 0.1596 0.2927 0.2352 -0.0267 0.0289  -0.0260 114 THR C CA  
2527 C C   . THR C 100 ? 0.1480 0.2914 0.2468 -0.0263 0.0244  -0.0153 114 THR C C   
2528 O O   . THR C 100 ? 0.1513 0.2948 0.2238 -0.0291 0.0327  -0.0147 114 THR C O   
2529 C CB  . THR C 100 ? 0.1598 0.2876 0.2105 -0.0155 0.0136  -0.0166 114 THR C CB  
2530 O OG1 . THR C 100 ? 0.1669 0.2765 0.2256 0.0039  0.0218  -0.0204 114 THR C OG1 
2531 C CG2 . THR C 100 ? 0.1714 0.3036 0.2276 -0.0222 0.0349  0.0095  114 THR C CG2 
2532 N N   . THR C 101 ? 0.1611 0.2825 0.2372 -0.0302 0.0251  -0.0083 115 THR C N   
2533 C CA  . THR C 101 ? 0.1644 0.3248 0.2779 -0.0493 0.0358  -0.0443 115 THR C CA  
2534 C C   . THR C 101 ? 0.1960 0.3186 0.2410 -0.0706 0.0356  -0.0215 115 THR C C   
2535 O O   . THR C 101 ? 0.2260 0.3216 0.2259 -0.0598 0.0222  -0.0141 115 THR C O   
2536 C CB  . THR C 101 ? 0.1933 0.3651 0.3470 -0.0475 0.0017  -0.0783 115 THR C CB  
2537 O OG1 . THR C 101 ? 0.2025 0.3917 0.3503 -0.0457 -0.0039 -0.0877 115 THR C OG1 
2538 C CG2 . THR C 101 ? 0.1983 0.3752 0.4029 -0.0206 -0.0166 -0.0681 115 THR C CG2 
2539 N N   . GLU C 102 ? 0.2582 0.3239 0.2432 -0.0450 0.0458  -0.0034 116 GLU C N   
2540 C CA  . GLU C 102 ? 0.3310 0.3390 0.2610 -0.0587 0.0799  0.0181  116 GLU C CA  
2541 C C   . GLU C 102 ? 0.2619 0.3325 0.2550 -0.0947 0.0405  -0.0228 116 GLU C C   
2542 O O   . GLU C 102 ? 0.2535 0.3390 0.2428 -0.0772 0.0849  -0.0132 116 GLU C O   
2543 C CB  . GLU C 102 ? 0.3875 0.3553 0.3550 -0.0739 0.1161  0.0236  116 GLU C CB  
2544 C CG  . GLU C 102 ? 0.4821 0.3916 0.4678 -0.0849 0.1056  0.0225  116 GLU C CG  
2545 C CD  . GLU C 102 ? 0.5740 0.4249 0.5788 -0.0841 0.0882  0.0221  116 GLU C CD  
2546 O OE1 . GLU C 102 ? 0.6206 0.4369 0.6230 -0.1154 0.0404  0.0175  116 GLU C OE1 
2547 O OE2 . GLU C 102 ? 0.6092 0.4402 0.6129 -0.0668 0.0895  0.0335  116 GLU C OE2 
2548 N N   . ALA C 103 ? 0.2520 0.3439 0.2549 -0.0965 0.0186  -0.0316 117 ALA C N   
2549 C CA  . ALA C 103 ? 0.2276 0.3588 0.2880 -0.0924 -0.0148 -0.0308 117 ALA C CA  
2550 C C   . ALA C 103 ? 0.2479 0.3592 0.2524 -0.0639 0.0168  -0.0175 117 ALA C C   
2551 O O   . ALA C 103 ? 0.2848 0.3591 0.2502 -0.0580 0.0118  -0.0197 117 ALA C O   
2552 C CB  . ALA C 103 ? 0.2168 0.3682 0.3558 -0.1090 -0.0142 -0.0340 117 ALA C CB  
2553 N N   . ASN C 104 ? 0.1953 0.3392 0.2079 -0.1029 0.0075  -0.0043 118 ASN C N   
2554 C CA  . ASN C 104 ? 0.1822 0.3387 0.2418 -0.0392 -0.0166 0.0132  118 ASN C CA  
2555 C C   . ASN C 104 ? 0.1672 0.2895 0.2149 -0.0266 0.0025  -0.0114 118 ASN C C   
2556 O O   . ASN C 104 ? 0.1994 0.2944 0.2030 -0.0135 -0.0034 -0.0195 118 ASN C O   
2557 C CB  . ASN C 104 ? 0.1902 0.3801 0.2458 -0.0433 -0.0406 0.0228  118 ASN C CB  
2558 C CG  . ASN C 104 ? 0.2410 0.4204 0.2950 -0.0419 -0.0503 -0.0084 118 ASN C CG  
2559 O OD1 . ASN C 104 ? 0.2730 0.4358 0.3360 -0.0587 -0.0667 -0.0250 118 ASN C OD1 
2560 N ND2 . ASN C 104 ? 0.2363 0.4434 0.3103 -0.0195 -0.0501 -0.0046 118 ASN C ND2 
2561 N N   . ALA C 105 ? 0.1551 0.2608 0.2011 -0.0075 0.0199  -0.0111 119 ALA C N   
2562 C CA  . ALA C 105 ? 0.1585 0.2450 0.2053 0.0131  -0.0073 -0.0194 119 ALA C CA  
2563 C C   . ALA C 105 ? 0.1643 0.2247 0.2126 0.0153  0.0032  -0.0344 119 ALA C C   
2564 O O   . ALA C 105 ? 0.1856 0.2218 0.2373 0.0141  0.0361  -0.0287 119 ALA C O   
2565 C CB  . ALA C 105 ? 0.1879 0.2759 0.1775 -0.0053 0.0043  -0.0223 119 ALA C CB  
2566 N N   . TRP C 106 ? 0.2186 0.2302 0.2265 -0.0009 0.0539  -0.0605 120 TRP C N   
2567 C CA  . TRP C 106 ? 0.2480 0.2203 0.2095 -0.0509 0.0461  -0.0606 120 TRP C CA  
2568 C C   . TRP C 106 ? 0.2441 0.2145 0.2228 -0.0379 0.0336  -0.0454 120 TRP C C   
2569 O O   . TRP C 106 ? 0.2165 0.2101 0.2438 -0.0385 0.0464  -0.0408 120 TRP C O   
2570 C CB  . TRP C 106 ? 0.2759 0.2253 0.2222 -0.0625 0.0432  -0.0401 120 TRP C CB  
2571 C CG  . TRP C 106 ? 0.2809 0.2538 0.2246 -0.0873 0.0140  -0.0425 120 TRP C CG  
2572 C CD1 . TRP C 106 ? 0.2631 0.2758 0.2545 -0.0704 0.0153  -0.0332 120 TRP C CD1 
2573 C CD2 . TRP C 106 ? 0.3007 0.2705 0.2131 -0.1263 0.0515  -0.0512 120 TRP C CD2 
2574 N NE1 . TRP C 106 ? 0.2913 0.2865 0.2487 -0.0818 0.0048  -0.0382 120 TRP C NE1 
2575 C CE2 . TRP C 106 ? 0.3205 0.2911 0.2078 -0.0880 0.0232  -0.0292 120 TRP C CE2 
2576 C CE3 . TRP C 106 ? 0.3537 0.2884 0.2419 -0.1203 0.0470  -0.0473 120 TRP C CE3 
2577 C CZ2 . TRP C 106 ? 0.3471 0.3146 0.2526 -0.0922 0.0258  -0.0415 120 TRP C CZ2 
2578 C CZ3 . TRP C 106 ? 0.3494 0.2951 0.2549 -0.1289 0.0185  -0.0459 120 TRP C CZ3 
2579 C CH2 . TRP C 106 ? 0.3395 0.3075 0.2645 -0.1286 -0.0133 -0.0551 120 TRP C CH2 
2580 N N   . LYS C 107 ? 0.2520 0.1802 0.1980 -0.0621 0.0136  -0.0142 121 LYS C N   
2581 C CA  . LYS C 107 ? 0.2224 0.2196 0.2112 -0.0604 0.0028  -0.0119 121 LYS C CA  
2582 C C   . LYS C 107 ? 0.1884 0.2138 0.2094 -0.0017 0.0185  -0.0143 121 LYS C C   
2583 O O   . LYS C 107 ? 0.1951 0.2409 0.2499 -0.0113 0.0101  0.0209  121 LYS C O   
2584 C CB  . LYS C 107 ? 0.2197 0.2706 0.2281 -0.0467 0.0035  0.0009  121 LYS C CB  
2585 C CG  . LYS C 107 ? 0.1922 0.3153 0.2810 -0.0383 -0.0521 0.0178  121 LYS C CG  
2586 C CD  . LYS C 107 ? 0.1945 0.3556 0.3230 -0.0245 -0.0735 0.0156  121 LYS C CD  
2587 C CE  . LYS C 107 ? 0.1696 0.4000 0.3705 0.0027  -0.0806 0.0102  121 LYS C CE  
2588 N NZ  . LYS C 107 ? 0.2225 0.4270 0.4302 0.0253  -0.0397 0.0070  121 LYS C NZ  
2589 N N   . SER C 108 ? 0.1550 0.1965 0.2059 -0.0019 0.0215  -0.0290 122 SER C N   
2590 C CA  . SER C 108 ? 0.1506 0.1727 0.1919 0.0084  0.0137  -0.0212 122 SER C CA  
2591 C C   . SER C 108 ? 0.1384 0.1708 0.1777 0.0064  0.0303  0.0074  122 SER C C   
2592 O O   . SER C 108 ? 0.1663 0.1569 0.1719 0.0222  0.0071  -0.0134 122 SER C O   
2593 C CB  . SER C 108 ? 0.1694 0.1743 0.2043 0.0089  0.0318  -0.0365 122 SER C CB  
2594 O OG  . SER C 108 ? 0.2448 0.2029 0.2170 -0.0186 -0.0263 -0.0087 122 SER C OG  
2595 N N   . THR C 109 ? 0.1589 0.1659 0.1359 -0.0015 0.0232  -0.0008 123 THR C N   
2596 C CA  . THR C 109 ? 0.1356 0.1709 0.1645 0.0051  0.0064  0.0228  123 THR C CA  
2597 C C   . THR C 109 ? 0.1494 0.1585 0.1670 0.0064  0.0164  0.0030  123 THR C C   
2598 O O   . THR C 109 ? 0.1691 0.1572 0.1608 0.0347  0.0143  0.0073  123 THR C O   
2599 C CB  . THR C 109 ? 0.1695 0.1702 0.1750 0.0294  0.0182  0.0375  123 THR C CB  
2600 O OG1 . THR C 109 ? 0.1918 0.1681 0.1516 0.0040  0.0315  0.0248  123 THR C OG1 
2601 C CG2 . THR C 109 ? 0.1964 0.1780 0.2000 0.0205  0.0131  0.0118  123 THR C CG2 
2602 N N   . LEU C 110 ? 0.1502 0.1350 0.1285 0.0220  0.0162  0.0265  124 LEU C N   
2603 C CA  . LEU C 110 ? 0.1154 0.1209 0.1460 0.0272  0.0165  0.0262  124 LEU C CA  
2604 C C   . LEU C 110 ? 0.1071 0.1546 0.1497 0.0249  0.0102  -0.0027 124 LEU C C   
2605 O O   . LEU C 110 ? 0.1603 0.1706 0.1291 0.0092  -0.0103 -0.0017 124 LEU C O   
2606 C CB  . LEU C 110 ? 0.1499 0.1186 0.1618 0.0315  -0.0252 -0.0040 124 LEU C CB  
2607 C CG  . LEU C 110 ? 0.1800 0.1506 0.1647 0.0407  -0.0483 -0.0180 124 LEU C CG  
2608 C CD1 . LEU C 110 ? 0.2331 0.1618 0.1805 0.0724  -0.0523 -0.0112 124 LEU C CD1 
2609 C CD2 . LEU C 110 ? 0.1678 0.1693 0.1750 0.0324  -0.0573 -0.0417 124 LEU C CD2 
2610 N N   . VAL C 111 ? 0.1269 0.1440 0.1596 0.0052  0.0254  -0.0160 125 VAL C N   
2611 C CA  . VAL C 111 ? 0.1228 0.1411 0.1697 0.0256  0.0231  0.0092  125 VAL C CA  
2612 C C   . VAL C 111 ? 0.1430 0.1200 0.1706 0.0061  -0.0100 0.0189  125 VAL C C   
2613 O O   . VAL C 111 ? 0.1654 0.1435 0.1787 -0.0016 -0.0024 -0.0093 125 VAL C O   
2614 C CB  . VAL C 111 ? 0.1569 0.1392 0.1984 0.0175  -0.0106 -0.0119 125 VAL C CB  
2615 C CG1 . VAL C 111 ? 0.2185 0.1085 0.1702 -0.0007 0.0269  -0.0078 125 VAL C CG1 
2616 C CG2 . VAL C 111 ? 0.1572 0.1464 0.1691 -0.0006 0.0012  -0.0029 125 VAL C CG2 
2617 N N   . GLY C 112 ? 0.1642 0.0818 0.1665 0.0021  0.0194  0.0134  126 GLY C N   
2618 C CA  . GLY C 112 ? 0.1538 0.0981 0.1535 -0.0027 0.0323  -0.0109 126 GLY C CA  
2619 C C   . GLY C 112 ? 0.1751 0.1476 0.1537 -0.0226 0.0323  -0.0135 126 GLY C C   
2620 O O   . GLY C 112 ? 0.1969 0.1701 0.1483 -0.0129 0.0125  -0.0158 126 GLY C O   
2621 N N   . HIS C 113 ? 0.1743 0.1524 0.1598 -0.0411 0.0193  0.0031  127 HIS C N   
2622 C CA  . HIS C 113 ? 0.2221 0.1772 0.1945 -0.0385 0.0357  -0.0003 127 HIS C CA  
2623 C C   . HIS C 113 ? 0.2349 0.1760 0.1979 -0.0228 0.0094  0.0283  127 HIS C C   
2624 O O   . HIS C 113 ? 0.2524 0.1720 0.2019 -0.0368 -0.0379 0.0501  127 HIS C O   
2625 C CB  . HIS C 113 ? 0.2403 0.2124 0.1750 -0.0019 0.0316  -0.0025 127 HIS C CB  
2626 C CG  . HIS C 113 ? 0.3212 0.2250 0.1609 0.0217  0.0405  -0.0065 127 HIS C CG  
2627 N ND1 . HIS C 113 ? 0.4080 0.2453 0.1950 0.0297  0.0480  -0.0287 127 HIS C ND1 
2628 C CD2 . HIS C 113 ? 0.3508 0.2222 0.1184 0.0490  0.0023  -0.0458 127 HIS C CD2 
2629 C CE1 . HIS C 113 ? 0.4159 0.2403 0.1702 0.0372  0.0063  -0.0252 127 HIS C CE1 
2630 N NE2 . HIS C 113 ? 0.4226 0.2478 0.1876 0.0241  0.0049  -0.0510 127 HIS C NE2 
2631 N N   . ASP C 114 ? 0.1978 0.1632 0.1974 -0.0168 0.0213  0.0142  128 ASP C N   
2632 C CA  . ASP C 114 ? 0.1985 0.1821 0.1955 -0.0308 0.0345  0.0185  128 ASP C CA  
2633 C C   . ASP C 114 ? 0.2080 0.1769 0.1906 -0.0489 0.0560  0.0128  128 ASP C C   
2634 O O   . ASP C 114 ? 0.2298 0.1771 0.2114 -0.0251 0.0274  0.0300  128 ASP C O   
2635 C CB  . ASP C 114 ? 0.1818 0.1989 0.2115 -0.0109 0.0101  0.0022  128 ASP C CB  
2636 C CG  . ASP C 114 ? 0.2516 0.2132 0.2004 -0.0069 -0.0080 0.0254  128 ASP C CG  
2637 O OD1 . ASP C 114 ? 0.2485 0.2486 0.2253 -0.0153 -0.0033 0.0229  128 ASP C OD1 
2638 O OD2 . ASP C 114 ? 0.2310 0.1775 0.1986 0.0005  -0.0044 0.0376  128 ASP C OD2 
2639 N N   . THR C 115 ? 0.2171 0.1651 0.1838 -0.0544 0.0479  -0.0031 129 THR C N   
2640 C CA  . THR C 115 ? 0.2418 0.2076 0.1824 -0.0411 0.0681  0.0034  129 THR C CA  
2641 C C   . THR C 115 ? 0.2669 0.2164 0.1936 -0.0443 0.0156  0.0094  129 THR C C   
2642 O O   . THR C 115 ? 0.2819 0.2190 0.2143 -0.0350 -0.0263 0.0239  129 THR C O   
2643 C CB  . THR C 115 ? 0.2534 0.2560 0.2289 -0.0644 0.0452  0.0175  129 THR C CB  
2644 O OG1 . THR C 115 ? 0.2631 0.2675 0.2635 -0.0814 0.0641  -0.0259 129 THR C OG1 
2645 C CG2 . THR C 115 ? 0.3194 0.2752 0.2213 -0.0338 0.0247  0.0094  129 THR C CG2 
2646 N N   . PHE C 116 ? 0.2577 0.2077 0.1832 -0.0412 0.0283  -0.0259 130 PHE C N   
2647 C CA  . PHE C 116 ? 0.2583 0.1986 0.1742 -0.0638 0.0449  -0.0109 130 PHE C CA  
2648 C C   . PHE C 116 ? 0.2726 0.2011 0.1874 -0.0532 0.0325  0.0384  130 PHE C C   
2649 O O   . PHE C 116 ? 0.2689 0.1950 0.2316 -0.0462 0.0254  0.0164  130 PHE C O   
2650 C CB  . PHE C 116 ? 0.2643 0.2039 0.1694 -0.0430 0.0538  0.0131  130 PHE C CB  
2651 C CG  . PHE C 116 ? 0.2137 0.1736 0.1830 -0.0365 0.0560  0.0184  130 PHE C CG  
2652 C CD1 . PHE C 116 ? 0.2318 0.1916 0.1856 -0.0156 0.0293  0.0102  130 PHE C CD1 
2653 C CD2 . PHE C 116 ? 0.2372 0.1714 0.1865 -0.0127 0.0627  0.0140  130 PHE C CD2 
2654 C CE1 . PHE C 116 ? 0.2019 0.1830 0.1576 0.0196  0.0118  -0.0128 130 PHE C CE1 
2655 C CE2 . PHE C 116 ? 0.2567 0.1584 0.1805 -0.0009 0.0410  0.0446  130 PHE C CE2 
2656 C CZ  . PHE C 116 ? 0.2288 0.1612 0.1902 0.0009  0.0170  0.0021  130 PHE C CZ  
2657 N N   . THR C 117 ? 0.3007 0.2031 0.2223 -0.0711 0.0232  0.0636  131 THR C N   
2658 C CA  . THR C 117 ? 0.3177 0.2268 0.2311 -0.0638 0.0109  0.0748  131 THR C CA  
2659 C C   . THR C 117 ? 0.2909 0.2292 0.2828 -0.0971 0.0071  0.0536  131 THR C C   
2660 O O   . THR C 117 ? 0.2755 0.2083 0.2650 -0.0601 0.0286  0.0519  131 THR C O   
2661 C CB  . THR C 117 ? 0.3715 0.2695 0.2274 -0.0031 0.0339  0.0557  131 THR C CB  
2662 O OG1 . THR C 117 ? 0.4584 0.3151 0.2422 0.0487  0.0124  0.0746  131 THR C OG1 
2663 C CG2 . THR C 117 ? 0.3879 0.2828 0.2134 -0.0369 0.0561  0.0268  131 THR C CG2 
2664 N N   . LYS C 118 ? 0.3220 0.2447 0.3536 -0.1112 -0.0007 0.0252  132 LYS C N   
2665 C CA  . LYS C 118 ? 0.3371 0.2610 0.4031 -0.1404 -0.0198 0.0218  132 LYS C CA  
2666 C C   . LYS C 118 ? 0.3382 0.2711 0.3855 -0.1445 0.0241  0.0599  132 LYS C C   
2667 O O   . LYS C 118 ? 0.3916 0.2606 0.4027 -0.0864 0.0431  0.0472  132 LYS C O   
2668 C CB  . LYS C 118 ? 0.4333 0.2910 0.4624 -0.1185 -0.0445 -0.0026 132 LYS C CB  
2669 C CG  . LYS C 118 ? 0.4522 0.3167 0.4733 -0.1045 -0.0639 -0.0235 132 LYS C CG  
2670 C CD  . LYS C 118 ? 0.4970 0.3527 0.5028 -0.0780 0.0301  -0.0331 132 LYS C CD  
2671 C CE  . LYS C 118 ? 0.5261 0.3641 0.5153 -0.0927 0.0620  -0.0591 132 LYS C CE  
2672 N NZ  . LYS C 118 ? 0.5679 0.3930 0.5389 -0.0899 0.0851  -0.0783 132 LYS C NZ  
2673 N N   . VAL C 119 ? 0.3591 0.3089 0.3493 -0.1239 0.0273  0.1052  133 VAL C N   
2674 C CA  . VAL C 119 ? 0.3974 0.3662 0.3543 -0.1133 0.0242  0.1212  133 VAL C CA  
2675 C C   . VAL C 119 ? 0.4534 0.4025 0.3612 -0.1105 0.0011  0.1494  133 VAL C C   
2676 O O   . VAL C 119 ? 0.4715 0.4058 0.3628 -0.1290 -0.0429 0.1681  133 VAL C O   
2677 C CB  . VAL C 119 ? 0.4346 0.3999 0.3802 -0.1080 0.0640  0.1071  133 VAL C CB  
2678 C CG1 . VAL C 119 ? 0.4695 0.4168 0.3931 -0.0807 0.0590  0.0949  133 VAL C CG1 
2679 C CG2 . VAL C 119 ? 0.4353 0.4128 0.4136 -0.1060 0.0926  0.0795  133 VAL C CG2 
2680 N N   . LYS C 120 ? 0.5114 0.4504 0.4086 -0.0999 0.0488  0.1149  134 LYS C N   
2681 C CA  . LYS C 120 ? 0.5688 0.4848 0.4599 -0.0825 0.0420  0.0765  134 LYS C CA  
2682 C C   . LYS C 120 ? 0.6094 0.4995 0.4554 -0.1009 0.0114  0.0501  134 LYS C C   
2683 O O   . LYS C 120 ? 0.6179 0.4967 0.4264 -0.1194 -0.0100 0.0683  134 LYS C O   
2684 C CB  . LYS C 120 ? 0.6068 0.5013 0.5072 -0.0602 0.0418  0.0853  134 LYS C CB  
2685 C CG  . LYS C 120 ? 0.6171 0.5081 0.5244 -0.0660 0.0526  0.1080  134 LYS C CG  
2686 C CD  . LYS C 120 ? 0.6367 0.5112 0.5415 -0.0702 0.0364  0.1316  134 LYS C CD  
2687 C CE  . LYS C 120 ? 0.6601 0.5133 0.5813 -0.0871 0.0582  0.1430  134 LYS C CE  
2688 N NZ  . LYS C 120 ? 0.6705 0.5153 0.6013 -0.0805 0.0606  0.1420  134 LYS C NZ  
2689 N N   . PRO C 121 ? 0.6428 0.5037 0.4733 -0.0927 0.0214  0.0327  135 PRO C N   
2690 C CA  . PRO C 121 ? 0.6856 0.5095 0.5011 -0.0769 0.0350  0.0256  135 PRO C CA  
2691 C C   . PRO C 121 ? 0.7281 0.5161 0.5117 -0.0634 0.0329  0.0286  135 PRO C C   
2692 O O   . PRO C 121 ? 0.7522 0.5202 0.5406 -0.0494 0.0221  0.0289  135 PRO C O   
2693 C CB  . PRO C 121 ? 0.6660 0.5080 0.5113 -0.0830 0.0477  0.0149  135 PRO C CB  
2694 C CG  . PRO C 121 ? 0.6496 0.5073 0.4943 -0.0885 0.0387  0.0141  135 PRO C CG  
2695 C CD  . PRO C 121 ? 0.6362 0.5067 0.4760 -0.0873 0.0262  0.0217  135 PRO C CD  
2696 N N   . ALA D 1   ? 0.5789 0.4840 0.3657 -0.0515 -0.0284 -0.0171 15  ALA D N   
2697 C CA  . ALA D 1   ? 0.5492 0.4686 0.3977 -0.0521 -0.0205 -0.0029 15  ALA D CA  
2698 C C   . ALA D 1   ? 0.4983 0.4548 0.3602 -0.0407 -0.0620 0.0018  15  ALA D C   
2699 O O   . ALA D 1   ? 0.5616 0.4664 0.3470 -0.0446 -0.0169 -0.0176 15  ALA D O   
2700 C CB  . ALA D 1   ? 0.5764 0.4702 0.4355 -0.0482 -0.0065 -0.0054 15  ALA D CB  
2701 N N   . GLY D 2   ? 0.4045 0.4121 0.3249 -0.0215 -0.0913 0.0422  16  GLY D N   
2702 C CA  . GLY D 2   ? 0.3319 0.3578 0.2909 -0.0071 -0.0757 0.0485  16  GLY D CA  
2703 C C   . GLY D 2   ? 0.2525 0.3249 0.2500 -0.0299 -0.0713 0.0253  16  GLY D C   
2704 O O   . GLY D 2   ? 0.2753 0.3140 0.2569 -0.0742 -0.0333 0.0313  16  GLY D O   
2705 N N   . ILE D 3   ? 0.2647 0.3226 0.2224 -0.0034 -0.0004 0.0224  17  ILE D N   
2706 C CA  . ILE D 3   ? 0.2451 0.2909 0.2120 -0.0136 -0.0189 0.0308  17  ILE D CA  
2707 C C   . ILE D 3   ? 0.1956 0.2660 0.1671 -0.0490 -0.0390 0.0205  17  ILE D C   
2708 O O   . ILE D 3   ? 0.1878 0.2397 0.1937 -0.0482 -0.0340 0.0028  17  ILE D O   
2709 C CB  . ILE D 3   ? 0.2125 0.2887 0.1972 -0.0150 0.0028  0.0252  17  ILE D CB  
2710 C CG1 . ILE D 3   ? 0.2180 0.2980 0.2538 -0.0464 0.0013  0.0428  17  ILE D CG1 
2711 C CG2 . ILE D 3   ? 0.2328 0.2870 0.1849 0.0056  -0.0353 0.0086  17  ILE D CG2 
2712 C CD1 . ILE D 3   ? 0.2532 0.3108 0.2783 -0.0213 0.0400  0.0642  17  ILE D CD1 
2713 N N   . THR D 4   ? 0.2045 0.2679 0.1747 -0.0435 -0.0199 0.0127  18  THR D N   
2714 C CA  . THR D 4   ? 0.2178 0.2742 0.1536 -0.0623 -0.0245 -0.0013 18  THR D CA  
2715 C C   . THR D 4   ? 0.2626 0.2592 0.1596 -0.0860 -0.0006 0.0002  18  THR D C   
2716 O O   . THR D 4   ? 0.2864 0.2577 0.1859 -0.1101 -0.0070 0.0379  18  THR D O   
2717 C CB  . THR D 4   ? 0.2176 0.2833 0.1802 -0.0694 -0.0132 0.0027  18  THR D CB  
2718 O OG1 . THR D 4   ? 0.2510 0.2976 0.1799 -0.0995 -0.0061 0.0095  18  THR D OG1 
2719 C CG2 . THR D 4   ? 0.2322 0.2963 0.1927 -0.0294 -0.0099 0.0060  18  THR D CG2 
2720 N N   . GLY D 5   ? 0.2166 0.2424 0.1531 -0.0667 -0.0187 0.0006  19  GLY D N   
2721 C CA  . GLY D 5   ? 0.2086 0.2336 0.1535 -0.0330 0.0052  0.0284  19  GLY D CA  
2722 C C   . GLY D 5   ? 0.2107 0.2235 0.1670 -0.0405 0.0073  0.0014  19  GLY D C   
2723 O O   . GLY D 5   ? 0.2314 0.1959 0.1621 -0.0132 0.0036  0.0103  19  GLY D O   
2724 N N   . THR D 6   ? 0.2062 0.2510 0.1988 -0.0477 0.0213  -0.0035 20  THR D N   
2725 C CA  . THR D 6   ? 0.1961 0.2648 0.1831 -0.0426 0.0403  -0.0197 20  THR D CA  
2726 C C   . THR D 6   ? 0.2317 0.2599 0.1558 -0.0267 0.0343  0.0179  20  THR D C   
2727 O O   . THR D 6   ? 0.2839 0.2848 0.1713 0.0108  0.0278  0.0447  20  THR D O   
2728 C CB  . THR D 6   ? 0.1878 0.3013 0.1749 -0.0355 0.0283  -0.0499 20  THR D CB  
2729 O OG1 . THR D 6   ? 0.2462 0.3216 0.1842 -0.0490 0.0239  -0.0777 20  THR D OG1 
2730 C CG2 . THR D 6   ? 0.1992 0.3125 0.2075 -0.0389 0.0028  -0.0644 20  THR D CG2 
2731 N N   . TRP D 7   ? 0.1987 0.2520 0.1212 -0.0172 0.0147  0.0183  21  TRP D N   
2732 C CA  . TRP D 7   ? 0.1788 0.2314 0.1674 -0.0222 0.0035  -0.0083 21  TRP D CA  
2733 C C   . TRP D 7   ? 0.2098 0.2133 0.1627 -0.0432 -0.0097 -0.0172 21  TRP D C   
2734 O O   . TRP D 7   ? 0.2228 0.2106 0.1847 -0.0171 0.0042  -0.0244 21  TRP D O   
2735 C CB  . TRP D 7   ? 0.1706 0.2182 0.2080 -0.0418 0.0667  -0.0087 21  TRP D CB  
2736 C CG  . TRP D 7   ? 0.1961 0.2312 0.1989 -0.0317 0.0328  -0.0005 21  TRP D CG  
2737 C CD1 . TRP D 7   ? 0.1786 0.2479 0.1955 0.0153  0.0161  0.0062  21  TRP D CD1 
2738 C CD2 . TRP D 7   ? 0.1922 0.2318 0.1720 -0.0044 0.0177  0.0118  21  TRP D CD2 
2739 N NE1 . TRP D 7   ? 0.1632 0.2377 0.2288 0.0045  -0.0072 0.0266  21  TRP D NE1 
2740 C CE2 . TRP D 7   ? 0.1500 0.2361 0.1913 0.0002  -0.0112 0.0183  21  TRP D CE2 
2741 C CE3 . TRP D 7   ? 0.2070 0.2296 0.1319 0.0143  -0.0049 0.0139  21  TRP D CE3 
2742 C CZ2 . TRP D 7   ? 0.2012 0.2271 0.2157 -0.0064 0.0228  0.0379  21  TRP D CZ2 
2743 C CZ3 . TRP D 7   ? 0.1670 0.2242 0.1587 -0.0042 -0.0200 0.0277  21  TRP D CZ3 
2744 C CH2 . TRP D 7   ? 0.1861 0.2333 0.1894 -0.0277 0.0184  0.0248  21  TRP D CH2 
2745 N N   . TYR D 8   ? 0.1961 0.2145 0.1800 -0.0368 0.0000  -0.0183 22  TYR D N   
2746 C CA  . TYR D 8   ? 0.1909 0.2260 0.1831 -0.0519 -0.0170 -0.0106 22  TYR D CA  
2747 C C   . TYR D 8   ? 0.2101 0.2174 0.1825 -0.0356 -0.0053 -0.0075 22  TYR D C   
2748 O O   . TYR D 8   ? 0.2223 0.2121 0.1912 -0.0126 0.0067  -0.0052 22  TYR D O   
2749 C CB  . TYR D 8   ? 0.1504 0.2512 0.1819 -0.0608 -0.0045 -0.0079 22  TYR D CB  
2750 C CG  . TYR D 8   ? 0.1616 0.2744 0.1910 -0.0135 -0.0153 0.0057  22  TYR D CG  
2751 C CD1 . TYR D 8   ? 0.1917 0.2815 0.1851 -0.0013 0.0173  0.0176  22  TYR D CD1 
2752 C CD2 . TYR D 8   ? 0.1644 0.3027 0.1875 -0.0077 -0.0223 0.0003  22  TYR D CD2 
2753 C CE1 . TYR D 8   ? 0.1822 0.2915 0.2002 0.0453  0.0120  0.0007  22  TYR D CE1 
2754 C CE2 . TYR D 8   ? 0.1759 0.3087 0.1802 0.0170  -0.0207 0.0065  22  TYR D CE2 
2755 C CZ  . TYR D 8   ? 0.1538 0.2993 0.1924 0.0331  0.0030  0.0069  22  TYR D CZ  
2756 O OH  . TYR D 8   ? 0.2113 0.2863 0.1979 0.0195  0.0182  -0.0099 22  TYR D OH  
2757 N N   . ASN D 9   ? 0.2471 0.2221 0.1825 -0.0129 -0.0172 -0.0132 23  ASN D N   
2758 C CA  . ASN D 9   ? 0.3096 0.2583 0.1940 -0.0135 0.0003  -0.0057 23  ASN D CA  
2759 C C   . ASN D 9   ? 0.3764 0.2617 0.2273 -0.0469 -0.0029 -0.0108 23  ASN D C   
2760 O O   . ASN D 9   ? 0.3507 0.2466 0.2524 -0.0715 -0.0276 -0.0164 23  ASN D O   
2761 C CB  . ASN D 9   ? 0.2980 0.2941 0.1379 0.0415  -0.0124 0.0026  23  ASN D CB  
2762 C CG  . ASN D 9   ? 0.3081 0.3096 0.1839 0.0459  -0.0267 -0.0098 23  ASN D CG  
2763 O OD1 . ASN D 9   ? 0.2563 0.3255 0.2396 -0.0031 -0.0687 -0.0246 23  ASN D OD1 
2764 N ND2 . ASN D 9   ? 0.3418 0.2918 0.2040 0.1097  -0.0363 -0.0019 23  ASN D ND2 
2765 N N   . GLN D 10  ? 0.4062 0.2772 0.2574 -0.0803 -0.0473 -0.0359 24  GLN D N   
2766 C CA  . GLN D 10  ? 0.4325 0.3151 0.3150 -0.0984 -0.0416 -0.0286 24  GLN D CA  
2767 C C   . GLN D 10  ? 0.4572 0.3257 0.3748 -0.1214 -0.0258 -0.0585 24  GLN D C   
2768 O O   . GLN D 10  ? 0.5187 0.3113 0.4684 -0.1887 0.0192  -0.0399 24  GLN D O   
2769 C CB  . GLN D 10  ? 0.4418 0.3271 0.3051 -0.0680 -0.0704 0.0054  24  GLN D CB  
2770 C CG  . GLN D 10  ? 0.4534 0.3476 0.3237 -0.0963 -0.0919 0.0439  24  GLN D CG  
2771 C CD  . GLN D 10  ? 0.3826 0.3874 0.3215 -0.0866 -0.1140 0.0609  24  GLN D CD  
2772 O OE1 . GLN D 10  ? 0.3212 0.3808 0.3063 -0.1098 -0.0837 0.0165  24  GLN D OE1 
2773 N NE2 . GLN D 10  ? 0.3632 0.3942 0.3471 -0.0653 -0.0997 0.1129  24  GLN D NE2 
2774 N N   . LEU D 11  ? 0.4443 0.3465 0.3411 -0.0715 -0.0196 -0.0730 25  LEU D N   
2775 C CA  . LEU D 11  ? 0.4369 0.3658 0.3400 -0.0376 -0.0054 -0.0872 25  LEU D CA  
2776 C C   . LEU D 11  ? 0.4385 0.3840 0.3710 -0.0233 0.0283  -0.0666 25  LEU D C   
2777 O O   . LEU D 11  ? 0.4802 0.4257 0.4237 -0.0156 0.0668  -0.0708 25  LEU D O   
2778 C CB  . LEU D 11  ? 0.4445 0.3681 0.3503 -0.0294 -0.0132 -0.0729 25  LEU D CB  
2779 C CG  . LEU D 11  ? 0.4944 0.3711 0.3692 -0.0389 -0.0073 -0.0845 25  LEU D CG  
2780 C CD1 . LEU D 11  ? 0.5192 0.3690 0.3683 -0.0231 -0.0032 -0.0518 25  LEU D CD1 
2781 C CD2 . LEU D 11  ? 0.5016 0.3645 0.3693 -0.0537 -0.0190 -0.1190 25  LEU D CD2 
2782 N N   . GLY D 12  ? 0.4338 0.3588 0.3331 -0.0522 0.0544  -0.0835 26  GLY D N   
2783 C CA  . GLY D 12  ? 0.4168 0.3582 0.3619 -0.0566 0.0632  -0.0725 26  GLY D CA  
2784 C C   . GLY D 12  ? 0.3827 0.3391 0.3511 -0.0494 0.0656  -0.0701 26  GLY D C   
2785 O O   . GLY D 12  ? 0.3733 0.3535 0.3940 -0.0681 0.0725  -0.0786 26  GLY D O   
2786 N N   . SER D 13  ? 0.2931 0.3234 0.2858 -0.0742 0.0016  -0.0587 27  SER D N   
2787 C CA  . SER D 13  ? 0.2589 0.3129 0.2093 -0.0368 -0.0512 -0.0294 27  SER D CA  
2788 C C   . SER D 13  ? 0.2265 0.3030 0.1954 -0.0195 -0.0399 -0.0284 27  SER D C   
2789 O O   . SER D 13  ? 0.2726 0.3034 0.2411 0.0222  -0.0179 -0.0178 27  SER D O   
2790 C CB  . SER D 13  ? 0.3329 0.3292 0.2048 -0.0138 -0.0621 -0.0139 27  SER D CB  
2791 O OG  . SER D 13  ? 0.3797 0.3484 0.2012 0.0014  -0.0988 -0.0192 27  SER D OG  
2792 N N   . THR D 14  ? 0.2005 0.3043 0.1824 -0.0357 -0.0628 -0.0270 28  THR D N   
2793 C CA  . THR D 14  ? 0.2094 0.3277 0.2274 -0.0416 -0.0274 -0.0126 28  THR D CA  
2794 C C   . THR D 14  ? 0.1916 0.2988 0.2124 -0.0283 -0.0572 -0.0283 28  THR D C   
2795 O O   . THR D 14  ? 0.2612 0.3045 0.2644 -0.0173 -0.0397 -0.0097 28  THR D O   
2796 C CB  . THR D 14  ? 0.2578 0.3834 0.2393 -0.0712 -0.0243 -0.0078 28  THR D CB  
2797 O OG1 . THR D 14  ? 0.2839 0.4238 0.3140 -0.0453 -0.0300 0.0023  28  THR D OG1 
2798 C CG2 . THR D 14  ? 0.2672 0.4039 0.2623 -0.0926 -0.0033 -0.0049 28  THR D CG2 
2799 N N   . PHE D 15  ? 0.2013 0.2727 0.1945 -0.0365 -0.0671 -0.0379 29  PHE D N   
2800 C CA  . PHE D 15  ? 0.2273 0.2734 0.2678 -0.0394 -0.0845 -0.0074 29  PHE D CA  
2801 C C   . PHE D 15  ? 0.2322 0.2621 0.2927 0.0015  -0.1050 -0.0140 29  PHE D C   
2802 O O   . PHE D 15  ? 0.3183 0.2311 0.3060 -0.0027 -0.1407 -0.0133 29  PHE D O   
2803 C CB  . PHE D 15  ? 0.2475 0.3048 0.2764 -0.0127 -0.0308 0.0153  29  PHE D CB  
2804 C CG  . PHE D 15  ? 0.3036 0.3136 0.3109 0.0334  -0.0516 0.0789  29  PHE D CG  
2805 C CD1 . PHE D 15  ? 0.2615 0.3051 0.3497 0.0178  -0.0356 0.1254  29  PHE D CD1 
2806 C CD2 . PHE D 15  ? 0.3435 0.3169 0.3384 0.0319  -0.0483 0.0929  29  PHE D CD2 
2807 C CE1 . PHE D 15  ? 0.2877 0.3014 0.3352 0.0189  -0.0217 0.1307  29  PHE D CE1 
2808 C CE2 . PHE D 15  ? 0.3026 0.3331 0.3067 0.0465  -0.0207 0.1102  29  PHE D CE2 
2809 C CZ  . PHE D 15  ? 0.2911 0.3205 0.2768 0.0256  -0.0510 0.0843  29  PHE D CZ  
2810 N N   . ILE D 16  ? 0.1746 0.2727 0.3486 -0.0214 -0.0469 -0.0041 30  ILE D N   
2811 C CA  . ILE D 16  ? 0.1850 0.2854 0.3405 -0.0287 -0.0083 -0.0434 30  ILE D CA  
2812 C C   . ILE D 16  ? 0.1904 0.2656 0.2958 -0.0544 0.0006  -0.0073 30  ILE D C   
2813 O O   . ILE D 16  ? 0.1973 0.2710 0.3259 -0.0520 -0.0188 0.0014  30  ILE D O   
2814 C CB  . ILE D 16  ? 0.2910 0.3076 0.4233 -0.0243 0.0368  -0.0286 30  ILE D CB  
2815 C CG1 . ILE D 16  ? 0.3774 0.3103 0.4474 -0.0464 0.0858  -0.0204 30  ILE D CG1 
2816 C CG2 . ILE D 16  ? 0.3800 0.3141 0.4743 -0.0256 0.0780  -0.0067 30  ILE D CG2 
2817 C CD1 . ILE D 16  ? 0.4424 0.3193 0.5002 -0.0561 0.0673  -0.0400 30  ILE D CD1 
2818 N N   . VAL D 17  ? 0.1941 0.2668 0.2369 -0.0255 0.0350  0.0197  31  VAL D N   
2819 C CA  . VAL D 17  ? 0.1894 0.2722 0.1896 -0.0503 -0.0112 0.0190  31  VAL D CA  
2820 C C   . VAL D 17  ? 0.2202 0.2787 0.1789 -0.0647 0.0066  -0.0068 31  VAL D C   
2821 O O   . VAL D 17  ? 0.2345 0.2993 0.1949 -0.0707 0.0049  0.0071  31  VAL D O   
2822 C CB  . VAL D 17  ? 0.2361 0.2393 0.1857 -0.0403 -0.0041 0.0380  31  VAL D CB  
2823 C CG1 . VAL D 17  ? 0.2332 0.2166 0.1905 -0.0576 -0.0329 0.0332  31  VAL D CG1 
2824 C CG2 . VAL D 17  ? 0.1914 0.2485 0.2073 -0.0408 -0.0005 0.0414  31  VAL D CG2 
2825 N N   . THR D 18  ? 0.2408 0.2823 0.1934 -0.0498 0.0318  -0.0471 32  THR D N   
2826 C CA  . THR D 18  ? 0.2552 0.2792 0.1739 -0.0507 0.0399  -0.0624 32  THR D CA  
2827 C C   . THR D 18  ? 0.2368 0.2506 0.1718 -0.0499 0.0218  -0.0321 32  THR D C   
2828 O O   . THR D 18  ? 0.2202 0.2389 0.1907 -0.0305 0.0125  -0.0212 32  THR D O   
2829 C CB  . THR D 18  ? 0.2720 0.3066 0.2202 -0.0739 0.0566  -0.0861 32  THR D CB  
2830 O OG1 . THR D 18  ? 0.3288 0.3468 0.2451 -0.0750 0.0913  -0.0569 32  THR D OG1 
2831 C CG2 . THR D 18  ? 0.2695 0.3075 0.2708 -0.0659 0.0234  -0.0854 32  THR D CG2 
2832 N N   . ALA D 19  ? 0.2469 0.2389 0.1841 -0.0455 0.0288  -0.0114 33  ALA D N   
2833 C CA  . ALA D 19  ? 0.2186 0.2535 0.1994 -0.0444 -0.0035 -0.0081 33  ALA D CA  
2834 C C   . ALA D 19  ? 0.2573 0.2763 0.1901 -0.0412 -0.0176 -0.0010 33  ALA D C   
2835 O O   . ALA D 19  ? 0.2704 0.2776 0.2185 -0.0446 -0.0352 0.0458  33  ALA D O   
2836 C CB  . ALA D 19  ? 0.2444 0.2704 0.2284 -0.0613 -0.0326 -0.0130 33  ALA D CB  
2837 N N   . GLY D 20  ? 0.2308 0.2766 0.1792 -0.0520 -0.0043 -0.0288 34  GLY D N   
2838 C CA  . GLY D 20  ? 0.2169 0.3125 0.1823 -0.0545 -0.0198 -0.0040 34  GLY D CA  
2839 C C   . GLY D 20  ? 0.2222 0.3497 0.1825 -0.0537 -0.0117 0.0217  34  GLY D C   
2840 O O   . GLY D 20  ? 0.2383 0.3537 0.1973 -0.0644 0.0048  0.0256  34  GLY D O   
2841 N N   . ALA D 21  ? 0.2464 0.4016 0.2020 -0.0522 -0.0155 0.0107  35  ALA D N   
2842 C CA  . ALA D 21  ? 0.2684 0.4663 0.1964 -0.0676 -0.0272 -0.0071 35  ALA D CA  
2843 C C   . ALA D 21  ? 0.2522 0.5146 0.2334 -0.0841 -0.0326 -0.0199 35  ALA D C   
2844 O O   . ALA D 21  ? 0.2851 0.5592 0.2780 -0.0561 -0.0422 -0.0241 35  ALA D O   
2845 C CB  . ALA D 21  ? 0.2922 0.4788 0.1904 -0.0755 -0.0656 -0.0136 35  ALA D CB  
2846 N N   . ASP D 22  ? 0.2731 0.5060 0.1942 -0.1370 -0.0544 -0.0036 36  ASP D N   
2847 C CA  . ASP D 22  ? 0.3408 0.4920 0.2438 -0.1423 -0.0274 0.0049  36  ASP D CA  
2848 C C   . ASP D 22  ? 0.2947 0.4695 0.1961 -0.1543 -0.0276 -0.0042 36  ASP D C   
2849 O O   . ASP D 22  ? 0.3369 0.4907 0.2023 -0.1900 -0.0133 -0.0006 36  ASP D O   
2850 C CB  . ASP D 22  ? 0.3976 0.4817 0.3820 -0.1269 -0.0125 0.0006  36  ASP D CB  
2851 C CG  . ASP D 22  ? 0.4062 0.4570 0.4912 -0.0968 -0.0165 0.0259  36  ASP D CG  
2852 O OD1 . ASP D 22  ? 0.3450 0.4183 0.4837 -0.1102 -0.0315 0.0068  36  ASP D OD1 
2853 O OD2 . ASP D 22  ? 0.4361 0.4623 0.5431 -0.0688 0.0016  0.0440  36  ASP D OD2 
2854 N N   . GLY D 23  ? 0.2123 0.4030 0.1777 -0.0761 -0.0425 0.0051  37  GLY D N   
2855 C CA  . GLY D 23  ? 0.1603 0.3310 0.1826 -0.0656 -0.0542 0.0147  37  GLY D CA  
2856 C C   . GLY D 23  ? 0.1915 0.2644 0.1416 -0.0514 -0.0531 0.0205  37  GLY D C   
2857 O O   . GLY D 23  ? 0.2216 0.2728 0.1650 -0.0268 -0.0266 0.0092  37  GLY D O   
2858 N N   . ALA D 24  ? 0.2140 0.2419 0.1966 -0.0472 0.0146  -0.0022 38  ALA D N   
2859 C CA  . ALA D 24  ? 0.2111 0.2100 0.2134 -0.0270 -0.0204 -0.0182 38  ALA D CA  
2860 C C   . ALA D 24  ? 0.1924 0.2074 0.1818 -0.0410 -0.0401 0.0020  38  ALA D C   
2861 O O   . ALA D 24  ? 0.2061 0.2259 0.1877 -0.0338 -0.0309 -0.0062 38  ALA D O   
2862 C CB  . ALA D 24  ? 0.1945 0.1764 0.2500 -0.0342 -0.0429 -0.0186 38  ALA D CB  
2863 N N   . LEU D 25  ? 0.1441 0.1922 0.1745 -0.0222 -0.0036 -0.0154 39  LEU D N   
2864 C CA  . LEU D 25  ? 0.1398 0.1862 0.1989 -0.0191 -0.0028 -0.0285 39  LEU D CA  
2865 C C   . LEU D 25  ? 0.1389 0.2028 0.1878 -0.0156 -0.0080 -0.0178 39  LEU D C   
2866 O O   . LEU D 25  ? 0.1827 0.2072 0.1849 -0.0015 0.0053  -0.0058 39  LEU D O   
2867 C CB  . LEU D 25  ? 0.1756 0.1590 0.1832 -0.0120 0.0113  -0.0349 39  LEU D CB  
2868 C CG  . LEU D 25  ? 0.1995 0.1469 0.1788 0.0135  0.0208  0.0084  39  LEU D CG  
2869 C CD1 . LEU D 25  ? 0.1953 0.1615 0.1936 -0.0290 -0.0036 -0.0056 39  LEU D CD1 
2870 C CD2 . LEU D 25  ? 0.2375 0.1440 0.1863 0.0318  -0.0194 0.0333  39  LEU D CD2 
2871 N N   . THR D 26  ? 0.1787 0.2157 0.1843 -0.0054 0.0163  -0.0244 40  THR D N   
2872 C CA  . THR D 26  ? 0.1388 0.2384 0.1772 -0.0267 0.0419  -0.0282 40  THR D CA  
2873 C C   . THR D 26  ? 0.1389 0.2705 0.1650 0.0069  -0.0073 -0.0164 40  THR D C   
2874 O O   . THR D 26  ? 0.1969 0.2760 0.2737 0.0072  -0.0156 0.0313  40  THR D O   
2875 C CB  . THR D 26  ? 0.2366 0.2724 0.1537 -0.0360 0.0470  -0.0090 40  THR D CB  
2876 O OG1 . THR D 26  ? 0.2946 0.3009 0.2015 -0.0455 0.0510  -0.0147 40  THR D OG1 
2877 C CG2 . THR D 26  ? 0.2401 0.2572 0.1459 -0.0274 0.0706  -0.0091 40  THR D CG2 
2878 N N   . GLY D 27  ? 0.1615 0.2822 0.1574 -0.0207 0.0037  -0.0168 41  GLY D N   
2879 C CA  . GLY D 27  ? 0.1612 0.2760 0.2024 -0.0155 0.0028  -0.0232 41  GLY D CA  
2880 C C   . GLY D 27  ? 0.1535 0.2487 0.1808 -0.0290 0.0310  -0.0432 41  GLY D C   
2881 O O   . GLY D 27  ? 0.1829 0.2366 0.1990 -0.0313 0.0313  -0.0298 41  GLY D O   
2882 N N   A THR D 28  ? 0.1588 0.2447 0.1984 -0.0254 0.0391  -0.0573 42  THR D N   
2883 N N   B THR D 28  ? 0.1330 0.2288 0.1762 -0.0240 0.0061  -0.0640 42  THR D N   
2884 C CA  A THR D 28  ? 0.1774 0.2471 0.2236 -0.0211 0.0473  -0.0696 42  THR D CA  
2885 C CA  B THR D 28  ? 0.1441 0.2304 0.1986 -0.0238 -0.0046 -0.0689 42  THR D CA  
2886 C C   A THR D 28  ? 0.1921 0.2385 0.2176 -0.0225 0.0393  -0.0646 42  THR D C   
2887 C C   B THR D 28  ? 0.1808 0.2212 0.2037 -0.0183 -0.0096 -0.0569 42  THR D C   
2888 O O   A THR D 28  ? 0.2256 0.2559 0.2510 -0.0316 0.0457  -0.0620 42  THR D O   
2889 O O   B THR D 28  ? 0.2056 0.2252 0.2339 -0.0379 -0.0638 -0.0415 42  THR D O   
2890 C CB  A THR D 28  ? 0.2086 0.2571 0.2570 -0.0099 0.0481  -0.0749 42  THR D CB  
2891 C CB  B THR D 28  ? 0.1533 0.2400 0.2055 -0.0360 -0.0166 -0.0698 42  THR D CB  
2892 O OG1 A THR D 28  ? 0.2152 0.2583 0.2674 0.0064  0.0590  -0.0688 42  THR D OG1 
2893 O OG1 B THR D 28  ? 0.2334 0.2562 0.2430 0.0042  0.0351  -0.0661 42  THR D OG1 
2894 C CG2 A THR D 28  ? 0.2344 0.2564 0.2725 0.0091  0.0515  -0.0766 42  THR D CG2 
2895 C CG2 B THR D 28  ? 0.1484 0.2331 0.2171 -0.0371 -0.0165 -0.0867 42  THR D CG2 
2896 N N   . TYR D 29  ? 0.1798 0.2225 0.1860 -0.0252 0.0104  -0.0729 43  TYR D N   
2897 C CA  . TYR D 29  ? 0.1699 0.2179 0.1886 -0.0091 -0.0014 -0.0601 43  TYR D CA  
2898 C C   . TYR D 29  ? 0.1829 0.2254 0.2441 0.0346  -0.0201 -0.0285 43  TYR D C   
2899 O O   . TYR D 29  ? 0.1807 0.1956 0.2716 -0.0097 -0.0309 -0.0223 43  TYR D O   
2900 C CB  . TYR D 29  ? 0.2123 0.2142 0.1809 -0.0075 -0.0061 -0.0381 43  TYR D CB  
2901 C CG  . TYR D 29  ? 0.2353 0.2291 0.1751 -0.0065 0.0032  -0.0322 43  TYR D CG  
2902 C CD1 . TYR D 29  ? 0.2854 0.2414 0.1948 -0.0210 -0.0124 -0.0272 43  TYR D CD1 
2903 C CD2 . TYR D 29  ? 0.2528 0.2229 0.1825 0.0026  0.0174  -0.0202 43  TYR D CD2 
2904 C CE1 . TYR D 29  ? 0.3166 0.2368 0.2038 -0.0449 0.0102  -0.0317 43  TYR D CE1 
2905 C CE2 . TYR D 29  ? 0.2935 0.2194 0.1628 -0.0242 0.0382  -0.0207 43  TYR D CE2 
2906 C CZ  . TYR D 29  ? 0.3400 0.2185 0.1915 -0.0635 0.0240  -0.0169 43  TYR D CZ  
2907 O OH  . TYR D 29  ? 0.3862 0.2134 0.2064 -0.0738 0.0269  -0.0309 43  TYR D OH  
2908 N N   . GLU D 30  ? 0.2063 0.2438 0.2573 0.0404  -0.0344 -0.0275 44  GLU D N   
2909 C CA  . GLU D 30  ? 0.1816 0.2786 0.3003 0.0499  -0.0113 -0.0274 44  GLU D CA  
2910 C C   . GLU D 30  ? 0.1663 0.3162 0.3984 0.0240  -0.0146 -0.0113 44  GLU D C   
2911 O O   . GLU D 30  ? 0.1895 0.3051 0.3625 0.0043  0.0063  -0.0246 44  GLU D O   
2912 C CB  . GLU D 30  ? 0.2915 0.3387 0.3499 0.0544  0.0294  0.0047  44  GLU D CB  
2913 C CG  . GLU D 30  ? 0.3762 0.3751 0.3845 0.0415  0.0543  0.0149  44  GLU D CG  
2914 C CD  . GLU D 30  ? 0.5128 0.4134 0.4321 0.0112  0.0764  0.0101  44  GLU D CD  
2915 O OE1 . GLU D 30  ? 0.6078 0.4282 0.4611 0.0091  0.0933  -0.0028 44  GLU D OE1 
2916 O OE2 . GLU D 30  ? 0.5794 0.4492 0.4476 -0.0007 0.1171  0.0146  44  GLU D OE2 
2917 N N   . SER D 31  ? 0.2211 0.3297 0.4759 -0.0050 -0.0430 -0.0056 45  SER D N   
2918 C CA  . SER D 31  ? 0.2666 0.3671 0.5378 -0.0519 -0.0600 -0.0216 45  SER D CA  
2919 C C   . SER D 31  ? 0.3218 0.3955 0.5831 -0.0489 -0.0610 -0.0147 45  SER D C   
2920 O O   . SER D 31  ? 0.3270 0.4167 0.6027 -0.0565 -0.0622 -0.0038 45  SER D O   
2921 C CB  . SER D 31  ? 0.3222 0.3880 0.5561 -0.0219 -0.0608 -0.0245 45  SER D CB  
2922 O OG  . SER D 31  ? 0.3654 0.4033 0.5872 -0.0484 -0.0538 -0.0205 45  SER D OG  
2923 N N   . ALA D 32  ? 0.3761 0.4071 0.6352 -0.0409 -0.0060 0.0054  46  ALA D N   
2924 C CA  . ALA D 32  ? 0.4188 0.4185 0.6645 -0.0371 0.0150  0.0155  46  ALA D CA  
2925 C C   . ALA D 32  ? 0.4756 0.4355 0.6918 -0.0449 0.0047  -0.0029 46  ALA D C   
2926 O O   . ALA D 32  ? 0.5031 0.4401 0.7195 -0.0443 -0.0034 -0.0106 46  ALA D O   
2927 C CB  . ALA D 32  ? 0.4113 0.4133 0.6719 -0.0398 0.0197  0.0335  46  ALA D CB  
2928 N N   . VAL D 33  ? 0.4775 0.4507 0.6953 -0.0512 -0.0112 -0.0151 47  VAL D N   
2929 C CA  . VAL D 33  ? 0.5075 0.4678 0.7085 -0.0608 0.0163  -0.0278 47  VAL D CA  
2930 C C   . VAL D 33  ? 0.5132 0.4881 0.6843 -0.0497 0.0435  -0.0235 47  VAL D C   
2931 O O   . VAL D 33  ? 0.5314 0.5017 0.6511 -0.0483 0.0617  -0.0015 47  VAL D O   
2932 C CB  . VAL D 33  ? 0.4952 0.4718 0.7338 -0.0730 0.0001  -0.0399 47  VAL D CB  
2933 C CG1 . VAL D 33  ? 0.4964 0.4777 0.7680 -0.0824 0.0124  -0.0361 47  VAL D CG1 
2934 C CG2 . VAL D 33  ? 0.4858 0.4714 0.7218 -0.0717 -0.0076 -0.0435 47  VAL D CG2 
2935 N N   . GLY D 34  ? 0.5364 0.4864 0.6679 -0.0247 0.0692  -0.0356 48  GLY D N   
2936 C CA  . GLY D 34  ? 0.4922 0.4719 0.6322 0.0029  0.0705  -0.0372 48  GLY D CA  
2937 C C   . GLY D 34  ? 0.3923 0.4613 0.5677 0.0367  0.0659  -0.0414 48  GLY D C   
2938 O O   . GLY D 34  ? 0.4291 0.4889 0.5734 0.0738  0.0545  -0.0322 48  GLY D O   
2939 N N   . ASN D 35  ? 0.2693 0.4305 0.4871 -0.0036 0.0548  -0.0405 49  ASN D N   
2940 C CA  . ASN D 35  ? 0.2163 0.3918 0.4540 -0.0179 -0.0062 -0.0255 49  ASN D CA  
2941 C C   . ASN D 35  ? 0.2542 0.3642 0.4286 -0.0034 0.0105  -0.0165 49  ASN D C   
2942 O O   . ASN D 35  ? 0.2301 0.3632 0.4246 -0.0237 -0.0306 0.0172  49  ASN D O   
2943 C CB  . ASN D 35  ? 0.2483 0.3957 0.4835 -0.0152 0.0125  -0.0386 49  ASN D CB  
2944 C CG  . ASN D 35  ? 0.2984 0.3908 0.4889 -0.0031 -0.0123 -0.0528 49  ASN D CG  
2945 O OD1 . ASN D 35  ? 0.3342 0.3849 0.4856 -0.0045 -0.0068 -0.0675 49  ASN D OD1 
2946 N ND2 . ASN D 35  ? 0.2862 0.3862 0.5168 0.0320  -0.0114 -0.0333 49  ASN D ND2 
2947 N N   . ALA D 36  ? 0.2737 0.3396 0.3989 0.0060  0.0480  -0.0322 50  ALA D N   
2948 C CA  . ALA D 36  ? 0.2668 0.3224 0.3694 0.0112  0.0664  -0.0544 50  ALA D CA  
2949 C C   . ALA D 36  ? 0.1910 0.3006 0.3638 0.0266  0.0341  -0.0504 50  ALA D C   
2950 O O   . ALA D 36  ? 0.2106 0.3007 0.3591 0.0641  0.0071  -0.0379 50  ALA D O   
2951 C CB  . ALA D 36  ? 0.3511 0.3253 0.3581 0.0124  0.1071  -0.0567 50  ALA D CB  
2952 N N   . GLU D 37  ? 0.1797 0.2769 0.3760 0.0418  0.0195  -0.0410 51  GLU D N   
2953 C CA  . GLU D 37  ? 0.1310 0.2943 0.4035 0.0348  -0.0447 -0.0209 51  GLU D CA  
2954 C C   . GLU D 37  ? 0.1362 0.2973 0.3848 0.0306  -0.0093 -0.0056 51  GLU D C   
2955 O O   . GLU D 37  ? 0.1903 0.2947 0.3904 0.0146  -0.0216 0.0112  51  GLU D O   
2956 C CB  . GLU D 37  ? 0.1196 0.3318 0.4536 0.0207  -0.0310 -0.0214 51  GLU D CB  
2957 C CG  . GLU D 37  ? 0.1682 0.3631 0.4916 0.0227  -0.0029 -0.0302 51  GLU D CG  
2958 C CD  . GLU D 37  ? 0.1755 0.3953 0.5069 -0.0132 0.0050  -0.0508 51  GLU D CD  
2959 O OE1 . GLU D 37  ? 0.1692 0.4026 0.5396 -0.0589 -0.0259 -0.0233 51  GLU D OE1 
2960 O OE2 . GLU D 37  ? 0.2337 0.4057 0.4729 -0.0160 0.0261  -0.1097 51  GLU D OE2 
2961 N N   . SER D 38  ? 0.1545 0.2959 0.3506 0.0043  -0.0433 -0.0026 52  SER D N   
2962 C CA  . SER D 38  ? 0.1676 0.3062 0.3135 0.0331  -0.0280 -0.0054 52  SER D CA  
2963 C C   . SER D 38  ? 0.1590 0.3028 0.2644 0.0496  -0.0456 -0.0075 52  SER D C   
2964 O O   . SER D 38  ? 0.1761 0.2983 0.2610 0.0590  -0.0281 -0.0212 52  SER D O   
2965 C CB  . SER D 38  ? 0.2327 0.3440 0.3844 0.0515  0.0172  0.0004  52  SER D CB  
2966 O OG  . SER D 38  ? 0.2763 0.3690 0.4625 0.0334  0.0830  -0.0215 52  SER D OG  
2967 N N   . ARG D 39  ? 0.1808 0.2999 0.2427 0.0243  -0.0032 -0.0001 53  ARG D N   
2968 C CA  . ARG D 39  ? 0.1401 0.3043 0.2346 0.0106  -0.0445 -0.0201 53  ARG D CA  
2969 C C   . ARG D 39  ? 0.1332 0.2704 0.2145 0.0157  -0.0356 -0.0187 53  ARG D C   
2970 O O   . ARG D 39  ? 0.1697 0.2618 0.2145 0.0048  -0.0042 -0.0280 53  ARG D O   
2971 C CB  . ARG D 39  ? 0.2240 0.3673 0.2194 0.0349  -0.0032 -0.0216 53  ARG D CB  
2972 C CG  . ARG D 39  ? 0.3130 0.4181 0.2795 0.0468  -0.0237 -0.0178 53  ARG D CG  
2973 C CD  . ARG D 39  ? 0.4358 0.4669 0.3327 0.0689  0.0033  0.0021  53  ARG D CD  
2974 N NE  . ARG D 39  ? 0.5189 0.5155 0.4009 0.0643  0.0415  0.0077  53  ARG D NE  
2975 C CZ  . ARG D 39  ? 0.5691 0.5627 0.4628 0.0371  0.0547  0.0180  53  ARG D CZ  
2976 N NH1 . ARG D 39  ? 0.5652 0.5780 0.4738 0.0133  0.0217  0.0182  53  ARG D NH1 
2977 N NH2 . ARG D 39  ? 0.6022 0.5869 0.4886 0.0302  0.0805  0.0198  53  ARG D NH2 
2978 N N   . TYR D 40  ? 0.1205 0.2370 0.2183 0.0041  0.0281  -0.0359 54  TYR D N   
2979 C CA  . TYR D 40  ? 0.1425 0.2126 0.1903 -0.0163 0.0144  -0.0632 54  TYR D CA  
2980 C C   . TYR D 40  ? 0.1753 0.2144 0.1852 0.0065  -0.0018 -0.0444 54  TYR D C   
2981 O O   . TYR D 40  ? 0.1862 0.1792 0.2085 -0.0033 0.0148  -0.0406 54  TYR D O   
2982 C CB  . TYR D 40  ? 0.1858 0.2075 0.1701 0.0152  0.0063  -0.0604 54  TYR D CB  
2983 C CG  . TYR D 40  ? 0.1520 0.1995 0.1808 0.0023  -0.0308 -0.0646 54  TYR D CG  
2984 C CD1 . TYR D 40  ? 0.1282 0.2115 0.2138 0.0134  -0.0224 -0.0501 54  TYR D CD1 
2985 C CD2 . TYR D 40  ? 0.1700 0.2266 0.2020 0.0561  -0.0051 -0.0678 54  TYR D CD2 
2986 C CE1 . TYR D 40  ? 0.1524 0.2248 0.2391 0.0152  -0.0161 -0.0451 54  TYR D CE1 
2987 C CE2 . TYR D 40  ? 0.1466 0.2393 0.2225 0.0230  -0.0128 -0.0512 54  TYR D CE2 
2988 C CZ  . TYR D 40  ? 0.1555 0.2629 0.2600 0.0124  -0.0244 -0.0433 54  TYR D CZ  
2989 O OH  . TYR D 40  ? 0.1656 0.3133 0.2954 0.0068  -0.0234 -0.0137 54  TYR D OH  
2990 N N   . VAL D 41  ? 0.1450 0.2372 0.1702 -0.0154 0.0026  -0.0470 55  VAL D N   
2991 C CA  . VAL D 41  ? 0.1518 0.2445 0.1856 -0.0213 -0.0001 -0.0437 55  VAL D CA  
2992 C C   . VAL D 41  ? 0.1528 0.2762 0.1798 0.0143  0.0214  -0.0486 55  VAL D C   
2993 O O   . VAL D 41  ? 0.1674 0.2930 0.1818 -0.0180 0.0009  -0.0509 55  VAL D O   
2994 C CB  . VAL D 41  ? 0.1771 0.2460 0.1791 -0.0060 -0.0014 -0.0258 55  VAL D CB  
2995 C CG1 . VAL D 41  ? 0.2014 0.2651 0.2095 0.0035  0.0175  -0.0115 55  VAL D CG1 
2996 C CG2 . VAL D 41  ? 0.2414 0.2558 0.1595 0.0089  0.0344  -0.0711 55  VAL D CG2 
2997 N N   . LEU D 42  ? 0.1175 0.2895 0.2076 0.0699  0.0050  -0.0665 56  LEU D N   
2998 C CA  . LEU D 42  ? 0.1273 0.3142 0.2693 0.0311  -0.0299 -0.0757 56  LEU D CA  
2999 C C   . LEU D 42  ? 0.1495 0.2916 0.2162 0.0274  -0.0117 -0.0677 56  LEU D C   
3000 O O   . LEU D 42  ? 0.1694 0.3284 0.2164 0.0475  -0.0120 -0.0887 56  LEU D O   
3001 C CB  . LEU D 42  ? 0.2417 0.3506 0.3580 0.0230  -0.0140 -0.0813 56  LEU D CB  
3002 C CG  . LEU D 42  ? 0.2215 0.3737 0.3664 -0.0166 -0.0167 -0.0348 56  LEU D CG  
3003 C CD1 . LEU D 42  ? 0.1560 0.3863 0.3206 -0.0273 -0.0082 -0.0221 56  LEU D CD1 
3004 C CD2 . LEU D 42  ? 0.2479 0.3840 0.3993 -0.0563 0.0133  -0.0188 56  LEU D CD2 
3005 N N   A THR D 43  ? 0.1539 0.2530 0.2157 0.0343  0.0024  -0.0510 57  THR D N   
3006 N N   B THR D 43  ? 0.1696 0.2683 0.2167 0.0541  0.0160  -0.0588 57  THR D N   
3007 C CA  A THR D 43  ? 0.1632 0.1958 0.2126 0.0131  0.0123  -0.0436 57  THR D CA  
3008 C CA  B THR D 43  ? 0.1926 0.2163 0.1927 0.0356  0.0233  -0.0504 57  THR D CA  
3009 C C   A THR D 43  ? 0.1570 0.1818 0.1943 -0.0052 -0.0008 -0.0385 57  THR D C   
3010 C C   B THR D 43  ? 0.1774 0.1844 0.1931 0.0073  0.0119  -0.0263 57  THR D C   
3011 O O   A THR D 43  ? 0.1325 0.1880 0.1828 -0.0116 -0.0093 -0.0460 57  THR D O   
3012 O O   B THR D 43  ? 0.1582 0.1808 0.1995 0.0216  0.0062  -0.0155 57  THR D O   
3013 C CB  A THR D 43  ? 0.2177 0.1685 0.2349 0.0139  0.0314  -0.0279 57  THR D CB  
3014 C CB  B THR D 43  ? 0.2941 0.2266 0.2105 0.0508  0.0488  -0.0316 57  THR D CB  
3015 O OG1 A THR D 43  ? 0.2600 0.1608 0.2815 -0.0009 0.0633  -0.0006 57  THR D OG1 
3016 O OG1 B THR D 43  ? 0.2702 0.2348 0.1890 0.0428  0.0600  0.0071  57  THR D OG1 
3017 C CG2 A THR D 43  ? 0.1874 0.1448 0.1951 0.0138  0.0039  -0.0381 57  THR D CG2 
3018 C CG2 B THR D 43  ? 0.3253 0.2267 0.2703 0.0379  0.0615  -0.0220 57  THR D CG2 
3019 N N   . GLY D 44  ? 0.1637 0.1681 0.1855 0.0131  -0.0138 -0.0327 58  GLY D N   
3020 C CA  . GLY D 44  ? 0.1433 0.1868 0.1812 0.0196  -0.0172 -0.0255 58  GLY D CA  
3021 C C   . GLY D 44  ? 0.1483 0.1760 0.1714 0.0018  -0.0116 -0.0277 58  GLY D C   
3022 O O   . GLY D 44  ? 0.1798 0.1873 0.1486 -0.0229 -0.0066 -0.0124 58  GLY D O   
3023 N N   . ARG D 45  ? 0.1239 0.1372 0.1619 -0.0178 -0.0050 -0.0066 59  ARG D N   
3024 C CA  . ARG D 45  ? 0.1595 0.1537 0.1792 0.0002  0.0129  0.0080  59  ARG D CA  
3025 C C   . ARG D 45  ? 0.1309 0.1581 0.1639 -0.0103 -0.0292 -0.0157 59  ARG D C   
3026 O O   . ARG D 45  ? 0.1793 0.1956 0.1685 -0.0394 -0.0361 -0.0273 59  ARG D O   
3027 C CB  . ARG D 45  ? 0.1430 0.1745 0.1775 -0.0265 0.0034  0.0057  59  ARG D CB  
3028 C CG  . ARG D 45  ? 0.1575 0.1980 0.1778 -0.0458 0.0032  -0.0209 59  ARG D CG  
3029 C CD  . ARG D 45  ? 0.1667 0.2100 0.1867 -0.0340 -0.0279 -0.0077 59  ARG D CD  
3030 N NE  . ARG D 45  ? 0.1602 0.2216 0.1763 -0.0084 -0.0365 -0.0074 59  ARG D NE  
3031 C CZ  . ARG D 45  ? 0.1766 0.2279 0.1848 -0.0099 -0.0220 -0.0241 59  ARG D CZ  
3032 N NH1 . ARG D 45  ? 0.2308 0.2241 0.1910 -0.0037 -0.0126 -0.0440 59  ARG D NH1 
3033 N NH2 . ARG D 45  ? 0.2072 0.2398 0.2114 -0.0311 0.0059  -0.0070 59  ARG D NH2 
3034 N N   . TYR D 46  ? 0.1651 0.1704 0.1973 -0.0254 -0.0138 -0.0146 60  TYR D N   
3035 C CA  . TYR D 46  ? 0.1539 0.1917 0.1654 -0.0248 -0.0163 0.0054  60  TYR D CA  
3036 C C   . TYR D 46  ? 0.1206 0.1922 0.2053 -0.0075 -0.0578 0.0261  60  TYR D C   
3037 O O   . TYR D 46  ? 0.1821 0.2198 0.2116 -0.0251 -0.0303 0.0283  60  TYR D O   
3038 C CB  . TYR D 46  ? 0.1979 0.2216 0.1606 -0.0493 -0.0260 0.0112  60  TYR D CB  
3039 C CG  . TYR D 46  ? 0.1617 0.2351 0.1686 -0.0518 -0.0366 0.0147  60  TYR D CG  
3040 C CD1 . TYR D 46  ? 0.1804 0.2408 0.1717 -0.0305 -0.0042 0.0228  60  TYR D CD1 
3041 C CD2 . TYR D 46  ? 0.1590 0.2446 0.1928 -0.0362 -0.0224 0.0512  60  TYR D CD2 
3042 C CE1 . TYR D 46  ? 0.1855 0.2364 0.1725 -0.0498 0.0156  0.0109  60  TYR D CE1 
3043 C CE2 . TYR D 46  ? 0.1720 0.2578 0.1954 -0.0284 -0.0187 0.0136  60  TYR D CE2 
3044 C CZ  . TYR D 46  ? 0.1896 0.2586 0.1762 -0.0597 -0.0333 0.0049  60  TYR D CZ  
3045 O OH  . TYR D 46  ? 0.2339 0.2889 0.1879 -0.0634 -0.0520 0.0077  60  TYR D OH  
3046 N N   . ASP D 47  ? 0.1260 0.2152 0.2259 0.0308  -0.0300 0.0353  61  ASP D N   
3047 C CA  . ASP D 47  ? 0.1476 0.2052 0.1814 0.0445  -0.0123 0.0139  61  ASP D CA  
3048 C C   . ASP D 47  ? 0.2111 0.2231 0.1840 0.0205  -0.0164 0.0067  61  ASP D C   
3049 O O   . ASP D 47  ? 0.2091 0.1906 0.1992 -0.0065 -0.0467 0.0145  61  ASP D O   
3050 C CB  . ASP D 47  ? 0.1445 0.2312 0.2075 0.0736  -0.0094 -0.0025 61  ASP D CB  
3051 C CG  . ASP D 47  ? 0.1896 0.2398 0.2144 0.0203  -0.0268 -0.0050 61  ASP D CG  
3052 O OD1 . ASP D 47  ? 0.1544 0.2448 0.2210 0.0060  -0.0331 -0.0365 61  ASP D OD1 
3053 O OD2 . ASP D 47  ? 0.2034 0.2245 0.2105 0.0073  -0.0327 0.0103  61  ASP D OD2 
3054 N N   . SER D 48  ? 0.1980 0.2377 0.1833 0.0014  -0.0380 -0.0071 62  SER D N   
3055 C CA  . SER D 48  ? 0.2203 0.2745 0.1861 0.0094  -0.0569 -0.0008 62  SER D CA  
3056 C C   . SER D 48  ? 0.2100 0.3078 0.2160 0.0137  -0.0434 0.0051  62  SER D C   
3057 O O   . SER D 48  ? 0.2500 0.3482 0.2111 0.0469  -0.0631 0.0033  62  SER D O   
3058 C CB  . SER D 48  ? 0.2548 0.2823 0.2179 -0.0504 -0.0289 -0.0386 62  SER D CB  
3059 O OG  . SER D 48  ? 0.3242 0.2888 0.2644 -0.0849 -0.0036 -0.0412 62  SER D OG  
3060 N N   . ALA D 49  ? 0.1657 0.2948 0.2550 0.0255  -0.0472 -0.0124 63  ALA D N   
3061 C CA  . ALA D 49  ? 0.1662 0.2962 0.2681 0.0093  -0.0479 -0.0026 63  ALA D CA  
3062 C C   . ALA D 49  ? 0.2050 0.2825 0.2636 0.0246  -0.0279 0.0260  63  ALA D C   
3063 O O   . ALA D 49  ? 0.1676 0.2803 0.2627 0.0375  -0.0453 0.0141  63  ALA D O   
3064 C CB  . ALA D 49  ? 0.2071 0.3040 0.2796 -0.0025 -0.0619 -0.0139 63  ALA D CB  
3065 N N   . PRO D 50  ? 0.2247 0.2978 0.2392 0.0095  -0.0304 0.0179  64  PRO D N   
3066 C CA  . PRO D 50  ? 0.2402 0.2812 0.2573 -0.0078 -0.0136 0.0134  64  PRO D CA  
3067 C C   . PRO D 50  ? 0.2637 0.2924 0.2727 0.0192  -0.0454 0.0254  64  PRO D C   
3068 O O   . PRO D 50  ? 0.2714 0.3004 0.2592 0.0299  -0.0788 0.0455  64  PRO D O   
3069 C CB  . PRO D 50  ? 0.2332 0.2695 0.2388 -0.0241 -0.0022 0.0318  64  PRO D CB  
3070 C CG  . PRO D 50  ? 0.2332 0.2787 0.2370 -0.0319 -0.0439 0.0260  64  PRO D CG  
3071 C CD  . PRO D 50  ? 0.2364 0.2966 0.2366 -0.0238 -0.0242 0.0127  64  PRO D CD  
3072 N N   . ALA D 51  ? 0.2681 0.2754 0.2842 0.0592  -0.0449 0.0490  65  ALA D N   
3073 C CA  . ALA D 51  ? 0.3196 0.2718 0.2784 0.0429  -0.0492 0.0578  65  ALA D CA  
3074 C C   . ALA D 51  ? 0.3797 0.2756 0.2906 0.0080  -0.0677 0.0705  65  ALA D C   
3075 O O   . ALA D 51  ? 0.4015 0.2709 0.2987 0.0122  -0.0446 0.0723  65  ALA D O   
3076 C CB  . ALA D 51  ? 0.3272 0.2704 0.2404 0.0705  -0.0590 0.0499  65  ALA D CB  
3077 N N   . THR D 52  ? 0.4318 0.2867 0.3560 0.0327  -0.1071 0.1083  66  THR D N   
3078 C CA  . THR D 52  ? 0.4919 0.3327 0.4196 0.0347  -0.1377 0.1172  66  THR D CA  
3079 C C   . THR D 52  ? 0.4988 0.3486 0.4583 0.0569  -0.1491 0.1539  66  THR D C   
3080 O O   . THR D 52  ? 0.5318 0.3686 0.4968 0.0698  -0.1429 0.1548  66  THR D O   
3081 C CB  . THR D 52  ? 0.5064 0.3493 0.4353 0.0239  -0.1671 0.0922  66  THR D CB  
3082 O OG1 . THR D 52  ? 0.5140 0.3579 0.4952 -0.0010 -0.1534 0.1008  66  THR D OG1 
3083 C CG2 . THR D 52  ? 0.5262 0.3516 0.3817 0.0239  -0.1900 0.0720  66  THR D CG2 
3084 N N   . ASP D 53  ? 0.4817 0.3537 0.4620 0.0537  -0.1388 0.1312  67  ASP D N   
3085 C CA  . ASP D 53  ? 0.4359 0.3616 0.4752 0.0658  -0.1071 0.1310  67  ASP D CA  
3086 C C   . ASP D 53  ? 0.4290 0.3757 0.4941 0.0770  -0.1091 0.1062  67  ASP D C   
3087 O O   . ASP D 53  ? 0.4646 0.3950 0.5437 0.1051  -0.0596 0.0825  67  ASP D O   
3088 C CB  . ASP D 53  ? 0.4020 0.3564 0.4723 0.0659  -0.0583 0.1284  67  ASP D CB  
3089 C CG  . ASP D 53  ? 0.3623 0.3628 0.4661 0.0483  -0.0232 0.1067  67  ASP D CG  
3090 O OD1 . ASP D 53  ? 0.3059 0.3525 0.4496 0.0507  -0.0132 0.1079  67  ASP D OD1 
3091 O OD2 . ASP D 53  ? 0.3838 0.3749 0.4908 0.0466  0.0087  0.0850  67  ASP D OD2 
3092 N N   . GLY D 54  ? 0.3827 0.3593 0.4488 0.0765  -0.1246 0.1339  68  GLY D N   
3093 C CA  . GLY D 54  ? 0.3553 0.3546 0.3773 0.0743  -0.1299 0.1405  68  GLY D CA  
3094 C C   . GLY D 54  ? 0.3348 0.3318 0.3592 0.0552  -0.1096 0.1407  68  GLY D C   
3095 O O   . GLY D 54  ? 0.3791 0.3381 0.3752 0.0052  -0.0677 0.1396  68  GLY D O   
3096 N N   . SER D 55  ? 0.3252 0.2914 0.2975 0.0529  -0.0539 0.1248  69  SER D N   
3097 C CA  . SER D 55  ? 0.2982 0.2723 0.2740 0.0718  -0.0322 0.0801  69  SER D CA  
3098 C C   . SER D 55  ? 0.2552 0.2424 0.2433 0.0511  -0.0202 0.0475  69  SER D C   
3099 O O   . SER D 55  ? 0.3358 0.2416 0.2439 0.0458  -0.0499 0.0144  69  SER D O   
3100 C CB  . SER D 55  ? 0.3141 0.2943 0.2793 0.0576  0.0036  0.0480  69  SER D CB  
3101 O OG  . SER D 55  ? 0.3189 0.3067 0.2899 0.0149  -0.0037 0.0135  69  SER D OG  
3102 N N   . GLY D 56  ? 0.2118 0.2268 0.2159 0.0365  -0.0254 0.0438  70  GLY D N   
3103 C CA  . GLY D 56  ? 0.2260 0.2028 0.2159 0.0026  0.0045  0.0240  70  GLY D CA  
3104 C C   . GLY D 56  ? 0.2058 0.1995 0.1893 -0.0104 -0.0041 0.0334  70  GLY D C   
3105 O O   . GLY D 56  ? 0.1942 0.2251 0.1895 0.0030  -0.0165 0.0379  70  GLY D O   
3106 N N   . THR D 57  ? 0.1983 0.1963 0.1636 -0.0035 -0.0261 0.0314  71  THR D N   
3107 C CA  . THR D 57  ? 0.2031 0.1999 0.1519 -0.0124 -0.0361 0.0576  71  THR D CA  
3108 C C   . THR D 57  ? 0.1978 0.1838 0.1474 0.0060  -0.0382 0.0502  71  THR D C   
3109 O O   . THR D 57  ? 0.2034 0.1972 0.1852 0.0183  -0.0344 0.0344  71  THR D O   
3110 C CB  . THR D 57  ? 0.2190 0.2129 0.1528 -0.0380 -0.0392 0.0420  71  THR D CB  
3111 O OG1 . THR D 57  ? 0.2467 0.2422 0.1672 -0.0058 -0.0339 0.0241  71  THR D OG1 
3112 C CG2 . THR D 57  ? 0.2557 0.2045 0.1668 -0.0600 -0.0053 0.0358  71  THR D CG2 
3113 N N   . ALA D 58  ? 0.1832 0.1606 0.1602 0.0150  -0.0039 0.0412  72  ALA D N   
3114 C CA  . ALA D 58  ? 0.1909 0.1444 0.1539 0.0318  0.0091  0.0572  72  ALA D CA  
3115 C C   . ALA D 58  ? 0.1643 0.1740 0.1661 -0.0073 -0.0238 0.0312  72  ALA D C   
3116 O O   . ALA D 58  ? 0.1634 0.2002 0.1911 -0.0194 -0.0324 0.0309  72  ALA D O   
3117 C CB  . ALA D 58  ? 0.2068 0.1477 0.1748 0.0233  -0.0043 0.0164  72  ALA D CB  
3118 N N   . LEU D 59  ? 0.1570 0.1717 0.1928 0.0100  -0.0356 0.0554  73  LEU D N   
3119 C CA  . LEU D 59  ? 0.1488 0.2013 0.1738 -0.0084 -0.0164 0.0491  73  LEU D CA  
3120 C C   . LEU D 59  ? 0.1510 0.1813 0.1753 0.0035  -0.0267 0.0002  73  LEU D C   
3121 O O   . LEU D 59  ? 0.1927 0.1682 0.2162 0.0080  -0.0655 -0.0124 73  LEU D O   
3122 C CB  . LEU D 59  ? 0.1771 0.2651 0.1791 -0.0760 0.0071  0.0567  73  LEU D CB  
3123 C CG  . LEU D 59  ? 0.2448 0.3366 0.1893 -0.1162 -0.0053 0.0774  73  LEU D CG  
3124 C CD1 . LEU D 59  ? 0.3025 0.3527 0.2192 -0.0984 -0.0019 0.0663  73  LEU D CD1 
3125 C CD2 . LEU D 59  ? 0.2752 0.3596 0.1616 -0.1526 -0.0087 0.0671  73  LEU D CD2 
3126 N N   . GLY D 60  ? 0.1325 0.1908 0.1615 -0.0092 -0.0211 0.0009  74  GLY D N   
3127 C CA  . GLY D 60  ? 0.1223 0.1767 0.1629 -0.0007 0.0037  -0.0048 74  GLY D CA  
3128 C C   . GLY D 60  ? 0.0933 0.1708 0.1432 -0.0013 -0.0012 0.0196  74  GLY D C   
3129 O O   . GLY D 60  ? 0.1310 0.1921 0.1699 0.0032  -0.0270 -0.0164 74  GLY D O   
3130 N N   . TRP D 61  ? 0.1402 0.1777 0.1305 -0.0052 0.0013  0.0007  75  TRP D N   
3131 C CA  . TRP D 61  ? 0.1419 0.1733 0.1365 0.0076  -0.0136 -0.0143 75  TRP D CA  
3132 C C   . TRP D 61  ? 0.1512 0.1714 0.1226 0.0135  0.0288  -0.0345 75  TRP D C   
3133 O O   . TRP D 61  ? 0.1663 0.1502 0.1588 0.0185  0.0176  -0.0296 75  TRP D O   
3134 C CB  . TRP D 61  ? 0.1431 0.1629 0.1449 -0.0020 0.0144  -0.0057 75  TRP D CB  
3135 C CG  . TRP D 61  ? 0.1385 0.1736 0.1486 -0.0087 0.0093  0.0139  75  TRP D CG  
3136 C CD1 . TRP D 61  ? 0.1827 0.1965 0.1911 -0.0329 -0.0097 0.0226  75  TRP D CD1 
3137 C CD2 . TRP D 61  ? 0.1574 0.1704 0.1410 -0.0174 0.0050  0.0105  75  TRP D CD2 
3138 N NE1 . TRP D 61  ? 0.1759 0.1742 0.1800 -0.0359 -0.0235 0.0375  75  TRP D NE1 
3139 C CE2 . TRP D 61  ? 0.1596 0.1750 0.1415 -0.0071 -0.0112 0.0129  75  TRP D CE2 
3140 C CE3 . TRP D 61  ? 0.1744 0.1819 0.1489 -0.0244 -0.0009 0.0198  75  TRP D CE3 
3141 C CZ2 . TRP D 61  ? 0.2214 0.2157 0.1145 0.0060  0.0056  -0.0164 75  TRP D CZ2 
3142 C CZ3 . TRP D 61  ? 0.2147 0.2027 0.1914 -0.0145 0.0119  0.0081  75  TRP D CZ3 
3143 C CH2 . TRP D 61  ? 0.2564 0.2124 0.1387 0.0001  0.0172  -0.0038 75  TRP D CH2 
3144 N N   . THR D 62  ? 0.1472 0.1780 0.1475 0.0336  0.0261  -0.0251 76  THR D N   
3145 C CA  . THR D 62  ? 0.1470 0.1804 0.1429 0.0231  0.0111  -0.0020 76  THR D CA  
3146 C C   . THR D 62  ? 0.1559 0.1966 0.1504 0.0121  0.0173  -0.0211 76  THR D C   
3147 O O   . THR D 62  ? 0.1746 0.2097 0.1359 0.0303  0.0093  -0.0379 76  THR D O   
3148 C CB  . THR D 62  ? 0.1234 0.1617 0.1509 0.0230  -0.0052 0.0095  76  THR D CB  
3149 O OG1 . THR D 62  ? 0.1536 0.1709 0.1597 0.0213  0.0301  0.0019  76  THR D OG1 
3150 C CG2 . THR D 62  ? 0.1720 0.1659 0.1760 0.0477  -0.0125 0.0050  76  THR D CG2 
3151 N N   . VAL D 63  ? 0.1146 0.1879 0.1772 0.0226  0.0068  -0.0297 77  VAL D N   
3152 C CA  . VAL D 63  ? 0.1450 0.1801 0.1613 0.0219  0.0096  -0.0372 77  VAL D CA  
3153 C C   . VAL D 63  ? 0.1620 0.1786 0.1670 0.0584  -0.0078 -0.0590 77  VAL D C   
3154 O O   . VAL D 63  ? 0.2193 0.2068 0.1982 0.0704  -0.0011 -0.0506 77  VAL D O   
3155 C CB  . VAL D 63  ? 0.1345 0.2014 0.2122 0.0073  0.0172  -0.0419 77  VAL D CB  
3156 C CG1 . VAL D 63  ? 0.1473 0.2312 0.2779 0.0181  0.0394  -0.0430 77  VAL D CG1 
3157 C CG2 . VAL D 63  ? 0.1592 0.1839 0.1560 -0.0160 -0.0091 -0.0167 77  VAL D CG2 
3158 N N   . ALA D 64  ? 0.1901 0.1839 0.1778 0.0516  -0.0047 -0.0283 78  ALA D N   
3159 C CA  . ALA D 64  ? 0.1597 0.1832 0.1950 0.0325  -0.0160 -0.0347 78  ALA D CA  
3160 C C   . ALA D 64  ? 0.1889 0.2035 0.1823 0.0610  -0.0275 -0.0538 78  ALA D C   
3161 O O   . ALA D 64  ? 0.2494 0.2362 0.1790 0.0620  -0.0325 -0.0777 78  ALA D O   
3162 C CB  . ALA D 64  ? 0.2140 0.1832 0.1877 0.0358  0.0303  -0.0119 78  ALA D CB  
3163 N N   . TRP D 65  ? 0.1598 0.1942 0.1957 0.0175  -0.0393 -0.0357 79  TRP D N   
3164 C CA  . TRP D 65  ? 0.1845 0.1985 0.2061 0.0301  -0.0278 -0.0405 79  TRP D CA  
3165 C C   . TRP D 65  ? 0.2060 0.2148 0.2056 0.0534  -0.0502 -0.0541 79  TRP D C   
3166 O O   . TRP D 65  ? 0.2101 0.2248 0.2175 0.0568  -0.0654 -0.0696 79  TRP D O   
3167 C CB  . TRP D 65  ? 0.1992 0.1945 0.1855 0.0316  -0.0338 -0.0147 79  TRP D CB  
3168 C CG  . TRP D 65  ? 0.2260 0.1958 0.1574 0.0273  0.0094  -0.0241 79  TRP D CG  
3169 C CD1 . TRP D 65  ? 0.2195 0.1594 0.1722 0.0623  0.0033  -0.0174 79  TRP D CD1 
3170 C CD2 . TRP D 65  ? 0.2215 0.1981 0.1741 0.0024  0.0075  -0.0162 79  TRP D CD2 
3171 N NE1 . TRP D 65  ? 0.2377 0.1925 0.1741 0.0486  -0.0228 -0.0059 79  TRP D NE1 
3172 C CE2 . TRP D 65  ? 0.2202 0.1766 0.1624 0.0215  0.0099  -0.0124 79  TRP D CE2 
3173 C CE3 . TRP D 65  ? 0.2324 0.2034 0.1657 0.0065  0.0234  -0.0271 79  TRP D CE3 
3174 C CZ2 . TRP D 65  ? 0.2410 0.1826 0.1425 0.0189  -0.0136 -0.0179 79  TRP D CZ2 
3175 C CZ3 . TRP D 65  ? 0.2395 0.1917 0.1880 0.0175  0.0234  -0.0313 79  TRP D CZ3 
3176 C CH2 . TRP D 65  ? 0.2127 0.1826 0.1808 0.0157  0.0008  -0.0374 79  TRP D CH2 
3177 N N   . LYS D 66  ? 0.2414 0.2021 0.2229 0.0628  -0.0142 -0.0657 80  LYS D N   
3178 C CA  . LYS D 66  ? 0.2442 0.1929 0.2203 0.0897  0.0082  -0.0549 80  LYS D CA  
3179 C C   . LYS D 66  ? 0.1922 0.2101 0.2319 0.0682  0.0282  -0.0557 80  LYS D C   
3180 O O   . LYS D 66  ? 0.1822 0.2131 0.2447 0.0530  -0.0107 -0.0595 80  LYS D O   
3181 C CB  . LYS D 66  ? 0.2487 0.2000 0.2545 0.0833  0.0007  -0.0377 80  LYS D CB  
3182 C CG  . LYS D 66  ? 0.2688 0.2147 0.2937 0.0991  0.0016  0.0102  80  LYS D CG  
3183 C CD  . LYS D 66  ? 0.3349 0.2372 0.3475 0.1139  -0.0278 0.0236  80  LYS D CD  
3184 C CE  . LYS D 66  ? 0.4294 0.2527 0.3609 0.1190  -0.0633 0.0488  80  LYS D CE  
3185 N NZ  . LYS D 66  ? 0.4648 0.2592 0.3846 0.1154  -0.0618 0.0330  80  LYS D NZ  
3186 N N   . ASN D 67  ? 0.1861 0.1935 0.2277 0.0463  0.0296  -0.0594 81  ASN D N   
3187 C CA  . ASN D 67  ? 0.1936 0.1910 0.2524 0.0283  0.0445  -0.0428 81  ASN D CA  
3188 C C   . ASN D 67  ? 0.1950 0.2100 0.2664 0.0148  0.0368  -0.0567 81  ASN D C   
3189 O O   . ASN D 67  ? 0.2165 0.2455 0.2915 0.0379  0.0250  -0.0598 81  ASN D O   
3190 C CB  . ASN D 67  ? 0.1910 0.1926 0.2416 0.0003  0.0591  -0.0263 81  ASN D CB  
3191 C CG  . ASN D 67  ? 0.1713 0.1829 0.2464 0.0232  0.0178  -0.0317 81  ASN D CG  
3192 O OD1 . ASN D 67  ? 0.1573 0.2216 0.2384 0.0312  -0.0126 -0.0432 81  ASN D OD1 
3193 N ND2 . ASN D 67  ? 0.2365 0.1787 0.2707 -0.0010 0.0302  -0.0240 81  ASN D ND2 
3194 N N   . ASN D 68  ? 0.2153 0.2178 0.2858 0.0037  0.0523  -0.0551 82  ASN D N   
3195 C CA  . ASN D 68  ? 0.1946 0.2510 0.3073 0.0299  0.0239  -0.0882 82  ASN D CA  
3196 C C   . ASN D 68  ? 0.1915 0.2661 0.3459 0.0576  0.0077  -0.0710 82  ASN D C   
3197 O O   . ASN D 68  ? 0.2033 0.2735 0.4371 0.0811  -0.0086 -0.0617 82  ASN D O   
3198 C CB  . ASN D 68  ? 0.2560 0.3014 0.3170 -0.0391 0.0588  -0.1240 82  ASN D CB  
3199 C CG  . ASN D 68  ? 0.4317 0.3676 0.4017 -0.0968 0.0783  -0.1170 82  ASN D CG  
3200 O OD1 . ASN D 68  ? 0.6021 0.3918 0.4431 -0.1271 0.1014  -0.1029 82  ASN D OD1 
3201 N ND2 . ASN D 68  ? 0.4874 0.3837 0.4486 -0.1232 0.0850  -0.1448 82  ASN D ND2 
3202 N N   . TYR D 69  ? 0.1798 0.2881 0.3219 0.0291  0.0413  -0.0720 83  TYR D N   
3203 C CA  . TYR D 69  ? 0.1864 0.2994 0.2896 0.0301  0.0468  -0.0519 83  TYR D CA  
3204 C C   . TYR D 69  ? 0.1362 0.3021 0.2774 0.0430  -0.0256 -0.0301 83  TYR D C   
3205 O O   . TYR D 69  ? 0.1831 0.3302 0.3066 0.0658  -0.0198 -0.0052 83  TYR D O   
3206 C CB  . TYR D 69  ? 0.2208 0.3068 0.3001 -0.0130 0.0514  -0.0563 83  TYR D CB  
3207 C CG  . TYR D 69  ? 0.2146 0.3142 0.2675 0.0043  0.0849  -0.0653 83  TYR D CG  
3208 C CD1 . TYR D 69  ? 0.2552 0.3331 0.2801 0.0176  0.0923  -0.0571 83  TYR D CD1 
3209 C CD2 . TYR D 69  ? 0.2481 0.3174 0.2538 0.0039  0.0690  -0.0527 83  TYR D CD2 
3210 C CE1 . TYR D 69  ? 0.2914 0.3539 0.2744 0.0095  0.0639  -0.0535 83  TYR D CE1 
3211 C CE2 . TYR D 69  ? 0.2553 0.3377 0.2707 -0.0040 0.0694  -0.0456 83  TYR D CE2 
3212 C CZ  . TYR D 69  ? 0.3022 0.3502 0.2795 0.0162  0.0462  -0.0562 83  TYR D CZ  
3213 O OH  . TYR D 69  ? 0.3639 0.3752 0.3108 0.0333  0.0413  -0.0572 83  TYR D OH  
3214 N N   . ARG D 70  ? 0.1845 0.2902 0.2822 0.0325  0.0337  -0.0554 84  ARG D N   
3215 C CA  . ARG D 70  ? 0.1893 0.2786 0.2996 0.0226  0.0118  -0.0589 84  ARG D CA  
3216 C C   . ARG D 70  ? 0.1676 0.2449 0.2724 0.0462  -0.0120 -0.0519 84  ARG D C   
3217 O O   . ARG D 70  ? 0.1959 0.2301 0.2574 0.0485  0.0005  -0.0440 84  ARG D O   
3218 C CB  . ARG D 70  ? 0.2357 0.3081 0.3500 0.0046  -0.0039 -0.0662 84  ARG D CB  
3219 C CG  . ARG D 70  ? 0.2843 0.3285 0.3616 0.0089  -0.0235 -0.0662 84  ARG D CG  
3220 C CD  . ARG D 70  ? 0.3539 0.3433 0.4016 0.0245  0.0076  -0.0646 84  ARG D CD  
3221 N NE  . ARG D 70  ? 0.3537 0.3278 0.3939 0.0755  0.0165  -0.0842 84  ARG D NE  
3222 C CZ  . ARG D 70  ? 0.3790 0.3431 0.4091 0.0316  -0.0046 -0.0674 84  ARG D CZ  
3223 N NH1 . ARG D 70  ? 0.3930 0.3456 0.4126 0.0071  -0.0142 -0.0618 84  ARG D NH1 
3224 N NH2 . ARG D 70  ? 0.4393 0.3493 0.4225 0.0220  -0.0080 -0.0696 84  ARG D NH2 
3225 N N   . ASN D 71  ? 0.1899 0.2260 0.2763 0.0458  -0.0207 -0.0390 85  ASN D N   
3226 C CA  . ASN D 71  ? 0.1940 0.2252 0.2687 0.0318  0.0034  -0.0438 85  ASN D CA  
3227 C C   . ASN D 71  ? 0.1974 0.2293 0.2683 0.0492  -0.0052 -0.0571 85  ASN D C   
3228 O O   . ASN D 71  ? 0.2665 0.2486 0.2748 0.0503  -0.0256 -0.0637 85  ASN D O   
3229 C CB  . ASN D 71  ? 0.2017 0.2018 0.2670 0.0349  -0.0145 -0.0467 85  ASN D CB  
3230 C CG  . ASN D 71  ? 0.2225 0.1977 0.2707 0.0427  0.0005  -0.0483 85  ASN D CG  
3231 O OD1 . ASN D 71  ? 0.2360 0.2010 0.2437 0.0736  0.0042  -0.0521 85  ASN D OD1 
3232 N ND2 . ASN D 71  ? 0.2330 0.1856 0.2614 0.0598  0.0011  -0.0410 85  ASN D ND2 
3233 N N   . ALA D 72  ? 0.1678 0.2279 0.2464 0.0276  -0.0164 -0.0620 86  ALA D N   
3234 C CA  . ALA D 72  ? 0.2094 0.2235 0.2457 0.0709  -0.0173 -0.0712 86  ALA D CA  
3235 C C   . ALA D 72  ? 0.2323 0.2408 0.2194 0.0493  -0.0279 -0.0555 86  ALA D C   
3236 O O   . ALA D 72  ? 0.2206 0.2629 0.2515 0.0533  -0.0408 -0.0791 86  ALA D O   
3237 C CB  . ALA D 72  ? 0.2546 0.2091 0.2693 0.0824  -0.0200 -0.0661 86  ALA D CB  
3238 N N   . HIS D 73  ? 0.2346 0.2471 0.2254 0.0693  -0.0515 -0.0131 87  HIS D N   
3239 C CA  . HIS D 73  ? 0.2669 0.2392 0.2338 0.0896  -0.0229 0.0039  87  HIS D CA  
3240 C C   . HIS D 73  ? 0.2214 0.2318 0.2216 0.0748  -0.0009 0.0110  87  HIS D C   
3241 O O   . HIS D 73  ? 0.2472 0.2341 0.2099 0.0799  0.0288  0.0216  87  HIS D O   
3242 C CB  . HIS D 73  ? 0.2886 0.2297 0.2325 0.1184  -0.0326 0.0271  87  HIS D CB  
3243 C CG  . HIS D 73  ? 0.2681 0.2151 0.2341 0.1121  0.0080  0.0120  87  HIS D CG  
3244 N ND1 . HIS D 73  ? 0.2725 0.2049 0.2801 0.1302  0.0008  -0.0122 87  HIS D ND1 
3245 C CD2 . HIS D 73  ? 0.2603 0.2130 0.2555 0.1124  0.0074  0.0143  87  HIS D CD2 
3246 C CE1 . HIS D 73  ? 0.2799 0.2128 0.2814 0.0892  0.0041  0.0023  87  HIS D CE1 
3247 N NE2 . HIS D 73  ? 0.2592 0.2079 0.2720 0.0827  0.0107  -0.0082 87  HIS D NE2 
3248 N N   . SER D 74  ? 0.1723 0.2181 0.2386 0.0855  -0.0197 0.0221  88  SER D N   
3249 C CA  . SER D 74  ? 0.1738 0.2053 0.2268 0.0786  -0.0516 -0.0027 88  SER D CA  
3250 C C   . SER D 74  ? 0.1937 0.1850 0.2126 0.0894  -0.0412 -0.0203 88  SER D C   
3251 O O   . SER D 74  ? 0.2224 0.1818 0.2220 0.0660  -0.0400 -0.0461 88  SER D O   
3252 C CB  . SER D 74  ? 0.2260 0.2280 0.2459 0.0527  -0.0243 -0.0175 88  SER D CB  
3253 O OG  . SER D 74  ? 0.2232 0.2581 0.2510 0.0697  -0.0382 -0.0106 88  SER D OG  
3254 N N   . ALA D 75  ? 0.2155 0.1775 0.1938 0.0794  -0.0415 -0.0228 89  ALA D N   
3255 C CA  . ALA D 75  ? 0.2229 0.1781 0.1988 0.0499  -0.0762 -0.0167 89  ALA D CA  
3256 C C   . ALA D 75  ? 0.2128 0.1718 0.1613 0.0645  -0.0627 -0.0377 89  ALA D C   
3257 O O   . ALA D 75  ? 0.2334 0.1552 0.1681 0.0578  -0.0103 -0.0463 89  ALA D O   
3258 C CB  . ALA D 75  ? 0.2106 0.1860 0.2196 -0.0074 -0.0567 -0.0493 89  ALA D CB  
3259 N N   . THR D 76  ? 0.1843 0.1802 0.1728 0.0758  -0.0287 -0.0212 90  THR D N   
3260 C CA  . THR D 76  ? 0.1341 0.1653 0.1530 0.0238  -0.0174 -0.0226 90  THR D CA  
3261 C C   . THR D 76  ? 0.1472 0.1578 0.1392 0.0252  -0.0146 -0.0280 90  THR D C   
3262 O O   . THR D 76  ? 0.1687 0.1712 0.1655 0.0170  -0.0049 -0.0556 90  THR D O   
3263 C CB  . THR D 76  ? 0.1603 0.1675 0.1735 0.0380  -0.0063 -0.0067 90  THR D CB  
3264 O OG1 . THR D 76  ? 0.1869 0.2072 0.1463 0.0213  -0.0135 -0.0313 90  THR D OG1 
3265 C CG2 . THR D 76  ? 0.1546 0.1650 0.2036 0.0280  -0.0014 -0.0134 90  THR D CG2 
3266 N N   . THR D 77  ? 0.1522 0.1320 0.1504 0.0307  0.0171  -0.0163 91  THR D N   
3267 C CA  . THR D 77  ? 0.1530 0.1439 0.1727 0.0329  -0.0026 -0.0012 91  THR D CA  
3268 C C   . THR D 77  ? 0.1832 0.1523 0.1479 0.0142  -0.0320 -0.0162 91  THR D C   
3269 O O   . THR D 77  ? 0.2526 0.1755 0.1381 -0.0003 -0.0465 0.0010  91  THR D O   
3270 C CB  . THR D 77  ? 0.1824 0.1315 0.1388 0.0081  0.0148  -0.0148 91  THR D CB  
3271 O OG1 . THR D 77  ? 0.2253 0.1003 0.1705 0.0224  0.0297  -0.0237 91  THR D OG1 
3272 C CG2 . THR D 77  ? 0.1983 0.1428 0.2095 0.0023  0.0271  -0.0115 91  THR D CG2 
3273 N N   . TRP D 78  ? 0.1458 0.1437 0.1297 0.0365  -0.0330 0.0127  92  TRP D N   
3274 C CA  . TRP D 78  ? 0.1314 0.1548 0.1564 0.0341  0.0028  0.0219  92  TRP D CA  
3275 C C   . TRP D 78  ? 0.1293 0.1669 0.1322 -0.0019 -0.0175 0.0137  92  TRP D C   
3276 O O   . TRP D 78  ? 0.1645 0.1504 0.1535 0.0024  -0.0163 0.0095  92  TRP D O   
3277 C CB  . TRP D 78  ? 0.1353 0.1542 0.1057 0.0105  -0.0012 0.0206  92  TRP D CB  
3278 C CG  . TRP D 78  ? 0.1411 0.1679 0.1442 -0.0220 0.0067  0.0099  92  TRP D CG  
3279 C CD1 . TRP D 78  ? 0.1829 0.1730 0.1687 0.0098  -0.0217 0.0062  92  TRP D CD1 
3280 C CD2 . TRP D 78  ? 0.1734 0.1659 0.1461 0.0205  0.0158  -0.0025 92  TRP D CD2 
3281 N NE1 . TRP D 78  ? 0.1995 0.1757 0.1543 0.0353  -0.0046 0.0135  92  TRP D NE1 
3282 C CE2 . TRP D 78  ? 0.1679 0.1655 0.1397 0.0421  -0.0120 -0.0006 92  TRP D CE2 
3283 C CE3 . TRP D 78  ? 0.1742 0.1705 0.1388 0.0377  0.0100  0.0067  92  TRP D CE3 
3284 C CZ2 . TRP D 78  ? 0.1897 0.1792 0.1326 0.0203  -0.0038 0.0161  92  TRP D CZ2 
3285 C CZ3 . TRP D 78  ? 0.1805 0.1887 0.1815 0.0041  0.0034  0.0062  92  TRP D CZ3 
3286 C CH2 . TRP D 78  ? 0.1906 0.1824 0.1469 -0.0124 0.0135  0.0140  92  TRP D CH2 
3287 N N   . SER D 79  ? 0.1227 0.2024 0.1337 0.0215  0.0198  0.0100  93  SER D N   
3288 C CA  . SER D 79  ? 0.1313 0.1827 0.1247 0.0554  0.0343  0.0074  93  SER D CA  
3289 C C   . SER D 79  ? 0.1491 0.1696 0.1235 0.0416  -0.0071 0.0183  93  SER D C   
3290 O O   . SER D 79  ? 0.1988 0.1382 0.1566 0.0094  -0.0175 -0.0007 93  SER D O   
3291 C CB  . SER D 79  ? 0.1702 0.1989 0.1454 0.0499  0.0549  0.0099  93  SER D CB  
3292 O OG  . SER D 79  ? 0.1699 0.2303 0.1717 0.0666  0.0420  0.0225  93  SER D OG  
3293 N N   . GLY D 80  ? 0.1656 0.1638 0.1158 0.0353  -0.0023 0.0384  94  GLY D N   
3294 C CA  . GLY D 80  ? 0.2027 0.1845 0.1074 0.0398  -0.0282 0.0581  94  GLY D CA  
3295 C C   . GLY D 80  ? 0.1622 0.1772 0.1474 0.0078  -0.0019 0.0271  94  GLY D C   
3296 O O   . GLY D 80  ? 0.1706 0.1864 0.1632 -0.0115 -0.0158 0.0248  94  GLY D O   
3297 N N   . GLN D 81  ? 0.1843 0.1874 0.1411 0.0447  -0.0157 0.0311  95  GLN D N   
3298 C CA  . GLN D 81  ? 0.2080 0.2044 0.1690 0.0245  0.0076  0.0459  95  GLN D CA  
3299 C C   . GLN D 81  ? 0.1974 0.2003 0.1790 0.0198  -0.0085 0.0583  95  GLN D C   
3300 O O   . GLN D 81  ? 0.1881 0.2165 0.1692 0.0126  0.0037  0.0590  95  GLN D O   
3301 C CB  . GLN D 81  ? 0.2380 0.2127 0.2419 0.0427  -0.0554 0.0073  95  GLN D CB  
3302 C CG  . GLN D 81  ? 0.2349 0.2218 0.2705 0.0520  -0.0493 -0.0094 95  GLN D CG  
3303 C CD  . GLN D 81  ? 0.1894 0.2072 0.2418 0.0552  -0.0924 -0.0133 95  GLN D CD  
3304 O OE1 . GLN D 81  ? 0.2109 0.1784 0.2274 0.0397  -0.0599 0.0242  95  GLN D OE1 
3305 N NE2 . GLN D 81  ? 0.2483 0.2353 0.2255 0.0337  -0.0374 -0.0219 95  GLN D NE2 
3306 N N   . TYR D 82  ? 0.1998 0.2000 0.1362 0.0243  -0.0223 0.0417  96  TYR D N   
3307 C CA  . TYR D 82  ? 0.2129 0.2073 0.1347 0.0100  -0.0382 0.0516  96  TYR D CA  
3308 C C   . TYR D 82  ? 0.1756 0.2204 0.1782 -0.0236 -0.0386 0.0603  96  TYR D C   
3309 O O   . TYR D 82  ? 0.1945 0.2247 0.2054 -0.0034 -0.0117 0.0575  96  TYR D O   
3310 C CB  . TYR D 82  ? 0.1996 0.2460 0.1326 -0.0275 -0.0639 0.0410  96  TYR D CB  
3311 C CG  . TYR D 82  ? 0.2255 0.2685 0.1102 -0.0393 -0.0268 0.0325  96  TYR D CG  
3312 C CD1 . TYR D 82  ? 0.2917 0.2932 0.1278 -0.0325 0.0336  0.0232  96  TYR D CD1 
3313 C CD2 . TYR D 82  ? 0.2547 0.3079 0.1314 -0.0308 -0.0322 0.0531  96  TYR D CD2 
3314 C CE1 . TYR D 82  ? 0.2989 0.3244 0.1214 -0.0304 -0.0006 0.0439  96  TYR D CE1 
3315 C CE2 . TYR D 82  ? 0.2883 0.3491 0.1299 -0.0091 -0.0241 0.0708  96  TYR D CE2 
3316 C CZ  . TYR D 82  ? 0.2932 0.3576 0.1344 -0.0013 -0.0151 0.0720  96  TYR D CZ  
3317 O OH  . TYR D 82  ? 0.3264 0.4033 0.1970 0.0149  -0.0206 0.0765  96  TYR D OH  
3318 N N   . VAL D 83  ? 0.2477 0.2319 0.1813 -0.0089 -0.0015 0.0826  97  VAL D N   
3319 C CA  . VAL D 83  ? 0.3074 0.2633 0.2352 0.0077  -0.0030 0.0937  97  VAL D CA  
3320 C C   . VAL D 83  ? 0.3053 0.3211 0.2432 -0.0260 -0.0274 0.1179  97  VAL D C   
3321 O O   . VAL D 83  ? 0.2613 0.3434 0.2304 -0.0624 -0.0142 0.1276  97  VAL D O   
3322 C CB  . VAL D 83  ? 0.3554 0.2162 0.2911 0.0307  0.0201  0.0903  97  VAL D CB  
3323 C CG1 . VAL D 83  ? 0.3697 0.1997 0.3150 0.0598  -0.0323 0.1097  97  VAL D CG1 
3324 C CG2 . VAL D 83  ? 0.3660 0.2064 0.2642 0.0648  0.0331  0.0145  97  VAL D CG2 
3325 N N   . GLY D 84  ? 0.3489 0.3650 0.2692 -0.0366 -0.0408 0.1334  98  GLY D N   
3326 C CA  . GLY D 84  ? 0.3735 0.3821 0.2783 -0.0308 -0.0735 0.1669  98  GLY D CA  
3327 C C   . GLY D 84  ? 0.4290 0.4093 0.3429 -0.0181 -0.0602 0.1693  98  GLY D C   
3328 O O   . GLY D 84  ? 0.5084 0.4006 0.3925 -0.0271 -0.0833 0.1673  98  GLY D O   
3329 N N   . GLY D 85  ? 0.4131 0.4366 0.3626 -0.0203 -0.0121 0.1855  99  GLY D N   
3330 C CA  . GLY D 85  ? 0.3847 0.4453 0.3446 0.0126  0.0007  0.1934  99  GLY D CA  
3331 C C   . GLY D 85  ? 0.4012 0.4460 0.3322 0.0334  0.0158  0.1773  99  GLY D C   
3332 O O   . GLY D 85  ? 0.3766 0.4325 0.3380 0.0526  0.0260  0.1797  99  GLY D O   
3333 N N   . ALA D 86  ? 0.4012 0.4379 0.3088 0.0328  0.0290  0.1769  100 ALA D N   
3334 C CA  . ALA D 86  ? 0.3496 0.4288 0.3241 0.0205  0.0542  0.1583  100 ALA D CA  
3335 C C   . ALA D 86  ? 0.3576 0.4375 0.3261 0.0116  0.0359  0.1372  100 ALA D C   
3336 O O   . ALA D 86  ? 0.3888 0.4735 0.3283 0.0300  0.0430  0.1209  100 ALA D O   
3337 C CB  . ALA D 86  ? 0.3491 0.4168 0.3334 0.0236  0.0328  0.1561  100 ALA D CB  
3338 N N   . GLU D 87  ? 0.3808 0.4084 0.3193 -0.0108 0.0243  0.1697  101 GLU D N   
3339 C CA  . GLU D 87  ? 0.4089 0.3974 0.3376 -0.0311 0.0030  0.1601  101 GLU D CA  
3340 C C   . GLU D 87  ? 0.3568 0.3585 0.2819 -0.0495 0.0047  0.1415  101 GLU D C   
3341 O O   . GLU D 87  ? 0.3854 0.3432 0.3077 -0.0899 0.0078  0.1231  101 GLU D O   
3342 C CB  . GLU D 87  ? 0.4683 0.4334 0.4321 -0.0424 -0.0048 0.1668  101 GLU D CB  
3343 C CG  . GLU D 87  ? 0.5401 0.4841 0.5247 -0.0337 -0.0170 0.1681  101 GLU D CG  
3344 C CD  . GLU D 87  ? 0.6410 0.5225 0.5971 -0.0342 -0.0508 0.1879  101 GLU D CD  
3345 O OE1 . GLU D 87  ? 0.6842 0.5439 0.6264 -0.0329 -0.0744 0.1819  101 GLU D OE1 
3346 O OE2 . GLU D 87  ? 0.6785 0.5341 0.6178 -0.0412 -0.0623 0.1976  101 GLU D OE2 
3347 N N   . ALA D 88  ? 0.2933 0.3456 0.2463 -0.0169 0.0077  0.1086  102 ALA D N   
3348 C CA  . ALA D 88  ? 0.2766 0.2836 0.2261 -0.0083 -0.0037 0.1107  102 ALA D CA  
3349 C C   . ALA D 88  ? 0.2428 0.2487 0.1760 -0.0075 -0.0038 0.0704  102 ALA D C   
3350 O O   . ALA D 88  ? 0.2430 0.2679 0.2022 -0.0044 0.0248  0.0843  102 ALA D O   
3351 C CB  . ALA D 88  ? 0.2988 0.2997 0.2446 -0.0322 -0.0093 0.0913  102 ALA D CB  
3352 N N   . ARG D 89  ? 0.2587 0.2199 0.1533 -0.0198 0.0091  0.0546  103 ARG D N   
3353 C CA  . ARG D 89  ? 0.2569 0.2313 0.1669 -0.0404 0.0176  0.0503  103 ARG D CA  
3354 C C   . ARG D 89  ? 0.2336 0.2326 0.1586 -0.0434 -0.0049 0.0467  103 ARG D C   
3355 O O   . ARG D 89  ? 0.2654 0.2626 0.1920 -0.0318 -0.0125 0.0627  103 ARG D O   
3356 C CB  . ARG D 89  ? 0.3084 0.2385 0.2622 -0.0354 0.0597  0.0274  103 ARG D CB  
3357 C CG  . ARG D 89  ? 0.3391 0.2699 0.3340 -0.0345 0.0426  0.0460  103 ARG D CG  
3358 C CD  . ARG D 89  ? 0.3269 0.2778 0.4031 -0.0307 0.0364  0.0279  103 ARG D CD  
3359 N NE  . ARG D 89  ? 0.3841 0.2948 0.4818 -0.0322 0.0525  0.0062  103 ARG D NE  
3360 C CZ  . ARG D 89  ? 0.4113 0.3057 0.4970 -0.0578 0.0951  0.0074  103 ARG D CZ  
3361 N NH1 . ARG D 89  ? 0.3870 0.3029 0.5129 -0.0789 0.1352  0.0364  103 ARG D NH1 
3362 N NH2 . ARG D 89  ? 0.4662 0.3160 0.5053 -0.0588 0.0928  -0.0194 103 ARG D NH2 
3363 N N   . ILE D 90  ? 0.2112 0.2256 0.1289 -0.0258 -0.0322 0.0435  104 ILE D N   
3364 C CA  . ILE D 90  ? 0.2215 0.1977 0.1385 -0.0154 -0.0032 0.0501  104 ILE D CA  
3365 C C   . ILE D 90  ? 0.1848 0.2292 0.1086 0.0010  -0.0159 0.0309  104 ILE D C   
3366 O O   . ILE D 90  ? 0.1828 0.2633 0.1403 -0.0115 -0.0226 0.0295  104 ILE D O   
3367 C CB  . ILE D 90  ? 0.2290 0.1824 0.1481 -0.0328 -0.0119 0.0512  104 ILE D CB  
3368 C CG1 . ILE D 90  ? 0.2226 0.1903 0.1917 0.0126  -0.0170 0.0422  104 ILE D CG1 
3369 C CG2 . ILE D 90  ? 0.2559 0.1968 0.1535 -0.0026 -0.0154 0.0477  104 ILE D CG2 
3370 C CD1 . ILE D 90  ? 0.1926 0.2002 0.2387 0.0265  -0.0076 0.0096  104 ILE D CD1 
3371 N N   . ASN D 91  ? 0.1968 0.2315 0.1183 -0.0072 0.0117  0.0191  105 ASN D N   
3372 C CA  . ASN D 91  ? 0.2235 0.2104 0.1359 0.0016  -0.0023 0.0343  105 ASN D CA  
3373 C C   . ASN D 91  ? 0.1934 0.1873 0.1558 0.0135  -0.0098 0.0145  105 ASN D C   
3374 O O   . ASN D 91  ? 0.1935 0.1929 0.1718 -0.0001 -0.0135 0.0116  105 ASN D O   
3375 C CB  . ASN D 91  ? 0.2837 0.2206 0.1956 0.0067  0.0303  0.0497  105 ASN D CB  
3376 C CG  . ASN D 91  ? 0.2896 0.2462 0.3047 0.0049  0.0571  0.0678  105 ASN D CG  
3377 O OD1 . ASN D 91  ? 0.2485 0.2674 0.3288 -0.0052 0.0502  0.0441  105 ASN D OD1 
3378 N ND2 . ASN D 91  ? 0.3274 0.2413 0.3442 0.0032  0.0262  0.0669  105 ASN D ND2 
3379 N N   . THR D 92  ? 0.2058 0.1820 0.1294 0.0155  0.0060  0.0147  106 THR D N   
3380 C CA  . THR D 92  ? 0.1920 0.1713 0.1357 0.0119  0.0170  0.0102  106 THR D CA  
3381 C C   . THR D 92  ? 0.1747 0.1505 0.1300 -0.0110 0.0165  0.0245  106 THR D C   
3382 O O   . THR D 92  ? 0.1914 0.1648 0.1585 -0.0126 0.0000  0.0232  106 THR D O   
3383 C CB  . THR D 92  ? 0.1816 0.1791 0.1375 0.0289  0.0279  -0.0135 106 THR D CB  
3384 O OG1 . THR D 92  ? 0.1744 0.1678 0.1848 0.0142  0.0225  -0.0150 106 THR D OG1 
3385 C CG2 . THR D 92  ? 0.2493 0.2174 0.1437 0.0365  0.0264  -0.0127 106 THR D CG2 
3386 N N   . GLN D 93  ? 0.1675 0.1346 0.1222 -0.0282 0.0011  0.0225  107 GLN D N   
3387 C CA  . GLN D 93  ? 0.2044 0.1401 0.1056 0.0217  0.0123  -0.0106 107 GLN D CA  
3388 C C   . GLN D 93  ? 0.1836 0.1479 0.1483 0.0190  0.0239  -0.0024 107 GLN D C   
3389 O O   . GLN D 93  ? 0.1837 0.1772 0.1946 0.0187  -0.0114 -0.0231 107 GLN D O   
3390 C CB  . GLN D 93  ? 0.2313 0.1559 0.1664 0.0668  -0.0147 -0.0033 107 GLN D CB  
3391 C CG  . GLN D 93  ? 0.2299 0.1708 0.1732 0.0221  -0.0070 -0.0170 107 GLN D CG  
3392 C CD  . GLN D 93  ? 0.2237 0.2139 0.2045 0.0346  -0.0128 -0.0041 107 GLN D CD  
3393 O OE1 . GLN D 93  ? 0.2449 0.2341 0.2255 0.0474  -0.0135 -0.0046 107 GLN D OE1 
3394 N NE2 . GLN D 93  ? 0.2329 0.2129 0.2091 0.0037  0.0139  0.0453  107 GLN D NE2 
3395 N N   . TRP D 94  ? 0.1757 0.1380 0.1282 0.0363  0.0176  0.0302  108 TRP D N   
3396 C CA  . TRP D 94  ? 0.1780 0.1387 0.1384 0.0262  0.0005  0.0284  108 TRP D CA  
3397 C C   . TRP D 94  ? 0.1900 0.1376 0.1418 0.0178  -0.0250 -0.0010 108 TRP D C   
3398 O O   . TRP D 94  ? 0.1735 0.1287 0.1284 -0.0002 -0.0139 -0.0145 108 TRP D O   
3399 C CB  . TRP D 94  ? 0.1779 0.1505 0.1423 0.0279  -0.0007 0.0015  108 TRP D CB  
3400 C CG  . TRP D 94  ? 0.1703 0.1435 0.1526 0.0247  -0.0198 -0.0170 108 TRP D CG  
3401 C CD1 . TRP D 94  ? 0.1986 0.1661 0.1702 0.0435  -0.0159 -0.0324 108 TRP D CD1 
3402 C CD2 . TRP D 94  ? 0.1819 0.1352 0.1445 0.0104  -0.0129 -0.0076 108 TRP D CD2 
3403 N NE1 . TRP D 94  ? 0.1882 0.1756 0.1626 0.0506  -0.0200 -0.0445 108 TRP D NE1 
3404 C CE2 . TRP D 94  ? 0.1940 0.1712 0.1571 0.0253  -0.0370 -0.0021 108 TRP D CE2 
3405 C CE3 . TRP D 94  ? 0.1636 0.1422 0.1366 0.0342  0.0030  0.0047  108 TRP D CE3 
3406 C CZ2 . TRP D 94  ? 0.1897 0.1769 0.1459 0.0482  -0.0311 0.0067  108 TRP D CZ2 
3407 C CZ3 . TRP D 94  ? 0.1794 0.1544 0.1562 0.0004  0.0053  0.0019  108 TRP D CZ3 
3408 C CH2 . TRP D 94  ? 0.1684 0.1626 0.1636 0.0263  -0.0369 -0.0243 108 TRP D CH2 
3409 N N   . LEU D 95  ? 0.1662 0.1434 0.1786 0.0354  -0.0210 0.0332  109 LEU D N   
3410 C CA  . LEU D 95  ? 0.1610 0.1584 0.1766 0.0425  -0.0105 0.0155  109 LEU D CA  
3411 C C   . LEU D 95  ? 0.1561 0.1822 0.1679 0.0330  -0.0320 -0.0396 109 LEU D C   
3412 O O   . LEU D 95  ? 0.1873 0.2008 0.1862 0.0623  -0.0375 -0.0636 109 LEU D O   
3413 C CB  . LEU D 95  ? 0.1635 0.1711 0.1646 0.0492  -0.0016 -0.0108 109 LEU D CB  
3414 C CG  . LEU D 95  ? 0.1665 0.1725 0.1903 0.0247  -0.0068 -0.0101 109 LEU D CG  
3415 C CD1 . LEU D 95  ? 0.1802 0.1835 0.1992 0.0171  0.0122  -0.0167 109 LEU D CD1 
3416 C CD2 . LEU D 95  ? 0.2166 0.1872 0.2107 -0.0328 -0.0191 -0.0143 109 LEU D CD2 
3417 N N   . LEU D 96  ? 0.1581 0.1672 0.1816 0.0620  -0.0303 -0.0195 110 LEU D N   
3418 C CA  . LEU D 96  ? 0.1547 0.1587 0.1775 0.0398  -0.0256 -0.0143 110 LEU D CA  
3419 C C   . LEU D 96  ? 0.1824 0.1379 0.1530 0.0467  -0.0290 0.0044  110 LEU D C   
3420 O O   . LEU D 96  ? 0.1934 0.1901 0.1557 0.0529  -0.0120 -0.0209 110 LEU D O   
3421 C CB  . LEU D 96  ? 0.1752 0.1785 0.2091 0.0273  -0.0216 -0.0293 110 LEU D CB  
3422 C CG  . LEU D 96  ? 0.1962 0.1822 0.2494 0.0379  -0.0098 -0.0210 110 LEU D CG  
3423 C CD1 . LEU D 96  ? 0.2284 0.2003 0.2113 0.0763  -0.0284 -0.0545 110 LEU D CD1 
3424 C CD2 . LEU D 96  ? 0.2096 0.1950 0.2554 0.0036  0.0231  0.0115  110 LEU D CD2 
3425 N N   . THR D 97  ? 0.2060 0.1238 0.1794 0.0150  -0.0168 -0.0320 111 THR D N   
3426 C CA  . THR D 97  ? 0.2205 0.1403 0.1715 0.0610  -0.0177 -0.0059 111 THR D CA  
3427 C C   . THR D 97  ? 0.2144 0.1663 0.1546 0.0716  -0.0393 -0.0215 111 THR D C   
3428 O O   . THR D 97  ? 0.2042 0.1900 0.1775 0.0465  -0.0317 -0.0450 111 THR D O   
3429 C CB  . THR D 97  ? 0.2579 0.1279 0.2129 0.0712  -0.0199 0.0241  111 THR D CB  
3430 O OG1 . THR D 97  ? 0.2408 0.1284 0.2281 0.0501  -0.0004 0.0075  111 THR D OG1 
3431 C CG2 . THR D 97  ? 0.2585 0.1536 0.1973 0.0630  -0.0571 0.0231  111 THR D CG2 
3432 N N   . SER D 98  ? 0.1889 0.2009 0.1682 0.0653  -0.0654 -0.0035 112 SER D N   
3433 C CA  . SER D 98  ? 0.1918 0.2383 0.1745 0.0747  -0.0449 -0.0017 112 SER D CA  
3434 C C   . SER D 98  ? 0.2569 0.2201 0.1626 0.1024  -0.0254 0.0183  112 SER D C   
3435 O O   . SER D 98  ? 0.3100 0.2210 0.1766 0.0732  0.0117  0.0158  112 SER D O   
3436 C CB  . SER D 98  ? 0.1895 0.2650 0.2061 0.0569  -0.0238 0.0113  112 SER D CB  
3437 O OG  . SER D 98  ? 0.2476 0.3026 0.2580 0.0373  0.0163  0.0268  112 SER D OG  
3438 N N   . GLY D 99  ? 0.2593 0.2069 0.1709 0.1040  -0.0393 0.0029  113 GLY D N   
3439 C CA  . GLY D 99  ? 0.3068 0.2273 0.1750 0.1103  -0.0658 0.0059  113 GLY D CA  
3440 C C   . GLY D 99  ? 0.3363 0.2445 0.2179 0.1384  -0.0651 0.0225  113 GLY D C   
3441 O O   . GLY D 99  ? 0.3738 0.2622 0.2608 0.1031  -0.0517 0.0304  113 GLY D O   
3442 N N   . THR D 100 ? 0.3193 0.2422 0.1920 0.1205  -0.0350 0.0506  114 THR D N   
3443 C CA  . THR D 100 ? 0.3268 0.2563 0.2163 0.1163  -0.0620 0.0084  114 THR D CA  
3444 C C   . THR D 100 ? 0.3797 0.2860 0.1824 0.1416  -0.0705 -0.0061 114 THR D C   
3445 O O   . THR D 100 ? 0.3982 0.2890 0.2050 0.1299  -0.0301 0.0169  114 THR D O   
3446 C CB  . THR D 100 ? 0.3025 0.2370 0.2343 0.1034  -0.0688 0.0008  114 THR D CB  
3447 O OG1 . THR D 100 ? 0.2848 0.2340 0.2400 0.0969  -0.0402 -0.0183 114 THR D OG1 
3448 C CG2 . THR D 100 ? 0.2820 0.2255 0.2562 0.1064  -0.0569 0.0063  114 THR D CG2 
3449 N N   . THR D 101 ? 0.4044 0.3043 0.1924 0.1811  -0.0374 -0.0042 115 THR D N   
3450 C CA  . THR D 101 ? 0.4128 0.3358 0.1942 0.1887  -0.0486 -0.0013 115 THR D CA  
3451 C C   . THR D 101 ? 0.4230 0.3502 0.1839 0.1717  -0.0629 0.0159  115 THR D C   
3452 O O   . THR D 101 ? 0.4110 0.3314 0.2073 0.1589  -0.0806 -0.0015 115 THR D O   
3453 C CB  . THR D 101 ? 0.4385 0.3652 0.2233 0.1831  -0.0434 0.0100  115 THR D CB  
3454 O OG1 . THR D 101 ? 0.4556 0.3864 0.2433 0.1712  -0.0664 0.0115  115 THR D OG1 
3455 C CG2 . THR D 101 ? 0.4277 0.3752 0.2444 0.1897  -0.0119 0.0271  115 THR D CG2 
3456 N N   . GLU D 102 ? 0.4684 0.3818 0.2171 0.1728  0.0009  0.0344  116 GLU D N   
3457 C CA  . GLU D 102 ? 0.4587 0.3969 0.2571 0.1836  0.0055  0.0445  116 GLU D CA  
3458 C C   . GLU D 102 ? 0.4341 0.3658 0.2292 0.1901  -0.0071 0.0431  116 GLU D C   
3459 O O   . GLU D 102 ? 0.4275 0.3430 0.2015 0.1716  0.0036  0.0636  116 GLU D O   
3460 C CB  . GLU D 102 ? 0.5350 0.4604 0.3401 0.1416  -0.0030 0.0431  116 GLU D CB  
3461 C CG  . GLU D 102 ? 0.6434 0.5107 0.4441 0.1193  -0.0236 0.0575  116 GLU D CG  
3462 C CD  . GLU D 102 ? 0.7326 0.5406 0.5364 0.1162  -0.0248 0.0341  116 GLU D CD  
3463 O OE1 . GLU D 102 ? 0.7723 0.5430 0.6096 0.1150  -0.0234 0.0309  116 GLU D OE1 
3464 O OE2 . GLU D 102 ? 0.7763 0.5559 0.5486 0.1062  -0.0392 0.0468  116 GLU D OE2 
3465 N N   . ALA D 103 ? 0.4735 0.3503 0.2356 0.2127  -0.0165 0.0460  117 ALA D N   
3466 C CA  . ALA D 103 ? 0.4537 0.3407 0.2253 0.1904  -0.0630 0.0274  117 ALA D CA  
3467 C C   . ALA D 103 ? 0.4209 0.3262 0.2301 0.1706  -0.0574 0.0083  117 ALA D C   
3468 O O   . ALA D 103 ? 0.3997 0.3376 0.2508 0.1469  -0.0741 -0.0034 117 ALA D O   
3469 C CB  . ALA D 103 ? 0.4670 0.3566 0.2195 0.1876  -0.0680 0.0219  117 ALA D CB  
3470 N N   . ASN D 104 ? 0.3911 0.3133 0.2175 0.1586  -0.0727 0.0087  118 ASN D N   
3471 C CA  . ASN D 104 ? 0.3235 0.3285 0.2436 0.1348  -0.0869 -0.0430 118 ASN D CA  
3472 C C   . ASN D 104 ? 0.2706 0.2983 0.2101 0.1095  -0.1120 -0.0505 118 ASN D C   
3473 O O   . ASN D 104 ? 0.3092 0.2763 0.2119 0.1044  -0.0796 -0.0668 118 ASN D O   
3474 C CB  . ASN D 104 ? 0.2730 0.3628 0.3024 0.1256  -0.1230 -0.0610 118 ASN D CB  
3475 C CG  . ASN D 104 ? 0.3241 0.3952 0.3693 0.1137  -0.1419 -0.0896 118 ASN D CG  
3476 O OD1 . ASN D 104 ? 0.3411 0.3971 0.4357 0.0978  -0.1189 -0.1147 118 ASN D OD1 
3477 N ND2 . ASN D 104 ? 0.3837 0.4115 0.3992 0.0955  -0.1292 -0.0815 118 ASN D ND2 
3478 N N   . ALA D 105 ? 0.2782 0.2883 0.2202 0.1084  -0.0736 -0.0274 119 ALA D N   
3479 C CA  . ALA D 105 ? 0.2576 0.2753 0.2463 0.1267  -0.0650 -0.0389 119 ALA D CA  
3480 C C   . ALA D 105 ? 0.2740 0.2450 0.2108 0.1367  -0.0472 -0.0489 119 ALA D C   
3481 O O   . ALA D 105 ? 0.2950 0.2467 0.1982 0.1341  -0.0598 -0.0288 119 ALA D O   
3482 C CB  . ALA D 105 ? 0.2249 0.2996 0.2592 0.1177  -0.0577 -0.0548 119 ALA D CB  
3483 N N   . TRP D 106 ? 0.3204 0.2415 0.2173 0.1481  -0.0149 -0.0620 120 TRP D N   
3484 C CA  . TRP D 106 ? 0.3502 0.2467 0.1888 0.1257  -0.0318 -0.0757 120 TRP D CA  
3485 C C   . TRP D 106 ? 0.4117 0.2562 0.2354 0.1055  -0.0563 -0.0570 120 TRP D C   
3486 O O   . TRP D 106 ? 0.4583 0.2588 0.2079 0.1460  -0.0593 -0.0372 120 TRP D O   
3487 C CB  . TRP D 106 ? 0.3788 0.2536 0.2137 0.0941  -0.0739 -0.0800 120 TRP D CB  
3488 C CG  . TRP D 106 ? 0.4067 0.2523 0.2215 0.0890  -0.0996 -0.0508 120 TRP D CG  
3489 C CD1 . TRP D 106 ? 0.4460 0.2637 0.2212 0.0973  -0.0852 -0.0362 120 TRP D CD1 
3490 C CD2 . TRP D 106 ? 0.4947 0.2515 0.2848 0.0640  -0.0957 -0.0239 120 TRP D CD2 
3491 N NE1 . TRP D 106 ? 0.5048 0.2652 0.2484 0.0915  -0.1088 -0.0077 120 TRP D NE1 
3492 C CE2 . TRP D 106 ? 0.5023 0.2634 0.2982 0.0390  -0.1242 -0.0232 120 TRP D CE2 
3493 C CE3 . TRP D 106 ? 0.5120 0.2608 0.3147 0.0660  -0.1060 -0.0041 120 TRP D CE3 
3494 C CZ2 . TRP D 106 ? 0.4548 0.2802 0.3299 0.0177  -0.1752 0.0023  120 TRP D CZ2 
3495 C CZ3 . TRP D 106 ? 0.4876 0.2885 0.3468 0.0321  -0.1323 0.0163  120 TRP D CZ3 
3496 C CH2 . TRP D 106 ? 0.4607 0.2944 0.3607 0.0166  -0.1612 0.0062  120 TRP D CH2 
3497 N N   . LYS D 107 ? 0.3530 0.2671 0.2202 0.0572  -0.0616 -0.0570 121 LYS D N   
3498 C CA  . LYS D 107 ? 0.3154 0.2568 0.2485 0.0563  -0.1082 -0.0295 121 LYS D CA  
3499 C C   . LYS D 107 ? 0.2693 0.2126 0.2378 0.0509  -0.1041 0.0005  121 LYS D C   
3500 O O   . LYS D 107 ? 0.3135 0.2202 0.2817 -0.0023 -0.0884 -0.0005 121 LYS D O   
3501 C CB  . LYS D 107 ? 0.2949 0.2808 0.3292 0.0722  -0.1357 -0.0004 121 LYS D CB  
3502 C CG  . LYS D 107 ? 0.3091 0.3165 0.3596 0.0604  -0.1813 0.0205  121 LYS D CG  
3503 C CD  . LYS D 107 ? 0.3059 0.3612 0.4047 0.0671  -0.1821 0.0491  121 LYS D CD  
3504 C CE  . LYS D 107 ? 0.2750 0.4097 0.4602 0.0676  -0.1768 0.0498  121 LYS D CE  
3505 N NZ  . LYS D 107 ? 0.3416 0.4459 0.5345 0.0582  -0.1900 0.0645  121 LYS D NZ  
3506 N N   . SER D 108 ? 0.2711 0.1586 0.2082 0.0250  -0.0405 -0.0151 122 SER D N   
3507 C CA  . SER D 108 ? 0.2544 0.1928 0.1705 0.0190  -0.0119 -0.0075 122 SER D CA  
3508 C C   . SER D 108 ? 0.1977 0.1927 0.1790 0.0536  -0.0061 -0.0024 122 SER D C   
3509 O O   . SER D 108 ? 0.1963 0.2080 0.1589 0.0527  -0.0207 -0.0091 122 SER D O   
3510 C CB  . SER D 108 ? 0.2586 0.2002 0.1983 0.0426  0.0020  -0.0033 122 SER D CB  
3511 O OG  . SER D 108 ? 0.2475 0.2218 0.2460 0.0000  0.0053  -0.0114 122 SER D OG  
3512 N N   . THR D 109 ? 0.1633 0.1765 0.1756 0.0286  -0.0241 -0.0326 123 THR D N   
3513 C CA  . THR D 109 ? 0.1380 0.1578 0.1859 0.0059  -0.0534 -0.0014 123 THR D CA  
3514 C C   . THR D 109 ? 0.1619 0.1617 0.1661 -0.0035 -0.0112 -0.0106 123 THR D C   
3515 O O   . THR D 109 ? 0.1824 0.1633 0.1608 0.0146  0.0112  -0.0360 123 THR D O   
3516 C CB  . THR D 109 ? 0.1284 0.1598 0.2139 0.0213  -0.0346 -0.0086 123 THR D CB  
3517 O OG1 . THR D 109 ? 0.1978 0.1486 0.2383 0.0235  -0.0043 -0.0275 123 THR D OG1 
3518 C CG2 . THR D 109 ? 0.1511 0.1876 0.2012 0.0352  -0.0230 -0.0175 123 THR D CG2 
3519 N N   . LEU D 110 ? 0.1816 0.1782 0.1649 0.0176  -0.0187 0.0170  124 LEU D N   
3520 C CA  . LEU D 110 ? 0.1362 0.1720 0.1568 0.0332  -0.0116 0.0082  124 LEU D CA  
3521 C C   . LEU D 110 ? 0.2004 0.2038 0.1532 0.0061  -0.0180 -0.0195 124 LEU D C   
3522 O O   . LEU D 110 ? 0.2003 0.2120 0.1431 0.0312  -0.0332 -0.0249 124 LEU D O   
3523 C CB  . LEU D 110 ? 0.1238 0.1813 0.1923 0.0066  0.0168  -0.0259 124 LEU D CB  
3524 C CG  . LEU D 110 ? 0.1145 0.1896 0.2216 -0.0168 -0.0001 -0.0337 124 LEU D CG  
3525 C CD1 . LEU D 110 ? 0.1448 0.2328 0.2442 0.0152  0.0089  -0.0440 124 LEU D CD1 
3526 C CD2 . LEU D 110 ? 0.1394 0.1860 0.2368 -0.0066 -0.0686 -0.0032 124 LEU D CD2 
3527 N N   . VAL D 111 ? 0.1827 0.1828 0.1317 -0.0020 -0.0035 -0.0023 125 VAL D N   
3528 C CA  . VAL D 111 ? 0.1710 0.1927 0.1377 0.0219  -0.0248 0.0198  125 VAL D CA  
3529 C C   . VAL D 111 ? 0.1843 0.1974 0.1297 0.0309  -0.0305 0.0022  125 VAL D C   
3530 O O   . VAL D 111 ? 0.1863 0.1885 0.1581 0.0278  -0.0298 -0.0244 125 VAL D O   
3531 C CB  . VAL D 111 ? 0.2112 0.1988 0.1378 0.0167  -0.0274 -0.0152 125 VAL D CB  
3532 C CG1 . VAL D 111 ? 0.2166 0.1848 0.1386 -0.0053 -0.0208 -0.0252 125 VAL D CG1 
3533 C CG2 . VAL D 111 ? 0.1896 0.1704 0.1424 0.0378  -0.0316 0.0096  125 VAL D CG2 
3534 N N   . GLY D 112 ? 0.1682 0.1961 0.1050 0.0503  0.0049  0.0194  126 GLY D N   
3535 C CA  . GLY D 112 ? 0.1852 0.1918 0.1206 0.0293  -0.0160 0.0178  126 GLY D CA  
3536 C C   . GLY D 112 ? 0.2064 0.1812 0.1122 0.0130  0.0053  -0.0021 126 GLY D C   
3537 O O   . GLY D 112 ? 0.1651 0.1798 0.1447 -0.0122 -0.0086 0.0047  126 GLY D O   
3538 N N   . HIS D 113 ? 0.2181 0.1573 0.1269 0.0014  -0.0051 0.0131  127 HIS D N   
3539 C CA  . HIS D 113 ? 0.2384 0.1670 0.1187 -0.0240 0.0065  -0.0010 127 HIS D CA  
3540 C C   . HIS D 113 ? 0.2253 0.1997 0.1402 -0.0405 -0.0049 0.0064  127 HIS D C   
3541 O O   . HIS D 113 ? 0.2560 0.2474 0.1645 -0.0658 0.0068  0.0095  127 HIS D O   
3542 C CB  . HIS D 113 ? 0.2446 0.1781 0.2038 -0.0033 -0.0194 -0.0131 127 HIS D CB  
3543 C CG  . HIS D 113 ? 0.3570 0.1721 0.2967 0.0003  0.0194  -0.0387 127 HIS D CG  
3544 N ND1 . HIS D 113 ? 0.4300 0.1878 0.3766 -0.0366 0.0199  -0.0477 127 HIS D ND1 
3545 C CD2 . HIS D 113 ? 0.3880 0.1631 0.3226 -0.0218 0.0010  -0.0593 127 HIS D CD2 
3546 C CE1 . HIS D 113 ? 0.4325 0.1841 0.3887 -0.0344 0.0299  -0.0509 127 HIS D CE1 
3547 N NE2 . HIS D 113 ? 0.4337 0.1931 0.3851 -0.0234 0.0218  -0.0735 127 HIS D NE2 
3548 N N   . ASP D 114 ? 0.2191 0.1906 0.1391 -0.0083 -0.0057 0.0021  128 ASP D N   
3549 C CA  . ASP D 114 ? 0.2377 0.2046 0.1148 -0.0315 -0.0199 -0.0056 128 ASP D CA  
3550 C C   . ASP D 114 ? 0.2244 0.1912 0.1266 -0.0047 0.0148  0.0063  128 ASP D C   
3551 O O   . ASP D 114 ? 0.2172 0.2093 0.1933 -0.0135 0.0010  -0.0002 128 ASP D O   
3552 C CB  . ASP D 114 ? 0.2522 0.2288 0.1631 -0.0363 -0.0140 -0.0212 128 ASP D CB  
3553 C CG  . ASP D 114 ? 0.2667 0.2727 0.2519 -0.0393 -0.0385 -0.0583 128 ASP D CG  
3554 O OD1 . ASP D 114 ? 0.2877 0.3103 0.3795 -0.0229 -0.0485 -0.0591 128 ASP D OD1 
3555 O OD2 . ASP D 114 ? 0.2494 0.2799 0.2218 -0.0800 -0.0141 -0.0158 128 ASP D OD2 
3556 N N   A THR D 115 ? 0.2400 0.2068 0.1240 0.0066  0.0237  0.0102  129 THR D N   
3557 N N   B THR D 115 ? 0.2290 0.1976 0.1252 -0.0058 0.0120  0.0101  129 THR D N   
3558 C CA  A THR D 115 ? 0.2775 0.2156 0.1302 0.0153  0.0259  0.0164  129 THR D CA  
3559 C CA  B THR D 115 ? 0.2573 0.1995 0.1328 -0.0105 0.0009  0.0091  129 THR D CA  
3560 C C   A THR D 115 ? 0.2288 0.2232 0.1461 -0.0219 0.0078  -0.0009 129 THR D C   
3561 C C   B THR D 115 ? 0.2261 0.2156 0.1440 -0.0262 -0.0010 0.0019  129 THR D C   
3562 O O   A THR D 115 ? 0.2081 0.2339 0.1824 -0.0274 0.0127  -0.0076 129 THR D O   
3563 O O   B THR D 115 ? 0.2183 0.2262 0.1660 -0.0308 0.0042  -0.0041 129 THR D O   
3564 C CB  A THR D 115 ? 0.3637 0.2202 0.1867 0.0402  0.0152  0.0440  129 THR D CB  
3565 C CB  B THR D 115 ? 0.3185 0.1877 0.1648 -0.0066 -0.0281 0.0106  129 THR D CB  
3566 O OG1 A THR D 115 ? 0.4051 0.2234 0.2086 0.0567  0.0496  0.0446  129 THR D OG1 
3567 O OG1 B THR D 115 ? 0.3516 0.1903 0.2110 0.0168  -0.0408 0.0130  129 THR D OG1 
3568 C CG2 A THR D 115 ? 0.3980 0.2336 0.2386 0.0552  -0.0080 0.0448  129 THR D CG2 
3569 C CG2 B THR D 115 ? 0.3226 0.1845 0.1600 -0.0280 -0.0368 -0.0069 129 THR D CG2 
3570 N N   . PHE D 116 ? 0.2217 0.2110 0.1372 -0.0177 -0.0086 0.0189  130 PHE D N   
3571 C CA  . PHE D 116 ? 0.2238 0.1923 0.1370 -0.0193 -0.0009 -0.0109 130 PHE D CA  
3572 C C   . PHE D 116 ? 0.2242 0.1997 0.1461 -0.0167 0.0056  -0.0017 130 PHE D C   
3573 O O   . PHE D 116 ? 0.2060 0.2249 0.1684 -0.0350 0.0225  0.0028  130 PHE D O   
3574 C CB  . PHE D 116 ? 0.2217 0.1946 0.1628 -0.0304 0.0202  -0.0179 130 PHE D CB  
3575 C CG  . PHE D 116 ? 0.2330 0.1886 0.1637 -0.0097 0.0134  0.0188  130 PHE D CG  
3576 C CD1 . PHE D 116 ? 0.2473 0.1712 0.1573 -0.0017 0.0140  0.0132  130 PHE D CD1 
3577 C CD2 . PHE D 116 ? 0.2135 0.2068 0.1853 0.0014  -0.0293 0.0298  130 PHE D CD2 
3578 C CE1 . PHE D 116 ? 0.2669 0.1696 0.1673 0.0006  0.0193  -0.0066 130 PHE D CE1 
3579 C CE2 . PHE D 116 ? 0.2524 0.1967 0.1871 -0.0183 -0.0061 0.0286  130 PHE D CE2 
3580 C CZ  . PHE D 116 ? 0.2987 0.1777 0.1697 -0.0137 -0.0130 -0.0052 130 PHE D CZ  
3581 N N   . THR D 117 ? 0.2590 0.2004 0.1241 -0.0338 0.0084  0.0080  131 THR D N   
3582 C CA  . THR D 117 ? 0.2941 0.2188 0.1793 -0.0293 0.0189  -0.0239 131 THR D CA  
3583 C C   . THR D 117 ? 0.2256 0.2215 0.1674 -0.0359 0.0152  -0.0004 131 THR D C   
3584 O O   . THR D 117 ? 0.2056 0.2002 0.1834 -0.0042 0.0138  0.0081  131 THR D O   
3585 C CB  . THR D 117 ? 0.3849 0.2194 0.2849 -0.0107 0.0615  -0.0428 131 THR D CB  
3586 O OG1 . THR D 117 ? 0.3908 0.2465 0.3733 -0.0525 0.1053  -0.0350 131 THR D OG1 
3587 C CG2 . THR D 117 ? 0.4367 0.2203 0.2745 -0.0087 0.0832  -0.0369 131 THR D CG2 
3588 N N   . LYS D 118 ? 0.2138 0.2698 0.1455 -0.0100 0.0002  0.0110  132 LYS D N   
3589 C CA  . LYS D 118 ? 0.1854 0.3209 0.1365 -0.0137 -0.0376 0.0330  132 LYS D CA  
3590 C C   . LYS D 118 ? 0.1908 0.3324 0.1505 -0.0355 0.0224  0.0519  132 LYS D C   
3591 O O   . LYS D 118 ? 0.2029 0.3243 0.1722 0.0111  0.0316  0.0358  132 LYS D O   
3592 C CB  . LYS D 118 ? 0.2588 0.3560 0.1619 -0.0234 -0.0304 -0.0193 132 LYS D CB  
3593 C CG  . LYS D 118 ? 0.2258 0.3950 0.1987 -0.0375 -0.0333 -0.0335 132 LYS D CG  
3594 C CD  . LYS D 118 ? 0.3003 0.4247 0.2997 -0.0595 0.0224  -0.0335 132 LYS D CD  
3595 C CE  . LYS D 118 ? 0.3430 0.4397 0.3584 -0.0438 0.0916  -0.0393 132 LYS D CE  
3596 N NZ  . LYS D 118 ? 0.4040 0.4647 0.4159 -0.0175 0.1337  -0.0379 132 LYS D NZ  
3597 N N   . VAL D 119 ? 0.2176 0.3347 0.2243 -0.0861 -0.0083 0.0629  133 VAL D N   
3598 C CA  . VAL D 119 ? 0.3352 0.3606 0.3041 -0.1200 -0.0090 0.1050  133 VAL D CA  
3599 C C   . VAL D 119 ? 0.3525 0.4001 0.4361 -0.1568 -0.0120 0.1043  133 VAL D C   
3600 O O   . VAL D 119 ? 0.4122 0.4043 0.4431 -0.1629 -0.0622 0.0539  133 VAL D O   
3601 C CB  . VAL D 119 ? 0.3713 0.3696 0.3501 -0.1004 -0.0505 0.1224  133 VAL D CB  
3602 C CG1 . VAL D 119 ? 0.3485 0.3673 0.3724 -0.1113 -0.0426 0.1317  133 VAL D CG1 
3603 C CG2 . VAL D 119 ? 0.4254 0.3804 0.3825 -0.0704 -0.0792 0.1139  133 VAL D CG2 
3604 N N   . LYS D 120 ? 0.4793 0.4553 0.5717 -0.1424 0.0157  0.1125  134 LYS D N   
3605 C CA  . LYS D 120 ? 0.5532 0.4969 0.6562 -0.1344 0.0396  0.0845  134 LYS D CA  
3606 C C   . LYS D 120 ? 0.5534 0.5076 0.6626 -0.1569 -0.0009 0.0862  134 LYS D C   
3607 O O   . LYS D 120 ? 0.5607 0.5133 0.6633 -0.1682 -0.0197 0.0709  134 LYS D O   
3608 C CB  . LYS D 120 ? 0.5716 0.5140 0.7063 -0.1393 0.0776  0.0748  134 LYS D CB  
3609 C CG  . LYS D 120 ? 0.6122 0.5142 0.7361 -0.1380 0.0979  0.0580  134 LYS D CG  
3610 C CD  . LYS D 120 ? 0.6466 0.5286 0.7535 -0.1102 0.0820  0.0513  134 LYS D CD  
3611 C CE  . LYS D 120 ? 0.6880 0.5479 0.7785 -0.0863 0.0592  0.0355  134 LYS D CE  
3612 N NZ  . LYS D 120 ? 0.7251 0.5582 0.7960 -0.0684 0.0384  0.0279  134 LYS D NZ  
3613 C C10 . 6FX E .   ? 0.3317 0.2985 0.3484 -0.0015 -0.0119 -0.0059 201 6FX A C10 
3614 C C11 . 6FX E .   ? 0.1696 0.2147 0.2117 -0.0289 -0.0529 -0.0249 201 6FX A C11 
3615 O O3  . 6FX E .   ? 0.4259 0.3479 0.2614 0.1085  -0.0312 -0.0482 201 6FX A O3  
3616 C C13 . 6FX E .   ? 0.3543 0.3518 0.2884 0.0717  -0.0790 -0.0326 201 6FX A C13 
3617 O O4  . 6FX E .   ? 0.4579 0.3511 0.3408 0.0863  -0.0492 -0.0082 201 6FX A O4  
3618 C C14 . 6FX E .   ? 0.4213 0.3428 0.3104 0.1358  -0.0614 0.0150  201 6FX A C14 
3619 C C5  . 6FX E .   ? 0.2425 0.3459 0.2816 -0.0268 -0.0122 -0.0257 201 6FX A C5  
3620 C C1  . 6FX E .   ? 0.3099 0.3360 0.2774 -0.0240 0.0557  -0.0013 201 6FX A C1  
3621 C C4  . 6FX E .   ? 0.2163 0.3385 0.3243 -0.0241 0.0813  -0.0051 201 6FX A C4  
3622 C C3  . 6FX E .   ? 0.1827 0.3318 0.3122 -0.0239 0.0095  -0.0199 201 6FX A C3  
3623 C C2  . 6FX E .   ? 0.2673 0.3449 0.3175 -0.0043 0.0290  -0.0147 201 6FX A C2  
3624 N N1  . 6FX E .   ? 0.3297 0.3541 0.3044 0.0107  0.0235  -0.0053 201 6FX A N1  
3625 C C6  . 6FX E .   ? 0.2375 0.3355 0.3222 -0.0129 -0.0020 -0.0150 201 6FX A C6  
3626 O O1  . 6FX E .   ? 0.2737 0.3275 0.2885 0.0289  -0.0776 -0.0006 201 6FX A O1  
3627 C C9  . 6FX E .   ? 0.2683 0.2795 0.2964 0.0306  -0.0599 0.0022  201 6FX A C9  
3628 C C12 . 6FX E .   ? 0.0738 0.1951 0.1227 0.0171  -0.0372 -0.0335 201 6FX A C12 
3629 N N2  . 6FX E .   ? 0.2863 0.2638 0.2955 -0.0255 -0.0665 -0.0413 201 6FX A N2  
3630 O O2  . 6FX E .   ? 0.2783 0.2817 0.3096 0.0344  -0.0169 -0.0150 201 6FX A O2  
3631 C C8  . 6FX E .   ? 0.2946 0.3110 0.3428 0.0193  -0.0093 0.0315  201 6FX A C8  
3632 C C7  . 6FX E .   ? 0.2593 0.3365 0.3170 -0.0196 -0.0099 0.0034  201 6FX A C7  
3633 C C10 . 6FX F .   ? 0.2990 0.3614 0.3161 0.0400  -0.0143 -0.0827 201 6FX B C10 
3634 C C11 . 6FX F .   ? 0.1437 0.3245 0.2789 0.0408  -0.0629 -0.1024 201 6FX B C11 
3635 O O3  . 6FX F .   ? 0.4608 0.5176 0.5011 0.0077  0.0629  -0.0085 201 6FX B O3  
3636 C C13 . 6FX F .   ? 0.4192 0.5083 0.4624 0.0019  0.0245  0.0015  201 6FX B C13 
3637 O O4  . 6FX F .   ? 0.4354 0.5390 0.4692 -0.0459 -0.0103 0.0111  201 6FX B O4  
3638 C C14 . 6FX F .   ? 0.4717 0.5484 0.4748 -0.0544 -0.0411 0.0334  201 6FX B C14 
3639 C C5  . 6FX F .   ? 0.3128 0.4607 0.3994 0.0359  -0.0512 0.0088  201 6FX B C5  
3640 C C1  . 6FX F .   ? 0.3138 0.4440 0.3878 0.0630  -0.0488 0.0250  201 6FX B C1  
3641 C C4  . 6FX F .   ? 0.2707 0.4376 0.3779 0.0476  -0.0665 0.0112  201 6FX B C4  
3642 C C3  . 6FX F .   ? 0.2683 0.4176 0.3519 0.0476  -0.0536 0.0000  201 6FX B C3  
3643 C C2  . 6FX F .   ? 0.2822 0.4219 0.3641 0.0815  -0.0569 0.0206  201 6FX B C2  
3644 N N1  . 6FX F .   ? 0.3039 0.4330 0.3876 0.0765  -0.0418 0.0326  201 6FX B N1  
3645 C C6  . 6FX F .   ? 0.2823 0.3993 0.3301 0.0153  -0.0753 -0.0516 201 6FX B C6  
3646 O O1  . 6FX F .   ? 0.2737 0.3889 0.3394 0.0011  -0.0801 -0.0676 201 6FX B O1  
3647 C C9  . 6FX F .   ? 0.1643 0.3619 0.3248 0.0154  -0.0597 -0.0958 201 6FX B C9  
3648 C C12 . 6FX F .   ? 0.1153 0.2618 0.2469 0.0449  -0.0587 -0.0933 201 6FX B C12 
3649 N N2  . 6FX F .   ? 0.2219 0.3624 0.3004 0.0491  -0.0463 -0.0952 201 6FX B N2  
3650 O O2  . 6FX F .   ? 0.3694 0.3261 0.2988 0.0881  -0.0401 -0.0878 201 6FX B O2  
3651 C C8  . 6FX F .   ? 0.2418 0.3664 0.3581 0.0116  -0.0331 -0.0856 201 6FX B C8  
3652 C C7  . 6FX F .   ? 0.2819 0.3817 0.3341 0.0159  -0.0715 -0.0694 201 6FX B C7  
3653 C C10 . 6FX G .   ? 0.2805 0.2582 0.3188 -0.0180 0.0047  -0.0370 201 6FX C C10 
3654 C C11 . 6FX G .   ? 0.1724 0.2017 0.2697 0.0224  -0.0053 -0.0469 201 6FX C C11 
3655 O O3  . 6FX G .   ? 0.4391 0.3359 0.4925 0.0132  0.0006  -0.0447 201 6FX C O3  
3656 C C13 . 6FX G .   ? 0.4304 0.3353 0.4988 0.0079  0.0033  -0.0593 201 6FX C C13 
3657 O O4  . 6FX G .   ? 0.5145 0.3518 0.5772 0.0301  0.0160  -0.0665 201 6FX C O4  
3658 C C14 . 6FX G .   ? 0.5183 0.3566 0.5829 0.0867  -0.0054 -0.0473 201 6FX C C14 
3659 C C5  . 6FX G .   ? 0.3350 0.3054 0.3831 0.0261  -0.0241 -0.0661 201 6FX C C5  
3660 C C1  . 6FX G .   ? 0.3117 0.2818 0.3536 0.0355  -0.0193 -0.0525 201 6FX C C1  
3661 C C4  . 6FX G .   ? 0.2876 0.2904 0.3537 0.0616  -0.0329 -0.0512 201 6FX C C4  
3662 C C3  . 6FX G .   ? 0.2885 0.2540 0.3052 0.0630  -0.0270 -0.0259 201 6FX C C3  
3663 C C2  . 6FX G .   ? 0.2590 0.2536 0.3209 0.0665  -0.0633 -0.0522 201 6FX C C2  
3664 N N1  . 6FX G .   ? 0.3100 0.2642 0.3344 0.0406  -0.0283 -0.0371 201 6FX C N1  
3665 C C6  . 6FX G .   ? 0.2979 0.2391 0.3077 0.0414  0.0148  -0.0290 201 6FX C C6  
3666 O O1  . 6FX G .   ? 0.2957 0.2386 0.3090 0.0280  0.0496  -0.0450 201 6FX C O1  
3667 C C9  . 6FX G .   ? 0.1899 0.2312 0.3148 0.0080  0.0002  -0.0562 201 6FX C C9  
3668 C C12 . 6FX G .   ? 0.0855 0.1974 0.1847 0.0425  -0.0168 -0.0630 201 6FX C C12 
3669 N N2  . 6FX G .   ? 0.2407 0.2394 0.2883 0.0159  0.0099  -0.0674 201 6FX C N2  
3670 O O2  . 6FX G .   ? 0.2660 0.2598 0.2912 -0.0316 -0.0150 -0.0455 201 6FX C O2  
3671 C C8  . 6FX G .   ? 0.2410 0.2581 0.3037 -0.0229 0.0131  -0.0192 201 6FX C C8  
3672 C C7  . 6FX G .   ? 0.3023 0.2363 0.2844 0.0274  0.0187  -0.0176 201 6FX C C7  
3673 C C10 . 6FX H .   ? 0.2973 0.3150 0.2948 0.0154  0.0327  -0.0625 201 6FX D C10 
3674 C C11 . 6FX H .   ? 0.1883 0.2512 0.2276 0.0843  -0.0102 -0.0779 201 6FX D C11 
3675 O O3  . 6FX H .   ? 0.5203 0.4034 0.5601 0.0829  -0.0204 -0.0518 201 6FX D O3  
3676 C C13 . 6FX H .   ? 0.4698 0.3942 0.5460 0.0425  -0.0226 -0.0532 201 6FX D C13 
3677 O O4  . 6FX H .   ? 0.5000 0.4108 0.5538 0.0116  -0.0290 -0.0605 201 6FX D O4  
3678 C C14 . 6FX H .   ? 0.4760 0.4031 0.5466 -0.0036 -0.0544 -0.0748 201 6FX D C14 
3679 C C5  . 6FX H .   ? 0.3532 0.3634 0.5056 0.0285  -0.0330 -0.0610 201 6FX D C5  
3680 C C1  . 6FX H .   ? 0.3371 0.3521 0.5080 0.0320  -0.0348 -0.0458 201 6FX D C1  
3681 C C4  . 6FX H .   ? 0.3058 0.3393 0.4786 0.0050  -0.0535 -0.0607 201 6FX D C4  
3682 C C3  . 6FX H .   ? 0.2816 0.3219 0.4422 0.0182  -0.0586 -0.0588 201 6FX D C3  
3683 C C2  . 6FX H .   ? 0.2897 0.3363 0.4594 0.0138  -0.0673 -0.0617 201 6FX D C2  
3684 N N1  . 6FX H .   ? 0.3084 0.3447 0.5049 0.0563  -0.0439 -0.0530 201 6FX D N1  
3685 C C6  . 6FX H .   ? 0.2954 0.3066 0.3815 0.0404  -0.0087 -0.0879 201 6FX D C6  
3686 O O1  . 6FX H .   ? 0.3499 0.2972 0.3538 0.0662  0.0328  -0.0912 201 6FX D O1  
3687 C C9  . 6FX H .   ? 0.2871 0.2891 0.3018 0.0867  -0.0111 -0.0757 201 6FX D C9  
3688 C C12 . 6FX H .   ? 0.1787 0.2402 0.2658 0.0961  -0.0643 -0.0945 201 6FX D C12 
3689 N N2  . 6FX H .   ? 0.2557 0.2942 0.2708 0.0368  -0.0147 -0.0693 201 6FX D N2  
3690 O O2  . 6FX H .   ? 0.3117 0.3204 0.2710 -0.0084 0.0799  -0.0658 201 6FX D O2  
3691 C C8  . 6FX H .   ? 0.2652 0.3005 0.3388 0.0588  -0.0073 -0.0547 201 6FX D C8  
3692 C C7  . 6FX H .   ? 0.2679 0.2994 0.3526 0.0258  0.0176  -0.0934 201 6FX D C7  
3693 O O   A HOH I .   ? 0.3963 0.3218 0.3637 0.0441  0.0577  0.1985  301 HOH A O   
3694 O O   B HOH I .   ? 0.5730 0.4404 0.4746 0.2238  0.0778  0.0795  301 HOH A O   
3695 O O   . HOH I .   ? 0.6072 0.6139 0.6698 0.1380  0.0034  0.0096  302 HOH A O   
3696 O O   . HOH I .   ? 0.4495 0.7646 0.4462 0.1085  -0.0492 -0.0841 303 HOH A O   
3697 O O   . HOH I .   ? 0.4280 0.6558 0.6455 -0.0961 0.1949  0.2176  304 HOH A O   
3698 O O   . HOH I .   ? 0.3667 0.4599 0.4493 0.1228  0.0998  0.1432  305 HOH A O   
3699 O O   . HOH I .   ? 0.5031 0.5898 0.6567 0.1910  0.2589  0.3275  306 HOH A O   
3700 O O   . HOH I .   ? 0.5907 0.8006 0.5191 0.1747  -0.0641 0.2476  307 HOH A O   
3701 O O   . HOH I .   ? 0.3418 0.4105 0.8120 -0.0685 -0.1615 -0.0109 308 HOH A O   
3702 O O   . HOH I .   ? 0.4970 0.4235 0.4546 0.1399  0.0729  0.0409  309 HOH A O   
3703 O O   . HOH I .   ? 0.7781 0.2554 0.2664 0.0618  -0.0296 0.0368  310 HOH A O   
3704 O O   . HOH I .   ? 0.4937 0.2333 0.5674 0.1240  -0.0888 -0.0351 311 HOH A O   
3705 O O   . HOH I .   ? 0.5684 0.2886 0.6044 0.0918  -0.0465 -0.1302 312 HOH A O   
3706 O O   . HOH I .   ? 0.7557 0.3728 0.4092 0.2624  0.1702  0.0913  313 HOH A O   
3707 O O   . HOH I .   ? 0.2711 0.2954 0.3193 -0.0523 0.0607  -0.0094 314 HOH A O   
3708 O O   . HOH I .   ? 0.3535 0.2321 0.4299 0.0117  0.1013  -0.0201 315 HOH A O   
3709 O O   . HOH I .   ? 0.6554 0.3789 0.7166 -0.1900 0.0810  0.1501  316 HOH A O   
3710 O O   . HOH I .   ? 0.1875 0.2707 0.2820 0.0307  0.0206  0.0507  317 HOH A O   
3711 O O   . HOH I .   ? 0.2516 0.2619 0.3130 0.0427  -0.0480 0.0184  318 HOH A O   
3712 O O   . HOH I .   ? 0.2679 0.2976 0.2992 0.0452  0.0246  0.0124  319 HOH A O   
3713 O O   . HOH I .   ? 0.3017 0.2905 0.5356 -0.0365 0.0964  -0.0599 320 HOH A O   
3714 O O   . HOH I .   ? 0.2123 0.1634 0.1710 -0.0064 0.0173  -0.0479 321 HOH A O   
3715 O O   . HOH I .   ? 0.2761 0.1927 0.2967 0.0929  -0.0002 -0.0336 322 HOH A O   
3716 O O   . HOH I .   ? 0.3128 0.5429 0.4673 0.0454  -0.0564 -0.0879 323 HOH A O   
3717 O O   . HOH I .   ? 0.4234 0.1598 0.3850 0.0249  -0.1811 0.0200  324 HOH A O   
3718 O O   . HOH I .   ? 0.5885 0.4443 0.3872 -0.1665 0.1720  -0.1360 325 HOH A O   
3719 O O   . HOH I .   ? 0.7002 0.3034 0.5477 -0.0097 0.0438  -0.0445 326 HOH A O   
3720 O O   . HOH I .   ? 0.3779 0.6557 0.4112 -0.0185 -0.0241 -0.1196 327 HOH A O   
3721 O O   . HOH I .   ? 0.6752 0.5073 0.4667 0.1241  0.2196  0.1869  328 HOH A O   
3722 O O   . HOH I .   ? 0.2596 0.2302 0.2096 0.1068  -0.0031 0.0289  329 HOH A O   
3723 O O   . HOH I .   ? 0.4940 0.2032 0.2639 -0.0472 -0.0314 0.0094  330 HOH A O   
3724 O O   . HOH I .   ? 0.8104 0.3402 0.2635 -0.1464 -0.1161 -0.0157 331 HOH A O   
3725 O O   . HOH I .   ? 0.3945 0.3678 0.4641 0.2097  0.0746  0.1086  332 HOH A O   
3726 O O   . HOH I .   ? 0.3797 0.3388 0.5508 0.1661  -0.1614 -0.1585 333 HOH A O   
3727 O O   . HOH I .   ? 0.1841 0.1507 0.2177 -0.0144 -0.0002 -0.0034 334 HOH A O   
3728 O O   . HOH I .   ? 0.1891 0.2361 0.1792 -0.0051 -0.0294 -0.0227 335 HOH A O   
3729 O O   . HOH I .   ? 0.2953 0.8688 0.3740 0.0999  -0.0413 0.0077  336 HOH A O   
3730 O O   . HOH I .   ? 0.5072 0.4303 0.5206 0.1447  0.0818  -0.0590 337 HOH A O   
3731 O O   . HOH I .   ? 0.2237 0.3784 0.3032 -0.0945 -0.0080 -0.0709 338 HOH A O   
3732 O O   . HOH I .   ? 0.3335 0.3919 0.7812 0.0046  0.1830  0.2013  339 HOH A O   
3733 O O   . HOH I .   ? 0.3527 0.5077 0.5323 0.0644  -0.0760 -0.0296 340 HOH A O   
3734 O O   . HOH I .   ? 0.2883 0.2277 0.2900 -0.0203 0.0520  0.0090  341 HOH A O   
3735 O O   . HOH I .   ? 0.2081 0.2597 0.2066 -0.0031 -0.0211 -0.0308 342 HOH A O   
3736 O O   . HOH I .   ? 0.4503 0.7394 0.5017 0.2545  -0.0537 -0.1900 343 HOH A O   
3737 O O   . HOH I .   ? 0.4754 0.5813 0.2733 -0.0331 -0.1090 0.0542  344 HOH A O   
3738 O O   . HOH I .   ? 0.3279 0.6421 0.4819 0.1741  -0.0658 0.0044  345 HOH A O   
3739 O O   . HOH I .   ? 0.6034 0.5041 0.4228 0.2892  -0.0472 -0.0984 346 HOH A O   
3740 O O   . HOH I .   ? 0.5004 0.1883 0.2674 0.0802  -0.0405 0.0502  347 HOH A O   
3741 O O   . HOH I .   ? 0.3313 0.2515 0.5839 -0.0577 0.0747  -0.0597 348 HOH A O   
3742 O O   . HOH I .   ? 0.6435 0.4007 0.5877 -0.0011 -0.0357 -0.1900 349 HOH A O   
3743 O O   . HOH I .   ? 0.4788 0.7805 0.4895 -0.0765 -0.0961 0.1016  350 HOH A O   
3744 O O   . HOH I .   ? 0.5968 0.3498 0.3192 -0.1616 -0.0903 0.0286  351 HOH A O   
3745 O O   . HOH I .   ? 0.4314 0.5290 0.6378 0.1718  -0.0085 0.0245  352 HOH A O   
3746 O O   . HOH I .   ? 0.5323 0.6481 0.6207 -0.1813 0.1007  -0.0152 353 HOH A O   
3747 O O   . HOH I .   ? 0.5146 0.2163 0.4914 -0.0227 -0.1900 0.0650  354 HOH A O   
3748 O O   . HOH I .   ? 0.6307 0.4160 0.8082 0.2830  -0.0589 0.0582  355 HOH A O   
3749 O O   . HOH I .   ? 0.2965 0.1568 0.3666 -0.0078 0.0145  0.0756  356 HOH A O   
3750 O O   . HOH I .   ? 0.4449 0.6741 0.6959 0.1884  0.1283  -0.1871 357 HOH A O   
3751 O O   . HOH I .   ? 0.5215 0.7516 0.3562 -0.1080 -0.1344 0.1590  358 HOH A O   
3752 O O   . HOH I .   ? 0.2935 0.3262 0.6268 -0.0787 0.0308  0.0682  359 HOH A O   
3753 O O   . HOH I .   ? 0.2709 0.2960 0.3094 -0.0220 -0.0144 -0.0456 360 HOH A O   
3754 O O   . HOH I .   ? 0.3833 0.7734 0.5023 -0.1477 0.0774  -0.0070 361 HOH A O   
3755 O O   . HOH I .   ? 0.4852 0.2372 0.2240 0.0627  -0.0512 0.0538  362 HOH A O   
3756 O O   . HOH I .   ? 0.6652 0.4576 0.4932 0.1014  0.1207  0.0736  363 HOH A O   
3757 O O   . HOH I .   ? 0.4859 0.1806 0.2907 0.1128  -0.0103 -0.0019 364 HOH A O   
3758 O O   . HOH I .   ? 0.4627 0.1639 0.4454 0.0431  -0.0811 -0.0090 365 HOH A O   
3759 O O   . HOH I .   ? 0.2531 0.4462 0.2973 0.0666  -0.0430 0.0931  366 HOH A O   
3760 O O   . HOH I .   ? 0.6709 0.3009 0.5195 0.0104  -0.0055 0.0854  367 HOH A O   
3761 O O   . HOH I .   ? 0.4680 0.7079 0.4393 0.1553  -0.1184 -0.0984 368 HOH A O   
3762 O O   . HOH I .   ? 0.8097 0.4232 0.3024 0.0046  0.1125  0.0363  369 HOH A O   
3763 O O   . HOH I .   ? 0.3303 0.2691 0.3781 -0.0515 0.0668  -0.0511 370 HOH A O   
3764 O O   . HOH I .   ? 0.3671 0.3337 0.5854 -0.0899 0.0255  -0.1190 371 HOH A O   
3765 O O   . HOH I .   ? 0.6576 0.3951 0.3688 0.0509  0.0811  -0.0763 372 HOH A O   
3766 O O   . HOH I .   ? 0.2146 0.2463 0.2069 -0.0270 0.0153  0.0112  373 HOH A O   
3767 O O   . HOH I .   ? 0.2515 0.2784 0.3725 0.0095  0.1054  0.0039  374 HOH A O   
3768 O O   . HOH I .   ? 0.5094 0.6593 0.6116 -0.1733 0.2168  -0.0185 375 HOH A O   
3769 O O   . HOH I .   ? 0.6027 0.4401 0.5747 -0.0639 -0.1117 -0.1900 376 HOH A O   
3770 O O   . HOH I .   ? 0.4838 0.2966 0.3650 -0.0350 -0.0628 -0.0452 377 HOH A O   
3771 O O   . HOH I .   ? 0.4213 0.4929 1.0235 0.1136  0.0862  0.0656  378 HOH A O   
3772 O O   . HOH I .   ? 0.4502 0.4065 0.7105 0.1864  -0.1482 0.0503  379 HOH A O   
3773 O O   . HOH I .   ? 0.5955 0.4559 0.8021 0.2782  -0.1163 -0.0916 380 HOH A O   
3774 O O   . HOH I .   ? 0.3153 0.3160 0.2316 0.1149  -0.0042 0.0455  381 HOH A O   
3775 O O   . HOH I .   ? 0.2467 0.2478 0.2533 0.0642  0.0093  -0.0507 382 HOH A O   
3776 O O   . HOH I .   ? 0.3177 0.2973 0.3658 0.0126  -0.0764 -0.0048 383 HOH A O   
3777 O O   . HOH I .   ? 0.5184 0.6949 0.5326 -0.1360 0.0979  -0.1653 384 HOH A O   
3778 O O   . HOH I .   ? 0.6081 0.2808 0.5463 -0.0097 -0.1054 0.1120  385 HOH A O   
3779 O O   . HOH I .   ? 0.4330 0.1470 0.2824 0.0562  0.1040  0.0347  386 HOH A O   
3780 O O   . HOH I .   ? 0.3363 0.3052 0.3386 -0.0149 0.0086  -0.0178 387 HOH A O   
3781 O O   . HOH I .   ? 0.6428 0.4368 0.6801 0.2651  0.0544  -0.1095 388 HOH A O   
3782 O O   . HOH I .   ? 0.3266 0.3886 0.4651 0.0392  0.0130  -0.0639 389 HOH A O   
3783 O O   . HOH I .   ? 0.5291 0.4650 0.4905 0.1531  0.1028  0.1092  390 HOH A O   
3784 O O   . HOH I .   ? 0.8311 0.5216 0.4135 0.0522  0.0999  0.1609  391 HOH A O   
3785 O O   . HOH I .   ? 0.3737 0.5906 0.4712 0.1562  0.0176  -0.0016 392 HOH A O   
3786 O O   . HOH I .   ? 0.4901 0.3755 0.5032 0.1149  0.0854  0.0955  393 HOH A O   
3787 O O   . HOH I .   ? 0.3912 0.2412 0.4418 0.0191  -0.0743 0.0221  394 HOH A O   
3788 O O   . HOH I .   ? 0.2669 0.2399 0.2641 -0.0011 -0.0074 0.0515  395 HOH A O   
3789 O O   . HOH I .   ? 0.4535 0.4502 0.3455 0.0558  -0.0080 -0.0078 396 HOH A O   
3790 O O   . HOH I .   ? 0.3379 0.1944 0.3350 0.0707  -0.0026 0.0079  397 HOH A O   
3791 O O   . HOH I .   ? 0.3257 0.2731 0.6420 0.0440  0.0681  0.0141  398 HOH A O   
3792 O O   . HOH I .   ? 0.4748 0.2374 0.3834 0.0254  0.0813  0.1095  399 HOH A O   
3793 O O   . HOH I .   ? 0.3447 0.4667 0.7571 0.0971  0.1181  -0.1249 400 HOH A O   
3794 O O   . HOH I .   ? 0.4766 0.7589 0.8157 0.2758  -0.0021 -0.0506 401 HOH A O   
3795 O O   . HOH I .   ? 0.4544 0.4733 0.8431 -0.0573 0.2374  0.0448  402 HOH A O   
3796 O O   . HOH I .   ? 0.6482 0.3857 0.7889 -0.1600 -0.0396 0.2370  403 HOH A O   
3797 O O   . HOH I .   ? 0.8558 0.3775 0.3642 -0.1900 0.0941  0.0597  404 HOH A O   
3798 O O   . HOH I .   ? 0.7356 0.3501 0.4796 -0.1434 -0.0962 -0.0882 405 HOH A O   
3799 O O   . HOH I .   ? 0.2511 0.3070 0.3042 0.0633  0.0204  0.0993  406 HOH A O   
3800 O O   . HOH I .   ? 0.3574 0.2399 0.3058 0.0548  -0.0409 0.0651  407 HOH A O   
3801 O O   . HOH I .   ? 0.3974 0.3164 0.3051 -0.0161 -0.0191 0.0605  408 HOH A O   
3802 O O   . HOH I .   ? 0.2987 0.8426 0.2793 -0.0983 -0.0131 -0.0108 409 HOH A O   
3803 O O   . HOH I .   ? 0.4192 0.2175 0.5093 0.1193  0.1074  -0.0307 410 HOH A O   
3804 O O   . HOH I .   ? 0.2851 0.2143 0.3558 0.0283  0.1206  0.0716  411 HOH A O   
3805 O O   . HOH I .   ? 0.3376 0.2510 0.3402 0.0556  -0.0485 0.0233  412 HOH A O   
3806 O O   . HOH I .   ? 0.8346 0.4523 0.5477 0.1267  0.2623  0.0101  413 HOH A O   
3807 O O   . HOH I .   ? 0.8930 0.5957 0.5027 0.2338  0.3061  -0.0007 414 HOH A O   
3808 O O   . HOH I .   ? 0.7750 0.4626 0.6781 0.2860  -0.0057 -0.0299 415 HOH A O   
3809 O O   . HOH I .   ? 0.5990 0.3044 0.3624 0.0337  0.0416  0.1252  416 HOH A O   
3810 O O   . HOH I .   ? 0.3246 0.2737 0.3441 0.0112  0.0705  -0.0843 417 HOH A O   
3811 O O   . HOH I .   ? 0.4599 0.5615 0.9181 0.1964  0.0015  0.1909  418 HOH A O   
3812 O O   . HOH I .   ? 0.7989 0.5020 0.5432 0.1769  0.1028  -0.0982 419 HOH A O   
3813 O O   . HOH I .   ? 0.4085 0.5431 0.3781 0.2222  0.0343  -0.0344 420 HOH A O   
3814 O O   . HOH I .   ? 0.2411 0.3589 0.7149 -0.0788 0.0053  0.0570  421 HOH A O   
3815 O O   . HOH I .   ? 0.5071 0.7027 0.3327 -0.1900 0.0517  0.0599  422 HOH A O   
3816 O O   . HOH I .   ? 0.5111 0.3257 0.3977 -0.0898 -0.0006 -0.0347 423 HOH A O   
3817 O O   . HOH I .   ? 0.7731 0.5792 0.5902 -0.0085 -0.0603 -0.0780 424 HOH A O   
3818 O O   . HOH I .   ? 0.4184 0.4837 0.4943 0.0212  -0.0689 0.0610  425 HOH A O   
3819 O O   . HOH I .   ? 0.6296 0.4757 0.8928 0.2684  -0.0747 0.1440  426 HOH A O   
3820 O O   . HOH I .   ? 0.6542 0.4415 0.3745 -0.0603 -0.0104 0.0046  427 HOH A O   
3821 O O   . HOH I .   ? 0.4119 0.2600 0.2948 0.0333  0.0282  -0.0692 428 HOH A O   
3822 O O   . HOH I .   ? 0.4770 0.5775 0.5437 0.1160  0.1199  -0.1886 429 HOH A O   
3823 O O   . HOH I .   ? 0.4634 0.6778 0.3677 -0.0770 -0.0199 -0.1174 430 HOH A O   
3824 O O   . HOH I .   ? 0.4792 0.4268 0.7160 0.1326  0.1562  0.2875  431 HOH A O   
3825 O O   . HOH I .   ? 0.5212 0.5207 0.2754 0.1377  0.0335  0.1125  432 HOH A O   
3826 O O   . HOH I .   ? 0.2990 0.3211 0.3164 -0.0215 0.0156  -0.0060 433 HOH A O   
3827 O O   . HOH I .   ? 0.7304 0.3397 0.5776 -0.0982 0.0234  -0.0409 434 HOH A O   
3828 O O   . HOH I .   ? 0.5899 0.3938 0.7176 0.1687  -0.1370 -0.0069 435 HOH A O   
3829 O O   . HOH I .   ? 0.5418 0.7555 0.3937 0.0519  -0.0923 0.1832  436 HOH A O   
3830 O O   . HOH I .   ? 0.5688 0.3473 0.5902 0.1582  0.1376  -0.0972 437 HOH A O   
3831 O O   . HOH I .   ? 0.3043 0.3655 0.8437 -0.0277 0.1470  -0.0996 438 HOH A O   
3832 O O   . HOH I .   ? 0.3037 0.4948 0.4418 -0.0863 -0.0298 0.0529  439 HOH A O   
3833 O O   . HOH I .   ? 0.4289 0.6450 0.7058 -0.0128 0.0259  0.0135  440 HOH A O   
3834 O O   . HOH I .   ? 0.5448 0.4516 0.6966 -0.1446 0.1273  -0.1294 441 HOH A O   
3835 O O   . HOH I .   ? 0.4801 0.4312 0.3665 -0.0187 0.0133  -0.0501 442 HOH A O   
3836 O O   . HOH I .   ? 0.4546 0.5611 0.8363 0.2014  0.0273  0.0182  443 HOH A O   
3837 O O   . HOH I .   ? 0.5894 0.6335 0.6208 -0.0414 0.0104  -0.1228 444 HOH A O   
3838 O O   . HOH I .   ? 0.4645 0.7976 0.3433 0.2681  -0.0129 0.0366  445 HOH A O   
3839 O O   . HOH I .   ? 0.5284 0.5369 0.5801 0.1183  0.1068  0.0531  446 HOH A O   
3840 O O   . HOH I .   ? 0.4208 0.7804 0.7395 0.1045  0.1664  0.2289  447 HOH A O   
3841 O O   . HOH I .   ? 0.4478 0.6305 0.4117 0.2226  0.0421  -0.0375 448 HOH A O   
3842 O O   . HOH I .   ? 0.3133 0.4089 0.3303 0.0387  -0.0457 0.0781  449 HOH A O   
3843 O O   . HOH I .   ? 0.6841 0.4247 0.6038 -0.1519 0.0949  -0.1900 450 HOH A O   
3844 O O   . HOH I .   ? 0.4653 0.2401 0.6042 -0.0238 -0.0275 -0.0742 451 HOH A O   
3845 O O   . HOH I .   ? 0.6263 0.2504 0.5095 -0.1582 -0.0328 0.0128  452 HOH A O   
3846 O O   . HOH I .   ? 0.6546 0.3367 0.6935 0.0586  -0.1100 -0.1395 453 HOH A O   
3847 O O   . HOH I .   ? 0.6360 0.3790 0.5966 -0.0561 -0.0396 -0.1900 454 HOH A O   
3848 O O   . HOH I .   ? 0.5569 0.5924 0.3781 0.0918  0.0450  0.0064  455 HOH A O   
3849 O O   . HOH I .   ? 0.5236 0.4596 0.6076 -0.1900 -0.0583 -0.0168 456 HOH A O   
3850 O O   . HOH I .   ? 0.7443 0.6332 0.6443 0.2317  -0.0915 0.1029  457 HOH A O   
3851 O O   . HOH I .   ? 0.5575 0.5954 0.4556 -0.0103 0.0171  -0.1549 458 HOH A O   
3852 O O   . HOH I .   ? 0.5423 0.5752 0.5916 -0.1456 -0.1581 0.1605  459 HOH A O   
3853 O O   . HOH I .   ? 0.4748 0.6010 0.5796 0.1740  0.1095  0.3291  460 HOH A O   
3854 O O   . HOH I .   ? 0.6155 0.5630 0.4957 -0.0130 0.2372  0.1505  461 HOH A O   
3855 O O   . HOH I .   ? 0.6559 0.5144 0.8643 -0.0257 -0.0407 -0.0052 462 HOH A O   
3856 O O   . HOH I .   ? 0.6169 0.4230 0.6735 -0.1342 -0.0592 -0.0923 463 HOH A O   
3857 O O   . HOH I .   ? 0.5177 0.5094 0.6012 0.2339  -0.1035 -0.0217 464 HOH A O   
3858 O O   . HOH I .   ? 0.3033 0.5493 0.5186 0.0794  -0.0669 -0.1438 465 HOH A O   
3859 O O   . HOH I .   ? 0.7784 0.7415 0.5333 -0.1512 0.3093  0.0296  466 HOH A O   
3860 O O   . HOH I .   ? 0.5110 0.3493 0.4423 0.1437  0.0612  0.0370  467 HOH A O   
3861 O O   . HOH I .   ? 0.5130 0.4903 0.6957 0.1195  0.0979  -0.1900 468 HOH A O   
3862 O O   . HOH I .   ? 0.6787 0.4882 0.6523 -0.1720 -0.1488 -0.1900 469 HOH A O   
3863 O O   . HOH I .   ? 0.8406 0.4425 0.4850 0.1678  -0.1078 -0.1026 470 HOH A O   
3864 O O   . HOH I .   ? 0.7628 0.4951 0.3348 0.0548  0.0085  -0.1900 471 HOH A O   
3865 O O   . HOH I .   ? 0.2326 0.4400 0.3374 0.0410  0.0237  0.0245  472 HOH A O   
3866 O O   . HOH I .   ? 0.6974 0.3113 0.4236 -0.0234 -0.1691 0.1341  473 HOH A O   
3867 O O   . HOH I .   ? 0.5835 0.4176 0.7338 -0.0035 0.0276  -0.0314 474 HOH A O   
3868 O O   . HOH I .   ? 0.5077 0.5094 0.3786 -0.1481 0.1221  0.0245  475 HOH A O   
3869 O O   . HOH I .   ? 0.4958 0.3977 0.5477 -0.1032 0.0709  -0.1332 476 HOH A O   
3870 O O   . HOH I .   ? 0.7911 0.3442 0.5260 -0.1789 -0.0141 -0.0495 477 HOH A O   
3871 O O   . HOH I .   ? 0.4735 0.4654 0.6224 -0.1048 0.1910  -0.1819 478 HOH A O   
3872 O O   . HOH I .   ? 0.6334 0.6069 0.5903 0.2703  -0.0127 -0.1484 479 HOH A O   
3873 O O   . HOH I .   ? 0.6985 0.3973 0.7159 -0.0759 -0.1057 -0.1900 480 HOH A O   
3874 O O   . HOH I .   ? 0.6749 0.5934 0.5163 0.1451  0.0071  -0.1427 481 HOH A O   
3875 O O   . HOH I .   ? 0.6075 0.4803 0.3991 0.1291  -0.1632 -0.1900 482 HOH A O   
3876 O O   . HOH I .   ? 0.6891 0.5702 0.5639 0.2514  -0.1531 -0.1852 483 HOH A O   
3877 O O   . HOH I .   ? 0.5246 0.5958 0.4801 -0.0221 0.0791  -0.1900 484 HOH A O   
3878 O O   . HOH I .   ? 0.5238 0.4165 0.6973 -0.1028 -0.1262 -0.1290 485 HOH A O   
3879 O O   . HOH I .   ? 0.8324 0.5210 0.4197 0.1499  0.1784  0.0056  486 HOH A O   
3880 O O   . HOH I .   ? 0.6578 0.3635 0.7290 -0.0017 0.0868  -0.0527 487 HOH A O   
3881 O O   . HOH I .   ? 0.3737 0.5862 0.5259 0.0060  -0.0142 0.0688  488 HOH A O   
3882 O O   . HOH I .   ? 0.6417 0.4480 0.3726 -0.1099 0.1882  -0.0228 489 HOH A O   
3883 O O   . HOH I .   ? 0.6604 0.3561 0.3557 -0.1006 0.0364  -0.0718 490 HOH A O   
3884 O O   . HOH I .   ? 0.6072 0.5649 0.8735 0.0504  0.1535  0.0452  491 HOH A O   
3885 O O   . HOH I .   ? 0.6251 0.4172 0.3925 0.1919  -0.0535 -0.0059 492 HOH A O   
3886 O O   . HOH I .   ? 0.5599 0.3529 0.3592 0.1046  -0.0926 -0.0938 493 HOH A O   
3887 O O   . HOH I .   ? 0.5667 0.4948 0.4050 0.1109  0.0874  0.1760  494 HOH A O   
3888 O O   . HOH I .   ? 0.6184 0.4311 0.4583 -0.0799 0.1635  -0.0883 495 HOH A O   
3889 O O   . HOH I .   ? 0.6932 0.6083 0.5198 0.1097  0.1028  0.2424  496 HOH A O   
3890 O O   . HOH I .   ? 0.8872 0.4681 0.5686 -0.1815 0.0006  0.0211  497 HOH A O   
3891 O O   . HOH I .   ? 0.7332 0.7585 0.5117 0.1484  0.1635  0.0607  498 HOH A O   
3892 O O   . HOH J .   ? 0.4097 0.5151 0.5694 0.2296  -0.0550 0.0862  301 HOH B O   
3893 O O   . HOH J .   ? 0.3222 0.8180 0.4377 0.0102  0.1644  -0.0250 302 HOH B O   
3894 O O   . HOH J .   ? 0.3721 0.4667 0.6307 -0.0390 0.0216  0.0163  303 HOH B O   
3895 O O   . HOH J .   ? 0.7088 0.7382 0.4183 0.3555  -0.1471 -0.0777 304 HOH B O   
3896 O O   . HOH J .   ? 0.2939 0.3892 0.3598 0.0132  0.0069  0.0048  305 HOH B O   
3897 O O   . HOH J .   ? 0.3219 0.5998 0.2398 0.0576  -0.0199 0.0843  306 HOH B O   
3898 O O   . HOH J .   ? 0.3022 0.6948 0.2036 -0.1730 -0.0061 0.0437  307 HOH B O   
3899 O O   . HOH J .   ? 0.4521 0.6140 0.7928 0.1155  -0.0319 0.1827  308 HOH B O   
3900 O O   . HOH J .   ? 0.3067 0.6061 0.5296 -0.0366 -0.1103 -0.0518 309 HOH B O   
3901 O O   . HOH J .   ? 0.5024 0.3762 0.6174 -0.1256 -0.1489 0.0300  310 HOH B O   
3902 O O   . HOH J .   ? 0.7950 0.4787 0.4003 -0.0360 0.0963  -0.0580 311 HOH B O   
3903 O O   . HOH J .   ? 0.5051 0.4345 0.6523 0.2289  -0.1686 -0.1553 312 HOH B O   
3904 O O   . HOH J .   ? 0.3027 0.1969 0.3302 0.0061  0.0009  -0.0174 313 HOH B O   
3905 O O   . HOH J .   ? 0.3155 0.2843 0.4065 0.0122  0.1461  -0.0618 314 HOH B O   
3906 O O   . HOH J .   ? 0.3446 0.8198 0.2746 0.0500  -0.0694 0.0066  315 HOH B O   
3907 O O   . HOH J .   ? 0.2906 0.4246 0.2614 -0.1340 -0.0658 0.1286  316 HOH B O   
3908 O O   . HOH J .   ? 0.4819 0.5436 0.2990 0.0829  0.0399  -0.0676 317 HOH B O   
3909 O O   . HOH J .   ? 0.6254 0.3668 0.3035 0.1749  0.2003  0.0510  318 HOH B O   
3910 O O   . HOH J .   ? 0.5477 0.2704 0.2642 0.0444  0.0395  0.0635  319 HOH B O   
3911 O O   . HOH J .   ? 0.3844 0.4649 0.2505 -0.1563 0.0127  -0.0061 320 HOH B O   
3912 O O   . HOH J .   ? 0.4637 0.3559 0.5574 -0.1233 0.1011  0.0451  321 HOH B O   
3913 O O   . HOH J .   ? 0.3161 0.3227 0.5211 -0.0453 0.0725  -0.1900 322 HOH B O   
3914 O O   . HOH J .   ? 0.2482 0.6111 0.2577 -0.1401 0.0511  -0.1768 323 HOH B O   
3915 O O   . HOH J .   ? 0.3527 0.5281 0.3662 -0.0718 -0.0251 -0.0098 324 HOH B O   
3916 O O   . HOH J .   ? 0.1812 0.1354 0.2115 0.0065  -0.0105 -0.0465 325 HOH B O   
3917 O O   . HOH J .   ? 0.5561 0.5482 0.4547 0.1800  -0.0186 0.0139  326 HOH B O   
3918 O O   . HOH J .   ? 0.2648 0.5791 0.5667 0.0781  0.1325  0.2176  327 HOH B O   
3919 O O   . HOH J .   ? 0.7848 0.4857 0.7098 0.1592  -0.0685 0.0271  328 HOH B O   
3920 O O   . HOH J .   ? 0.1349 0.1748 0.2360 0.0070  -0.0219 -0.0235 329 HOH B O   
3921 O O   . HOH J .   ? 0.2478 0.2082 0.3454 -0.0405 0.0100  0.0141  330 HOH B O   
3922 O O   . HOH J .   ? 0.5934 0.8167 0.5054 0.3485  0.0899  -0.0968 331 HOH B O   
3923 O O   . HOH J .   ? 0.2437 0.3945 0.2599 0.0883  0.0101  0.0403  332 HOH B O   
3924 O O   . HOH J .   ? 0.5506 0.5031 0.3058 -0.1812 0.1264  -0.1773 333 HOH B O   
3925 O O   . HOH J .   ? 0.3444 0.4218 0.4194 0.0814  0.0126  -0.0885 334 HOH B O   
3926 O O   . HOH J .   ? 0.3064 0.2584 0.2111 0.0355  0.0206  -0.0245 335 HOH B O   
3927 O O   . HOH J .   ? 0.3018 0.3358 0.3531 0.0327  0.0164  -0.0786 336 HOH B O   
3928 O O   . HOH J .   ? 0.1924 0.2632 0.2368 0.1085  -0.0019 -0.0104 337 HOH B O   
3929 O O   . HOH J .   ? 0.3123 0.2221 0.2078 -0.0305 0.0214  -0.0655 338 HOH B O   
3930 O O   . HOH J .   ? 0.1682 0.2521 0.2016 0.0046  -0.0102 -0.0450 339 HOH B O   
3931 O O   . HOH J .   ? 0.3546 0.7027 0.5752 0.0767  0.1692  -0.1575 340 HOH B O   
3932 O O   . HOH J .   ? 0.3184 0.5743 0.3362 0.1500  0.0339  -0.0592 341 HOH B O   
3933 O O   . HOH J .   ? 0.4869 0.6095 0.5791 -0.1900 0.0836  -0.1900 342 HOH B O   
3934 O O   . HOH J .   ? 0.6563 0.7364 0.7453 0.0894  0.3806  -0.1190 343 HOH B O   
3935 O O   . HOH J .   ? 0.3489 0.6447 0.4971 0.0773  0.0053  0.2258  344 HOH B O   
3936 O O   . HOH J .   ? 0.2213 0.2010 0.2131 0.0283  -0.0112 -0.0120 345 HOH B O   
3937 O O   . HOH J .   ? 0.4679 0.7737 0.8377 0.1686  -0.1793 0.0946  346 HOH B O   
3938 O O   . HOH J .   ? 0.3308 0.8187 0.4623 0.0961  0.1332  -0.0454 347 HOH B O   
3939 O O   . HOH J .   ? 0.7098 0.6169 0.4377 -0.0820 -0.0545 -0.0918 348 HOH B O   
3940 O O   . HOH J .   ? 0.2096 0.4652 0.2422 -0.0873 0.0528  -0.0998 349 HOH B O   
3941 O O   . HOH J .   ? 0.1378 0.4926 0.3338 0.0324  -0.0083 -0.0947 350 HOH B O   
3942 O O   . HOH J .   ? 0.2927 0.5353 0.1987 -0.0287 0.0341  0.0293  351 HOH B O   
3943 O O   . HOH J .   ? 0.4152 0.3134 0.6452 -0.1183 0.2672  -0.1889 352 HOH B O   
3944 O O   . HOH J .   ? 0.4497 0.4703 0.3721 -0.0136 0.0804  -0.1116 353 HOH B O   
3945 O O   . HOH J .   ? 0.1682 0.2908 0.2053 -0.0110 -0.0096 -0.0166 354 HOH B O   
3946 O O   . HOH J .   ? 0.4104 0.2882 0.6803 -0.0535 0.2070  -0.1753 355 HOH B O   
3947 O O   . HOH J .   ? 0.3696 0.4475 0.3721 0.0750  0.0637  -0.0642 356 HOH B O   
3948 O O   . HOH J .   ? 0.1558 0.1785 0.4290 0.0041  -0.0403 0.0352  357 HOH B O   
3949 O O   . HOH J .   ? 0.4014 0.2860 0.6093 -0.0409 0.0378  0.1983  358 HOH B O   
3950 O O   . HOH J .   ? 0.3536 0.6140 0.5235 -0.0963 -0.1161 0.0882  359 HOH B O   
3951 O O   . HOH J .   ? 0.6442 0.4776 0.5953 0.1556  -0.0159 -0.0113 360 HOH B O   
3952 O O   . HOH J .   ? 0.3356 0.5843 0.3245 -0.0302 -0.0446 -0.0278 361 HOH B O   
3953 O O   . HOH J .   ? 0.3097 0.4495 0.3577 0.0655  -0.0796 0.0055  362 HOH B O   
3954 O O   . HOH J .   ? 0.2784 0.1796 0.5623 -0.0612 -0.0083 -0.0061 363 HOH B O   
3955 O O   . HOH J .   ? 0.2646 0.2612 0.3285 0.0577  0.0727  0.0130  364 HOH B O   
3956 O O   . HOH J .   ? 0.2542 0.4484 0.4391 -0.0224 -0.0480 0.0820  365 HOH B O   
3957 O O   . HOH J .   ? 0.2119 0.5837 0.3563 0.0605  -0.0175 -0.1900 366 HOH B O   
3958 O O   . HOH J .   ? 0.2452 0.4528 0.3784 -0.0122 -0.0431 -0.0786 367 HOH B O   
3959 O O   . HOH J .   ? 0.3324 0.6247 0.4658 0.1330  0.0739  -0.0569 368 HOH B O   
3960 O O   . HOH J .   ? 0.2012 0.4059 0.2778 -0.0096 0.0097  -0.0542 369 HOH B O   
3961 O O   . HOH J .   ? 0.2051 0.5051 0.3508 -0.0359 0.0089  -0.0809 370 HOH B O   
3962 O O   . HOH J .   ? 0.3266 0.2230 0.3023 0.0188  0.0517  -0.0869 371 HOH B O   
3963 O O   . HOH J .   ? 0.4243 0.4761 0.8077 -0.0229 0.1844  0.0304  372 HOH B O   
3964 O O   . HOH J .   ? 0.2020 0.3282 0.5615 0.0694  0.0097  -0.1236 373 HOH B O   
3965 O O   . HOH J .   ? 0.2744 0.3034 0.2104 0.0595  -0.0061 -0.0122 374 HOH B O   
3966 O O   . HOH J .   ? 0.2605 0.2966 0.2537 -0.0076 0.0723  -0.0476 375 HOH B O   
3967 O O   . HOH J .   ? 0.2340 0.3988 0.3992 0.0277  0.1335  -0.0652 376 HOH B O   
3968 O O   . HOH J .   ? 0.6177 0.4242 0.5768 -0.1900 -0.0567 0.0382  377 HOH B O   
3969 O O   . HOH J .   ? 0.2735 0.4443 0.6051 0.0961  -0.0213 0.0015  378 HOH B O   
3970 O O   . HOH J .   ? 0.2622 0.4859 0.3422 -0.0475 0.0291  0.0011  379 HOH B O   
3971 O O   . HOH J .   ? 0.2783 0.3862 0.3444 -0.0761 -0.0663 0.1074  380 HOH B O   
3972 O O   . HOH J .   ? 0.3840 0.3982 0.8173 -0.0379 0.2149  -0.1900 381 HOH B O   
3973 O O   . HOH J .   ? 0.3802 0.5328 0.2327 -0.0917 0.0107  -0.0733 382 HOH B O   
3974 O O   . HOH J .   ? 0.4469 0.5549 0.5746 0.1164  -0.0377 0.0672  383 HOH B O   
3975 O O   . HOH J .   ? 0.4429 0.3530 0.2642 0.0827  -0.0632 -0.1035 384 HOH B O   
3976 O O   . HOH J .   ? 0.2295 0.4209 0.3185 0.0328  0.0127  -0.0925 385 HOH B O   
3977 O O   . HOH J .   ? 0.3640 0.1843 0.2756 0.1284  0.0385  0.0508  386 HOH B O   
3978 O O   . HOH J .   ? 0.3611 0.4656 0.4127 -0.0701 0.0749  -0.0220 387 HOH B O   
3979 O O   . HOH J .   ? 0.4700 0.5454 0.7122 0.1023  0.2405  -0.1693 388 HOH B O   
3980 O O   . HOH J .   ? 0.5440 0.4487 0.6612 -0.0244 -0.1189 -0.0168 389 HOH B O   
3981 O O   . HOH J .   ? 0.6215 0.7286 0.9185 0.2949  0.0360  0.0941  390 HOH B O   
3982 O O   . HOH J .   ? 0.3418 0.5833 0.3678 -0.1410 0.1287  -0.1600 391 HOH B O   
3983 O O   . HOH J .   ? 0.4207 0.8317 0.4016 0.2989  0.0993  0.1769  392 HOH B O   
3984 O O   . HOH J .   ? 0.6505 0.5425 0.3227 -0.1724 0.1651  -0.1677 393 HOH B O   
3985 O O   . HOH J .   ? 0.3439 0.3294 0.3142 0.0022  0.0230  -0.0786 394 HOH B O   
3986 O O   . HOH J .   ? 0.5531 0.3404 0.5636 0.2112  -0.0439 -0.1019 395 HOH B O   
3987 O O   . HOH J .   ? 0.3234 0.3489 0.3196 0.0379  0.0456  0.0189  396 HOH B O   
3988 O O   . HOH J .   ? 0.3782 0.6501 0.3700 -0.0966 -0.1212 0.2394  397 HOH B O   
3989 O O   . HOH J .   ? 0.5809 0.5752 0.2895 0.2471  0.0473  -0.0120 398 HOH B O   
3990 O O   . HOH J .   ? 0.4710 0.5773 0.7562 -0.1900 -0.0832 -0.0456 399 HOH B O   
3991 O O   . HOH J .   ? 0.3262 0.4698 0.5123 -0.1348 -0.0143 0.1927  400 HOH B O   
3992 O O   . HOH J .   ? 0.4135 0.5002 0.3837 0.1491  -0.0961 -0.1213 401 HOH B O   
3993 O O   . HOH J .   ? 0.2123 0.4294 0.3936 -0.0238 -0.0375 -0.0690 402 HOH B O   
3994 O O   . HOH J .   ? 0.5212 0.8097 0.3250 0.1693  -0.0849 -0.0120 403 HOH B O   
3995 O O   . HOH J .   ? 0.2806 0.3046 0.4059 0.0326  0.0579  -0.0935 404 HOH B O   
3996 O O   . HOH J .   ? 0.3638 0.3093 0.4841 -0.0277 0.0245  -0.1268 405 HOH B O   
3997 O O   . HOH J .   ? 0.2988 0.3841 0.3108 0.0036  0.0174  -0.0207 406 HOH B O   
3998 O O   . HOH J .   ? 0.6403 0.7792 0.4001 -0.0327 -0.1023 -0.1517 407 HOH B O   
3999 O O   . HOH J .   ? 0.3488 0.5388 0.5315 -0.0973 0.2112  -0.1900 408 HOH B O   
4000 O O   . HOH J .   ? 0.4444 0.8091 0.3215 -0.1608 0.0714  -0.0834 409 HOH B O   
4001 O O   . HOH J .   ? 0.6771 0.5571 0.2686 -0.0750 0.1461  -0.0039 410 HOH B O   
4002 O O   . HOH J .   ? 0.5511 0.5385 0.8288 -0.1900 -0.0403 -0.1584 411 HOH B O   
4003 O O   . HOH J .   ? 0.8079 0.7731 0.4805 0.1707  -0.0251 0.2044  412 HOH B O   
4004 O O   . HOH J .   ? 0.3163 0.3490 0.4555 0.0832  0.0040  0.0938  413 HOH B O   
4005 O O   . HOH J .   ? 0.7023 0.6247 0.4238 -0.0723 -0.1900 -0.0872 414 HOH B O   
4006 O O   . HOH J .   ? 0.3847 0.7645 0.2653 0.2118  -0.0532 -0.0768 415 HOH B O   
4007 O O   . HOH J .   ? 0.4252 0.5477 0.8779 -0.0498 -0.1900 0.1264  416 HOH B O   
4008 O O   . HOH J .   ? 0.5051 0.5345 0.3857 0.0927  -0.0711 0.1094  417 HOH B O   
4009 O O   . HOH J .   ? 0.3789 0.5546 0.7170 0.0294  0.1319  0.0089  418 HOH B O   
4010 O O   . HOH J .   ? 0.5437 0.4400 0.2926 -0.1367 -0.0251 -0.0778 419 HOH B O   
4011 O O   . HOH J .   ? 0.4345 0.5731 0.4364 -0.1559 0.1070  -0.1872 420 HOH B O   
4012 O O   . HOH J .   ? 0.6075 0.5934 0.5951 -0.1195 0.1816  -0.1898 421 HOH B O   
4013 O O   . HOH J .   ? 0.5505 0.4742 0.5580 -0.1494 0.0528  0.1534  422 HOH B O   
4014 O O   . HOH J .   ? 0.2733 0.5895 0.5082 0.0278  0.0005  0.0864  423 HOH B O   
4015 O O   . HOH J .   ? 0.8139 0.4242 0.6466 -0.0820 0.1852  0.2237  424 HOH B O   
4016 O O   . HOH J .   ? 0.8596 0.4731 0.5432 0.2917  -0.1349 -0.0101 425 HOH B O   
4017 O O   . HOH J .   ? 0.6693 0.3665 0.3144 -0.0293 0.0634  -0.0464 426 HOH B O   
4018 O O   . HOH J .   ? 0.4922 0.6761 0.5034 -0.1424 -0.0945 0.0673  427 HOH B O   
4019 O O   . HOH J .   ? 0.8289 0.7744 0.5043 0.2636  0.0516  -0.0493 428 HOH B O   
4020 O O   . HOH J .   ? 0.8325 0.6273 0.4367 -0.1689 0.0498  -0.0339 429 HOH B O   
4021 O O   . HOH J .   ? 0.3505 0.6632 0.3749 -0.0270 0.1465  -0.0231 430 HOH B O   
4022 O O   . HOH J .   ? 0.5102 0.6022 0.3393 0.2991  -0.0216 -0.0716 431 HOH B O   
4023 O O   . HOH J .   ? 0.5325 0.3726 0.4484 -0.0015 0.0494  -0.0849 432 HOH B O   
4024 O O   . HOH J .   ? 0.3942 0.5066 0.6316 0.0161  -0.1477 0.0121  433 HOH B O   
4025 O O   . HOH J .   ? 0.3277 0.3484 0.5477 -0.0909 0.0706  -0.1543 434 HOH B O   
4026 O O   . HOH J .   ? 0.3098 0.3575 0.3619 0.0320  -0.0263 -0.0508 435 HOH B O   
4027 O O   . HOH J .   ? 0.4422 0.4725 0.4548 -0.0048 0.0122  -0.1236 436 HOH B O   
4028 O O   . HOH J .   ? 0.4819 0.5368 0.4775 -0.1026 -0.1135 0.0509  437 HOH B O   
4029 O O   . HOH J .   ? 0.3503 0.4983 0.4882 0.1551  0.1606  0.1554  438 HOH B O   
4030 O O   . HOH J .   ? 0.4841 0.8576 0.4355 -0.0006 -0.1900 -0.1375 439 HOH B O   
4031 O O   . HOH J .   ? 0.5220 0.3066 0.3065 -0.1577 -0.0620 -0.0391 440 HOH B O   
4032 O O   . HOH J .   ? 0.3721 0.7763 0.5490 0.1460  0.0602  -0.1900 441 HOH B O   
4033 O O   . HOH J .   ? 0.8371 0.6038 0.7219 -0.0971 0.1329  -0.1795 442 HOH B O   
4034 O O   . HOH J .   ? 0.6373 0.6411 0.8335 0.2769  0.1123  0.1618  443 HOH B O   
4035 O O   . HOH J .   ? 0.7587 0.5424 0.5348 -0.1900 0.1964  -0.1900 444 HOH B O   
4036 O O   . HOH J .   ? 0.4557 0.3781 0.3775 -0.0976 -0.1014 -0.0087 445 HOH B O   
4037 O O   . HOH K .   ? 0.5501 0.8066 0.6038 -0.1394 0.3140  -0.1322 301 HOH C O   
4038 O O   . HOH K .   ? 0.6534 0.4299 0.4127 0.0278  0.0499  -0.0808 302 HOH C O   
4039 O O   . HOH K .   ? 0.6631 0.6701 0.8640 0.0207  0.1814  -0.0592 303 HOH C O   
4040 O O   . HOH K .   ? 0.5031 0.3528 0.7347 0.0884  -0.1900 0.0082  304 HOH C O   
4041 O O   . HOH K .   ? 0.6832 0.6142 0.5874 0.1179  -0.1900 0.0456  305 HOH C O   
4042 O O   . HOH K .   ? 0.4582 0.5841 0.3786 -0.1689 0.0507  -0.1075 306 HOH C O   
4043 O O   . HOH K .   ? 0.7944 0.5919 0.6375 -0.0931 -0.1865 0.0138  307 HOH C O   
4044 O O   . HOH K .   ? 0.3118 0.3903 0.3910 -0.1212 -0.0290 0.0479  308 HOH C O   
4045 O O   . HOH K .   ? 0.4338 0.3141 0.6533 0.1090  0.0821  0.2056  309 HOH C O   
4046 O O   . HOH K .   ? 0.5195 0.4403 0.6722 -0.0196 -0.0729 0.1654  310 HOH C O   
4047 O O   . HOH K .   ? 0.3718 0.2920 0.5333 -0.0466 0.0420  0.1021  311 HOH C O   
4048 O O   . HOH K .   ? 0.4270 0.4214 0.4646 0.1398  0.0621  -0.1237 312 HOH C O   
4049 O O   . HOH K .   ? 0.2161 0.1429 0.1835 0.0028  0.0130  -0.0276 313 HOH C O   
4050 O O   . HOH K .   ? 0.5683 0.8991 0.6128 0.1542  0.1177  0.0078  314 HOH C O   
4051 O O   . HOH K .   ? 0.5486 0.5330 0.5143 0.1019  -0.1897 -0.0219 315 HOH C O   
4052 O O   . HOH K .   ? 0.6195 0.2826 0.3660 0.0641  0.0999  -0.0714 316 HOH C O   
4053 O O   . HOH K .   ? 0.3894 0.4444 0.6371 -0.0220 0.1913  -0.1888 317 HOH C O   
4054 O O   . HOH K .   ? 0.4580 0.6366 0.5620 -0.1384 -0.0445 -0.0368 318 HOH C O   
4055 O O   . HOH K .   ? 0.3481 0.6340 0.4343 0.1596  0.0746  0.0668  319 HOH C O   
4056 O O   . HOH K .   ? 0.3063 0.3309 0.3154 0.0735  -0.0754 0.0488  320 HOH C O   
4057 O O   . HOH K .   ? 0.2075 0.3865 0.2702 -0.0976 0.0406  0.0053  321 HOH C O   
4058 O O   . HOH K .   ? 0.4188 0.3974 0.2358 -0.0894 0.0252  -0.0135 322 HOH C O   
4059 O O   . HOH K .   ? 0.2110 0.3163 0.2274 0.0124  -0.0205 0.0158  323 HOH C O   
4060 O O   . HOH K .   ? 0.5044 0.3586 0.4382 0.0293  -0.0813 -0.0697 324 HOH C O   
4061 O O   . HOH K .   ? 0.1372 0.2121 0.1765 0.0053  0.0093  0.0113  325 HOH C O   
4062 O O   . HOH K .   ? 0.3359 0.3333 0.4991 -0.0736 0.0435  -0.1541 326 HOH C O   
4063 O O   . HOH K .   ? 0.6369 0.6507 0.4891 0.2842  0.2503  0.2318  327 HOH C O   
4064 O O   . HOH K .   ? 0.3346 0.3964 0.3131 -0.0589 -0.0310 0.0379  328 HOH C O   
4065 O O   . HOH K .   ? 0.4807 0.6104 0.5743 0.0075  0.1772  0.1854  329 HOH C O   
4066 O O   . HOH K .   ? 0.2800 0.4631 0.2493 -0.1182 0.0483  -0.0183 330 HOH C O   
4067 O O   . HOH K .   ? 0.2534 0.2723 0.5040 0.0653  -0.0317 -0.0669 331 HOH C O   
4068 O O   . HOH K .   ? 0.2300 0.2448 0.5009 -0.0381 0.1310  -0.1567 332 HOH C O   
4069 O O   . HOH K .   ? 0.1616 0.2833 0.2198 -0.0134 0.0038  -0.0067 333 HOH C O   
4070 O O   . HOH K .   ? 0.3690 0.2149 0.4112 -0.0403 -0.0387 0.0662  334 HOH C O   
4071 O O   . HOH K .   ? 0.8315 0.5553 0.5599 0.0043  -0.0124 0.2060  335 HOH C O   
4072 O O   . HOH K .   ? 0.4326 0.4357 0.4138 -0.0259 0.0739  -0.1900 336 HOH C O   
4073 O O   . HOH K .   ? 0.4532 0.3521 0.5628 0.1073  0.0007  -0.1027 337 HOH C O   
4074 O O   . HOH K .   ? 0.5934 0.3585 0.4007 -0.0976 0.1505  -0.1659 338 HOH C O   
4075 O O   . HOH K .   ? 0.4806 0.5486 0.6043 -0.0936 0.0227  -0.1454 339 HOH C O   
4076 O O   . HOH K .   ? 0.3599 0.6346 0.6387 0.0033  -0.1455 -0.1504 340 HOH C O   
4077 O O   . HOH K .   ? 0.5896 0.2773 0.5147 -0.0011 -0.0854 0.0288  341 HOH C O   
4078 O O   . HOH K .   ? 0.5617 0.2816 0.2700 -0.0487 -0.0304 -0.0498 342 HOH C O   
4079 O O   . HOH K .   ? 0.2020 0.1819 0.1929 0.0090  0.0100  0.0207  343 HOH C O   
4080 O O   . HOH K .   ? 0.4570 0.2614 0.3737 0.0790  -0.0366 0.0336  344 HOH C O   
4081 O O   . HOH K .   ? 0.3067 0.3930 0.5154 -0.1105 -0.0167 -0.1103 345 HOH C O   
4082 O O   . HOH K .   ? 0.3113 0.6019 0.4674 -0.1564 0.0507  -0.1841 346 HOH C O   
4083 O O   . HOH K .   ? 0.7199 0.4706 0.3798 0.2514  0.1136  0.0744  347 HOH C O   
4084 O O   . HOH K .   ? 0.4840 0.4302 0.5638 -0.0505 -0.1900 -0.0863 348 HOH C O   
4085 O O   . HOH K .   ? 0.3848 0.3633 0.4355 -0.0200 -0.0109 0.0505  349 HOH C O   
4086 O O   . HOH K .   ? 0.5460 0.4770 0.3928 0.0709  0.0900  0.0126  350 HOH C O   
4087 O O   . HOH K .   ? 0.3609 0.7013 0.5578 0.1004  0.0309  -0.0702 351 HOH C O   
4088 O O   . HOH K .   ? 0.4311 0.2367 0.3157 -0.0366 -0.0389 0.0183  352 HOH C O   
4089 O O   . HOH K .   ? 0.3251 0.2814 0.3201 -0.0826 -0.0118 -0.0405 353 HOH C O   
4090 O O   . HOH K .   ? 0.4931 0.5595 1.0949 -0.0832 -0.1400 -0.0686 354 HOH C O   
4091 O O   . HOH K .   ? 0.2403 0.1637 0.2227 0.0582  -0.0237 0.0056  355 HOH C O   
4092 O O   . HOH K .   ? 0.2121 0.1640 0.2385 0.0410  -0.0217 -0.0298 356 HOH C O   
4093 O O   . HOH K .   ? 0.4002 0.4385 0.2434 0.0200  -0.0885 -0.0829 357 HOH C O   
4094 O O   . HOH K .   ? 0.3626 0.4206 0.6464 -0.0628 -0.1900 0.0836  358 HOH C O   
4095 O O   . HOH K .   ? 0.1868 0.3645 0.2308 -0.0003 0.0264  -0.0467 359 HOH C O   
4096 O O   . HOH K .   ? 0.2495 0.4345 0.2048 -0.0637 0.0175  -0.0535 360 HOH C O   
4097 O O   . HOH K .   ? 0.2754 0.2549 0.2448 0.0464  0.0320  -0.0203 361 HOH C O   
4098 O O   . HOH K .   ? 0.2694 0.5867 0.5611 0.0756  0.0576  -0.0890 362 HOH C O   
4099 O O   . HOH K .   ? 0.1828 0.4800 0.2976 0.0858  0.0175  -0.0566 363 HOH C O   
4100 O O   . HOH K .   ? 0.3274 0.2668 0.2719 0.0013  0.0827  0.0258  364 HOH C O   
4101 O O   . HOH K .   ? 0.2387 0.3186 0.2528 -0.0121 0.0210  -0.0461 365 HOH C O   
4102 O O   . HOH K .   ? 0.3473 0.5779 0.4369 0.1023  0.0898  0.2333  366 HOH C O   
4103 O O   . HOH K .   ? 0.2230 0.3582 0.3988 -0.0387 0.0783  0.0158  367 HOH C O   
4104 O O   . HOH K .   ? 0.3186 0.4917 0.6649 0.1545  -0.1267 -0.0982 368 HOH C O   
4105 O O   . HOH K .   ? 0.3989 0.2425 0.2949 -0.0952 0.0317  -0.0161 369 HOH C O   
4106 O O   . HOH K .   ? 0.3142 0.1628 0.2518 -0.0416 -0.0564 -0.0016 370 HOH C O   
4107 O O   A HOH K .   ? 0.2023 0.3603 0.4245 0.0369  0.0495  -0.1391 371 HOH C O   
4108 O O   . HOH K .   ? 0.5493 0.4458 0.2947 0.2080  -0.0330 -0.0545 372 HOH C O   
4109 O O   . HOH K .   ? 0.4686 0.5941 0.2952 0.0389  0.0304  -0.0316 373 HOH C O   
4110 O O   . HOH K .   ? 0.7062 0.5235 0.5195 -0.0696 0.1341  0.2743  374 HOH C O   
4111 O O   . HOH K .   ? 0.3937 0.5785 0.3399 -0.1270 -0.0195 -0.1410 375 HOH C O   
4112 O O   . HOH K .   ? 0.4130 0.5259 0.5737 -0.0747 -0.1900 0.1591  376 HOH C O   
4113 O O   . HOH K .   ? 0.3528 0.4171 0.4466 -0.0564 -0.1430 0.0142  377 HOH C O   
4114 O O   . HOH K .   ? 0.5626 0.7479 0.4046 -0.0378 0.2647  0.0783  378 HOH C O   
4115 O O   . HOH K .   ? 0.4645 0.3651 0.3671 -0.1900 0.0460  0.0433  379 HOH C O   
4116 O O   . HOH K .   ? 0.6794 0.3811 0.4940 -0.1900 -0.1900 0.0601  380 HOH C O   
4117 O O   . HOH K .   ? 0.3578 0.2523 0.2291 -0.0507 0.0379  -0.0158 381 HOH C O   
4118 O O   . HOH K .   ? 0.3741 0.3794 0.3398 -0.0444 0.0134  -0.0723 382 HOH C O   
4119 O O   . HOH K .   ? 0.3400 0.5386 0.4422 0.0159  0.0385  0.1678  383 HOH C O   
4120 O O   . HOH K .   ? 0.3083 0.2723 0.2662 -0.0297 -0.0713 0.0865  384 HOH C O   
4121 O O   . HOH K .   ? 0.5541 0.3575 0.6267 -0.1046 0.0016  -0.1900 385 HOH C O   
4122 O O   . HOH K .   ? 0.3184 0.7012 0.5175 0.0165  -0.0395 -0.0626 386 HOH C O   
4123 O O   . HOH K .   ? 0.4052 0.7465 0.3789 0.0935  -0.1406 0.0068  387 HOH C O   
4124 O O   . HOH K .   ? 0.2695 0.4463 0.3554 -0.0363 -0.1058 0.0585  388 HOH C O   
4125 O O   . HOH K .   ? 0.3094 0.4123 0.4412 -0.0468 -0.0170 -0.1061 389 HOH C O   
4126 O O   . HOH K .   ? 0.3089 0.5066 0.3646 -0.1329 0.0949  -0.0425 390 HOH C O   
4127 O O   . HOH K .   ? 0.6550 0.7319 0.5633 0.1778  -0.1666 0.2634  391 HOH C O   
4128 O O   . HOH K .   ? 0.5501 0.4952 0.7799 0.1117  0.3650  0.1831  392 HOH C O   
4129 O O   . HOH K .   ? 0.4503 0.2689 0.5364 0.0096  -0.1882 -0.0400 393 HOH C O   
4130 O O   . HOH K .   ? 0.4859 0.3328 0.6107 -0.0265 -0.0263 0.0511  394 HOH C O   
4131 O O   . HOH K .   ? 0.5188 0.2380 0.3762 0.0205  -0.0661 -0.0642 395 HOH C O   
4132 O O   . HOH K .   ? 0.6277 0.4172 0.4891 -0.1900 -0.0297 0.1765  396 HOH C O   
4133 O O   . HOH K .   ? 0.5290 0.5502 0.7391 -0.1900 0.1478  -0.0818 397 HOH C O   
4134 O O   . HOH K .   ? 0.3019 0.5301 0.4333 -0.0671 -0.0218 -0.1900 398 HOH C O   
4135 O O   . HOH K .   ? 0.2566 0.5596 0.4448 0.0165  0.0409  0.0276  399 HOH C O   
4136 O O   . HOH K .   ? 0.3727 0.9141 0.3966 0.1085  -0.0876 0.0335  400 HOH C O   
4137 O O   . HOH K .   ? 0.4935 0.4901 0.5762 0.0219  -0.1900 0.1332  401 HOH C O   
4138 O O   . HOH K .   ? 0.3727 0.2742 0.2736 -0.0189 0.0287  0.0339  402 HOH C O   
4139 O O   . HOH K .   ? 0.5167 0.6715 0.3478 0.3426  0.0202  -0.0181 403 HOH C O   
4140 O O   . HOH K .   ? 0.4397 0.3315 0.5146 -0.0320 0.0590  -0.1682 404 HOH C O   
4141 O O   . HOH K .   ? 0.4588 0.4806 0.6872 -0.1260 -0.1900 0.1320  405 HOH C O   
4142 O O   . HOH K .   ? 0.4743 0.7625 0.3657 -0.1660 0.0890  -0.0955 406 HOH C O   
4143 O O   . HOH K .   ? 0.6015 0.6493 0.5718 -0.0962 -0.1900 -0.0031 407 HOH C O   
4144 O O   . HOH K .   ? 0.6542 0.6727 0.3702 -0.1851 -0.0338 0.2287  408 HOH C O   
4145 O O   . HOH K .   ? 0.6541 0.4145 0.7023 0.0718  -0.1900 0.1463  409 HOH C O   
4146 O O   . HOH K .   ? 0.4382 0.7212 0.6090 0.1543  -0.1723 -0.0263 410 HOH C O   
4147 O O   . HOH K .   ? 0.5917 0.5150 0.6986 0.0112  -0.1809 0.1857  411 HOH C O   
4148 O O   . HOH K .   ? 0.8154 0.4004 0.6130 -0.1900 0.0485  -0.0092 412 HOH C O   
4149 O O   . HOH K .   ? 0.3961 0.6413 0.5936 0.2322  -0.0521 -0.0848 413 HOH C O   
4150 O O   . HOH K .   ? 0.4109 0.6024 0.3547 -0.0179 -0.1230 -0.0342 414 HOH C O   
4151 O O   . HOH K .   ? 0.6990 0.5518 0.4438 -0.1549 0.0249  0.0039  415 HOH C O   
4152 O O   . HOH K .   ? 0.2701 0.3124 0.3662 0.1141  0.0224  0.0587  416 HOH C O   
4153 O O   . HOH K .   ? 0.4698 0.6967 0.7851 -0.0046 0.0655  -0.0055 417 HOH C O   
4154 O O   . HOH K .   ? 0.5182 0.6567 0.5987 0.0545  -0.1719 -0.1900 418 HOH C O   
4155 O O   . HOH K .   ? 0.7089 0.6552 0.7380 0.0763  0.0261  0.2218  419 HOH C O   
4156 O O   . HOH K .   ? 0.6189 0.4116 0.3698 -0.0116 0.0841  -0.0896 420 HOH C O   
4157 O O   . HOH K .   ? 0.4568 0.7807 0.4530 0.0630  -0.1165 -0.1433 421 HOH C O   
4158 O O   . HOH K .   ? 0.5930 0.4957 0.7288 0.0958  0.2199  0.0090  422 HOH C O   
4159 O O   . HOH K .   ? 0.6344 0.9618 0.7921 0.1503  0.0616  0.1760  423 HOH C O   
4160 O O   . HOH K .   ? 0.7071 0.5494 0.4414 0.0489  0.1352  -0.0119 424 HOH C O   
4161 O O   . HOH K .   ? 0.4625 0.3918 0.3235 0.0158  -0.0289 -0.0282 425 HOH C O   
4162 O O   . HOH K .   ? 0.3110 0.3665 0.4270 0.0906  0.1172  0.0309  426 HOH C O   
4163 O O   . HOH K .   ? 0.4893 0.2944 0.6790 -0.0526 0.1092  0.0056  427 HOH C O   
4164 O O   . HOH K .   ? 0.3730 0.3339 0.4645 0.0113  -0.0443 0.0446  428 HOH C O   
4165 O O   . HOH K .   ? 0.6143 0.4661 0.5948 0.1660  0.2536  0.0803  429 HOH C O   
4166 O O   . HOH K .   ? 0.4914 0.5986 0.6477 0.0717  0.1033  -0.1633 430 HOH C O   
4167 O O   . HOH K .   ? 0.2561 0.2481 0.2976 0.0061  -0.0149 -0.0494 431 HOH C O   
4168 O O   . HOH K .   ? 0.4740 0.3377 0.6624 0.0437  -0.1900 -0.0110 432 HOH C O   
4169 O O   . HOH K .   ? 0.6271 0.3850 0.6449 0.1505  0.0403  0.2366  433 HOH C O   
4170 O O   . HOH K .   ? 0.4569 0.3548 0.8937 -0.1265 -0.1625 0.0279  434 HOH C O   
4171 O O   . HOH K .   ? 0.5237 0.6310 0.9840 -0.1192 -0.0720 0.2451  435 HOH C O   
4172 O O   . HOH K .   ? 0.4303 0.5756 0.6998 0.1887  -0.0905 -0.1861 436 HOH C O   
4173 O O   . HOH K .   ? 0.3229 0.6050 0.3321 -0.0787 -0.0215 -0.0082 437 HOH C O   
4174 O O   . HOH K .   ? 0.7039 0.4223 0.2651 -0.1167 0.0853  -0.0577 438 HOH C O   
4175 O O   . HOH K .   ? 0.5034 0.6415 0.6756 0.2663  -0.0016 0.2318  439 HOH C O   
4176 O O   . HOH K .   ? 0.6255 0.2450 0.5258 0.0009  0.0928  -0.1115 440 HOH C O   
4177 O O   . HOH K .   ? 0.6888 0.5574 0.6957 -0.0628 0.0143  0.3393  441 HOH C O   
4178 O O   . HOH K .   ? 0.6211 0.5629 0.8026 -0.0407 0.0080  -0.0836 442 HOH C O   
4179 O O   . HOH K .   ? 0.5200 0.4615 0.7442 -0.0054 0.1727  -0.1063 443 HOH C O   
4180 O O   . HOH K .   ? 0.6057 0.3834 0.7101 0.1591  -0.1086 -0.1376 444 HOH C O   
4181 O O   . HOH K .   ? 0.6417 0.5015 0.6037 0.0954  -0.1398 0.0290  445 HOH C O   
4182 O O   . HOH K .   ? 0.7289 0.5251 0.6432 -0.1900 0.0552  -0.0738 446 HOH C O   
4183 O O   . HOH K .   ? 0.7034 0.3674 0.6577 -0.1900 0.1237  0.0922  447 HOH C O   
4184 O O   . HOH K .   ? 0.5621 0.5180 0.7191 -0.1213 0.1885  -0.1369 448 HOH C O   
4185 O O   . HOH K .   ? 0.6573 0.4562 0.6083 -0.0856 0.3060  -0.0699 449 HOH C O   
4186 O O   . HOH K .   ? 0.3987 0.7155 0.4593 0.1450  -0.0773 -0.1231 450 HOH C O   
4187 O O   . HOH K .   ? 0.5479 0.6415 0.4656 0.1941  0.0766  -0.0418 451 HOH C O   
4188 O O   . HOH K .   ? 0.6819 0.4732 0.6536 -0.0670 -0.0470 0.1173  452 HOH C O   
4189 O O   . HOH K .   ? 0.6514 0.4373 0.4481 -0.0041 0.0947  0.0529  453 HOH C O   
4190 O O   . HOH K .   ? 0.4622 0.4433 0.4180 -0.0426 -0.0743 -0.1464 454 HOH C O   
4191 O O   . HOH K .   ? 0.2616 0.3514 0.3561 -0.0478 0.0168  -0.0550 455 HOH C O   
4192 O O   . HOH K .   ? 0.3568 0.5637 0.3354 0.0905  -0.1502 0.0420  456 HOH C O   
4193 O O   . HOH K .   ? 0.5849 0.4492 0.8372 -0.1697 0.0557  0.0853  457 HOH C O   
4194 O O   . HOH K .   ? 0.2803 0.4870 0.5923 0.0082  0.0726  -0.1900 458 HOH C O   
4195 O O   . HOH K .   ? 0.5359 0.4004 0.6624 -0.0764 -0.0410 0.0336  459 HOH C O   
4196 O O   . HOH K .   ? 0.7888 0.5200 0.5673 0.0319  0.0831  -0.0185 460 HOH C O   
4197 O O   . HOH K .   ? 0.4621 0.3806 0.4739 -0.1900 0.1157  -0.0368 461 HOH C O   
4198 O O   . HOH K .   ? 0.6855 0.4011 0.5657 -0.0177 -0.1380 -0.1435 462 HOH C O   
4199 O O   . HOH K .   ? 0.4769 0.3013 0.4943 -0.0950 0.0130  -0.0623 463 HOH C O   
4200 O O   . HOH K .   ? 0.4028 0.4639 0.7853 0.1099  -0.0599 -0.1900 464 HOH C O   
4201 O O   . HOH K .   ? 0.5002 0.8985 0.5518 -0.0504 -0.1310 0.2548  465 HOH C O   
4202 O O   . HOH K .   ? 0.7195 0.3487 0.5515 -0.0261 0.0416  0.1453  466 HOH C O   
4203 O O   . HOH K .   ? 0.5047 0.6187 0.4538 -0.1900 0.0254  -0.0053 467 HOH C O   
4204 O O   . HOH K .   ? 0.5944 0.3963 0.5712 0.0141  -0.1364 0.1661  468 HOH C O   
4205 O O   . HOH K .   ? 0.7603 0.5874 0.5433 -0.1412 -0.0103 0.0277  469 HOH C O   
4206 O O   . HOH K .   ? 0.7576 0.4248 0.6550 -0.0356 0.1563  0.0166  470 HOH C O   
4207 O O   . HOH L .   ? 0.5652 0.6039 0.5584 0.0066  -0.1361 -0.1548 301 HOH D O   
4208 O O   . HOH L .   ? 0.3016 0.4807 0.2645 0.0109  -0.0638 -0.0136 302 HOH D O   
4209 O O   . HOH L .   ? 0.5916 0.7581 0.4962 -0.0107 -0.0288 -0.0915 303 HOH D O   
4210 O O   . HOH L .   ? 0.7192 0.8274 0.7187 0.3845  0.0172  0.2347  304 HOH D O   
4211 O O   . HOH L .   ? 0.4608 0.5852 0.3599 0.0542  -0.1373 -0.0055 305 HOH D O   
4212 O O   . HOH L .   ? 0.5827 0.5488 0.6336 -0.1798 0.1761  -0.1353 306 HOH D O   
4213 O O   . HOH L .   ? 0.4316 0.5003 0.4422 -0.0049 0.0531  -0.0007 307 HOH D O   
4214 O O   . HOH L .   ? 0.6964 0.7323 0.4868 0.0994  0.1400  -0.1215 308 HOH D O   
4215 O O   . HOH L .   ? 0.2593 0.2880 0.1723 -0.0105 0.0301  0.0287  309 HOH D O   
4216 O O   . HOH L .   ? 0.2098 0.2067 0.2221 0.0532  0.0118  -0.0638 310 HOH D O   
4217 O O   . HOH L .   ? 0.4131 0.5955 0.3814 0.1254  0.1283  0.1638  311 HOH D O   
4218 O O   . HOH L .   ? 0.2640 0.6311 0.5776 -0.0552 -0.0501 0.0069  312 HOH D O   
4219 O O   . HOH L .   ? 0.2920 0.6918 0.5113 -0.1407 -0.0759 -0.0786 313 HOH D O   
4220 O O   . HOH L .   ? 0.7907 0.4221 0.3099 -0.0941 -0.1082 -0.0081 314 HOH D O   
4221 O O   . HOH L .   ? 0.1941 0.0994 0.1806 0.0179  -0.0029 -0.0192 315 HOH D O   
4222 O O   . HOH L .   ? 0.5258 0.3711 0.4691 -0.0501 -0.0051 -0.1900 316 HOH D O   
4223 O O   . HOH L .   ? 0.4685 0.6590 0.3224 0.0369  0.1913  -0.0297 317 HOH D O   
4224 O O   . HOH L .   ? 0.2237 0.3488 0.2690 -0.0120 0.0209  -0.0569 318 HOH D O   
4225 O O   . HOH L .   ? 0.2408 0.3900 0.2726 -0.0298 0.0095  -0.0565 319 HOH D O   
4226 O O   . HOH L .   ? 0.5758 0.3751 0.6157 -0.1456 0.1198  0.0355  320 HOH D O   
4227 O O   . HOH L .   ? 0.3007 0.5004 0.2287 0.0058  -0.0424 -0.0144 321 HOH D O   
4228 O O   . HOH L .   ? 0.5915 0.9503 0.4937 0.0801  -0.1670 0.2633  322 HOH D O   
4229 O O   . HOH L .   ? 0.3783 0.7307 0.2959 -0.1357 -0.1190 -0.0151 323 HOH D O   
4230 O O   . HOH L .   ? 0.5097 0.3531 0.1799 0.2451  -0.0430 -0.0305 324 HOH D O   
4231 O O   . HOH L .   ? 0.5350 0.2193 0.5352 -0.1016 -0.1853 0.0766  325 HOH D O   
4232 O O   . HOH L .   ? 0.1709 0.2412 0.1820 0.0117  -0.0383 0.0165  326 HOH D O   
4233 O O   . HOH L .   ? 0.3360 0.3191 0.7139 0.0015  -0.1900 -0.0827 327 HOH D O   
4234 O O   . HOH L .   ? 0.2991 0.4825 0.4591 -0.0356 -0.0707 -0.1603 328 HOH D O   
4235 O O   . HOH L .   ? 0.4659 0.4396 0.4056 0.1598  0.0373  0.0119  329 HOH D O   
4236 O O   . HOH L .   ? 0.3568 0.1961 0.2703 0.0914  0.1274  0.0843  330 HOH D O   
4237 O O   . HOH L .   ? 0.1938 0.2330 0.3017 0.0128  -0.0187 0.0481  331 HOH D O   
4238 O O   . HOH L .   ? 0.1884 0.3280 0.2576 -0.0146 -0.0109 0.0030  332 HOH D O   
4239 O O   . HOH L .   ? 0.2850 0.2448 0.4894 0.0480  -0.0309 -0.0530 333 HOH D O   
4240 O O   . HOH L .   ? 0.3410 0.6699 0.6452 -0.1140 -0.0774 -0.1701 334 HOH D O   
4241 O O   . HOH L .   ? 0.2606 0.3742 0.2402 0.0164  -0.0471 -0.0005 335 HOH D O   
4242 O O   . HOH L .   ? 0.5351 0.5484 0.5904 -0.1273 -0.1584 -0.1337 336 HOH D O   
4243 O O   . HOH L .   ? 0.4769 0.5403 0.4521 -0.0131 0.0239  0.2057  337 HOH D O   
4244 O O   . HOH L .   ? 0.5422 0.2328 0.2301 0.0606  -0.0923 0.0447  338 HOH D O   
4245 O O   . HOH L .   ? 0.4230 0.4075 0.6029 0.0613  -0.1853 0.1167  339 HOH D O   
4246 O O   . HOH L .   ? 0.4359 0.7422 0.6697 0.2867  -0.1041 0.0697  340 HOH D O   
4247 O O   . HOH L .   ? 0.2058 0.2354 0.1943 0.0713  -0.0130 -0.0082 341 HOH D O   
4248 O O   . HOH L .   ? 0.4756 0.3178 0.6664 0.0899  0.1903  -0.0807 342 HOH D O   
4249 O O   . HOH L .   ? 0.2304 0.1777 0.2970 0.0395  -0.0262 -0.0790 343 HOH D O   
4250 O O   . HOH L .   ? 0.8447 0.3673 0.5226 -0.0819 0.0077  -0.0274 344 HOH D O   
4251 O O   . HOH L .   ? 0.5960 0.7492 0.4118 -0.0901 0.1359  0.0458  345 HOH D O   
4252 O O   . HOH L .   ? 0.5084 0.2545 0.4726 -0.0051 0.1154  0.0740  346 HOH D O   
4253 O O   . HOH L .   ? 0.3899 0.3967 0.5433 -0.0126 -0.0816 0.0878  347 HOH D O   
4254 O O   . HOH L .   ? 0.3175 0.4989 0.4941 0.1827  -0.0756 -0.1659 348 HOH D O   
4255 O O   . HOH L .   ? 0.1864 0.2649 0.1796 0.0004  0.0181  -0.0187 349 HOH D O   
4256 O O   . HOH L .   ? 0.3228 0.4130 0.6497 -0.0347 0.0442  -0.1900 350 HOH D O   
4257 O O   . HOH L .   ? 0.3400 0.3968 0.3454 -0.0348 -0.0254 0.0255  351 HOH D O   
4258 O O   . HOH L .   ? 0.5606 0.2899 0.3801 -0.0290 -0.1793 -0.1110 352 HOH D O   
4259 O O   . HOH L .   ? 0.2210 0.2424 0.3344 0.0291  0.0314  -0.0432 353 HOH D O   
4260 O O   . HOH L .   ? 0.5252 0.7488 0.3567 0.0624  0.0744  -0.0891 354 HOH D O   
4261 O O   . HOH L .   ? 0.4516 0.4952 0.6447 0.1706  0.1797  0.2736  355 HOH D O   
4262 O O   . HOH L .   ? 0.2749 0.2284 0.2717 -0.0660 -0.0179 0.0086  356 HOH D O   
4263 O O   . HOH L .   ? 0.5989 0.3549 0.4600 -0.1629 0.1192  -0.0298 357 HOH D O   
4264 O O   B HOH L .   ? 0.4792 0.4240 0.3514 0.0416  0.0623  0.0297  358 HOH D O   
4265 O O   . HOH L .   ? 0.3076 0.3926 0.2684 -0.0246 0.0233  -0.0259 359 HOH D O   
4266 O O   . HOH L .   ? 0.3543 0.2746 0.3892 0.0446  0.0078  0.0260  360 HOH D O   
4267 O O   . HOH L .   ? 0.2435 0.2328 0.2400 0.0896  0.0020  -0.0284 361 HOH D O   
4268 O O   . HOH L .   ? 0.2771 0.3350 0.2577 0.0198  0.0321  0.0049  362 HOH D O   
4269 O O   . HOH L .   ? 0.4622 0.3758 0.2067 0.1024  -0.0394 -0.0427 363 HOH D O   
4270 O O   . HOH L .   ? 0.4300 0.3263 0.2308 0.1237  0.0550  0.0169  364 HOH D O   
4271 O O   . HOH L .   ? 0.5777 0.6014 0.3654 -0.1900 0.0733  0.0844  365 HOH D O   
4272 O O   . HOH L .   ? 0.4719 0.4152 0.5078 -0.1873 -0.0135 0.1727  366 HOH D O   
4273 O O   . HOH L .   ? 0.3007 0.3899 0.2073 -0.0327 -0.0623 0.0288  367 HOH D O   
4274 O O   . HOH L .   ? 0.6230 0.4627 0.2428 -0.1372 0.0408  -0.1091 368 HOH D O   
4275 O O   . HOH L .   ? 0.2941 0.3302 0.5849 -0.0314 0.0969  -0.0861 369 HOH D O   
4276 O O   . HOH L .   ? 0.6557 0.6790 0.4809 0.3787  0.0650  -0.0430 370 HOH D O   
4277 O O   . HOH L .   ? 0.3702 0.3562 0.5760 -0.0428 0.0036  0.1062  371 HOH D O   
4278 O O   . HOH L .   ? 0.2500 0.2577 0.2440 0.0067  0.0346  -0.0215 372 HOH D O   
4279 O O   . HOH L .   ? 0.3452 0.7518 0.3870 -0.0248 -0.1434 0.0737  373 HOH D O   
4280 O O   . HOH L .   ? 0.5025 0.7987 0.7940 0.1848  0.2249  0.0854  374 HOH D O   
4281 O O   . HOH L .   ? 0.5995 0.5128 0.3548 0.1050  -0.1900 -0.0037 375 HOH D O   
4282 O O   . HOH L .   ? 0.2726 0.2411 0.5059 0.0975  -0.0061 0.0774  376 HOH D O   
4283 O O   . HOH L .   ? 0.5892 0.4916 0.7004 0.1085  -0.0700 0.0686  377 HOH D O   
4284 O O   . HOH L .   ? 0.3028 0.8203 0.3862 -0.1429 0.0266  -0.0578 378 HOH D O   
4285 O O   . HOH L .   ? 0.3685 0.3903 0.3122 0.1471  -0.1185 -0.0546 379 HOH D O   
4286 O O   . HOH L .   ? 0.3732 0.5990 0.3647 0.2312  -0.1361 -0.1843 380 HOH D O   
4287 O O   . HOH L .   ? 0.6676 0.6527 0.4639 0.1203  0.0448  -0.1635 381 HOH D O   
4288 O O   . HOH L .   ? 0.2201 0.3695 0.3237 -0.0218 -0.0039 -0.0755 382 HOH D O   
4289 O O   . HOH L .   ? 0.3310 0.7097 0.6218 -0.1900 -0.0026 0.1310  383 HOH D O   
4290 O O   . HOH L .   ? 0.5701 0.8358 0.6532 0.2818  0.0727  0.0070  384 HOH D O   
4291 O O   . HOH L .   ? 0.4275 0.4911 0.7629 0.1229  0.1405  -0.1626 385 HOH D O   
4292 O O   . HOH L .   ? 0.2854 0.5453 0.4573 0.0053  -0.0798 -0.1160 386 HOH D O   
4293 O O   . HOH L .   ? 0.3209 0.8948 0.3260 0.2044  0.0597  0.1044  387 HOH D O   
4294 O O   . HOH L .   ? 0.2273 0.3457 0.2895 -0.0723 0.0068  0.0365  388 HOH D O   
4295 O O   . HOH L .   ? 0.3552 0.8264 0.4419 0.2020  -0.1235 -0.1093 389 HOH D O   
4296 O O   . HOH L .   ? 0.5214 0.4511 0.2260 0.1006  -0.0910 -0.0474 390 HOH D O   
4297 O O   . HOH L .   ? 0.3379 0.7834 0.3431 -0.1170 0.0067  -0.0244 391 HOH D O   
4298 O O   . HOH L .   ? 0.3546 0.7154 0.4122 0.0879  0.0181  0.2529  392 HOH D O   
4299 O O   . HOH L .   ? 0.6280 0.4336 0.3422 0.1080  0.0263  -0.1096 393 HOH D O   
4300 O O   . HOH L .   ? 0.3480 0.4724 0.5316 0.1534  0.0776  -0.0164 394 HOH D O   
4301 O O   . HOH L .   ? 0.5525 0.4970 0.6102 0.1359  -0.1287 -0.0456 395 HOH D O   
4302 O O   . HOH L .   ? 0.7263 0.4588 0.4767 0.2094  -0.0198 0.1951  396 HOH D O   
4303 O O   . HOH L .   ? 0.5705 0.6235 0.3609 0.3041  0.1873  0.1742  397 HOH D O   
4304 O O   . HOH L .   ? 0.5561 0.5619 0.3180 0.1943  -0.1049 -0.0934 398 HOH D O   
4305 O O   . HOH L .   ? 0.6439 0.3037 0.5140 0.0209  -0.0425 0.1139  399 HOH D O   
4306 O O   . HOH L .   ? 0.2679 0.3881 0.2654 0.0997  -0.0195 0.0380  400 HOH D O   
4307 O O   . HOH L .   ? 0.7952 0.7801 0.5853 0.0743  0.0512  -0.0681 401 HOH D O   
4308 O O   . HOH L .   ? 0.4986 0.6313 0.4757 -0.0802 -0.0471 0.2408  402 HOH D O   
4309 O O   . HOH L .   ? 0.4566 0.4825 0.5229 0.0066  0.1236  0.0286  403 HOH D O   
4310 O O   . HOH L .   ? 0.3706 0.3324 0.3660 0.1399  0.0320  -0.0343 404 HOH D O   
4311 O O   . HOH L .   ? 0.3379 0.5672 0.3753 0.0454  0.0712  -0.0168 405 HOH D O   
4312 O O   . HOH L .   ? 0.2747 0.6518 0.5309 0.0684  -0.0293 -0.1717 406 HOH D O   
4313 O O   . HOH L .   ? 0.2964 0.4111 0.5376 0.0325  0.0337  0.1678  407 HOH D O   
4314 O O   . HOH L .   ? 0.3495 0.5236 0.7685 -0.0513 -0.1623 0.0941  408 HOH D O   
4315 O O   . HOH L .   ? 0.7354 0.5843 0.5110 0.3221  0.1028  0.2144  409 HOH D O   
4316 O O   . HOH L .   ? 0.3962 0.4665 0.6839 -0.0853 0.1196  -0.1093 410 HOH D O   
4317 O O   . HOH L .   ? 0.5091 0.5111 0.3816 -0.1368 -0.1579 0.1592  411 HOH D O   
4318 O O   . HOH L .   ? 0.4779 0.4493 0.2983 0.1138  -0.0382 -0.0358 412 HOH D O   
4319 O O   . HOH L .   ? 0.3452 0.3871 0.3198 -0.0569 -0.0578 -0.0966 413 HOH D O   
4320 O O   . HOH L .   ? 0.6564 0.5169 0.5237 0.0754  0.1220  -0.1870 414 HOH D O   
4321 O O   . HOH L .   ? 0.5412 0.4894 0.5884 0.1777  0.2412  0.1851  415 HOH D O   
4322 O O   . HOH L .   ? 0.5510 0.5436 0.5398 0.0465  -0.1703 -0.1052 416 HOH D O   
4323 O O   . HOH L .   ? 0.3473 0.5253 0.3596 -0.0692 -0.0076 0.0072  417 HOH D O   
4324 O O   . HOH L .   ? 0.8227 0.6922 0.5439 0.0799  0.0561  -0.1050 418 HOH D O   
4325 O O   . HOH L .   ? 0.4623 0.8142 0.4840 0.1225  -0.1678 -0.0795 419 HOH D O   
4326 O O   . HOH L .   ? 0.4304 0.2896 0.2661 -0.0341 0.0330  -0.0548 420 HOH D O   
4327 O O   . HOH L .   ? 0.7151 0.6482 0.8121 0.0897  -0.0260 0.0011  421 HOH D O   
4328 O O   . HOH L .   ? 0.8014 0.3705 0.6017 -0.1212 0.0903  0.1338  422 HOH D O   
4329 O O   . HOH L .   ? 0.6970 0.4328 0.2922 0.0289  -0.0207 0.0333  423 HOH D O   
4330 O O   . HOH L .   ? 0.3592 0.5471 0.5325 -0.0148 -0.0985 -0.0126 424 HOH D O   
4331 O O   . HOH L .   ? 0.7058 0.4196 0.7408 -0.1799 0.2065  0.1034  425 HOH D O   
4332 O O   . HOH L .   ? 0.4260 0.8181 0.5304 -0.0666 -0.1900 -0.1558 426 HOH D O   
4333 O O   . HOH L .   ? 0.3747 0.5532 0.6998 0.0915  -0.0462 0.0769  427 HOH D O   
4334 O O   . HOH L .   ? 0.4816 0.3026 0.3704 -0.0102 0.0997  0.0064  428 HOH D O   
4335 O O   . HOH L .   ? 0.8642 0.4224 0.3210 0.0844  0.0591  0.0351  429 HOH D O   
4336 O O   . HOH L .   ? 0.7275 0.3867 0.2977 0.0792  -0.0754 -0.0530 430 HOH D O   
4337 O O   . HOH L .   ? 0.5294 0.3064 0.7084 0.0615  0.1291  0.2119  431 HOH D O   
4338 O O   . HOH L .   ? 0.6466 0.8326 0.6181 0.2321  -0.1594 0.2587  432 HOH D O   
4339 O O   . HOH L .   ? 0.2447 0.4594 0.2598 0.0923  0.0693  -0.0973 433 HOH D O   
4340 O O   . HOH L .   ? 0.6931 0.3369 0.6412 0.1475  -0.0753 -0.0211 434 HOH D O   
4341 O O   . HOH L .   ? 0.4607 0.4792 0.4673 -0.0389 0.1084  -0.1900 435 HOH D O   
4342 O O   . HOH L .   ? 0.5495 0.5878 0.6793 -0.0158 0.0314  0.3391  436 HOH D O   
4343 O O   . HOH L .   ? 0.5369 0.4042 0.3467 -0.0560 -0.1900 0.0493  437 HOH D O   
4344 O O   . HOH L .   ? 0.7124 0.5546 0.3107 0.0459  -0.1140 0.1144  438 HOH D O   
4345 O O   . HOH L .   ? 0.5431 0.7480 0.7900 0.1008  0.0446  -0.0152 439 HOH D O   
4346 O O   . HOH L .   ? 0.3203 0.6706 0.3928 0.0742  -0.0419 -0.0053 440 HOH D O   
4347 O O   . HOH L .   ? 0.4413 0.6736 0.5069 -0.1611 0.0331  -0.1160 441 HOH D O   
4348 O O   . HOH L .   ? 0.5567 0.6613 0.5645 -0.0367 -0.0094 -0.0407 442 HOH D O   
4349 O O   . HOH L .   ? 0.4748 0.3041 0.3869 0.0167  -0.0905 -0.0931 443 HOH D O   
4350 O O   . HOH L .   ? 0.3610 0.6432 0.5079 0.2308  -0.0930 -0.0833 444 HOH D O   
4351 O O   . HOH L .   ? 0.8395 0.4457 0.3503 0.1971  0.0026  0.1302  445 HOH D O   
4352 O O   . HOH L .   ? 0.5582 0.6271 0.6413 -0.0245 0.0559  -0.0928 446 HOH D O   
4353 O O   . HOH L .   ? 0.6741 0.4069 0.3700 -0.0482 -0.0350 -0.1110 447 HOH D O   
4354 O O   . HOH L .   ? 0.4822 0.4925 0.6544 0.1583  0.0538  0.1124  448 HOH D O   
4355 O O   . HOH L .   ? 0.4364 0.4270 0.1808 -0.1399 0.0347  0.0321  449 HOH D O   
4356 O O   . HOH L .   ? 0.7808 0.6711 0.5620 -0.1649 -0.1738 -0.1692 450 HOH D O   
4357 O O   . HOH L .   ? 0.4496 0.6978 0.4760 -0.0877 -0.1155 -0.1281 451 HOH D O   
4358 O O   . HOH L .   ? 0.5301 0.5519 0.3709 0.2774  -0.0663 -0.1468 452 HOH D O   
4359 O O   . HOH L .   ? 0.6192 0.3830 0.5883 -0.0995 -0.0602 -0.0530 453 HOH D O   
4360 O O   . HOH L .   ? 0.6785 0.4951 0.7681 0.1836  0.3593  0.0172  454 HOH D O   
4361 O O   . HOH L .   ? 0.7387 0.6985 0.6339 -0.0281 0.0214  -0.0994 455 HOH D O   
4362 O O   . HOH L .   ? 0.8386 0.4951 0.5626 -0.0058 0.0769  -0.1252 456 HOH D O   
4363 O O   . HOH L .   ? 0.7046 0.5962 0.4903 0.2368  -0.0032 -0.1601 457 HOH D O   
4364 O O   . HOH L .   ? 0.6131 0.6093 0.5979 0.0988  -0.1066 0.2676  458 HOH D O   
4365 O O   . HOH L .   ? 0.3031 0.5795 0.3844 -0.0042 -0.0502 -0.0897 459 HOH D O   
4366 O O   . HOH L .   ? 0.5314 0.6213 0.7370 0.0394  -0.0552 0.0483  460 HOH D O   
4367 O O   . HOH L .   ? 0.5899 0.4096 0.5757 0.1671  0.0100  -0.1827 461 HOH D O   
# 
