data_8Y2A
# 
_entry.id   8Y2A 
# 
_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   8Y2A         pdb_00008y2a 10.2210/pdb8y2a/pdb 
WWPDB D_1300040390 ?            ?                   
# 
_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                        8Y2A 
_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 3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzoate' 269.252   4   ? ? ? ? 
3 water       nat water                                                         18.015    628 ? ? ? ? 
# 
_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 3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzoate' MT6 
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 
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 
MT6 non-polymer         . 'methyl 3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzoate' ? 'C15 H11 N O4'   269.252 
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  15  ALA ALA 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  46  ALA ALA B . n 
B 1 33  VAL 33  47  47  VAL VAL B . n 
B 1 34  GLY 34  48  48  GLY GLY B . n 
B 1 35  ASN 35  49  ?   ?   ?   B . n 
B 1 36  ALA 36  50  ?   ?   ?   B . n 
B 1 37  GLU 37  51  ?   ?   ?   B . n 
B 1 38  SER 38  52  ?   ?   ?   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  46  ALA ALA C . n 
C 1 33  VAL 33  47  47  VAL VAL 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  ?   ?   ?   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 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        MT6 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   MT6 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
E 2 MT6 1   201 201 MT6 MT6 A . 
F 2 MT6 1   201 201 MT6 MT6 B . 
G 2 MT6 1   201 201 MT6 MT6 C . 
H 2 MT6 1   201 201 MT6 MT6 D . 
I 3 HOH 1   301 439 HOH HOH A . 
I 3 HOH 2   302 419 HOH HOH A . 
I 3 HOH 3   303 415 HOH HOH A . 
I 3 HOH 4   304 384 HOH HOH A . 
I 3 HOH 5   305 164 HOH HOH A . 
I 3 HOH 6   306 480 HOH HOH A . 
I 3 HOH 7   307 413 HOH HOH A . 
I 3 HOH 8   308 11  HOH HOH A . 
I 3 HOH 9   309 109 HOH HOH A . 
I 3 HOH 10  310 169 HOH HOH A . 
I 3 HOH 11  311 319 HOH HOH A . 
I 3 HOH 12  312 4   HOH HOH A . 
I 3 HOH 13  313 83  HOH HOH A . 
I 3 HOH 14  314 31  HOH HOH A . 
I 3 HOH 15  315 153 HOH HOH A . 
I 3 HOH 16  316 279 HOH HOH A . 
I 3 HOH 17  317 157 HOH HOH A . 
I 3 HOH 18  318 421 HOH HOH A . 
I 3 HOH 19  319 160 HOH HOH A . 
I 3 HOH 20  320 264 HOH HOH A . 
I 3 HOH 21  321 409 HOH HOH A . 
I 3 HOH 22  322 366 HOH HOH A . 
I 3 HOH 23  323 187 HOH HOH A . 
I 3 HOH 24  324 150 HOH HOH A . 
I 3 HOH 25  325 196 HOH HOH A . 
I 3 HOH 26  326 58  HOH HOH A . 
I 3 HOH 27  327 228 HOH HOH A . 
I 3 HOH 28  328 43  HOH HOH A . 
I 3 HOH 29  329 214 HOH HOH A . 
I 3 HOH 30  330 61  HOH HOH A . 
I 3 HOH 31  331 459 HOH HOH A . 
I 3 HOH 32  332 146 HOH HOH A . 
I 3 HOH 33  333 66  HOH HOH A . 
I 3 HOH 34  334 351 HOH HOH A . 
I 3 HOH 35  335 466 HOH HOH A . 
I 3 HOH 36  336 354 HOH HOH A . 
I 3 HOH 37  337 128 HOH HOH A . 
I 3 HOH 38  338 117 HOH HOH A . 
I 3 HOH 39  339 257 HOH HOH A . 
I 3 HOH 40  340 353 HOH HOH A . 
I 3 HOH 41  341 72  HOH HOH A . 
I 3 HOH 42  342 253 HOH HOH A . 
I 3 HOH 43  343 434 HOH HOH A . 
I 3 HOH 44  344 190 HOH HOH A . 
I 3 HOH 45  345 123 HOH HOH A . 
I 3 HOH 46  346 16  HOH HOH A . 
I 3 HOH 47  347 6   HOH HOH A . 
I 3 HOH 48  348 609 HOH HOH A . 
I 3 HOH 49  349 159 HOH HOH A . 
I 3 HOH 50  350 401 HOH HOH A . 
I 3 HOH 51  351 194 HOH HOH A . 
I 3 HOH 52  352 403 HOH HOH A . 
I 3 HOH 53  353 77  HOH HOH A . 
I 3 HOH 54  354 268 HOH HOH A . 
I 3 HOH 55  355 288 HOH HOH A . 
I 3 HOH 56  356 174 HOH HOH A . 
I 3 HOH 57  357 624 HOH HOH A . 
I 3 HOH 58  358 45  HOH HOH A . 
I 3 HOH 59  359 374 HOH HOH A . 
I 3 HOH 60  360 69  HOH HOH A . 
I 3 HOH 61  361 40  HOH HOH A . 
I 3 HOH 62  362 1   HOH HOH A . 
I 3 HOH 63  363 596 HOH HOH A . 
I 3 HOH 64  364 78  HOH HOH A . 
I 3 HOH 65  365 398 HOH HOH A . 
I 3 HOH 66  366 229 HOH HOH A . 
I 3 HOH 67  367 265 HOH HOH A . 
I 3 HOH 68  368 598 HOH HOH A . 
I 3 HOH 69  369 101 HOH HOH A . 
I 3 HOH 70  370 247 HOH HOH A . 
I 3 HOH 71  371 96  HOH HOH A . 
I 3 HOH 72  372 44  HOH HOH A . 
I 3 HOH 73  373 173 HOH HOH A . 
I 3 HOH 74  374 39  HOH HOH A . 
I 3 HOH 75  375 204 HOH HOH A . 
I 3 HOH 76  376 46  HOH HOH A . 
I 3 HOH 77  377 301 HOH HOH A . 
I 3 HOH 78  378 327 HOH HOH A . 
I 3 HOH 79  379 359 HOH HOH A . 
I 3 HOH 80  380 498 HOH HOH A . 
I 3 HOH 81  381 19  HOH HOH A . 
I 3 HOH 82  382 203 HOH HOH A . 
I 3 HOH 83  383 378 HOH HOH A . 
I 3 HOH 84  384 455 HOH HOH A . 
I 3 HOH 85  385 139 HOH HOH A . 
I 3 HOH 86  386 221 HOH HOH A . 
I 3 HOH 87  387 590 HOH HOH A . 
I 3 HOH 88  388 293 HOH HOH A . 
I 3 HOH 89  389 23  HOH HOH A . 
I 3 HOH 90  390 243 HOH HOH A . 
I 3 HOH 91  391 622 HOH HOH A . 
I 3 HOH 92  392 530 HOH HOH A . 
I 3 HOH 93  393 177 HOH HOH A . 
I 3 HOH 94  394 563 HOH HOH A . 
I 3 HOH 95  395 67  HOH HOH A . 
I 3 HOH 96  396 89  HOH HOH A . 
I 3 HOH 97  397 82  HOH HOH A . 
I 3 HOH 98  398 114 HOH HOH A . 
I 3 HOH 99  399 154 HOH HOH A . 
I 3 HOH 100 400 389 HOH HOH A . 
I 3 HOH 101 401 410 HOH HOH A . 
I 3 HOH 102 402 396 HOH HOH A . 
I 3 HOH 103 403 375 HOH HOH A . 
I 3 HOH 104 404 600 HOH HOH A . 
I 3 HOH 105 405 519 HOH HOH A . 
I 3 HOH 106 406 595 HOH HOH A . 
I 3 HOH 107 407 285 HOH HOH A . 
I 3 HOH 108 408 399 HOH HOH A . 
I 3 HOH 109 409 463 HOH HOH A . 
I 3 HOH 110 410 489 HOH HOH A . 
I 3 HOH 111 411 568 HOH HOH A . 
I 3 HOH 112 412 35  HOH HOH A . 
I 3 HOH 113 413 497 HOH HOH A . 
I 3 HOH 114 414 179 HOH HOH A . 
I 3 HOH 115 415 452 HOH HOH A . 
I 3 HOH 116 416 551 HOH HOH A . 
I 3 HOH 117 417 144 HOH HOH A . 
I 3 HOH 118 418 592 HOH HOH A . 
I 3 HOH 119 419 532 HOH HOH A . 
I 3 HOH 120 420 529 HOH HOH A . 
I 3 HOH 121 421 272 HOH HOH A . 
I 3 HOH 122 422 119 HOH HOH A . 
I 3 HOH 123 423 548 HOH HOH A . 
I 3 HOH 124 424 321 HOH HOH A . 
I 3 HOH 125 425 481 HOH HOH A . 
I 3 HOH 126 426 534 HOH HOH A . 
I 3 HOH 127 427 510 HOH HOH A . 
I 3 HOH 128 428 616 HOH HOH A . 
I 3 HOH 129 429 104 HOH HOH A . 
I 3 HOH 130 430 583 HOH HOH A . 
I 3 HOH 131 431 245 HOH HOH A . 
I 3 HOH 132 432 216 HOH HOH A . 
I 3 HOH 133 433 623 HOH HOH A . 
I 3 HOH 134 434 298 HOH HOH A . 
I 3 HOH 135 435 451 HOH HOH A . 
I 3 HOH 136 436 161 HOH HOH A . 
I 3 HOH 137 437 578 HOH HOH A . 
I 3 HOH 138 438 283 HOH HOH A . 
I 3 HOH 139 439 479 HOH HOH A . 
I 3 HOH 140 440 295 HOH HOH A . 
I 3 HOH 141 441 118 HOH HOH A . 
I 3 HOH 142 442 231 HOH HOH A . 
I 3 HOH 143 443 352 HOH HOH A . 
I 3 HOH 144 444 523 HOH HOH A . 
I 3 HOH 145 445 605 HOH HOH A . 
I 3 HOH 146 446 391 HOH HOH A . 
I 3 HOH 147 447 483 HOH HOH A . 
I 3 HOH 148 448 476 HOH HOH A . 
I 3 HOH 149 449 300 HOH HOH A . 
I 3 HOH 150 450 625 HOH HOH A . 
I 3 HOH 151 451 521 HOH HOH A . 
I 3 HOH 152 452 274 HOH HOH A . 
I 3 HOH 153 453 461 HOH HOH A . 
I 3 HOH 154 454 513 HOH HOH A . 
I 3 HOH 155 455 525 HOH HOH A . 
I 3 HOH 156 456 312 HOH HOH A . 
I 3 HOH 157 457 536 HOH HOH A . 
I 3 HOH 158 458 346 HOH HOH A . 
I 3 HOH 159 459 454 HOH HOH A . 
I 3 HOH 160 460 571 HOH HOH A . 
I 3 HOH 161 461 537 HOH HOH A . 
I 3 HOH 162 462 211 HOH HOH A . 
I 3 HOH 163 463 208 HOH HOH A . 
I 3 HOH 164 464 271 HOH HOH A . 
I 3 HOH 165 465 587 HOH HOH A . 
I 3 HOH 166 466 458 HOH HOH A . 
I 3 HOH 167 467 303 HOH HOH A . 
I 3 HOH 168 468 579 HOH HOH A . 
I 3 HOH 169 469 362 HOH HOH A . 
I 3 HOH 170 470 393 HOH HOH A . 
I 3 HOH 171 471 491 HOH HOH A . 
I 3 HOH 172 472 349 HOH HOH A . 
I 3 HOH 173 473 417 HOH HOH A . 
I 3 HOH 174 474 517 HOH HOH A . 
I 3 HOH 175 475 549 HOH HOH A . 
I 3 HOH 176 476 192 HOH HOH A . 
I 3 HOH 177 477 580 HOH HOH A . 
I 3 HOH 178 478 435 HOH HOH A . 
I 3 HOH 179 479 507 HOH HOH A . 
I 3 HOH 180 480 338 HOH HOH A . 
I 3 HOH 181 481 601 HOH HOH A . 
I 3 HOH 182 482 448 HOH HOH A . 
I 3 HOH 183 483 493 HOH HOH A . 
I 3 HOH 184 484 602 HOH HOH A . 
I 3 HOH 185 485 597 HOH HOH A . 
I 3 HOH 186 486 201 HOH HOH A . 
J 3 HOH 1   301 405 HOH HOH B . 
J 3 HOH 2   302 464 HOH HOH B . 
J 3 HOH 3   303 56  HOH HOH B . 
J 3 HOH 4   304 475 HOH HOH B . 
J 3 HOH 5   305 105 HOH HOH B . 
J 3 HOH 6   306 584 HOH HOH B . 
J 3 HOH 7   307 126 HOH HOH B . 
J 3 HOH 8   308 496 HOH HOH B . 
J 3 HOH 9   309 193 HOH HOH B . 
J 3 HOH 10  310 341 HOH HOH B . 
J 3 HOH 11  311 627 HOH HOH B . 
J 3 HOH 12  312 2   HOH HOH B . 
J 3 HOH 13  313 75  HOH HOH B . 
J 3 HOH 14  314 121 HOH HOH B . 
J 3 HOH 15  315 478 HOH HOH B . 
J 3 HOH 16  316 145 HOH HOH B . 
J 3 HOH 17  317 86  HOH HOH B . 
J 3 HOH 18  318 277 HOH HOH B . 
J 3 HOH 19  319 365 HOH HOH B . 
J 3 HOH 20  320 141 HOH HOH B . 
J 3 HOH 21  321 132 HOH HOH B . 
J 3 HOH 22  322 275 HOH HOH B . 
J 3 HOH 23  323 76  HOH HOH B . 
J 3 HOH 24  324 270 HOH HOH B . 
J 3 HOH 25  325 28  HOH HOH B . 
J 3 HOH 26  326 13  HOH HOH B . 
J 3 HOH 27  327 286 HOH HOH B . 
J 3 HOH 28  328 74  HOH HOH B . 
J 3 HOH 29  329 64  HOH HOH B . 
J 3 HOH 30  330 254 HOH HOH B . 
J 3 HOH 31  331 414 HOH HOH B . 
J 3 HOH 32  332 29  HOH HOH B . 
J 3 HOH 33  333 18  HOH HOH B . 
J 3 HOH 34  334 9   HOH HOH B . 
J 3 HOH 35  335 108 HOH HOH B . 
J 3 HOH 36  336 340 HOH HOH B . 
J 3 HOH 37  337 98  HOH HOH B . 
J 3 HOH 38  338 276 HOH HOH B . 
J 3 HOH 39  339 12  HOH HOH B . 
J 3 HOH 40  340 411 HOH HOH B . 
J 3 HOH 41  341 163 HOH HOH B . 
J 3 HOH 42  342 618 HOH HOH B . 
J 3 HOH 43  343 209 HOH HOH B . 
J 3 HOH 44  344 27  HOH HOH B . 
J 3 HOH 45  345 205 HOH HOH B . 
J 3 HOH 46  346 357 HOH HOH B . 
J 3 HOH 47  347 195 HOH HOH B . 
J 3 HOH 48  348 518 HOH HOH B . 
J 3 HOH 49  349 178 HOH HOH B . 
J 3 HOH 50  350 528 HOH HOH B . 
J 3 HOH 51  351 120 HOH HOH B . 
J 3 HOH 52  352 32  HOH HOH B . 
J 3 HOH 53  353 41  HOH HOH B . 
J 3 HOH 54  354 345 HOH HOH B . 
J 3 HOH 55  355 318 HOH HOH B . 
J 3 HOH 56  356 514 HOH HOH B . 
J 3 HOH 57  357 302 HOH HOH B . 
J 3 HOH 58  358 92  HOH HOH B . 
J 3 HOH 59  359 358 HOH HOH B . 
J 3 HOH 60  360 171 HOH HOH B . 
J 3 HOH 61  361 131 HOH HOH B . 
J 3 HOH 62  362 249 HOH HOH B . 
J 3 HOH 63  363 94  HOH HOH B . 
J 3 HOH 64  364 355 HOH HOH B . 
J 3 HOH 65  365 51  HOH HOH B . 
J 3 HOH 66  366 168 HOH HOH B . 
J 3 HOH 67  367 93  HOH HOH B . 
J 3 HOH 68  368 188 HOH HOH B . 
J 3 HOH 69  369 52  HOH HOH B . 
J 3 HOH 70  370 152 HOH HOH B . 
J 3 HOH 71  371 25  HOH HOH B . 
J 3 HOH 72  372 138 HOH HOH B . 
J 3 HOH 73  373 149 HOH HOH B . 
J 3 HOH 74  374 230 HOH HOH B . 
J 3 HOH 75  375 80  HOH HOH B . 
J 3 HOH 76  376 490 HOH HOH B . 
J 3 HOH 77  377 102 HOH HOH B . 
J 3 HOH 78  378 137 HOH HOH B . 
J 3 HOH 79  379 372 HOH HOH B . 
J 3 HOH 80  380 220 HOH HOH B . 
J 3 HOH 81  381 140 HOH HOH B . 
J 3 HOH 82  382 465 HOH HOH B . 
J 3 HOH 83  383 620 HOH HOH B . 
J 3 HOH 84  384 581 HOH HOH B . 
J 3 HOH 85  385 326 HOH HOH B . 
J 3 HOH 86  386 379 HOH HOH B . 
J 3 HOH 87  387 492 HOH HOH B . 
J 3 HOH 88  388 60  HOH HOH B . 
J 3 HOH 89  389 261 HOH HOH B . 
J 3 HOH 90  390 531 HOH HOH B . 
J 3 HOH 91  391 614 HOH HOH B . 
J 3 HOH 92  392 238 HOH HOH B . 
J 3 HOH 93  393 63  HOH HOH B . 
J 3 HOH 94  394 310 HOH HOH B . 
J 3 HOH 95  395 189 HOH HOH B . 
J 3 HOH 96  396 615 HOH HOH B . 
J 3 HOH 97  397 260 HOH HOH B . 
J 3 HOH 98  398 70  HOH HOH B . 
J 3 HOH 99  399 350 HOH HOH B . 
J 3 HOH 100 400 469 HOH HOH B . 
J 3 HOH 101 401 576 HOH HOH B . 
J 3 HOH 102 402 166 HOH HOH B . 
J 3 HOH 103 403 585 HOH HOH B . 
J 3 HOH 104 404 266 HOH HOH B . 
J 3 HOH 105 405 404 HOH HOH B . 
J 3 HOH 106 406 343 HOH HOH B . 
J 3 HOH 107 407 557 HOH HOH B . 
J 3 HOH 108 408 234 HOH HOH B . 
J 3 HOH 109 409 380 HOH HOH B . 
J 3 HOH 110 410 363 HOH HOH B . 
J 3 HOH 111 411 472 HOH HOH B . 
J 3 HOH 112 412 428 HOH HOH B . 
J 3 HOH 113 413 487 HOH HOH B . 
J 3 HOH 114 414 559 HOH HOH B . 
J 3 HOH 115 415 406 HOH HOH B . 
J 3 HOH 116 416 110 HOH HOH B . 
J 3 HOH 117 417 474 HOH HOH B . 
J 3 HOH 118 418 535 HOH HOH B . 
J 3 HOH 119 419 290 HOH HOH B . 
J 3 HOH 120 420 306 HOH HOH B . 
J 3 HOH 121 421 212 HOH HOH B . 
J 3 HOH 122 422 267 HOH HOH B . 
J 3 HOH 123 423 382 HOH HOH B . 
J 3 HOH 124 424 504 HOH HOH B . 
J 3 HOH 125 425 599 HOH HOH B . 
J 3 HOH 126 426 170 HOH HOH B . 
J 3 HOH 127 427 488 HOH HOH B . 
J 3 HOH 128 428 603 HOH HOH B . 
J 3 HOH 129 429 508 HOH HOH B . 
J 3 HOH 130 430 186 HOH HOH B . 
J 3 HOH 131 431 541 HOH HOH B . 
J 3 HOH 132 432 589 HOH HOH B . 
J 3 HOH 133 433 420 HOH HOH B . 
J 3 HOH 134 434 566 HOH HOH B . 
J 3 HOH 135 435 473 HOH HOH B . 
K 3 HOH 1   301 515 HOH HOH C . 
K 3 HOH 2   302 335 HOH HOH C . 
K 3 HOH 3   303 482 HOH HOH C . 
K 3 HOH 4   304 172 HOH HOH C . 
K 3 HOH 5   305 373 HOH HOH C . 
K 3 HOH 6   306 97  HOH HOH C . 
K 3 HOH 7   307 547 HOH HOH C . 
K 3 HOH 8   308 408 HOH HOH C . 
K 3 HOH 9   309 322 HOH HOH C . 
K 3 HOH 10  310 240 HOH HOH C . 
K 3 HOH 11  311 320 HOH HOH C . 
K 3 HOH 12  312 494 HOH HOH C . 
K 3 HOH 13  313 565 HOH HOH C . 
K 3 HOH 14  314 213 HOH HOH C . 
K 3 HOH 15  315 207 HOH HOH C . 
K 3 HOH 16  316 200 HOH HOH C . 
K 3 HOH 17  317 167 HOH HOH C . 
K 3 HOH 18  318 112 HOH HOH C . 
K 3 HOH 19  319 291 HOH HOH C . 
K 3 HOH 20  320 122 HOH HOH C . 
K 3 HOH 21  321 182 HOH HOH C . 
K 3 HOH 22  322 337 HOH HOH C . 
K 3 HOH 23  323 10  HOH HOH C . 
K 3 HOH 24  324 273 HOH HOH C . 
K 3 HOH 25  325 134 HOH HOH C . 
K 3 HOH 26  326 263 HOH HOH C . 
K 3 HOH 27  327 467 HOH HOH C . 
K 3 HOH 28  328 151 HOH HOH C . 
K 3 HOH 29  329 206 HOH HOH C . 
K 3 HOH 30  330 30  HOH HOH C . 
K 3 HOH 31  331 442 HOH HOH C . 
K 3 HOH 32  332 116 HOH HOH C . 
K 3 HOH 33  333 564 HOH HOH C . 
K 3 HOH 34  334 332 HOH HOH C . 
K 3 HOH 35  335 210 HOH HOH C . 
K 3 HOH 36  336 53  HOH HOH C . 
K 3 HOH 37  337 423 HOH HOH C . 
K 3 HOH 38  338 20  HOH HOH C . 
K 3 HOH 39  339 304 HOH HOH C . 
K 3 HOH 40  340 54  HOH HOH C . 
K 3 HOH 41  341 107 HOH HOH C . 
K 3 HOH 42  342 7   HOH HOH C . 
K 3 HOH 43  343 99  HOH HOH C . 
K 3 HOH 44  344 37  HOH HOH C . 
K 3 HOH 45  345 48  HOH HOH C . 
K 3 HOH 46  346 522 HOH HOH C . 
K 3 HOH 47  347 376 HOH HOH C . 
K 3 HOH 48  348 250 HOH HOH C . 
K 3 HOH 49  349 313 HOH HOH C . 
K 3 HOH 50  350 397 HOH HOH C . 
K 3 HOH 51  351 425 HOH HOH C . 
K 3 HOH 52  352 236 HOH HOH C . 
K 3 HOH 53  353 14  HOH HOH C . 
K 3 HOH 54  354 136 HOH HOH C . 
K 3 HOH 55  355 55  HOH HOH C . 
K 3 HOH 56  356 71  HOH HOH C . 
K 3 HOH 57  357 191 HOH HOH C . 
K 3 HOH 58  358 8   HOH HOH C . 
K 3 HOH 59  359 360 HOH HOH C . 
K 3 HOH 60  360 385 HOH HOH C . 
K 3 HOH 61  361 611 HOH HOH C . 
K 3 HOH 62  362 57  HOH HOH C . 
K 3 HOH 63  363 545 HOH HOH C . 
K 3 HOH 64  364 87  HOH HOH C . 
K 3 HOH 65  365 456 HOH HOH C . 
K 3 HOH 66  366 433 HOH HOH C . 
K 3 HOH 67  367 297 HOH HOH C . 
K 3 HOH 68  368 183 HOH HOH C . 
K 3 HOH 69  369 299 HOH HOH C . 
K 3 HOH 70  370 111 HOH HOH C . 
K 3 HOH 71  371 438 HOH HOH C . 
K 3 HOH 72  372 165 HOH HOH C . 
K 3 HOH 73  373 176 HOH HOH C . 
K 3 HOH 74  374 608 HOH HOH C . 
K 3 HOH 75  375 314 HOH HOH C . 
K 3 HOH 76  376 329 HOH HOH C . 
K 3 HOH 77  377 430 HOH HOH C . 
K 3 HOH 78  378 217 HOH HOH C . 
K 3 HOH 79  379 162 HOH HOH C . 
K 3 HOH 80  380 242 HOH HOH C . 
K 3 HOH 81  381 308 HOH HOH C . 
K 3 HOH 82  382 429 HOH HOH C . 
K 3 HOH 83  383 225 HOH HOH C . 
K 3 HOH 84  384 255 HOH HOH C . 
K 3 HOH 85  385 125 HOH HOH C . 
K 3 HOH 86  386 115 HOH HOH C . 
K 3 HOH 87  387 199 HOH HOH C . 
K 3 HOH 88  388 431 HOH HOH C . 
K 3 HOH 89  389 227 HOH HOH C . 
K 3 HOH 90  390 42  HOH HOH C . 
K 3 HOH 91  391 628 HOH HOH C . 
K 3 HOH 92  392 133 HOH HOH C . 
K 3 HOH 93  393 311 HOH HOH C . 
K 3 HOH 94  394 395 HOH HOH C . 
K 3 HOH 95  395 294 HOH HOH C . 
K 3 HOH 96  396 613 HOH HOH C . 
K 3 HOH 97  397 527 HOH HOH C . 
K 3 HOH 98  398 447 HOH HOH C . 
K 3 HOH 99  399 129 HOH HOH C . 
K 3 HOH 100 400 542 HOH HOH C . 
K 3 HOH 101 401 317 HOH HOH C . 
K 3 HOH 102 402 284 HOH HOH C . 
K 3 HOH 103 403 244 HOH HOH C . 
K 3 HOH 104 404 424 HOH HOH C . 
K 3 HOH 105 405 453 HOH HOH C . 
K 3 HOH 106 406 484 HOH HOH C . 
K 3 HOH 107 407 130 HOH HOH C . 
K 3 HOH 108 408 436 HOH HOH C . 
K 3 HOH 109 409 315 HOH HOH C . 
K 3 HOH 110 410 443 HOH HOH C . 
K 3 HOH 111 411 511 HOH HOH C . 
K 3 HOH 112 412 333 HOH HOH C . 
K 3 HOH 113 413 34  HOH HOH C . 
K 3 HOH 114 414 444 HOH HOH C . 
K 3 HOH 115 415 175 HOH HOH C . 
K 3 HOH 116 416 500 HOH HOH C . 
K 3 HOH 117 417 533 HOH HOH C . 
K 3 HOH 118 418 544 HOH HOH C . 
K 3 HOH 119 419 524 HOH HOH C . 
K 3 HOH 120 420 305 HOH HOH C . 
K 3 HOH 121 421 368 HOH HOH C . 
K 3 HOH 122 422 577 HOH HOH C . 
K 3 HOH 123 423 422 HOH HOH C . 
K 3 HOH 124 424 485 HOH HOH C . 
K 3 HOH 125 425 512 HOH HOH C . 
K 3 HOH 126 426 495 HOH HOH C . 
K 3 HOH 127 427 567 HOH HOH C . 
K 3 HOH 128 428 591 HOH HOH C . 
K 3 HOH 129 429 561 HOH HOH C . 
K 3 HOH 130 430 520 HOH HOH C . 
K 3 HOH 131 431 278 HOH HOH C . 
K 3 HOH 132 432 371 HOH HOH C . 
K 3 HOH 133 433 449 HOH HOH C . 
K 3 HOH 134 434 432 HOH HOH C . 
K 3 HOH 135 435 575 HOH HOH C . 
K 3 HOH 136 436 402 HOH HOH C . 
K 3 HOH 137 437 226 HOH HOH C . 
K 3 HOH 138 438 348 HOH HOH C . 
K 3 HOH 139 439 344 HOH HOH C . 
K 3 HOH 140 440 470 HOH HOH C . 
K 3 HOH 141 441 367 HOH HOH C . 
K 3 HOH 142 442 457 HOH HOH C . 
K 3 HOH 143 443 446 HOH HOH C . 
K 3 HOH 144 444 539 HOH HOH C . 
K 3 HOH 145 445 269 HOH HOH C . 
K 3 HOH 146 446 239 HOH HOH C . 
K 3 HOH 147 447 468 HOH HOH C . 
K 3 HOH 148 448 594 HOH HOH C . 
K 3 HOH 149 449 386 HOH HOH C . 
K 3 HOH 150 450 328 HOH HOH C . 
K 3 HOH 151 451 572 HOH HOH C . 
K 3 HOH 152 452 427 HOH HOH C . 
K 3 HOH 153 453 562 HOH HOH C . 
K 3 HOH 154 454 588 HOH HOH C . 
K 3 HOH 155 455 505 HOH HOH C . 
K 3 HOH 156 456 607 HOH HOH C . 
K 3 HOH 157 457 558 HOH HOH C . 
L 3 HOH 1   301 248 HOH HOH D . 
L 3 HOH 2   302 426 HOH HOH D . 
L 3 HOH 3   303 377 HOH HOH D . 
L 3 HOH 4   304 68  HOH HOH D . 
L 3 HOH 5   305 307 HOH HOH D . 
L 3 HOH 6   306 24  HOH HOH D . 
L 3 HOH 7   307 292 HOH HOH D . 
L 3 HOH 8   308 437 HOH HOH D . 
L 3 HOH 9   309 85  HOH HOH D . 
L 3 HOH 10  310 113 HOH HOH D . 
L 3 HOH 11  311 445 HOH HOH D . 
L 3 HOH 12  312 235 HOH HOH D . 
L 3 HOH 13  313 158 HOH HOH D . 
L 3 HOH 14  314 262 HOH HOH D . 
L 3 HOH 15  315 251 HOH HOH D . 
L 3 HOH 16  316 17  HOH HOH D . 
L 3 HOH 17  317 198 HOH HOH D . 
L 3 HOH 18  318 612 HOH HOH D . 
L 3 HOH 19  319 364 HOH HOH D . 
L 3 HOH 20  320 347 HOH HOH D . 
L 3 HOH 21  321 324 HOH HOH D . 
L 3 HOH 22  322 22  HOH HOH D . 
L 3 HOH 23  323 33  HOH HOH D . 
L 3 HOH 24  324 79  HOH HOH D . 
L 3 HOH 25  325 142 HOH HOH D . 
L 3 HOH 26  326 3   HOH HOH D . 
L 3 HOH 27  327 88  HOH HOH D . 
L 3 HOH 28  328 36  HOH HOH D . 
L 3 HOH 29  329 81  HOH HOH D . 
L 3 HOH 30  330 477 HOH HOH D . 
L 3 HOH 31  331 224 HOH HOH D . 
L 3 HOH 32  332 100 HOH HOH D . 
L 3 HOH 33  333 325 HOH HOH D . 
L 3 HOH 34  334 331 HOH HOH D . 
L 3 HOH 35  335 330 HOH HOH D . 
L 3 HOH 36  336 281 HOH HOH D . 
L 3 HOH 37  337 215 HOH HOH D . 
L 3 HOH 38  338 49  HOH HOH D . 
L 3 HOH 39  339 336 HOH HOH D . 
L 3 HOH 40  340 440 HOH HOH D . 
L 3 HOH 41  341 381 HOH HOH D . 
L 3 HOH 42  342 26  HOH HOH D . 
L 3 HOH 43  343 21  HOH HOH D . 
L 3 HOH 44  344 5   HOH HOH D . 
L 3 HOH 45  345 148 HOH HOH D . 
L 3 HOH 46  346 62  HOH HOH D . 
L 3 HOH 47  347 219 HOH HOH D . 
L 3 HOH 48  348 554 HOH HOH D . 
L 3 HOH 49  349 370 HOH HOH D . 
L 3 HOH 50  350 50  HOH HOH D . 
L 3 HOH 51  351 222 HOH HOH D . 
L 3 HOH 52  352 135 HOH HOH D . 
L 3 HOH 53  353 184 HOH HOH D . 
L 3 HOH 54  354 619 HOH HOH D . 
L 3 HOH 55  355 538 HOH HOH D . 
L 3 HOH 56  356 65  HOH HOH D . 
L 3 HOH 57  357 15  HOH HOH D . 
L 3 HOH 58  358 237 HOH HOH D . 
L 3 HOH 59  359 289 HOH HOH D . 
L 3 HOH 60  360 610 HOH HOH D . 
L 3 HOH 61  361 287 HOH HOH D . 
L 3 HOH 62  362 59  HOH HOH D . 
L 3 HOH 63  363 441 HOH HOH D . 
L 3 HOH 64  364 296 HOH HOH D . 
L 3 HOH 65  365 185 HOH HOH D . 
L 3 HOH 66  366 499 HOH HOH D . 
L 3 HOH 67  367 416 HOH HOH D . 
L 3 HOH 68  368 73  HOH HOH D . 
L 3 HOH 69  369 147 HOH HOH D . 
L 3 HOH 70  370 604 HOH HOH D . 
L 3 HOH 71  371 95  HOH HOH D . 
L 3 HOH 72  372 47  HOH HOH D . 
L 3 HOH 73  373 38  HOH HOH D . 
L 3 HOH 74  374 103 HOH HOH D . 
L 3 HOH 75  375 390 HOH HOH D . 
L 3 HOH 76  376 259 HOH HOH D . 
L 3 HOH 77  377 233 HOH HOH D . 
L 3 HOH 78  378 197 HOH HOH D . 
L 3 HOH 79  379 383 HOH HOH D . 
L 3 HOH 80  380 573 HOH HOH D . 
L 3 HOH 81  381 156 HOH HOH D . 
L 3 HOH 82  382 256 HOH HOH D . 
L 3 HOH 83  383 258 HOH HOH D . 
L 3 HOH 84  384 540 HOH HOH D . 
L 3 HOH 85  385 223 HOH HOH D . 
L 3 HOH 86  386 392 HOH HOH D . 
L 3 HOH 87  387 550 HOH HOH D . 
L 3 HOH 88  388 180 HOH HOH D . 
L 3 HOH 89  389 316 HOH HOH D . 
L 3 HOH 90  390 526 HOH HOH D . 
L 3 HOH 91  391 91  HOH HOH D . 
L 3 HOH 92  392 342 HOH HOH D . 
L 3 HOH 93  393 621 HOH HOH D . 
L 3 HOH 94  394 202 HOH HOH D . 
L 3 HOH 95  395 323 HOH HOH D . 
L 3 HOH 96  396 241 HOH HOH D . 
L 3 HOH 97  397 486 HOH HOH D . 
L 3 HOH 98  398 124 HOH HOH D . 
L 3 HOH 99  399 570 HOH HOH D . 
L 3 HOH 100 400 252 HOH HOH D . 
L 3 HOH 101 401 556 HOH HOH D . 
L 3 HOH 102 402 553 HOH HOH D . 
L 3 HOH 103 403 569 HOH HOH D . 
L 3 HOH 104 404 400 HOH HOH D . 
L 3 HOH 105 405 617 HOH HOH D . 
L 3 HOH 106 406 574 HOH HOH D . 
L 3 HOH 107 407 501 HOH HOH D . 
L 3 HOH 108 408 280 HOH HOH D . 
L 3 HOH 109 409 232 HOH HOH D . 
L 3 HOH 110 410 84  HOH HOH D . 
L 3 HOH 111 411 339 HOH HOH D . 
L 3 HOH 112 412 626 HOH HOH D . 
L 3 HOH 113 413 407 HOH HOH D . 
L 3 HOH 114 414 394 HOH HOH D . 
L 3 HOH 115 415 412 HOH HOH D . 
L 3 HOH 116 416 155 HOH HOH D . 
L 3 HOH 117 417 516 HOH HOH D . 
L 3 HOH 118 418 127 HOH HOH D . 
L 3 HOH 119 419 143 HOH HOH D . 
L 3 HOH 120 420 462 HOH HOH D . 
L 3 HOH 121 421 388 HOH HOH D . 
L 3 HOH 122 422 593 HOH HOH D . 
L 3 HOH 123 423 356 HOH HOH D . 
L 3 HOH 124 424 369 HOH HOH D . 
L 3 HOH 125 425 502 HOH HOH D . 
L 3 HOH 126 426 282 HOH HOH D . 
L 3 HOH 127 427 582 HOH HOH D . 
L 3 HOH 128 428 586 HOH HOH D . 
L 3 HOH 129 429 418 HOH HOH D . 
L 3 HOH 130 430 90  HOH HOH D . 
L 3 HOH 131 431 309 HOH HOH D . 
L 3 HOH 132 432 552 HOH HOH D . 
L 3 HOH 133 433 246 HOH HOH D . 
L 3 HOH 134 434 181 HOH HOH D . 
L 3 HOH 135 435 334 HOH HOH D . 
L 3 HOH 136 436 509 HOH HOH D . 
L 3 HOH 137 437 606 HOH HOH D . 
L 3 HOH 138 438 560 HOH HOH D . 
L 3 HOH 139 439 503 HOH HOH D . 
L 3 HOH 140 440 387 HOH HOH D . 
L 3 HOH 141 441 460 HOH HOH D . 
L 3 HOH 142 442 361 HOH HOH D . 
L 3 HOH 143 443 546 HOH HOH D . 
L 3 HOH 144 444 506 HOH HOH D . 
L 3 HOH 145 445 106 HOH HOH D . 
L 3 HOH 146 446 555 HOH HOH D . 
L 3 HOH 147 447 471 HOH HOH D . 
L 3 HOH 148 448 543 HOH HOH D . 
L 3 HOH 149 449 218 HOH HOH D . 
L 3 HOH 150 450 450 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                     8Y2A 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     47.200 
_cell.length_a_esd                 ? 
_cell.length_b                     85.842 
_cell.length_b_esd                 ? 
_cell.length_c                     58.371 
_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                         8Y2A 
_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                   8Y2A 
_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             2.30 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          46.53 
_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         2018-02-08 
_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                                       8Y2A 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.34 
_reflns.d_resolution_low                               47.84 
_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                                     101487 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           98.8 
_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                          11.9 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.34 
_reflns_shell.d_res_low                                     1.36 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             4973 
_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                                  0.738 
_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                                 8Y2A 
_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                            1.34 
_refine.ls_d_res_low                             46.60 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     101195 
_refine.ls_number_reflns_R_free                  4978 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.41 
_refine.ls_percent_reflns_R_free                 4.92 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1467 
_refine.ls_R_factor_R_free                       0.1839 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1447 
_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                          1.38 
_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                 22.70 
_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                            0.12 
_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                       1.34 
_refine_hist.d_res_low                        46.60 
_refine_hist.number_atoms_solvent             628 
_refine_hist.number_atoms_total               4265 
_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        3557 
_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' ? 0.004  ? 3860 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.793  ? 5306 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 12.754 ? 1300 ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.081  ? 580  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.005  ? 668  ? 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' 1.34 1.36  . . 144 3198 97.00  . . . . 0.2166 . . . . . . . . . . . 0.3080 
'X-RAY DIFFRACTION' 1.36 1.37  . . 155 3136 98.00  . . . . 0.1873 . . . . . . . . . . . 0.2305 
'X-RAY DIFFRACTION' 1.37 1.39  . . 171 3166 97.00  . . . . 0.1794 . . . . . . . . . . . 0.2271 
'X-RAY DIFFRACTION' 1.39 1.41  . . 162 3121 97.00  . . . . 0.1745 . . . . . . . . . . . 0.2174 
'X-RAY DIFFRACTION' 1.41 1.42  . . 172 3141 96.00  . . . . 0.1795 . . . . . . . . . . . 0.2155 
'X-RAY DIFFRACTION' 1.42 1.44  . . 154 3178 98.00  . . . . 0.1761 . . . . . . . . . . . 0.2297 
'X-RAY DIFFRACTION' 1.44 1.46  . . 164 3191 97.00  . . . . 0.1759 . . . . . . . . . . . 0.2183 
'X-RAY DIFFRACTION' 1.46 1.49  . . 159 3163 98.00  . . . . 0.1707 . . . . . . . . . . . 0.1958 
'X-RAY DIFFRACTION' 1.49 1.51  . . 161 3191 98.00  . . . . 0.1553 . . . . . . . . . . . 0.1921 
'X-RAY DIFFRACTION' 1.51 1.53  . . 181 3175 98.00  . . . . 0.1514 . . . . . . . . . . . 0.2109 
'X-RAY DIFFRACTION' 1.53 1.56  . . 170 3190 99.00  . . . . 0.1371 . . . . . . . . . . . 0.1810 
'X-RAY DIFFRACTION' 1.56 1.59  . . 167 3151 98.00  . . . . 0.1294 . . . . . . . . . . . 0.1950 
'X-RAY DIFFRACTION' 1.59 1.62  . . 149 3250 98.00  . . . . 0.1271 . . . . . . . . . . . 0.1625 
'X-RAY DIFFRACTION' 1.62 1.65  . . 170 3191 99.00  . . . . 0.1283 . . . . . . . . . . . 0.1696 
'X-RAY DIFFRACTION' 1.65 1.69  . . 174 3212 98.00  . . . . 0.1259 . . . . . . . . . . . 0.2034 
'X-RAY DIFFRACTION' 1.69 1.73  . . 181 3192 99.00  . . . . 0.1313 . . . . . . . . . . . 0.1740 
'X-RAY DIFFRACTION' 1.73 1.77  . . 184 3194 99.00  . . . . 0.1351 . . . . . . . . . . . 0.1909 
'X-RAY DIFFRACTION' 1.77 1.82  . . 164 3249 99.00  . . . . 0.1352 . . . . . . . . . . . 0.1844 
'X-RAY DIFFRACTION' 1.82 1.87  . . 173 3219 99.00  . . . . 0.1358 . . . . . . . . . . . 0.1900 
'X-RAY DIFFRACTION' 1.87 1.93  . . 147 3254 99.00  . . . . 0.1334 . . . . . . . . . . . 0.1893 
'X-RAY DIFFRACTION' 1.93 2.00  . . 137 3278 99.00  . . . . 0.1365 . . . . . . . . . . . 0.2017 
'X-RAY DIFFRACTION' 2.00 2.08  . . 157 3243 99.00  . . . . 0.1389 . . . . . . . . . . . 0.1742 
'X-RAY DIFFRACTION' 2.08 2.18  . . 156 3271 100.00 . . . . 0.1358 . . . . . . . . . . . 0.1598 
'X-RAY DIFFRACTION' 2.18 2.29  . . 152 3251 100.00 . . . . 0.1403 . . . . . . . . . . . 0.1779 
'X-RAY DIFFRACTION' 2.29 2.43  . . 199 3240 100.00 . . . . 0.1496 . . . . . . . . . . . 0.1978 
'X-RAY DIFFRACTION' 2.43 2.62  . . 175 3261 100.00 . . . . 0.1540 . . . . . . . . . . . 0.2044 
'X-RAY DIFFRACTION' 2.62 2.89  . . 179 3263 100.00 . . . . 0.1527 . . . . . . . . . . . 0.1735 
'X-RAY DIFFRACTION' 2.89 3.30  . . 160 3276 100.00 . . . . 0.1439 . . . . . . . . . . . 0.1821 
'X-RAY DIFFRACTION' 3.30 4.16  . . 189 3232 99.00  . . . . 0.1312 . . . . . . . . . . . 0.1602 
'X-RAY DIFFRACTION' 4.16 46.60 . . 172 3140 94.00  . . . . 0.1531 . . . . . . . . . . . 0.1768 
# 
_struct.entry_id                     8Y2A 
_struct.title                        
'X-ray crystal structure of ALiS2-Streptavidine complex with 10% glycerol 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        8Y2A 
_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 8Y2A A 1 ? 121 ? P22629 39 ? 159 ? 15 135 
2 1 8Y2A B 1 ? 121 ? P22629 39 ? 159 ? 15 135 
3 1 8Y2A C 1 ? 121 ? P22629 39 ? 159 ? 15 135 
4 1 8Y2A 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 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 9030  ? 
1 MORE         -53   ? 
1 'SSA (A^2)'  19300 ? 
# 
_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]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 THR A 101 ? LYS A 107 ? THR A 115 LYS A 121 5 ? 7 
HELX_P HELX_P2 AA2 THR B 101 ? LYS B 107 ? THR B 115 LYS B 121 5 ? 7 
HELX_P HELX_P3 AA3 THR C 101 ? LYS C 107 ? THR C 115 LYS C 121 5 ? 7 
HELX_P HELX_P4 AA4 ASN D 35  ? ARG D 39  ? ASN D 49  ARG D 53  5 ? 5 
HELX_P HELX_P5 AA5 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   ? ASN A 9   ? GLY A 19  ASN A 23  
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   ? ASN A 9   ? GLY A 19  ASN A 23  
AA2 1 GLY B 5   ? ASN B 9   ? GLY B 19  ASN B 23  
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 TYR B 40  ? TYR B 46  ? TYR B 54  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   ? ASN B 9   ? GLY B 19  ASN B 23  
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 ILE A 16  ? N ILE A 30  O THR A 28  ? O THR A 42  
AA1 3 4 N LEU A 25  ? N LEU A 39  O GLY A 44  ? O GLY A 58  
AA1 4 5 N THR A 43  ? N THR A 57  O THR A 62  ? O THR A 76  
AA1 5 6 N TRP A 65  ? N TRP A 79  O SER A 74  ? O SER A 88  
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 ILE B 16  ? N ILE B 30  O THR B 28  ? O THR B 42  
AA2 3 4 N LEU B 25  ? N LEU B 39  O GLY B 44  ? O GLY B 58  
AA2 4 5 N ARG B 45  ? N ARG B 59  O GLY B 60  ? O GLY B 74  
AA2 5 6 N TRP B 61  ? N TRP B 75  O TRP B 78  ? O TRP B 92  
AA2 6 7 N VAL B 83  ? N VAL B 97  O ARG B 89  ? O ARG B 103 
AA2 7 8 N ILE B 90  ? N ILE B 104 O PHE B 116 ? O PHE B 130 
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 ILE D 90  ? N ILE D 104 O PHE D 116 ? O PHE D 130 
AA4 8 9 O THR D 117 ? O THR D 131 N TYR D 8   ? N TYR D 22  
# 
_pdbx_entry_details.entry_id                   8Y2A 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_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    394 
_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    428 
_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  ? ? 64.49   -160.45 
2 1 SER C 52  ? ? 66.36   -162.91 
3 1 GLU D 101 ? ? -116.18 59.93   
# 
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 485 ? 6.07 . 
2 1 O ? A HOH 486 ? 6.18 . 
3 1 O ? B HOH 433 ? 5.93 . 
4 1 O ? B HOH 434 ? 6.08 . 
5 1 O ? B HOH 435 ? 6.46 . 
6 1 O ? C HOH 456 ? 6.88 . 
7 1 O ? C HOH 457 ? 7.10 . 
# 
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 B ALA 15  ? B ALA 1   
2 1 Y 1 B ASN 49  ? B ASN 35  
3 1 Y 1 B ALA 50  ? B ALA 36  
4 1 Y 1 B GLU 51  ? B GLU 37  
5 1 Y 1 B SER 52  ? B SER 38  
6 1 Y 1 B PRO 135 ? B PRO 121 
7 1 Y 1 C ALA 15  ? C ALA 1   
8 1 Y 1 D ALA 15  ? D ALA 1   
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 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
GLN N    N N N 74  
GLN CA   C N S 75  
GLN C    C N N 76  
GLN O    O N N 77  
GLN CB   C N N 78  
GLN CG   C N N 79  
GLN CD   C N N 80  
GLN OE1  O N N 81  
GLN NE2  N N N 82  
GLN OXT  O N N 83  
GLN H    H N N 84  
GLN H2   H N N 85  
GLN HA   H N N 86  
GLN HB2  H N N 87  
GLN HB3  H N N 88  
GLN HG2  H N N 89  
GLN HG3  H N N 90  
GLN HE21 H N N 91  
GLN HE22 H N N 92  
GLN HXT  H N N 93  
GLU N    N N N 94  
GLU CA   C N S 95  
GLU C    C N N 96  
GLU O    O N N 97  
GLU CB   C N N 98  
GLU CG   C N N 99  
GLU CD   C N N 100 
GLU OE1  O N N 101 
GLU OE2  O N N 102 
GLU OXT  O N N 103 
GLU H    H N N 104 
GLU H2   H N N 105 
GLU HA   H N N 106 
GLU HB2  H N N 107 
GLU HB3  H N N 108 
GLU HG2  H N N 109 
GLU HG3  H N N 110 
GLU HE2  H N N 111 
GLU HXT  H N N 112 
GLY N    N N N 113 
GLY CA   C N N 114 
GLY C    C N N 115 
GLY O    O N N 116 
GLY OXT  O N N 117 
GLY H    H N N 118 
GLY H2   H N N 119 
GLY HA2  H N N 120 
GLY HA3  H N N 121 
GLY HXT  H N N 122 
HIS N    N N N 123 
HIS CA   C N S 124 
HIS C    C N N 125 
HIS O    O N N 126 
HIS CB   C N N 127 
HIS CG   C Y N 128 
HIS ND1  N Y N 129 
HIS CD2  C Y N 130 
HIS CE1  C Y N 131 
HIS NE2  N Y N 132 
HIS OXT  O N N 133 
HIS H    H N N 134 
HIS H2   H N N 135 
HIS HA   H N N 136 
HIS HB2  H N N 137 
HIS HB3  H N N 138 
HIS HD1  H N N 139 
HIS HD2  H N N 140 
HIS HE1  H N N 141 
HIS HE2  H N N 142 
HIS HXT  H N N 143 
HOH O    O N N 144 
HOH H1   H N N 145 
HOH H2   H N N 146 
ILE N    N N N 147 
ILE CA   C N S 148 
ILE C    C N N 149 
ILE O    O N N 150 
ILE CB   C N S 151 
ILE CG1  C N N 152 
ILE CG2  C N N 153 
ILE CD1  C N N 154 
ILE OXT  O N N 155 
ILE H    H N N 156 
ILE H2   H N N 157 
ILE HA   H N N 158 
ILE HB   H N N 159 
ILE HG12 H N N 160 
ILE HG13 H N N 161 
ILE HG21 H N N 162 
ILE HG22 H N N 163 
ILE HG23 H N N 164 
ILE HD11 H N N 165 
ILE HD12 H N N 166 
ILE HD13 H N N 167 
ILE HXT  H N N 168 
LEU N    N N N 169 
LEU CA   C N S 170 
LEU C    C N N 171 
LEU O    O N N 172 
LEU CB   C N N 173 
LEU CG   C N N 174 
LEU CD1  C N N 175 
LEU CD2  C N N 176 
LEU OXT  O N N 177 
LEU H    H N N 178 
LEU H2   H N N 179 
LEU HA   H N N 180 
LEU HB2  H N N 181 
LEU HB3  H N N 182 
LEU HG   H N N 183 
LEU HD11 H N N 184 
LEU HD12 H N N 185 
LEU HD13 H N N 186 
LEU HD21 H N N 187 
LEU HD22 H N N 188 
LEU HD23 H N N 189 
LEU HXT  H N N 190 
LYS N    N N N 191 
LYS CA   C N S 192 
LYS C    C N N 193 
LYS O    O N N 194 
LYS CB   C N N 195 
LYS CG   C N N 196 
LYS CD   C N N 197 
LYS CE   C N N 198 
LYS NZ   N N N 199 
LYS OXT  O N N 200 
LYS H    H N N 201 
LYS H2   H N N 202 
LYS HA   H N N 203 
LYS HB2  H N N 204 
LYS HB3  H N N 205 
LYS HG2  H N N 206 
LYS HG3  H N N 207 
LYS HD2  H N N 208 
LYS HD3  H N N 209 
LYS HE2  H N N 210 
LYS HE3  H N N 211 
LYS HZ1  H N N 212 
LYS HZ2  H N N 213 
LYS HZ3  H N N 214 
LYS HXT  H N N 215 
MT6 C8   C Y N 216 
MT6 C7   C Y N 217 
MT6 C5   C Y N 218 
MT6 C6   C Y N 219 
MT6 N1   N N N 220 
MT6 C2   C N N 221 
MT6 C4   C Y N 222 
MT6 O3   O N N 223 
MT6 C14  C N N 224 
MT6 O4   O N N 225 
MT6 C15  C N N 226 
MT6 C9   C Y N 227 
MT6 C10  C Y N 228 
MT6 C13  C Y N 229 
MT6 C11  C Y N 230 
MT6 O2   O Y N 231 
MT6 C12  C Y N 232 
MT6 C1   C N N 233 
MT6 C3   C N N 234 
MT6 O1   O N N 235 
MT6 H1   H N N 236 
MT6 H2   H N N 237 
MT6 H3   H N N 238 
MT6 H4   H N N 239 
MT6 H5   H N N 240 
MT6 H6   H N N 241 
MT6 H7   H N N 242 
MT6 H8   H N N 243 
MT6 H9   H N N 244 
MT6 H10  H N N 245 
MT6 H11  H N N 246 
PHE N    N N N 247 
PHE CA   C N S 248 
PHE C    C N N 249 
PHE O    O N N 250 
PHE CB   C N N 251 
PHE CG   C Y N 252 
PHE CD1  C Y N 253 
PHE CD2  C Y N 254 
PHE CE1  C Y N 255 
PHE CE2  C Y N 256 
PHE CZ   C Y N 257 
PHE OXT  O N N 258 
PHE H    H N N 259 
PHE H2   H N N 260 
PHE HA   H N N 261 
PHE HB2  H N N 262 
PHE HB3  H N N 263 
PHE HD1  H N N 264 
PHE HD2  H N N 265 
PHE HE1  H N N 266 
PHE HE2  H N N 267 
PHE HZ   H N N 268 
PHE HXT  H N N 269 
PRO N    N N N 270 
PRO CA   C N S 271 
PRO C    C N N 272 
PRO O    O N N 273 
PRO CB   C N N 274 
PRO CG   C N N 275 
PRO CD   C N N 276 
PRO OXT  O N N 277 
PRO H    H N N 278 
PRO HA   H N N 279 
PRO HB2  H N N 280 
PRO HB3  H N N 281 
PRO HG2  H N N 282 
PRO HG3  H N N 283 
PRO HD2  H N N 284 
PRO HD3  H N N 285 
PRO HXT  H N N 286 
SER N    N N N 287 
SER CA   C N S 288 
SER C    C N N 289 
SER O    O N N 290 
SER CB   C N N 291 
SER OG   O N N 292 
SER OXT  O N N 293 
SER H    H N N 294 
SER H2   H N N 295 
SER HA   H N N 296 
SER HB2  H N N 297 
SER HB3  H N N 298 
SER HG   H N N 299 
SER HXT  H N N 300 
THR N    N N N 301 
THR CA   C N S 302 
THR C    C N N 303 
THR O    O N N 304 
THR CB   C N R 305 
THR OG1  O N N 306 
THR CG2  C N N 307 
THR OXT  O N N 308 
THR H    H N N 309 
THR H2   H N N 310 
THR HA   H N N 311 
THR HB   H N N 312 
THR HG1  H N N 313 
THR HG21 H N N 314 
THR HG22 H N N 315 
THR HG23 H N N 316 
THR HXT  H N N 317 
TRP N    N N N 318 
TRP CA   C N S 319 
TRP C    C N N 320 
TRP O    O N N 321 
TRP CB   C N N 322 
TRP CG   C Y N 323 
TRP CD1  C Y N 324 
TRP CD2  C Y N 325 
TRP NE1  N Y N 326 
TRP CE2  C Y N 327 
TRP CE3  C Y N 328 
TRP CZ2  C Y N 329 
TRP CZ3  C Y N 330 
TRP CH2  C Y N 331 
TRP OXT  O N N 332 
TRP H    H N N 333 
TRP H2   H N N 334 
TRP HA   H N N 335 
TRP HB2  H N N 336 
TRP HB3  H N N 337 
TRP HD1  H N N 338 
TRP HE1  H N N 339 
TRP HE3  H N N 340 
TRP HZ2  H N N 341 
TRP HZ3  H N N 342 
TRP HH2  H N N 343 
TRP HXT  H N N 344 
TYR N    N N N 345 
TYR CA   C N S 346 
TYR C    C N N 347 
TYR O    O N N 348 
TYR CB   C N N 349 
TYR CG   C Y N 350 
TYR CD1  C Y N 351 
TYR CD2  C Y N 352 
TYR CE1  C Y N 353 
TYR CE2  C Y N 354 
TYR CZ   C Y N 355 
TYR OH   O N N 356 
TYR OXT  O N N 357 
TYR H    H N N 358 
TYR H2   H N N 359 
TYR HA   H N N 360 
TYR HB2  H N N 361 
TYR HB3  H N N 362 
TYR HD1  H N N 363 
TYR HD2  H N N 364 
TYR HE1  H N N 365 
TYR HE2  H N N 366 
TYR HH   H N N 367 
TYR HXT  H N N 368 
VAL N    N N N 369 
VAL CA   C N S 370 
VAL C    C N N 371 
VAL O    O N N 372 
VAL CB   C N N 373 
VAL CG1  C N N 374 
VAL CG2  C N N 375 
VAL OXT  O N N 376 
VAL H    H N N 377 
VAL H2   H N N 378 
VAL HA   H N N 379 
VAL HB   H N N 380 
VAL HG11 H N N 381 
VAL HG12 H N N 382 
VAL HG13 H N N 383 
VAL HG21 H N N 384 
VAL HG22 H N N 385 
VAL HG23 H N N 386 
VAL HXT  H N N 387 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
GLN N   CA   sing N N 70  
GLN N   H    sing N N 71  
GLN N   H2   sing N N 72  
GLN CA  C    sing N N 73  
GLN CA  CB   sing N N 74  
GLN CA  HA   sing N N 75  
GLN C   O    doub N N 76  
GLN C   OXT  sing N N 77  
GLN CB  CG   sing N N 78  
GLN CB  HB2  sing N N 79  
GLN CB  HB3  sing N N 80  
GLN CG  CD   sing N N 81  
GLN CG  HG2  sing N N 82  
GLN CG  HG3  sing N N 83  
GLN CD  OE1  doub N N 84  
GLN CD  NE2  sing N N 85  
GLN NE2 HE21 sing N N 86  
GLN NE2 HE22 sing N N 87  
GLN OXT HXT  sing N N 88  
GLU N   CA   sing N N 89  
GLU N   H    sing N N 90  
GLU N   H2   sing N N 91  
GLU CA  C    sing N N 92  
GLU CA  CB   sing N N 93  
GLU CA  HA   sing N N 94  
GLU C   O    doub N N 95  
GLU C   OXT  sing N N 96  
GLU CB  CG   sing N N 97  
GLU CB  HB2  sing N N 98  
GLU CB  HB3  sing N N 99  
GLU CG  CD   sing N N 100 
GLU CG  HG2  sing N N 101 
GLU CG  HG3  sing N N 102 
GLU CD  OE1  doub N N 103 
GLU CD  OE2  sing N N 104 
GLU OE2 HE2  sing N N 105 
GLU OXT HXT  sing N N 106 
GLY N   CA   sing N N 107 
GLY N   H    sing N N 108 
GLY N   H2   sing N N 109 
GLY CA  C    sing N N 110 
GLY CA  HA2  sing N N 111 
GLY CA  HA3  sing N N 112 
GLY C   O    doub N N 113 
GLY C   OXT  sing N N 114 
GLY OXT HXT  sing N N 115 
HIS N   CA   sing N N 116 
HIS N   H    sing N N 117 
HIS N   H2   sing N N 118 
HIS CA  C    sing N N 119 
HIS CA  CB   sing N N 120 
HIS CA  HA   sing N N 121 
HIS C   O    doub N N 122 
HIS C   OXT  sing N N 123 
HIS CB  CG   sing N N 124 
HIS CB  HB2  sing N N 125 
HIS CB  HB3  sing N N 126 
HIS CG  ND1  sing Y N 127 
HIS CG  CD2  doub Y N 128 
HIS ND1 CE1  doub Y N 129 
HIS ND1 HD1  sing N N 130 
HIS CD2 NE2  sing Y N 131 
HIS CD2 HD2  sing N N 132 
HIS CE1 NE2  sing Y N 133 
HIS CE1 HE1  sing N N 134 
HIS NE2 HE2  sing N N 135 
HIS OXT HXT  sing N N 136 
HOH O   H1   sing N N 137 
HOH O   H2   sing N N 138 
ILE N   CA   sing N N 139 
ILE N   H    sing N N 140 
ILE N   H2   sing N N 141 
ILE CA  C    sing N N 142 
ILE CA  CB   sing N N 143 
ILE CA  HA   sing N N 144 
ILE C   O    doub N N 145 
ILE C   OXT  sing N N 146 
ILE CB  CG1  sing N N 147 
ILE CB  CG2  sing N N 148 
ILE CB  HB   sing N N 149 
ILE CG1 CD1  sing N N 150 
ILE CG1 HG12 sing N N 151 
ILE CG1 HG13 sing N N 152 
ILE CG2 HG21 sing N N 153 
ILE CG2 HG22 sing N N 154 
ILE CG2 HG23 sing N N 155 
ILE CD1 HD11 sing N N 156 
ILE CD1 HD12 sing N N 157 
ILE CD1 HD13 sing N N 158 
ILE OXT HXT  sing N N 159 
LEU N   CA   sing N N 160 
LEU N   H    sing N N 161 
LEU N   H2   sing N N 162 
LEU CA  C    sing N N 163 
LEU CA  CB   sing N N 164 
LEU CA  HA   sing N N 165 
LEU C   O    doub N N 166 
LEU C   OXT  sing N N 167 
LEU CB  CG   sing N N 168 
LEU CB  HB2  sing N N 169 
LEU CB  HB3  sing N N 170 
LEU CG  CD1  sing N N 171 
LEU CG  CD2  sing N N 172 
LEU CG  HG   sing N N 173 
LEU CD1 HD11 sing N N 174 
LEU CD1 HD12 sing N N 175 
LEU CD1 HD13 sing N N 176 
LEU CD2 HD21 sing N N 177 
LEU CD2 HD22 sing N N 178 
LEU CD2 HD23 sing N N 179 
LEU OXT HXT  sing N N 180 
LYS N   CA   sing N N 181 
LYS N   H    sing N N 182 
LYS N   H2   sing N N 183 
LYS CA  C    sing N N 184 
LYS CA  CB   sing N N 185 
LYS CA  HA   sing N N 186 
LYS C   O    doub N N 187 
LYS C   OXT  sing N N 188 
LYS CB  CG   sing N N 189 
LYS CB  HB2  sing N N 190 
LYS CB  HB3  sing N N 191 
LYS CG  CD   sing N N 192 
LYS CG  HG2  sing N N 193 
LYS CG  HG3  sing N N 194 
LYS CD  CE   sing N N 195 
LYS CD  HD2  sing N N 196 
LYS CD  HD3  sing N N 197 
LYS CE  NZ   sing N N 198 
LYS CE  HE2  sing N N 199 
LYS CE  HE3  sing N N 200 
LYS NZ  HZ1  sing N N 201 
LYS NZ  HZ2  sing N N 202 
LYS NZ  HZ3  sing N N 203 
LYS OXT HXT  sing N N 204 
MT6 C13 C10  doub Y N 205 
MT6 C13 C11  sing Y N 206 
MT6 C10 C9   sing Y N 207 
MT6 O4  C14  sing N N 208 
MT6 O4  C15  sing N N 209 
MT6 C11 C7   doub Y N 210 
MT6 C9  C14  sing N N 211 
MT6 C9  C8   doub Y N 212 
MT6 C14 O3   doub N N 213 
MT6 C7  C8   sing Y N 214 
MT6 C7  C6   sing N N 215 
MT6 C6  C5   doub Y N 216 
MT6 C6  O2   sing Y N 217 
MT6 C5  C4   sing Y N 218 
MT6 O2  C12  sing Y N 219 
MT6 C4  C12  doub Y N 220 
MT6 C4  C3   sing N N 221 
MT6 O1  C3   doub N N 222 
MT6 C12 C1   sing N N 223 
MT6 C3  N1   sing N N 224 
MT6 N1  C2   sing N N 225 
MT6 C1  C2   doub N N 226 
MT6 C8  H1   sing N N 227 
MT6 C5  H2   sing N N 228 
MT6 N1  H3   sing N N 229 
MT6 C2  H4   sing N N 230 
MT6 C15 H5   sing N N 231 
MT6 C15 H6   sing N N 232 
MT6 C15 H7   sing N N 233 
MT6 C10 H8   sing N N 234 
MT6 C13 H9   sing N N 235 
MT6 C11 H10  sing N N 236 
MT6 C1  H11  sing N N 237 
PHE N   CA   sing N N 238 
PHE N   H    sing N N 239 
PHE N   H2   sing N N 240 
PHE CA  C    sing N N 241 
PHE CA  CB   sing N N 242 
PHE CA  HA   sing N N 243 
PHE C   O    doub N N 244 
PHE C   OXT  sing N N 245 
PHE CB  CG   sing N N 246 
PHE CB  HB2  sing N N 247 
PHE CB  HB3  sing N N 248 
PHE CG  CD1  doub Y N 249 
PHE CG  CD2  sing Y N 250 
PHE CD1 CE1  sing Y N 251 
PHE CD1 HD1  sing N N 252 
PHE CD2 CE2  doub Y N 253 
PHE CD2 HD2  sing N N 254 
PHE CE1 CZ   doub Y N 255 
PHE CE1 HE1  sing N N 256 
PHE CE2 CZ   sing Y N 257 
PHE CE2 HE2  sing N N 258 
PHE CZ  HZ   sing N N 259 
PHE OXT HXT  sing N N 260 
PRO N   CA   sing N N 261 
PRO N   CD   sing N N 262 
PRO N   H    sing N N 263 
PRO CA  C    sing N N 264 
PRO CA  CB   sing N N 265 
PRO CA  HA   sing N N 266 
PRO C   O    doub N N 267 
PRO C   OXT  sing N N 268 
PRO CB  CG   sing N N 269 
PRO CB  HB2  sing N N 270 
PRO CB  HB3  sing N N 271 
PRO CG  CD   sing N N 272 
PRO CG  HG2  sing N N 273 
PRO CG  HG3  sing N N 274 
PRO CD  HD2  sing N N 275 
PRO CD  HD3  sing N N 276 
PRO OXT HXT  sing N N 277 
SER N   CA   sing N N 278 
SER N   H    sing N N 279 
SER N   H2   sing N N 280 
SER CA  C    sing N N 281 
SER CA  CB   sing N N 282 
SER CA  HA   sing N N 283 
SER C   O    doub N N 284 
SER C   OXT  sing N N 285 
SER CB  OG   sing N N 286 
SER CB  HB2  sing N N 287 
SER CB  HB3  sing N N 288 
SER OG  HG   sing N N 289 
SER OXT HXT  sing N N 290 
THR N   CA   sing N N 291 
THR N   H    sing N N 292 
THR N   H2   sing N N 293 
THR CA  C    sing N N 294 
THR CA  CB   sing N N 295 
THR CA  HA   sing N N 296 
THR C   O    doub N N 297 
THR C   OXT  sing N N 298 
THR CB  OG1  sing N N 299 
THR CB  CG2  sing N N 300 
THR CB  HB   sing N N 301 
THR OG1 HG1  sing N N 302 
THR CG2 HG21 sing N N 303 
THR CG2 HG22 sing N N 304 
THR CG2 HG23 sing N N 305 
THR OXT HXT  sing N N 306 
TRP N   CA   sing N N 307 
TRP N   H    sing N N 308 
TRP N   H2   sing N N 309 
TRP CA  C    sing N N 310 
TRP CA  CB   sing N N 311 
TRP CA  HA   sing N N 312 
TRP C   O    doub N N 313 
TRP C   OXT  sing N N 314 
TRP CB  CG   sing N N 315 
TRP CB  HB2  sing N N 316 
TRP CB  HB3  sing N N 317 
TRP CG  CD1  doub Y N 318 
TRP CG  CD2  sing Y N 319 
TRP CD1 NE1  sing Y N 320 
TRP CD1 HD1  sing N N 321 
TRP CD2 CE2  doub Y N 322 
TRP CD2 CE3  sing Y N 323 
TRP NE1 CE2  sing Y N 324 
TRP NE1 HE1  sing N N 325 
TRP CE2 CZ2  sing Y N 326 
TRP CE3 CZ3  doub Y N 327 
TRP CE3 HE3  sing N N 328 
TRP CZ2 CH2  doub Y N 329 
TRP CZ2 HZ2  sing N N 330 
TRP CZ3 CH2  sing Y N 331 
TRP CZ3 HZ3  sing N N 332 
TRP CH2 HH2  sing N N 333 
TRP OXT HXT  sing N N 334 
TYR N   CA   sing N N 335 
TYR N   H    sing N N 336 
TYR N   H2   sing N N 337 
TYR CA  C    sing N N 338 
TYR CA  CB   sing N N 339 
TYR CA  HA   sing N N 340 
TYR C   O    doub N N 341 
TYR C   OXT  sing N N 342 
TYR CB  CG   sing N N 343 
TYR CB  HB2  sing N N 344 
TYR CB  HB3  sing N N 345 
TYR CG  CD1  doub Y N 346 
TYR CG  CD2  sing Y N 347 
TYR CD1 CE1  sing Y N 348 
TYR CD1 HD1  sing N N 349 
TYR CD2 CE2  doub Y N 350 
TYR CD2 HD2  sing N N 351 
TYR CE1 CZ   doub Y N 352 
TYR CE1 HE1  sing N N 353 
TYR CE2 CZ   sing Y N 354 
TYR CE2 HE2  sing N N 355 
TYR CZ  OH   sing N N 356 
TYR OH  HH   sing N N 357 
TYR OXT HXT  sing N N 358 
VAL N   CA   sing N N 359 
VAL N   H    sing N N 360 
VAL N   H2   sing N N 361 
VAL CA  C    sing N N 362 
VAL CA  CB   sing N N 363 
VAL CA  HA   sing N N 364 
VAL C   O    doub N N 365 
VAL C   OXT  sing N N 366 
VAL CB  CG1  sing N N 367 
VAL CB  CG2  sing N N 368 
VAL CB  HB   sing N N 369 
VAL CG1 HG11 sing N N 370 
VAL CG1 HG12 sing N N 371 
VAL CG1 HG13 sing N N 372 
VAL CG2 HG21 sing N N 373 
VAL CG2 HG22 sing N N 374 
VAL CG2 HG23 sing N N 375 
VAL OXT HXT  sing N N 376 
# 
_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                    8Y2A 
_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]   0.021186 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.003420 
_atom_sites.fract_transf_matrix[2][1]   0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.011649 
_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]   0.017354 
_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   . ALA A 1 1   ? 6.969   -31.188 14.506  1.00 36.97 ? 15  ALA A N   1 
ATOM   2    C CA  . ALA A 1 1   ? 7.872   -30.109 14.893  1.00 35.83 ? 15  ALA A CA  1 
ATOM   3    C C   . ALA A 1 1   ? 8.355   -29.353 13.664  1.00 34.24 ? 15  ALA A C   1 
ATOM   4    O O   . ALA A 1 1   ? 8.757   -29.962 12.674  1.00 36.04 ? 15  ALA A O   1 
ATOM   5    C CB  . ALA A 1 1   ? 9.054   -30.659 15.668  1.00 36.34 ? 15  ALA A CB  1 
ATOM   6    N N   . GLY A 1 2   ? 8.317   -28.026 13.736  1.00 31.07 ? 16  GLY A N   1 
ATOM   7    C CA  . GLY A 1 2   ? 8.739   -27.164 12.654  1.00 26.47 ? 16  GLY A CA  1 
ATOM   8    C C   . GLY A 1 2   ? 7.739   -26.059 12.399  1.00 22.85 ? 16  GLY A C   1 
ATOM   9    O O   . GLY A 1 2   ? 6.673   -25.988 13.010  1.00 21.59 ? 16  GLY A O   1 
ATOM   10   N N   . ILE A 1 3   ? 8.101   -25.185 11.456  1.00 20.86 ? 17  ILE A N   1 
ATOM   11   C CA  . ILE A 1 3   ? 7.272   -24.025 11.139  1.00 19.72 ? 17  ILE A CA  1 
ATOM   12   C C   . ILE A 1 3   ? 5.965   -24.443 10.474  1.00 18.53 ? 17  ILE A C   1 
ATOM   13   O O   . ILE A 1 3   ? 4.907   -23.871 10.750  1.00 19.26 ? 17  ILE A O   1 
ATOM   14   C CB  . ILE A 1 3   ? 8.069   -23.022 10.285  1.00 20.08 ? 17  ILE A CB  1 
ATOM   15   C CG1 . ILE A 1 3   ? 9.191   -22.390 11.115  1.00 20.07 ? 17  ILE A CG1 1 
ATOM   16   C CG2 . ILE A 1 3   ? 7.151   -21.950 9.680   1.00 20.00 ? 17  ILE A CG2 1 
ATOM   17   C CD1 . ILE A 1 3   ? 10.186  -21.599 10.301  1.00 20.53 ? 17  ILE A CD1 1 
ATOM   18   N N   . THR A 1 4   ? 6.013   -25.427 9.576   1.00 18.30 ? 18  THR A N   1 
ATOM   19   C CA  . THR A 1 4   ? 4.803   -25.861 8.888   1.00 18.09 ? 18  THR A CA  1 
ATOM   20   C C   . THR A 1 4   ? 3.739   -26.299 9.890   1.00 17.95 ? 18  THR A C   1 
ATOM   21   O O   . THR A 1 4   ? 4.012   -27.096 10.794  1.00 19.40 ? 18  THR A O   1 
ATOM   22   C CB  . THR A 1 4   ? 5.143   -27.031 7.965   1.00 18.32 ? 18  THR A CB  1 
ATOM   23   O OG1 . THR A 1 4   ? 6.059   -26.592 6.949   1.00 19.13 ? 18  THR A OG1 1 
ATOM   24   C CG2 . THR A 1 4   ? 3.879   -27.586 7.322   1.00 19.43 ? 18  THR A CG2 1 
ATOM   25   N N   . GLY A 1 5   ? 2.527   -25.782 9.728   1.00 17.45 ? 19  GLY A N   1 
ATOM   26   C CA  . GLY A 1 5   ? 1.415   -26.150 10.582  1.00 17.09 ? 19  GLY A CA  1 
ATOM   27   C C   . GLY A 1 5   ? 0.386   -25.035 10.656  1.00 16.24 ? 19  GLY A C   1 
ATOM   28   O O   . GLY A 1 5   ? 0.430   -24.068 9.905   1.00 17.20 ? 19  GLY A O   1 
ATOM   29   N N   . THR A 1 6   ? -0.560  -25.206 11.576  1.00 17.12 ? 20  THR A N   1 
ATOM   30   C CA  . THR A 1 6   ? -1.602  -24.225 11.851  1.00 18.16 ? 20  THR A CA  1 
ATOM   31   C C   . THR A 1 6   ? -1.299  -23.556 13.183  1.00 17.32 ? 20  THR A C   1 
ATOM   32   O O   . THR A 1 6   ? -1.117  -24.241 14.199  1.00 18.69 ? 20  THR A O   1 
ATOM   33   C CB  . THR A 1 6   ? -2.976  -24.905 11.890  1.00 19.91 ? 20  THR A CB  1 
ATOM   34   O OG1 . THR A 1 6   ? -3.308  -25.369 10.576  1.00 20.68 ? 20  THR A OG1 1 
ATOM   35   C CG2 . THR A 1 6   ? -4.054  -23.938 12.355  1.00 20.58 ? 20  THR A CG2 1 
ATOM   36   N N   . TRP A 1 7   ? -1.243  -22.226 13.172  1.00 17.29 ? 21  TRP A N   1 
ATOM   37   C CA  . TRP A 1 7   ? -0.880  -21.423 14.329  1.00 16.67 ? 21  TRP A CA  1 
ATOM   38   C C   . TRP A 1 7   ? -2.005  -20.450 14.664  1.00 16.09 ? 21  TRP A C   1 
ATOM   39   O O   . TRP A 1 7   ? -2.800  -20.066 13.801  1.00 15.95 ? 21  TRP A O   1 
ATOM   40   C CB  . TRP A 1 7   ? 0.398   -20.620 14.048  1.00 16.63 ? 21  TRP A CB  1 
ATOM   41   C CG  . TRP A 1 7   ? 1.620   -21.445 13.724  1.00 16.38 ? 21  TRP A CG  1 
ATOM   42   C CD1 . TRP A 1 7   ? 1.933   -22.019 12.520  1.00 17.65 ? 21  TRP A CD1 1 
ATOM   43   C CD2 . TRP A 1 7   ? 2.705   -21.763 14.612  1.00 17.51 ? 21  TRP A CD2 1 
ATOM   44   N NE1 . TRP A 1 7   ? 3.137   -22.678 12.609  1.00 17.79 ? 21  TRP A NE1 1 
ATOM   45   C CE2 . TRP A 1 7   ? 3.631   -22.536 13.880  1.00 18.53 ? 21  TRP A CE2 1 
ATOM   46   C CE3 . TRP A 1 7   ? 2.979   -21.472 15.954  1.00 18.22 ? 21  TRP A CE3 1 
ATOM   47   C CZ2 . TRP A 1 7   ? 4.812   -23.017 14.442  1.00 19.58 ? 21  TRP A CZ2 1 
ATOM   48   C CZ3 . TRP A 1 7   ? 4.152   -21.956 16.512  1.00 19.08 ? 21  TRP A CZ3 1 
ATOM   49   C CH2 . TRP A 1 7   ? 5.051   -22.725 15.758  1.00 19.80 ? 21  TRP A CH2 1 
ATOM   50   N N   . TYR A 1 8   ? -2.050  -20.024 15.931  1.00 16.27 ? 22  TYR A N   1 
ATOM   51   C CA  . TYR A 1 8   ? -3.035  -19.058 16.399  1.00 16.78 ? 22  TYR A CA  1 
ATOM   52   C C   . TYR A 1 8   ? -2.320  -17.964 17.177  1.00 16.61 ? 22  TYR A C   1 
ATOM   53   O O   . TYR A 1 8   ? -1.409  -18.251 17.956  1.00 18.19 ? 22  TYR A O   1 
ATOM   54   C CB  . TYR A 1 8   ? -4.055  -19.727 17.336  1.00 19.56 ? 22  TYR A CB  1 
ATOM   55   C CG  . TYR A 1 8   ? -4.701  -20.951 16.735  1.00 21.21 ? 22  TYR A CG  1 
ATOM   56   C CD1 . TYR A 1 8   ? -5.846  -20.842 15.953  1.00 21.75 ? 22  TYR A CD1 1 
ATOM   57   C CD2 . TYR A 1 8   ? -4.168  -22.220 16.947  1.00 22.28 ? 22  TYR A CD2 1 
ATOM   58   C CE1 . TYR A 1 8   ? -6.436  -21.959 15.395  1.00 23.51 ? 22  TYR A CE1 1 
ATOM   59   C CE2 . TYR A 1 8   ? -4.745  -23.339 16.382  1.00 23.39 ? 22  TYR A CE2 1 
ATOM   60   C CZ  . TYR A 1 8   ? -5.883  -23.207 15.623  1.00 23.95 ? 22  TYR A CZ  1 
ATOM   61   O OH  . TYR A 1 8   ? -6.452  -24.327 15.072  1.00 26.28 ? 22  TYR A OH  1 
ATOM   62   N N   . ASN A 1 9   ? -2.713  -16.707 16.958  1.00 15.79 ? 23  ASN A N   1 
ATOM   63   C CA  . ASN A 1 9   ? -2.157  -15.630 17.769  1.00 16.20 ? 23  ASN A CA  1 
ATOM   64   C C   . ASN A 1 9   ? -3.025  -15.356 18.999  1.00 17.99 ? 23  ASN A C   1 
ATOM   65   O O   . ASN A 1 9   ? -4.046  -16.006 19.240  1.00 18.50 ? 23  ASN A O   1 
ATOM   66   C CB  . ASN A 1 9   ? -1.806  -14.382 16.941  1.00 17.23 ? 23  ASN A CB  1 
ATOM   67   C CG  . ASN A 1 9   ? -3.013  -13.524 16.586  1.00 17.46 ? 23  ASN A CG  1 
ATOM   68   O OD1 . ASN A 1 9   ? -4.151  -13.809 16.960  1.00 17.36 ? 23  ASN A OD1 1 
ATOM   69   N ND2 . ASN A 1 9   ? -2.754  -12.447 15.844  1.00 18.83 ? 23  ASN A ND2 1 
ATOM   70   N N   . GLN A 1 10  ? -2.606  -14.369 19.786  1.00 18.83 ? 24  GLN A N   1 
ATOM   71   C CA  . GLN A 1 10  ? -3.257  -14.083 21.054  1.00 19.77 ? 24  GLN A CA  1 
ATOM   72   C C   . GLN A 1 10  ? -4.657  -13.505 20.887  1.00 21.08 ? 24  GLN A C   1 
ATOM   73   O O   . GLN A 1 10  ? -5.432  -13.517 21.851  1.00 23.38 ? 24  GLN A O   1 
ATOM   74   C CB  . GLN A 1 10  ? -2.371  -13.161 21.906  1.00 19.91 ? 24  GLN A CB  1 
ATOM   75   C CG  . GLN A 1 10  ? -2.256  -11.697 21.420  1.00 19.43 ? 24  GLN A CG  1 
ATOM   76   C CD  . GLN A 1 10  ? -1.469  -11.489 20.105  1.00 20.29 ? 24  GLN A CD  1 
ATOM   77   O OE1 . GLN A 1 10  ? -0.764  -12.375 19.607  1.00 18.84 ? 24  GLN A OE1 1 
ATOM   78   N NE2 . GLN A 1 10  ? -1.594  -10.289 19.550  1.00 21.72 ? 24  GLN A NE2 1 
ATOM   79   N N   . LEU A 1 11  ? -5.004  -13.020 19.694  1.00 22.88 ? 25  LEU A N   1 
ATOM   80   C CA  . LEU A 1 11  ? -6.290  -12.379 19.454  1.00 25.15 ? 25  LEU A CA  1 
ATOM   81   C C   . LEU A 1 11  ? -7.240  -13.222 18.613  1.00 25.55 ? 25  LEU A C   1 
ATOM   82   O O   . LEU A 1 11  ? -8.274  -12.710 18.172  1.00 27.56 ? 25  LEU A O   1 
ATOM   83   C CB  . LEU A 1 11  ? -6.091  -11.004 18.821  1.00 27.66 ? 25  LEU A CB  1 
ATOM   84   C CG  . LEU A 1 11  ? -5.353  -10.000 19.709  1.00 28.33 ? 25  LEU A CG  1 
ATOM   85   C CD1 . LEU A 1 11  ? -5.315  -8.639  19.049  1.00 27.98 ? 25  LEU A CD1 1 
ATOM   86   C CD2 . LEU A 1 11  ? -5.985  -9.909  21.095  1.00 29.10 ? 25  LEU A CD2 1 
ATOM   87   N N   . GLY A 1 12  ? -6.920  -14.491 18.383  1.00 23.86 ? 26  GLY A N   1 
ATOM   88   C CA  . GLY A 1 12  ? -7.824  -15.389 17.695  1.00 23.09 ? 26  GLY A CA  1 
ATOM   89   C C   . GLY A 1 12  ? -7.622  -15.535 16.201  1.00 21.39 ? 26  GLY A C   1 
ATOM   90   O O   . GLY A 1 12  ? -8.438  -16.198 15.551  1.00 25.26 ? 26  GLY A O   1 
ATOM   91   N N   A SER A 1 13  ? -6.566  -14.952 15.636  0.74 18.28 ? 27  SER A N   1 
ATOM   92   N N   B SER A 1 13  ? -6.578  -14.937 15.638  0.26 18.92 ? 27  SER A N   1 
ATOM   93   C CA  A SER A 1 13  ? -6.291  -15.105 14.213  0.74 18.19 ? 27  SER A CA  1 
ATOM   94   C CA  B SER A 1 13  ? -6.298  -15.138 14.227  0.26 17.43 ? 27  SER A CA  1 
ATOM   95   C C   A SER A 1 13  ? -5.649  -16.464 13.929  0.74 17.62 ? 27  SER A C   1 
ATOM   96   C C   B SER A 1 13  ? -5.846  -16.575 13.984  0.26 16.65 ? 27  SER A C   1 
ATOM   97   O O   A SER A 1 13  ? -4.954  -17.031 14.778  0.74 18.16 ? 27  SER A O   1 
ATOM   98   O O   B SER A 1 13  ? -5.470  -17.303 14.906  0.26 15.75 ? 27  SER A O   1 
ATOM   99   C CB  A SER A 1 13  ? -5.371  -13.981 13.730  0.74 18.55 ? 27  SER A CB  1 
ATOM   100  C CB  B SER A 1 13  ? -5.198  -14.188 13.761  0.26 16.85 ? 27  SER A CB  1 
ATOM   101  O OG  A SER A 1 13  ? -5.968  -12.706 13.911  0.74 18.95 ? 27  SER A OG  1 
ATOM   102  O OG  B SER A 1 13  ? -3.922  -14.698 14.108  0.26 16.13 ? 27  SER A OG  1 
ATOM   103  N N   . THR A 1 14  ? -5.885  -16.980 12.717  1.00 16.89 ? 28  THR A N   1 
ATOM   104  C CA  . THR A 1 14  ? -5.434  -18.310 12.300  1.00 17.22 ? 28  THR A CA  1 
ATOM   105  C C   . THR A 1 14  ? -4.450  -18.194 11.143  1.00 16.32 ? 28  THR A C   1 
ATOM   106  O O   . THR A 1 14  ? -4.788  -17.646 10.087  1.00 16.93 ? 28  THR A O   1 
ATOM   107  C CB  . THR A 1 14  ? -6.611  -19.206 11.894  1.00 19.68 ? 28  THR A CB  1 
ATOM   108  O OG1 . THR A 1 14  ? -7.572  -19.252 12.953  1.00 21.41 ? 28  THR A OG1 1 
ATOM   109  C CG2 . THR A 1 14  ? -6.127  -20.614 11.618  1.00 19.83 ? 28  THR A CG2 1 
ATOM   110  N N   . PHE A 1 15  ? -3.258  -18.755 11.334  1.00 15.37 ? 29  PHE A N   1 
ATOM   111  C CA  . PHE A 1 15  ? -2.121  -18.654 10.416  1.00 15.55 ? 29  PHE A CA  1 
ATOM   112  C C   . PHE A 1 15  ? -1.780  -20.076 9.979   1.00 15.26 ? 29  PHE A C   1 
ATOM   113  O O   . PHE A 1 15  ? -1.283  -20.873 10.780  1.00 16.79 ? 29  PHE A O   1 
ATOM   114  C CB  . PHE A 1 15  ? -0.984  -17.970 11.193  1.00 15.30 ? 29  PHE A CB  1 
ATOM   115  C CG  . PHE A 1 15  ? 0.365   -17.955 10.521  1.00 16.17 ? 29  PHE A CG  1 
ATOM   116  C CD1 . PHE A 1 15  ? 0.515   -17.676 9.171   1.00 16.64 ? 29  PHE A CD1 1 
ATOM   117  C CD2 . PHE A 1 15  ? 1.509   -18.118 11.297  1.00 16.65 ? 29  PHE A CD2 1 
ATOM   118  C CE1 . PHE A 1 15  ? 1.783   -17.628 8.604   1.00 16.77 ? 29  PHE A CE1 1 
ATOM   119  C CE2 . PHE A 1 15  ? 2.769   -18.069 10.742  1.00 16.56 ? 29  PHE A CE2 1 
ATOM   120  C CZ  . PHE A 1 15  ? 2.910   -17.815 9.387   1.00 15.42 ? 29  PHE A CZ  1 
ATOM   121  N N   . ILE A 1 16  ? -2.084  -20.417 8.727   1.00 16.14 ? 30  ILE A N   1 
ATOM   122  C CA  . ILE A 1 16  ? -1.872  -21.764 8.201   1.00 17.22 ? 30  ILE A CA  1 
ATOM   123  C C   . ILE A 1 16  ? -0.723  -21.669 7.211   1.00 16.75 ? 30  ILE A C   1 
ATOM   124  O O   . ILE A 1 16  ? -0.859  -21.042 6.154   1.00 17.79 ? 30  ILE A O   1 
ATOM   125  C CB  . ILE A 1 16  ? -3.137  -22.320 7.535   1.00 17.59 ? 30  ILE A CB  1 
ATOM   126  C CG1 . ILE A 1 16  ? -4.298  -22.344 8.534   1.00 18.53 ? 30  ILE A CG1 1 
ATOM   127  C CG2 . ILE A 1 16  ? -2.875  -23.711 6.986   1.00 18.61 ? 30  ILE A CG2 1 
ATOM   128  C CD1 . ILE A 1 16  ? -5.628  -22.786 7.943   1.00 19.21 ? 30  ILE A CD1 1 
ATOM   129  N N   . VAL A 1 17  ? 0.417   -22.270 7.539   1.00 15.71 ? 31  VAL A N   1 
ATOM   130  C CA  . VAL A 1 17  ? 1.645   -21.994 6.800   1.00 15.00 ? 31  VAL A CA  1 
ATOM   131  C C   . VAL A 1 17  ? 2.350   -23.289 6.419   1.00 16.34 ? 31  VAL A C   1 
ATOM   132  O O   . VAL A 1 17  ? 2.282   -24.296 7.131   1.00 16.00 ? 31  VAL A O   1 
ATOM   133  C CB  . VAL A 1 17  ? 2.576   -21.065 7.620   1.00 15.32 ? 31  VAL A CB  1 
ATOM   134  C CG1 . VAL A 1 17  ? 3.116   -21.803 8.856   1.00 16.77 ? 31  VAL A CG1 1 
ATOM   135  C CG2 . VAL A 1 17  ? 3.700   -20.514 6.760   1.00 15.69 ? 31  VAL A CG2 1 
ATOM   136  N N   . THR A 1 18  ? 3.029   -23.252 5.274   1.00 16.45 ? 32  THR A N   1 
ATOM   137  C CA  . THR A 1 18  ? 3.919   -24.316 4.830   1.00 17.51 ? 32  THR A CA  1 
ATOM   138  C C   . THR A 1 18  ? 5.297   -23.715 4.592   1.00 16.54 ? 32  THR A C   1 
ATOM   139  O O   . THR A 1 18  ? 5.422   -22.689 3.911   1.00 16.82 ? 32  THR A O   1 
ATOM   140  C CB  . THR A 1 18  ? 3.402   -24.975 3.549   1.00 18.99 ? 32  THR A CB  1 
ATOM   141  O OG1 . THR A 1 18  ? 2.098   -25.523 3.788   1.00 19.97 ? 32  THR A OG1 1 
ATOM   142  C CG2 . THR A 1 18  ? 4.342   -26.089 3.127   1.00 18.63 ? 32  THR A CG2 1 
ATOM   143  N N   . ALA A 1 19  ? 6.321   -24.330 5.191   1.00 17.62 ? 33  ALA A N   1 
ATOM   144  C CA  . ALA A 1 19  ? 7.709   -23.908 5.038   1.00 19.31 ? 33  ALA A CA  1 
ATOM   145  C C   . ALA A 1 19  ? 8.393   -24.853 4.052   1.00 20.53 ? 33  ALA A C   1 
ATOM   146  O O   . ALA A 1 19  ? 8.662   -26.013 4.380   1.00 23.58 ? 33  ALA A O   1 
ATOM   147  C CB  . ALA A 1 19  ? 8.420   -23.924 6.390   1.00 19.63 ? 33  ALA A CB  1 
ATOM   148  N N   . GLY A 1 20  ? 8.676   -24.357 2.840   1.00 19.32 ? 34  GLY A N   1 
ATOM   149  C CA  . GLY A 1 20  ? 9.262   -25.199 1.813   1.00 21.31 ? 34  GLY A CA  1 
ATOM   150  C C   . GLY A 1 20  ? 10.773  -25.306 1.933   1.00 22.94 ? 34  GLY A C   1 
ATOM   151  O O   . GLY A 1 20  ? 11.433  -24.490 2.578   1.00 23.18 ? 34  GLY A O   1 
ATOM   152  N N   . ALA A 1 21  ? 11.328  -26.335 1.284   1.00 24.33 ? 35  ALA A N   1 
ATOM   153  C CA  . ALA A 1 21  ? 12.766  -26.580 1.366   1.00 26.00 ? 35  ALA A CA  1 
ATOM   154  C C   . ALA A 1 21  ? 13.594  -25.420 0.823   1.00 27.10 ? 35  ALA A C   1 
ATOM   155  O O   . ALA A 1 21  ? 14.753  -25.262 1.223   1.00 28.76 ? 35  ALA A O   1 
ATOM   156  C CB  . ALA A 1 21  ? 13.126  -27.876 0.634   1.00 26.58 ? 35  ALA A CB  1 
ATOM   157  N N   . ASP A 1 22  ? 13.030  -24.605 -0.065  1.00 26.19 ? 36  ASP A N   1 
ATOM   158  C CA  . ASP A 1 22  ? 13.748  -23.503 -0.691  1.00 25.97 ? 36  ASP A CA  1 
ATOM   159  C C   . ASP A 1 22  ? 13.697  -22.204 0.117   1.00 23.39 ? 36  ASP A C   1 
ATOM   160  O O   . ASP A 1 22  ? 14.176  -21.174 -0.369  1.00 24.14 ? 36  ASP A O   1 
ATOM   161  C CB  . ASP A 1 22  ? 13.197  -23.249 -2.095  1.00 26.57 ? 36  ASP A CB  1 
ATOM   162  C CG  . ASP A 1 22  ? 11.723  -22.884 -2.083  1.00 27.27 ? 36  ASP A CG  1 
ATOM   163  O OD1 . ASP A 1 22  ? 11.073  -23.048 -1.024  1.00 25.70 ? 36  ASP A OD1 1 
ATOM   164  O OD2 . ASP A 1 22  ? 11.217  -22.421 -3.128  1.00 29.50 ? 36  ASP A OD2 1 
ATOM   165  N N   . GLY A 1 23  ? 13.124  -22.218 1.323   1.00 20.09 ? 37  GLY A N   1 
ATOM   166  C CA  . GLY A 1 23  ? 12.998  -21.016 2.125   1.00 17.78 ? 37  GLY A CA  1 
ATOM   167  C C   . GLY A 1 23  ? 11.678  -20.285 1.989   1.00 16.08 ? 37  GLY A C   1 
ATOM   168  O O   . GLY A 1 23  ? 11.511  -19.217 2.601   1.00 16.01 ? 37  GLY A O   1 
ATOM   169  N N   . ALA A 1 24  ? 10.727  -20.834 1.239   1.00 16.36 ? 38  ALA A N   1 
ATOM   170  C CA  . ALA A 1 24  ? 9.465   -20.167 0.963   1.00 16.68 ? 38  ALA A CA  1 
ATOM   171  C C   . ALA A 1 24  ? 8.463   -20.423 2.081   1.00 16.60 ? 38  ALA A C   1 
ATOM   172  O O   . ALA A 1 24  ? 8.365   -21.538 2.602   1.00 17.25 ? 38  ALA A O   1 
ATOM   173  C CB  . ALA A 1 24  ? 8.888   -20.680 -0.360  1.00 18.83 ? 38  ALA A CB  1 
ATOM   174  N N   . LEU A 1 25  ? 7.717   -19.384 2.444   1.00 15.22 ? 39  LEU A N   1 
ATOM   175  C CA  . LEU A 1 25  ? 6.524   -19.523 3.271   1.00 14.30 ? 39  LEU A CA  1 
ATOM   176  C C   . LEU A 1 25  ? 5.305   -19.254 2.396   1.00 14.98 ? 39  LEU A C   1 
ATOM   177  O O   . LEU A 1 25  ? 5.264   -18.248 1.679   1.00 14.60 ? 39  LEU A O   1 
ATOM   178  C CB  . LEU A 1 25  ? 6.533   -18.540 4.451   1.00 14.59 ? 39  LEU A CB  1 
ATOM   179  C CG  . LEU A 1 25  ? 7.637   -18.658 5.502   1.00 14.26 ? 39  LEU A CG  1 
ATOM   180  C CD1 . LEU A 1 25  ? 7.493   -17.542 6.541   1.00 14.35 ? 39  LEU A CD1 1 
ATOM   181  C CD2 . LEU A 1 25  ? 7.603   -20.026 6.169   1.00 14.71 ? 39  LEU A CD2 1 
ATOM   182  N N   . THR A 1 26  ? 4.323   -20.153 2.449   1.00 14.65 ? 40  THR A N   1 
ATOM   183  C CA  . THR A 1 26  ? 3.071   -19.995 1.721   1.00 14.97 ? 40  THR A CA  1 
ATOM   184  C C   . THR A 1 26  ? 1.924   -20.394 2.644   1.00 15.65 ? 40  THR A C   1 
ATOM   185  O O   . THR A 1 26  ? 2.114   -21.155 3.596   1.00 17.74 ? 40  THR A O   1 
ATOM   186  C CB  . THR A 1 26  ? 3.050   -20.857 0.445   1.00 16.75 ? 40  THR A CB  1 
ATOM   187  O OG1 . THR A 1 26  ? 3.151   -22.237 0.812   1.00 18.14 ? 40  THR A OG1 1 
ATOM   188  C CG2 . THR A 1 26  ? 4.216   -20.504 -0.466  1.00 17.34 ? 40  THR A CG2 1 
ATOM   189  N N   . GLY A 1 27  ? 0.736   -19.881 2.365   1.00 14.27 ? 41  GLY A N   1 
ATOM   190  C CA  . GLY A 1 27  ? -0.422  -20.316 3.140   1.00 14.88 ? 41  GLY A CA  1 
ATOM   191  C C   . GLY A 1 27  ? -1.513  -19.256 3.176   1.00 14.15 ? 41  GLY A C   1 
ATOM   192  O O   . GLY A 1 27  ? -1.634  -18.438 2.263   1.00 14.30 ? 41  GLY A O   1 
ATOM   193  N N   . THR A 1 28  ? -2.315  -19.308 4.244   1.00 14.43 ? 42  THR A N   1 
ATOM   194  C CA  . THR A 1 28  ? -3.464  -18.430 4.396   1.00 15.69 ? 42  THR A CA  1 
ATOM   195  C C   . THR A 1 28  ? -3.500  -17.852 5.803   1.00 15.53 ? 42  THR A C   1 
ATOM   196  O O   . THR A 1 28  ? -3.025  -18.467 6.764   1.00 16.67 ? 42  THR A O   1 
ATOM   197  C CB  . THR A 1 28  ? -4.799  -19.156 4.124   1.00 17.29 ? 42  THR A CB  1 
ATOM   198  O OG1 . THR A 1 28  ? -4.961  -20.241 5.051   1.00 18.63 ? 42  THR A OG1 1 
ATOM   199  C CG2 . THR A 1 28  ? -4.854  -19.693 2.691   1.00 17.06 ? 42  THR A CG2 1 
ATOM   200  N N   . TYR A 1 29  ? -4.089  -16.668 5.912   1.00 15.49 ? 43  TYR A N   1 
ATOM   201  C CA  . TYR A 1 29  ? -4.242  -15.981 7.186   1.00 14.53 ? 43  TYR A CA  1 
ATOM   202  C C   . TYR A 1 29  ? -5.698  -15.580 7.344   1.00 14.59 ? 43  TYR A C   1 
ATOM   203  O O   . TYR A 1 29  ? -6.299  -15.046 6.409   1.00 15.37 ? 43  TYR A O   1 
ATOM   204  C CB  . TYR A 1 29  ? -3.361  -14.730 7.235   1.00 15.04 ? 43  TYR A CB  1 
ATOM   205  C CG  . TYR A 1 29  ? -3.101  -14.226 8.639   1.00 14.32 ? 43  TYR A CG  1 
ATOM   206  C CD1 . TYR A 1 29  ? -3.991  -13.364 9.271   1.00 14.71 ? 43  TYR A CD1 1 
ATOM   207  C CD2 . TYR A 1 29  ? -1.959  -14.610 9.331   1.00 15.06 ? 43  TYR A CD2 1 
ATOM   208  C CE1 . TYR A 1 29  ? -3.755  -12.906 10.555  1.00 15.16 ? 43  TYR A CE1 1 
ATOM   209  C CE2 . TYR A 1 29  ? -1.714  -14.162 10.618  1.00 14.95 ? 43  TYR A CE2 1 
ATOM   210  C CZ  . TYR A 1 29  ? -2.613  -13.306 11.224  1.00 14.67 ? 43  TYR A CZ  1 
ATOM   211  O OH  . TYR A 1 29  ? -2.366  -12.851 12.500  1.00 14.80 ? 43  TYR A OH  1 
ATOM   212  N N   . GLU A 1 30  ? -6.264  -15.822 8.525   1.00 15.26 ? 44  GLU A N   1 
ATOM   213  C CA  . GLU A 1 30  ? -7.611  -15.374 8.841   1.00 16.62 ? 44  GLU A CA  1 
ATOM   214  C C   . GLU A 1 30  ? -7.543  -14.515 10.092  1.00 16.63 ? 44  GLU A C   1 
ATOM   215  O O   . GLU A 1 30  ? -6.978  -14.938 11.104  1.00 17.09 ? 44  GLU A O   1 
ATOM   216  C CB  . GLU A 1 30  ? -8.555  -16.558 9.058   1.00 18.44 ? 44  GLU A CB  1 
ATOM   217  C CG  . GLU A 1 30  ? -10.001 -16.143 9.276   1.00 22.00 ? 44  GLU A CG  1 
ATOM   218  C CD  . GLU A 1 30  ? -10.969 -17.303 9.205   1.00 24.93 ? 44  GLU A CD  1 
ATOM   219  O OE1 . GLU A 1 30  ? -10.519 -18.445 8.969   1.00 25.86 ? 44  GLU A OE1 1 
ATOM   220  O OE2 . GLU A 1 30  ? -12.185 -17.066 9.383   1.00 27.39 ? 44  GLU A OE2 1 
ATOM   221  N N   . SER A 1 31  ? -8.110  -13.315 10.026  1.00 17.92 ? 45  SER A N   1 
ATOM   222  C CA  . SER A 1 31  ? -8.007  -12.349 11.113  1.00 19.53 ? 45  SER A CA  1 
ATOM   223  C C   . SER A 1 31  ? -9.300  -12.280 11.911  1.00 21.74 ? 45  SER A C   1 
ATOM   224  O O   . SER A 1 31  ? -10.399 -12.323 11.349  1.00 23.61 ? 45  SER A O   1 
ATOM   225  C CB  . SER A 1 31  ? -7.682  -10.955 10.573  1.00 20.47 ? 45  SER A CB  1 
ATOM   226  O OG  . SER A 1 31  ? -7.672  -10.000 11.625  1.00 21.23 ? 45  SER A OG  1 
ATOM   227  N N   . ALA A 1 32  ? -9.162  -12.153 13.227  1.00 22.42 ? 46  ALA A N   1 
ATOM   228  C CA  . ALA A 1 32  ? -10.302 -11.896 14.093  1.00 23.37 ? 46  ALA A CA  1 
ATOM   229  C C   . ALA A 1 32  ? -10.543 -10.409 14.330  1.00 23.35 ? 46  ALA A C   1 
ATOM   230  O O   . ALA A 1 32  ? -11.483 -10.058 15.051  1.00 24.90 ? 46  ALA A O   1 
ATOM   231  C CB  . ALA A 1 32  ? -10.129 -12.628 15.428  1.00 25.65 ? 46  ALA A CB  1 
ATOM   232  N N   . VAL A 1 33  ? -9.725  -9.530  13.743  1.00 21.75 ? 47  VAL A N   1 
ATOM   233  C CA  . VAL A 1 33  ? -9.830  -8.089  13.945  1.00 20.59 ? 47  VAL A CA  1 
ATOM   234  C C   . VAL A 1 33  ? -9.767  -7.372  12.600  1.00 21.14 ? 47  VAL A C   1 
ATOM   235  O O   . VAL A 1 33  ? -9.385  -7.942  11.576  1.00 21.46 ? 47  VAL A O   1 
ATOM   236  C CB  . VAL A 1 33  ? -8.746  -7.537  14.898  1.00 22.20 ? 47  VAL A CB  1 
ATOM   237  C CG1 . VAL A 1 33  ? -8.865  -8.174  16.274  1.00 22.14 ? 47  VAL A CG1 1 
ATOM   238  C CG2 . VAL A 1 33  ? -7.358  -7.750  14.309  1.00 23.22 ? 47  VAL A CG2 1 
ATOM   239  N N   . GLY A 1 34  ? -10.150 -6.094  12.619  1.00 19.90 ? 48  GLY A N   1 
ATOM   240  C CA  . GLY A 1 34  ? -10.020 -5.247  11.451  1.00 20.54 ? 48  GLY A CA  1 
ATOM   241  C C   . GLY A 1 34  ? -11.072 -5.506  10.391  1.00 20.62 ? 48  GLY A C   1 
ATOM   242  O O   . GLY A 1 34  ? -11.996 -6.306  10.544  1.00 21.02 ? 48  GLY A O   1 
ATOM   243  N N   . ASN A 1 35  ? -10.905 -4.805  9.268   1.00 20.60 ? 49  ASN A N   1 
ATOM   244  C CA  . ASN A 1 35  ? -11.799 -4.949  8.122   1.00 21.86 ? 49  ASN A CA  1 
ATOM   245  C C   . ASN A 1 35  ? -11.359 -6.189  7.350   1.00 22.30 ? 49  ASN A C   1 
ATOM   246  O O   . ASN A 1 35  ? -10.647 -6.115  6.345   1.00 21.92 ? 49  ASN A O   1 
ATOM   247  C CB  . ASN A 1 35  ? -11.760 -3.693  7.259   1.00 23.48 ? 49  ASN A CB  1 
ATOM   248  C CG  . ASN A 1 35  ? -12.699 -3.771  6.066   1.00 25.35 ? 49  ASN A CG  1 
ATOM   249  O OD1 . ASN A 1 35  ? -13.619 -4.588  6.037   1.00 26.75 ? 49  ASN A OD1 1 
ATOM   250  N ND2 . ASN A 1 35  ? -12.469 -2.915  5.076   1.00 25.71 ? 49  ASN A ND2 1 
ATOM   251  N N   . ALA A 1 36  ? -11.798 -7.350  7.844   1.00 22.86 ? 50  ALA A N   1 
ATOM   252  C CA  . ALA A 1 36  ? -11.333 -8.638  7.348   1.00 21.65 ? 50  ALA A CA  1 
ATOM   253  C C   . ALA A 1 36  ? -12.445 -9.674  7.439   1.00 21.46 ? 50  ALA A C   1 
ATOM   254  O O   . ALA A 1 36  ? -13.263 -9.657  8.362   1.00 22.55 ? 50  ALA A O   1 
ATOM   255  C CB  . ALA A 1 36  ? -10.126 -9.138  8.148   1.00 20.90 ? 50  ALA A CB  1 
ATOM   256  N N   . GLU A 1 37  ? -12.445 -10.595 6.478   1.00 20.24 ? 51  GLU A N   1 
ATOM   257  C CA  . GLU A 1 37  ? -13.415 -11.681 6.432   1.00 21.00 ? 51  GLU A CA  1 
ATOM   258  C C   . GLU A 1 37  ? -12.800 -12.841 5.663   1.00 19.69 ? 51  GLU A C   1 
ATOM   259  O O   . GLU A 1 37  ? -12.228 -12.639 4.588   1.00 19.77 ? 51  GLU A O   1 
ATOM   260  C CB  . GLU A 1 37  ? -14.703 -11.217 5.743   1.00 23.07 ? 51  GLU A CB  1 
ATOM   261  C CG  . GLU A 1 37  ? -15.694 -12.329 5.443   1.00 24.52 ? 51  GLU A CG  1 
ATOM   262  C CD  . GLU A 1 37  ? -16.948 -11.822 4.752   1.00 25.60 ? 51  GLU A CD  1 
ATOM   263  O OE1 . GLU A 1 37  ? -17.064 -10.597 4.538   1.00 26.15 ? 51  GLU A OE1 1 
ATOM   264  O OE2 . GLU A 1 37  ? -17.820 -12.651 4.421   1.00 27.38 ? 51  GLU A OE2 1 
ATOM   265  N N   . SER A 1 38  ? -12.916 -14.050 6.217   1.00 20.00 ? 52  SER A N   1 
ATOM   266  C CA  . SER A 1 38  ? -12.414 -15.263 5.572   1.00 21.91 ? 52  SER A CA  1 
ATOM   267  C C   . SER A 1 38  ? -10.894 -15.254 5.425   1.00 19.76 ? 52  SER A C   1 
ATOM   268  O O   . SER A 1 38  ? -10.201 -14.506 6.123   1.00 19.84 ? 52  SER A O   1 
ATOM   269  C CB  . SER A 1 38  ? -13.108 -15.506 4.225   1.00 25.23 ? 52  SER A CB  1 
ATOM   270  O OG  . SER A 1 38  ? -12.810 -16.792 3.711   1.00 28.28 ? 52  SER A OG  1 
ATOM   271  N N   . ARG A 1 39  ? -10.367 -16.081 4.523   1.00 18.19 ? 53  ARG A N   1 
ATOM   272  C CA  . ARG A 1 39  ? -8.929  -16.291 4.407   1.00 18.44 ? 53  ARG A CA  1 
ATOM   273  C C   . ARG A 1 39  ? -8.299  -15.359 3.376   1.00 15.81 ? 53  ARG A C   1 
ATOM   274  O O   . ARG A 1 39  ? -8.915  -14.999 2.367   1.00 16.21 ? 53  ARG A O   1 
ATOM   275  C CB  . ARG A 1 39  ? -8.625  -17.742 4.024   1.00 20.76 ? 53  ARG A CB  1 
ATOM   276  C CG  . ARG A 1 39  ? -8.858  -18.739 5.146   1.00 21.97 ? 53  ARG A CG  1 
ATOM   277  C CD  . ARG A 1 39  ? -8.717  -20.177 4.663   1.00 24.42 ? 53  ARG A CD  1 
ATOM   278  N NE  . ARG A 1 39  ? -8.865  -21.129 5.760   1.00 26.40 ? 53  ARG A NE  1 
ATOM   279  C CZ  . ARG A 1 39  ? -8.901  -22.446 5.612   1.00 27.43 ? 53  ARG A CZ  1 
ATOM   280  N NH1 . ARG A 1 39  ? -8.795  -23.010 4.420   1.00 28.70 ? 53  ARG A NH1 1 
ATOM   281  N NH2 . ARG A 1 39  ? -9.045  -23.219 6.686   1.00 27.86 ? 53  ARG A NH2 1 
ATOM   282  N N   . TYR A 1 40  ? -7.045  -14.986 3.642   1.00 14.78 ? 54  TYR A N   1 
ATOM   283  C CA  . TYR A 1 40  ? -6.241  -14.151 2.755   1.00 14.21 ? 54  TYR A CA  1 
ATOM   284  C C   . TYR A 1 40  ? -4.931  -14.864 2.450   1.00 14.19 ? 54  TYR A C   1 
ATOM   285  O O   . TYR A 1 40  ? -4.399  -15.602 3.281   1.00 14.76 ? 54  TYR A O   1 
ATOM   286  C CB  . TYR A 1 40  ? -5.919  -12.780 3.392   1.00 14.23 ? 54  TYR A CB  1 
ATOM   287  C CG  . TYR A 1 40  ? -7.139  -11.941 3.672   1.00 13.72 ? 54  TYR A CG  1 
ATOM   288  C CD1 . TYR A 1 40  ? -7.928  -12.172 4.792   1.00 14.64 ? 54  TYR A CD1 1 
ATOM   289  C CD2 . TYR A 1 40  ? -7.501  -10.900 2.824   1.00 14.04 ? 54  TYR A CD2 1 
ATOM   290  C CE1 . TYR A 1 40  ? -9.048  -11.411 5.043   1.00 15.27 ? 54  TYR A CE1 1 
ATOM   291  C CE2 . TYR A 1 40  ? -8.622  -10.133 3.067   1.00 14.86 ? 54  TYR A CE2 1 
ATOM   292  C CZ  . TYR A 1 40  ? -9.392  -10.388 4.183   1.00 15.38 ? 54  TYR A CZ  1 
ATOM   293  O OH  . TYR A 1 40  ? -10.516 -9.642  4.449   1.00 17.01 ? 54  TYR A OH  1 
ATOM   294  N N   . VAL A 1 41  ? -4.420  -14.648 1.236   1.00 14.07 ? 55  VAL A N   1 
ATOM   295  C CA  . VAL A 1 41  ? -3.143  -15.228 0.834   1.00 13.82 ? 55  VAL A CA  1 
ATOM   296  C C   . VAL A 1 41  ? -2.004  -14.590 1.616   1.00 13.73 ? 55  VAL A C   1 
ATOM   297  O O   . VAL A 1 41  ? -1.976  -13.369 1.828   1.00 13.62 ? 55  VAL A O   1 
ATOM   298  C CB  . VAL A 1 41  ? -2.938  -15.007 -0.675  1.00 14.42 ? 55  VAL A CB  1 
ATOM   299  C CG1 . VAL A 1 41  ? -1.533  -15.440 -1.108  1.00 15.68 ? 55  VAL A CG1 1 
ATOM   300  C CG2 . VAL A 1 41  ? -3.995  -15.764 -1.485  1.00 16.01 ? 55  VAL A CG2 1 
ATOM   301  N N   . LEU A 1 42  ? -1.027  -15.405 2.011   1.00 13.93 ? 56  LEU A N   1 
ATOM   302  C CA  . LEU A 1 42  ? 0.234   -14.889 2.532   1.00 14.54 ? 56  LEU A CA  1 
ATOM   303  C C   . LEU A 1 42  ? 1.409   -15.507 1.785   1.00 13.49 ? 56  LEU A C   1 
ATOM   304  O O   . LEU A 1 42  ? 1.346   -16.655 1.337   1.00 14.49 ? 56  LEU A O   1 
ATOM   305  C CB  . LEU A 1 42  ? 0.389   -15.174 4.031   1.00 14.63 ? 56  LEU A CB  1 
ATOM   306  C CG  . LEU A 1 42  ? 0.624   -16.614 4.478   1.00 15.36 ? 56  LEU A CG  1 
ATOM   307  C CD1 . LEU A 1 42  ? 2.110   -16.951 4.574   1.00 16.33 ? 56  LEU A CD1 1 
ATOM   308  C CD2 . LEU A 1 42  ? -0.066  -16.840 5.816   1.00 17.08 ? 56  LEU A CD2 1 
ATOM   309  N N   . THR A 1 43  ? 2.495   -14.741 1.675   1.00 13.76 ? 57  THR A N   1 
ATOM   310  C CA  . THR A 1 43  ? 3.775   -15.270 1.221   1.00 12.86 ? 57  THR A CA  1 
ATOM   311  C C   . THR A 1 43  ? 4.893   -14.654 2.053   1.00 12.28 ? 57  THR A C   1 
ATOM   312  O O   . THR A 1 43  ? 4.777   -13.524 2.538   1.00 11.93 ? 57  THR A O   1 
ATOM   313  C CB  . THR A 1 43  ? 4.044   -15.034 -0.291  1.00 14.97 ? 57  THR A CB  1 
ATOM   314  O OG1 . THR A 1 43  ? 4.073   -13.626 -0.570  1.00 16.48 ? 57  THR A OG1 1 
ATOM   315  C CG2 . THR A 1 43  ? 2.992   -15.715 -1.157  1.00 18.23 ? 57  THR A CG2 1 
ATOM   316  N N   . GLY A 1 44  ? 5.972   -15.407 2.220   1.00 13.42 ? 58  GLY A N   1 
ATOM   317  C CA  . GLY A 1 44  ? 7.103   -14.920 2.979   1.00 13.75 ? 58  GLY A CA  1 
ATOM   318  C C   . GLY A 1 44  ? 8.316   -15.802 2.786   1.00 12.83 ? 58  GLY A C   1 
ATOM   319  O O   . GLY A 1 44  ? 8.366   -16.631 1.874   1.00 13.23 ? 58  GLY A O   1 
ATOM   320  N N   . ARG A 1 45  ? 9.293   -15.618 3.677   1.00 13.20 ? 59  ARG A N   1 
ATOM   321  C CA  . ARG A 1 45  ? 10.574  -16.305 3.605   1.00 14.68 ? 59  ARG A CA  1 
ATOM   322  C C   . ARG A 1 45  ? 11.016  -16.671 5.012   1.00 13.88 ? 59  ARG A C   1 
ATOM   323  O O   . ARG A 1 45  ? 10.656  -15.999 5.982   1.00 14.07 ? 59  ARG A O   1 
ATOM   324  C CB  . ARG A 1 45  ? 11.670  -15.415 3.003   1.00 14.96 ? 59  ARG A CB  1 
ATOM   325  C CG  . ARG A 1 45  ? 11.392  -14.900 1.584   1.00 15.80 ? 59  ARG A CG  1 
ATOM   326  C CD  . ARG A 1 45  ? 11.478  -15.998 0.529   1.00 17.16 ? 59  ARG A CD  1 
ATOM   327  N NE  . ARG A 1 45  ? 12.822  -16.547 0.438   1.00 16.05 ? 59  ARG A NE  1 
ATOM   328  C CZ  . ARG A 1 45  ? 13.109  -17.692 -0.163  1.00 17.48 ? 59  ARG A CZ  1 
ATOM   329  N NH1 . ARG A 1 45  ? 12.172  -18.404 -0.770  1.00 18.31 ? 59  ARG A NH1 1 
ATOM   330  N NH2 . ARG A 1 45  ? 14.360  -18.147 -0.131  1.00 17.62 ? 59  ARG A NH2 1 
ATOM   331  N N   . TYR A 1 46  ? 11.832  -17.717 5.114   1.00 14.81 ? 60  TYR A N   1 
ATOM   332  C CA  . TYR A 1 46  ? 12.425  -18.101 6.389   1.00 14.40 ? 60  TYR A CA  1 
ATOM   333  C C   . TYR A 1 46  ? 13.827  -18.649 6.151   1.00 14.45 ? 60  TYR A C   1 
ATOM   334  O O   . TYR A 1 46  ? 14.168  -19.082 5.045   1.00 16.15 ? 60  TYR A O   1 
ATOM   335  C CB  . TYR A 1 46  ? 11.571  -19.141 7.139   1.00 15.54 ? 60  TYR A CB  1 
ATOM   336  C CG  . TYR A 1 46  ? 11.691  -20.554 6.577   1.00 16.41 ? 60  TYR A CG  1 
ATOM   337  C CD1 . TYR A 1 46  ? 11.070  -20.913 5.382   1.00 17.32 ? 60  TYR A CD1 1 
ATOM   338  C CD2 . TYR A 1 46  ? 12.421  -21.531 7.250   1.00 18.64 ? 60  TYR A CD2 1 
ATOM   339  C CE1 . TYR A 1 46  ? 11.186  -22.203 4.866   1.00 19.39 ? 60  TYR A CE1 1 
ATOM   340  C CE2 . TYR A 1 46  ? 12.538  -22.818 6.745   1.00 19.21 ? 60  TYR A CE2 1 
ATOM   341  C CZ  . TYR A 1 46  ? 11.921  -23.149 5.553   1.00 19.70 ? 60  TYR A CZ  1 
ATOM   342  O OH  . TYR A 1 46  ? 12.041  -24.431 5.057   1.00 22.13 ? 60  TYR A OH  1 
ATOM   343  N N   . ASP A 1 47  ? 14.631  -18.654 7.213   1.00 15.82 ? 61  ASP A N   1 
ATOM   344  C CA  . ASP A 1 47  ? 15.990  -19.180 7.154   1.00 15.97 ? 61  ASP A CA  1 
ATOM   345  C C   . ASP A 1 47  ? 15.929  -20.704 7.155   1.00 17.21 ? 61  ASP A C   1 
ATOM   346  O O   . ASP A 1 47  ? 15.606  -21.321 8.173   1.00 17.99 ? 61  ASP A O   1 
ATOM   347  C CB  . ASP A 1 47  ? 16.775  -18.654 8.355   1.00 16.04 ? 61  ASP A CB  1 
ATOM   348  C CG  . ASP A 1 47  ? 18.201  -19.178 8.414   1.00 16.63 ? 61  ASP A CG  1 
ATOM   349  O OD1 . ASP A 1 47  ? 18.623  -19.926 7.506   1.00 16.67 ? 61  ASP A OD1 1 
ATOM   350  O OD2 . ASP A 1 47  ? 18.911  -18.844 9.385   1.00 17.82 ? 61  ASP A OD2 1 
ATOM   351  N N   . SER A 1 48  ? 16.252  -21.322 6.020   1.00 18.21 ? 62  SER A N   1 
ATOM   352  C CA  . SER A 1 48  ? 16.145  -22.773 5.903   1.00 20.25 ? 62  SER A CA  1 
ATOM   353  C C   . SER A 1 48  ? 17.336  -23.515 6.494   1.00 20.05 ? 62  SER A C   1 
ATOM   354  O O   . SER A 1 48  ? 17.334  -24.751 6.488   1.00 20.83 ? 62  SER A O   1 
ATOM   355  C CB  . SER A 1 48  ? 15.960  -23.177 4.440   1.00 22.21 ? 62  SER A CB  1 
ATOM   356  O OG  . SER A 1 48  ? 17.050  -22.711 3.675   1.00 24.15 ? 62  SER A OG  1 
ATOM   357  N N   . ALA A 1 49  ? 18.342  -22.808 7.005   1.00 19.77 ? 63  ALA A N   1 
ATOM   358  C CA  . ALA A 1 49  ? 19.502  -23.432 7.644   1.00 20.30 ? 63  ALA A CA  1 
ATOM   359  C C   . ALA A 1 49  ? 19.908  -22.605 8.856   1.00 20.75 ? 63  ALA A C   1 
ATOM   360  O O   . ALA A 1 49  ? 20.966  -21.968 8.870   1.00 21.33 ? 63  ALA A O   1 
ATOM   361  C CB  . ALA A 1 49  ? 20.659  -23.573 6.654   1.00 21.09 ? 63  ALA A CB  1 
ATOM   362  N N   . PRO A 1 50  ? 19.089  -22.610 9.906   1.00 21.19 ? 64  PRO A N   1 
ATOM   363  C CA  . PRO A 1 50  ? 19.358  -21.756 11.070  1.00 20.88 ? 64  PRO A CA  1 
ATOM   364  C C   . PRO A 1 50  ? 20.630  -22.167 11.797  1.00 21.36 ? 64  PRO A C   1 
ATOM   365  O O   . PRO A 1 50  ? 21.200  -23.236 11.577  1.00 21.18 ? 64  PRO A O   1 
ATOM   366  C CB  . PRO A 1 50  ? 18.124  -21.965 11.953  1.00 21.22 ? 64  PRO A CB  1 
ATOM   367  C CG  . PRO A 1 50  ? 17.569  -23.290 11.532  1.00 21.22 ? 64  PRO A CG  1 
ATOM   368  C CD  . PRO A 1 50  ? 17.845  -23.383 10.059  1.00 21.27 ? 64  PRO A CD  1 
ATOM   369  N N   . ALA A 1 51  ? 21.084  -21.277 12.677  1.00 21.80 ? 65  ALA A N   1 
ATOM   370  C CA  . ALA A 1 51  ? 22.253  -21.575 13.489  1.00 22.92 ? 65  ALA A CA  1 
ATOM   371  C C   . ALA A 1 51  ? 21.975  -22.767 14.401  1.00 24.72 ? 65  ALA A C   1 
ATOM   372  O O   . ALA A 1 51  ? 20.826  -23.097 14.712  1.00 25.45 ? 65  ALA A O   1 
ATOM   373  C CB  . ALA A 1 51  ? 22.645  -20.360 14.330  1.00 23.47 ? 65  ALA A CB  1 
ATOM   374  N N   . THR A 1 52  ? 23.053  -23.426 14.823  1.00 26.83 ? 66  THR A N   1 
ATOM   375  C CA  . THR A 1 52  ? 22.963  -24.605 15.675  1.00 28.26 ? 66  THR A CA  1 
ATOM   376  C C   . THR A 1 52  ? 23.389  -24.311 17.111  1.00 29.24 ? 66  THR A C   1 
ATOM   377  O O   . THR A 1 52  ? 23.786  -25.226 17.840  1.00 31.11 ? 66  THR A O   1 
ATOM   378  C CB  . THR A 1 52  ? 23.770  -25.762 15.083  1.00 30.00 ? 66  THR A CB  1 
ATOM   379  O OG1 . THR A 1 52  ? 25.139  -25.366 14.938  1.00 31.12 ? 66  THR A OG1 1 
ATOM   380  C CG2 . THR A 1 52  ? 23.215  -26.153 13.721  1.00 30.31 ? 66  THR A CG2 1 
ATOM   381  N N   . ASP A 1 53  ? 23.297  -23.050 17.530  1.00 28.91 ? 67  ASP A N   1 
ATOM   382  C CA  . ASP A 1 53  ? 23.773  -22.602 18.831  1.00 29.17 ? 67  ASP A CA  1 
ATOM   383  C C   . ASP A 1 53  ? 22.640  -22.331 19.814  1.00 29.02 ? 67  ASP A C   1 
ATOM   384  O O   . ASP A 1 53  ? 22.866  -21.678 20.839  1.00 31.26 ? 67  ASP A O   1 
ATOM   385  C CB  . ASP A 1 53  ? 24.636  -21.347 18.667  1.00 30.17 ? 67  ASP A CB  1 
ATOM   386  C CG  . ASP A 1 53  ? 23.886  -20.202 18.000  1.00 31.06 ? 67  ASP A CG  1 
ATOM   387  O OD1 . ASP A 1 53  ? 22.674  -20.343 17.736  1.00 29.83 ? 67  ASP A OD1 1 
ATOM   388  O OD2 . ASP A 1 53  ? 24.513  -19.154 17.737  1.00 33.12 ? 67  ASP A OD2 1 
ATOM   389  N N   . GLY A 1 54  ? 21.430  -22.804 19.527  1.00 26.82 ? 68  GLY A N   1 
ATOM   390  C CA  . GLY A 1 54  ? 20.289  -22.537 20.374  1.00 25.39 ? 68  GLY A CA  1 
ATOM   391  C C   . GLY A 1 54  ? 19.436  -21.359 19.948  1.00 24.92 ? 68  GLY A C   1 
ATOM   392  O O   . GLY A 1 54  ? 18.442  -21.061 20.625  1.00 26.42 ? 68  GLY A O   1 
ATOM   393  N N   . SER A 1 55  ? 19.782  -20.689 18.849  1.00 23.02 ? 69  SER A N   1 
ATOM   394  C CA  . SER A 1 55  ? 19.033  -19.533 18.386  1.00 21.95 ? 69  SER A CA  1 
ATOM   395  C C   . SER A 1 55  ? 17.762  -19.962 17.657  1.00 21.09 ? 69  SER A C   1 
ATOM   396  O O   . SER A 1 55  ? 17.671  -21.061 17.102  1.00 22.24 ? 69  SER A O   1 
ATOM   397  C CB  . SER A 1 55  ? 19.881  -18.699 17.423  1.00 24.14 ? 69  SER A CB  1 
ATOM   398  O OG  . SER A 1 55  ? 21.068  -18.226 18.037  1.00 26.38 ? 69  SER A OG  1 
ATOM   399  N N   . GLY A 1 56  ? 16.785  -19.058 17.634  1.00 19.71 ? 70  GLY A N   1 
ATOM   400  C CA  . GLY A 1 56  ? 15.571  -19.273 16.873  1.00 18.91 ? 70  GLY A CA  1 
ATOM   401  C C   . GLY A 1 56  ? 15.806  -19.135 15.376  1.00 18.07 ? 70  GLY A C   1 
ATOM   402  O O   . GLY A 1 56  ? 16.899  -18.818 14.907  1.00 17.72 ? 70  GLY A O   1 
ATOM   403  N N   . THR A 1 57  ? 14.737  -19.375 14.616  1.00 17.27 ? 71  THR A N   1 
ATOM   404  C CA  . THR A 1 57  ? 14.764  -19.348 13.152  1.00 17.34 ? 71  THR A CA  1 
ATOM   405  C C   . THR A 1 57  ? 14.065  -18.088 12.646  1.00 16.70 ? 71  THR A C   1 
ATOM   406  O O   . THR A 1 57  ? 12.849  -17.937 12.821  1.00 17.56 ? 71  THR A O   1 
ATOM   407  C CB  . THR A 1 57  ? 14.063  -20.581 12.576  1.00 17.74 ? 71  THR A CB  1 
ATOM   408  O OG1 . THR A 1 57  ? 14.708  -21.769 13.053  1.00 18.63 ? 71  THR A OG1 1 
ATOM   409  C CG2 . THR A 1 57  ? 14.100  -20.564 11.039  1.00 18.21 ? 71  THR A CG2 1 
ATOM   410  N N   . ALA A 1 58  ? 14.817  -17.212 11.982  1.00 15.44 ? 72  ALA A N   1 
ATOM   411  C CA  . ALA A 1 58  ? 14.251  -15.952 11.518  1.00 14.89 ? 72  ALA A CA  1 
ATOM   412  C C   . ALA A 1 58  ? 13.310  -16.177 10.336  1.00 15.14 ? 72  ALA A C   1 
ATOM   413  O O   . ALA A 1 58  ? 13.516  -17.077 9.509   1.00 16.15 ? 72  ALA A O   1 
ATOM   414  C CB  . ALA A 1 58  ? 15.367  -14.992 11.116  1.00 16.32 ? 72  ALA A CB  1 
ATOM   415  N N   A LEU A 1 59  ? 12.296  -15.321 10.242  0.53 14.95 ? 73  LEU A N   1 
ATOM   416  N N   B LEU A 1 59  ? 12.250  -15.365 10.273  0.47 14.73 ? 73  LEU A N   1 
ATOM   417  C CA  A LEU A 1 59  ? 11.304  -15.436 9.183   0.53 14.35 ? 73  LEU A CA  1 
ATOM   418  C CA  B LEU A 1 59  ? 11.224  -15.507 9.241   0.47 13.99 ? 73  LEU A CA  1 
ATOM   419  C C   A LEU A 1 59  ? 10.545  -14.121 9.048   0.53 13.32 ? 73  LEU A C   1 
ATOM   420  C C   B LEU A 1 59  ? 10.368  -14.245 9.170   0.47 12.94 ? 73  LEU A C   1 
ATOM   421  O O   A LEU A 1 59  ? 10.716  -13.186 9.838   0.53 14.04 ? 73  LEU A O   1 
ATOM   422  O O   B LEU A 1 59  ? 10.310  -13.454 10.118  0.47 12.79 ? 73  LEU A O   1 
ATOM   423  C CB  A LEU A 1 59  ? 10.355  -16.614 9.443   0.53 14.86 ? 73  LEU A CB  1 
ATOM   424  C CB  B LEU A 1 59  ? 10.338  -16.741 9.482   0.47 14.54 ? 73  LEU A CB  1 
ATOM   425  C CG  A LEU A 1 59  ? 9.745   -16.719 10.847  0.53 16.39 ? 73  LEU A CG  1 
ATOM   426  C CG  B LEU A 1 59  ? 9.110   -16.613 10.398  0.47 16.34 ? 73  LEU A CG  1 
ATOM   427  C CD1 A LEU A 1 59  ? 8.579   -15.760 11.045  0.53 17.31 ? 73  LEU A CD1 1 
ATOM   428  C CD1 B LEU A 1 59  ? 8.277   -17.889 10.376  0.47 16.96 ? 73  LEU A CD1 1 
ATOM   429  C CD2 A LEU A 1 59  ? 9.300   -18.136 11.128  0.53 16.65 ? 73  LEU A CD2 1 
ATOM   430  C CD2 B LEU A 1 59  ? 9.506   -16.278 11.824  0.47 17.04 ? 73  LEU A CD2 1 
ATOM   431  N N   . GLY A 1 60  ? 9.693   -14.074 8.030   1.00 12.54 ? 74  GLY A N   1 
ATOM   432  C CA  . GLY A 1 60  ? 8.765   -12.971 7.850   1.00 12.09 ? 74  GLY A CA  1 
ATOM   433  C C   . GLY A 1 60  ? 7.756   -13.310 6.776   1.00 11.83 ? 74  GLY A C   1 
ATOM   434  O O   . GLY A 1 60  ? 8.004   -14.166 5.920   1.00 12.44 ? 74  GLY A O   1 
ATOM   435  N N   . TRP A 1 61  ? 6.602   -12.643 6.821   1.00 12.17 ? 75  TRP A N   1 
ATOM   436  C CA  . TRP A 1 61  ? 5.592   -12.852 5.784   1.00 11.66 ? 75  TRP A CA  1 
ATOM   437  C C   . TRP A 1 61  ? 4.697   -11.627 5.665   1.00 10.61 ? 75  TRP A C   1 
ATOM   438  O O   . TRP A 1 61  ? 4.685   -10.757 6.540   1.00 11.46 ? 75  TRP A O   1 
ATOM   439  C CB  . TRP A 1 61  ? 4.769   -14.128 6.013   1.00 12.55 ? 75  TRP A CB  1 
ATOM   440  C CG  . TRP A 1 61  ? 3.795   -14.056 7.187   1.00 13.04 ? 75  TRP A CG  1 
ATOM   441  C CD1 . TRP A 1 61  ? 2.480   -13.699 7.133   1.00 13.45 ? 75  TRP A CD1 1 
ATOM   442  C CD2 . TRP A 1 61  ? 4.060   -14.398 8.563   1.00 13.08 ? 75  TRP A CD2 1 
ATOM   443  N NE1 . TRP A 1 61  ? 1.908   -13.798 8.388   1.00 13.24 ? 75  TRP A NE1 1 
ATOM   444  C CE2 . TRP A 1 61  ? 2.863   -14.208 9.281   1.00 12.86 ? 75  TRP A CE2 1 
ATOM   445  C CE3 . TRP A 1 61  ? 5.197   -14.838 9.253   1.00 13.81 ? 75  TRP A CE3 1 
ATOM   446  C CZ2 . TRP A 1 61  ? 2.772   -14.434 10.666  1.00 13.93 ? 75  TRP A CZ2 1 
ATOM   447  C CZ3 . TRP A 1 61  ? 5.100   -15.063 10.630  1.00 14.28 ? 75  TRP A CZ3 1 
ATOM   448  C CH2 . TRP A 1 61  ? 3.897   -14.861 11.310  1.00 13.99 ? 75  TRP A CH2 1 
ATOM   449  N N   . THR A 1 62  ? 3.950   -11.569 4.554   1.00 11.43 ? 76  THR A N   1 
ATOM   450  C CA  . THR A 1 62  ? 3.084   -10.441 4.233   1.00 11.25 ? 76  THR A CA  1 
ATOM   451  C C   . THR A 1 62  ? 1.688   -10.936 3.887   1.00 11.59 ? 76  THR A C   1 
ATOM   452  O O   . THR A 1 62  ? 1.534   -11.955 3.201   1.00 12.76 ? 76  THR A O   1 
ATOM   453  C CB  . THR A 1 62  ? 3.618   -9.654  3.003   1.00 11.97 ? 76  THR A CB  1 
ATOM   454  O OG1 . THR A 1 62  ? 4.951   -9.207  3.258   1.00 12.03 ? 76  THR A OG1 1 
ATOM   455  C CG2 . THR A 1 62  ? 2.730   -8.454  2.682   1.00 13.28 ? 76  THR A CG2 1 
ATOM   456  N N   . VAL A 1 63  ? 0.677   -10.193 4.336   1.00 12.16 ? 77  VAL A N   1 
ATOM   457  C CA  . VAL A 1 63  ? -0.704  -10.345 3.883   1.00 12.32 ? 77  VAL A CA  1 
ATOM   458  C C   . VAL A 1 63  ? -1.162  -8.990  3.359   1.00 12.23 ? 77  VAL A C   1 
ATOM   459  O O   . VAL A 1 63  ? -1.108  -7.994  4.091   1.00 12.24 ? 77  VAL A O   1 
ATOM   460  C CB  . VAL A 1 63  ? -1.626  -10.800 5.029   1.00 13.44 ? 77  VAL A CB  1 
ATOM   461  C CG1 . VAL A 1 63  ? -3.087  -10.727 4.596   1.00 14.21 ? 77  VAL A CG1 1 
ATOM   462  C CG2 . VAL A 1 63  ? -1.253  -12.200 5.503   1.00 13.49 ? 77  VAL A CG2 1 
ATOM   463  N N   . ALA A 1 64  ? -1.623  -8.948  2.109   1.00 12.32 ? 78  ALA A N   1 
ATOM   464  C CA  . ALA A 1 64  ? -2.388  -7.808  1.610   1.00 13.12 ? 78  ALA A CA  1 
ATOM   465  C C   . ALA A 1 64  ? -3.868  -8.097  1.828   1.00 13.83 ? 78  ALA A C   1 
ATOM   466  O O   . ALA A 1 64  ? -4.357  -9.164  1.441   1.00 13.54 ? 78  ALA A O   1 
ATOM   467  C CB  . ALA A 1 64  ? -2.112  -7.570  0.121   1.00 13.84 ? 78  ALA A CB  1 
ATOM   468  N N   . TRP A 1 65  ? -4.579  -7.152  2.450   1.00 13.86 ? 79  TRP A N   1 
ATOM   469  C CA  . TRP A 1 65  ? -5.921  -7.427  2.967   1.00 13.35 ? 79  TRP A CA  1 
ATOM   470  C C   . TRP A 1 65  ? -6.997  -7.288  1.893   1.00 14.30 ? 79  TRP A C   1 
ATOM   471  O O   . TRP A 1 65  ? -7.988  -6.567  2.073   1.00 13.91 ? 79  TRP A O   1 
ATOM   472  C CB  . TRP A 1 65  ? -6.217  -6.569  4.200   1.00 13.96 ? 79  TRP A CB  1 
ATOM   473  C CG  . TRP A 1 65  ? -5.284  -6.879  5.341   1.00 13.54 ? 79  TRP A CG  1 
ATOM   474  C CD1 . TRP A 1 65  ? -4.258  -6.100  5.798   1.00 13.14 ? 79  TRP A CD1 1 
ATOM   475  C CD2 . TRP A 1 65  ? -5.274  -8.069  6.150   1.00 13.51 ? 79  TRP A CD2 1 
ATOM   476  N NE1 . TRP A 1 65  ? -3.607  -6.734  6.835   1.00 12.68 ? 79  TRP A NE1 1 
ATOM   477  C CE2 . TRP A 1 65  ? -4.214  -7.940  7.075   1.00 13.07 ? 79  TRP A CE2 1 
ATOM   478  C CE3 . TRP A 1 65  ? -6.057  -9.231  6.180   1.00 14.42 ? 79  TRP A CE3 1 
ATOM   479  C CZ2 . TRP A 1 65  ? -3.935  -8.920  8.035   1.00 14.36 ? 79  TRP A CZ2 1 
ATOM   480  C CZ3 . TRP A 1 65  ? -5.772  -10.202 7.132   1.00 15.09 ? 79  TRP A CZ3 1 
ATOM   481  C CH2 . TRP A 1 65  ? -4.718  -10.040 8.041   1.00 15.49 ? 79  TRP A CH2 1 
ATOM   482  N N   . LYS A 1 66  ? -6.797  -7.986  0.774   1.00 14.36 ? 80  LYS A N   1 
ATOM   483  C CA  . LYS A 1 66  ? -7.753  -8.061  -0.323  1.00 14.26 ? 80  LYS A CA  1 
ATOM   484  C C   . LYS A 1 66  ? -8.027  -9.529  -0.603  1.00 15.11 ? 80  LYS A C   1 
ATOM   485  O O   . LYS A 1 66  ? -7.087  -10.316 -0.755  1.00 15.69 ? 80  LYS A O   1 
ATOM   486  C CB  . LYS A 1 66  ? -7.172  -7.423  -1.596  1.00 14.90 ? 80  LYS A CB  1 
ATOM   487  C CG  . LYS A 1 66  ? -8.008  -7.643  -2.854  1.00 16.23 ? 80  LYS A CG  1 
ATOM   488  C CD  . LYS A 1 66  ? -7.302  -7.093  -4.087  1.00 18.34 ? 80  LYS A CD  1 
ATOM   489  C CE  . LYS A 1 66  ? -8.100  -7.365  -5.353  1.00 19.71 ? 80  LYS A CE  1 
ATOM   490  N NZ  . LYS A 1 66  ? -8.062  -8.803  -5.733  1.00 22.27 ? 80  LYS A NZ  1 
ATOM   491  N N   . ASN A 1 67  ? -9.302  -9.898  -0.665  1.00 14.98 ? 81  ASN A N   1 
ATOM   492  C CA  . ASN A 1 67  ? -9.693  -11.236 -1.115  1.00 15.59 ? 81  ASN A CA  1 
ATOM   493  C C   . ASN A 1 67  ? -10.987 -11.091 -1.908  1.00 16.94 ? 81  ASN A C   1 
ATOM   494  O O   . ASN A 1 67  ? -11.370 -9.987  -2.312  1.00 17.82 ? 81  ASN A O   1 
ATOM   495  C CB  . ASN A 1 67  ? -9.727  -12.249 0.045   1.00 15.61 ? 81  ASN A CB  1 
ATOM   496  C CG  . ASN A 1 67  ? -10.820 -11.950 1.056   1.00 15.90 ? 81  ASN A CG  1 
ATOM   497  O OD1 . ASN A 1 67  ? -11.680 -11.101 0.830   1.00 16.54 ? 81  ASN A OD1 1 
ATOM   498  N ND2 . ASN A 1 67  ? -10.799 -12.669 2.173   1.00 16.93 ? 81  ASN A ND2 1 
ATOM   499  N N   . ASN A 1 68  ? -11.686 -12.209 -2.131  1.00 17.49 ? 82  ASN A N   1 
ATOM   500  C CA  . ASN A 1 68  ? -12.914 -12.147 -2.920  1.00 19.28 ? 82  ASN A CA  1 
ATOM   501  C C   . ASN A 1 68  ? -14.041 -11.430 -2.189  1.00 19.69 ? 82  ASN A C   1 
ATOM   502  O O   . ASN A 1 68  ? -15.032 -11.054 -2.821  1.00 21.21 ? 82  ASN A O   1 
ATOM   503  C CB  . ASN A 1 68  ? -13.394 -13.548 -3.305  1.00 22.76 ? 82  ASN A CB  1 
ATOM   504  C CG  . ASN A 1 68  ? -12.418 -14.280 -4.205  1.00 26.10 ? 82  ASN A CG  1 
ATOM   505  O OD1 . ASN A 1 68  ? -11.588 -13.666 -4.876  1.00 26.77 ? 82  ASN A OD1 1 
ATOM   506  N ND2 . ASN A 1 68  ? -12.515 -15.603 -4.222  1.00 28.47 ? 82  ASN A ND2 1 
ATOM   507  N N   . TYR A 1 69  ? -13.919 -11.241 -0.880  1.00 18.74 ? 83  TYR A N   1 
ATOM   508  C CA  . TYR A 1 69  ? -15.001 -10.689 -0.079  1.00 19.02 ? 83  TYR A CA  1 
ATOM   509  C C   . TYR A 1 69  ? -14.815 -9.217  0.239   1.00 19.48 ? 83  TYR A C   1 
ATOM   510  O O   . TYR A 1 69  ? -15.787 -8.454  0.194   1.00 21.55 ? 83  TYR A O   1 
ATOM   511  C CB  . TYR A 1 69  ? -15.142 -11.484 1.224   1.00 19.55 ? 83  TYR A CB  1 
ATOM   512  C CG  . TYR A 1 69  ? -15.393 -12.949 0.975   1.00 20.31 ? 83  TYR A CG  1 
ATOM   513  C CD1 . TYR A 1 69  ? -16.685 -13.431 0.836   1.00 21.41 ? 83  TYR A CD1 1 
ATOM   514  C CD2 . TYR A 1 69  ? -14.338 -13.845 0.845   1.00 21.34 ? 83  TYR A CD2 1 
ATOM   515  C CE1 . TYR A 1 69  ? -16.926 -14.768 0.593   1.00 21.64 ? 83  TYR A CE1 1 
ATOM   516  C CE2 . TYR A 1 69  ? -14.569 -15.191 0.597   1.00 22.30 ? 83  TYR A CE2 1 
ATOM   517  C CZ  . TYR A 1 69  ? -15.866 -15.645 0.471   1.00 22.74 ? 83  TYR A CZ  1 
ATOM   518  O OH  . TYR A 1 69  ? -16.108 -16.976 0.220   1.00 25.30 ? 83  TYR A OH  1 
ATOM   519  N N   . ARG A 1 70  ? -13.589 -8.799  0.549   1.00 18.01 ? 84  ARG A N   1 
ATOM   520  C CA  . ARG A 1 70  ? -13.345 -7.443  1.022   1.00 18.32 ? 84  ARG A CA  1 
ATOM   521  C C   . ARG A 1 70  ? -11.981 -6.969  0.545   1.00 16.61 ? 84  ARG A C   1 
ATOM   522  O O   . ARG A 1 70  ? -11.117 -7.765  0.174   1.00 16.92 ? 84  ARG A O   1 
ATOM   523  C CB  . ARG A 1 70  ? -13.359 -7.384  2.552   1.00 20.94 ? 84  ARG A CB  1 
ATOM   524  C CG  . ARG A 1 70  ? -14.678 -7.753  3.199   1.00 23.30 ? 84  ARG A CG  1 
ATOM   525  C CD  . ARG A 1 70  ? -14.619 -7.459  4.677   1.00 25.52 ? 84  ARG A CD  1 
ATOM   526  N NE  . ARG A 1 70  ? -15.786 -7.954  5.392   1.00 28.11 ? 84  ARG A NE  1 
ATOM   527  C CZ  . ARG A 1 70  ? -16.094 -7.605  6.632   1.00 30.58 ? 84  ARG A CZ  1 
ATOM   528  N NH1 . ARG A 1 70  ? -15.374 -6.714  7.296   1.00 31.46 ? 84  ARG A NH1 1 
ATOM   529  N NH2 . ARG A 1 70  ? -17.151 -8.160  7.221   1.00 32.11 ? 84  ARG A NH2 1 
ATOM   530  N N   . ASN A 1 71  ? -11.784 -5.653  0.584   1.00 16.51 ? 85  ASN A N   1 
ATOM   531  C CA  . ASN A 1 71  ? -10.472 -5.066  0.318   1.00 16.85 ? 85  ASN A CA  1 
ATOM   532  C C   . ASN A 1 71  ? -10.298 -3.867  1.238   1.00 16.02 ? 85  ASN A C   1 
ATOM   533  O O   . ASN A 1 71  ? -10.952 -2.837  1.048   1.00 17.69 ? 85  ASN A O   1 
ATOM   534  C CB  . ASN A 1 71  ? -10.326 -4.649  -1.146  1.00 16.92 ? 85  ASN A CB  1 
ATOM   535  C CG  . ASN A 1 71  ? -8.903  -4.244  -1.494  1.00 16.19 ? 85  ASN A CG  1 
ATOM   536  O OD1 . ASN A 1 71  ? -8.057  -4.094  -0.610  1.00 15.81 ? 85  ASN A OD1 1 
ATOM   537  N ND2 . ASN A 1 71  ? -8.631  -4.065  -2.783  1.00 16.84 ? 85  ASN A ND2 1 
ATOM   538  N N   . ALA A 1 72  ? -9.402  -3.988  2.214   1.00 15.06 ? 86  ALA A N   1 
ATOM   539  C CA  . ALA A 1 72  ? -9.136  -2.917  3.169   1.00 15.20 ? 86  ALA A CA  1 
ATOM   540  C C   . ALA A 1 72  ? -8.084  -1.923  2.687   1.00 15.14 ? 86  ALA A C   1 
ATOM   541  O O   . ALA A 1 72  ? -7.809  -0.951  3.399   1.00 16.10 ? 86  ALA A O   1 
ATOM   542  C CB  . ALA A 1 72  ? -8.722  -3.505  4.528   1.00 15.74 ? 86  ALA A CB  1 
ATOM   543  N N   . HIS A 1 73  ? -7.502  -2.131  1.502   1.00 14.91 ? 87  HIS A N   1 
ATOM   544  C CA  . HIS A 1 73  ? -6.445  -1.269  0.963   1.00 14.37 ? 87  HIS A CA  1 
ATOM   545  C C   . HIS A 1 73  ? -5.305  -1.092  1.968   1.00 13.41 ? 87  HIS A C   1 
ATOM   546  O O   . HIS A 1 73  ? -4.929  0.022   2.335   1.00 14.02 ? 87  HIS A O   1 
ATOM   547  C CB  . HIS A 1 73  ? -6.997  0.081   0.489   1.00 14.93 ? 87  HIS A CB  1 
ATOM   548  C CG  . HIS A 1 73  ? -8.100  -0.042  -0.516  1.00 16.17 ? 87  HIS A CG  1 
ATOM   549  N ND1 . HIS A 1 73  ? -7.998  -0.830  -1.645  1.00 16.26 ? 87  HIS A ND1 1 
ATOM   550  C CD2 . HIS A 1 73  ? -9.332  0.518   -0.560  1.00 17.87 ? 87  HIS A CD2 1 
ATOM   551  C CE1 . HIS A 1 73  ? -9.121  -0.751  -2.337  1.00 17.77 ? 87  HIS A CE1 1 
ATOM   552  N NE2 . HIS A 1 73  ? -9.945  0.066   -1.704  1.00 18.74 ? 87  HIS A NE2 1 
ATOM   553  N N   . SER A 1 74  ? -4.754  -2.221  2.404   1.00 12.84 ? 88  SER A N   1 
ATOM   554  C CA  . SER A 1 74  ? -3.736  -2.226  3.447   1.00 12.23 ? 88  SER A CA  1 
ATOM   555  C C   . SER A 1 74  ? -2.993  -3.555  3.397   1.00 11.88 ? 88  SER A C   1 
ATOM   556  O O   . SER A 1 74  ? -3.441  -4.514  2.767   1.00 12.65 ? 88  SER A O   1 
ATOM   557  C CB  . SER A 1 74  ? -4.364  -2.021  4.828   1.00 13.94 ? 88  SER A CB  1 
ATOM   558  O OG  . SER A 1 74  ? -5.228  -3.105  5.117   1.00 14.33 ? 88  SER A OG  1 
ATOM   559  N N   . ALA A 1 75  ? -1.848  -3.606  4.082   1.00 12.09 ? 89  ALA A N   1 
ATOM   560  C CA  . ALA A 1 75  ? -1.033  -4.813  4.127   1.00 11.86 ? 89  ALA A CA  1 
ATOM   561  C C   . ALA A 1 75  ? -0.272  -4.858  5.448   1.00 11.49 ? 89  ALA A C   1 
ATOM   562  O O   . ALA A 1 75  ? 0.217   -3.829  5.920   1.00 12.43 ? 89  ALA A O   1 
ATOM   563  C CB  . ALA A 1 75  ? -0.049  -4.870  2.942   1.00 13.29 ? 89  ALA A CB  1 
ATOM   564  N N   . THR A 1 76  ? -0.173  -6.055  6.033   1.00 11.27 ? 90  THR A N   1 
ATOM   565  C CA  . THR A 1 76  ? 0.608   -6.288  7.241   1.00 11.04 ? 90  THR A CA  1 
ATOM   566  C C   . THR A 1 76  ? 1.819   -7.158  6.916   1.00 11.06 ? 90  THR A C   1 
ATOM   567  O O   . THR A 1 76  ? 1.713   -8.133  6.155   1.00 11.42 ? 90  THR A O   1 
ATOM   568  C CB  . THR A 1 76  ? -0.242  -7.000  8.300   1.00 11.89 ? 90  THR A CB  1 
ATOM   569  O OG1 . THR A 1 76  ? -1.386  -6.191  8.609   1.00 12.72 ? 90  THR A OG1 1 
ATOM   570  C CG2 . THR A 1 76  ? 0.567   -7.248  9.568   1.00 13.04 ? 90  THR A CG2 1 
ATOM   571  N N   . THR A 1 77  ? 2.971   -6.802  7.486   1.00 11.65 ? 91  THR A N   1 
ATOM   572  C CA  . THR A 1 77  ? 4.151   -7.659  7.480   1.00 12.12 ? 91  THR A CA  1 
ATOM   573  C C   . THR A 1 77  ? 4.495   -8.055  8.907   1.00 12.42 ? 91  THR A C   1 
ATOM   574  O O   . THR A 1 77  ? 4.526   -7.203  9.802   1.00 13.73 ? 91  THR A O   1 
ATOM   575  C CB  . THR A 1 77  ? 5.366   -6.972  6.835   1.00 13.53 ? 91  THR A CB  1 
ATOM   576  O OG1 . THR A 1 77  ? 5.747   -5.814  7.595   1.00 13.66 ? 91  THR A OG1 1 
ATOM   577  C CG2 . THR A 1 77  ? 5.057   -6.562  5.403   1.00 14.13 ? 91  THR A CG2 1 
ATOM   578  N N   . TRP A 1 78  ? 4.757   -9.341  9.114   1.00 11.53 ? 92  TRP A N   1 
ATOM   579  C CA  . TRP A 1 78  ? 5.222   -9.860  10.394  1.00 11.99 ? 92  TRP A CA  1 
ATOM   580  C C   . TRP A 1 78  ? 6.683   -10.257 10.246  1.00 12.35 ? 92  TRP A C   1 
ATOM   581  O O   . TRP A 1 78  ? 7.037   -10.966 9.296   1.00 12.13 ? 92  TRP A O   1 
ATOM   582  C CB  . TRP A 1 78  ? 4.434   -11.100 10.813  1.00 12.37 ? 92  TRP A CB  1 
ATOM   583  C CG  . TRP A 1 78  ? 2.986   -10.931 11.178  1.00 11.98 ? 92  TRP A CG  1 
ATOM   584  C CD1 . TRP A 1 78  ? 2.461   -10.922 12.448  1.00 12.69 ? 92  TRP A CD1 1 
ATOM   585  C CD2 . TRP A 1 78  ? 1.866   -10.834 10.286  1.00 12.11 ? 92  TRP A CD2 1 
ATOM   586  N NE1 . TRP A 1 78  ? 1.092   -10.804 12.395  1.00 13.47 ? 92  TRP A NE1 1 
ATOM   587  C CE2 . TRP A 1 78  ? 0.700   -10.751 11.080  1.00 12.21 ? 92  TRP A CE2 1 
ATOM   588  C CE3 . TRP A 1 78  ? 1.737   -10.790 8.894   1.00 13.03 ? 92  TRP A CE3 1 
ATOM   589  C CZ2 . TRP A 1 78  ? -0.576  -10.641 10.524  1.00 12.82 ? 92  TRP A CZ2 1 
ATOM   590  C CZ3 . TRP A 1 78  ? 0.471   -10.682 8.347   1.00 13.51 ? 92  TRP A CZ3 1 
ATOM   591  C CH2 . TRP A 1 78  ? -0.670  -10.612 9.154   1.00 12.59 ? 92  TRP A CH2 1 
ATOM   592  N N   . SER A 1 79  ? 7.518   -9.820  11.186  1.00 12.59 ? 93  SER A N   1 
ATOM   593  C CA  . SER A 1 79  ? 8.938   -10.148 11.230  1.00 13.21 ? 93  SER A CA  1 
ATOM   594  C C   . SER A 1 79  ? 9.223   -10.785 12.584  1.00 12.60 ? 93  SER A C   1 
ATOM   595  O O   . SER A 1 79  ? 8.855   -10.221 13.619  1.00 13.38 ? 93  SER A O   1 
ATOM   596  C CB  . SER A 1 79  ? 9.757   -8.863  11.087  1.00 14.65 ? 93  SER A CB  1 
ATOM   597  O OG  . SER A 1 79  ? 11.149  -9.105  11.061  1.00 15.55 ? 93  SER A OG  1 
ATOM   598  N N   . GLY A 1 80  ? 9.858   -11.948 12.594  1.00 12.93 ? 94  GLY A N   1 
ATOM   599  C CA  . GLY A 1 80  ? 10.042  -12.620 13.866  1.00 13.82 ? 94  GLY A CA  1 
ATOM   600  C C   . GLY A 1 80  ? 10.936  -13.833 13.807  1.00 13.86 ? 94  GLY A C   1 
ATOM   601  O O   . GLY A 1 80  ? 11.754  -13.983 12.899  1.00 13.24 ? 94  GLY A O   1 
ATOM   602  N N   . GLN A 1 81  ? 10.790  -14.693 14.817  1.00 14.84 ? 95  GLN A N   1 
ATOM   603  C CA  . GLN A 1 81  ? 11.545  -15.934 14.842  1.00 15.70 ? 95  GLN A CA  1 
ATOM   604  C C   . GLN A 1 81  ? 10.724  -17.063 15.450  1.00 15.42 ? 95  GLN A C   1 
ATOM   605  O O   . GLN A 1 81  ? 9.917   -16.854 16.361  1.00 15.35 ? 95  GLN A O   1 
ATOM   606  C CB  . GLN A 1 81  ? 12.891  -15.790 15.558  1.00 16.70 ? 95  GLN A CB  1 
ATOM   607  C CG  . GLN A 1 81  ? 12.794  -15.294 16.987  1.00 18.40 ? 95  GLN A CG  1 
ATOM   608  C CD  . GLN A 1 81  ? 14.158  -15.151 17.635  1.00 18.68 ? 95  GLN A CD  1 
ATOM   609  O OE1 . GLN A 1 81  ? 15.034  -15.991 17.447  1.00 18.54 ? 95  GLN A OE1 1 
ATOM   610  N NE2 . GLN A 1 81  ? 14.346  -14.080 18.401  1.00 19.10 ? 95  GLN A NE2 1 
ATOM   611  N N   . TYR A 1 82  ? 10.935  -18.258 14.906  1.00 16.04 ? 96  TYR A N   1 
ATOM   612  C CA  . TYR A 1 82  ? 10.360  -19.493 15.415  1.00 17.24 ? 96  TYR A CA  1 
ATOM   613  C C   . TYR A 1 82  ? 11.281  -20.037 16.496  1.00 18.49 ? 96  TYR A C   1 
ATOM   614  O O   . TYR A 1 82  ? 12.497  -20.123 16.299  1.00 18.11 ? 96  TYR A O   1 
ATOM   615  C CB  . TYR A 1 82  ? 10.246  -20.497 14.265  1.00 17.96 ? 96  TYR A CB  1 
ATOM   616  C CG  . TYR A 1 82  ? 10.043  -21.942 14.677  1.00 18.34 ? 96  TYR A CG  1 
ATOM   617  C CD1 . TYR A 1 82  ? 8.771   -22.446 14.923  1.00 19.37 ? 96  TYR A CD1 1 
ATOM   618  C CD2 . TYR A 1 82  ? 11.119  -22.819 14.762  1.00 20.54 ? 96  TYR A CD2 1 
ATOM   619  C CE1 . TYR A 1 82  ? 8.578   -23.774 15.280  1.00 20.28 ? 96  TYR A CE1 1 
ATOM   620  C CE2 . TYR A 1 82  ? 10.938  -24.145 15.126  1.00 21.41 ? 96  TYR A CE2 1 
ATOM   621  C CZ  . TYR A 1 82  ? 9.668   -24.615 15.380  1.00 20.74 ? 96  TYR A CZ  1 
ATOM   622  O OH  . TYR A 1 82  ? 9.496   -25.935 15.727  1.00 22.75 ? 96  TYR A OH  1 
ATOM   623  N N   . VAL A 1 83  ? 10.706  -20.363 17.649  1.00 20.09 ? 97  VAL A N   1 
ATOM   624  C CA  . VAL A 1 83  ? 11.445  -20.926 18.767  1.00 24.29 ? 97  VAL A CA  1 
ATOM   625  C C   . VAL A 1 83  ? 10.865  -22.308 19.028  1.00 27.13 ? 97  VAL A C   1 
ATOM   626  O O   . VAL A 1 83  ? 9.699   -22.435 19.427  1.00 27.87 ? 97  VAL A O   1 
ATOM   627  C CB  . VAL A 1 83  ? 11.351  -20.035 20.011  1.00 25.05 ? 97  VAL A CB  1 
ATOM   628  C CG1 . VAL A 1 83  ? 12.147  -20.630 21.174  1.00 26.46 ? 97  VAL A CG1 1 
ATOM   629  C CG2 . VAL A 1 83  ? 11.837  -18.628 19.679  1.00 26.36 ? 97  VAL A CG2 1 
ATOM   630  N N   . GLY A 1 84  ? 11.663  -23.345 18.784  1.00 29.46 ? 98  GLY A N   1 
ATOM   631  C CA  . GLY A 1 84  ? 11.221  -24.691 19.064  1.00 31.99 ? 98  GLY A CA  1 
ATOM   632  C C   . GLY A 1 84  ? 11.253  -25.004 20.545  1.00 34.01 ? 98  GLY A C   1 
ATOM   633  O O   . GLY A 1 84  ? 11.874  -24.305 21.345  1.00 35.00 ? 98  GLY A O   1 
ATOM   634  N N   . GLY A 1 85  ? 10.566  -26.075 20.909  1.00 35.46 ? 99  GLY A N   1 
ATOM   635  C CA  . GLY A 1 85  ? 10.514  -26.486 22.295  1.00 36.69 ? 99  GLY A CA  1 
ATOM   636  C C   . GLY A 1 85  ? 9.253   -27.280 22.568  1.00 37.90 ? 99  GLY A C   1 
ATOM   637  O O   . GLY A 1 85  ? 8.504   -27.631 21.656  1.00 39.02 ? 99  GLY A O   1 
ATOM   638  N N   . ALA A 1 86  ? 9.041   -27.556 23.857  1.00 38.01 ? 100 ALA A N   1 
ATOM   639  C CA  . ALA A 1 86  ? 7.839   -28.270 24.266  1.00 38.83 ? 100 ALA A CA  1 
ATOM   640  C C   . ALA A 1 86  ? 6.582   -27.498 23.899  1.00 38.16 ? 100 ALA A C   1 
ATOM   641  O O   . ALA A 1 86  ? 5.548   -28.102 23.591  1.00 40.22 ? 100 ALA A O   1 
ATOM   642  C CB  . ALA A 1 86  ? 7.878   -28.544 25.769  1.00 39.27 ? 100 ALA A CB  1 
ATOM   643  N N   . GLU A 1 87  ? 6.648   -26.170 23.928  1.00 35.02 ? 101 GLU A N   1 
ATOM   644  C CA  . GLU A 1 87  ? 5.559   -25.307 23.490  1.00 33.19 ? 101 GLU A CA  1 
ATOM   645  C C   . GLU A 1 87  ? 6.148   -24.431 22.391  1.00 30.57 ? 101 GLU A C   1 
ATOM   646  O O   . GLU A 1 87  ? 6.685   -23.354 22.663  1.00 30.49 ? 101 GLU A O   1 
ATOM   647  C CB  . GLU A 1 87  ? 5.011   -24.468 24.639  1.00 33.36 ? 101 GLU A CB  1 
ATOM   648  C CG  . GLU A 1 87  ? 3.829   -23.595 24.240  0.45 34.30 ? 101 GLU A CG  1 
ATOM   649  C CD  . GLU A 1 87  ? 3.569   -22.468 25.220  0.50 35.29 ? 101 GLU A CD  1 
ATOM   650  O OE1 . GLU A 1 87  ? 4.463   -22.167 26.039  0.43 35.71 ? 101 GLU A OE1 1 
ATOM   651  O OE2 . GLU A 1 87  ? 2.470   -21.876 25.167  0.62 35.85 ? 101 GLU A OE2 1 
ATOM   652  N N   . ALA A 1 88  ? 6.063   -24.909 21.151  1.00 28.89 ? 102 ALA A N   1 
ATOM   653  C CA  . ALA A 1 88  ? 6.608   -24.168 20.022  1.00 27.41 ? 102 ALA A CA  1 
ATOM   654  C C   . ALA A 1 88  ? 5.901   -22.827 19.873  1.00 24.68 ? 102 ALA A C   1 
ATOM   655  O O   . ALA A 1 88  ? 4.704   -22.694 20.144  1.00 24.39 ? 102 ALA A O   1 
ATOM   656  C CB  . ALA A 1 88  ? 6.461   -24.982 18.737  1.00 28.86 ? 102 ALA A CB  1 
ATOM   657  N N   . ARG A 1 89  ? 6.654   -21.828 19.417  1.00 22.86 ? 103 ARG A N   1 
ATOM   658  C CA  . ARG A 1 89  ? 6.171   -20.457 19.410  1.00 20.76 ? 103 ARG A CA  1 
ATOM   659  C C   . ARG A 1 89  ? 6.824   -19.709 18.257  1.00 19.51 ? 103 ARG A C   1 
ATOM   660  O O   . ARG A 1 89  ? 7.988   -19.954 17.929  1.00 20.71 ? 103 ARG A O   1 
ATOM   661  C CB  . ARG A 1 89  ? 6.516   -19.780 20.745  1.00 22.88 ? 103 ARG A CB  1 
ATOM   662  C CG  . ARG A 1 89  ? 5.704   -18.543 21.069  0.82 23.69 ? 103 ARG A CG  1 
ATOM   663  C CD  . ARG A 1 89  ? 5.910   -18.093 22.525  1.00 24.18 ? 103 ARG A CD  1 
ATOM   664  N NE  . ARG A 1 89  ? 5.172   -18.904 23.490  1.00 25.07 ? 103 ARG A NE  1 
ATOM   665  C CZ  . ARG A 1 89  ? 3.927   -18.666 23.884  0.54 24.63 ? 103 ARG A CZ  1 
ATOM   666  N NH1 . ARG A 1 89  ? 3.228   -17.655 23.400  0.60 24.31 ? 103 ARG A NH1 1 
ATOM   667  N NH2 . ARG A 1 89  ? 3.367   -19.465 24.788  0.68 25.15 ? 103 ARG A NH2 1 
ATOM   668  N N   . ILE A 1 90  ? 6.067   -18.810 17.639  1.00 16.98 ? 104 ILE A N   1 
ATOM   669  C CA  . ILE A 1 90  ? 6.612   -17.827 16.706  1.00 16.34 ? 104 ILE A CA  1 
ATOM   670  C C   . ILE A 1 90  ? 6.336   -16.450 17.300  1.00 16.91 ? 104 ILE A C   1 
ATOM   671  O O   . ILE A 1 90  ? 5.173   -16.056 17.448  1.00 17.83 ? 104 ILE A O   1 
ATOM   672  C CB  . ILE A 1 90  ? 6.012   -17.966 15.293  1.00 15.76 ? 104 ILE A CB  1 
ATOM   673  C CG1 . ILE A 1 90  ? 6.341   -19.339 14.698  1.00 16.57 ? 104 ILE A CG1 1 
ATOM   674  C CG2 . ILE A 1 90  ? 6.536   -16.875 14.368  1.00 16.86 ? 104 ILE A CG2 1 
ATOM   675  C CD1 . ILE A 1 90  ? 5.636   -19.639 13.376  1.00 17.44 ? 104 ILE A CD1 1 
ATOM   676  N N   . ASN A 1 91  ? 7.397   -15.732 17.653  1.00 15.84 ? 105 ASN A N   1 
ATOM   677  C CA  . ASN A 1 91  ? 7.286   -14.398 18.234  1.00 15.23 ? 105 ASN A CA  1 
ATOM   678  C C   . ASN A 1 91  ? 7.559   -13.368 17.152  1.00 14.73 ? 105 ASN A C   1 
ATOM   679  O O   . ASN A 1 91  ? 8.613   -13.413 16.507  1.00 15.37 ? 105 ASN A O   1 
ATOM   680  C CB  . ASN A 1 91  ? 8.319   -14.216 19.341  1.00 17.68 ? 105 ASN A CB  1 
ATOM   681  C CG  . ASN A 1 91  ? 8.069   -15.119 20.506  1.00 22.44 ? 105 ASN A CG  1 
ATOM   682  O OD1 . ASN A 1 91  ? 6.922   -15.345 20.889  1.00 23.43 ? 105 ASN A OD1 1 
ATOM   683  N ND2 . ASN A 1 91  ? 9.138   -15.664 21.070  1.00 24.54 ? 105 ASN A ND2 1 
ATOM   684  N N   . THR A 1 92  ? 6.624   -12.439 16.961  1.00 14.05 ? 106 THR A N   1 
ATOM   685  C CA  . THR A 1 92  ? 6.731   -11.479 15.870  1.00 12.78 ? 106 THR A CA  1 
ATOM   686  C C   . THR A 1 92  ? 6.479   -10.054 16.346  1.00 12.31 ? 106 THR A C   1 
ATOM   687  O O   . THR A 1 92  ? 5.832   -9.801  17.374  1.00 13.35 ? 106 THR A O   1 
ATOM   688  C CB  . THR A 1 92  ? 5.727   -11.747 14.733  1.00 13.19 ? 106 THR A CB  1 
ATOM   689  O OG1 . THR A 1 92  ? 4.398   -11.412 15.165  1.00 13.76 ? 106 THR A OG1 1 
ATOM   690  C CG2 . THR A 1 92  ? 5.774   -13.188 14.258  1.00 13.86 ? 106 THR A CG2 1 
ATOM   691  N N   . GLN A 1 93  ? 6.987   -9.119  15.547  1.00 12.83 ? 107 GLN A N   1 
ATOM   692  C CA  . GLN A 1 93  ? 6.524   -7.742  15.534  1.00 13.12 ? 107 GLN A CA  1 
ATOM   693  C C   . GLN A 1 93  ? 6.006   -7.461  14.134  1.00 12.06 ? 107 GLN A C   1 
ATOM   694  O O   . GLN A 1 93  ? 6.414   -8.123  13.174  1.00 12.55 ? 107 GLN A O   1 
ATOM   695  C CB  . GLN A 1 93  ? 7.634   -6.789  15.963  1.00 15.72 ? 107 GLN A CB  1 
ATOM   696  C CG  . GLN A 1 93  ? 7.954   -7.031  17.441  1.00 18.43 ? 107 GLN A CG  1 
ATOM   697  C CD  . GLN A 1 93  ? 8.969   -6.075  18.026  1.00 20.74 ? 107 GLN A CD  1 
ATOM   698  O OE1 . GLN A 1 93  ? 8.611   -5.030  18.562  1.00 23.32 ? 107 GLN A OE1 1 
ATOM   699  N NE2 . GLN A 1 93  ? 10.247  -6.443  17.952  1.00 20.37 ? 107 GLN A NE2 1 
ATOM   700  N N   . TRP A 1 94  ? 5.042   -6.551  14.025  1.00 11.81 ? 108 TRP A N   1 
ATOM   701  C CA  . TRP A 1 94  ? 4.374   -6.341  12.747  1.00 11.39 ? 108 TRP A CA  1 
ATOM   702  C C   . TRP A 1 94  ? 4.203   -4.862  12.441  1.00 11.29 ? 108 TRP A C   1 
ATOM   703  O O   . TRP A 1 94  ? 4.139   -4.021  13.346  1.00 11.59 ? 108 TRP A O   1 
ATOM   704  C CB  . TRP A 1 94  ? 3.029   -7.089  12.641  1.00 12.15 ? 108 TRP A CB  1 
ATOM   705  C CG  . TRP A 1 94  ? 2.039   -6.846  13.755  1.00 11.86 ? 108 TRP A CG  1 
ATOM   706  C CD1 . TRP A 1 94  ? 1.780   -7.679  14.819  1.00 12.57 ? 108 TRP A CD1 1 
ATOM   707  C CD2 . TRP A 1 94  ? 1.153   -5.724  13.900  1.00 12.54 ? 108 TRP A CD2 1 
ATOM   708  N NE1 . TRP A 1 94  ? 0.806   -7.125  15.622  1.00 12.81 ? 108 TRP A NE1 1 
ATOM   709  C CE2 . TRP A 1 94  ? 0.397   -5.934  15.075  1.00 12.82 ? 108 TRP A CE2 1 
ATOM   710  C CE3 . TRP A 1 94  ? 0.927   -4.560  13.148  1.00 12.64 ? 108 TRP A CE3 1 
ATOM   711  C CZ2 . TRP A 1 94  ? -0.566  -5.020  15.518  1.00 13.58 ? 108 TRP A CZ2 1 
ATOM   712  C CZ3 . TRP A 1 94  ? -0.032  -3.664  13.580  1.00 12.88 ? 108 TRP A CZ3 1 
ATOM   713  C CH2 . TRP A 1 94  ? -0.765  -3.895  14.759  1.00 13.16 ? 108 TRP A CH2 1 
ATOM   714  N N   . LEU A 1 95  ? 4.137   -4.569  11.138  1.00 10.80 ? 109 LEU A N   1 
ATOM   715  C CA  . LEU A 1 95  ? 3.842   -3.248  10.597  1.00 10.64 ? 109 LEU A CA  1 
ATOM   716  C C   . LEU A 1 95  ? 2.650   -3.381  9.664   1.00 11.84 ? 109 LEU A C   1 
ATOM   717  O O   . LEU A 1 95  ? 2.630   -4.265  8.802   1.00 13.75 ? 109 LEU A O   1 
ATOM   718  C CB  . LEU A 1 95  ? 5.034   -2.696  9.811   1.00 11.27 ? 109 LEU A CB  1 
ATOM   719  C CG  . LEU A 1 95  ? 6.326   -2.419  10.576  1.00 12.35 ? 109 LEU A CG  1 
ATOM   720  C CD1 . LEU A 1 95  ? 7.461   -2.073  9.613   1.00 13.26 ? 109 LEU A CD1 1 
ATOM   721  C CD2 . LEU A 1 95  ? 6.109   -1.300  11.589  1.00 13.80 ? 109 LEU A CD2 1 
ATOM   722  N N   . LEU A 1 96  ? 1.676   -2.487  9.815   1.00 11.59 ? 110 LEU A N   1 
ATOM   723  C CA  . LEU A 1 96  ? 0.434   -2.511  9.048   1.00 11.60 ? 110 LEU A CA  1 
ATOM   724  C C   . LEU A 1 96  ? 0.290   -1.156  8.362   1.00 11.37 ? 110 LEU A C   1 
ATOM   725  O O   . LEU A 1 96  ? 0.014   -0.148  9.025   1.00 12.10 ? 110 LEU A O   1 
ATOM   726  C CB  . LEU A 1 96  ? -0.742  -2.822  9.982   1.00 12.66 ? 110 LEU A CB  1 
ATOM   727  C CG  . LEU A 1 96  ? -2.186  -2.494  9.592   1.00 14.15 ? 110 LEU A CG  1 
ATOM   728  C CD1 . LEU A 1 96  ? -2.578  -3.118  8.259   1.00 13.85 ? 110 LEU A CD1 1 
ATOM   729  C CD2 . LEU A 1 96  ? -3.106  -2.976  10.713  1.00 15.96 ? 110 LEU A CD2 1 
ATOM   730  N N   . THR A 1 97  ? 0.509   -1.116  7.043   1.00 11.34 ? 111 THR A N   1 
ATOM   731  C CA  . THR A 1 97  ? 0.447   0.125   6.286   1.00 11.34 ? 111 THR A CA  1 
ATOM   732  C C   . THR A 1 97  ? -0.822  0.147   5.449   1.00 12.10 ? 111 THR A C   1 
ATOM   733  O O   . THR A 1 97  ? -1.113  -0.812  4.727   1.00 13.22 ? 111 THR A O   1 
ATOM   734  C CB  . THR A 1 97  ? 1.661   0.288   5.365   1.00 12.45 ? 111 THR A CB  1 
ATOM   735  O OG1 . THR A 1 97  ? 2.868   0.221   6.129   1.00 14.18 ? 111 THR A OG1 1 
ATOM   736  C CG2 . THR A 1 97  ? 1.610   1.640   4.656   1.00 14.26 ? 111 THR A CG2 1 
ATOM   737  N N   . SER A 1 98  ? -1.565  1.244   5.542   1.00 12.64 ? 112 SER A N   1 
ATOM   738  C CA  . SER A 1 98  ? -2.732  1.485   4.708   1.00 13.40 ? 112 SER A CA  1 
ATOM   739  C C   . SER A 1 98  ? -2.352  2.423   3.571   1.00 14.02 ? 112 SER A C   1 
ATOM   740  O O   . SER A 1 98  ? -1.511  3.312   3.731   1.00 16.14 ? 112 SER A O   1 
ATOM   741  C CB  . SER A 1 98  ? -3.831  2.161   5.533   1.00 14.93 ? 112 SER A CB  1 
ATOM   742  O OG  . SER A 1 98  ? -4.277  1.328   6.592   1.00 15.84 ? 112 SER A OG  1 
ATOM   743  N N   . GLY A 1 99  ? -2.980  2.225   2.414   1.00 14.84 ? 113 GLY A N   1 
ATOM   744  C CA  . GLY A 1 99  ? -2.839  3.198   1.340   1.00 15.44 ? 113 GLY A CA  1 
ATOM   745  C C   . GLY A 1 99  ? -3.518  4.505   1.719   1.00 17.35 ? 113 GLY A C   1 
ATOM   746  O O   . GLY A 1 99  ? -4.689  4.517   2.116   1.00 20.01 ? 113 GLY A O   1 
ATOM   747  N N   . THR A 1 100 ? -2.781  5.615   1.608   1.00 16.78 ? 114 THR A N   1 
ATOM   748  C CA  . THR A 1 100 ? -3.272  6.925   2.021   1.00 16.28 ? 114 THR A CA  1 
ATOM   749  C C   . THR A 1 100 ? -2.860  7.974   0.998   1.00 16.69 ? 114 THR A C   1 
ATOM   750  O O   . THR A 1 100 ? -2.022  7.734   0.120   1.00 16.80 ? 114 THR A O   1 
ATOM   751  C CB  . THR A 1 100 ? -2.682  7.367   3.369   1.00 16.93 ? 114 THR A CB  1 
ATOM   752  O OG1 . THR A 1 100 ? -1.277  7.611   3.222   1.00 16.86 ? 114 THR A OG1 1 
ATOM   753  C CG2 . THR A 1 100 ? -2.894  6.314   4.435   1.00 17.12 ? 114 THR A CG2 1 
ATOM   754  N N   . THR A 1 101 ? -3.437  9.165   1.140   1.00 18.20 ? 115 THR A N   1 
ATOM   755  C CA  . THR A 1 101 ? -2.914  10.324  0.434   1.00 18.51 ? 115 THR A CA  1 
ATOM   756  C C   . THR A 1 101 ? -1.587  10.745  1.061   1.00 17.56 ? 115 THR A C   1 
ATOM   757  O O   . THR A 1 101 ? -1.217  10.303  2.155   1.00 16.36 ? 115 THR A O   1 
ATOM   758  C CB  . THR A 1 101 ? -3.891  11.498  0.518   1.00 20.99 ? 115 THR A CB  1 
ATOM   759  O OG1 . THR A 1 101 ? -4.059  11.874  1.891   1.00 21.09 ? 115 THR A OG1 1 
ATOM   760  C CG2 . THR A 1 101 ? -5.240  11.129  -0.078  1.00 22.50 ? 115 THR A CG2 1 
ATOM   761  N N   . GLU A 1 102 ? -0.868  11.630  0.368   1.00 18.26 ? 116 GLU A N   1 
ATOM   762  C CA  . GLU A 1 102 ? 0.398   12.115  0.906   1.00 19.46 ? 116 GLU A CA  1 
ATOM   763  C C   . GLU A 1 102 ? 0.185   12.873  2.212   1.00 18.68 ? 116 GLU A C   1 
ATOM   764  O O   . GLU A 1 102 ? 0.962   12.717  3.164   1.00 19.82 ? 116 GLU A O   1 
ATOM   765  C CB  . GLU A 1 102 ? 1.126   12.978  -0.128  1.00 22.17 ? 116 GLU A CB  1 
ATOM   766  C CG  . GLU A 1 102 ? 2.531   13.402  0.304   1.00 27.42 ? 116 GLU A CG  1 
ATOM   767  C CD  . GLU A 1 102 ? 3.413   12.228  0.733   1.00 32.07 ? 116 GLU A CD  1 
ATOM   768  O OE1 . GLU A 1 102 ? 3.326   11.140  0.118   1.00 34.26 ? 116 GLU A OE1 1 
ATOM   769  O OE2 . GLU A 1 102 ? 4.199   12.395  1.694   1.00 34.21 ? 116 GLU A OE2 1 
ATOM   770  N N   . ALA A 1 103 ? -0.889  13.666  2.290   1.00 18.67 ? 117 ALA A N   1 
ATOM   771  C CA  . ALA A 1 103 ? -1.157  14.443  3.495   1.00 19.31 ? 117 ALA A CA  1 
ATOM   772  C C   . ALA A 1 103 ? -1.432  13.554  4.700   1.00 18.88 ? 117 ALA A C   1 
ATOM   773  O O   . ALA A 1 103 ? -1.234  13.987  5.839   1.00 20.32 ? 117 ALA A O   1 
ATOM   774  C CB  . ALA A 1 103 ? -2.335  15.389  3.266   1.00 19.87 ? 117 ALA A CB  1 
ATOM   775  N N   . ASN A 1 104 ? -1.907  12.330  4.480   1.00 18.27 ? 118 ASN A N   1 
ATOM   776  C CA  . ASN A 1 104 ? -2.215  11.406  5.566   1.00 18.80 ? 118 ASN A CA  1 
ATOM   777  C C   . ASN A 1 104 ? -1.154  10.329  5.759   1.00 17.14 ? 118 ASN A C   1 
ATOM   778  O O   . ASN A 1 104 ? -1.330  9.447   6.613   1.00 16.91 ? 118 ASN A O   1 
ATOM   779  C CB  . ASN A 1 104 ? -3.583  10.760  5.345   1.00 20.45 ? 118 ASN A CB  1 
ATOM   780  C CG  . ASN A 1 104 ? -4.726  11.743  5.508   1.00 21.68 ? 118 ASN A CG  1 
ATOM   781  O OD1 . ASN A 1 104 ? -4.647  12.692  6.297   1.00 22.65 ? 118 ASN A OD1 1 
ATOM   782  N ND2 . ASN A 1 104 ? -5.803  11.520  4.761   1.00 22.43 ? 118 ASN A ND2 1 
ATOM   783  N N   . ALA A 1 105 ? -0.049  10.384  5.005   1.00 17.19 ? 119 ALA A N   1 
ATOM   784  C CA  . ALA A 1 105 ? 0.938   9.308   5.065   1.00 16.14 ? 119 ALA A CA  1 
ATOM   785  C C   . ALA A 1 105 ? 1.605   9.220   6.433   1.00 15.68 ? 119 ALA A C   1 
ATOM   786  O O   . ALA A 1 105 ? 2.036   8.135   6.842   1.00 15.79 ? 119 ALA A O   1 
ATOM   787  C CB  . ALA A 1 105 ? 1.991   9.487   3.972   1.00 16.81 ? 119 ALA A CB  1 
ATOM   788  N N   . TRP A 1 106 ? 1.694   10.337  7.160   1.00 16.42 ? 120 TRP A N   1 
ATOM   789  C CA  . TRP A 1 106 ? 2.362   10.305  8.457   1.00 16.64 ? 120 TRP A CA  1 
ATOM   790  C C   . TRP A 1 106 ? 1.691   9.329   9.417   1.00 17.31 ? 120 TRP A C   1 
ATOM   791  O O   . TRP A 1 106 ? 2.351   8.797   10.318  1.00 18.05 ? 120 TRP A O   1 
ATOM   792  C CB  . TRP A 1 106 ? 2.420   11.711  9.055   1.00 18.82 ? 120 TRP A CB  1 
ATOM   793  C CG  . TRP A 1 106 ? 1.092   12.226  9.533   1.00 19.78 ? 120 TRP A CG  1 
ATOM   794  C CD1 . TRP A 1 106 ? 0.162   12.908  8.798   1.00 20.08 ? 120 TRP A CD1 1 
ATOM   795  C CD2 . TRP A 1 106 ? 0.554   12.113  10.857  1.00 20.26 ? 120 TRP A CD2 1 
ATOM   796  N NE1 . TRP A 1 106 ? -0.925  13.217  9.582   1.00 21.22 ? 120 TRP A NE1 1 
ATOM   797  C CE2 . TRP A 1 106 ? -0.710  12.736  10.850  1.00 20.23 ? 120 TRP A CE2 1 
ATOM   798  C CE3 . TRP A 1 106 ? 1.014   11.531  12.047  1.00 21.05 ? 120 TRP A CE3 1 
ATOM   799  C CZ2 . TRP A 1 106 ? -1.516  12.806  11.993  1.00 21.59 ? 120 TRP A CZ2 1 
ATOM   800  C CZ3 . TRP A 1 106 ? 0.213   11.600  13.177  1.00 21.62 ? 120 TRP A CZ3 1 
ATOM   801  C CH2 . TRP A 1 106 ? -1.038  12.230  13.141  1.00 22.29 ? 120 TRP A CH2 1 
ATOM   802  N N   . LYS A 1 107 ? 0.389   9.086   9.249   1.00 17.06 ? 121 LYS A N   1 
ATOM   803  C CA  . LYS A 1 107 ? -0.370  8.190   10.117  1.00 17.41 ? 121 LYS A CA  1 
ATOM   804  C C   . LYS A 1 107 ? -0.815  6.921   9.387   1.00 16.12 ? 121 LYS A C   1 
ATOM   805  O O   . LYS A 1 107 ? -1.842  6.327   9.724   1.00 17.14 ? 121 LYS A O   1 
ATOM   806  C CB  . LYS A 1 107 ? -1.555  8.924   10.750  1.00 18.42 ? 121 LYS A CB  1 
ATOM   807  C CG  . LYS A 1 107 ? -2.521  9.538   9.743   1.00 19.70 ? 121 LYS A CG  1 
ATOM   808  C CD  . LYS A 1 107 ? -3.716  10.189  10.422  1.00 21.69 ? 121 LYS A CD  1 
ATOM   809  C CE  . LYS A 1 107 ? -4.628  10.864  9.400   1.00 24.49 ? 121 LYS A CE  1 
ATOM   810  N NZ  . LYS A 1 107 ? -5.809  11.516  10.035  1.00 27.10 ? 121 LYS A NZ  1 
ATOM   811  N N   . SER A 1 108 ? -0.036  6.481   8.398   1.00 14.44 ? 122 SER A N   1 
ATOM   812  C CA  . SER A 1 108 ? -0.396  5.327   7.579   1.00 14.14 ? 122 SER A CA  1 
ATOM   813  C C   . SER A 1 108 ? 0.002   3.983   8.176   1.00 12.72 ? 122 SER A C   1 
ATOM   814  O O   . SER A 1 108 ? -0.461  2.955   7.664   1.00 13.46 ? 122 SER A O   1 
ATOM   815  C CB  . SER A 1 108 ? 0.275   5.434   6.207   1.00 16.44 ? 122 SER A CB  1 
ATOM   816  O OG  . SER A 1 108 ? 1.681   5.355   6.359   1.00 18.05 ? 122 SER A OG  1 
ATOM   817  N N   . THR A 1 109 ? 0.847   3.948   9.211   1.00 12.67 ? 123 THR A N   1 
ATOM   818  C CA  . THR A 1 109 ? 1.471   2.694   9.642   1.00 12.79 ? 123 THR A CA  1 
ATOM   819  C C   . THR A 1 109 ? 1.248   2.426   11.130  1.00 12.32 ? 123 THR A C   1 
ATOM   820  O O   . THR A 1 109 ? 1.695   3.201   11.989  1.00 13.22 ? 123 THR A O   1 
ATOM   821  C CB  . THR A 1 109 ? 2.970   2.686   9.321   1.00 13.63 ? 123 THR A CB  1 
ATOM   822  O OG1 . THR A 1 109 ? 3.167   3.052   7.949   1.00 15.01 ? 123 THR A OG1 1 
ATOM   823  C CG2 . THR A 1 109 ? 3.557   1.297   9.518   1.00 13.30 ? 123 THR A CG2 1 
ATOM   824  N N   . LEU A 1 110 ? 0.574   1.320   11.431  1.00 11.88 ? 124 LEU A N   1 
ATOM   825  C CA  . LEU A 1 110 ? 0.440   0.814   12.793  1.00 12.33 ? 124 LEU A CA  1 
ATOM   826  C C   . LEU A 1 110 ? 1.530   -0.213  13.082  1.00 11.69 ? 124 LEU A C   1 
ATOM   827  O O   . LEU A 1 110 ? 2.017   -0.902  12.177  1.00 12.00 ? 124 LEU A O   1 
ATOM   828  C CB  . LEU A 1 110 ? -0.930  0.157   12.962  1.00 13.15 ? 124 LEU A CB  1 
ATOM   829  C CG  . LEU A 1 110 ? -2.143  1.089   12.904  1.00 14.38 ? 124 LEU A CG  1 
ATOM   830  C CD1 . LEU A 1 110 ? -3.420  0.315   12.626  1.00 15.78 ? 124 LEU A CD1 1 
ATOM   831  C CD2 . LEU A 1 110 ? -2.278  1.885   14.195  1.00 14.70 ? 124 LEU A CD2 1 
ATOM   832  N N   . VAL A 1 111 ? 1.884   -0.345  14.368  1.00 12.38 ? 125 VAL A N   1 
ATOM   833  C CA  . VAL A 1 111 ? 2.902   -1.295  14.823  1.00 12.34 ? 125 VAL A CA  1 
ATOM   834  C C   . VAL A 1 111 ? 2.380   -2.080  16.024  1.00 11.82 ? 125 VAL A C   1 
ATOM   835  O O   . VAL A 1 111 ? 1.650   -1.540  16.864  1.00 12.10 ? 125 VAL A O   1 
ATOM   836  C CB  . VAL A 1 111 ? 4.239   -0.583  15.153  1.00 13.16 ? 125 VAL A CB  1 
ATOM   837  C CG1 . VAL A 1 111 ? 4.068   0.440   16.276  1.00 14.12 ? 125 VAL A CG1 1 
ATOM   838  C CG2 . VAL A 1 111 ? 5.351   -1.575  15.474  1.00 13.77 ? 125 VAL A CG2 1 
ATOM   839  N N   . GLY A 1 112 ? 2.738   -3.355  16.096  1.00 12.36 ? 126 GLY A N   1 
ATOM   840  C CA  . GLY A 1 112 ? 2.380   -4.165  17.243  1.00 12.32 ? 126 GLY A CA  1 
ATOM   841  C C   . GLY A 1 112 ? 3.218   -5.422  17.295  1.00 12.69 ? 126 GLY A C   1 
ATOM   842  O O   . GLY A 1 112 ? 4.228   -5.551  16.599  1.00 12.81 ? 126 GLY A O   1 
ATOM   843  N N   . HIS A 1 113 ? 2.788   -6.350  18.145  1.00 13.54 ? 127 HIS A N   1 
ATOM   844  C CA  . HIS A 1 113 ? 3.480   -7.618  18.322  1.00 13.75 ? 127 HIS A CA  1 
ATOM   845  C C   . HIS A 1 113 ? 2.460   -8.736  18.462  1.00 13.75 ? 127 HIS A C   1 
ATOM   846  O O   . HIS A 1 113 ? 1.474   -8.594  19.190  1.00 16.06 ? 127 HIS A O   1 
ATOM   847  C CB  . HIS A 1 113 ? 4.405   -7.583  19.551  1.00 14.31 ? 127 HIS A CB  1 
ATOM   848  C CG  . HIS A 1 113 ? 3.767   -7.004  20.776  1.00 17.21 ? 127 HIS A CG  1 
ATOM   849  N ND1 . HIS A 1 113 ? 3.278   -7.782  21.804  1.00 19.92 ? 127 HIS A ND1 1 
ATOM   850  C CD2 . HIS A 1 113 ? 3.542   -5.719  21.140  1.00 18.26 ? 127 HIS A CD2 1 
ATOM   851  C CE1 . HIS A 1 113 ? 2.781   -7.002  22.748  1.00 20.32 ? 127 HIS A CE1 1 
ATOM   852  N NE2 . HIS A 1 113 ? 2.927   -5.746  22.369  1.00 20.43 ? 127 HIS A NE2 1 
ATOM   853  N N   . ASP A 1 114 ? 2.710   -9.846  17.769  1.00 13.06 ? 128 ASP A N   1 
ATOM   854  C CA  . ASP A 1 114 ? 1.873   -11.042 17.824  1.00 13.38 ? 128 ASP A CA  1 
ATOM   855  C C   . ASP A 1 114 ? 2.713   -12.247 18.213  1.00 13.98 ? 128 ASP A C   1 
ATOM   856  O O   . ASP A 1 114 ? 3.819   -12.439 17.700  1.00 15.39 ? 128 ASP A O   1 
ATOM   857  C CB  . ASP A 1 114 ? 1.264   -11.384 16.452  1.00 13.44 ? 128 ASP A CB  1 
ATOM   858  C CG  . ASP A 1 114 ? 0.079   -10.518 16.088  1.00 14.11 ? 128 ASP A CG  1 
ATOM   859  O OD1 . ASP A 1 114 ? -0.330  -9.665  16.902  1.00 16.12 ? 128 ASP A OD1 1 
ATOM   860  O OD2 . ASP A 1 114 ? -0.445  -10.697 14.966  1.00 13.93 ? 128 ASP A OD2 1 
ATOM   861  N N   A THR A 1 115 ? 2.204   -13.066 19.127  0.79 14.48 ? 129 THR A N   1 
ATOM   862  N N   B THR A 1 115 ? 2.157   -13.080 19.088  0.21 14.62 ? 129 THR A N   1 
ATOM   863  C CA  A THR A 1 115 ? 2.843   -14.338 19.428  0.79 15.60 ? 129 THR A CA  1 
ATOM   864  C CA  B THR A 1 115 ? 2.766   -14.342 19.478  0.21 15.34 ? 129 THR A CA  1 
ATOM   865  C C   A THR A 1 115 ? 1.925   -15.479 19.003  0.79 15.95 ? 129 THR A C   1 
ATOM   866  C C   B THR A 1 115 ? 1.887   -15.481 18.978  0.21 15.39 ? 129 THR A C   1 
ATOM   867  O O   A THR A 1 115 ? 0.724   -15.461 19.292  0.79 16.17 ? 129 THR A O   1 
ATOM   868  O O   B THR A 1 115 ? 0.680   -15.494 19.240  0.21 15.50 ? 129 THR A O   1 
ATOM   869  C CB  A THR A 1 115 ? 3.290   -14.444 20.889  0.79 17.75 ? 129 THR A CB  1 
ATOM   870  C CB  B THR A 1 115 ? 2.896   -14.424 20.998  0.21 16.69 ? 129 THR A CB  1 
ATOM   871  O OG1 A THR A 1 115 ? 3.991   -15.682 21.064  0.79 19.60 ? 129 THR A OG1 1 
ATOM   872  O OG1 B THR A 1 115 ? 3.371   -13.176 21.514  0.21 16.86 ? 129 THR A OG1 1 
ATOM   873  C CG2 A THR A 1 115 ? 2.103   -14.362 21.830  0.79 18.96 ? 129 THR A CG2 1 
ATOM   874  C CG2 B THR A 1 115 ? 3.881   -15.480 21.352  0.21 17.83 ? 129 THR A CG2 1 
ATOM   875  N N   . PHE A 1 116 ? 2.487   -16.429 18.258  1.00 15.17 ? 130 PHE A N   1 
ATOM   876  C CA  . PHE A 1 116 ? 1.753   -17.544 17.671  1.00 16.56 ? 130 PHE A CA  1 
ATOM   877  C C   . PHE A 1 116 ? 2.128   -18.849 18.365  1.00 18.06 ? 130 PHE A C   1 
ATOM   878  O O   . PHE A 1 116 ? 3.304   -19.109 18.637  1.00 18.52 ? 130 PHE A O   1 
ATOM   879  C CB  . PHE A 1 116 ? 2.038   -17.665 16.166  1.00 16.60 ? 130 PHE A CB  1 
ATOM   880  C CG  . PHE A 1 116 ? 1.553   -16.490 15.357  1.00 15.67 ? 130 PHE A CG  1 
ATOM   881  C CD1 . PHE A 1 116 ? 2.358   -15.368 15.180  1.00 15.40 ? 130 PHE A CD1 1 
ATOM   882  C CD2 . PHE A 1 116 ? 0.288   -16.502 14.784  1.00 15.22 ? 130 PHE A CD2 1 
ATOM   883  C CE1 . PHE A 1 116 ? 1.912   -14.280 14.418  1.00 15.01 ? 130 PHE A CE1 1 
ATOM   884  C CE2 . PHE A 1 116 ? -0.168  -15.414 14.033  1.00 15.77 ? 130 PHE A CE2 1 
ATOM   885  C CZ  . PHE A 1 116 ? 0.642   -14.297 13.867  1.00 15.15 ? 130 PHE A CZ  1 
ATOM   886  N N   . THR A 1 117 ? 1.123   -19.677 18.635  1.00 18.56 ? 131 THR A N   1 
ATOM   887  C CA  . THR A 1 117 ? 1.332   -21.006 19.187  1.00 19.61 ? 131 THR A CA  1 
ATOM   888  C C   . THR A 1 117 ? 0.521   -22.004 18.377  1.00 20.29 ? 131 THR A C   1 
ATOM   889  O O   . THR A 1 117 ? -0.480  -21.654 17.743  1.00 17.92 ? 131 THR A O   1 
ATOM   890  C CB  . THR A 1 117 ? 0.923   -21.071 20.665  1.00 22.05 ? 131 THR A CB  1 
ATOM   891  O OG1 . THR A 1 117 ? -0.438  -20.645 20.804  1.00 25.25 ? 131 THR A OG1 1 
ATOM   892  C CG2 . THR A 1 117 ? 1.809   -20.161 21.485  1.00 21.29 ? 131 THR A CG2 1 
ATOM   893  N N   . LYS A 1 118 ? 0.967   -23.261 18.399  1.00 21.52 ? 132 LYS A N   1 
ATOM   894  C CA  . LYS A 1 118 ? 0.205   -24.310 17.734  1.00 21.91 ? 132 LYS A CA  1 
ATOM   895  C C   . LYS A 1 118 ? -0.994  -24.761 18.551  1.00 23.22 ? 132 LYS A C   1 
ATOM   896  O O   . LYS A 1 118 ? -1.867  -25.456 18.017  1.00 24.45 ? 132 LYS A O   1 
ATOM   897  C CB  . LYS A 1 118 ? 1.100   -25.495 17.350  1.00 22.21 ? 132 LYS A CB  1 
ATOM   898  C CG  . LYS A 1 118 ? 2.026   -25.205 16.167  1.00 23.13 ? 132 LYS A CG  1 
ATOM   899  C CD  . LYS A 1 118 ? 2.722   -26.477 15.692  1.00 24.60 ? 132 LYS A CD  1 
ATOM   900  C CE  . LYS A 1 118 ? 3.582   -26.217 14.459  1.00 26.16 ? 132 LYS A CE  1 
ATOM   901  N NZ  . LYS A 1 118 ? 4.370   -27.408 14.026  1.00 27.37 ? 132 LYS A NZ  1 
ATOM   902  N N   . VAL A 1 119 ? -1.053  -24.381 19.820  1.00 23.89 ? 133 VAL A N   1 
ATOM   903  C CA  . VAL A 1 119 ? -2.228  -24.583 20.653  1.00 23.34 ? 133 VAL A CA  1 
ATOM   904  C C   . VAL A 1 119 ? -2.953  -23.250 20.742  1.00 23.24 ? 133 VAL A C   1 
ATOM   905  O O   . VAL A 1 119 ? -2.339  -22.219 21.051  1.00 25.68 ? 133 VAL A O   1 
ATOM   906  C CB  . VAL A 1 119 ? -1.838  -25.106 22.047  1.00 23.59 ? 133 VAL A CB  1 
ATOM   907  C CG1 . VAL A 1 119 ? -3.070  -25.223 22.941  1.00 23.02 ? 133 VAL A CG1 1 
ATOM   908  C CG2 . VAL A 1 119 ? -1.131  -26.456 21.929  1.00 26.20 ? 133 VAL A CG2 1 
ATOM   909  N N   . LYS A 1 120 ? -4.244  -23.263 20.457  1.00 21.69 ? 134 LYS A N   1 
ATOM   910  C CA  . LYS A 1 120 ? -5.035  -22.040 20.500  1.00 22.85 ? 134 LYS A CA  1 
ATOM   911  C C   . LYS A 1 120 ? -5.190  -21.579 21.948  1.00 25.51 ? 134 LYS A C   1 
ATOM   912  O O   . LYS A 1 120 ? -5.662  -22.351 22.791  1.00 26.45 ? 134 LYS A O   1 
ATOM   913  C CB  . LYS A 1 120 ? -6.403  -22.333 19.902  1.00 24.07 ? 134 LYS A CB  1 
ATOM   914  C CG  . LYS A 1 120 ? -7.272  -21.113 19.657  1.00 26.70 ? 134 LYS A CG  1 
ATOM   915  C CD  . LYS A 1 120 ? -8.433  -21.474 18.745  1.00 29.50 ? 134 LYS A CD  1 
ATOM   916  C CE  . LYS A 1 120 ? -9.280  -20.266 18.394  1.00 32.47 ? 134 LYS A CE  1 
ATOM   917  N NZ  . LYS A 1 120 ? -10.202 -20.568 17.259  1.00 34.50 ? 134 LYS A NZ  1 
ATOM   918  N N   . PRO A 1 121 ? -4.815  -20.331 22.280  1.00 27.10 ? 135 PRO A N   1 
ATOM   919  C CA  . PRO A 1 121 ? -4.939  -19.886 23.674  1.00 28.55 ? 135 PRO A CA  1 
ATOM   920  C C   . PRO A 1 121 ? -6.389  -19.640 24.082  1.00 30.83 ? 135 PRO A C   1 
ATOM   921  O O   . PRO A 1 121 ? -7.260  -19.439 23.233  1.00 30.62 ? 135 PRO A O   1 
ATOM   922  C CB  . PRO A 1 121 ? -4.147  -18.577 23.691  1.00 28.05 ? 135 PRO A CB  1 
ATOM   923  C CG  . PRO A 1 121 ? -4.253  -18.064 22.308  1.00 27.71 ? 135 PRO A CG  1 
ATOM   924  C CD  . PRO A 1 121 ? -4.261  -19.279 21.407  1.00 27.29 ? 135 PRO A CD  1 
ATOM   925  O OXT . PRO A 1 121 ? -6.723  -19.650 25.275  1.00 33.00 ? 135 PRO A OXT 1 
ATOM   926  N N   . GLY B 1 2   ? -3.407  5.969   39.601  1.00 24.39 ? 16  GLY B N   1 
ATOM   927  C CA  . GLY B 1 2   ? -2.968  4.590   39.720  1.00 22.17 ? 16  GLY B CA  1 
ATOM   928  C C   . GLY B 1 2   ? -1.587  4.332   39.145  1.00 19.15 ? 16  GLY B C   1 
ATOM   929  O O   . GLY B 1 2   ? -1.073  3.215   39.224  1.00 20.27 ? 16  GLY B O   1 
ATOM   930  N N   . ILE B 1 3   ? -0.978  5.370   38.569  1.00 17.87 ? 17  ILE B N   1 
ATOM   931  C CA  . ILE B 1 3   ? 0.324   5.209   37.926  1.00 15.67 ? 17  ILE B CA  1 
ATOM   932  C C   . ILE B 1 3   ? 1.466   5.283   38.939  1.00 15.87 ? 17  ILE B C   1 
ATOM   933  O O   . ILE B 1 3   ? 2.426   4.511   38.862  1.00 16.07 ? 17  ILE B O   1 
ATOM   934  C CB  . ILE B 1 3   ? 0.490   6.235   36.790  1.00 16.25 ? 17  ILE B CB  1 
ATOM   935  C CG1 . ILE B 1 3   ? -0.490  5.939   35.649  1.00 18.19 ? 17  ILE B CG1 1 
ATOM   936  C CG2 . ILE B 1 3   ? 1.928   6.242   36.281  1.00 15.09 ? 17  ILE B CG2 1 
ATOM   937  C CD1 . ILE B 1 3   ? -0.520  7.015   34.592  1.00 19.17 ? 17  ILE B CD1 1 
ATOM   938  N N   . THR B 1 4   ? 1.397   6.211   39.892  1.00 15.20 ? 18  THR B N   1 
ATOM   939  C CA  . THR B 1 4   ? 2.485   6.366   40.854  1.00 15.34 ? 18  THR B CA  1 
ATOM   940  C C   . THR B 1 4   ? 2.765   5.053   41.577  1.00 15.90 ? 18  THR B C   1 
ATOM   941  O O   . THR B 1 4   ? 1.841   4.386   42.052  1.00 16.46 ? 18  THR B O   1 
ATOM   942  C CB  . THR B 1 4   ? 2.130   7.461   41.865  1.00 16.33 ? 18  THR B CB  1 
ATOM   943  O OG1 . THR B 1 4   ? 2.073   8.724   41.195  1.00 16.30 ? 18  THR B OG1 1 
ATOM   944  C CG2 . THR B 1 4   ? 3.178   7.542   42.969  1.00 17.63 ? 18  THR B CG2 1 
ATOM   945  N N   . GLY B 1 5   ? 4.045   4.679   41.643  1.00 15.25 ? 19  GLY B N   1 
ATOM   946  C CA  . GLY B 1 5   ? 4.466   3.519   42.400  1.00 15.54 ? 19  GLY B CA  1 
ATOM   947  C C   . GLY B 1 5   ? 5.545   2.741   41.670  1.00 15.00 ? 19  GLY B C   1 
ATOM   948  O O   . GLY B 1 5   ? 6.155   3.223   40.713  1.00 15.88 ? 19  GLY B O   1 
ATOM   949  N N   . THR B 1 6   ? 5.745   1.507   42.120  1.00 15.56 ? 20  THR B N   1 
ATOM   950  C CA  . THR B 1 6   ? 6.791   0.624   41.622  1.00 16.06 ? 20  THR B CA  1 
ATOM   951  C C   . THR B 1 6   ? 6.199   -0.389  40.649  1.00 16.31 ? 20  THR B C   1 
ATOM   952  O O   . THR B 1 6   ? 5.171   -1.012  40.933  1.00 18.26 ? 20  THR B O   1 
ATOM   953  C CB  . THR B 1 6   ? 7.454   -0.090  42.801  1.00 18.21 ? 20  THR B CB  1 
ATOM   954  O OG1 . THR B 1 6   ? 7.993   0.889   43.694  1.00 19.98 ? 20  THR B OG1 1 
ATOM   955  C CG2 . THR B 1 6   ? 8.568   -1.009  42.330  1.00 18.56 ? 20  THR B CG2 1 
ATOM   956  N N   . TRP B 1 7   ? 6.844   -0.541  39.494  1.00 15.42 ? 21  TRP B N   1 
ATOM   957  C CA  . TRP B 1 7   ? 6.378   -1.433  38.446  1.00 15.63 ? 21  TRP B CA  1 
ATOM   958  C C   . TRP B 1 7   ? 7.516   -2.351  38.025  1.00 15.58 ? 21  TRP B C   1 
ATOM   959  O O   . TRP B 1 7   ? 8.692   -2.000  38.146  1.00 15.70 ? 21  TRP B O   1 
ATOM   960  C CB  . TRP B 1 7   ? 5.893   -0.626  37.231  1.00 15.00 ? 21  TRP B CB  1 
ATOM   961  C CG  . TRP B 1 7   ? 4.657   0.203   37.491  1.00 14.18 ? 21  TRP B CG  1 
ATOM   962  C CD1 . TRP B 1 7   ? 4.598   1.472   38.015  1.00 14.04 ? 21  TRP B CD1 1 
ATOM   963  C CD2 . TRP B 1 7   ? 3.306   -0.181  37.219  1.00 14.64 ? 21  TRP B CD2 1 
ATOM   964  N NE1 . TRP B 1 7   ? 3.288   1.889   38.084  1.00 14.94 ? 21  TRP B NE1 1 
ATOM   965  C CE2 . TRP B 1 7   ? 2.477   0.896   37.597  1.00 14.85 ? 21  TRP B CE2 1 
ATOM   966  C CE3 . TRP B 1 7   ? 2.716   -1.339  36.690  1.00 15.22 ? 21  TRP B CE3 1 
ATOM   967  C CZ2 . TRP B 1 7   ? 1.089   0.854   37.452  1.00 15.28 ? 21  TRP B CZ2 1 
ATOM   968  C CZ3 . TRP B 1 7   ? 1.338   -1.381  36.550  1.00 15.48 ? 21  TRP B CZ3 1 
ATOM   969  C CH2 . TRP B 1 7   ? 0.540   -0.292  36.927  1.00 15.66 ? 21  TRP B CH2 1 
ATOM   970  N N   . TYR B 1 8   ? 7.153   -3.524  37.503  1.00 16.01 ? 22  TYR B N   1 
ATOM   971  C CA  . TYR B 1 8   ? 8.104   -4.573  37.155  1.00 17.02 ? 22  TYR B CA  1 
ATOM   972  C C   . TYR B 1 8   ? 7.762   -5.077  35.758  1.00 17.45 ? 22  TYR B C   1 
ATOM   973  O O   . TYR B 1 8   ? 6.597   -5.369  35.478  1.00 17.37 ? 22  TYR B O   1 
ATOM   974  C CB  . TYR B 1 8   ? 8.000   -5.734  38.161  1.00 19.52 ? 22  TYR B CB  1 
ATOM   975  C CG  . TYR B 1 8   ? 8.110   -5.304  39.615  1.00 19.90 ? 22  TYR B CG  1 
ATOM   976  C CD1 . TYR B 1 8   ? 9.342   -5.212  40.235  1.00 22.58 ? 22  TYR B CD1 1 
ATOM   977  C CD2 . TYR B 1 8   ? 6.975   -4.989  40.361  1.00 20.73 ? 22  TYR B CD2 1 
ATOM   978  C CE1 . TYR B 1 8   ? 9.446   -4.825  41.567  1.00 21.98 ? 22  TYR B CE1 1 
ATOM   979  C CE2 . TYR B 1 8   ? 7.071   -4.594  41.685  1.00 21.90 ? 22  TYR B CE2 1 
ATOM   980  C CZ  . TYR B 1 8   ? 8.307   -4.514  42.276  1.00 22.80 ? 22  TYR B CZ  1 
ATOM   981  O OH  . TYR B 1 8   ? 8.404   -4.128  43.592  1.00 24.58 ? 22  TYR B OH  1 
ATOM   982  N N   . ASN B 1 9   ? 8.763   -5.191  34.884  1.00 18.31 ? 23  ASN B N   1 
ATOM   983  C CA  . ASN B 1 9   ? 8.499   -5.746  33.562  1.00 19.47 ? 23  ASN B CA  1 
ATOM   984  C C   . ASN B 1 9   ? 8.794   -7.245  33.517  1.00 20.86 ? 23  ASN B C   1 
ATOM   985  O O   . ASN B 1 9   ? 9.197   -7.864  34.506  1.00 22.19 ? 23  ASN B O   1 
ATOM   986  C CB  . ASN B 1 9   ? 9.171   -4.940  32.442  1.00 20.23 ? 23  ASN B CB  1 
ATOM   987  C CG  . ASN B 1 9   ? 10.655  -5.252  32.270  1.00 21.72 ? 23  ASN B CG  1 
ATOM   988  O OD1 . ASN B 1 9   ? 11.231  -6.074  32.982  1.00 21.89 ? 23  ASN B OD1 1 
ATOM   989  N ND2 . ASN B 1 9   ? 11.280  -4.581  31.300  1.00 23.33 ? 23  ASN B ND2 1 
ATOM   990  N N   . GLN B 1 10  ? 8.610   -7.825  32.330  1.00 20.85 ? 24  GLN B N   1 
ATOM   991  C CA  . GLN B 1 10  ? 8.722   -9.260  32.111  1.00 23.00 ? 24  GLN B CA  1 
ATOM   992  C C   . GLN B 1 10  ? 10.161  -9.761  32.133  1.00 25.95 ? 24  GLN B C   1 
ATOM   993  O O   . GLN B 1 10  ? 10.371  -10.979 32.176  1.00 28.24 ? 24  GLN B O   1 
ATOM   994  C CB  . GLN B 1 10  ? 8.041   -9.621  30.784  1.00 22.17 ? 24  GLN B CB  1 
ATOM   995  C CG  . GLN B 1 10  ? 8.827   -9.267  29.496  1.00 21.68 ? 24  GLN B CG  1 
ATOM   996  C CD  . GLN B 1 10  ? 8.859   -7.776  29.132  1.00 20.96 ? 24  GLN B CD  1 
ATOM   997  O OE1 . GLN B 1 10  ? 8.181   -6.940  29.734  1.00 18.99 ? 24  GLN B OE1 1 
ATOM   998  N NE2 . GLN B 1 10  ? 9.653   -7.449  28.115  1.00 22.55 ? 24  GLN B NE2 1 
ATOM   999  N N   . LEU B 1 11  ? 11.153  -8.868  32.116  1.00 26.73 ? 25  LEU B N   1 
ATOM   1000 C CA  . LEU B 1 11  ? 12.553  -9.278  32.072  1.00 28.36 ? 25  LEU B CA  1 
ATOM   1001 C C   . LEU B 1 11  ? 13.336  -8.920  33.327  1.00 28.15 ? 25  LEU B C   1 
ATOM   1002 O O   . LEU B 1 11  ? 14.571  -8.991  33.314  1.00 29.87 ? 25  LEU B O   1 
ATOM   1003 C CB  . LEU B 1 11  ? 13.248  -8.716  30.832  1.00 30.42 ? 25  LEU B CB  1 
ATOM   1004 C CG  . LEU B 1 11  ? 12.688  -9.258  29.517  1.00 31.74 ? 25  LEU B CG  1 
ATOM   1005 C CD1 . LEU B 1 11  ? 13.546  -8.816  28.347  1.00 31.80 ? 25  LEU B CD1 1 
ATOM   1006 C CD2 . LEU B 1 11  ? 12.568  -10.777 29.559  1.00 31.59 ? 25  LEU B CD2 1 
ATOM   1007 N N   . GLY B 1 12  ? 12.666  -8.537  34.406  1.00 26.27 ? 26  GLY B N   1 
ATOM   1008 C CA  . GLY B 1 12  ? 13.360  -8.262  35.644  1.00 24.51 ? 26  GLY B CA  1 
ATOM   1009 C C   . GLY B 1 12  ? 13.750  -6.818  35.872  1.00 22.79 ? 26  GLY B C   1 
ATOM   1010 O O   . GLY B 1 12  ? 14.452  -6.533  36.849  1.00 23.81 ? 26  GLY B O   1 
ATOM   1011 N N   . SER B 1 13  ? 13.327  -5.899  35.012  1.00 20.32 ? 27  SER B N   1 
ATOM   1012 C CA  . SER B 1 13  ? 13.578  -4.488  35.255  1.00 20.37 ? 27  SER B CA  1 
ATOM   1013 C C   . SER B 1 13  ? 12.532  -3.928  36.213  1.00 18.97 ? 27  SER B C   1 
ATOM   1014 O O   . SER B 1 13  ? 11.417  -4.442  36.320  1.00 20.91 ? 27  SER B O   1 
ATOM   1015 C CB  . SER B 1 13  ? 13.547  -3.707  33.940  1.00 21.14 ? 27  SER B CB  1 
ATOM   1016 O OG  . SER B 1 13  ? 14.598  -4.124  33.081  1.00 23.61 ? 27  SER B OG  1 
ATOM   1017 N N   A THR B 1 14  ? 12.908  -2.829  36.883  0.68 17.18 ? 28  THR B N   1 
ATOM   1018 N N   B THR B 1 14  ? 12.906  -2.888  36.941  0.32 17.98 ? 28  THR B N   1 
ATOM   1019 C CA  A THR B 1 14  ? 12.091  -2.145  37.885  0.68 17.51 ? 28  THR B CA  1 
ATOM   1020 C CA  B THR B 1 14  ? 11.953  -2.274  37.849  0.32 17.38 ? 28  THR B CA  1 
ATOM   1021 C C   A THR B 1 14  ? 11.914  -0.682  37.485  0.68 16.22 ? 28  THR B C   1 
ATOM   1022 C C   B THR B 1 14  ? 12.134  -0.770  37.802  0.32 15.60 ? 28  THR B C   1 
ATOM   1023 O O   A THR B 1 14  ? 12.899  0.021   37.236  0.68 16.30 ? 28  THR B O   1 
ATOM   1024 O O   B THR B 1 14  ? 13.252  -0.272  37.633  0.32 15.72 ? 28  THR B O   1 
ATOM   1025 C CB  A THR B 1 14  ? 12.742  -2.232  39.279  0.68 19.03 ? 28  THR B CB  1 
ATOM   1026 C CB  B THR B 1 14  ? 12.082  -2.817  39.286  0.32 18.59 ? 28  THR B CB  1 
ATOM   1027 O OG1 A THR B 1 14  ? 12.849  -3.603  39.677  0.68 20.79 ? 28  THR B OG1 1 
ATOM   1028 O OG1 B THR B 1 14  ? 10.994  -2.337  40.088  0.32 19.17 ? 28  THR B OG1 1 
ATOM   1029 C CG2 A THR B 1 14  ? 11.918  -1.489  40.325  0.68 18.92 ? 28  THR B CG2 1 
ATOM   1030 C CG2 B THR B 1 14  ? 13.397  -2.389  39.912  0.32 18.65 ? 28  THR B CG2 1 
ATOM   1031 N N   A PHE B 1 15  ? 10.660  -0.226  37.461  0.68 15.02 ? 29  PHE B N   1 
ATOM   1032 N N   B PHE B 1 15  ? 11.024  -0.051  37.916  0.32 13.46 ? 29  PHE B N   1 
ATOM   1033 C CA  A PHE B 1 15  ? 10.255  1.091   36.968  0.68 15.49 ? 29  PHE B CA  1 
ATOM   1034 C CA  B PHE B 1 15  ? 11.086  1.396   37.971  0.32 12.45 ? 29  PHE B CA  1 
ATOM   1035 C C   A PHE B 1 15  ? 9.575   1.804   38.133  0.68 15.11 ? 29  PHE B C   1 
ATOM   1036 C C   B PHE B 1 15  ? 10.122  1.915   39.023  0.32 12.90 ? 29  PHE B C   1 
ATOM   1037 O O   A PHE B 1 15  ? 8.482   1.410   38.553  0.68 16.60 ? 29  PHE B O   1 
ATOM   1038 O O   B PHE B 1 15  ? 9.091   1.300   39.306  0.32 12.16 ? 29  PHE B O   1 
ATOM   1039 C CB  A PHE B 1 15  ? 9.299   0.878   35.788  0.68 16.07 ? 29  PHE B CB  1 
ATOM   1040 C CB  B PHE B 1 15  ? 10.897  2.061   36.590  0.32 11.50 ? 29  PHE B CB  1 
ATOM   1041 C CG  A PHE B 1 15  ? 8.630   2.129   35.254  0.68 15.54 ? 29  PHE B CG  1 
ATOM   1042 C CG  B PHE B 1 15  ? 9.484   2.056   36.066  0.32 11.57 ? 29  PHE B CG  1 
ATOM   1043 C CD1 A PHE B 1 15  ? 9.315   3.325   35.111  0.68 15.56 ? 29  PHE B CD1 1 
ATOM   1044 C CD1 B PHE B 1 15  ? 8.569   3.017   36.472  0.32 12.17 ? 29  PHE B CD1 1 
ATOM   1045 C CD2 A PHE B 1 15  ? 7.308   2.070   34.819  0.68 15.88 ? 29  PHE B CD2 1 
ATOM   1046 C CD2 B PHE B 1 15  ? 9.092   1.132   35.111  0.32 12.24 ? 29  PHE B CD2 1 
ATOM   1047 C CE1 A PHE B 1 15  ? 8.676   4.445   34.584  0.68 16.02 ? 29  PHE B CE1 1 
ATOM   1048 C CE1 B PHE B 1 15  ? 7.278   3.027   35.965  0.32 12.43 ? 29  PHE B CE1 1 
ATOM   1049 C CE2 A PHE B 1 15  ? 6.672   3.177   34.296  0.68 16.24 ? 29  PHE B CE2 1 
ATOM   1050 C CE2 B PHE B 1 15  ? 7.803   1.140   34.604  0.32 12.79 ? 29  PHE B CE2 1 
ATOM   1051 C CZ  A PHE B 1 15  ? 7.355   4.369   34.185  0.68 15.26 ? 29  PHE B CZ  1 
ATOM   1052 C CZ  B PHE B 1 15  ? 6.898   2.088   35.029  0.32 12.53 ? 29  PHE B CZ  1 
ATOM   1053 N N   A ILE B 1 16  ? 10.229  2.831   38.676  0.68 15.31 ? 30  ILE B N   1 
ATOM   1054 N N   B ILE B 1 16  ? 10.489  3.045   39.615  0.32 14.25 ? 30  ILE B N   1 
ATOM   1055 C CA  A ILE B 1 16  ? 9.762   3.539   39.868  0.68 15.05 ? 30  ILE B CA  1 
ATOM   1056 C CA  B ILE B 1 16  ? 9.656   3.752   40.576  0.32 15.76 ? 30  ILE B CA  1 
ATOM   1057 C C   A ILE B 1 16  ? 9.360   4.943   39.438  0.68 14.37 ? 30  ILE B C   1 
ATOM   1058 C C   B ILE B 1 16  ? 9.330   5.111   39.968  0.32 14.96 ? 30  ILE B C   1 
ATOM   1059 O O   A ILE B 1 16  ? 10.208  5.710   38.966  0.68 15.11 ? 30  ILE B O   1 
ATOM   1060 O O   B ILE B 1 16  ? 10.209  5.970   39.827  0.32 15.15 ? 30  ILE B O   1 
ATOM   1061 C CB  A ILE B 1 16  ? 10.865  3.594   40.934  0.68 16.09 ? 30  ILE B CB  1 
ATOM   1062 C CB  B ILE B 1 16  ? 10.330  3.876   41.951  0.32 17.83 ? 30  ILE B CB  1 
ATOM   1063 C CG1 A ILE B 1 16  ? 11.187  2.182   41.435  0.68 17.69 ? 30  ILE B CG1 1 
ATOM   1064 C CG1 B ILE B 1 16  ? 11.756  4.408   41.814  0.32 19.85 ? 30  ILE B CG1 1 
ATOM   1065 C CG2 A ILE B 1 16  ? 10.461  4.517   42.085  0.68 15.59 ? 30  ILE B CG2 1 
ATOM   1066 C CG2 B ILE B 1 16  ? 10.390  2.522   42.620  0.32 18.35 ? 30  ILE B CG2 1 
ATOM   1067 C CD1 A ILE B 1 16  ? 12.386  2.116   42.348  0.68 19.79 ? 30  ILE B CD1 1 
ATOM   1068 C CD1 B ILE B 1 16  ? 12.124  5.470   42.822  0.32 20.59 ? 30  ILE B CD1 1 
ATOM   1069 N N   . VAL B 1 17  ? 8.074   5.290   39.582  1.00 14.44 ? 31  VAL B N   1 
ATOM   1070 C CA  . VAL B 1 17  ? 7.576   6.501   38.932  1.00 14.74 ? 31  VAL B CA  1 
ATOM   1071 C C   . VAL B 1 17  ? 6.611   7.253   39.841  1.00 14.66 ? 31  VAL B C   1 
ATOM   1072 O O   . VAL B 1 17  ? 5.873   6.661   40.641  1.00 15.66 ? 31  VAL B O   1 
ATOM   1073 C CB  . VAL B 1 17  ? 6.913   6.158   37.576  1.00 15.69 ? 31  VAL B CB  1 
ATOM   1074 C CG1 . VAL B 1 17  ? 5.590   5.450   37.791  1.00 15.97 ? 31  VAL B CG1 1 
ATOM   1075 C CG2 . VAL B 1 17  ? 6.731   7.412   36.714  1.00 15.51 ? 31  VAL B CG2 1 
ATOM   1076 N N   . THR B 1 18  ? 6.630   8.580   39.716  1.00 15.80 ? 32  THR B N   1 
ATOM   1077 C CA  . THR B 1 18  ? 5.611   9.450   40.288  1.00 16.39 ? 32  THR B CA  1 
ATOM   1078 C C   . THR B 1 18  ? 4.907   10.169  39.144  1.00 15.57 ? 32  THR B C   1 
ATOM   1079 O O   . THR B 1 18  ? 5.565   10.747  38.267  1.00 15.11 ? 32  THR B O   1 
ATOM   1080 C CB  . THR B 1 18  ? 6.218   10.473  41.254  1.00 18.89 ? 32  THR B CB  1 
ATOM   1081 O OG1 . THR B 1 18  ? 6.858   9.783   42.330  1.00 20.92 ? 32  THR B OG1 1 
ATOM   1082 C CG2 . THR B 1 18  ? 5.133   11.394  41.821  1.00 18.29 ? 32  THR B CG2 1 
ATOM   1083 N N   . ALA B 1 19  ? 3.578   10.108  39.143  1.00 15.47 ? 33  ALA B N   1 
ATOM   1084 C CA  . ALA B 1 19  ? 2.746   10.816  38.177  1.00 15.78 ? 33  ALA B CA  1 
ATOM   1085 C C   . ALA B 1 19  ? 2.284   12.119  38.823  1.00 16.30 ? 33  ALA B C   1 
ATOM   1086 O O   . ALA B 1 19  ? 1.457   12.108  39.745  1.00 18.80 ? 33  ALA B O   1 
ATOM   1087 C CB  . ALA B 1 19  ? 1.566   9.938   37.758  1.00 16.54 ? 33  ALA B CB  1 
ATOM   1088 N N   . GLY B 1 20  ? 2.845   13.242  38.362  1.00 16.18 ? 34  GLY B N   1 
ATOM   1089 C CA  . GLY B 1 20  ? 2.544   14.524  38.961  1.00 17.35 ? 34  GLY B CA  1 
ATOM   1090 C C   . GLY B 1 20  ? 1.247   15.114  38.451  1.00 16.97 ? 34  GLY B C   1 
ATOM   1091 O O   . GLY B 1 20  ? 0.755   14.771  37.376  1.00 15.58 ? 34  GLY B O   1 
ATOM   1092 N N   . ALA B 1 21  ? 0.697   16.048  39.233  1.00 17.97 ? 35  ALA B N   1 
ATOM   1093 C CA  . ALA B 1 21  ? -0.579  16.653  38.871  1.00 19.22 ? 35  ALA B CA  1 
ATOM   1094 C C   . ALA B 1 21  ? -0.516  17.404  37.543  1.00 19.50 ? 35  ALA B C   1 
ATOM   1095 O O   . ALA B 1 21  ? -1.555  17.590  36.904  1.00 21.19 ? 35  ALA B O   1 
ATOM   1096 C CB  . ALA B 1 21  ? -1.065  17.577  39.996  1.00 20.02 ? 35  ALA B CB  1 
ATOM   1097 N N   . ASP B 1 22  ? 0.671   17.820  37.107  1.00 17.29 ? 36  ASP B N   1 
ATOM   1098 C CA  . ASP B 1 22  ? 0.829   18.583  35.876  1.00 17.86 ? 36  ASP B CA  1 
ATOM   1099 C C   . ASP B 1 22  ? 1.069   17.712  34.646  1.00 16.65 ? 36  ASP B C   1 
ATOM   1100 O O   . ASP B 1 22  ? 1.381   18.256  33.581  1.00 17.23 ? 36  ASP B O   1 
ATOM   1101 C CB  . ASP B 1 22  ? 1.972   19.590  36.025  1.00 20.66 ? 36  ASP B CB  1 
ATOM   1102 C CG  . ASP B 1 22  ? 3.320   18.920  36.241  1.00 22.66 ? 36  ASP B CG  1 
ATOM   1103 O OD1 . ASP B 1 22  ? 3.353   17.708  36.580  1.00 21.68 ? 36  ASP B OD1 1 
ATOM   1104 O OD2 . ASP B 1 22  ? 4.347   19.619  36.071  1.00 25.29 ? 36  ASP B OD2 1 
ATOM   1105 N N   . GLY B 1 23  ? 0.935   16.391  34.765  1.00 15.30 ? 37  GLY B N   1 
ATOM   1106 C CA  . GLY B 1 23  ? 1.191   15.493  33.655  1.00 14.22 ? 37  GLY B CA  1 
ATOM   1107 C C   . GLY B 1 23  ? 2.602   14.958  33.582  1.00 13.37 ? 37  GLY B C   1 
ATOM   1108 O O   . GLY B 1 23  ? 2.924   14.233  32.628  1.00 13.05 ? 37  GLY B O   1 
ATOM   1109 N N   . ALA B 1 24  ? 3.448   15.264  34.565  1.00 14.52 ? 38  ALA B N   1 
ATOM   1110 C CA  . ALA B 1 24  ? 4.838   14.831  34.533  1.00 15.65 ? 38  ALA B CA  1 
ATOM   1111 C C   . ALA B 1 24  ? 4.982   13.398  35.033  1.00 13.89 ? 38  ALA B C   1 
ATOM   1112 O O   . ALA B 1 24  ? 4.334   12.993  36.006  1.00 15.42 ? 38  ALA B O   1 
ATOM   1113 C CB  . ALA B 1 24  ? 5.687   15.752  35.411  1.00 16.51 ? 38  ALA B CB  1 
ATOM   1114 N N   . LEU B 1 25  ? 5.849   12.630  34.373  1.00 13.73 ? 39  LEU B N   1 
ATOM   1115 C CA  . LEU B 1 25  ? 6.363   11.379  34.916  1.00 13.74 ? 39  LEU B CA  1 
ATOM   1116 C C   . LEU B 1 25  ? 7.827   11.584  35.292  1.00 13.64 ? 39  LEU B C   1 
ATOM   1117 O O   . LEU B 1 25  ? 8.616   12.089  34.487  1.00 14.20 ? 39  LEU B O   1 
ATOM   1118 C CB  . LEU B 1 25  ? 6.233   10.229  33.907  1.00 14.33 ? 39  LEU B CB  1 
ATOM   1119 C CG  . LEU B 1 25  ? 4.840   9.787   33.441  1.00 13.60 ? 39  LEU B CG  1 
ATOM   1120 C CD1 . LEU B 1 25  ? 4.955   8.663   32.404  1.00 13.45 ? 39  LEU B CD1 1 
ATOM   1121 C CD2 . LEU B 1 25  ? 3.957   9.340   34.612  1.00 14.00 ? 39  LEU B CD2 1 
ATOM   1122 N N   . THR B 1 26  ? 8.184   11.226  36.527  1.00 14.15 ? 40  THR B N   1 
ATOM   1123 C CA  . THR B 1 26  ? 9.559   11.328  36.991  1.00 14.34 ? 40  THR B CA  1 
ATOM   1124 C C   . THR B 1 26  ? 9.871   10.078  37.798  1.00 14.03 ? 40  THR B C   1 
ATOM   1125 O O   . THR B 1 26  ? 8.972   9.475   38.387  1.00 17.54 ? 40  THR B O   1 
ATOM   1126 C CB  . THR B 1 26  ? 9.760   12.572  37.883  1.00 16.32 ? 40  THR B CB  1 
ATOM   1127 O OG1 . THR B 1 26  ? 8.894   12.469  39.012  1.00 19.06 ? 40  THR B OG1 1 
ATOM   1128 C CG2 . THR B 1 26  ? 9.413   13.857  37.147  1.00 16.10 ? 40  THR B CG2 1 
ATOM   1129 N N   . GLY B 1 27  ? 11.138  9.698   37.841  1.00 13.39 ? 41  GLY B N   1 
ATOM   1130 C CA  . GLY B 1 27  ? 11.490  8.533   38.643  1.00 13.94 ? 41  GLY B CA  1 
ATOM   1131 C C   . GLY B 1 27  ? 12.825  7.935   38.224  1.00 13.68 ? 41  GLY B C   1 
ATOM   1132 O O   . GLY B 1 27  ? 13.697  8.629   37.705  1.00 13.92 ? 41  GLY B O   1 
ATOM   1133 N N   . THR B 1 28  ? 12.970  6.639   38.502  1.00 14.43 ? 42  THR B N   1 
ATOM   1134 C CA  . THR B 1 28  ? 14.208  5.926   38.230  1.00 16.08 ? 42  THR B CA  1 
ATOM   1135 C C   . THR B 1 28  ? 13.887  4.574   37.615  1.00 16.36 ? 42  THR B C   1 
ATOM   1136 O O   . THR B 1 28  ? 12.825  3.998   37.860  1.00 17.39 ? 42  THR B O   1 
ATOM   1137 C CB  . THR B 1 28  ? 15.052  5.703   39.499  1.00 19.15 ? 42  THR B CB  1 
ATOM   1138 O OG1 . THR B 1 28  ? 14.388  4.769   40.352  1.00 22.25 ? 42  THR B OG1 1 
ATOM   1139 C CG2 . THR B 1 28  ? 15.275  7.006   40.244  1.00 18.77 ? 42  THR B CG2 1 
ATOM   1140 N N   . TYR B 1 29  ? 14.827  4.071   36.819  1.00 14.70 ? 43  TYR B N   1 
ATOM   1141 C CA  . TYR B 1 29  ? 14.690  2.796   36.127  1.00 15.11 ? 43  TYR B CA  1 
ATOM   1142 C C   . TYR B 1 29  ? 15.928  1.960   36.413  1.00 16.90 ? 43  TYR B C   1 
ATOM   1143 O O   . TYR B 1 29  ? 17.048  2.474   36.348  1.00 17.12 ? 43  TYR B O   1 
ATOM   1144 C CB  . TYR B 1 29  ? 14.561  3.031   34.614  1.00 15.03 ? 43  TYR B CB  1 
ATOM   1145 C CG  . TYR B 1 29  ? 13.958  1.864   33.851  1.00 14.98 ? 43  TYR B CG  1 
ATOM   1146 C CD1 . TYR B 1 29  ? 14.747  0.802   33.408  1.00 15.23 ? 43  TYR B CD1 1 
ATOM   1147 C CD2 . TYR B 1 29  ? 12.599  1.829   33.566  1.00 14.74 ? 43  TYR B CD2 1 
ATOM   1148 C CE1 . TYR B 1 29  ? 14.193  -0.271  32.709  1.00 16.11 ? 43  TYR B CE1 1 
ATOM   1149 C CE2 . TYR B 1 29  ? 12.036  0.768   32.873  1.00 14.75 ? 43  TYR B CE2 1 
ATOM   1150 C CZ  . TYR B 1 29  ? 12.839  -0.281  32.444  1.00 15.64 ? 43  TYR B CZ  1 
ATOM   1151 O OH  . TYR B 1 29  ? 12.287  -1.335  31.753  1.00 15.81 ? 43  TYR B OH  1 
ATOM   1152 N N   . GLU B 1 30  ? 15.728  0.684   36.753  1.00 19.38 ? 44  GLU B N   1 
ATOM   1153 C CA  A GLU B 1 30  ? 16.814  -0.270  36.953  0.34 21.65 ? 44  GLU B CA  1 
ATOM   1154 C CA  B GLU B 1 30  ? 16.819  -0.265  36.942  0.66 22.10 ? 44  GLU B CA  1 
ATOM   1155 C C   . GLU B 1 30  ? 16.615  -1.425  35.982  1.00 23.06 ? 44  GLU B C   1 
ATOM   1156 O O   . GLU B 1 30  ? 15.551  -2.053  35.978  1.00 22.85 ? 44  GLU B O   1 
ATOM   1157 C CB  A GLU B 1 30  ? 16.819  -0.792  38.390  0.34 23.15 ? 44  GLU B CB  1 
ATOM   1158 C CB  B GLU B 1 30  ? 16.859  -0.785  38.378  0.66 24.86 ? 44  GLU B CB  1 
ATOM   1159 C CG  A GLU B 1 30  ? 17.686  -2.025  38.596  0.34 24.09 ? 44  GLU B CG  1 
ATOM   1160 C CG  B GLU B 1 30  ? 16.096  0.082   39.338  0.66 26.54 ? 44  GLU B CG  1 
ATOM   1161 C CD  A GLU B 1 30  ? 19.120  -1.689  38.959  0.34 25.99 ? 44  GLU B CD  1 
ATOM   1162 C CD  B GLU B 1 30  ? 16.351  -0.250  40.789  0.66 28.17 ? 44  GLU B CD  1 
ATOM   1163 O OE1 A GLU B 1 30  ? 19.350  -1.205  40.088  0.34 26.66 ? 44  GLU B OE1 1 
ATOM   1164 O OE1 B GLU B 1 30  ? 17.223  -1.101  41.078  0.66 28.37 ? 44  GLU B OE1 1 
ATOM   1165 O OE2 A GLU B 1 30  ? 20.017  -1.911  38.119  0.34 26.70 ? 44  GLU B OE2 1 
ATOM   1166 O OE2 B GLU B 1 30  ? 15.669  0.353   41.643  0.66 28.84 ? 44  GLU B OE2 1 
ATOM   1167 N N   . SER B 1 31  ? 17.634  -1.709  35.173  1.00 25.54 ? 45  SER B N   1 
ATOM   1168 C CA  . SER B 1 31  ? 17.538  -2.690  34.101  1.00 27.72 ? 45  SER B CA  1 
ATOM   1169 C C   . SER B 1 31  ? 18.239  -3.996  34.456  1.00 29.91 ? 45  SER B C   1 
ATOM   1170 O O   . SER B 1 31  ? 19.287  -4.010  35.106  1.00 31.26 ? 45  SER B O   1 
ATOM   1171 C CB  . SER B 1 31  ? 18.148  -2.133  32.813  1.00 27.86 ? 45  SER B CB  1 
ATOM   1172 O OG  . SER B 1 31  ? 18.215  -3.127  31.799  1.00 28.26 ? 45  SER B OG  1 
ATOM   1173 N N   . ALA B 1 32  ? 17.653  -5.101  33.994  1.00 30.48 ? 46  ALA B N   1 
ATOM   1174 C CA  . ALA B 1 32  ? 18.267  -6.414  34.110  1.00 32.44 ? 46  ALA B CA  1 
ATOM   1175 C C   . ALA B 1 32  ? 19.017  -6.842  32.853  1.00 32.77 ? 46  ALA B C   1 
ATOM   1176 O O   . ALA B 1 32  ? 19.681  -7.885  32.876  1.00 33.90 ? 46  ALA B O   1 
ATOM   1177 C CB  . ALA B 1 32  ? 17.212  -7.469  34.468  1.00 33.79 ? 46  ALA B CB  1 
ATOM   1178 N N   . VAL B 1 33  ? 18.934  -6.070  31.767  1.00 31.40 ? 47  VAL B N   1 
ATOM   1179 C CA  . VAL B 1 33  ? 19.606  -6.389  30.513  1.00 30.44 ? 47  VAL B CA  1 
ATOM   1180 C C   . VAL B 1 33  ? 20.458  -5.201  30.077  1.00 30.45 ? 47  VAL B C   1 
ATOM   1181 O O   . VAL B 1 33  ? 20.423  -4.124  30.674  1.00 30.50 ? 47  VAL B O   1 
ATOM   1182 C CB  . VAL B 1 33  ? 18.627  -6.796  29.388  1.00 30.99 ? 47  VAL B CB  1 
ATOM   1183 C CG1 . VAL B 1 33  ? 17.873  -8.066  29.763  1.00 30.74 ? 47  VAL B CG1 1 
ATOM   1184 C CG2 . VAL B 1 33  ? 17.665  -5.651  29.066  1.00 31.14 ? 47  VAL B CG2 1 
ATOM   1185 N N   . GLY B 1 34  ? 21.233  -5.418  29.017  1.00 31.05 ? 48  GLY B N   1 
ATOM   1186 C CA  . GLY B 1 34  ? 22.066  -4.374  28.446  1.00 31.54 ? 48  GLY B CA  1 
ATOM   1187 C C   . GLY B 1 34  ? 23.288  -4.025  29.274  1.00 32.45 ? 48  GLY B C   1 
ATOM   1188 O O   . GLY B 1 34  ? 23.570  -4.665  30.290  1.00 33.28 ? 48  GLY B O   1 
ATOM   1189 N N   . ARG B 1 39  ? 20.778  2.188   38.619  1.00 28.09 ? 53  ARG B N   1 
ATOM   1190 C CA  . ARG B 1 39  ? 19.623  3.068   38.466  1.00 26.25 ? 53  ARG B CA  1 
ATOM   1191 C C   . ARG B 1 39  ? 19.908  4.230   37.526  1.00 21.94 ? 53  ARG B C   1 
ATOM   1192 O O   . ARG B 1 39  ? 20.997  4.811   37.542  1.00 23.05 ? 53  ARG B O   1 
ATOM   1193 C CB  . ARG B 1 39  ? 19.168  3.611   39.823  1.00 29.04 ? 53  ARG B CB  1 
ATOM   1194 C CG  . ARG B 1 39  ? 18.212  2.699   40.568  1.00 32.87 ? 53  ARG B CG  1 
ATOM   1195 C CD  . ARG B 1 39  ? 17.836  3.265   41.929  1.00 35.87 ? 53  ARG B CD  1 
ATOM   1196 N NE  . ARG B 1 39  ? 18.995  3.382   42.807  1.00 38.93 ? 53  ARG B NE  1 
ATOM   1197 C CZ  . ARG B 1 39  ? 19.446  2.408   43.586  1.00 41.00 ? 53  ARG B CZ  1 
ATOM   1198 N NH1 . ARG B 1 39  ? 18.857  1.224   43.626  1.00 42.05 ? 53  ARG B NH1 1 
ATOM   1199 N NH2 . ARG B 1 39  ? 20.517  2.628   44.344  1.00 41.35 ? 53  ARG B NH2 1 
ATOM   1200 N N   . TYR B 1 40  ? 18.910  4.567   36.715  1.00 17.48 ? 54  TYR B N   1 
ATOM   1201 C CA  . TYR B 1 40  ? 19.006  5.649   35.750  1.00 16.32 ? 54  TYR B CA  1 
ATOM   1202 C C   . TYR B 1 40  ? 17.793  6.556   35.889  1.00 15.52 ? 54  TYR B C   1 
ATOM   1203 O O   . TYR B 1 40  ? 16.698  6.102   36.234  1.00 16.01 ? 54  TYR B O   1 
ATOM   1204 C CB  . TYR B 1 40  ? 19.045  5.085   34.315  1.00 15.87 ? 54  TYR B CB  1 
ATOM   1205 C CG  . TYR B 1 40  ? 20.237  4.185   34.041  1.00 16.27 ? 54  TYR B CG  1 
ATOM   1206 C CD1 . TYR B 1 40  ? 20.239  2.854   34.455  1.00 17.05 ? 54  TYR B CD1 1 
ATOM   1207 C CD2 . TYR B 1 40  ? 21.368  4.674   33.402  1.00 15.98 ? 54  TYR B CD2 1 
ATOM   1208 C CE1 . TYR B 1 40  ? 21.327  2.036   34.228  1.00 18.31 ? 54  TYR B CE1 1 
ATOM   1209 C CE2 . TYR B 1 40  ? 22.465  3.861   33.165  1.00 16.61 ? 54  TYR B CE2 1 
ATOM   1210 C CZ  . TYR B 1 40  ? 22.439  2.541   33.577  1.00 18.43 ? 54  TYR B CZ  1 
ATOM   1211 O OH  . TYR B 1 40  ? 23.527  1.728   33.348  1.00 20.07 ? 54  TYR B OH  1 
ATOM   1212 N N   . VAL B 1 41  ? 17.999  7.845   35.605  1.00 15.13 ? 55  VAL B N   1 
ATOM   1213 C CA  . VAL B 1 41  ? 16.908  8.814   35.632  1.00 15.39 ? 55  VAL B CA  1 
ATOM   1214 C C   . VAL B 1 41  ? 15.941  8.536   34.493  1.00 15.07 ? 55  VAL B C   1 
ATOM   1215 O O   . VAL B 1 41  ? 16.350  8.228   33.365  1.00 15.01 ? 55  VAL B O   1 
ATOM   1216 C CB  . VAL B 1 41  ? 17.478  10.237  35.515  1.00 16.57 ? 55  VAL B CB  1 
ATOM   1217 C CG1 . VAL B 1 41  ? 16.355  11.276  35.407  1.00 15.74 ? 55  VAL B CG1 1 
ATOM   1218 C CG2 . VAL B 1 41  ? 18.359  10.547  36.704  1.00 16.57 ? 55  VAL B CG2 1 
ATOM   1219 N N   . LEU B 1 42  ? 14.648  8.674   34.761  1.00 15.29 ? 56  LEU B N   1 
ATOM   1220 C CA  . LEU B 1 42  ? 13.665  8.699   33.692  1.00 16.74 ? 56  LEU B CA  1 
ATOM   1221 C C   . LEU B 1 42  ? 12.774  9.923   33.816  1.00 15.06 ? 56  LEU B C   1 
ATOM   1222 O O   . LEU B 1 42  ? 12.550  10.454  34.911  1.00 16.37 ? 56  LEU B O   1 
ATOM   1223 C CB  . LEU B 1 42  ? 12.787  7.456   33.679  1.00 18.27 ? 56  LEU B CB  1 
ATOM   1224 C CG  . LEU B 1 42  ? 11.788  7.363   34.830  1.00 17.57 ? 56  LEU B CG  1 
ATOM   1225 C CD1 . LEU B 1 42  ? 10.395  7.934   34.459  1.00 17.59 ? 56  LEU B CD1 1 
ATOM   1226 C CD2 . LEU B 1 42  ? 11.686  5.930   35.292  1.00 20.40 ? 56  LEU B CD2 1 
ATOM   1227 N N   A THR B 1 43  ? 12.198  10.313  32.683  0.34 15.02 ? 57  THR B N   1 
ATOM   1228 N N   B THR B 1 43  ? 12.304  10.400  32.670  0.66 15.39 ? 57  THR B N   1 
ATOM   1229 C CA  A THR B 1 43  ? 11.357  11.495  32.600  0.34 14.07 ? 57  THR B CA  1 
ATOM   1230 C CA  B THR B 1 43  ? 11.293  11.439  32.639  0.66 14.98 ? 57  THR B CA  1 
ATOM   1231 C C   A THR B 1 43  ? 10.392  11.321  31.430  0.34 13.34 ? 57  THR B C   1 
ATOM   1232 C C   B THR B 1 43  ? 10.349  11.203  31.471  0.66 12.98 ? 57  THR B C   1 
ATOM   1233 O O   A THR B 1 43  ? 10.798  10.872  30.352  0.34 12.73 ? 57  THR B O   1 
ATOM   1234 O O   B THR B 1 43  ? 10.728  10.632  30.441  0.66 11.87 ? 57  THR B O   1 
ATOM   1235 C CB  A THR B 1 43  ? 12.249  12.731  32.422  0.34 14.77 ? 57  THR B CB  1 
ATOM   1236 C CB  B THR B 1 43  ? 11.883  12.851  32.578  0.66 17.06 ? 57  THR B CB  1 
ATOM   1237 O OG1 A THR B 1 43  ? 13.168  12.827  33.523  0.34 14.75 ? 57  THR B OG1 1 
ATOM   1238 O OG1 B THR B 1 43  ? 10.820  13.805  32.675  0.66 20.75 ? 57  THR B OG1 1 
ATOM   1239 C CG2 A THR B 1 43  ? 11.426  13.980  32.381  0.34 15.71 ? 57  THR B CG2 1 
ATOM   1240 C CG2 B THR B 1 43  ? 12.636  13.071  31.283  0.66 14.15 ? 57  THR B CG2 1 
ATOM   1241 N N   . GLY B 1 44  ? 9.118   11.655  31.644  1.00 13.76 ? 58  GLY B N   1 
ATOM   1242 C CA  . GLY B 1 44  ? 8.126   11.540  30.593  1.00 13.07 ? 58  GLY B CA  1 
ATOM   1243 C C   . GLY B 1 44  ? 6.857   12.304  30.911  1.00 11.43 ? 58  GLY B C   1 
ATOM   1244 O O   . GLY B 1 44  ? 6.846   13.208  31.753  1.00 12.23 ? 58  GLY B O   1 
ATOM   1245 N N   . ARG B 1 45  ? 5.776   11.924  30.227  1.00 11.75 ? 59  ARG B N   1 
ATOM   1246 C CA  . ARG B 1 45  ? 4.505   12.634  30.292  1.00 12.59 ? 59  ARG B CA  1 
ATOM   1247 C C   . ARG B 1 45  ? 3.364   11.628  30.215  1.00 12.58 ? 59  ARG B C   1 
ATOM   1248 O O   . ARG B 1 45  ? 3.508   10.549  29.634  1.00 12.73 ? 59  ARG B O   1 
ATOM   1249 C CB  . ARG B 1 45  ? 4.347   13.632  29.131  1.00 14.17 ? 59  ARG B CB  1 
ATOM   1250 C CG  . ARG B 1 45  ? 5.438   14.706  29.030  1.00 15.07 ? 59  ARG B CG  1 
ATOM   1251 C CD  . ARG B 1 45  ? 5.292   15.774  30.104  1.00 14.99 ? 59  ARG B CD  1 
ATOM   1252 N NE  . ARG B 1 45  ? 4.021   16.472  29.972  1.00 14.19 ? 59  ARG B NE  1 
ATOM   1253 C CZ  . ARG B 1 45  ? 3.521   17.278  30.901  1.00 15.24 ? 59  ARG B CZ  1 
ATOM   1254 N NH1 . ARG B 1 45  ? 4.160   17.495  32.044  1.00 15.73 ? 59  ARG B NH1 1 
ATOM   1255 N NH2 . ARG B 1 45  ? 2.344   17.859  30.690  1.00 16.04 ? 59  ARG B NH2 1 
ATOM   1256 N N   . TYR B 1 46  ? 2.221   11.991  30.793  1.00 13.29 ? 60  TYR B N   1 
ATOM   1257 C CA  . TYR B 1 46  ? 1.024   11.169  30.704  1.00 13.46 ? 60  TYR B CA  1 
ATOM   1258 C C   . TYR B 1 46  ? -0.203  12.067  30.603  1.00 12.94 ? 60  TYR B C   1 
ATOM   1259 O O   . TYR B 1 46  ? -0.171  13.242  30.979  1.00 13.25 ? 60  TYR B O   1 
ATOM   1260 C CB  . TYR B 1 46  ? 0.898   10.207  31.902  1.00 13.14 ? 60  TYR B CB  1 
ATOM   1261 C CG  . TYR B 1 46  ? 0.456   10.891  33.180  1.00 13.39 ? 60  TYR B CG  1 
ATOM   1262 C CD1 . TYR B 1 46  ? 1.339   11.668  33.927  1.00 13.63 ? 60  TYR B CD1 1 
ATOM   1263 C CD2 . TYR B 1 46  ? -0.846  10.755  33.641  1.00 14.88 ? 60  TYR B CD2 1 
ATOM   1264 C CE1 . TYR B 1 46  ? 0.921   12.300  35.106  1.00 14.06 ? 60  TYR B CE1 1 
ATOM   1265 C CE2 . TYR B 1 46  ? -1.269  11.378  34.805  1.00 14.62 ? 60  TYR B CE2 1 
ATOM   1266 C CZ  . TYR B 1 46  ? -0.381  12.149  35.530  1.00 14.53 ? 60  TYR B CZ  1 
ATOM   1267 O OH  . TYR B 1 46  ? -0.799  12.773  36.689  1.00 15.80 ? 60  TYR B OH  1 
ATOM   1268 N N   . ASP B 1 47  ? -1.293  11.498  30.089  1.00 14.06 ? 61  ASP B N   1 
ATOM   1269 C CA  . ASP B 1 47  ? -2.579  12.191  30.010  1.00 14.42 ? 61  ASP B CA  1 
ATOM   1270 C C   . ASP B 1 47  ? -3.187  12.293  31.411  1.00 14.34 ? 61  ASP B C   1 
ATOM   1271 O O   . ASP B 1 47  ? -3.616  11.286  31.989  1.00 14.99 ? 61  ASP B O   1 
ATOM   1272 C CB  . ASP B 1 47  ? -3.493  11.421  29.058  1.00 14.92 ? 61  ASP B CB  1 
ATOM   1273 C CG  . ASP B 1 47  ? -4.866  12.063  28.890  1.00 16.16 ? 61  ASP B CG  1 
ATOM   1274 O OD1 . ASP B 1 47  ? -5.116  13.163  29.439  1.00 16.75 ? 61  ASP B OD1 1 
ATOM   1275 O OD2 . ASP B 1 47  ? -5.706  11.463  28.180  1.00 16.24 ? 61  ASP B OD2 1 
ATOM   1276 N N   . SER B 1 48  ? -3.228  13.510  31.971  1.00 14.22 ? 62  SER B N   1 
ATOM   1277 C CA  . SER B 1 48  ? -3.739  13.734  33.320  1.00 15.08 ? 62  SER B CA  1 
ATOM   1278 C C   . SER B 1 48  ? -5.258  13.827  33.380  1.00 16.49 ? 62  SER B C   1 
ATOM   1279 O O   . SER B 1 48  ? -5.807  13.973  34.480  1.00 18.18 ? 62  SER B O   1 
ATOM   1280 C CB  . SER B 1 48  ? -3.123  15.004  33.913  1.00 15.73 ? 62  SER B CB  1 
ATOM   1281 O OG  . SER B 1 48  ? -3.386  16.116  33.078  1.00 16.77 ? 62  SER B OG  1 
ATOM   1282 N N   . ALA B 1 49  ? -5.950  13.763  32.244  1.00 16.65 ? 63  ALA B N   1 
ATOM   1283 C CA  . ALA B 1 49  ? -7.413  13.754  32.208  1.00 17.50 ? 63  ALA B CA  1 
ATOM   1284 C C   . ALA B 1 49  ? -7.894  12.707  31.211  1.00 17.39 ? 63  ALA B C   1 
ATOM   1285 O O   . ALA B 1 49  ? -8.530  13.033  30.203  1.00 18.58 ? 63  ALA B O   1 
ATOM   1286 C CB  . ALA B 1 49  ? -7.950  15.138  31.835  1.00 18.86 ? 63  ALA B CB  1 
ATOM   1287 N N   . PRO B 1 50  ? -7.630  11.427  31.470  1.00 16.95 ? 64  PRO B N   1 
ATOM   1288 C CA  . PRO B 1 50  ? -8.036  10.387  30.515  1.00 18.02 ? 64  PRO B CA  1 
ATOM   1289 C C   . PRO B 1 50  ? -9.550  10.233  30.474  1.00 19.72 ? 64  PRO B C   1 
ATOM   1290 O O   . PRO B 1 50  ? -10.289 10.740  31.324  1.00 20.94 ? 64  PRO B O   1 
ATOM   1291 C CB  . PRO B 1 50  ? -7.368  9.123   31.065  1.00 18.16 ? 64  PRO B CB  1 
ATOM   1292 C CG  . PRO B 1 50  ? -7.296  9.385   32.550  1.00 17.86 ? 64  PRO B CG  1 
ATOM   1293 C CD  . PRO B 1 50  ? -6.998  10.857  32.673  1.00 17.66 ? 64  PRO B CD  1 
ATOM   1294 N N   . ALA B 1 51  ? -10.012 9.524   29.448  1.00 20.19 ? 65  ALA B N   1 
ATOM   1295 C CA  . ALA B 1 51  ? -11.422 9.188   29.345  1.00 20.56 ? 65  ALA B CA  1 
ATOM   1296 C C   . ALA B 1 51  ? -11.830 8.275   30.495  1.00 22.09 ? 65  ALA B C   1 
ATOM   1297 O O   . ALA B 1 51  ? -11.008 7.565   31.080  1.00 23.20 ? 65  ALA B O   1 
ATOM   1298 C CB  . ALA B 1 51  ? -11.706 8.487   28.016  1.00 20.89 ? 65  ALA B CB  1 
ATOM   1299 N N   . THR B 1 52  ? -13.119 8.305   30.816  1.00 23.92 ? 66  THR B N   1 
ATOM   1300 C CA  . THR B 1 52  ? -13.719 7.471   31.851  1.00 25.26 ? 66  THR B CA  1 
ATOM   1301 C C   . THR B 1 52  ? -14.718 6.493   31.242  1.00 24.20 ? 66  THR B C   1 
ATOM   1302 O O   . THR B 1 52  ? -15.828 6.304   31.746  1.00 25.09 ? 66  THR B O   1 
ATOM   1303 C CB  . THR B 1 52  ? -14.377 8.335   32.920  1.00 28.24 ? 66  THR B CB  1 
ATOM   1304 O OG1 . THR B 1 52  ? -15.230 9.290   32.279  1.00 31.00 ? 66  THR B OG1 1 
ATOM   1305 C CG2 . THR B 1 52  ? -13.316 9.067   33.719  1.00 28.41 ? 66  THR B CG2 1 
ATOM   1306 N N   . ASP B 1 53  ? -14.327 5.871   30.132  1.00 21.50 ? 67  ASP B N   1 
ATOM   1307 C CA  . ASP B 1 53  ? -15.192 4.953   29.405  1.00 20.53 ? 67  ASP B CA  1 
ATOM   1308 C C   . ASP B 1 53  ? -14.585 3.564   29.270  1.00 21.49 ? 67  ASP B C   1 
ATOM   1309 O O   . ASP B 1 53  ? -15.063 2.769   28.450  1.00 24.46 ? 67  ASP B O   1 
ATOM   1310 C CB  . ASP B 1 53  ? -15.540 5.518   28.025  1.00 19.56 ? 67  ASP B CB  1 
ATOM   1311 C CG  . ASP B 1 53  ? -14.317 5.702   27.142  1.00 18.92 ? 67  ASP B CG  1 
ATOM   1312 O OD1 . ASP B 1 53  ? -13.192 5.387   27.584  1.00 18.30 ? 67  ASP B OD1 1 
ATOM   1313 O OD2 . ASP B 1 53  ? -14.485 6.179   26.003  1.00 20.04 ? 67  ASP B OD2 1 
ATOM   1314 N N   . GLY B 1 54  ? -13.532 3.260   30.027  1.00 21.49 ? 68  GLY B N   1 
ATOM   1315 C CA  . GLY B 1 54  ? -12.830 2.003   29.900  1.00 21.52 ? 68  GLY B CA  1 
ATOM   1316 C C   . GLY B 1 54  ? -11.566 2.062   29.068  1.00 20.91 ? 68  GLY B C   1 
ATOM   1317 O O   . GLY B 1 54  ? -10.864 1.048   28.968  1.00 22.68 ? 68  GLY B O   1 
ATOM   1318 N N   . SER B 1 55  ? -11.262 3.206   28.461  1.00 17.50 ? 69  SER B N   1 
ATOM   1319 C CA  . SER B 1 55  ? -10.023 3.353   27.715  1.00 17.59 ? 69  SER B CA  1 
ATOM   1320 C C   . SER B 1 55  ? -8.841  3.508   28.665  1.00 16.27 ? 69  SER B C   1 
ATOM   1321 O O   . SER B 1 55  ? -8.981  3.976   29.797  1.00 16.71 ? 69  SER B O   1 
ATOM   1322 C CB  . SER B 1 55  ? -10.086 4.605   26.841  1.00 19.08 ? 69  SER B CB  1 
ATOM   1323 O OG  . SER B 1 55  ? -11.199 4.577   25.969  1.00 20.13 ? 69  SER B OG  1 
ATOM   1324 N N   . GLY B 1 56  ? -7.665  3.125   28.183  1.00 13.84 ? 70  GLY B N   1 
ATOM   1325 C CA  . GLY B 1 56  ? -6.446  3.308   28.942  1.00 14.30 ? 70  GLY B CA  1 
ATOM   1326 C C   . GLY B 1 56  ? -5.983  4.754   28.974  1.00 12.26 ? 70  GLY B C   1 
ATOM   1327 O O   . GLY B 1 56  ? -6.520  5.641   28.305  1.00 13.71 ? 70  GLY B O   1 
ATOM   1328 N N   . THR B 1 57  ? -4.932  4.988   29.764  1.00 13.33 ? 71  THR B N   1 
ATOM   1329 C CA  . THR B 1 57  ? -4.326  6.311   29.909  1.00 13.26 ? 71  THR B CA  1 
ATOM   1330 C C   . THR B 1 57  ? -3.018  6.361   29.123  1.00 11.64 ? 71  THR B C   1 
ATOM   1331 O O   . THR B 1 57  ? -2.078  5.623   29.431  1.00 12.88 ? 71  THR B O   1 
ATOM   1332 C CB  . THR B 1 57  ? -4.046  6.598   31.384  1.00 13.70 ? 71  THR B CB  1 
ATOM   1333 O OG1 . THR B 1 57  ? -5.275  6.584   32.122  1.00 15.21 ? 71  THR B OG1 1 
ATOM   1334 C CG2 . THR B 1 57  ? -3.387  7.952   31.536  1.00 14.38 ? 71  THR B CG2 1 
ATOM   1335 N N   . ALA B 1 58  ? -2.955  7.221   28.105  1.00 11.91 ? 72  ALA B N   1 
ATOM   1336 C CA  . ALA B 1 58  ? -1.760  7.287   27.268  1.00 11.88 ? 72  ALA B CA  1 
ATOM   1337 C C   . ALA B 1 58  ? -0.592  7.912   28.028  1.00 11.60 ? 72  ALA B C   1 
ATOM   1338 O O   . ALA B 1 58  ? -0.774  8.837   28.829  1.00 13.24 ? 72  ALA B O   1 
ATOM   1339 C CB  . ALA B 1 58  ? -2.052  8.109   26.018  1.00 13.22 ? 72  ALA B CB  1 
ATOM   1340 N N   . LEU B 1 59  ? 0.621   7.420   27.757  1.00 11.93 ? 73  LEU B N   1 
ATOM   1341 C CA  . LEU B 1 59  ? 1.820   7.914   28.427  1.00 12.16 ? 73  LEU B CA  1 
ATOM   1342 C C   . LEU B 1 59  ? 3.067   7.537   27.629  1.00 11.95 ? 73  LEU B C   1 
ATOM   1343 O O   . LEU B 1 59  ? 3.024   6.709   26.712  1.00 12.82 ? 73  LEU B O   1 
ATOM   1344 C CB  . LEU B 1 59  ? 1.910   7.369   29.860  1.00 14.81 ? 73  LEU B CB  1 
ATOM   1345 C CG  . LEU B 1 59  ? 1.721   5.855   30.062  1.00 17.97 ? 73  LEU B CG  1 
ATOM   1346 C CD1 . LEU B 1 59  ? 2.831   4.978   29.509  1.00 20.45 ? 73  LEU B CD1 1 
ATOM   1347 C CD2 . LEU B 1 59  ? 1.525   5.558   31.536  1.00 19.35 ? 73  LEU B CD2 1 
ATOM   1348 N N   . GLY B 1 60  ? 4.194   8.126   28.027  1.00 11.15 ? 74  GLY B N   1 
ATOM   1349 C CA  . GLY B 1 60  ? 5.492   7.738   27.500  1.00 10.83 ? 74  GLY B CA  1 
ATOM   1350 C C   . GLY B 1 60  ? 6.599   8.256   28.393  1.00 10.59 ? 74  GLY B C   1 
ATOM   1351 O O   . GLY B 1 60  ? 6.410   9.214   29.152  1.00 11.82 ? 74  GLY B O   1 
ATOM   1352 N N   . TRP B 1 61  ? 7.772   7.625   28.297  1.00 11.24 ? 75  TRP B N   1 
ATOM   1353 C CA  . TRP B 1 61  ? 8.931   8.122   29.036  1.00 10.47 ? 75  TRP B CA  1 
ATOM   1354 C C   . TRP B 1 61  ? 10.226  7.709   28.346  1.00 10.05 ? 75  TRP B C   1 
ATOM   1355 O O   . TRP B 1 61  ? 10.240  6.837   27.468  1.00 11.37 ? 75  TRP B O   1 
ATOM   1356 C CB  . TRP B 1 61  ? 8.908   7.685   30.514  1.00 12.25 ? 75  TRP B CB  1 
ATOM   1357 C CG  . TRP B 1 61  ? 9.170   6.209   30.736  1.00 12.21 ? 75  TRP B CG  1 
ATOM   1358 C CD1 . TRP B 1 61  ? 10.382  5.620   30.984  1.00 12.91 ? 75  TRP B CD1 1 
ATOM   1359 C CD2 . TRP B 1 61  ? 8.198   5.157   30.772  1.00 12.63 ? 75  TRP B CD2 1 
ATOM   1360 N NE1 . TRP B 1 61  ? 10.221  4.261   31.162  1.00 12.95 ? 75  TRP B NE1 1 
ATOM   1361 C CE2 . TRP B 1 61  ? 8.893   3.952   31.025  1.00 11.98 ? 75  TRP B CE2 1 
ATOM   1362 C CE3 . TRP B 1 61  ? 6.809   5.111   30.594  1.00 13.51 ? 75  TRP B CE3 1 
ATOM   1363 C CZ2 . TRP B 1 61  ? 8.246   2.718   31.109  1.00 12.63 ? 75  TRP B CZ2 1 
ATOM   1364 C CZ3 . TRP B 1 61  ? 6.167   3.875   30.683  1.00 13.49 ? 75  TRP B CZ3 1 
ATOM   1365 C CH2 . TRP B 1 61  ? 6.888   2.701   30.933  1.00 13.61 ? 75  TRP B CH2 1 
ATOM   1366 N N   . THR B 1 62  ? 11.326  8.345   28.774  1.00 11.05 ? 76  THR B N   1 
ATOM   1367 C CA  . THR B 1 62  ? 12.660  8.154   28.219  1.00 11.60 ? 76  THR B CA  1 
ATOM   1368 C C   . THR B 1 62  ? 13.665  7.872   29.329  1.00 11.71 ? 76  THR B C   1 
ATOM   1369 O O   . THR B 1 62  ? 13.607  8.486   30.405  1.00 12.73 ? 76  THR B O   1 
ATOM   1370 C CB  . THR B 1 62  ? 13.129  9.412   27.463  1.00 12.53 ? 76  THR B CB  1 
ATOM   1371 O OG1 . THR B 1 62  ? 12.181  9.749   26.448  1.00 12.19 ? 76  THR B OG1 1 
ATOM   1372 C CG2 . THR B 1 62  ? 14.494  9.181   26.816  1.00 13.21 ? 76  THR B CG2 1 
ATOM   1373 N N   . VAL B 1 63  ? 14.584  6.946   29.061  1.00 12.34 ? 77  VAL B N   1 
ATOM   1374 C CA  . VAL B 1 63  ? 15.796  6.744   29.847  1.00 13.38 ? 77  VAL B CA  1 
ATOM   1375 C C   . VAL B 1 63  ? 16.992  6.878   28.912  1.00 13.29 ? 77  VAL B C   1 
ATOM   1376 O O   . VAL B 1 63  ? 17.080  6.159   27.909  1.00 14.60 ? 77  VAL B O   1 
ATOM   1377 C CB  . VAL B 1 63  ? 15.812  5.364   30.527  1.00 14.25 ? 77  VAL B CB  1 
ATOM   1378 C CG1 . VAL B 1 63  ? 17.184  5.081   31.150  1.00 15.88 ? 77  VAL B CG1 1 
ATOM   1379 C CG2 . VAL B 1 63  ? 14.707  5.258   31.577  1.00 14.30 ? 77  VAL B CG2 1 
ATOM   1380 N N   . ALA B 1 64  ? 17.920  7.779   29.241  1.00 14.27 ? 78  ALA B N   1 
ATOM   1381 C CA  . ALA B 1 64  ? 19.236  7.774   28.612  1.00 14.55 ? 78  ALA B CA  1 
ATOM   1382 C C   . ALA B 1 64  ? 20.172  6.934   29.473  1.00 15.30 ? 78  ALA B C   1 
ATOM   1383 O O   . ALA B 1 64  ? 20.238  7.127   30.693  1.00 15.48 ? 78  ALA B O   1 
ATOM   1384 C CB  . ALA B 1 64  ? 19.779  9.193   28.445  1.00 15.29 ? 78  ALA B CB  1 
ATOM   1385 N N   . TRP B 1 65  ? 20.881  5.994   28.844  1.00 14.55 ? 79  TRP B N   1 
ATOM   1386 C CA  . TRP B 1 65  ? 21.609  4.963   29.580  1.00 14.88 ? 79  TRP B CA  1 
ATOM   1387 C C   . TRP B 1 65  ? 22.977  5.438   30.060  1.00 16.35 ? 79  TRP B C   1 
ATOM   1388 O O   . TRP B 1 65  ? 23.996  4.767   29.853  1.00 16.32 ? 79  TRP B O   1 
ATOM   1389 C CB  . TRP B 1 65  ? 21.670  3.669   28.762  1.00 15.58 ? 79  TRP B CB  1 
ATOM   1390 C CG  . TRP B 1 65  ? 20.294  3.120   28.507  1.00 14.99 ? 79  TRP B CG  1 
ATOM   1391 C CD1 . TRP B 1 65  ? 19.624  3.102   27.314  1.00 15.24 ? 79  TRP B CD1 1 
ATOM   1392 C CD2 . TRP B 1 65  ? 19.409  2.523   29.472  1.00 14.12 ? 79  TRP B CD2 1 
ATOM   1393 N NE1 . TRP B 1 65  ? 18.385  2.530   27.475  1.00 14.39 ? 79  TRP B NE1 1 
ATOM   1394 C CE2 . TRP B 1 65  ? 18.226  2.171   28.789  1.00 14.02 ? 79  TRP B CE2 1 
ATOM   1395 C CE3 . TRP B 1 65  ? 19.500  2.260   30.844  1.00 15.11 ? 79  TRP B CE3 1 
ATOM   1396 C CZ2 . TRP B 1 65  ? 17.149  1.559   29.423  1.00 15.35 ? 79  TRP B CZ2 1 
ATOM   1397 C CZ3 . TRP B 1 65  ? 18.427  1.650   31.474  1.00 15.96 ? 79  TRP B CZ3 1 
ATOM   1398 C CH2 . TRP B 1 65  ? 17.267  1.306   30.764  1.00 15.40 ? 79  TRP B CH2 1 
ATOM   1399 N N   . LYS B 1 66  ? 22.991  6.596   30.719  1.00 16.31 ? 80  LYS B N   1 
ATOM   1400 C CA  . LYS B 1 66  ? 24.176  7.151   31.359  1.00 16.96 ? 80  LYS B CA  1 
ATOM   1401 C C   . LYS B 1 66  ? 23.855  7.419   32.816  1.00 16.95 ? 80  LYS B C   1 
ATOM   1402 O O   . LYS B 1 66  ? 22.811  7.995   33.131  1.00 16.33 ? 80  LYS B O   1 
ATOM   1403 C CB  . LYS B 1 66  ? 24.594  8.470   30.700  1.00 17.88 ? 80  LYS B CB  1 
ATOM   1404 C CG  . LYS B 1 66  ? 25.756  9.170   31.409  1.00 19.53 ? 80  LYS B CG  1 
ATOM   1405 C CD  . LYS B 1 66  ? 26.016  10.561  30.849  1.00 22.72 ? 80  LYS B CD  1 
ATOM   1406 C CE  . LYS B 1 66  ? 27.101  11.288  31.637  1.00 25.66 ? 80  LYS B CE  1 
ATOM   1407 N NZ  . LYS B 1 66  ? 26.707  11.566  33.054  1.00 27.45 ? 80  LYS B NZ  1 
ATOM   1408 N N   . ASN B 1 67  ? 24.749  6.996   33.700  1.00 18.64 ? 81  ASN B N   1 
ATOM   1409 C CA  . ASN B 1 67  ? 24.666  7.385   35.100  1.00 20.92 ? 81  ASN B CA  1 
ATOM   1410 C C   . ASN B 1 67  ? 26.084  7.683   35.576  1.00 23.98 ? 81  ASN B C   1 
ATOM   1411 O O   . ASN B 1 67  ? 27.003  7.880   34.774  1.00 23.64 ? 81  ASN B O   1 
ATOM   1412 C CB  . ASN B 1 67  ? 23.851  6.370   35.922  1.00 20.58 ? 81  ASN B CB  1 
ATOM   1413 C CG  . ASN B 1 67  ? 24.503  5.006   35.996  1.00 21.67 ? 81  ASN B CG  1 
ATOM   1414 O OD1 . ASN B 1 67  ? 25.678  4.842   35.674  1.00 22.52 ? 81  ASN B OD1 1 
ATOM   1415 N ND2 . ASN B 1 67  ? 23.737  4.016   36.443  1.00 21.74 ? 81  ASN B ND2 1 
ATOM   1416 N N   . ASN B 1 68  ? 26.278  7.719   36.890  1.00 26.69 ? 82  ASN B N   1 
ATOM   1417 C CA  . ASN B 1 68  ? 27.605  8.031   37.410  1.00 29.48 ? 82  ASN B CA  1 
ATOM   1418 C C   . ASN B 1 68  ? 28.585  6.876   37.271  1.00 30.61 ? 82  ASN B C   1 
ATOM   1419 O O   . ASN B 1 68  ? 29.764  7.049   37.601  1.00 32.99 ? 82  ASN B O   1 
ATOM   1420 C CB  . ASN B 1 68  ? 27.522  8.475   38.875  1.00 32.12 ? 82  ASN B CB  1 
ATOM   1421 C CG  . ASN B 1 68  ? 26.910  9.856   39.034  1.00 34.88 ? 82  ASN B CG  1 
ATOM   1422 O OD1 . ASN B 1 68  ? 27.015  10.703  38.148  1.00 36.77 ? 82  ASN B OD1 1 
ATOM   1423 N ND2 . ASN B 1 68  ? 26.275  10.093  40.177  1.00 35.92 ? 82  ASN B ND2 1 
ATOM   1424 N N   . TYR B 1 69  ? 28.141  5.717   36.792  1.00 30.09 ? 83  TYR B N   1 
ATOM   1425 C CA  . TYR B 1 69  ? 28.976  4.527   36.732  1.00 31.12 ? 83  TYR B CA  1 
ATOM   1426 C C   . TYR B 1 69  ? 29.167  3.967   35.332  1.00 30.18 ? 83  TYR B C   1 
ATOM   1427 O O   . TYR B 1 69  ? 30.216  3.375   35.064  1.00 31.78 ? 83  TYR B O   1 
ATOM   1428 C CB  . TYR B 1 69  ? 28.400  3.432   37.641  1.00 33.17 ? 83  TYR B CB  1 
ATOM   1429 C CG  . TYR B 1 69  ? 28.033  3.951   39.013  1.00 34.99 ? 83  TYR B CG  1 
ATOM   1430 C CD1 . TYR B 1 69  ? 29.016  4.369   39.901  1.00 36.05 ? 83  TYR B CD1 1 
ATOM   1431 C CD2 . TYR B 1 69  ? 26.707  4.040   39.415  1.00 35.72 ? 83  TYR B CD2 1 
ATOM   1432 C CE1 . TYR B 1 69  ? 28.693  4.853   41.153  1.00 36.64 ? 83  TYR B CE1 1 
ATOM   1433 C CE2 . TYR B 1 69  ? 26.371  4.522   40.673  1.00 36.35 ? 83  TYR B CE2 1 
ATOM   1434 C CZ  . TYR B 1 69  ? 27.370  4.929   41.536  1.00 36.88 ? 83  TYR B CZ  1 
ATOM   1435 O OH  . TYR B 1 69  ? 27.052  5.412   42.789  1.00 37.11 ? 83  TYR B OH  1 
ATOM   1436 N N   . ARG B 1 70  ? 28.195  4.136   34.436  1.00 27.60 ? 84  ARG B N   1 
ATOM   1437 C CA  . ARG B 1 70  ? 28.254  3.558   33.101  1.00 27.12 ? 84  ARG B CA  1 
ATOM   1438 C C   . ARG B 1 70  ? 27.656  4.536   32.100  1.00 22.68 ? 84  ARG B C   1 
ATOM   1439 O O   . ARG B 1 70  ? 26.896  5.440   32.456  1.00 22.69 ? 84  ARG B O   1 
ATOM   1440 C CB  . ARG B 1 70  ? 27.480  2.233   33.031  1.00 31.23 ? 84  ARG B CB  1 
ATOM   1441 C CG  . ARG B 1 70  ? 27.977  1.152   33.984  1.00 34.93 ? 84  ARG B CG  1 
ATOM   1442 C CD  . ARG B 1 70  ? 27.518  -0.226  33.531  1.00 38.13 ? 84  ARG B CD  1 
ATOM   1443 N NE  . ARG B 1 70  ? 28.301  -1.292  34.147  1.00 40.94 ? 84  ARG B NE  1 
ATOM   1444 C CZ  . ARG B 1 70  ? 28.247  -2.567  33.783  1.00 43.10 ? 84  ARG B CZ  1 
ATOM   1445 N NH1 . ARG B 1 70  ? 27.446  -2.975  32.812  1.00 43.83 ? 84  ARG B NH1 1 
ATOM   1446 N NH2 . ARG B 1 70  ? 29.019  -3.453  34.406  1.00 44.14 ? 84  ARG B NH2 1 
ATOM   1447 N N   . ASN B 1 71  ? 28.004  4.340   30.829  1.00 19.63 ? 85  ASN B N   1 
ATOM   1448 C CA  . ASN B 1 71  ? 27.381  5.106   29.752  1.00 17.92 ? 85  ASN B CA  1 
ATOM   1449 C C   . ASN B 1 71  ? 27.384  4.247   28.495  1.00 17.57 ? 85  ASN B C   1 
ATOM   1450 O O   . ASN B 1 71  ? 28.443  3.996   27.914  1.00 17.63 ? 85  ASN B O   1 
ATOM   1451 C CB  . ASN B 1 71  ? 28.105  6.426   29.507  1.00 17.42 ? 85  ASN B CB  1 
ATOM   1452 C CG  . ASN B 1 71  ? 27.325  7.351   28.587  1.00 15.89 ? 85  ASN B CG  1 
ATOM   1453 O OD1 . ASN B 1 71  ? 26.306  6.958   28.020  1.00 17.17 ? 85  ASN B OD1 1 
ATOM   1454 N ND2 . ASN B 1 71  ? 27.799  8.583   28.435  1.00 16.13 ? 85  ASN B ND2 1 
ATOM   1455 N N   . ALA B 1 72  ? 26.198  3.821   28.077  1.00 16.97 ? 86  ALA B N   1 
ATOM   1456 C CA  . ALA B 1 72  ? 26.017  2.998   26.893  1.00 16.93 ? 86  ALA B CA  1 
ATOM   1457 C C   . ALA B 1 72  ? 25.854  3.819   25.619  1.00 16.44 ? 86  ALA B C   1 
ATOM   1458 O O   . ALA B 1 72  ? 25.745  3.236   24.531  1.00 17.37 ? 86  ALA B O   1 
ATOM   1459 C CB  . ALA B 1 72  ? 24.801  2.089   27.088  1.00 17.72 ? 86  ALA B CB  1 
ATOM   1460 N N   . HIS B 1 73  ? 25.847  5.149   25.721  1.00 16.05 ? 87  HIS B N   1 
ATOM   1461 C CA  . HIS B 1 73  ? 25.638  6.031   24.569  1.00 15.22 ? 87  HIS B CA  1 
ATOM   1462 C C   . HIS B 1 73  ? 24.388  5.619   23.789  1.00 14.92 ? 87  HIS B C   1 
ATOM   1463 O O   . HIS B 1 73  ? 24.429  5.338   22.585  1.00 16.01 ? 87  HIS B O   1 
ATOM   1464 C CB  . HIS B 1 73  ? 26.878  6.107   23.663  1.00 16.04 ? 87  HIS B CB  1 
ATOM   1465 C CG  . HIS B 1 73  ? 28.131  6.513   24.381  1.00 16.84 ? 87  HIS B CG  1 
ATOM   1466 N ND1 . HIS B 1 73  ? 28.212  7.644   25.167  1.00 16.93 ? 87  HIS B ND1 1 
ATOM   1467 C CD2 . HIS B 1 73  ? 29.358  5.939   24.427  1.00 17.53 ? 87  HIS B CD2 1 
ATOM   1468 C CE1 . HIS B 1 73  ? 29.428  7.739   25.676  1.00 17.20 ? 87  HIS B CE1 1 
ATOM   1469 N NE2 . HIS B 1 73  ? 30.145  6.719   25.237  1.00 17.72 ? 87  HIS B NE2 1 
ATOM   1470 N N   . SER B 1 74  ? 23.269  5.562   24.511  1.00 15.11 ? 88  SER B N   1 
ATOM   1471 C CA  . SER B 1 74  ? 22.008  5.079   23.961  1.00 15.22 ? 88  SER B CA  1 
ATOM   1472 C C   . SER B 1 74  ? 20.864  5.585   24.832  1.00 14.74 ? 88  SER B C   1 
ATOM   1473 O O   . SER B 1 74  ? 21.072  6.052   25.958  1.00 14.87 ? 88  SER B O   1 
ATOM   1474 C CB  . SER B 1 74  ? 21.994  3.549   23.864  1.00 16.97 ? 88  SER B CB  1 
ATOM   1475 O OG  . SER B 1 74  ? 22.111  2.976   25.155  1.00 17.48 ? 88  SER B OG  1 
ATOM   1476 N N   . ALA B 1 75  ? 19.645  5.487   24.300  1.00 14.01 ? 89  ALA B N   1 
ATOM   1477 C CA  . ALA B 1 75  ? 18.456  5.921   25.025  1.00 13.11 ? 89  ALA B CA  1 
ATOM   1478 C C   . ALA B 1 75  ? 17.249  5.117   24.561  1.00 12.39 ? 89  ALA B C   1 
ATOM   1479 O O   . ALA B 1 75  ? 17.127  4.809   23.374  1.00 13.10 ? 89  ALA B O   1 
ATOM   1480 C CB  . ALA B 1 75  ? 18.199  7.416   24.818  1.00 14.43 ? 89  ALA B CB  1 
ATOM   1481 N N   . THR B 1 76  ? 16.360  4.785   25.494  1.00 12.22 ? 90  THR B N   1 
ATOM   1482 C CA  . THR B 1 76  ? 15.131  4.064   25.199  1.00 12.78 ? 90  THR B CA  1 
ATOM   1483 C C   . THR B 1 76  ? 13.932  4.954   25.488  1.00 12.19 ? 90  THR B C   1 
ATOM   1484 O O   . THR B 1 76  ? 13.909  5.653   26.509  1.00 12.86 ? 90  THR B O   1 
ATOM   1485 C CB  . THR B 1 76  ? 15.036  2.802   26.066  1.00 13.58 ? 90  THR B CB  1 
ATOM   1486 O OG1 . THR B 1 76  ? 16.153  1.946   25.790  1.00 13.29 ? 90  THR B OG1 1 
ATOM   1487 C CG2 . THR B 1 76  ? 13.739  2.047   25.800  1.00 14.36 ? 90  THR B CG2 1 
ATOM   1488 N N   . THR B 1 77  ? 12.938  4.927   24.602  1.00 11.95 ? 91  THR B N   1 
ATOM   1489 C CA  . THR B 1 77  ? 11.635  5.531   24.854  1.00 12.25 ? 91  THR B CA  1 
ATOM   1490 C C   . THR B 1 77  ? 10.562  4.453   24.874  1.00 11.93 ? 91  THR B C   1 
ATOM   1491 O O   . THR B 1 77  ? 10.529  3.590   23.990  1.00 13.78 ? 91  THR B O   1 
ATOM   1492 C CB  . THR B 1 77  ? 11.271  6.573   23.792  1.00 12.42 ? 91  THR B CB  1 
ATOM   1493 O OG1 . THR B 1 77  ? 11.181  5.941   22.504  1.00 14.13 ? 91  THR B OG1 1 
ATOM   1494 C CG2 . THR B 1 77  ? 12.311  7.682   23.735  1.00 13.79 ? 91  THR B CG2 1 
ATOM   1495 N N   . TRP B 1 78  ? 9.686   4.503   25.874  1.00 11.32 ? 92  TRP B N   1 
ATOM   1496 C CA  . TRP B 1 78  ? 8.537   3.613   25.977  1.00 11.41 ? 92  TRP B CA  1 
ATOM   1497 C C   . TRP B 1 78  ? 7.279   4.424   25.697  1.00 10.83 ? 92  TRP B C   1 
ATOM   1498 O O   . TRP B 1 78  ? 7.082   5.492   26.292  1.00 11.64 ? 92  TRP B O   1 
ATOM   1499 C CB  . TRP B 1 78  ? 8.418   3.018   27.383  1.00 12.08 ? 92  TRP B CB  1 
ATOM   1500 C CG  . TRP B 1 78  ? 9.453   2.020   27.813  1.00 11.77 ? 92  TRP B CG  1 
ATOM   1501 C CD1 . TRP B 1 78  ? 9.296   0.656   27.898  1.00 11.82 ? 92  TRP B CD1 1 
ATOM   1502 C CD2 . TRP B 1 78  ? 10.767  2.302   28.314  1.00 12.16 ? 92  TRP B CD2 1 
ATOM   1503 N NE1 . TRP B 1 78  ? 10.441  0.082   28.409  1.00 11.50 ? 92  TRP B NE1 1 
ATOM   1504 C CE2 . TRP B 1 78  ? 11.354  1.068   28.677  1.00 12.44 ? 92  TRP B CE2 1 
ATOM   1505 C CE3 . TRP B 1 78  ? 11.505  3.477   28.489  1.00 11.40 ? 92  TRP B CE3 1 
ATOM   1506 C CZ2 . TRP B 1 78  ? 12.645  0.981   29.204  1.00 12.12 ? 92  TRP B CZ2 1 
ATOM   1507 C CZ3 . TRP B 1 78  ? 12.787  3.387   29.022  1.00 12.01 ? 92  TRP B CZ3 1 
ATOM   1508 C CH2 . TRP B 1 78  ? 13.339  2.150   29.378  1.00 12.27 ? 92  TRP B CH2 1 
ATOM   1509 N N   . SER B 1 79  ? 6.420   3.908   24.816  1.00 11.02 ? 93  SER B N   1 
ATOM   1510 C CA  . SER B 1 79  ? 5.142   4.523   24.479  1.00 11.37 ? 93  SER B CA  1 
ATOM   1511 C C   . SER B 1 79  ? 4.041   3.508   24.761  1.00 11.19 ? 93  SER B C   1 
ATOM   1512 O O   . SER B 1 79  ? 4.135   2.360   24.324  1.00 11.79 ? 93  SER B O   1 
ATOM   1513 C CB  . SER B 1 79  ? 5.138   4.896   22.993  1.00 12.60 ? 93  SER B CB  1 
ATOM   1514 O OG  . SER B 1 79  ? 3.908   5.473   22.594  1.00 14.29 ? 93  SER B OG  1 
ATOM   1515 N N   . GLY B 1 80  ? 3.010   3.900   25.497  1.00 11.51 ? 94  GLY B N   1 
ATOM   1516 C CA  . GLY B 1 80  ? 2.002   2.914   25.843  1.00 11.72 ? 94  GLY B CA  1 
ATOM   1517 C C   . GLY B 1 80  ? 0.818   3.487   26.583  1.00 10.69 ? 94  GLY B C   1 
ATOM   1518 O O   . GLY B 1 80  ? 0.527   4.680   26.502  1.00 11.75 ? 94  GLY B O   1 
ATOM   1519 N N   . GLN B 1 81  ? 0.113   2.609   27.294  1.00 11.65 ? 95  GLN B N   1 
ATOM   1520 C CA  . GLN B 1 81  ? -1.039  3.040   28.066  1.00 13.58 ? 95  GLN B CA  1 
ATOM   1521 C C   . GLN B 1 81  ? -1.111  2.291   29.385  1.00 14.08 ? 95  GLN B C   1 
ATOM   1522 O O   . GLN B 1 81  ? -0.744  1.113   29.477  1.00 13.86 ? 95  GLN B O   1 
ATOM   1523 C CB  . GLN B 1 81  ? -2.368  2.928   27.300  1.00 17.19 ? 95  GLN B CB  1 
ATOM   1524 C CG  . GLN B 1 81  ? -2.698  1.582   26.694  1.00 18.00 ? 95  GLN B CG  1 
ATOM   1525 C CD  . GLN B 1 81  ? -3.945  1.661   25.809  1.00 17.23 ? 95  GLN B CD  1 
ATOM   1526 O OE1 . GLN B 1 81  ? -4.953  2.270   26.188  1.00 16.30 ? 95  GLN B OE1 1 
ATOM   1527 N NE2 . GLN B 1 81  ? -3.877  1.057   24.622  1.00 18.26 ? 95  GLN B NE2 1 
ATOM   1528 N N   . TYR B 1 82  ? -1.564  3.003   30.413  1.00 13.94 ? 96  TYR B N   1 
ATOM   1529 C CA  . TYR B 1 82  ? -1.846  2.419   31.712  1.00 14.18 ? 96  TYR B CA  1 
ATOM   1530 C C   . TYR B 1 82  ? -3.279  1.912   31.721  1.00 14.89 ? 96  TYR B C   1 
ATOM   1531 O O   . TYR B 1 82  ? -4.194  2.612   31.275  1.00 15.50 ? 96  TYR B O   1 
ATOM   1532 C CB  . TYR B 1 82  ? -1.670  3.477   32.803  1.00 14.85 ? 96  TYR B CB  1 
ATOM   1533 C CG  . TYR B 1 82  ? -2.401  3.166   34.090  1.00 15.93 ? 96  TYR B CG  1 
ATOM   1534 C CD1 . TYR B 1 82  ? -1.849  2.311   35.034  1.00 16.64 ? 96  TYR B CD1 1 
ATOM   1535 C CD2 . TYR B 1 82  ? -3.638  3.741   34.368  1.00 17.75 ? 96  TYR B CD2 1 
ATOM   1536 C CE1 . TYR B 1 82  ? -2.520  2.028   36.222  1.00 18.20 ? 96  TYR B CE1 1 
ATOM   1537 C CE2 . TYR B 1 82  ? -4.308  3.465   35.546  1.00 19.68 ? 96  TYR B CE2 1 
ATOM   1538 C CZ  . TYR B 1 82  ? -3.747  2.608   36.462  1.00 19.82 ? 96  TYR B CZ  1 
ATOM   1539 O OH  . TYR B 1 82  ? -4.421  2.339   37.632  1.00 21.55 ? 96  TYR B OH  1 
ATOM   1540 N N   . VAL B 1 83  ? -3.469  0.701   32.243  1.00 16.10 ? 97  VAL B N   1 
ATOM   1541 C CA  . VAL B 1 83  ? -4.781  0.078   32.365  1.00 20.29 ? 97  VAL B CA  1 
ATOM   1542 C C   . VAL B 1 83  ? -4.969  -0.314  33.824  1.00 21.96 ? 97  VAL B C   1 
ATOM   1543 O O   . VAL B 1 83  ? -4.217  -1.146  34.343  1.00 22.28 ? 97  VAL B O   1 
ATOM   1544 C CB  . VAL B 1 83  ? -4.914  -1.158  31.458  1.00 22.58 ? 97  VAL B CB  1 
ATOM   1545 C CG1 . VAL B 1 83  ? -6.293  -1.767  31.601  1.00 25.12 ? 97  VAL B CG1 1 
ATOM   1546 C CG2 . VAL B 1 83  ? -4.639  -0.792  29.998  1.00 22.85 ? 97  VAL B CG2 1 
ATOM   1547 N N   . GLY B 1 84  ? -5.964  0.283   34.484  1.00 24.55 ? 98  GLY B N   1 
ATOM   1548 C CA  . GLY B 1 84  ? -6.214  0.019   35.886  1.00 27.35 ? 98  GLY B CA  1 
ATOM   1549 C C   . GLY B 1 84  ? -7.048  -1.233  36.120  1.00 29.46 ? 98  GLY B C   1 
ATOM   1550 O O   . GLY B 1 84  ? -7.405  -1.971  35.205  1.00 31.41 ? 98  GLY B O   1 
ATOM   1551 N N   . GLY B 1 85  ? -7.355  -1.469  37.387  1.00 31.12 ? 99  GLY B N   1 
ATOM   1552 C CA  . GLY B 1 85  ? -8.162  -2.600  37.796  1.00 31.74 ? 99  GLY B CA  1 
ATOM   1553 C C   . GLY B 1 85  ? -7.389  -3.545  38.693  1.00 31.75 ? 99  GLY B C   1 
ATOM   1554 O O   . GLY B 1 85  ? -6.278  -3.252  39.146  1.00 31.27 ? 99  GLY B O   1 
ATOM   1555 N N   . ALA B 1 86  ? -7.993  -4.715  38.933  1.00 32.52 ? 100 ALA B N   1 
ATOM   1556 C CA  . ALA B 1 86  ? -7.425  -5.679  39.872  1.00 33.14 ? 100 ALA B CA  1 
ATOM   1557 C C   . ALA B 1 86  ? -6.082  -6.222  39.401  1.00 32.55 ? 100 ALA B C   1 
ATOM   1558 O O   . ALA B 1 86  ? -5.243  -6.596  40.229  1.00 33.70 ? 100 ALA B O   1 
ATOM   1559 C CB  . ALA B 1 86  ? -8.410  -6.823  40.114  1.00 33.42 ? 100 ALA B CB  1 
ATOM   1560 N N   . GLU B 1 87  ? -5.864  -6.284  38.093  1.00 30.53 ? 101 GLU B N   1 
ATOM   1561 C CA  . GLU B 1 87  ? -4.584  -6.682  37.515  1.00 28.81 ? 101 GLU B CA  1 
ATOM   1562 C C   . GLU B 1 87  ? -4.088  -5.541  36.629  1.00 25.45 ? 101 GLU B C   1 
ATOM   1563 O O   . GLU B 1 87  ? -4.044  -5.650  35.397  1.00 25.99 ? 101 GLU B O   1 
ATOM   1564 C CB  . GLU B 1 87  ? -4.701  -8.010  36.751  1.00 31.33 ? 101 GLU B CB  1 
ATOM   1565 C CG  . GLU B 1 87  ? -4.714  -9.243  37.646  0.45 32.83 ? 101 GLU B CG  1 
ATOM   1566 C CD  . GLU B 1 87  ? -3.372  -9.506  38.313  0.39 34.03 ? 101 GLU B CD  1 
ATOM   1567 O OE1 . GLU B 1 87  ? -2.378  -8.830  37.962  0.57 34.67 ? 101 GLU B OE1 1 
ATOM   1568 O OE2 . GLU B 1 87  ? -3.310  -10.395 39.189  0.36 34.56 ? 101 GLU B OE2 1 
ATOM   1569 N N   . ALA B 1 88  ? -3.717  -4.438  37.274  1.00 22.74 ? 102 ALA B N   1 
ATOM   1570 C CA  . ALA B 1 88  ? -3.295  -3.239  36.565  1.00 19.51 ? 102 ALA B CA  1 
ATOM   1571 C C   . ALA B 1 88  ? -2.030  -3.501  35.754  1.00 17.98 ? 102 ALA B C   1 
ATOM   1572 O O   . ALA B 1 88  ? -1.173  -4.301  36.136  1.00 17.73 ? 102 ALA B O   1 
ATOM   1573 C CB  . ALA B 1 88  ? -3.042  -2.111  37.567  1.00 19.36 ? 102 ALA B CB  1 
ATOM   1574 N N   . ARG B 1 89  ? -1.911  -2.805  34.624  1.00 15.52 ? 103 ARG B N   1 
ATOM   1575 C CA  . ARG B 1 89  ? -0.793  -3.008  33.711  1.00 15.37 ? 103 ARG B CA  1 
ATOM   1576 C C   . ARG B 1 89  ? -0.397  -1.682  33.082  1.00 14.39 ? 103 ARG B C   1 
ATOM   1577 O O   . ARG B 1 89  ? -1.235  -0.804  32.881  1.00 16.07 ? 103 ARG B O   1 
ATOM   1578 C CB  . ARG B 1 89  ? -1.183  -3.939  32.546  1.00 18.06 ? 103 ARG B CB  1 
ATOM   1579 C CG  . ARG B 1 89  ? -1.585  -5.347  32.938  1.00 19.92 ? 103 ARG B CG  1 
ATOM   1580 C CD  . ARG B 1 89  ? -0.365  -6.189  33.212  0.85 21.56 ? 103 ARG B CD  1 
ATOM   1581 N NE  . ARG B 1 89  ? -0.705  -7.583  33.476  0.75 23.07 ? 103 ARG B NE  1 
ATOM   1582 C CZ  . ARG B 1 89  ? -1.093  -8.055  34.653  0.57 24.88 ? 103 ARG B CZ  1 
ATOM   1583 N NH1 . ARG B 1 89  ? -1.233  -7.264  35.705  0.66 24.48 ? 103 ARG B NH1 1 
ATOM   1584 N NH2 . ARG B 1 89  ? -1.345  -9.355  34.781  1.00 27.80 ? 103 ARG B NH2 1 
ATOM   1585 N N   . ILE B 1 90  ? 0.880   -1.555  32.738  1.00 13.70 ? 104 ILE B N   1 
ATOM   1586 C CA  . ILE B 1 90  ? 1.312   -0.558  31.756  1.00 13.27 ? 104 ILE B CA  1 
ATOM   1587 C C   . ILE B 1 90  ? 1.846   -1.333  30.554  1.00 13.59 ? 104 ILE B C   1 
ATOM   1588 O O   . ILE B 1 90  ? 2.846   -2.052  30.664  1.00 13.44 ? 104 ILE B O   1 
ATOM   1589 C CB  . ILE B 1 90  ? 2.347   0.434   32.308  1.00 13.90 ? 104 ILE B CB  1 
ATOM   1590 C CG1 . ILE B 1 90  ? 1.785   1.170   33.530  1.00 14.33 ? 104 ILE B CG1 1 
ATOM   1591 C CG2 . ILE B 1 90  ? 2.726   1.470   31.229  1.00 15.81 ? 104 ILE B CG2 1 
ATOM   1592 C CD1 . ILE B 1 90  ? 2.770   2.100   34.221  1.00 15.31 ? 104 ILE B CD1 1 
ATOM   1593 N N   . ASN B 1 91  ? 1.161   -1.219  29.418  1.00 13.49 ? 105 ASN B N   1 
ATOM   1594 C CA  . ASN B 1 91  ? 1.496   -1.969  28.213  1.00 13.52 ? 105 ASN B CA  1 
ATOM   1595 C C   . ASN B 1 91  ? 2.205   -1.033  27.244  1.00 11.43 ? 105 ASN B C   1 
ATOM   1596 O O   . ASN B 1 91  ? 1.658   0.018   26.891  1.00 12.52 ? 105 ASN B O   1 
ATOM   1597 C CB  . ASN B 1 91  ? 0.216   -2.500  27.573  1.00 15.86 ? 105 ASN B CB  1 
ATOM   1598 C CG  . ASN B 1 91  ? -0.530  -3.443  28.490  1.00 18.69 ? 105 ASN B CG  1 
ATOM   1599 O OD1 . ASN B 1 91  ? 0.073   -4.317  29.108  1.00 19.52 ? 105 ASN B OD1 1 
ATOM   1600 N ND2 . ASN B 1 91  ? -1.841  -3.255  28.604  1.00 19.77 ? 105 ASN B ND2 1 
ATOM   1601 N N   . THR B 1 92  ? 3.418   -1.400  26.823  1.00 11.51 ? 106 THR B N   1 
ATOM   1602 C CA  . THR B 1 92  ? 4.255   -0.470  26.073  1.00 11.10 ? 106 THR B CA  1 
ATOM   1603 C C   . THR B 1 92  ? 4.906   -1.142  24.873  1.00 10.76 ? 106 THR B C   1 
ATOM   1604 O O   . THR B 1 92  ? 5.094   -2.365  24.821  1.00 12.24 ? 106 THR B O   1 
ATOM   1605 C CB  . THR B 1 92  ? 5.397   0.126   26.927  1.00 12.07 ? 106 THR B CB  1 
ATOM   1606 O OG1 . THR B 1 92  ? 6.384   -0.890  27.167  1.00 12.43 ? 106 THR B OG1 1 
ATOM   1607 C CG2 . THR B 1 92  ? 4.886   0.736   28.255  1.00 11.93 ? 106 THR B CG2 1 
ATOM   1608 N N   . GLN B 1 93  ? 5.274   -0.297  23.917  1.00 11.66 ? 107 GLN B N   1 
ATOM   1609 C CA  . GLN B 1 93  ? 6.252   -0.624  22.893  1.00 11.74 ? 107 GLN B CA  1 
ATOM   1610 C C   . GLN B 1 93  ? 7.401   0.361   23.049  1.00 10.77 ? 107 GLN B C   1 
ATOM   1611 O O   . GLN B 1 93  ? 7.212   1.463   23.569  1.00 12.28 ? 107 GLN B O   1 
ATOM   1612 C CB  . GLN B 1 93  ? 5.617   -0.583  21.506  1.00 13.97 ? 107 GLN B CB  1 
ATOM   1613 C CG  . GLN B 1 93  ? 4.502   -1.624  21.406  1.00 16.12 ? 107 GLN B CG  1 
ATOM   1614 C CD  . GLN B 1 93  ? 3.952   -1.770  20.007  1.00 16.93 ? 107 GLN B CD  1 
ATOM   1615 O OE1 . GLN B 1 93  ? 4.530   -2.463  19.170  1.00 19.69 ? 107 GLN B OE1 1 
ATOM   1616 N NE2 . GLN B 1 93  ? 2.818   -1.134  19.751  1.00 16.57 ? 107 GLN B NE2 1 
ATOM   1617 N N   . TRP B 1 94  ? 8.608   -0.044  22.662  1.00 11.11 ? 108 TRP B N   1 
ATOM   1618 C CA  . TRP B 1 94  ? 9.768   0.799   22.910  1.00 11.00 ? 108 TRP B CA  1 
ATOM   1619 C C   . TRP B 1 94  ? 10.681  0.869   21.695  1.00 10.87 ? 108 TRP B C   1 
ATOM   1620 O O   . TRP B 1 94  ? 10.694  -0.025  20.841  1.00 11.77 ? 108 TRP B O   1 
ATOM   1621 C CB  . TRP B 1 94  ? 10.549  0.392   24.180  1.00 11.52 ? 108 TRP B CB  1 
ATOM   1622 C CG  . TRP B 1 94  ? 10.969  -1.040  24.273  1.00 11.85 ? 108 TRP B CG  1 
ATOM   1623 C CD1 . TRP B 1 94  ? 10.375  -2.019  25.020  1.00 13.55 ? 108 TRP B CD1 1 
ATOM   1624 C CD2 . TRP B 1 94  ? 12.101  -1.655  23.629  1.00 11.86 ? 108 TRP B CD2 1 
ATOM   1625 N NE1 . TRP B 1 94  ? 11.047  -3.209  24.857  1.00 13.62 ? 108 TRP B NE1 1 
ATOM   1626 C CE2 . TRP B 1 94  ? 12.119  -3.010  24.025  1.00 13.33 ? 108 TRP B CE2 1 
ATOM   1627 C CE3 . TRP B 1 94  ? 13.105  -1.188  22.776  1.00 12.38 ? 108 TRP B CE3 1 
ATOM   1628 C CZ2 . TRP B 1 94  ? 13.091  -3.908  23.572  1.00 13.38 ? 108 TRP B CZ2 1 
ATOM   1629 C CZ3 . TRP B 1 94  ? 14.068  -2.081  22.325  1.00 12.02 ? 108 TRP B CZ3 1 
ATOM   1630 C CH2 . TRP B 1 94  ? 14.055  -3.425  22.726  1.00 12.19 ? 108 TRP B CH2 1 
ATOM   1631 N N   . LEU B 1 95  ? 11.449  1.962   21.647  1.00 11.68 ? 109 LEU B N   1 
ATOM   1632 C CA  . LEU B 1 95  ? 12.510  2.185   20.670  1.00 11.41 ? 109 LEU B CA  1 
ATOM   1633 C C   . LEU B 1 95  ? 13.791  2.514   21.423  1.00 12.21 ? 109 LEU B C   1 
ATOM   1634 O O   . LEU B 1 95  ? 13.778  3.339   22.342  1.00 13.89 ? 109 LEU B O   1 
ATOM   1635 C CB  . LEU B 1 95  ? 12.170  3.357   19.747  1.00 12.21 ? 109 LEU B CB  1 
ATOM   1636 C CG  . LEU B 1 95  ? 10.930  3.249   18.859  1.00 13.86 ? 109 LEU B CG  1 
ATOM   1637 C CD1 . LEU B 1 95  ? 10.664  4.565   18.128  1.00 14.53 ? 109 LEU B CD1 1 
ATOM   1638 C CD2 . LEU B 1 95  ? 11.108  2.127   17.852  1.00 15.71 ? 109 LEU B CD2 1 
ATOM   1639 N N   . LEU B 1 96  ? 14.889  1.871   21.040  1.00 12.20 ? 110 LEU B N   1 
ATOM   1640 C CA  . LEU B 1 96  ? 16.185  2.039   21.690  1.00 12.62 ? 110 LEU B CA  1 
ATOM   1641 C C   . LEU B 1 96  ? 17.188  2.478   20.627  1.00 12.06 ? 110 LEU B C   1 
ATOM   1642 O O   . LEU B 1 96  ? 17.578  1.677   19.766  1.00 12.89 ? 110 LEU B O   1 
ATOM   1643 C CB  . LEU B 1 96  ? 16.600  0.730   22.361  1.00 14.09 ? 110 LEU B CB  1 
ATOM   1644 C CG  . LEU B 1 96  ? 18.049  0.475   22.758  1.00 16.30 ? 110 LEU B CG  1 
ATOM   1645 C CD1 . LEU B 1 96  ? 18.592  1.609   23.616  1.00 16.92 ? 110 LEU B CD1 1 
ATOM   1646 C CD2 . LEU B 1 96  ? 18.130  -0.862  23.498  1.00 18.09 ? 110 LEU B CD2 1 
ATOM   1647 N N   . THR B 1 97  ? 17.587  3.748   20.664  1.00 12.88 ? 111 THR B N   1 
ATOM   1648 C CA  . THR B 1 97  ? 18.524  4.294   19.685  1.00 13.33 ? 111 THR B CA  1 
ATOM   1649 C C   . THR B 1 97  ? 19.899  4.457   20.319  1.00 13.57 ? 111 THR B C   1 
ATOM   1650 O O   . THR B 1 97  ? 20.019  5.019   21.415  1.00 14.10 ? 111 THR B O   1 
ATOM   1651 C CB  . THR B 1 97  ? 18.051  5.641   19.124  1.00 14.20 ? 111 THR B CB  1 
ATOM   1652 O OG1 . THR B 1 97  ? 16.734  5.507   18.570  1.00 15.61 ? 111 THR B OG1 1 
ATOM   1653 C CG2 . THR B 1 97  ? 19.006  6.141   18.014  1.00 15.53 ? 111 THR B CG2 1 
ATOM   1654 N N   . SER B 1 98  ? 20.926  3.964   19.632  1.00 15.23 ? 112 SER B N   1 
ATOM   1655 C CA  . SER B 1 98  ? 22.314  4.161   20.016  1.00 16.16 ? 112 SER B CA  1 
ATOM   1656 C C   . SER B 1 98  ? 22.923  5.273   19.173  1.00 17.09 ? 112 SER B C   1 
ATOM   1657 O O   . SER B 1 98  ? 22.578  5.441   18.000  1.00 17.93 ? 112 SER B O   1 
ATOM   1658 C CB  . SER B 1 98  ? 23.120  2.882   19.777  1.00 17.51 ? 112 SER B CB  1 
ATOM   1659 O OG  . SER B 1 98  ? 22.651  1.808   20.572  1.00 19.31 ? 112 SER B OG  1 
ATOM   1660 N N   . GLY B 1 99  ? 23.838  6.031   19.772  1.00 16.83 ? 113 GLY B N   1 
ATOM   1661 C CA  . GLY B 1 99  ? 24.642  6.957   18.987  1.00 18.69 ? 113 GLY B CA  1 
ATOM   1662 C C   . GLY B 1 99  ? 25.572  6.191   18.057  1.00 20.32 ? 113 GLY B C   1 
ATOM   1663 O O   . GLY B 1 99  ? 26.321  5.309   18.496  1.00 22.12 ? 113 GLY B O   1 
ATOM   1664 N N   . THR B 1 100 ? 25.520  6.512   16.762  1.00 19.92 ? 114 THR B N   1 
ATOM   1665 C CA  . THR B 1 100 ? 26.331  5.825   15.764  1.00 20.49 ? 114 THR B CA  1 
ATOM   1666 C C   . THR B 1 100 ? 26.919  6.841   14.798  1.00 20.46 ? 114 THR B C   1 
ATOM   1667 O O   . THR B 1 100 ? 26.539  8.013   14.776  1.00 21.00 ? 114 THR B O   1 
ATOM   1668 C CB  . THR B 1 100 ? 25.510  4.832   14.927  1.00 21.17 ? 114 THR B CB  1 
ATOM   1669 O OG1 . THR B 1 100 ? 24.589  5.552   14.092  1.00 20.85 ? 114 THR B OG1 1 
ATOM   1670 C CG2 . THR B 1 100 ? 24.748  3.846   15.798  1.00 21.34 ? 114 THR B CG2 1 
ATOM   1671 N N   . THR B 1 101 ? 27.848  6.367   13.973  1.00 21.25 ? 115 THR B N   1 
ATOM   1672 C CA  . THR B 1 101 ? 28.249  7.134   12.810  1.00 22.46 ? 115 THR B CA  1 
ATOM   1673 C C   . THR B 1 101 ? 27.137  7.089   11.765  1.00 23.28 ? 115 THR B C   1 
ATOM   1674 O O   . THR B 1 101 ? 26.216  6.272   11.834  1.00 22.45 ? 115 THR B O   1 
ATOM   1675 C CB  . THR B 1 101 ? 29.510  6.535   12.189  1.00 23.71 ? 115 THR B CB  1 
ATOM   1676 O OG1 . THR B 1 101 ? 29.223  5.210   11.724  1.00 23.50 ? 115 THR B OG1 1 
ATOM   1677 C CG2 . THR B 1 101 ? 30.637  6.481   13.213  1.00 24.77 ? 115 THR B CG2 1 
ATOM   1678 N N   . GLU B 1 102 ? 27.236  7.976   10.773  1.00 24.81 ? 116 GLU B N   1 
ATOM   1679 C CA  . GLU B 1 102 ? 26.238  7.981   9.707   1.00 26.38 ? 116 GLU B CA  1 
ATOM   1680 C C   . GLU B 1 102 ? 26.220  6.651   8.958   1.00 25.82 ? 116 GLU B C   1 
ATOM   1681 O O   . GLU B 1 102 ? 25.150  6.157   8.581   1.00 25.80 ? 116 GLU B O   1 
ATOM   1682 C CB  . GLU B 1 102 ? 26.488  9.144   8.747   1.00 29.46 ? 116 GLU B CB  1 
ATOM   1683 C CG  . GLU B 1 102 ? 25.488  9.217   7.598   1.00 32.62 ? 116 GLU B CG  1 
ATOM   1684 C CD  . GLU B 1 102 ? 24.047  9.289   8.078   1.00 36.11 ? 116 GLU B CD  1 
ATOM   1685 O OE1 . GLU B 1 102 ? 23.760  10.101  8.984   1.00 37.81 ? 116 GLU B OE1 1 
ATOM   1686 O OE2 . GLU B 1 102 ? 23.203  8.527   7.555   1.00 37.25 ? 116 GLU B OE2 1 
ATOM   1687 N N   . ALA B 1 103 ? 27.393  6.042   8.763   1.00 25.30 ? 117 ALA B N   1 
ATOM   1688 C CA  . ALA B 1 103 ? 27.462  4.791   8.015   1.00 25.52 ? 117 ALA B CA  1 
ATOM   1689 C C   . ALA B 1 103 ? 26.770  3.649   8.749   1.00 24.84 ? 117 ALA B C   1 
ATOM   1690 O O   . ALA B 1 103 ? 26.308  2.693   8.110   1.00 25.49 ? 117 ALA B O   1 
ATOM   1691 C CB  . ALA B 1 103 ? 28.918  4.434   7.713   1.00 26.35 ? 117 ALA B CB  1 
ATOM   1692 N N   . ASN B 1 104 ? 26.685  3.728   10.077  1.00 23.51 ? 118 ASN B N   1 
ATOM   1693 C CA  . ASN B 1 104 ? 26.039  2.703   10.885  1.00 22.20 ? 118 ASN B CA  1 
ATOM   1694 C C   . ASN B 1 104 ? 24.648  3.108   11.352  1.00 20.99 ? 118 ASN B C   1 
ATOM   1695 O O   . ASN B 1 104 ? 24.031  2.377   12.134  1.00 20.56 ? 118 ASN B O   1 
ATOM   1696 C CB  . ASN B 1 104 ? 26.919  2.334   12.080  1.00 23.83 ? 118 ASN B CB  1 
ATOM   1697 C CG  . ASN B 1 104 ? 28.215  1.670   11.662  1.00 26.66 ? 118 ASN B CG  1 
ATOM   1698 O OD1 . ASN B 1 104 ? 28.277  0.997   10.632  1.00 28.18 ? 118 ASN B OD1 1 
ATOM   1699 N ND2 . ASN B 1 104 ? 29.261  1.860   12.455  1.00 28.02 ? 118 ASN B ND2 1 
ATOM   1700 N N   . ALA B 1 105 ? 24.138  4.252   10.888  1.00 20.06 ? 119 ALA B N   1 
ATOM   1701 C CA  . ALA B 1 105 ? 22.861  4.755   11.387  1.00 20.99 ? 119 ALA B CA  1 
ATOM   1702 C C   . ALA B 1 105 ? 21.696  3.855   10.993  1.00 20.50 ? 119 ALA B C   1 
ATOM   1703 O O   . ALA B 1 105 ? 20.675  3.830   11.691  1.00 18.88 ? 119 ALA B O   1 
ATOM   1704 C CB  . ALA B 1 105 ? 22.626  6.186   10.903  1.00 21.99 ? 119 ALA B CB  1 
ATOM   1705 N N   . TRP B 1 106 ? 21.826  3.110   9.892   1.00 21.05 ? 120 TRP B N   1 
ATOM   1706 C CA  . TRP B 1 106 ? 20.726  2.260   9.441   1.00 22.15 ? 120 TRP B CA  1 
ATOM   1707 C C   . TRP B 1 106 ? 20.374  1.200   10.479  1.00 22.64 ? 120 TRP B C   1 
ATOM   1708 O O   . TRP B 1 106 ? 19.228  0.741   10.529  1.00 23.36 ? 120 TRP B O   1 
ATOM   1709 C CB  . TRP B 1 106 ? 21.065  1.613   8.093   1.00 24.26 ? 120 TRP B CB  1 
ATOM   1710 C CG  . TRP B 1 106 ? 22.129  0.579   8.203   1.00 25.93 ? 120 TRP B CG  1 
ATOM   1711 C CD1 . TRP B 1 106 ? 23.478  0.779   8.152   1.00 26.05 ? 120 TRP B CD1 1 
ATOM   1712 C CD2 . TRP B 1 106 ? 21.938  -0.825  8.396   1.00 27.98 ? 120 TRP B CD2 1 
ATOM   1713 N NE1 . TRP B 1 106 ? 24.140  -0.415  8.299   1.00 26.44 ? 120 TRP B NE1 1 
ATOM   1714 C CE2 . TRP B 1 106 ? 23.217  -1.416  8.452   1.00 28.29 ? 120 TRP B CE2 1 
ATOM   1715 C CE3 . TRP B 1 106 ? 20.809  -1.641  8.526   1.00 29.45 ? 120 TRP B CE3 1 
ATOM   1716 C CZ2 . TRP B 1 106 ? 23.398  -2.787  8.627   1.00 30.27 ? 120 TRP B CZ2 1 
ATOM   1717 C CZ3 . TRP B 1 106 ? 20.991  -3.002  8.702   1.00 31.37 ? 120 TRP B CZ3 1 
ATOM   1718 C CH2 . TRP B 1 106 ? 22.276  -3.560  8.753   1.00 31.61 ? 120 TRP B CH2 1 
ATOM   1719 N N   . LYS B 1 107 ? 21.340  0.799   11.311  1.00 21.07 ? 121 LYS B N   1 
ATOM   1720 C CA  . LYS B 1 107 ? 21.129  -0.205  12.348  1.00 21.55 ? 121 LYS B CA  1 
ATOM   1721 C C   . LYS B 1 107 ? 21.210  0.390   13.754  1.00 19.30 ? 121 LYS B C   1 
ATOM   1722 O O   . LYS B 1 107 ? 21.590  -0.296  14.708  1.00 20.04 ? 121 LYS B O   1 
ATOM   1723 C CB  . LYS B 1 107 ? 22.095  -1.381  12.179  1.00 23.70 ? 121 LYS B CB  1 
ATOM   1724 C CG  . LYS B 1 107 ? 23.559  -0.983  12.048  1.00 25.41 ? 121 LYS B CG  1 
ATOM   1725 C CD  . LYS B 1 107 ? 24.464  -2.207  11.993  1.00 28.21 ? 121 LYS B CD  1 
ATOM   1726 C CE  . LYS B 1 107 ? 25.930  -1.801  11.915  1.00 30.94 ? 121 LYS B CE  1 
ATOM   1727 N NZ  . LYS B 1 107 ? 26.840  -2.982  11.936  1.00 33.57 ? 121 LYS B NZ  1 
ATOM   1728 N N   . SER B 1 108 ? 20.822  1.656   13.903  1.00 17.08 ? 122 SER B N   1 
ATOM   1729 C CA  . SER B 1 108 ? 20.936  2.354   15.179  1.00 15.99 ? 122 SER B CA  1 
ATOM   1730 C C   . SER B 1 108 ? 19.775  2.103   16.134  1.00 15.05 ? 122 SER B C   1 
ATOM   1731 O O   . SER B 1 108 ? 19.900  2.457   17.310  1.00 15.33 ? 122 SER B O   1 
ATOM   1732 C CB  . SER B 1 108 ? 21.036  3.858   14.928  1.00 17.43 ? 122 SER B CB  1 
ATOM   1733 O OG  . SER B 1 108 ? 19.828  4.341   14.358  1.00 18.96 ? 122 SER B OG  1 
ATOM   1734 N N   . THR B 1 109 ? 18.657  1.523   15.687  1.00 14.06 ? 123 THR B N   1 
ATOM   1735 C CA  . THR B 1 109 ? 17.424  1.536   16.477  1.00 12.85 ? 123 THR B CA  1 
ATOM   1736 C C   . THR B 1 109 ? 16.825  0.143   16.615  1.00 12.70 ? 123 THR B C   1 
ATOM   1737 O O   . THR B 1 109 ? 16.424  -0.468  15.617  1.00 13.62 ? 123 THR B O   1 
ATOM   1738 C CB  . THR B 1 109 ? 16.391  2.492   15.870  1.00 14.55 ? 123 THR B CB  1 
ATOM   1739 O OG1 . THR B 1 109 ? 17.005  3.761   15.632  1.00 16.79 ? 123 THR B OG1 1 
ATOM   1740 C CG2 . THR B 1 109 ? 15.214  2.690   16.833  1.00 14.33 ? 123 THR B CG2 1 
ATOM   1741 N N   . LEU B 1 110 ? 16.727  -0.336  17.857  1.00 12.21 ? 124 LEU B N   1 
ATOM   1742 C CA  . LEU B 1 110 ? 16.021  -1.567  18.190  1.00 12.26 ? 124 LEU B CA  1 
ATOM   1743 C C   . LEU B 1 110 ? 14.580  -1.237  18.569  1.00 12.51 ? 124 LEU B C   1 
ATOM   1744 O O   . LEU B 1 110 ? 14.290  -0.145  19.068  1.00 12.94 ? 124 LEU B O   1 
ATOM   1745 C CB  . LEU B 1 110 ? 16.698  -2.270  19.373  1.00 14.17 ? 124 LEU B CB  1 
ATOM   1746 C CG  . LEU B 1 110 ? 18.111  -2.806  19.115  1.00 14.95 ? 124 LEU B CG  1 
ATOM   1747 C CD1 . LEU B 1 110 ? 18.844  -3.088  20.425  1.00 15.13 ? 124 LEU B CD1 1 
ATOM   1748 C CD2 . LEU B 1 110 ? 18.064  -4.055  18.235  1.00 17.12 ? 124 LEU B CD2 1 
ATOM   1749 N N   . VAL B 1 111 ? 13.684  -2.202  18.364  1.00 12.39 ? 125 VAL B N   1 
ATOM   1750 C CA  . VAL B 1 111 ? 12.274  -2.061  18.719  1.00 12.08 ? 125 VAL B CA  1 
ATOM   1751 C C   . VAL B 1 111 ? 11.820  -3.292  19.496  1.00 11.05 ? 125 VAL B C   1 
ATOM   1752 O O   . VAL B 1 111 ? 12.250  -4.415  19.213  1.00 12.49 ? 125 VAL B O   1 
ATOM   1753 C CB  . VAL B 1 111 ? 11.387  -1.829  17.474  1.00 12.20 ? 125 VAL B CB  1 
ATOM   1754 C CG1 . VAL B 1 111 ? 11.524  -2.968  16.457  1.00 13.46 ? 125 VAL B CG1 1 
ATOM   1755 C CG2 . VAL B 1 111 ? 9.943   -1.631  17.856  1.00 13.66 ? 125 VAL B CG2 1 
ATOM   1756 N N   . GLY B 1 112 ? 10.938  -3.085  20.467  1.00 11.21 ? 126 GLY B N   1 
ATOM   1757 C CA  . GLY B 1 112 ? 10.410  -4.190  21.237  1.00 11.94 ? 126 GLY B CA  1 
ATOM   1758 C C   . GLY B 1 112 ? 9.177   -3.778  22.013  1.00 11.76 ? 126 GLY B C   1 
ATOM   1759 O O   . GLY B 1 112 ? 8.583   -2.730  21.760  1.00 12.45 ? 126 GLY B O   1 
ATOM   1760 N N   . HIS B 1 113 ? 8.806   -4.617  22.983  1.00 12.20 ? 127 HIS B N   1 
ATOM   1761 C CA  . HIS B 1 113 ? 7.617   -4.368  23.787  1.00 13.18 ? 127 HIS B CA  1 
ATOM   1762 C C   . HIS B 1 113 ? 7.862   -4.851  25.207  1.00 14.66 ? 127 HIS B C   1 
ATOM   1763 O O   . HIS B 1 113 ? 8.494   -5.887  25.411  1.00 17.39 ? 127 HIS B O   1 
ATOM   1764 C CB  . HIS B 1 113 ? 6.386   -5.056  23.178  1.00 15.29 ? 127 HIS B CB  1 
ATOM   1765 C CG  . HIS B 1 113 ? 6.634   -6.472  22.748  1.00 18.00 ? 127 HIS B CG  1 
ATOM   1766 N ND1 . HIS B 1 113 ? 6.287   -7.560  23.521  1.00 21.04 ? 127 HIS B ND1 1 
ATOM   1767 C CD2 . HIS B 1 113 ? 7.194   -6.979  21.621  1.00 19.18 ? 127 HIS B CD2 1 
ATOM   1768 C CE1 . HIS B 1 113 ? 6.624   -8.672  22.893  1.00 22.10 ? 127 HIS B CE1 1 
ATOM   1769 N NE2 . HIS B 1 113 ? 7.179   -8.348  21.739  1.00 22.41 ? 127 HIS B NE2 1 
ATOM   1770 N N   . ASP B 1 114 ? 7.362   -4.086  26.183  1.00 13.58 ? 128 ASP B N   1 
ATOM   1771 C CA  . ASP B 1 114 ? 7.439   -4.431  27.600  1.00 13.93 ? 128 ASP B CA  1 
ATOM   1772 C C   . ASP B 1 114 ? 6.060   -4.306  28.224  1.00 13.29 ? 128 ASP B C   1 
ATOM   1773 O O   . ASP B 1 114 ? 5.335   -3.340  27.964  1.00 13.59 ? 128 ASP B O   1 
ATOM   1774 C CB  . ASP B 1 114 ? 8.341   -3.466  28.398  1.00 15.62 ? 128 ASP B CB  1 
ATOM   1775 C CG  . ASP B 1 114 ? 9.812   -3.673  28.140  1.00 17.34 ? 128 ASP B CG  1 
ATOM   1776 O OD1 . ASP B 1 114 ? 10.183  -4.637  27.435  1.00 20.42 ? 128 ASP B OD1 1 
ATOM   1777 O OD2 . ASP B 1 114 ? 10.606  -2.856  28.643  1.00 15.88 ? 128 ASP B OD2 1 
ATOM   1778 N N   . THR B 1 115 ? 5.722   -5.259  29.090  1.00 14.25 ? 129 THR B N   1 
ATOM   1779 C CA  . THR B 1 115 ? 4.514   -5.189  29.901  1.00 14.59 ? 129 THR B CA  1 
ATOM   1780 C C   . THR B 1 115 ? 4.921   -5.050  31.362  1.00 13.80 ? 129 THR B C   1 
ATOM   1781 O O   . THR B 1 115 ? 5.724   -5.846  31.863  1.00 15.12 ? 129 THR B O   1 
ATOM   1782 C CB  . THR B 1 115 ? 3.666   -6.455  29.735  1.00 18.72 ? 129 THR B CB  1 
ATOM   1783 O OG1 . THR B 1 115 ? 3.381   -6.676  28.349  1.00 22.52 ? 129 THR B OG1 1 
ATOM   1784 C CG2 . THR B 1 115 ? 2.349   -6.313  30.496  1.00 19.98 ? 129 THR B CG2 1 
ATOM   1785 N N   . PHE B 1 116 ? 4.365   -4.053  32.044  1.00 13.17 ? 130 PHE B N   1 
ATOM   1786 C CA  . PHE B 1 116 ? 4.686   -3.799  33.444  1.00 13.66 ? 130 PHE B CA  1 
ATOM   1787 C C   . PHE B 1 116 ? 3.510   -4.148  34.349  1.00 13.88 ? 130 PHE B C   1 
ATOM   1788 O O   . PHE B 1 116 ? 2.353   -3.860  34.027  1.00 14.79 ? 130 PHE B O   1 
ATOM   1789 C CB  . PHE B 1 116 ? 5.058   -2.325  33.659  1.00 13.95 ? 130 PHE B CB  1 
ATOM   1790 C CG  . PHE B 1 116 ? 6.304   -1.902  32.931  1.00 13.90 ? 130 PHE B CG  1 
ATOM   1791 C CD1 . PHE B 1 116 ? 6.240   -1.428  31.622  1.00 13.33 ? 130 PHE B CD1 1 
ATOM   1792 C CD2 . PHE B 1 116 ? 7.537   -1.971  33.549  1.00 14.67 ? 130 PHE B CD2 1 
ATOM   1793 C CE1 . PHE B 1 116 ? 7.396   -1.047  30.946  1.00 13.78 ? 130 PHE B CE1 1 
ATOM   1794 C CE2 . PHE B 1 116 ? 8.691   -1.576  32.896  1.00 14.05 ? 130 PHE B CE2 1 
ATOM   1795 C CZ  . PHE B 1 116 ? 8.623   -1.121  31.585  1.00 13.16 ? 130 PHE B CZ  1 
ATOM   1796 N N   . THR B 1 117 ? 3.819   -4.749  35.498  1.00 14.64 ? 131 THR B N   1 
ATOM   1797 C CA  . THR B 1 117 ? 2.825   -5.123  36.499  1.00 16.32 ? 131 THR B CA  1 
ATOM   1798 C C   . THR B 1 117 ? 3.221   -4.550  37.858  1.00 17.30 ? 131 THR B C   1 
ATOM   1799 O O   . THR B 1 117 ? 4.388   -4.228  38.101  1.00 17.15 ? 131 THR B O   1 
ATOM   1800 C CB  . THR B 1 117 ? 2.683   -6.657  36.595  1.00 20.48 ? 131 THR B CB  1 
ATOM   1801 O OG1 . THR B 1 117 ? 3.949   -7.244  36.923  1.00 22.98 ? 131 THR B OG1 1 
ATOM   1802 C CG2 . THR B 1 117 ? 2.208   -7.240  35.285  1.00 22.59 ? 131 THR B CG2 1 
ATOM   1803 N N   . LYS B 1 118 ? 2.230   -4.427  38.758  1.00 18.70 ? 132 LYS B N   1 
ATOM   1804 C CA  . LYS B 1 118 ? 2.476   -3.924  40.108  1.00 21.33 ? 132 LYS B CA  1 
ATOM   1805 C C   . LYS B 1 118 ? 3.020   -4.993  41.042  1.00 22.98 ? 132 LYS B C   1 
ATOM   1806 O O   . LYS B 1 118 ? 3.442   -4.659  42.156  1.00 23.12 ? 132 LYS B O   1 
ATOM   1807 C CB  . LYS B 1 118 ? 1.200   -3.326  40.717  1.00 21.81 ? 132 LYS B CB  1 
ATOM   1808 C CG  . LYS B 1 118 ? 0.750   -2.011  40.089  1.00 24.66 ? 132 LYS B CG  1 
ATOM   1809 C CD  . LYS B 1 118 ? -0.473  -1.435  40.801  1.00 26.67 ? 132 LYS B CD  1 
ATOM   1810 C CE  . LYS B 1 118 ? -0.985  -0.180  40.103  1.00 30.16 ? 132 LYS B CE  1 
ATOM   1811 N NZ  . LYS B 1 118 ? -2.131  0.464   40.809  1.00 32.63 ? 132 LYS B NZ  1 
ATOM   1812 N N   . VAL B 1 119 ? 3.002   -6.255  40.615  1.00 25.12 ? 133 VAL B N   1 
ATOM   1813 C CA  . VAL B 1 119 ? 3.559   -7.383  41.346  1.00 29.53 ? 133 VAL B CA  1 
ATOM   1814 C C   . VAL B 1 119 ? 4.645   -7.999  40.475  1.00 33.37 ? 133 VAL B C   1 
ATOM   1815 O O   . VAL B 1 119 ? 4.488   -8.087  39.252  1.00 35.20 ? 133 VAL B O   1 
ATOM   1816 C CB  . VAL B 1 119 ? 2.457   -8.421  41.643  1.00 31.66 ? 133 VAL B CB  1 
ATOM   1817 C CG1 . VAL B 1 119 ? 2.969   -9.493  42.586  1.00 31.54 ? 133 VAL B CG1 1 
ATOM   1818 C CG2 . VAL B 1 119 ? 1.215   -7.738  42.210  1.00 33.48 ? 133 VAL B CG2 1 
ATOM   1819 N N   . LYS B 1 120 ? 5.746   -8.410  41.098  1.00 37.01 ? 134 LYS B N   1 
ATOM   1820 C CA  . LYS B 1 120 ? 6.840   -9.077  40.389  1.00 39.74 ? 134 LYS B CA  1 
ATOM   1821 C C   . LYS B 1 120 ? 6.357   -10.306 39.623  1.00 41.38 ? 134 LYS B C   1 
ATOM   1822 O O   . LYS B 1 120 ? 5.514   -11.061 40.109  1.00 43.10 ? 134 LYS B O   1 
ATOM   1823 C CB  . LYS B 1 120 ? 7.940   -9.490  41.370  1.00 41.30 ? 134 LYS B CB  1 
ATOM   1824 C CG  . LYS B 1 120 ? 8.900   -8.372  41.740  1.00 42.79 ? 134 LYS B CG  1 
ATOM   1825 C CD  . LYS B 1 120 ? 9.400   -8.516  43.170  1.00 43.37 ? 134 LYS B CD  1 
ATOM   1826 C CE  . LYS B 1 120 ? 8.643   -7.590  44.110  1.00 43.65 ? 134 LYS B CE  1 
ATOM   1827 N NZ  . LYS B 1 120 ? 7.168   -7.722  43.959  1.00 43.62 ? 134 LYS B NZ  1 
ATOM   1828 N N   . GLY C 1 2   ? 24.673  22.922  19.754  1.00 31.05 ? 16  GLY C N   1 
ATOM   1829 C CA  . GLY C 1 2   ? 24.267  21.616  20.240  1.00 28.53 ? 16  GLY C CA  1 
ATOM   1830 C C   . GLY C 1 2   ? 22.777  21.353  20.114  1.00 25.70 ? 16  GLY C C   1 
ATOM   1831 O O   . GLY C 1 2   ? 22.122  21.844  19.193  1.00 25.58 ? 16  GLY C O   1 
ATOM   1832 N N   . ILE C 1 3   ? 22.240  20.576  21.055  1.00 23.23 ? 17  ILE C N   1 
ATOM   1833 C CA  . ILE C 1 3   ? 20.831  20.196  21.002  1.00 21.81 ? 17  ILE C CA  1 
ATOM   1834 C C   . ILE C 1 3   ? 19.924  21.383  21.320  1.00 20.75 ? 17  ILE C C   1 
ATOM   1835 O O   . ILE C 1 3   ? 18.856  21.540  20.716  1.00 21.01 ? 17  ILE C O   1 
ATOM   1836 C CB  . ILE C 1 3   ? 20.574  18.999  21.936  1.00 20.92 ? 17  ILE C CB  1 
ATOM   1837 C CG1 . ILE C 1 3   ? 21.286  17.750  21.413  1.00 21.86 ? 17  ILE C CG1 1 
ATOM   1838 C CG2 . ILE C 1 3   ? 19.078  18.747  22.109  1.00 19.94 ? 17  ILE C CG2 1 
ATOM   1839 C CD1 . ILE C 1 3   ? 21.376  16.641  22.434  1.00 21.50 ? 17  ILE C CD1 1 
ATOM   1840 N N   . THR C 1 4   ? 20.316  22.222  22.277  1.00 21.14 ? 18  THR C N   1 
ATOM   1841 C CA  . THR C 1 4   ? 19.476  23.349  22.672  1.00 21.57 ? 18  THR C CA  1 
ATOM   1842 C C   . THR C 1 4   ? 19.208  24.254  21.476  1.00 22.34 ? 18  THR C C   1 
ATOM   1843 O O   . THR C 1 4   ? 20.137  24.661  20.775  1.00 23.71 ? 18  THR C O   1 
ATOM   1844 C CB  . THR C 1 4   ? 20.178  24.149  23.767  1.00 22.41 ? 18  THR C CB  1 
ATOM   1845 O OG1 . THR C 1 4   ? 20.297  23.347  24.950  1.00 22.34 ? 18  THR C OG1 1 
ATOM   1846 C CG2 . THR C 1 4   ? 19.397  25.423  24.092  1.00 22.60 ? 18  THR C CG2 1 
ATOM   1847 N N   . GLY C 1 5   ? 17.940  24.559  21.238  1.00 21.11 ? 19  GLY C N   1 
ATOM   1848 C CA  . GLY C 1 5   ? 17.569  25.466  20.172  1.00 21.47 ? 19  GLY C CA  1 
ATOM   1849 C C   . GLY C 1 5   ? 16.168  25.165  19.675  1.00 20.78 ? 19  GLY C C   1 
ATOM   1850 O O   . GLY C 1 5   ? 15.419  24.410  20.289  1.00 21.05 ? 19  GLY C O   1 
ATOM   1851 N N   . THR C 1 6   ? 15.827  25.784  18.546  1.00 20.68 ? 20  THR C N   1 
ATOM   1852 C CA  . THR C 1 6   ? 14.539  25.581  17.893  1.00 20.87 ? 20  THR C CA  1 
ATOM   1853 C C   . THR C 1 6   ? 14.730  24.760  16.625  1.00 20.37 ? 20  THR C C   1 
ATOM   1854 O O   . THR C 1 6   ? 15.550  25.110  15.771  1.00 20.49 ? 20  THR C O   1 
ATOM   1855 C CB  . THR C 1 6   ? 13.882  26.919  17.559  1.00 22.91 ? 20  THR C CB  1 
ATOM   1856 O OG1 . THR C 1 6   ? 13.569  27.607  18.777  1.00 24.01 ? 20  THR C OG1 1 
ATOM   1857 C CG2 . THR C 1 6   ? 12.603  26.703  16.757  1.00 23.33 ? 20  THR C CG2 1 
ATOM   1858 N N   . TRP C 1 7   ? 13.963  23.677  16.505  1.00 19.70 ? 21  TRP C N   1 
ATOM   1859 C CA  . TRP C 1 7   ? 14.076  22.719  15.417  1.00 19.25 ? 21  TRP C CA  1 
ATOM   1860 C C   . TRP C 1 7   ? 12.725  22.577  14.730  1.00 19.30 ? 21  TRP C C   1 
ATOM   1861 O O   . TRP C 1 7   ? 11.675  22.846  15.321  1.00 19.81 ? 21  TRP C O   1 
ATOM   1862 C CB  . TRP C 1 7   ? 14.484  21.347  15.974  1.00 19.81 ? 21  TRP C CB  1 
ATOM   1863 C CG  . TRP C 1 7   ? 15.798  21.312  16.681  1.00 19.38 ? 21  TRP C CG  1 
ATOM   1864 C CD1 . TRP C 1 7   ? 16.036  21.634  17.992  1.00 20.09 ? 21  TRP C CD1 1 
ATOM   1865 C CD2 . TRP C 1 7   ? 17.053  20.882  16.142  1.00 19.18 ? 21  TRP C CD2 1 
ATOM   1866 N NE1 . TRP C 1 7   ? 17.364  21.451  18.292  1.00 20.15 ? 21  TRP C NE1 1 
ATOM   1867 C CE2 . TRP C 1 7   ? 18.011  20.990  17.174  1.00 19.66 ? 21  TRP C CE2 1 
ATOM   1868 C CE3 . TRP C 1 7   ? 17.462  20.425  14.882  1.00 20.42 ? 21  TRP C CE3 1 
ATOM   1869 C CZ2 . TRP C 1 7   ? 19.349  20.651  16.988  1.00 19.88 ? 21  TRP C CZ2 1 
ATOM   1870 C CZ3 . TRP C 1 7   ? 18.792  20.096  14.697  1.00 20.81 ? 21  TRP C CZ3 1 
ATOM   1871 C CH2 . TRP C 1 7   ? 19.721  20.211  15.744  1.00 21.05 ? 21  TRP C CH2 1 
ATOM   1872 N N   . TYR C 1 8   ? 12.758  22.133  13.470  1.00 18.38 ? 22  TYR C N   1 
ATOM   1873 C CA  . TYR C 1 8   ? 11.556  21.924  12.673  1.00 18.08 ? 22  TYR C CA  1 
ATOM   1874 C C   . TYR C 1 8   ? 11.636  20.556  12.013  1.00 18.18 ? 22  TYR C C   1 
ATOM   1875 O O   . TYR C 1 8   ? 12.689  20.182  11.489  1.00 17.36 ? 22  TYR C O   1 
ATOM   1876 C CB  . TYR C 1 8   ? 11.425  22.997  11.579  1.00 19.84 ? 22  TYR C CB  1 
ATOM   1877 C CG  . TYR C 1 8   ? 11.501  24.407  12.116  1.00 20.95 ? 22  TYR C CG  1 
ATOM   1878 C CD1 . TYR C 1 8   ? 10.380  25.023  12.663  1.00 22.14 ? 22  TYR C CD1 1 
ATOM   1879 C CD2 . TYR C 1 8   ? 12.694  25.118  12.092  1.00 21.91 ? 22  TYR C CD2 1 
ATOM   1880 C CE1 . TYR C 1 8   ? 10.444  26.306  13.163  1.00 22.94 ? 22  TYR C CE1 1 
ATOM   1881 C CE2 . TYR C 1 8   ? 12.767  26.410  12.591  1.00 23.29 ? 22  TYR C CE2 1 
ATOM   1882 C CZ  . TYR C 1 8   ? 11.638  26.998  13.122  1.00 23.97 ? 22  TYR C CZ  1 
ATOM   1883 O OH  . TYR C 1 8   ? 11.699  28.280  13.622  1.00 25.33 ? 22  TYR C OH  1 
ATOM   1884 N N   . ASN C 1 9   ? 10.539  19.797  12.050  1.00 18.47 ? 23  ASN C N   1 
ATOM   1885 C CA  . ASN C 1 9   ? 10.532  18.532  11.325  1.00 18.95 ? 23  ASN C CA  1 
ATOM   1886 C C   . ASN C 1 9   ? 10.108  18.742  9.870   1.00 20.40 ? 23  ASN C C   1 
ATOM   1887 O O   . ASN C 1 9   ? 9.810   19.861  9.435   1.00 20.18 ? 23  ASN C O   1 
ATOM   1888 C CB  . ASN C 1 9   ? 9.785   17.419  12.077  1.00 19.00 ? 23  ASN C CB  1 
ATOM   1889 C CG  . ASN C 1 9   ? 8.269   17.513  11.965  1.00 18.89 ? 23  ASN C CG  1 
ATOM   1890 O OD1 . ASN C 1 9   ? 7.719   18.383  11.295  1.00 19.39 ? 23  ASN C OD1 1 
ATOM   1891 N ND2 . ASN C 1 9   ? 7.584   16.589  12.633  1.00 19.96 ? 23  ASN C ND2 1 
ATOM   1892 N N   . GLN C 1 10  ? 10.094  17.641  9.110   1.00 20.36 ? 24  GLN C N   1 
ATOM   1893 C CA  . GLN C 1 10  ? 9.831   17.694  7.677   1.00 22.18 ? 24  GLN C CA  1 
ATOM   1894 C C   . GLN C 1 10  ? 8.405   18.117  7.359   1.00 23.60 ? 24  GLN C C   1 
ATOM   1895 O O   . GLN C 1 10  ? 8.126   18.498  6.215   1.00 25.19 ? 24  GLN C O   1 
ATOM   1896 C CB  . GLN C 1 10  ? 10.146  16.337  7.032   1.00 21.86 ? 24  GLN C CB  1 
ATOM   1897 C CG  . GLN C 1 10  ? 9.143   15.201  7.341   1.00 22.69 ? 24  GLN C CG  1 
ATOM   1898 C CD  . GLN C 1 10  ? 9.220   14.637  8.762   1.00 23.69 ? 24  GLN C CD  1 
ATOM   1899 O OE1 . GLN C 1 10  ? 10.147  14.922  9.529   1.00 23.22 ? 24  GLN C OE1 1 
ATOM   1900 N NE2 . GLN C 1 10  ? 8.229   13.823  9.112   1.00 24.02 ? 24  GLN C NE2 1 
ATOM   1901 N N   . LEU C 1 11  ? 7.505   18.074  8.341   1.00 24.21 ? 25  LEU C N   1 
ATOM   1902 C CA  . LEU C 1 11  ? 6.117   18.470  8.157   1.00 25.59 ? 25  LEU C CA  1 
ATOM   1903 C C   . LEU C 1 11  ? 5.803   19.828  8.769   1.00 26.77 ? 25  LEU C C   1 
ATOM   1904 O O   . LEU C 1 11  ? 4.640   20.242  8.765   1.00 29.35 ? 25  LEU C O   1 
ATOM   1905 C CB  . LEU C 1 11  ? 5.182   17.402  8.720   1.00 26.56 ? 25  LEU C CB  1 
ATOM   1906 C CG  . LEU C 1 11  ? 5.244   16.053  8.001   1.00 28.01 ? 25  LEU C CG  1 
ATOM   1907 C CD1 . LEU C 1 11  ? 4.267   15.074  8.620   1.00 27.96 ? 25  LEU C CD1 1 
ATOM   1908 C CD2 . LEU C 1 11  ? 4.958   16.227  6.520   1.00 28.40 ? 25  LEU C CD2 1 
ATOM   1909 N N   . GLY C 1 12  ? 6.806   20.527  9.293   1.00 25.19 ? 26  GLY C N   1 
ATOM   1910 C CA  . GLY C 1 12  ? 6.609   21.865  9.808   1.00 24.76 ? 26  GLY C CA  1 
ATOM   1911 C C   . GLY C 1 12  ? 6.311   21.971  11.290  1.00 24.38 ? 26  GLY C C   1 
ATOM   1912 O O   . GLY C 1 12  ? 6.019   23.078  11.765  1.00 25.93 ? 26  GLY C O   1 
ATOM   1913 N N   . SER C 1 13  ? 6.359   20.871  12.038  1.00 23.50 ? 27  SER C N   1 
ATOM   1914 C CA  . SER C 1 13  ? 6.237   20.966  13.486  1.00 23.22 ? 27  SER C CA  1 
ATOM   1915 C C   . SER C 1 13  ? 7.434   21.719  14.057  1.00 23.08 ? 27  SER C C   1 
ATOM   1916 O O   . SER C 1 13  ? 8.515   21.745  13.464  1.00 24.93 ? 27  SER C O   1 
ATOM   1917 C CB  . SER C 1 13  ? 6.153   19.571  14.105  1.00 24.50 ? 27  SER C CB  1 
ATOM   1918 O OG  . SER C 1 13  ? 5.028   18.865  13.604  1.00 26.24 ? 27  SER C OG  1 
ATOM   1919 N N   . THR C 1 14  ? 7.228   22.354  15.212  1.00 20.55 ? 28  THR C N   1 
ATOM   1920 C CA  . THR C 1 14  ? 8.246   23.183  15.855  1.00 20.58 ? 28  THR C CA  1 
ATOM   1921 C C   . THR C 1 14  ? 8.597   22.596  17.217  1.00 19.61 ? 28  THR C C   1 
ATOM   1922 O O   . THR C 1 14  ? 7.721   22.449  18.073  1.00 19.70 ? 28  THR C O   1 
ATOM   1923 C CB  . THR C 1 14  ? 7.757   24.628  16.018  1.00 21.63 ? 28  THR C CB  1 
ATOM   1924 O OG1 . THR C 1 14  ? 7.357   25.151  14.745  1.00 22.89 ? 28  THR C OG1 1 
ATOM   1925 C CG2 . THR C 1 14  ? 8.867   25.495  16.589  1.00 23.05 ? 28  THR C CG2 1 
ATOM   1926 N N   . PHE C 1 15  ? 9.885   22.318  17.425  1.00 18.04 ? 29  PHE C N   1 
ATOM   1927 C CA  . PHE C 1 15  ? 10.427  21.607  18.586  1.00 18.98 ? 29  PHE C CA  1 
ATOM   1928 C C   . PHE C 1 15  ? 11.408  22.576  19.242  1.00 19.25 ? 29  PHE C C   1 
ATOM   1929 O O   . PHE C 1 15  ? 12.501  22.809  18.720  1.00 19.73 ? 29  PHE C O   1 
ATOM   1930 C CB  . PHE C 1 15  ? 11.108  20.330  18.072  1.00 18.59 ? 29  PHE C CB  1 
ATOM   1931 C CG  . PHE C 1 15  ? 11.906  19.553  19.101  1.00 18.10 ? 29  PHE C CG  1 
ATOM   1932 C CD1 . PHE C 1 15  ? 11.420  19.316  20.379  1.00 18.02 ? 29  PHE C CD1 1 
ATOM   1933 C CD2 . PHE C 1 15  ? 13.129  18.990  18.743  1.00 17.66 ? 29  PHE C CD2 1 
ATOM   1934 C CE1 . PHE C 1 15  ? 12.164  18.563  21.297  1.00 17.77 ? 29  PHE C CE1 1 
ATOM   1935 C CE2 . PHE C 1 15  ? 13.875  18.249  19.645  1.00 18.29 ? 29  PHE C CE2 1 
ATOM   1936 C CZ  . PHE C 1 15  ? 13.392  18.028  20.926  1.00 17.29 ? 29  PHE C CZ  1 
ATOM   1937 N N   . ILE C 1 16  ? 11.013  23.165  20.372  1.00 18.87 ? 30  ILE C N   1 
ATOM   1938 C CA  . ILE C 1 16  ? 11.828  24.152  21.076  1.00 19.43 ? 30  ILE C CA  1 
ATOM   1939 C C   . ILE C 1 16  ? 12.342  23.473  22.334  1.00 18.52 ? 30  ILE C C   1 
ATOM   1940 O O   . ILE C 1 16  ? 11.563  23.176  23.249  1.00 19.87 ? 30  ILE C O   1 
ATOM   1941 C CB  . ILE C 1 16  ? 11.030  25.416  21.424  1.00 21.15 ? 30  ILE C CB  1 
ATOM   1942 C CG1 . ILE C 1 16  ? 10.466  26.059  20.157  1.00 22.35 ? 30  ILE C CG1 1 
ATOM   1943 C CG2 . ILE C 1 16  ? 11.908  26.405  22.181  1.00 21.91 ? 30  ILE C CG2 1 
ATOM   1944 C CD1 . ILE C 1 16  ? 9.558   27.238  20.433  1.00 23.53 ? 30  ILE C CD1 1 
ATOM   1945 N N   . VAL C 1 17  ? 13.646  23.217  22.393  1.00 18.13 ? 31  VAL C N   1 
ATOM   1946 C CA  . VAL C 1 17  ? 14.196  22.326  23.408  1.00 18.31 ? 31  VAL C CA  1 
ATOM   1947 C C   . VAL C 1 17  ? 15.403  22.959  24.085  1.00 18.88 ? 31  VAL C C   1 
ATOM   1948 O O   . VAL C 1 17  ? 16.146  23.742  23.483  1.00 19.38 ? 31  VAL C O   1 
ATOM   1949 C CB  . VAL C 1 17  ? 14.549  20.941  22.806  1.00 18.98 ? 31  VAL C CB  1 
ATOM   1950 C CG1 . VAL C 1 17  ? 15.723  21.048  21.835  1.00 19.99 ? 31  VAL C CG1 1 
ATOM   1951 C CG2 . VAL C 1 17  ? 14.836  19.916  23.904  1.00 19.36 ? 31  VAL C CG2 1 
ATOM   1952 N N   . THR C 1 18  ? 15.582  22.625  25.361  1.00 19.03 ? 32  THR C N   1 
ATOM   1953 C CA  . THR C 1 18  ? 16.779  22.969  26.110  1.00 19.43 ? 32  THR C CA  1 
ATOM   1954 C C   . THR C 1 18  ? 17.378  21.684  26.663  1.00 18.24 ? 32  THR C C   1 
ATOM   1955 O O   . THR C 1 18  ? 16.662  20.859  27.240  1.00 18.14 ? 32  THR C O   1 
ATOM   1956 C CB  . THR C 1 18  ? 16.449  23.942  27.246  1.00 21.93 ? 32  THR C CB  1 
ATOM   1957 O OG1 . THR C 1 18  ? 15.862  25.132  26.701  1.00 23.45 ? 32  THR C OG1 1 
ATOM   1958 C CG2 . THR C 1 18  ? 17.709  24.314  28.022  1.00 23.56 ? 32  THR C CG2 1 
ATOM   1959 N N   . ALA C 1 19  ? 18.676  21.504  26.451  1.00 19.16 ? 33  ALA C N   1 
ATOM   1960 C CA  . ALA C 1 19  ? 19.415  20.355  26.957  1.00 19.45 ? 33  ALA C CA  1 
ATOM   1961 C C   . ALA C 1 19  ? 20.186  20.822  28.184  1.00 20.13 ? 33  ALA C C   1 
ATOM   1962 O O   . ALA C 1 19  ? 21.113  21.633  28.072  1.00 21.57 ? 33  ALA C O   1 
ATOM   1963 C CB  . ALA C 1 19  ? 20.353  19.808  25.880  1.00 19.70 ? 33  ALA C CB  1 
ATOM   1964 N N   . GLY C 1 20  ? 19.783  20.326  29.359  1.00 19.70 ? 34  GLY C N   1 
ATOM   1965 C CA  . GLY C 1 20  ? 20.343  20.794  30.609  1.00 20.75 ? 34  GLY C CA  1 
ATOM   1966 C C   . GLY C 1 20  ? 21.578  20.019  31.014  1.00 21.73 ? 34  GLY C C   1 
ATOM   1967 O O   . GLY C 1 20  ? 21.883  18.968  30.462  1.00 22.05 ? 34  GLY C O   1 
ATOM   1968 N N   . ALA C 1 21  ? 22.285  20.557  32.010  1.00 23.09 ? 35  ALA C N   1 
ATOM   1969 C CA  . ALA C 1 21  ? 23.549  19.958  32.423  1.00 25.38 ? 35  ALA C CA  1 
ATOM   1970 C C   . ALA C 1 21  ? 23.369  18.527  32.924  1.00 26.22 ? 35  ALA C C   1 
ATOM   1971 O O   . ALA C 1 21  ? 24.303  17.719  32.840  1.00 27.06 ? 35  ALA C O   1 
ATOM   1972 C CB  . ALA C 1 21  ? 24.207  20.826  33.496  1.00 26.22 ? 35  ALA C CB  1 
ATOM   1973 N N   . ASP C 1 22  ? 22.181  18.186  33.425  1.00 24.99 ? 36  ASP C N   1 
ATOM   1974 C CA  . ASP C 1 22  ? 21.936  16.906  34.078  1.00 25.28 ? 36  ASP C CA  1 
ATOM   1975 C C   . ASP C 1 22  ? 21.367  15.842  33.138  1.00 23.82 ? 36  ASP C C   1 
ATOM   1976 O O   . ASP C 1 22  ? 20.853  14.822  33.613  1.00 24.20 ? 36  ASP C O   1 
ATOM   1977 C CB  . ASP C 1 22  ? 21.007  17.103  35.275  1.00 27.70 ? 36  ASP C CB  1 
ATOM   1978 C CG  . ASP C 1 22  ? 19.635  17.603  34.865  1.00 30.05 ? 36  ASP C CG  1 
ATOM   1979 O OD1 . ASP C 1 22  ? 19.521  18.187  33.760  1.00 29.48 ? 36  ASP C OD1 1 
ATOM   1980 O OD2 . ASP C 1 22  ? 18.677  17.411  35.644  1.00 32.22 ? 36  ASP C OD2 1 
ATOM   1981 N N   . GLY C 1 23  ? 21.444  16.047  31.824  1.00 21.31 ? 37  GLY C N   1 
ATOM   1982 C CA  . GLY C 1 23  ? 20.864  15.112  30.877  1.00 19.91 ? 37  GLY C CA  1 
ATOM   1983 C C   . GLY C 1 23  ? 19.398  15.328  30.569  1.00 16.78 ? 37  GLY C C   1 
ATOM   1984 O O   . GLY C 1 23  ? 18.806  14.513  29.846  1.00 17.26 ? 37  GLY C O   1 
ATOM   1985 N N   . ALA C 1 24  ? 18.797  16.399  31.088  1.00 17.25 ? 38  ALA C N   1 
ATOM   1986 C CA  . ALA C 1 24  ? 17.380  16.667  30.886  1.00 16.69 ? 38  ALA C CA  1 
ATOM   1987 C C   . ALA C 1 24  ? 17.131  17.368  29.556  1.00 15.81 ? 38  ALA C C   1 
ATOM   1988 O O   . ALA C 1 24  ? 17.882  18.265  29.157  1.00 16.98 ? 38  ALA C O   1 
ATOM   1989 C CB  . ALA C 1 24  ? 16.862  17.568  32.007  1.00 18.92 ? 38  ALA C CB  1 
ATOM   1990 N N   . LEU C 1 25  ? 16.053  16.968  28.887  1.00 15.23 ? 39  LEU C N   1 
ATOM   1991 C CA  . LEU C 1 25  ? 15.451  17.747  27.811  1.00 15.20 ? 39  LEU C CA  1 
ATOM   1992 C C   . LEU C 1 25  ? 14.133  18.325  28.316  1.00 15.29 ? 39  LEU C C   1 
ATOM   1993 O O   . LEU C 1 25  ? 13.313  17.603  28.895  1.00 15.85 ? 39  LEU C O   1 
ATOM   1994 C CB  . LEU C 1 25  ? 15.195  16.885  26.569  1.00 15.11 ? 39  LEU C CB  1 
ATOM   1995 C CG  . LEU C 1 25  ? 16.402  16.237  25.887  1.00 15.27 ? 39  LEU C CG  1 
ATOM   1996 C CD1 . LEU C 1 25  ? 15.959  15.385  24.691  1.00 15.96 ? 39  LEU C CD1 1 
ATOM   1997 C CD2 . LEU C 1 25  ? 17.425  17.263  25.418  1.00 15.94 ? 39  LEU C CD2 1 
ATOM   1998 N N   . THR C 1 26  ? 13.935  19.624  28.102  1.00 15.26 ? 40  THR C N   1 
ATOM   1999 C CA  . THR C 1 26  ? 12.686  20.291  28.446  1.00 16.40 ? 40  THR C CA  1 
ATOM   2000 C C   . THR C 1 26  ? 12.325  21.239  27.313  1.00 17.24 ? 40  THR C C   1 
ATOM   2001 O O   . THR C 1 26  ? 13.195  21.694  26.568  1.00 19.29 ? 40  THR C O   1 
ATOM   2002 C CB  . THR C 1 26  ? 12.813  21.085  29.758  1.00 17.23 ? 40  THR C CB  1 
ATOM   2003 O OG1 . THR C 1 26  ? 13.840  22.073  29.620  1.00 19.78 ? 40  THR C OG1 1 
ATOM   2004 C CG2 . THR C 1 26  ? 13.171  20.167  30.912  1.00 17.69 ? 40  THR C CG2 1 
ATOM   2005 N N   . GLY C 1 27  ? 11.040  21.539  27.178  1.00 17.18 ? 41  GLY C N   1 
ATOM   2006 C CA  . GLY C 1 27  ? 10.660  22.525  26.167  1.00 18.13 ? 41  GLY C CA  1 
ATOM   2007 C C   . GLY C 1 27  ? 9.207   22.368  25.737  1.00 17.51 ? 41  GLY C C   1 
ATOM   2008 O O   . GLY C 1 27  ? 8.367   21.884  26.500  1.00 17.44 ? 41  GLY C O   1 
ATOM   2009 N N   . THR C 1 28  ? 8.937   22.800  24.503  1.00 18.20 ? 42  THR C N   1 
ATOM   2010 C CA  . THR C 1 28  ? 7.591   22.790  23.951  1.00 19.04 ? 42  THR C CA  1 
ATOM   2011 C C   . THR C 1 28  ? 7.607   22.212  22.545  1.00 18.70 ? 42  THR C C   1 
ATOM   2012 O O   . THR C 1 28  ? 8.607   22.300  21.823  1.00 18.91 ? 42  THR C O   1 
ATOM   2013 C CB  . THR C 1 28  ? 6.951   24.194  23.917  1.00 20.88 ? 42  THR C CB  1 
ATOM   2014 O OG1 . THR C 1 28  ? 7.734   25.067  23.096  1.00 23.07 ? 42  THR C OG1 1 
ATOM   2015 C CG2 . THR C 1 28  ? 6.857   24.772  25.318  1.00 21.01 ? 42  THR C CG2 1 
ATOM   2016 N N   . TYR C 1 29  ? 6.476   21.627  22.160  1.00 18.07 ? 43  TYR C N   1 
ATOM   2017 C CA  . TYR C 1 29  ? 6.293   21.063  20.833  1.00 17.30 ? 43  TYR C CA  1 
ATOM   2018 C C   . TYR C 1 29  ? 4.991   21.607  20.268  1.00 18.14 ? 43  TYR C C   1 
ATOM   2019 O O   . TYR C 1 29  ? 3.974   21.638  20.971  1.00 18.63 ? 43  TYR C O   1 
ATOM   2020 C CB  . TYR C 1 29  ? 6.237   19.532  20.911  1.00 17.67 ? 43  TYR C CB  1 
ATOM   2021 C CG  . TYR C 1 29  ? 6.516   18.844  19.584  1.00 17.46 ? 43  TYR C CG  1 
ATOM   2022 C CD1 . TYR C 1 29  ? 5.503   18.637  18.653  1.00 17.29 ? 43  TYR C CD1 1 
ATOM   2023 C CD2 . TYR C 1 29  ? 7.796   18.406  19.262  1.00 17.84 ? 43  TYR C CD2 1 
ATOM   2024 C CE1 . TYR C 1 29  ? 5.761   18.010  17.438  1.00 19.14 ? 43  TYR C CE1 1 
ATOM   2025 C CE2 . TYR C 1 29  ? 8.061   17.780  18.049  1.00 18.28 ? 43  TYR C CE2 1 
ATOM   2026 C CZ  . TYR C 1 29  ? 7.040   17.583  17.150  1.00 18.55 ? 43  TYR C CZ  1 
ATOM   2027 O OH  . TYR C 1 29  ? 7.308   16.958  15.947  1.00 18.51 ? 43  TYR C OH  1 
ATOM   2028 N N   . GLU C 1 30  ? 5.026   22.049  19.011  1.00 19.00 ? 44  GLU C N   1 
ATOM   2029 C CA  . GLU C 1 30  ? 3.839   22.498  18.293  1.00 20.96 ? 44  GLU C CA  1 
ATOM   2030 C C   . GLU C 1 30  ? 3.716   21.657  17.031  1.00 22.67 ? 44  GLU C C   1 
ATOM   2031 O O   . GLU C 1 30  ? 4.675   21.547  16.264  1.00 21.79 ? 44  GLU C O   1 
ATOM   2032 C CB  . GLU C 1 30  ? 3.943   23.982  17.919  1.00 22.79 ? 44  GLU C CB  1 
ATOM   2033 C CG  A GLU C 1 30  ? 4.388   24.877  19.053  0.55 22.68 ? 44  GLU C CG  1 
ATOM   2034 C CG  B GLU C 1 30  ? 2.680   24.532  17.276  0.45 23.00 ? 44  GLU C CG  1 
ATOM   2035 C CD  A GLU C 1 30  ? 4.862   26.246  18.593  0.55 22.89 ? 44  GLU C CD  1 
ATOM   2036 C CD  B GLU C 1 30  ? 2.693   26.042  17.141  0.45 24.28 ? 44  GLU C CD  1 
ATOM   2037 O OE1 A GLU C 1 30  ? 4.122   26.923  17.845  0.55 25.10 ? 44  GLU C OE1 1 
ATOM   2038 O OE1 B GLU C 1 30  ? 1.649   26.610  16.761  0.45 24.87 ? 44  GLU C OE1 1 
ATOM   2039 O OE2 A GLU C 1 30  ? 5.982   26.644  18.983  0.55 20.59 ? 44  GLU C OE2 1 
ATOM   2040 O OE2 B GLU C 1 30  ? 3.742   26.662  17.410  0.45 25.63 ? 44  GLU C OE2 1 
ATOM   2041 N N   . SER C 1 31  ? 2.550   21.054  16.826  1.00 25.31 ? 45  SER C N   1 
ATOM   2042 C CA  . SER C 1 31  ? 2.349   20.097  15.748  1.00 27.85 ? 45  SER C CA  1 
ATOM   2043 C C   . SER C 1 31  ? 1.563   20.736  14.612  1.00 30.47 ? 45  SER C C   1 
ATOM   2044 O O   . SER C 1 31  ? 0.646   21.529  14.842  1.00 31.72 ? 45  SER C O   1 
ATOM   2045 C CB  . SER C 1 31  ? 1.600   18.865  16.258  1.00 27.89 ? 45  SER C CB  1 
ATOM   2046 O OG  . SER C 1 31  ? 1.283   17.985  15.195  1.00 29.01 ? 45  SER C OG  1 
ATOM   2047 N N   . ALA C 1 32  ? 1.931   20.386  13.384  1.00 32.59 ? 46  ALA C N   1 
ATOM   2048 C CA  . ALA C 1 32  ? 1.192   20.809  12.205  1.00 34.25 ? 46  ALA C CA  1 
ATOM   2049 C C   . ALA C 1 32  ? 0.183   19.768  11.741  1.00 35.49 ? 46  ALA C C   1 
ATOM   2050 O O   . ALA C 1 32  ? -0.538  20.014  10.768  1.00 36.76 ? 46  ALA C O   1 
ATOM   2051 C CB  . ALA C 1 32  ? 2.156   21.158  11.068  1.00 35.22 ? 46  ALA C CB  1 
ATOM   2052 N N   . VAL C 1 33  ? 0.115   18.615  12.410  1.00 35.07 ? 47  VAL C N   1 
ATOM   2053 C CA  . VAL C 1 33  ? -0.795  17.536  12.052  1.00 35.52 ? 47  VAL C CA  1 
ATOM   2054 C C   . VAL C 1 33  ? -1.508  17.051  13.309  1.00 35.15 ? 47  VAL C C   1 
ATOM   2055 O O   . VAL C 1 33  ? -1.141  17.390  14.434  1.00 34.68 ? 47  VAL C O   1 
ATOM   2056 C CB  . VAL C 1 33  ? -0.076  16.355  11.364  1.00 36.06 ? 47  VAL C CB  1 
ATOM   2057 C CG1 . VAL C 1 33  ? 0.603   16.806  10.077  1.00 36.42 ? 47  VAL C CG1 1 
ATOM   2058 C CG2 . VAL C 1 33  ? 0.925   15.712  12.321  1.00 36.08 ? 47  VAL C CG2 1 
ATOM   2059 N N   . GLY C 1 34  ? -2.542  16.240  13.095  1.00 35.83 ? 48  GLY C N   1 
ATOM   2060 C CA  . GLY C 1 34  ? -3.223  15.572  14.183  1.00 37.19 ? 48  GLY C CA  1 
ATOM   2061 C C   . GLY C 1 34  ? -4.170  16.474  14.951  1.00 39.16 ? 48  GLY C C   1 
ATOM   2062 O O   . GLY C 1 34  ? -4.412  17.635  14.613  1.00 38.81 ? 48  GLY C O   1 
ATOM   2063 N N   . ASN C 1 35  ? -4.716  15.903  16.026  1.00 41.24 ? 49  ASN C N   1 
ATOM   2064 C CA  . ASN C 1 35  ? -5.643  16.600  16.915  1.00 43.83 ? 49  ASN C CA  1 
ATOM   2065 C C   . ASN C 1 35  ? -4.873  17.537  17.849  1.00 43.59 ? 49  ASN C C   1 
ATOM   2066 O O   . ASN C 1 35  ? -4.879  17.394  19.072  1.00 43.40 ? 49  ASN C O   1 
ATOM   2067 C CB  . ASN C 1 35  ? -6.447  15.575  17.707  1.00 46.34 ? 49  ASN C CB  1 
ATOM   2068 C CG  . ASN C 1 35  ? -7.933  15.864  17.704  1.00 49.14 ? 49  ASN C CG  1 
ATOM   2069 O OD1 . ASN C 1 35  ? -8.489  16.311  16.700  1.00 51.36 ? 49  ASN C OD1 1 
ATOM   2070 N ND2 . ASN C 1 35  ? -8.588  15.606  18.832  1.00 49.55 ? 49  ASN C ND2 1 
ATOM   2071 N N   . ALA C 1 36  ? -4.197  18.516  17.245  1.00 42.65 ? 50  ALA C N   1 
ATOM   2072 C CA  . ALA C 1 36  ? -3.269  19.374  17.966  1.00 41.21 ? 50  ALA C CA  1 
ATOM   2073 C C   . ALA C 1 36  ? -3.559  20.841  17.689  1.00 40.62 ? 50  ALA C C   1 
ATOM   2074 O O   . ALA C 1 36  ? -3.982  21.217  16.592  1.00 40.92 ? 50  ALA C O   1 
ATOM   2075 C CB  . ALA C 1 36  ? -1.814  19.071  17.586  1.00 40.75 ? 50  ALA C CB  1 
ATOM   2076 N N   . GLU C 1 37  ? -3.318  21.669  18.705  1.00 39.37 ? 51  GLU C N   1 
ATOM   2077 C CA  . GLU C 1 37  ? -3.400  23.116  18.562  1.00 38.90 ? 51  GLU C CA  1 
ATOM   2078 C C   . GLU C 1 37  ? -2.533  23.745  19.641  1.00 35.68 ? 51  GLU C C   1 
ATOM   2079 O O   . GLU C 1 37  ? -2.581  23.318  20.799  1.00 35.01 ? 51  GLU C O   1 
ATOM   2080 C CB  . GLU C 1 37  ? -4.844  23.610  18.698  1.00 41.41 ? 51  GLU C CB  1 
ATOM   2081 C CG  . GLU C 1 37  ? -4.986  25.112  18.518  1.00 43.73 ? 51  GLU C CG  1 
ATOM   2082 C CD  . GLU C 1 37  ? -6.376  25.619  18.845  1.00 45.44 ? 51  GLU C CD  1 
ATOM   2083 O OE1 . GLU C 1 37  ? -7.215  24.814  19.302  1.00 46.05 ? 51  GLU C OE1 1 
ATOM   2084 O OE2 . GLU C 1 37  ? -6.629  26.826  18.647  1.00 46.19 ? 51  GLU C OE2 1 
ATOM   2085 N N   . SER C 1 38  ? -1.744  24.748  19.252  1.00 33.25 ? 52  SER C N   1 
ATOM   2086 C CA  . SER C 1 38  ? -0.861  25.471  20.162  1.00 32.54 ? 52  SER C CA  1 
ATOM   2087 C C   . SER C 1 38  ? 0.254   24.573  20.690  1.00 30.67 ? 52  SER C C   1 
ATOM   2088 O O   . SER C 1 38  ? 0.531   23.511  20.120  1.00 31.06 ? 52  SER C O   1 
ATOM   2089 C CB  . SER C 1 38  ? -1.654  26.122  21.304  1.00 33.84 ? 52  SER C CB  1 
ATOM   2090 O OG  . SER C 1 38  ? -0.830  26.954  22.102  1.00 34.89 ? 52  SER C OG  1 
ATOM   2091 N N   . ARG C 1 39  ? 0.899   24.998  21.772  1.00 27.75 ? 53  ARG C N   1 
ATOM   2092 C CA  . ARG C 1 39  ? 2.088   24.339  22.286  1.00 26.26 ? 53  ARG C CA  1 
ATOM   2093 C C   . ARG C 1 39  ? 1.722   23.280  23.320  1.00 23.09 ? 53  ARG C C   1 
ATOM   2094 O O   . ARG C 1 39  ? 0.729   23.400  24.048  1.00 23.84 ? 53  ARG C O   1 
ATOM   2095 C CB  . ARG C 1 39  ? 3.030   25.366  22.922  1.00 27.53 ? 53  ARG C CB  1 
ATOM   2096 C CG  . ARG C 1 39  ? 3.538   26.444  21.967  1.00 29.73 ? 53  ARG C CG  1 
ATOM   2097 C CD  . ARG C 1 39  ? 4.607   27.317  22.608  1.00 30.91 ? 53  ARG C CD  1 
ATOM   2098 N NE  . ARG C 1 39  ? 5.331   28.101  21.614  0.63 32.09 ? 53  ARG C NE  1 
ATOM   2099 C CZ  . ARG C 1 39  ? 6.208   29.054  21.901  0.20 32.97 ? 53  ARG C CZ  1 
ATOM   2100 N NH1 . ARG C 1 39  ? 6.479   29.391  23.151  1.00 33.68 ? 53  ARG C NH1 1 
ATOM   2101 N NH2 . ARG C 1 39  ? 6.827   29.687  20.909  1.00 33.38 ? 53  ARG C NH2 1 
ATOM   2102 N N   . TYR C 1 40  ? 2.543   22.234  23.374  1.00 19.79 ? 54  TYR C N   1 
ATOM   2103 C CA  . TYR C 1 40  ? 2.424   21.174  24.366  1.00 17.22 ? 54  TYR C CA  1 
ATOM   2104 C C   . TYR C 1 40  ? 3.760   21.000  25.076  1.00 17.48 ? 54  TYR C C   1 
ATOM   2105 O O   . TYR C 1 40  ? 4.823   21.201  24.484  1.00 17.74 ? 54  TYR C O   1 
ATOM   2106 C CB  . TYR C 1 40  ? 2.038   19.831  23.713  1.00 17.15 ? 54  TYR C CB  1 
ATOM   2107 C CG  . TYR C 1 40  ? 0.692   19.842  23.023  1.00 17.27 ? 54  TYR C CG  1 
ATOM   2108 C CD1 . TYR C 1 40  ? 0.542   20.393  21.755  1.00 17.93 ? 54  TYR C CD1 1 
ATOM   2109 C CD2 . TYR C 1 40  ? -0.430  19.298  23.635  1.00 17.74 ? 54  TYR C CD2 1 
ATOM   2110 C CE1 . TYR C 1 40  ? -0.686  20.410  21.125  1.00 19.05 ? 54  TYR C CE1 1 
ATOM   2111 C CE2 . TYR C 1 40  ? -1.663  19.313  23.015  1.00 18.40 ? 54  TYR C CE2 1 
ATOM   2112 C CZ  . TYR C 1 40  ? -1.785  19.872  21.757  1.00 20.19 ? 54  TYR C CZ  1 
ATOM   2113 O OH  . TYR C 1 40  ? -3.010  19.885  21.132  1.00 22.64 ? 54  TYR C OH  1 
ATOM   2114 N N   . VAL C 1 41  ? 3.694   20.619  26.354  1.00 16.98 ? 55  VAL C N   1 
ATOM   2115 C CA  . VAL C 1 41  ? 4.900   20.355  27.132  1.00 16.48 ? 55  VAL C CA  1 
ATOM   2116 C C   . VAL C 1 41  ? 5.587   19.093  26.625  1.00 15.00 ? 55  VAL C C   1 
ATOM   2117 O O   . VAL C 1 41  ? 4.932   18.089  26.310  1.00 14.64 ? 55  VAL C O   1 
ATOM   2118 C CB  . VAL C 1 41  ? 4.522   20.197  28.616  1.00 16.68 ? 55  VAL C CB  1 
ATOM   2119 C CG1 . VAL C 1 41  ? 5.723   19.742  29.452  1.00 16.55 ? 55  VAL C CG1 1 
ATOM   2120 C CG2 . VAL C 1 41  ? 3.944   21.495  29.166  1.00 17.10 ? 55  VAL C CG2 1 
ATOM   2121 N N   . LEU C 1 42  ? 6.919   19.119  26.588  1.00 15.50 ? 56  LEU C N   1 
ATOM   2122 C CA  . LEU C 1 42  ? 7.705   17.913  26.362  1.00 15.55 ? 56  LEU C CA  1 
ATOM   2123 C C   . LEU C 1 42  ? 8.778   17.766  27.434  1.00 15.19 ? 56  LEU C C   1 
ATOM   2124 O O   . LEU C 1 42  ? 9.287   18.752  27.969  1.00 15.45 ? 56  LEU C O   1 
ATOM   2125 C CB  . LEU C 1 42  ? 8.386   17.926  24.989  1.00 17.55 ? 56  LEU C CB  1 
ATOM   2126 C CG  . LEU C 1 42  ? 9.525   18.927  24.775  1.00 18.65 ? 56  LEU C CG  1 
ATOM   2127 C CD1 . LEU C 1 42  ? 10.903  18.312  25.059  1.00 18.98 ? 56  LEU C CD1 1 
ATOM   2128 C CD2 . LEU C 1 42  ? 9.477   19.502  23.369  1.00 19.42 ? 56  LEU C CD2 1 
ATOM   2129 N N   A THR C 1 43  ? 9.107   16.515  27.760  0.77 14.88 ? 57  THR C N   1 
ATOM   2130 N N   B THR C 1 43  ? 9.137   16.518  27.717  0.23 14.67 ? 57  THR C N   1 
ATOM   2131 C CA  A THR C 1 43  ? 10.261  16.212  28.597  0.77 14.76 ? 57  THR C CA  1 
ATOM   2132 C CA  B THR C 1 43  ? 10.288  16.241  28.558  0.23 13.99 ? 57  THR C CA  1 
ATOM   2133 C C   A THR C 1 43  ? 10.962  14.976  28.050  0.77 13.55 ? 57  THR C C   1 
ATOM   2134 C C   B THR C 1 43  ? 10.964  14.974  28.059  0.23 13.63 ? 57  THR C C   1 
ATOM   2135 O O   A THR C 1 43  ? 10.325  14.100  27.458  0.77 13.11 ? 57  THR C O   1 
ATOM   2136 O O   B THR C 1 43  ? 10.317  14.087  27.495  0.23 13.21 ? 57  THR C O   1 
ATOM   2137 C CB  A THR C 1 43  ? 9.900   15.989  30.082  0.77 16.99 ? 57  THR C CB  1 
ATOM   2138 C CB  B THR C 1 43  ? 9.910   16.110  30.037  0.23 13.98 ? 57  THR C CB  1 
ATOM   2139 O OG1 A THR C 1 43  ? 8.960   14.914  30.201  0.77 18.04 ? 57  THR C OG1 1 
ATOM   2140 O OG1 B THR C 1 43  ? 11.087  15.839  30.805  0.23 13.51 ? 57  THR C OG1 1 
ATOM   2141 C CG2 A THR C 1 43  ? 9.351   17.273  30.735  0.77 17.47 ? 57  THR C CG2 1 
ATOM   2142 C CG2 B THR C 1 43  ? 8.924   14.989  30.227  0.23 14.08 ? 57  THR C CG2 1 
ATOM   2143 N N   . GLY C 1 44  ? 12.269  14.907  28.269  1.00 13.93 ? 58  GLY C N   1 
ATOM   2144 C CA  . GLY C 1 44  ? 13.033  13.761  27.825  1.00 14.05 ? 58  GLY C CA  1 
ATOM   2145 C C   . GLY C 1 44  ? 14.425  13.747  28.412  1.00 13.50 ? 58  GLY C C   1 
ATOM   2146 O O   . GLY C 1 44  ? 14.709  14.438  29.395  1.00 13.84 ? 58  GLY C O   1 
ATOM   2147 N N   . ARG C 1 45  ? 15.299  12.955  27.787  1.00 13.61 ? 59  ARG C N   1 
ATOM   2148 C CA  . ARG C 1 45  ? 16.657  12.750  28.267  1.00 14.19 ? 59  ARG C CA  1 
ATOM   2149 C C   . ARG C 1 45  ? 17.603  12.623  27.082  1.00 14.11 ? 59  ARG C C   1 
ATOM   2150 O O   . ARG C 1 45  ? 17.193  12.233  25.987  1.00 14.33 ? 59  ARG C O   1 
ATOM   2151 C CB  . ARG C 1 45  ? 16.776  11.462  29.094  1.00 13.72 ? 59  ARG C CB  1 
ATOM   2152 C CG  . ARG C 1 45  ? 15.845  11.364  30.302  1.00 14.09 ? 59  ARG C CG  1 
ATOM   2153 C CD  . ARG C 1 45  ? 16.283  12.277  31.438  1.00 15.00 ? 59  ARG C CD  1 
ATOM   2154 N NE  . ARG C 1 45  ? 17.587  11.882  31.950  1.00 14.56 ? 59  ARG C NE  1 
ATOM   2155 C CZ  . ARG C 1 45  ? 18.334  12.635  32.740  1.00 15.03 ? 59  ARG C CZ  1 
ATOM   2156 N NH1 . ARG C 1 45  ? 17.918  13.822  33.154  1.00 15.78 ? 59  ARG C NH1 1 
ATOM   2157 N NH2 . ARG C 1 45  ? 19.530  12.192  33.116  1.00 16.74 ? 59  ARG C NH2 1 
ATOM   2158 N N   . TYR C 1 46  ? 18.874  12.948  27.317  1.00 15.06 ? 60  TYR C N   1 
ATOM   2159 C CA  . TYR C 1 46  ? 19.909  12.828  26.297  1.00 14.74 ? 60  TYR C CA  1 
ATOM   2160 C C   . TYR C 1 46  ? 21.218  12.427  26.966  1.00 14.57 ? 60  TYR C C   1 
ATOM   2161 O O   . TYR C 1 46  ? 21.417  12.651  28.167  1.00 15.74 ? 60  TYR C O   1 
ATOM   2162 C CB  . TYR C 1 46  ? 20.077  14.131  25.491  1.00 15.45 ? 60  TYR C CB  1 
ATOM   2163 C CG  . TYR C 1 46  ? 20.836  15.230  26.220  1.00 16.96 ? 60  TYR C CG  1 
ATOM   2164 C CD1 . TYR C 1 46  ? 20.249  15.942  27.264  1.00 17.20 ? 60  TYR C CD1 1 
ATOM   2165 C CD2 . TYR C 1 46  ? 22.140  15.550  25.866  1.00 18.53 ? 60  TYR C CD2 1 
ATOM   2166 C CE1 . TYR C 1 46  ? 20.949  16.946  27.934  1.00 18.33 ? 60  TYR C CE1 1 
ATOM   2167 C CE2 . TYR C 1 46  ? 22.840  16.549  26.525  1.00 19.59 ? 60  TYR C CE2 1 
ATOM   2168 C CZ  . TYR C 1 46  ? 22.243  17.243  27.554  1.00 19.83 ? 60  TYR C CZ  1 
ATOM   2169 O OH  . TYR C 1 46  ? 22.945  18.241  28.207  1.00 21.71 ? 60  TYR C OH  1 
ATOM   2170 N N   . ASP C 1 47  ? 22.105  11.813  26.179  1.00 15.27 ? 61  ASP C N   1 
ATOM   2171 C CA  . ASP C 1 47  ? 23.442  11.448  26.644  1.00 15.57 ? 61  ASP C CA  1 
ATOM   2172 C C   . ASP C 1 47  ? 24.285  12.714  26.773  1.00 15.58 ? 61  ASP C C   1 
ATOM   2173 O O   . ASP C 1 47  ? 24.676  13.324  25.770  1.00 16.45 ? 61  ASP C O   1 
ATOM   2174 C CB  . ASP C 1 47  ? 24.052  10.454  25.655  1.00 15.97 ? 61  ASP C CB  1 
ATOM   2175 C CG  . ASP C 1 47  ? 25.470  10.024  26.021  1.00 16.29 ? 61  ASP C CG  1 
ATOM   2176 O OD1 . ASP C 1 47  ? 25.985  10.432  27.085  1.00 17.34 ? 61  ASP C OD1 1 
ATOM   2177 O OD2 . ASP C 1 47  ? 26.079  9.272   25.217  1.00 16.40 ? 61  ASP C OD2 1 
ATOM   2178 N N   . SER C 1 48  ? 24.559  13.124  28.013  1.00 17.12 ? 62  SER C N   1 
ATOM   2179 C CA  . SER C 1 48  ? 25.316  14.347  28.262  1.00 18.61 ? 62  SER C CA  1 
ATOM   2180 C C   . SER C 1 48  ? 26.823  14.173  28.102  1.00 20.01 ? 62  SER C C   1 
ATOM   2181 O O   . SER C 1 48  ? 27.558  15.157  28.259  1.00 21.48 ? 62  SER C O   1 
ATOM   2182 C CB  . SER C 1 48  ? 25.006  14.887  29.659  1.00 20.50 ? 62  SER C CB  1 
ATOM   2183 O OG  . SER C 1 48  ? 25.300  13.908  30.635  1.00 21.77 ? 62  SER C OG  1 
ATOM   2184 N N   . ALA C 1 49  ? 27.304  12.964  27.808  1.00 19.19 ? 63  ALA C N   1 
ATOM   2185 C CA  . ALA C 1 49  ? 28.731  12.715  27.586  1.00 19.11 ? 63  ALA C CA  1 
ATOM   2186 C C   . ALA C 1 49  ? 28.893  11.738  26.432  1.00 18.72 ? 63  ALA C C   1 
ATOM   2187 O O   . ALA C 1 49  ? 29.314  10.591  26.618  1.00 18.84 ? 63  ALA C O   1 
ATOM   2188 C CB  . ALA C 1 49  ? 29.397  12.181  28.856  1.00 19.93 ? 63  ALA C CB  1 
ATOM   2189 N N   . PRO C 1 50  ? 28.589  12.173  25.212  1.00 19.45 ? 64  PRO C N   1 
ATOM   2190 C CA  . PRO C 1 50  ? 28.634  11.260  24.063  1.00 19.79 ? 64  PRO C CA  1 
ATOM   2191 C C   . PRO C 1 50  ? 30.057  10.820  23.750  1.00 20.96 ? 64  PRO C C   1 
ATOM   2192 O O   . PRO C 1 50  ? 31.044  11.374  24.238  1.00 22.05 ? 64  PRO C O   1 
ATOM   2193 C CB  . PRO C 1 50  ? 28.046  12.100  22.925  1.00 20.57 ? 64  PRO C CB  1 
ATOM   2194 C CG  . PRO C 1 50  ? 28.337  13.520  23.320  1.00 21.31 ? 64  PRO C CG  1 
ATOM   2195 C CD  . PRO C 1 50  ? 28.221  13.546  24.821  1.00 20.18 ? 64  PRO C CD  1 
ATOM   2196 N N   . ALA C 1 51  ? 30.148  9.780   22.924  1.00 20.92 ? 65  ALA C N   1 
ATOM   2197 C CA  . ALA C 1 51  ? 31.441  9.316   22.446  1.00 21.88 ? 65  ALA C CA  1 
ATOM   2198 C C   . ALA C 1 51  ? 32.137  10.415  21.648  1.00 23.95 ? 65  ALA C C   1 
ATOM   2199 O O   . ALA C 1 51  ? 31.511  11.359  21.159  1.00 25.28 ? 65  ALA C O   1 
ATOM   2200 C CB  . ALA C 1 51  ? 31.273  8.075   21.568  1.00 22.35 ? 65  ALA C CB  1 
ATOM   2201 N N   . THR C 1 52  ? 33.459  10.285  21.531  1.00 23.99 ? 66  THR C N   1 
ATOM   2202 C CA  . THR C 1 52  ? 34.291  11.232  20.795  1.00 25.05 ? 66  THR C CA  1 
ATOM   2203 C C   . THR C 1 52  ? 34.897  10.605  19.541  1.00 26.07 ? 66  THR C C   1 
ATOM   2204 O O   . THR C 1 52  ? 36.024  10.928  19.156  1.00 27.61 ? 66  THR C O   1 
ATOM   2205 C CB  . THR C 1 52  ? 35.372  11.829  21.699  1.00 25.86 ? 66  THR C CB  1 
ATOM   2206 O OG1 . THR C 1 52  ? 36.101  10.776  22.345  1.00 26.24 ? 66  THR C OG1 1 
ATOM   2207 C CG2 . THR C 1 52  ? 34.746  12.724  22.765  1.00 26.41 ? 66  THR C CG2 1 
ATOM   2208 N N   . ASP C 1 53  ? 34.153  9.706   18.894  1.00 25.80 ? 67  ASP C N   1 
ATOM   2209 C CA  . ASP C 1 53  ? 34.615  8.990   17.710  1.00 26.62 ? 67  ASP C CA  1 
ATOM   2210 C C   . ASP C 1 53  ? 33.810  9.346   16.464  1.00 26.49 ? 67  ASP C C   1 
ATOM   2211 O O   . ASP C 1 53  ? 33.854  8.611   15.471  1.00 28.63 ? 67  ASP C O   1 
ATOM   2212 C CB  . ASP C 1 53  ? 34.565  7.481   17.959  1.00 27.68 ? 67  ASP C CB  1 
ATOM   2213 C CG  . ASP C 1 53  ? 33.167  6.993   18.295  1.00 29.84 ? 67  ASP C CG  1 
ATOM   2214 O OD1 . ASP C 1 53  ? 32.222  7.809   18.271  1.00 28.29 ? 67  ASP C OD1 1 
ATOM   2215 O OD2 . ASP C 1 53  ? 33.010  5.791   18.590  1.00 32.61 ? 67  ASP C OD2 1 
ATOM   2216 N N   . GLY C 1 54  ? 33.061  10.445  16.504  1.00 25.61 ? 68  GLY C N   1 
ATOM   2217 C CA  . GLY C 1 54  ? 32.196  10.829  15.412  1.00 24.76 ? 68  GLY C CA  1 
ATOM   2218 C C   . GLY C 1 54  ? 30.764  10.349  15.518  1.00 24.22 ? 68  GLY C C   1 
ATOM   2219 O O   . GLY C 1 54  ? 29.956  10.659  14.629  1.00 25.88 ? 68  GLY C O   1 
ATOM   2220 N N   . SER C 1 55  ? 30.418  9.607   16.567  1.00 23.10 ? 69  SER C N   1 
ATOM   2221 C CA  . SER C 1 55  ? 29.056  9.119   16.718  1.00 23.15 ? 69  SER C CA  1 
ATOM   2222 C C   . SER C 1 55  ? 28.122  10.253  17.130  1.00 20.85 ? 69  SER C C   1 
ATOM   2223 O O   . SER C 1 55  ? 28.537  11.254  17.722  1.00 20.10 ? 69  SER C O   1 
ATOM   2224 C CB  . SER C 1 55  ? 28.998  8.027   17.786  1.00 25.20 ? 69  SER C CB  1 
ATOM   2225 O OG  . SER C 1 55  ? 29.742  6.889   17.387  1.00 27.12 ? 69  SER C OG  1 
ATOM   2226 N N   . GLY C 1 56  ? 26.842  10.076  16.821  1.00 19.44 ? 70  GLY C N   1 
ATOM   2227 C CA  . GLY C 1 56  ? 25.817  11.002  17.258  1.00 18.79 ? 70  GLY C CA  1 
ATOM   2228 C C   . GLY C 1 56  ? 25.518  10.880  18.749  1.00 17.85 ? 70  GLY C C   1 
ATOM   2229 O O   . GLY C 1 56  ? 26.043  10.028  19.467  1.00 17.77 ? 70  GLY C O   1 
ATOM   2230 N N   . THR C 1 57  ? 24.633  11.760  19.215  1.00 17.31 ? 71  THR C N   1 
ATOM   2231 C CA  . THR C 1 57  ? 24.246  11.839  20.623  1.00 16.93 ? 71  THR C CA  1 
ATOM   2232 C C   . THR C 1 57  ? 22.838  11.275  20.787  1.00 15.93 ? 71  THR C C   1 
ATOM   2233 O O   . THR C 1 57  ? 21.873  11.849  20.273  1.00 16.36 ? 71  THR C O   1 
ATOM   2234 C CB  . THR C 1 57  ? 24.277  13.292  21.098  1.00 17.89 ? 71  THR C CB  1 
ATOM   2235 O OG1 . THR C 1 57  ? 25.601  13.816  20.944  1.00 18.78 ? 71  THR C OG1 1 
ATOM   2236 C CG2 . THR C 1 57  ? 23.863  13.391  22.564  1.00 18.61 ? 71  THR C CG2 1 
ATOM   2237 N N   . ALA C 1 58  ? 22.716  10.170  21.520  1.00 15.20 ? 72  ALA C N   1 
ATOM   2238 C CA  . ALA C 1 58  ? 21.412  9.542   21.692  1.00 14.78 ? 72  ALA C CA  1 
ATOM   2239 C C   . ALA C 1 58  ? 20.500  10.383  22.586  1.00 15.07 ? 72  ALA C C   1 
ATOM   2240 O O   . ALA C 1 58  ? 20.944  11.018  23.551  1.00 15.31 ? 72  ALA C O   1 
ATOM   2241 C CB  . ALA C 1 58  ? 21.572  8.149   22.294  1.00 15.22 ? 72  ALA C CB  1 
ATOM   2242 N N   . LEU C 1 59  ? 19.206  10.359  22.273  1.00 13.86 ? 73  LEU C N   1 
ATOM   2243 C CA  . LEU C 1 59  ? 18.219  11.134  23.020  1.00 14.35 ? 73  LEU C CA  1 
ATOM   2244 C C   . LEU C 1 59  ? 16.817  10.577  22.794  1.00 13.74 ? 73  LEU C C   1 
ATOM   2245 O O   . LEU C 1 59  ? 16.585  9.746   21.915  1.00 13.76 ? 73  LEU C O   1 
ATOM   2246 C CB  . LEU C 1 59  ? 18.273  12.624  22.646  1.00 16.24 ? 73  LEU C CB  1 
ATOM   2247 C CG  . LEU C 1 59  ? 18.268  13.017  21.155  1.00 20.76 ? 73  LEU C CG  1 
ATOM   2248 C CD1 . LEU C 1 59  ? 17.014  12.620  20.374  1.00 22.49 ? 73  LEU C CD1 1 
ATOM   2249 C CD2 . LEU C 1 59  ? 18.500  14.514  20.994  1.00 21.77 ? 73  LEU C CD2 1 
ATOM   2250 N N   . GLY C 1 60  ? 15.871  11.093  23.570  1.00 13.66 ? 74  GLY C N   1 
ATOM   2251 C CA  . GLY C 1 60  ? 14.463  10.808  23.357  1.00 14.50 ? 74  GLY C CA  1 
ATOM   2252 C C   . GLY C 1 60  ? 13.606  11.769  24.150  1.00 13.28 ? 74  GLY C C   1 
ATOM   2253 O O   . GLY C 1 60  ? 14.061  12.371  25.132  1.00 13.03 ? 74  GLY C O   1 
ATOM   2254 N N   . TRP C 1 61  ? 12.349  11.913  23.720  1.00 12.04 ? 75  TRP C N   1 
ATOM   2255 C CA  . TRP C 1 61  ? 11.420  12.756  24.474  1.00 12.42 ? 75  TRP C CA  1 
ATOM   2256 C C   . TRP C 1 61  ? 9.981   12.324  24.229  1.00 11.56 ? 75  TRP C C   1 
ATOM   2257 O O   . TRP C 1 61  ? 9.686   11.581  23.290  1.00 11.85 ? 75  TRP C O   1 
ATOM   2258 C CB  . TRP C 1 61  ? 11.628  14.249  24.189  1.00 12.85 ? 75  TRP C CB  1 
ATOM   2259 C CG  . TRP C 1 61  ? 11.194  14.690  22.805  1.00 13.94 ? 75  TRP C CG  1 
ATOM   2260 C CD1 . TRP C 1 61  ? 9.977   15.210  22.458  1.00 14.82 ? 75  TRP C CD1 1 
ATOM   2261 C CD2 . TRP C 1 61  ? 11.984  14.682  21.602  1.00 14.43 ? 75  TRP C CD2 1 
ATOM   2262 N NE1 . TRP C 1 61  ? 9.958   15.525  21.109  1.00 14.91 ? 75  TRP C NE1 1 
ATOM   2263 C CE2 . TRP C 1 61  ? 11.174  15.197  20.562  1.00 14.13 ? 75  TRP C CE2 1 
ATOM   2264 C CE3 . TRP C 1 61  ? 13.291  14.276  21.302  1.00 14.57 ? 75  TRP C CE3 1 
ATOM   2265 C CZ2 . TRP C 1 61  ? 11.633  15.315  19.236  1.00 15.88 ? 75  TRP C CZ2 1 
ATOM   2266 C CZ3 . TRP C 1 61  ? 13.744  14.400  19.981  1.00 15.31 ? 75  TRP C CZ3 1 
ATOM   2267 C CH2 . TRP C 1 61  ? 12.915  14.917  18.974  1.00 15.79 ? 75  TRP C CH2 1 
ATOM   2268 N N   . THR C 1 62  ? 9.078   12.816  25.091  1.00 12.37 ? 76  THR C N   1 
ATOM   2269 C CA  . THR C 1 62  ? 7.656   12.497  25.047  1.00 12.89 ? 76  THR C CA  1 
ATOM   2270 C C   . THR C 1 62  ? 6.826   13.773  25.055  1.00 12.17 ? 76  THR C C   1 
ATOM   2271 O O   . THR C 1 62  ? 7.153   14.731  25.766  1.00 12.50 ? 76  THR C O   1 
ATOM   2272 C CB  . THR C 1 62  ? 7.251   11.678  26.291  1.00 12.82 ? 76  THR C CB  1 
ATOM   2273 O OG1 . THR C 1 62  ? 8.044   10.495  26.388  1.00 12.09 ? 76  THR C OG1 1 
ATOM   2274 C CG2 . THR C 1 62  ? 5.770   11.292  26.251  1.00 13.30 ? 76  THR C CG2 1 
ATOM   2275 N N   . VAL C 1 63  ? 5.727   13.758  24.297  1.00 13.11 ? 77  VAL C N   1 
ATOM   2276 C CA  . VAL C 1 63  ? 4.649   14.739  24.393  1.00 12.80 ? 77  VAL C CA  1 
ATOM   2277 C C   . VAL C 1 63  ? 3.348   13.974  24.629  1.00 13.06 ? 77  VAL C C   1 
ATOM   2278 O O   . VAL C 1 63  ? 3.004   13.072  23.851  1.00 12.93 ? 77  VAL C O   1 
ATOM   2279 C CB  . VAL C 1 63  ? 4.534   15.586  23.114  1.00 14.56 ? 77  VAL C CB  1 
ATOM   2280 C CG1 . VAL C 1 63  ? 3.274   16.435  23.152  1.00 15.55 ? 77  VAL C CG1 1 
ATOM   2281 C CG2 . VAL C 1 63  ? 5.784   16.432  22.918  1.00 14.75 ? 77  VAL C CG2 1 
ATOM   2282 N N   . ALA C 1 64  ? 2.640   14.310  25.707  1.00 13.33 ? 78  ALA C N   1 
ATOM   2283 C CA  . ALA C 1 64  ? 1.255   13.889  25.871  1.00 14.53 ? 78  ALA C CA  1 
ATOM   2284 C C   . ALA C 1 64  ? 0.379   14.984  25.278  1.00 14.53 ? 78  ALA C C   1 
ATOM   2285 O O   . ALA C 1 64  ? 0.553   16.164  25.603  1.00 15.09 ? 78  ALA C O   1 
ATOM   2286 C CB  . ALA C 1 64  ? 0.906   13.644  27.346  1.00 14.87 ? 78  ALA C CB  1 
ATOM   2287 N N   . TRP C 1 65  ? -0.548  14.595  24.404  1.00 15.43 ? 79  TRP C N   1 
ATOM   2288 C CA  . TRP C 1 65  ? -1.281  15.560  23.589  1.00 15.95 ? 79  TRP C CA  1 
ATOM   2289 C C   . TRP C 1 65  ? -2.453  16.181  24.341  1.00 16.72 ? 79  TRP C C   1 
ATOM   2290 O O   . TRP C 1 65  ? -3.591  16.189  23.858  1.00 18.02 ? 79  TRP C O   1 
ATOM   2291 C CB  . TRP C 1 65  ? -1.692  14.926  22.255  1.00 16.81 ? 79  TRP C CB  1 
ATOM   2292 C CG  . TRP C 1 65  ? -0.490  14.525  21.451  1.00 16.11 ? 79  TRP C CG  1 
ATOM   2293 C CD1 . TRP C 1 65  ? -0.033  13.257  21.226  1.00 15.66 ? 79  TRP C CD1 1 
ATOM   2294 C CD2 . TRP C 1 65  ? 0.432   15.404  20.794  1.00 15.16 ? 79  TRP C CD2 1 
ATOM   2295 N NE1 . TRP C 1 65  ? 1.111   13.294  20.466  1.00 15.42 ? 79  TRP C NE1 1 
ATOM   2296 C CE2 . TRP C 1 65  ? 1.417   14.599  20.186  1.00 14.93 ? 79  TRP C CE2 1 
ATOM   2297 C CE3 . TRP C 1 65  ? 0.520   16.796  20.661  1.00 16.16 ? 79  TRP C CE3 1 
ATOM   2298 C CZ2 . TRP C 1 65  ? 2.468   15.137  19.447  1.00 16.55 ? 79  TRP C CZ2 1 
ATOM   2299 C CZ3 . TRP C 1 65  ? 1.562   17.326  19.935  1.00 17.71 ? 79  TRP C CZ3 1 
ATOM   2300 C CH2 . TRP C 1 65  ? 2.524   16.498  19.332  1.00 18.18 ? 79  TRP C CH2 1 
ATOM   2301 N N   . LYS C 1 66  ? -2.170  16.713  25.529  1.00 16.35 ? 80  LYS C N   1 
ATOM   2302 C CA  . LYS C 1 66  ? -3.129  17.475  26.314  1.00 17.27 ? 80  LYS C CA  1 
ATOM   2303 C C   . LYS C 1 66  ? -2.526  18.835  26.626  1.00 17.77 ? 80  LYS C C   1 
ATOM   2304 O O   . LYS C 1 66  ? -1.369  18.920  27.054  1.00 17.54 ? 80  LYS C O   1 
ATOM   2305 C CB  . LYS C 1 66  ? -3.466  16.751  27.621  1.00 17.76 ? 80  LYS C CB  1 
ATOM   2306 C CG  . LYS C 1 66  ? -4.321  17.588  28.567  1.00 18.33 ? 80  LYS C CG  1 
ATOM   2307 C CD  . LYS C 1 66  ? -4.599  16.866  29.880  1.00 21.22 ? 80  LYS C CD  1 
ATOM   2308 C CE  . LYS C 1 66  ? -5.326  17.762  30.877  1.00 24.18 ? 80  LYS C CE  1 
ATOM   2309 N NZ  . LYS C 1 66  ? -4.489  18.924  31.296  1.00 26.96 ? 80  LYS C NZ  1 
ATOM   2310 N N   . ASN C 1 67  ? -3.300  19.890  26.395  1.00 19.64 ? 81  ASN C N   1 
ATOM   2311 C CA  . ASN C 1 67  ? -2.966  21.230  26.873  1.00 21.92 ? 81  ASN C CA  1 
ATOM   2312 C C   . ASN C 1 67  ? -4.266  21.907  27.300  1.00 25.05 ? 81  ASN C C   1 
ATOM   2313 O O   . ASN C 1 67  ? -5.292  21.253  27.511  1.00 26.82 ? 81  ASN C O   1 
ATOM   2314 C CB  . ASN C 1 67  ? -2.108  22.012  25.861  1.00 22.74 ? 81  ASN C CB  1 
ATOM   2315 C CG  . ASN C 1 67  ? -2.838  22.304  24.559  1.00 23.06 ? 81  ASN C CG  1 
ATOM   2316 O OD1 . ASN C 1 67  ? -4.056  22.162  24.461  1.00 23.33 ? 81  ASN C OD1 1 
ATOM   2317 N ND2 . ASN C 1 67  ? -2.083  22.726  23.549  1.00 23.51 ? 81  ASN C ND2 1 
ATOM   2318 N N   . ASN C 1 68  ? -4.242  23.234  27.421  1.00 26.10 ? 82  ASN C N   1 
ATOM   2319 C CA  . ASN C 1 68  ? -5.435  23.958  27.844  1.00 28.84 ? 82  ASN C CA  1 
ATOM   2320 C C   . ASN C 1 68  ? -6.490  24.087  26.752  1.00 31.81 ? 82  ASN C C   1 
ATOM   2321 O O   . ASN C 1 68  ? -7.584  24.589  27.030  1.00 34.00 ? 82  ASN C O   1 
ATOM   2322 C CB  . ASN C 1 68  ? -5.067  25.346  28.379  1.00 29.71 ? 82  ASN C CB  1 
ATOM   2323 C CG  . ASN C 1 68  ? -4.371  25.285  29.723  1.00 30.51 ? 82  ASN C CG  1 
ATOM   2324 O OD1 . ASN C 1 68  ? -4.449  24.280  30.431  1.00 31.84 ? 82  ASN C OD1 1 
ATOM   2325 N ND2 . ASN C 1 68  ? -3.687  26.363  30.084  1.00 30.95 ? 82  ASN C ND2 1 
ATOM   2326 N N   . TYR C 1 69  ? -6.203  23.654  25.526  1.00 33.17 ? 83  TYR C N   1 
ATOM   2327 C CA  . TYR C 1 69  ? -7.138  23.818  24.425  1.00 35.09 ? 83  TYR C CA  1 
ATOM   2328 C C   . TYR C 1 69  ? -7.612  22.515  23.802  1.00 33.96 ? 83  TYR C C   1 
ATOM   2329 O O   . TYR C 1 69  ? -8.687  22.505  23.192  1.00 34.95 ? 83  TYR C O   1 
ATOM   2330 C CB  . TYR C 1 69  ? -6.533  24.720  23.338  1.00 38.82 ? 83  TYR C CB  1 
ATOM   2331 C CG  . TYR C 1 69  ? -5.938  25.985  23.912  1.00 42.70 ? 83  TYR C CG  1 
ATOM   2332 C CD1 . TYR C 1 69  ? -6.756  26.999  24.398  1.00 44.53 ? 83  TYR C CD1 1 
ATOM   2333 C CD2 . TYR C 1 69  ? -4.562  26.158  23.989  1.00 44.37 ? 83  TYR C CD2 1 
ATOM   2334 C CE1 . TYR C 1 69  ? -6.221  28.154  24.936  1.00 45.78 ? 83  TYR C CE1 1 
ATOM   2335 C CE2 . TYR C 1 69  ? -4.016  27.313  24.525  1.00 45.67 ? 83  TYR C CE2 1 
ATOM   2336 C CZ  . TYR C 1 69  ? -4.851  28.306  24.997  1.00 46.68 ? 83  TYR C CZ  1 
ATOM   2337 O OH  . TYR C 1 69  ? -4.315  29.457  25.532  1.00 48.14 ? 83  TYR C OH  1 
ATOM   2338 N N   . ARG C 1 70  ? -6.861  21.423  23.948  1.00 31.19 ? 84  ARG C N   1 
ATOM   2339 C CA  . ARG C 1 70  ? -7.191  20.150  23.323  1.00 29.94 ? 84  ARG C CA  1 
ATOM   2340 C C   . ARG C 1 70  ? -6.701  19.017  24.214  1.00 26.65 ? 84  ARG C C   1 
ATOM   2341 O O   . ARG C 1 70  ? -5.735  19.174  24.965  1.00 26.53 ? 84  ARG C O   1 
ATOM   2342 C CB  . ARG C 1 70  ? -6.490  20.003  21.967  1.00 32.52 ? 84  ARG C CB  1 
ATOM   2343 C CG  . ARG C 1 70  ? -6.865  21.024  20.907  1.00 36.09 ? 84  ARG C CG  1 
ATOM   2344 C CD  . ARG C 1 70  ? -7.965  20.502  20.001  1.00 38.70 ? 84  ARG C CD  1 
ATOM   2345 N NE  . ARG C 1 70  ? -7.789  20.959  18.627  1.00 41.19 ? 84  ARG C NE  1 
ATOM   2346 C CZ  . ARG C 1 70  ? -8.153  22.154  18.185  1.00 42.70 ? 84  ARG C CZ  1 
ATOM   2347 N NH1 . ARG C 1 70  ? -8.719  23.044  18.984  1.00 43.28 ? 84  ARG C NH1 1 
ATOM   2348 N NH2 . ARG C 1 70  ? -7.940  22.467  16.909  1.00 43.47 ? 84  ARG C NH2 1 
ATOM   2349 N N   . ASN C 1 71  ? -7.367  17.868  24.116  1.00 24.18 ? 85  ASN C N   1 
ATOM   2350 C CA  . ASN C 1 71  ? -6.858  16.623  24.692  1.00 22.24 ? 85  ASN C CA  1 
ATOM   2351 C C   . ASN C 1 71  ? -7.212  15.484  23.746  1.00 22.45 ? 85  ASN C C   1 
ATOM   2352 O O   . ASN C 1 71  ? -8.383  15.107  23.635  1.00 23.59 ? 85  ASN C O   1 
ATOM   2353 C CB  . ASN C 1 71  ? -7.424  16.349  26.084  1.00 21.67 ? 85  ASN C CB  1 
ATOM   2354 C CG  . ASN C 1 71  ? -6.714  15.189  26.783  1.00 20.64 ? 85  ASN C CG  1 
ATOM   2355 O OD1 . ASN C 1 71  ? -5.882  14.502  26.182  1.00 20.56 ? 85  ASN C OD1 1 
ATOM   2356 N ND2 . ASN C 1 71  ? -7.037  14.972  28.054  1.00 21.29 ? 85  ASN C ND2 1 
ATOM   2357 N N   . ALA C 1 72  ? -6.201  14.932  23.084  1.00 21.20 ? 86  ALA C N   1 
ATOM   2358 C CA  . ALA C 1 72  ? -6.379  13.836  22.143  1.00 20.75 ? 86  ALA C CA  1 
ATOM   2359 C C   . ALA C 1 72  ? -6.297  12.464  22.799  1.00 20.00 ? 86  ALA C C   1 
ATOM   2360 O O   . ALA C 1 72  ? -6.489  11.457  22.110  1.00 20.49 ? 86  ALA C O   1 
ATOM   2361 C CB  . ALA C 1 72  ? -5.352  13.944  21.008  1.00 20.84 ? 86  ALA C CB  1 
ATOM   2362 N N   . HIS C 1 73  ? -6.031  12.399  24.104  1.00 18.91 ? 87  HIS C N   1 
ATOM   2363 C CA  . HIS C 1 73  ? -5.894  11.137  24.836  1.00 17.64 ? 87  HIS C CA  1 
ATOM   2364 C C   . HIS C 1 73  ? -4.879  10.216  24.156  1.00 15.69 ? 87  HIS C C   1 
ATOM   2365 O O   . HIS C 1 73  ? -5.175  9.074   23.785  1.00 16.26 ? 87  HIS C O   1 
ATOM   2366 C CB  . HIS C 1 73  ? -7.243  10.435  25.018  1.00 19.00 ? 87  HIS C CB  1 
ATOM   2367 C CG  . HIS C 1 73  ? -8.284  11.275  25.692  1.00 20.32 ? 87  HIS C CG  1 
ATOM   2368 N ND1 . HIS C 1 73  ? -8.105  11.820  26.946  1.00 20.52 ? 87  HIS C ND1 1 
ATOM   2369 C CD2 . HIS C 1 73  ? -9.521  11.653  25.291  1.00 21.65 ? 87  HIS C CD2 1 
ATOM   2370 C CE1 . HIS C 1 73  ? -9.184  12.505  27.285  1.00 21.15 ? 87  HIS C CE1 1 
ATOM   2371 N NE2 . HIS C 1 73  ? -10.060 12.415  26.300  1.00 22.35 ? 87  HIS C NE2 1 
ATOM   2372 N N   . SER C 1 74  ? -3.662  10.738  23.999  1.00 15.49 ? 88  SER C N   1 
ATOM   2373 C CA  . SER C 1 74  ? -2.615  10.063  23.238  1.00 14.64 ? 88  SER C CA  1 
ATOM   2374 C C   . SER C 1 74  ? -1.276  10.685  23.612  1.00 14.19 ? 88  SER C C   1 
ATOM   2375 O O   . SER C 1 74  ? -1.218  11.769  24.203  1.00 14.28 ? 88  SER C O   1 
ATOM   2376 C CB  . SER C 1 74  ? -2.864  10.169  21.727  1.00 16.40 ? 88  SER C CB  1 
ATOM   2377 O OG  . SER C 1 74  ? -2.829  11.518  21.303  1.00 18.50 ? 88  SER C OG  1 
ATOM   2378 N N   . ALA C 1 75  ? -0.194  9.990   23.259  1.00 14.14 ? 89  ALA C N   1 
ATOM   2379 C CA  . ALA C 1 75  ? 1.150   10.486  23.522  1.00 13.65 ? 89  ALA C CA  1 
ATOM   2380 C C   . ALA C 1 75  ? 2.108   9.953   22.465  1.00 12.79 ? 89  ALA C C   1 
ATOM   2381 O O   . ALA C 1 75  ? 1.990   8.801   22.035  1.00 13.45 ? 89  ALA C O   1 
ATOM   2382 C CB  . ALA C 1 75  ? 1.644   10.077  24.919  1.00 14.85 ? 89  ALA C CB  1 
ATOM   2383 N N   . THR C 1 76  ? 3.060   10.793  22.056  1.00 13.13 ? 90  THR C N   1 
ATOM   2384 C CA  . THR C 1 76  ? 4.120   10.400  21.134  1.00 12.04 ? 90  THR C CA  1 
ATOM   2385 C C   . THR C 1 76  ? 5.463   10.403  21.857  1.00 12.37 ? 90  THR C C   1 
ATOM   2386 O O   . THR C 1 76  ? 5.762   11.321  22.629  1.00 12.75 ? 90  THR C O   1 
ATOM   2387 C CB  . THR C 1 76  ? 4.189   11.385  19.956  1.00 13.05 ? 90  THR C CB  1 
ATOM   2388 O OG1 . THR C 1 76  ? 2.923   11.416  19.290  1.00 14.44 ? 90  THR C OG1 1 
ATOM   2389 C CG2 . THR C 1 76  ? 5.284   10.993  18.962  1.00 14.10 ? 90  THR C CG2 1 
ATOM   2390 N N   . THR C 1 77  ? 6.282   9.382   21.599  1.00 13.25 ? 91  THR C N   1 
ATOM   2391 C CA  . THR C 1 77  ? 7.686   9.388   21.980  1.00 12.58 ? 91  THR C CA  1 
ATOM   2392 C C   . THR C 1 77  ? 8.555   9.391   20.728  1.00 12.22 ? 91  THR C C   1 
ATOM   2393 O O   . THR C 1 77  ? 8.289   8.649   19.778  1.00 13.94 ? 91  THR C O   1 
ATOM   2394 C CB  . THR C 1 77  ? 8.057   8.166   22.834  1.00 13.93 ? 91  THR C CB  1 
ATOM   2395 O OG1 . THR C 1 77  ? 7.837   6.953   22.100  1.00 14.85 ? 91  THR C OG1 1 
ATOM   2396 C CG2 . THR C 1 77  ? 7.232   8.114   24.102  1.00 15.17 ? 91  THR C CG2 1 
ATOM   2397 N N   . TRP C 1 78  ? 9.600   10.208  20.740  1.00 11.62 ? 92  TRP C N   1 
ATOM   2398 C CA  . TRP C 1 78  ? 10.603  10.236  19.683  1.00 11.38 ? 92  TRP C CA  1 
ATOM   2399 C C   . TRP C 1 78  ? 11.902  9.677   20.247  1.00 11.95 ? 92  TRP C C   1 
ATOM   2400 O O   . TRP C 1 78  ? 12.346  10.107  21.318  1.00 12.33 ? 92  TRP C O   1 
ATOM   2401 C CB  . TRP C 1 78  ? 10.864  11.672  19.223  1.00 12.04 ? 92  TRP C CB  1 
ATOM   2402 C CG  . TRP C 1 78  ? 9.780   12.357  18.453  1.00 12.40 ? 92  TRP C CG  1 
ATOM   2403 C CD1 . TRP C 1 78  ? 9.742   12.553  17.098  1.00 13.06 ? 92  TRP C CD1 1 
ATOM   2404 C CD2 . TRP C 1 78  ? 8.622   13.020  18.984  1.00 12.50 ? 92  TRP C CD2 1 
ATOM   2405 N NE1 . TRP C 1 78  ? 8.622   13.271  16.754  1.00 13.79 ? 92  TRP C NE1 1 
ATOM   2406 C CE2 . TRP C 1 78  ? 7.917   13.572  17.890  1.00 12.93 ? 92  TRP C CE2 1 
ATOM   2407 C CE3 . TRP C 1 78  ? 8.103   13.185  20.273  1.00 13.22 ? 92  TRP C CE3 1 
ATOM   2408 C CZ2 . TRP C 1 78  ? 6.722   14.284  18.046  1.00 14.51 ? 92  TRP C CZ2 1 
ATOM   2409 C CZ3 . TRP C 1 78  ? 6.915   13.899  20.430  1.00 13.71 ? 92  TRP C CZ3 1 
ATOM   2410 C CH2 . TRP C 1 78  ? 6.239   14.439  19.322  1.00 14.63 ? 92  TRP C CH2 1 
ATOM   2411 N N   . SER C 1 79  ? 12.503  8.721   19.540  1.00 12.67 ? 93  SER C N   1 
ATOM   2412 C CA  . SER C 1 79  ? 13.795  8.154   19.909  1.00 13.23 ? 93  SER C CA  1 
ATOM   2413 C C   . SER C 1 79  ? 14.761  8.396   18.756  1.00 13.88 ? 93  SER C C   1 
ATOM   2414 O O   . SER C 1 79  ? 14.424  8.108   17.608  1.00 13.86 ? 93  SER C O   1 
ATOM   2415 C CB  . SER C 1 79  ? 13.642  6.651   20.152  1.00 14.34 ? 93  SER C CB  1 
ATOM   2416 O OG  . SER C 1 79  ? 14.881  6.052   20.482  1.00 15.39 ? 93  SER C OG  1 
ATOM   2417 N N   . GLY C 1 80  ? 15.955  8.908   19.034  1.00 13.05 ? 94  GLY C N   1 
ATOM   2418 C CA  . GLY C 1 80  ? 16.858  9.201   17.927  1.00 13.39 ? 94  GLY C CA  1 
ATOM   2419 C C   . GLY C 1 80  ? 18.223  9.679   18.367  1.00 13.90 ? 94  GLY C C   1 
ATOM   2420 O O   . GLY C 1 80  ? 18.671  9.396   19.480  1.00 14.08 ? 94  GLY C O   1 
ATOM   2421 N N   . GLN C 1 81  ? 18.904  10.386  17.468  1.00 16.13 ? 95  GLN C N   1 
ATOM   2422 C CA  . GLN C 1 81  ? 20.227  10.897  17.782  1.00 17.19 ? 95  GLN C CA  1 
ATOM   2423 C C   . GLN C 1 81  ? 20.450  12.246  17.118  1.00 16.35 ? 95  GLN C C   1 
ATOM   2424 O O   . GLN C 1 81  ? 19.966  12.506  16.012  1.00 17.01 ? 95  GLN C O   1 
ATOM   2425 C CB  . GLN C 1 81  ? 21.355  9.920   17.420  1.00 19.04 ? 95  GLN C CB  1 
ATOM   2426 C CG  . GLN C 1 81  ? 21.389  9.475   15.972  1.00 20.02 ? 95  GLN C CG  1 
ATOM   2427 C CD  . GLN C 1 81  ? 22.509  8.483   15.712  1.00 20.52 ? 95  GLN C CD  1 
ATOM   2428 O OE1 . GLN C 1 81  ? 23.638  8.670   16.167  1.00 19.81 ? 95  GLN C OE1 1 
ATOM   2429 N NE2 . GLN C 1 81  ? 22.200  7.416   14.978  1.00 21.00 ? 95  GLN C NE2 1 
ATOM   2430 N N   . TYR C 1 82  ? 21.173  13.107  17.830  1.00 16.95 ? 96  TYR C N   1 
ATOM   2431 C CA  . TYR C 1 82  ? 21.609  14.394  17.314  1.00 17.22 ? 96  TYR C CA  1 
ATOM   2432 C C   . TYR C 1 82  ? 22.933  14.201  16.593  1.00 18.44 ? 96  TYR C C   1 
ATOM   2433 O O   . TYR C 1 82  ? 23.840  13.541  17.110  1.00 18.74 ? 96  TYR C O   1 
ATOM   2434 C CB  . TYR C 1 82  ? 21.785  15.363  18.487  1.00 17.94 ? 96  TYR C CB  1 
ATOM   2435 C CG  . TYR C 1 82  ? 22.662  16.559  18.206  1.00 19.97 ? 96  TYR C CG  1 
ATOM   2436 C CD1 . TYR C 1 82  ? 22.141  17.703  17.616  1.00 20.22 ? 96  TYR C CD1 1 
ATOM   2437 C CD2 . TYR C 1 82  ? 24.008  16.562  18.564  1.00 21.89 ? 96  TYR C CD2 1 
ATOM   2438 C CE1 . TYR C 1 82  ? 22.937  18.801  17.365  1.00 21.87 ? 96  TYR C CE1 1 
ATOM   2439 C CE2 . TYR C 1 82  ? 24.810  17.658  18.314  1.00 22.94 ? 96  TYR C CE2 1 
ATOM   2440 C CZ  . TYR C 1 82  ? 24.270  18.775  17.722  1.00 22.95 ? 96  TYR C CZ  1 
ATOM   2441 O OH  . TYR C 1 82  ? 25.063  19.871  17.472  1.00 25.22 ? 96  TYR C OH  1 
ATOM   2442 N N   . VAL C 1 83  ? 23.032  14.758  15.391  1.00 19.51 ? 97  VAL C N   1 
ATOM   2443 C CA  . VAL C 1 83  ? 24.234  14.683  14.573  1.00 23.37 ? 97  VAL C CA  1 
ATOM   2444 C C   . VAL C 1 83  ? 24.655  16.118  14.298  1.00 25.56 ? 97  VAL C C   1 
ATOM   2445 O O   . VAL C 1 83  ? 23.947  16.859  13.602  1.00 26.09 ? 97  VAL C O   1 
ATOM   2446 C CB  . VAL C 1 83  ? 23.984  13.915  13.267  1.00 25.49 ? 97  VAL C CB  1 
ATOM   2447 C CG1 . VAL C 1 83  ? 25.240  13.882  12.401  1.00 26.40 ? 97  VAL C CG1 1 
ATOM   2448 C CG2 . VAL C 1 83  ? 23.509  12.507  13.572  1.00 26.62 ? 97  VAL C CG2 1 
ATOM   2449 N N   . GLY C 1 84  ? 25.788  16.523  14.866  1.00 28.12 ? 98  GLY C N   1 
ATOM   2450 C CA  . GLY C 1 84  ? 26.275  17.870  14.688  1.00 30.70 ? 98  GLY C CA  1 
ATOM   2451 C C   . GLY C 1 84  ? 26.958  18.052  13.349  1.00 33.32 ? 98  GLY C C   1 
ATOM   2452 O O   . GLY C 1 84  ? 27.125  17.120  12.561  1.00 34.14 ? 98  GLY C O   1 
ATOM   2453 N N   . GLY C 1 85  ? 27.355  19.287  13.087  1.00 35.67 ? 99  GLY C N   1 
ATOM   2454 C CA  . GLY C 1 85  ? 28.088  19.602  11.883  1.00 37.68 ? 99  GLY C CA  1 
ATOM   2455 C C   . GLY C 1 85  ? 27.554  20.862  11.243  1.00 39.63 ? 99  GLY C C   1 
ATOM   2456 O O   . GLY C 1 85  ? 26.870  21.658  11.885  1.00 40.81 ? 99  GLY C O   1 
ATOM   2457 N N   . ALA C 1 86  ? 27.886  21.021  9.957   1.00 39.93 ? 100 ALA C N   1 
ATOM   2458 C CA  . ALA C 1 86  ? 27.522  22.227  9.219   1.00 40.15 ? 100 ALA C CA  1 
ATOM   2459 C C   . ALA C 1 86  ? 26.021  22.478  9.269   1.00 40.03 ? 100 ALA C C   1 
ATOM   2460 O O   . ALA C 1 86  ? 25.574  23.580  9.605   1.00 41.21 ? 100 ALA C O   1 
ATOM   2461 C CB  . ALA C 1 86  ? 28.007  22.119  7.772   1.00 40.30 ? 100 ALA C CB  1 
ATOM   2462 N N   . GLU C 1 87  ? 25.226  21.468  8.927   1.00 38.25 ? 101 GLU C N   1 
ATOM   2463 C CA  . GLU C 1 87  ? 23.779  21.514  9.107   1.00 36.20 ? 101 GLU C CA  1 
ATOM   2464 C C   . GLU C 1 87  ? 23.438  20.458  10.149  1.00 33.63 ? 101 GLU C C   1 
ATOM   2465 O O   . GLU C 1 87  ? 23.372  19.264  9.843   1.00 33.27 ? 101 GLU C O   1 
ATOM   2466 C CB  . GLU C 1 87  ? 23.021  21.280  7.803   1.00 37.06 ? 101 GLU C CB  1 
ATOM   2467 C CG  . GLU C 1 87  ? 21.518  21.498  7.955   0.48 37.06 ? 101 GLU C CG  1 
ATOM   2468 C CD  . GLU C 1 87  ? 20.722  21.129  6.719   0.51 37.18 ? 101 GLU C CD  1 
ATOM   2469 O OE1 . GLU C 1 87  ? 21.330  20.711  5.710   0.51 36.88 ? 101 GLU C OE1 1 
ATOM   2470 O OE2 . GLU C 1 87  ? 19.480  21.259  6.760   0.55 37.31 ? 101 GLU C OE2 1 
ATOM   2471 N N   . ALA C 1 88  ? 23.242  20.906  11.384  1.00 31.19 ? 102 ALA C N   1 
ATOM   2472 C CA  . ALA C 1 88  ? 22.888  19.990  12.455  1.00 27.72 ? 102 ALA C CA  1 
ATOM   2473 C C   . ALA C 1 88  ? 21.540  19.340  12.165  1.00 25.32 ? 102 ALA C C   1 
ATOM   2474 O O   . ALA C 1 88  ? 20.679  19.913  11.495  1.00 25.42 ? 102 ALA C O   1 
ATOM   2475 C CB  . ALA C 1 88  ? 22.837  20.738  13.787  1.00 28.85 ? 102 ALA C CB  1 
ATOM   2476 N N   . ARG C 1 89  ? 21.356  18.130  12.691  1.00 22.40 ? 103 ARG C N   1 
ATOM   2477 C CA  . ARG C 1 89  ? 20.158  17.355  12.415  1.00 20.86 ? 103 ARG C CA  1 
ATOM   2478 C C   . ARG C 1 89  ? 19.870  16.460  13.608  1.00 18.45 ? 103 ARG C C   1 
ATOM   2479 O O   . ARG C 1 89  ? 20.792  15.976  14.270  1.00 19.11 ? 103 ARG C O   1 
ATOM   2480 C CB  . ARG C 1 89  ? 20.363  16.486  11.168  1.00 22.74 ? 103 ARG C CB  1 
ATOM   2481 C CG  . ARG C 1 89  ? 19.101  15.867  10.596  0.79 23.77 ? 103 ARG C CG  1 
ATOM   2482 C CD  . ARG C 1 89  ? 19.355  15.288  9.198   0.74 24.69 ? 103 ARG C CD  1 
ATOM   2483 N NE  . ARG C 1 89  ? 19.503  16.310  8.167   1.00 25.67 ? 103 ARG C NE  1 
ATOM   2484 C CZ  . ARG C 1 89  ? 18.500  16.803  7.455   0.86 25.40 ? 103 ARG C CZ  1 
ATOM   2485 N NH1 . ARG C 1 89  ? 17.249  16.429  7.673   0.71 25.10 ? 103 ARG C NH1 1 
ATOM   2486 N NH2 . ARG C 1 89  ? 18.757  17.692  6.498   0.68 26.20 ? 103 ARG C NH2 1 
ATOM   2487 N N   . ILE C 1 90  ? 18.584  16.238  13.870  1.00 17.41 ? 104 ILE C N   1 
ATOM   2488 C CA  . ILE C 1 90  ? 18.137  15.221  14.822  1.00 16.36 ? 104 ILE C CA  1 
ATOM   2489 C C   . ILE C 1 90  ? 17.282  14.238  14.037  1.00 16.62 ? 104 ILE C C   1 
ATOM   2490 O O   . ILE C 1 90  ? 16.212  14.602  13.531  1.00 16.69 ? 104 ILE C O   1 
ATOM   2491 C CB  . ILE C 1 90  ? 17.360  15.809  16.011  1.00 16.32 ? 104 ILE C CB  1 
ATOM   2492 C CG1 . ILE C 1 90  ? 18.222  16.822  16.765  1.00 17.71 ? 104 ILE C CG1 1 
ATOM   2493 C CG2 . ILE C 1 90  ? 16.901  14.692  16.959  1.00 17.16 ? 104 ILE C CG2 1 
ATOM   2494 C CD1 . ILE C 1 90  ? 17.494  17.528  17.899  1.00 18.86 ? 104 ILE C CD1 1 
ATOM   2495 N N   . ASN C 1 91  ? 17.755  12.999  13.920  1.00 15.90 ? 105 ASN C N   1 
ATOM   2496 C CA  . ASN C 1 91  ? 17.043  11.950  13.199  1.00 15.98 ? 105 ASN C CA  1 
ATOM   2497 C C   . ASN C 1 91  ? 16.330  11.055  14.200  1.00 15.28 ? 105 ASN C C   1 
ATOM   2498 O O   . ASN C 1 91  ? 16.960  10.536  15.131  1.00 15.20 ? 105 ASN C O   1 
ATOM   2499 C CB  . ASN C 1 91  ? 18.023  11.120  12.383  1.00 18.26 ? 105 ASN C CB  1 
ATOM   2500 C CG  . ASN C 1 91  ? 18.705  11.939  11.326  1.00 22.18 ? 105 ASN C CG  1 
ATOM   2501 O OD1 . ASN C 1 91  ? 18.069  12.756  10.652  1.00 23.68 ? 105 ASN C OD1 1 
ATOM   2502 N ND2 . ASN C 1 91  ? 20.010  11.754  11.191  1.00 24.62 ? 105 ASN C ND2 1 
ATOM   2503 N N   . THR C 1 92  ? 15.023  10.870  14.014  1.00 14.77 ? 106 THR C N   1 
ATOM   2504 C CA  . THR C 1 92  ? 14.233  10.136  14.997  1.00 14.05 ? 106 THR C CA  1 
ATOM   2505 C C   . THR C 1 92  ? 13.308  9.122   14.333  1.00 13.35 ? 106 THR C C   1 
ATOM   2506 O O   . THR C 1 92  ? 12.959  9.220   13.149  1.00 13.57 ? 106 THR C O   1 
ATOM   2507 C CB  . THR C 1 92  ? 13.358  11.064  15.863  1.00 14.58 ? 106 THR C CB  1 
ATOM   2508 O OG1 . THR C 1 92  ? 12.275  11.571  15.073  1.00 14.85 ? 106 THR C OG1 1 
ATOM   2509 C CG2 . THR C 1 92  ? 14.164  12.223  16.456  1.00 16.18 ? 106 THR C CG2 1 
ATOM   2510 N N   . GLN C 1 93  ? 12.907  8.144   15.138  1.00 13.32 ? 107 GLN C N   1 
ATOM   2511 C CA  . GLN C 1 93  ? 11.722  7.342   14.889  1.00 13.21 ? 107 GLN C CA  1 
ATOM   2512 C C   . GLN C 1 93  ? 10.788  7.550   16.071  1.00 12.19 ? 107 GLN C C   1 
ATOM   2513 O O   . GLN C 1 93  ? 11.238  7.896   17.167  1.00 12.86 ? 107 GLN C O   1 
ATOM   2514 C CB  . GLN C 1 93  ? 12.085  5.879   14.668  1.00 16.00 ? 107 GLN C CB  1 
ATOM   2515 C CG  . GLN C 1 93  ? 12.988  5.747   13.438  1.00 18.26 ? 107 GLN C CG  1 
ATOM   2516 C CD  . GLN C 1 93  ? 13.305  4.325   13.052  1.00 19.99 ? 107 GLN C CD  1 
ATOM   2517 O OE1 . GLN C 1 93  ? 12.525  3.665   12.366  1.00 23.33 ? 107 GLN C OE1 1 
ATOM   2518 N NE2 . GLN C 1 93  ? 14.474  3.851   13.465  1.00 19.08 ? 107 GLN C NE2 1 
ATOM   2519 N N   . TRP C 1 94  ? 9.484   7.414   15.836  1.00 11.95 ? 108 TRP C N   1 
ATOM   2520 C CA  . TRP C 1 94  ? 8.500   7.754   16.857  1.00 12.20 ? 108 TRP C CA  1 
ATOM   2521 C C   . TRP C 1 94  ? 7.404   6.706   16.946  1.00 11.74 ? 108 TRP C C   1 
ATOM   2522 O O   . TRP C 1 94  ? 7.128   5.976   15.985  1.00 11.55 ? 108 TRP C O   1 
ATOM   2523 C CB  . TRP C 1 94  ? 7.899   9.168   16.677  1.00 12.36 ? 108 TRP C CB  1 
ATOM   2524 C CG  . TRP C 1 94  ? 7.298   9.461   15.308  1.00 12.36 ? 108 TRP C CG  1 
ATOM   2525 C CD1 . TRP C 1 94  ? 7.873   10.185  14.300  1.00 13.65 ? 108 TRP C CD1 1 
ATOM   2526 C CD2 . TRP C 1 94  ? 5.997   9.072   14.826  1.00 12.63 ? 108 TRP C CD2 1 
ATOM   2527 N NE1 . TRP C 1 94  ? 7.026   10.246  13.221  1.00 14.12 ? 108 TRP C NE1 1 
ATOM   2528 C CE2 . TRP C 1 94  ? 5.868   9.575   13.515  1.00 14.38 ? 108 TRP C CE2 1 
ATOM   2529 C CE3 . TRP C 1 94  ? 4.940   8.328   15.370  1.00 12.73 ? 108 TRP C CE3 1 
ATOM   2530 C CZ2 . TRP C 1 94  ? 4.721   9.375   12.750  1.00 14.81 ? 108 TRP C CZ2 1 
ATOM   2531 C CZ3 . TRP C 1 94  ? 3.805   8.134   14.621  1.00 13.03 ? 108 TRP C CZ3 1 
ATOM   2532 C CH2 . TRP C 1 94  ? 3.704   8.647   13.314  1.00 13.61 ? 108 TRP C CH2 1 
ATOM   2533 N N   . LEU C 1 95  ? 6.794   6.645   18.134  1.00 11.81 ? 109 LEU C N   1 
ATOM   2534 C CA  . LEU C 1 95  ? 5.654   5.793   18.445  1.00 11.60 ? 109 LEU C CA  1 
ATOM   2535 C C   . LEU C 1 95  ? 4.571   6.680   19.035  1.00 12.22 ? 109 LEU C C   1 
ATOM   2536 O O   . LEU C 1 95  ? 4.842   7.463   19.952  1.00 14.69 ? 109 LEU C O   1 
ATOM   2537 C CB  . LEU C 1 95  ? 6.026   4.725   19.482  1.00 12.42 ? 109 LEU C CB  1 
ATOM   2538 C CG  . LEU C 1 95  ? 7.076   3.683   19.096  1.00 13.52 ? 109 LEU C CG  1 
ATOM   2539 C CD1 . LEU C 1 95  ? 7.437   2.852   20.330  1.00 14.50 ? 109 LEU C CD1 1 
ATOM   2540 C CD2 . LEU C 1 95  ? 6.584   2.783   17.951  1.00 14.80 ? 109 LEU C CD2 1 
ATOM   2541 N N   . LEU C 1 96  ? 3.347   6.550   18.532  1.00 12.24 ? 110 LEU C N   1 
ATOM   2542 C CA  . LEU C 1 96  ? 2.217   7.375   18.958  1.00 12.75 ? 110 LEU C CA  1 
ATOM   2543 C C   . LEU C 1 96  ? 1.115   6.446   19.459  1.00 12.60 ? 110 LEU C C   1 
ATOM   2544 O O   . LEU C 1 96  ? 0.471   5.757   18.659  1.00 12.74 ? 110 LEU C O   1 
ATOM   2545 C CB  . LEU C 1 96  ? 1.744   8.249   17.793  1.00 14.59 ? 110 LEU C CB  1 
ATOM   2546 C CG  . LEU C 1 96  ? 0.355   8.877   17.784  1.00 15.95 ? 110 LEU C CG  1 
ATOM   2547 C CD1 . LEU C 1 96  ? 0.077   9.662   19.054  1.00 16.80 ? 110 LEU C CD1 1 
ATOM   2548 C CD2 . LEU C 1 96  ? 0.265   9.806   16.583  1.00 17.46 ? 110 LEU C CD2 1 
ATOM   2549 N N   . THR C 1 97  ? 0.914   6.402   20.779  1.00 12.28 ? 111 THR C N   1 
ATOM   2550 C CA  . THR C 1 97  ? -0.065  5.509   21.388  1.00 12.10 ? 111 THR C CA  1 
ATOM   2551 C C   . THR C 1 97  ? -1.278  6.307   21.845  1.00 12.48 ? 111 THR C C   1 
ATOM   2552 O O   . THR C 1 97  ? -1.137  7.306   22.561  1.00 13.78 ? 111 THR C O   1 
ATOM   2553 C CB  . THR C 1 97  ? 0.522   4.756   22.589  1.00 13.40 ? 111 THR C CB  1 
ATOM   2554 O OG1 . THR C 1 97  ? 1.680   4.018   22.189  1.00 13.57 ? 111 THR C OG1 1 
ATOM   2555 C CG2 . THR C 1 97  ? -0.507  3.793   23.177  1.00 14.13 ? 111 THR C CG2 1 
ATOM   2556 N N   . SER C 1 98  ? -2.462  5.863   21.439  1.00 14.06 ? 112 SER C N   1 
ATOM   2557 C CA  . SER C 1 98  ? -3.725  6.404   21.922  1.00 14.31 ? 112 SER C CA  1 
ATOM   2558 C C   . SER C 1 98  ? -4.291  5.510   23.024  1.00 14.57 ? 112 SER C C   1 
ATOM   2559 O O   . SER C 1 98  ? -4.136  4.288   22.993  1.00 16.20 ? 112 SER C O   1 
ATOM   2560 C CB  . SER C 1 98  ? -4.739  6.461   20.778  1.00 15.66 ? 112 SER C CB  1 
ATOM   2561 O OG  . SER C 1 98  ? -4.282  7.296   19.733  1.00 18.10 ? 112 SER C OG  1 
ATOM   2562 N N   . GLY C 1 99  ? -4.954  6.128   24.000  1.00 15.76 ? 113 GLY C N   1 
ATOM   2563 C CA  . GLY C 1 99  ? -5.719  5.353   24.967  1.00 16.85 ? 113 GLY C CA  1 
ATOM   2564 C C   . GLY C 1 99  ? -6.878  4.650   24.279  1.00 17.62 ? 113 GLY C C   1 
ATOM   2565 O O   . GLY C 1 99  ? -7.629  5.269   23.514  1.00 21.12 ? 113 GLY C O   1 
ATOM   2566 N N   . THR C 1 100 ? -7.011  3.344   24.516  1.00 16.85 ? 114 THR C N   1 
ATOM   2567 C CA  . THR C 1 100 ? -8.046  2.542   23.870  1.00 17.70 ? 114 THR C CA  1 
ATOM   2568 C C   . THR C 1 100 ? -8.633  1.562   24.875  1.00 18.35 ? 114 THR C C   1 
ATOM   2569 O O   . THR C 1 100 ? -8.079  1.335   25.952  1.00 17.38 ? 114 THR C O   1 
ATOM   2570 C CB  . THR C 1 100 ? -7.503  1.717   22.687  1.00 17.85 ? 114 THR C CB  1 
ATOM   2571 O OG1 . THR C 1 100 ? -6.646  0.670   23.175  1.00 17.11 ? 114 THR C OG1 1 
ATOM   2572 C CG2 . THR C 1 100 ? -6.735  2.587   21.695  1.00 18.82 ? 114 THR C CG2 1 
ATOM   2573 N N   . THR C 1 101 ? -9.765  0.968   24.501  1.00 19.53 ? 115 THR C N   1 
ATOM   2574 C CA  . THR C 1 101 ? -10.239 -0.221  25.184  1.00 20.75 ? 115 THR C CA  1 
ATOM   2575 C C   . THR C 1 101 ? -9.303  -1.390  24.884  1.00 19.72 ? 115 THR C C   1 
ATOM   2576 O O   . THR C 1 101 ? -8.479  -1.349  23.961  1.00 18.92 ? 115 THR C O   1 
ATOM   2577 C CB  . THR C 1 101 ? -11.644 -0.582  24.708  1.00 23.38 ? 115 THR C CB  1 
ATOM   2578 O OG1 . THR C 1 101 ? -11.591 -0.978  23.331  1.00 24.23 ? 115 THR C OG1 1 
ATOM   2579 C CG2 . THR C 1 101 ? -12.586 0.604   24.863  1.00 25.57 ? 115 THR C CG2 1 
ATOM   2580 N N   . GLU C 1 102 ? -9.444  -2.452  25.680  1.00 21.50 ? 116 GLU C N   1 
ATOM   2581 C CA  . GLU C 1 102 ? -8.616  -3.632  25.470  1.00 23.37 ? 116 GLU C CA  1 
ATOM   2582 C C   . GLU C 1 102 ? -8.872  -4.240  24.098  1.00 22.03 ? 116 GLU C C   1 
ATOM   2583 O O   . GLU C 1 102 ? -7.937  -4.686  23.426  1.00 21.61 ? 116 GLU C O   1 
ATOM   2584 C CB  . GLU C 1 102 ? -8.872  -4.665  26.568  1.00 27.09 ? 116 GLU C CB  1 
ATOM   2585 C CG  . GLU C 1 102 ? -7.789  -5.724  26.647  1.00 31.15 ? 116 GLU C CG  1 
ATOM   2586 C CD  . GLU C 1 102 ? -6.445  -5.136  27.037  1.00 35.50 ? 116 GLU C CD  1 
ATOM   2587 O OE1 . GLU C 1 102 ? -6.394  -4.374  28.029  1.00 37.05 ? 116 GLU C OE1 1 
ATOM   2588 O OE2 . GLU C 1 102 ? -5.444  -5.424  26.345  1.00 37.81 ? 116 GLU C OE2 1 
ATOM   2589 N N   . ALA C 1 103 ? -10.133 -4.252  23.659  1.00 22.16 ? 117 ALA C N   1 
ATOM   2590 C CA  . ALA C 1 103 ? -10.461 -4.860  22.373  1.00 23.09 ? 117 ALA C CA  1 
ATOM   2591 C C   . ALA C 1 103 ? -9.797  -4.127  21.215  1.00 21.87 ? 117 ALA C C   1 
ATOM   2592 O O   . ALA C 1 103 ? -9.524  -4.729  20.170  1.00 21.98 ? 117 ALA C O   1 
ATOM   2593 C CB  . ALA C 1 103 ? -11.977 -4.891  22.182  1.00 24.57 ? 117 ALA C CB  1 
ATOM   2594 N N   . ASN C 1 104 ? -9.521  -2.838  21.379  1.00 19.95 ? 118 ASN C N   1 
ATOM   2595 C CA  . ASN C 1 104 ? -8.923  -2.031  20.325  1.00 20.02 ? 118 ASN C CA  1 
ATOM   2596 C C   . ASN C 1 104 ? -7.436  -1.783  20.535  1.00 18.09 ? 118 ASN C C   1 
ATOM   2597 O O   . ASN C 1 104 ? -6.827  -1.044  19.756  1.00 17.91 ? 118 ASN C O   1 
ATOM   2598 C CB  . ASN C 1 104 ? -9.667  -0.706  20.195  1.00 21.77 ? 118 ASN C CB  1 
ATOM   2599 C CG  . ASN C 1 104 ? -11.074 -0.884  19.670  1.00 23.20 ? 118 ASN C CG  1 
ATOM   2600 O OD1 . ASN C 1 104 ? -11.325 -1.715  18.790  1.00 24.11 ? 118 ASN C OD1 1 
ATOM   2601 N ND2 . ASN C 1 104 ? -12.004 -0.107  20.208  1.00 25.10 ? 118 ASN C ND2 1 
ATOM   2602 N N   . ALA C 1 105 ? -6.834  -2.390  21.557  1.00 16.97 ? 119 ALA C N   1 
ATOM   2603 C CA  . ALA C 1 105 ? -5.444  -2.094  21.871  1.00 16.45 ? 119 ALA C CA  1 
ATOM   2604 C C   . ALA C 1 105 ? -4.500  -2.523  20.755  1.00 15.87 ? 119 ALA C C   1 
ATOM   2605 O O   . ALA C 1 105 ? -3.432  -1.919  20.585  1.00 17.09 ? 119 ALA C O   1 
ATOM   2606 C CB  . ALA C 1 105 ? -5.049  -2.754  23.191  1.00 16.74 ? 119 ALA C CB  1 
ATOM   2607 N N   . TRP C 1 106 ? -4.871  -3.544  19.971  1.00 15.72 ? 120 TRP C N   1 
ATOM   2608 C CA  . TRP C 1 106 ? -3.981  -4.003  18.904  1.00 15.92 ? 120 TRP C CA  1 
ATOM   2609 C C   . TRP C 1 106 ? -3.688  -2.903  17.890  1.00 15.58 ? 120 TRP C C   1 
ATOM   2610 O O   . TRP C 1 106 ? -2.643  -2.933  17.231  1.00 15.51 ? 120 TRP C O   1 
ATOM   2611 C CB  . TRP C 1 106 ? -4.573  -5.229  18.207  1.00 17.10 ? 120 TRP C CB  1 
ATOM   2612 C CG  . TRP C 1 106 ? -5.780  -4.913  17.388  1.00 16.80 ? 120 TRP C CG  1 
ATOM   2613 C CD1 . TRP C 1 106 ? -7.074  -4.853  17.824  1.00 18.27 ? 120 TRP C CD1 1 
ATOM   2614 C CD2 . TRP C 1 106 ? -5.811  -4.594  15.989  1.00 16.79 ? 120 TRP C CD2 1 
ATOM   2615 N NE1 . TRP C 1 106 ? -7.909  -4.519  16.782  1.00 18.07 ? 120 TRP C NE1 1 
ATOM   2616 C CE2 . TRP C 1 106 ? -7.158  -4.354  15.646  1.00 17.45 ? 120 TRP C CE2 1 
ATOM   2617 C CE3 . TRP C 1 106 ? -4.830  -4.487  14.995  1.00 17.53 ? 120 TRP C CE3 1 
ATOM   2618 C CZ2 . TRP C 1 106 ? -7.550  -4.024  14.347  1.00 18.34 ? 120 TRP C CZ2 1 
ATOM   2619 C CZ3 . TRP C 1 106 ? -5.222  -4.151  13.710  1.00 18.77 ? 120 TRP C CZ3 1 
ATOM   2620 C CH2 . TRP C 1 106 ? -6.569  -3.919  13.398  1.00 19.36 ? 120 TRP C CH2 1 
ATOM   2621 N N   . LYS C 1 107 ? -4.590  -1.932  17.747  1.00 15.21 ? 121 LYS C N   1 
ATOM   2622 C CA  . LYS C 1 107 ? -4.430  -0.847  16.788  1.00 15.38 ? 121 LYS C CA  1 
ATOM   2623 C C   . LYS C 1 107 ? -4.188  0.500   17.473  1.00 14.96 ? 121 LYS C C   1 
ATOM   2624 O O   . LYS C 1 107 ? -4.517  1.551   16.920  1.00 15.40 ? 121 LYS C O   1 
ATOM   2625 C CB  . LYS C 1 107 ? -5.628  -0.795  15.842  1.00 17.14 ? 121 LYS C CB  1 
ATOM   2626 C CG  . LYS C 1 107 ? -6.989  -0.682  16.512  1.00 18.27 ? 121 LYS C CG  1 
ATOM   2627 C CD  . LYS C 1 107 ? -8.084  -0.507  15.467  1.00 19.61 ? 121 LYS C CD  1 
ATOM   2628 C CE  . LYS C 1 107 ? -9.456  -0.313  16.104  1.00 22.93 ? 121 LYS C CE  1 
ATOM   2629 N NZ  . LYS C 1 107 ? -10.495 -0.075  15.062  1.00 25.40 ? 121 LYS C NZ  1 
ATOM   2630 N N   . SER C 1 108 ? -3.592  0.486   18.665  1.00 14.30 ? 122 SER C N   1 
ATOM   2631 C CA  . SER C 1 108 ? -3.413  1.692   19.457  1.00 14.15 ? 122 SER C CA  1 
ATOM   2632 C C   . SER C 1 108 ? -2.177  2.501   19.095  1.00 13.13 ? 122 SER C C   1 
ATOM   2633 O O   . SER C 1 108 ? -2.077  3.648   19.536  1.00 13.14 ? 122 SER C O   1 
ATOM   2634 C CB  . SER C 1 108 ? -3.314  1.332   20.945  1.00 16.20 ? 122 SER C CB  1 
ATOM   2635 O OG  . SER C 1 108 ? -2.150  0.560   21.191  1.00 17.26 ? 122 SER C OG  1 
ATOM   2636 N N   . THR C 1 109 ? -1.234  1.959   18.321  1.00 12.56 ? 123 THR C N   1 
ATOM   2637 C CA  . THR C 1 109 ? 0.090   2.567   18.207  1.00 12.64 ? 123 THR C CA  1 
ATOM   2638 C C   . THR C 1 109 ? 0.484   2.760   16.749  1.00 11.31 ? 123 THR C C   1 
ATOM   2639 O O   . THR C 1 109 ? 0.595   1.781   16.000  1.00 12.62 ? 123 THR C O   1 
ATOM   2640 C CB  . THR C 1 109 ? 1.144   1.713   18.916  1.00 13.70 ? 123 THR C CB  1 
ATOM   2641 O OG1 . THR C 1 109 ? 0.708   1.417   20.249  1.00 14.71 ? 123 THR C OG1 1 
ATOM   2642 C CG2 . THR C 1 109 ? 2.466   2.458   18.990  1.00 13.47 ? 123 THR C CG2 1 
ATOM   2643 N N   . LEU C 1 110 ? 0.726   4.013   16.370  1.00 11.30 ? 124 LEU C N   1 
ATOM   2644 C CA  . LEU C 1 110 ? 1.285   4.378   15.073  1.00 12.14 ? 124 LEU C CA  1 
ATOM   2645 C C   . LEU C 1 110 ? 2.801   4.539   15.175  1.00 12.26 ? 124 LEU C C   1 
ATOM   2646 O O   . LEU C 1 110 ? 3.341   4.869   16.235  1.00 12.00 ? 124 LEU C O   1 
ATOM   2647 C CB  . LEU C 1 110 ? 0.672   5.694   14.582  1.00 13.70 ? 124 LEU C CB  1 
ATOM   2648 C CG  . LEU C 1 110 ? -0.817  5.675   14.227  1.00 14.31 ? 124 LEU C CG  1 
ATOM   2649 C CD1 . LEU C 1 110 ? -1.420  7.081   14.222  1.00 16.03 ? 124 LEU C CD1 1 
ATOM   2650 C CD2 . LEU C 1 110 ? -1.023  4.972   12.871  1.00 14.46 ? 124 LEU C CD2 1 
ATOM   2651 N N   . VAL C 1 111 ? 3.490   4.318   14.047  1.00 13.00 ? 125 VAL C N   1 
ATOM   2652 C CA  . VAL C 1 111 ? 4.945   4.413   13.989  1.00 12.90 ? 125 VAL C CA  1 
ATOM   2653 C C   . VAL C 1 111 ? 5.352   5.237   12.769  1.00 12.33 ? 125 VAL C C   1 
ATOM   2654 O O   . VAL C 1 111 ? 4.714   5.156   11.709  1.00 13.01 ? 125 VAL C O   1 
ATOM   2655 C CB  . VAL C 1 111 ? 5.595   3.007   13.967  1.00 13.53 ? 125 VAL C CB  1 
ATOM   2656 C CG1 . VAL C 1 111 ? 5.147   2.223   12.740  1.00 14.40 ? 125 VAL C CG1 1 
ATOM   2657 C CG2 . VAL C 1 111 ? 7.110   3.092   14.040  1.00 14.23 ? 125 VAL C CG2 1 
ATOM   2658 N N   . GLY C 1 112 ? 6.426   6.006   12.912  1.00 12.50 ? 126 GLY C N   1 
ATOM   2659 C CA  . GLY C 1 112 ? 6.945   6.783   11.799  1.00 13.45 ? 126 GLY C CA  1 
ATOM   2660 C C   . GLY C 1 112 ? 8.336   7.310   12.094  1.00 12.91 ? 126 GLY C C   1 
ATOM   2661 O O   . GLY C 1 112 ? 8.988   6.895   13.054  1.00 12.90 ? 126 GLY C O   1 
ATOM   2662 N N   . HIS C 1 113 ? 8.800   8.224   11.237  1.00 14.36 ? 127 HIS C N   1 
ATOM   2663 C CA  . HIS C 1 113 ? 10.131  8.804   11.388  1.00 15.33 ? 127 HIS C CA  1 
ATOM   2664 C C   . HIS C 1 113 ? 10.081  10.292  11.085  1.00 15.26 ? 127 HIS C C   1 
ATOM   2665 O O   . HIS C 1 113 ? 9.463   10.700  10.100  1.00 16.38 ? 127 HIS C O   1 
ATOM   2666 C CB  . HIS C 1 113 ? 11.165  8.094   10.499  1.00 16.62 ? 127 HIS C CB  1 
ATOM   2667 C CG  . HIS C 1 113 ? 10.712  7.885   9.087   1.00 17.99 ? 127 HIS C CG  1 
ATOM   2668 N ND1 . HIS C 1 113 ? 11.100  8.703   8.045   1.00 20.13 ? 127 HIS C ND1 1 
ATOM   2669 C CD2 . HIS C 1 113 ? 9.909   6.939   8.541   1.00 18.25 ? 127 HIS C CD2 1 
ATOM   2670 C CE1 . HIS C 1 113 ? 10.550  8.276   6.922   1.00 20.43 ? 127 HIS C CE1 1 
ATOM   2671 N NE2 . HIS C 1 113 ? 9.825   7.205   7.194   1.00 20.83 ? 127 HIS C NE2 1 
ATOM   2672 N N   . ASP C 1 114 ? 10.715  11.098  11.942  1.00 14.36 ? 128 ASP C N   1 
ATOM   2673 C CA  . ASP C 1 114 ? 10.817  12.541  11.756  1.00 15.15 ? 128 ASP C CA  1 
ATOM   2674 C C   . ASP C 1 114 ? 12.284  12.939  11.739  1.00 15.36 ? 128 ASP C C   1 
ATOM   2675 O O   . ASP C 1 114 ? 13.071  12.472  12.570  1.00 15.65 ? 128 ASP C O   1 
ATOM   2676 C CB  . ASP C 1 114 ? 10.196  13.312  12.930  1.00 15.14 ? 128 ASP C CB  1 
ATOM   2677 C CG  . ASP C 1 114 ? 8.686   13.345  12.902  1.00 15.12 ? 128 ASP C CG  1 
ATOM   2678 O OD1 . ASP C 1 114 ? 8.073   12.801  11.954  1.00 16.77 ? 128 ASP C OD1 1 
ATOM   2679 O OD2 . ASP C 1 114 ? 8.112   13.927  13.856  1.00 15.43 ? 128 ASP C OD2 1 
ATOM   2680 N N   . THR C 1 115 ? 12.648  13.834  10.825  1.00 15.95 ? 129 THR C N   1 
ATOM   2681 C CA  . THR C 1 115 ? 13.972  14.437  10.838  1.00 17.60 ? 129 THR C CA  1 
ATOM   2682 C C   . THR C 1 115 ? 13.839  15.933  11.103  1.00 16.96 ? 129 THR C C   1 
ATOM   2683 O O   . THR C 1 115 ? 12.995  16.605  10.498  1.00 17.89 ? 129 THR C O   1 
ATOM   2684 C CB  . THR C 1 115 ? 14.727  14.141  9.533   1.00 20.58 ? 129 THR C CB  1 
ATOM   2685 O OG1 . THR C 1 115 ? 16.061  14.655  9.627   1.00 22.30 ? 129 THR C OG1 1 
ATOM   2686 C CG2 . THR C 1 115 ? 14.016  14.744  8.332   1.00 22.19 ? 129 THR C CG2 1 
ATOM   2687 N N   . PHE C 1 116 ? 14.650  16.440  12.029  1.00 16.24 ? 130 PHE C N   1 
ATOM   2688 C CA  . PHE C 1 116 ? 14.583  17.823  12.482  1.00 16.70 ? 130 PHE C CA  1 
ATOM   2689 C C   . PHE C 1 116 ? 15.837  18.569  12.048  1.00 17.91 ? 130 PHE C C   1 
ATOM   2690 O O   . PHE C 1 116 ? 16.948  18.043  12.154  1.00 18.39 ? 130 PHE C O   1 
ATOM   2691 C CB  . PHE C 1 116 ? 14.479  17.886  14.017  1.00 16.86 ? 130 PHE C CB  1 
ATOM   2692 C CG  . PHE C 1 116 ? 13.199  17.310  14.569  1.00 15.63 ? 130 PHE C CG  1 
ATOM   2693 C CD1 . PHE C 1 116 ? 13.080  15.950  14.829  1.00 15.61 ? 130 PHE C CD1 1 
ATOM   2694 C CD2 . PHE C 1 116 ? 12.118  18.139  14.848  1.00 16.86 ? 130 PHE C CD2 1 
ATOM   2695 C CE1 . PHE C 1 116 ? 11.900  15.426  15.336  1.00 15.41 ? 130 PHE C CE1 1 
ATOM   2696 C CE2 . PHE C 1 116 ? 10.937  17.626  15.348  1.00 17.41 ? 130 PHE C CE2 1 
ATOM   2697 C CZ  . PHE C 1 116 ? 10.826  16.262  15.593  1.00 16.69 ? 130 PHE C CZ  1 
ATOM   2698 N N   . THR C 1 117 ? 15.651  19.796  11.549  1.00 18.51 ? 131 THR C N   1 
ATOM   2699 C CA  . THR C 1 117 ? 16.739  20.722  11.255  1.00 20.53 ? 131 THR C CA  1 
ATOM   2700 C C   . THR C 1 117 ? 16.397  22.083  11.853  1.00 20.98 ? 131 THR C C   1 
ATOM   2701 O O   . THR C 1 117 ? 15.267  22.336  12.277  1.00 20.01 ? 131 THR C O   1 
ATOM   2702 C CB  . THR C 1 117 ? 16.961  20.880  9.742   1.00 22.92 ? 131 THR C CB  1 
ATOM   2703 O OG1 . THR C 1 117 ? 15.847  21.577  9.177   1.00 25.44 ? 131 THR C OG1 1 
ATOM   2704 C CG2 . THR C 1 117 ? 17.109  19.528  9.063   1.00 23.14 ? 131 THR C CG2 1 
ATOM   2705 N N   . LYS C 1 118 ? 17.376  22.985  11.863  1.00 22.89 ? 132 LYS C N   1 
ATOM   2706 C CA  . LYS C 1 118 ? 17.151  24.317  12.409  1.00 24.85 ? 132 LYS C CA  1 
ATOM   2707 C C   . LYS C 1 118 ? 16.537  25.278  11.397  1.00 24.46 ? 132 LYS C C   1 
ATOM   2708 O O   . LYS C 1 118 ? 16.390  26.465  11.697  1.00 25.15 ? 132 LYS C O   1 
ATOM   2709 C CB  . LYS C 1 118 ? 18.434  24.877  13.034  1.00 28.51 ? 132 LYS C CB  1 
ATOM   2710 C CG  . LYS C 1 118 ? 18.907  24.045  14.221  1.00 30.54 ? 132 LYS C CG  1 
ATOM   2711 C CD  . LYS C 1 118 ? 19.676  24.844  15.262  1.00 32.18 ? 132 LYS C CD  1 
ATOM   2712 C CE  . LYS C 1 118 ? 19.965  23.965  16.469  1.00 33.05 ? 132 LYS C CE  1 
ATOM   2713 N NZ  . LYS C 1 118 ? 20.843  24.596  17.489  1.00 33.87 ? 132 LYS C NZ  1 
ATOM   2714 N N   . VAL C 1 119 ? 16.148  24.784  10.224  1.00 25.07 ? 133 VAL C N   1 
ATOM   2715 C CA  . VAL C 1 119 ? 15.535  25.595  9.180   1.00 26.94 ? 133 VAL C CA  1 
ATOM   2716 C C   . VAL C 1 119 ? 14.171  25.005  8.845   1.00 28.33 ? 133 VAL C C   1 
ATOM   2717 O O   . VAL C 1 119 ? 14.002  23.780  8.831   1.00 29.20 ? 133 VAL C O   1 
ATOM   2718 C CB  . VAL C 1 119 ? 16.446  25.658  7.935   1.00 28.79 ? 133 VAL C CB  1 
ATOM   2719 C CG1 . VAL C 1 119 ? 15.680  26.129  6.713   1.00 30.58 ? 133 VAL C CG1 1 
ATOM   2720 C CG2 . VAL C 1 119 ? 17.629  26.574  8.206   1.00 29.09 ? 133 VAL C CG2 1 
ATOM   2721 N N   . LYS C 1 120 ? 13.196  25.875  8.601   1.00 30.50 ? 134 LYS C N   1 
ATOM   2722 C CA  . LYS C 1 120 ? 11.871  25.416  8.210   1.00 32.36 ? 134 LYS C CA  1 
ATOM   2723 C C   . LYS C 1 120 ? 11.934  24.741  6.840   1.00 33.17 ? 134 LYS C C   1 
ATOM   2724 O O   . LYS C 1 120 ? 12.681  25.185  5.960   1.00 33.86 ? 134 LYS C O   1 
ATOM   2725 C CB  . LYS C 1 120 ? 10.901  26.597  8.162   1.00 33.51 ? 134 LYS C CB  1 
ATOM   2726 C CG  . LYS C 1 120 ? 10.677  27.269  9.511   1.00 34.88 ? 134 LYS C CG  1 
ATOM   2727 C CD  . LYS C 1 120 ? 9.755   28.477  9.390   1.00 35.97 ? 134 LYS C CD  1 
ATOM   2728 C CE  . LYS C 1 120 ? 9.618   29.201  10.724  1.00 36.78 ? 134 LYS C CE  1 
ATOM   2729 N NZ  . LYS C 1 120 ? 8.660   30.343  10.664  1.00 37.31 ? 134 LYS C NZ  1 
ATOM   2730 N N   . PRO C 1 121 ? 11.158  23.667  6.623   1.00 33.12 ? 135 PRO C N   1 
ATOM   2731 C CA  . PRO C 1 121 ? 11.190  22.910  5.364   1.00 34.50 ? 135 PRO C CA  1 
ATOM   2732 C C   . PRO C 1 121 ? 10.638  23.688  4.170   1.00 36.33 ? 135 PRO C C   1 
ATOM   2733 O O   . PRO C 1 121 ? 9.810   24.588  4.318   1.00 37.45 ? 135 PRO C O   1 
ATOM   2734 C CB  . PRO C 1 121 ? 10.299  21.699  5.662   1.00 34.15 ? 135 PRO C CB  1 
ATOM   2735 C CG  . PRO C 1 121 ? 9.393   22.150  6.758   1.00 33.55 ? 135 PRO C CG  1 
ATOM   2736 C CD  . PRO C 1 121 ? 10.205  23.096  7.592   1.00 33.17 ? 135 PRO C CD  1 
ATOM   2737 O OXT . PRO C 1 121 ? 11.012  23.426  3.023   1.00 37.31 ? 135 PRO C OXT 1 
ATOM   2738 N N   . GLY D 1 2   ? 2.447   -0.207  -12.127 1.00 26.39 ? 16  GLY D N   1 
ATOM   2739 C CA  . GLY D 1 2   ? 3.660   0.589   -12.105 1.00 25.25 ? 16  GLY D CA  1 
ATOM   2740 C C   . GLY D 1 2   ? 4.717   0.063   -11.150 1.00 22.44 ? 16  GLY D C   1 
ATOM   2741 O O   . GLY D 1 2   ? 5.766   0.676   -10.982 1.00 22.98 ? 16  GLY D O   1 
ATOM   2742 N N   . ILE D 1 3   ? 4.445   -1.081  -10.526 1.00 20.68 ? 17  ILE D N   1 
ATOM   2743 C CA  . ILE D 1 3   ? 5.363   -1.638  -9.534  1.00 18.83 ? 17  ILE D CA  1 
ATOM   2744 C C   . ILE D 1 3   ? 6.453   -2.489  -10.181 1.00 17.58 ? 17  ILE D C   1 
ATOM   2745 O O   . ILE D 1 3   ? 7.609   -2.450  -9.759  1.00 17.46 ? 17  ILE D O   1 
ATOM   2746 C CB  . ILE D 1 3   ? 4.575   -2.419  -8.465  1.00 18.40 ? 17  ILE D CB  1 
ATOM   2747 C CG1 . ILE D 1 3   ? 3.743   -1.465  -7.607  1.00 19.21 ? 17  ILE D CG1 1 
ATOM   2748 C CG2 . ILE D 1 3   ? 5.519   -3.221  -7.588  1.00 18.08 ? 17  ILE D CG2 1 
ATOM   2749 C CD1 . ILE D 1 3   ? 2.727   -2.170  -6.736  1.00 19.41 ? 17  ILE D CD1 1 
ATOM   2750 N N   . THR D 1 4   ? 6.113   -3.260  -11.212 1.00 17.51 ? 18  THR D N   1 
ATOM   2751 C CA  . THR D 1 4   ? 7.084   -4.149  -11.834 1.00 18.17 ? 18  THR D CA  1 
ATOM   2752 C C   . THR D 1 4   ? 8.266   -3.357  -12.377 1.00 18.52 ? 18  THR D C   1 
ATOM   2753 O O   . THR D 1 4   ? 8.091   -2.352  -13.072 1.00 18.90 ? 18  THR D O   1 
ATOM   2754 C CB  . THR D 1 4   ? 6.409   -4.897  -12.983 1.00 19.37 ? 18  THR D CB  1 
ATOM   2755 O OG1 . THR D 1 4   ? 5.433   -5.799  -12.452 1.00 19.47 ? 18  THR D OG1 1 
ATOM   2756 C CG2 . THR D 1 4   ? 7.430   -5.673  -13.803 1.00 19.78 ? 18  THR D CG2 1 
ATOM   2757 N N   . GLY D 1 5   ? 9.469   -3.814  -12.066 1.00 17.26 ? 19  GLY D N   1 
ATOM   2758 C CA  . GLY D 1 5   ? 10.680  -3.205  -12.560 1.00 16.78 ? 19  GLY D CA  1 
ATOM   2759 C C   . GLY D 1 5   ? 11.740  -3.173  -11.478 1.00 16.17 ? 19  GLY D C   1 
ATOM   2760 O O   . GLY D 1 5   ? 11.626  -3.838  -10.447 1.00 16.06 ? 19  GLY D O   1 
ATOM   2761 N N   . THR D 1 6   ? 12.769  -2.374  -11.717 1.00 16.99 ? 20  THR D N   1 
ATOM   2762 C CA  . THR D 1 6   ? 13.914  -2.251  -10.828 1.00 16.51 ? 20  THR D CA  1 
ATOM   2763 C C   . THR D 1 6   ? 13.785  -0.985  -9.997  1.00 16.02 ? 20  THR D C   1 
ATOM   2764 O O   . THR D 1 6   ? 13.442  0.079   -10.520 1.00 17.22 ? 20  THR D O   1 
ATOM   2765 C CB  . THR D 1 6   ? 15.200  -2.196  -11.654 1.00 18.15 ? 20  THR D CB  1 
ATOM   2766 O OG1 . THR D 1 6   ? 15.308  -3.399  -12.418 1.00 20.76 ? 20  THR D OG1 1 
ATOM   2767 C CG2 . THR D 1 6   ? 16.425  -2.070  -10.771 1.00 18.15 ? 20  THR D CG2 1 
ATOM   2768 N N   . TRP D 1 7   ? 14.053  -1.109  -8.697  1.00 14.93 ? 21  TRP D N   1 
ATOM   2769 C CA  . TRP D 1 7   ? 13.954  -0.002  -7.760  1.00 14.46 ? 21  TRP D CA  1 
ATOM   2770 C C   . TRP D 1 7   ? 15.266  0.120   -6.991  1.00 15.07 ? 21  TRP D C   1 
ATOM   2771 O O   . TRP D 1 7   ? 15.992  -0.864  -6.817  1.00 15.72 ? 21  TRP D O   1 
ATOM   2772 C CB  . TRP D 1 7   ? 12.794  -0.254  -6.778  1.00 15.29 ? 21  TRP D CB  1 
ATOM   2773 C CG  . TRP D 1 7   ? 11.437  -0.206  -7.426  1.00 15.55 ? 21  TRP D CG  1 
ATOM   2774 C CD1 . TRP D 1 7   ? 10.794  -1.230  -8.070  1.00 16.40 ? 21  TRP D CD1 1 
ATOM   2775 C CD2 . TRP D 1 7   ? 10.564  0.931   -7.514  1.00 15.81 ? 21  TRP D CD2 1 
ATOM   2776 N NE1 . TRP D 1 7   ? 9.573   -0.801  -8.543  1.00 16.92 ? 21  TRP D NE1 1 
ATOM   2777 C CE2 . TRP D 1 7   ? 9.408   0.519   -8.208  1.00 16.36 ? 21  TRP D CE2 1 
ATOM   2778 C CE3 . TRP D 1 7   ? 10.644  2.253   -7.060  1.00 16.40 ? 21  TRP D CE3 1 
ATOM   2779 C CZ2 . TRP D 1 7   ? 8.342   1.384   -8.463  1.00 17.17 ? 21  TRP D CZ2 1 
ATOM   2780 C CZ3 . TRP D 1 7   ? 9.585   3.109   -7.309  1.00 16.43 ? 21  TRP D CZ3 1 
ATOM   2781 C CH2 . TRP D 1 7   ? 8.449   2.673   -8.007  1.00 16.34 ? 21  TRP D CH2 1 
ATOM   2782 N N   . TYR D 1 8   ? 15.555  1.336   -6.517  1.00 15.04 ? 22  TYR D N   1 
ATOM   2783 C CA  . TYR D 1 8   ? 16.806  1.649   -5.832  1.00 15.16 ? 22  TYR D CA  1 
ATOM   2784 C C   . TYR D 1 8   ? 16.497  2.401   -4.543  1.00 16.32 ? 22  TYR D C   1 
ATOM   2785 O O   . TYR D 1 8   ? 15.719  3.359   -4.554  1.00 16.44 ? 22  TYR D O   1 
ATOM   2786 C CB  . TYR D 1 8   ? 17.703  2.527   -6.725  1.00 15.18 ? 22  TYR D CB  1 
ATOM   2787 C CG  . TYR D 1 8   ? 17.991  1.928   -8.090  1.00 15.74 ? 22  TYR D CG  1 
ATOM   2788 C CD1 . TYR D 1 8   ? 19.082  1.087   -8.287  1.00 17.87 ? 22  TYR D CD1 1 
ATOM   2789 C CD2 . TYR D 1 8   ? 17.163  2.191   -9.174  1.00 16.29 ? 22  TYR D CD2 1 
ATOM   2790 C CE1 . TYR D 1 8   ? 19.351  0.533   -9.530  1.00 18.04 ? 22  TYR D CE1 1 
ATOM   2791 C CE2 . TYR D 1 8   ? 17.420  1.638   -10.421 1.00 17.36 ? 22  TYR D CE2 1 
ATOM   2792 C CZ  . TYR D 1 8   ? 18.516  0.810   -10.592 1.00 17.68 ? 22  TYR D CZ  1 
ATOM   2793 O OH  . TYR D 1 8   ? 18.781  0.258   -11.827 1.00 18.56 ? 22  TYR D OH  1 
ATOM   2794 N N   . ASN D 1 9   ? 17.106  1.980   -3.436  1.00 17.36 ? 23  ASN D N   1 
ATOM   2795 C CA  . ASN D 1 9   ? 16.888  2.702   -2.191  1.00 19.06 ? 23  ASN D CA  1 
ATOM   2796 C C   . ASN D 1 9   ? 17.948  3.784   -2.004  1.00 21.40 ? 23  ASN D C   1 
ATOM   2797 O O   . ASN D 1 9   ? 18.793  4.026   -2.869  1.00 22.57 ? 23  ASN D O   1 
ATOM   2798 C CB  . ASN D 1 9   ? 16.727  1.765   -0.983  1.00 19.72 ? 23  ASN D CB  1 
ATOM   2799 C CG  . ASN D 1 9   ? 18.050  1.261   -0.419  1.00 20.75 ? 23  ASN D CG  1 
ATOM   2800 O OD1 . ASN D 1 9   ? 19.122  1.498   -0.970  1.00 21.76 ? 23  ASN D OD1 1 
ATOM   2801 N ND2 . ASN D 1 9   ? 17.967  0.535   0.694   1.00 23.18 ? 23  ASN D ND2 1 
ATOM   2802 N N   . GLN D 1 10  ? 17.907  4.425   -0.836  1.00 22.57 ? 24  GLN D N   1 
ATOM   2803 C CA  . GLN D 1 10  ? 18.762  5.568   -0.550  1.00 25.28 ? 24  GLN D CA  1 
ATOM   2804 C C   . GLN D 1 10  ? 20.209  5.172   -0.265  1.00 29.65 ? 24  GLN D C   1 
ATOM   2805 O O   . GLN D 1 10  ? 21.093  6.036   -0.326  1.00 32.16 ? 24  GLN D O   1 
ATOM   2806 C CB  . GLN D 1 10  ? 18.167  6.380   0.611   1.00 24.75 ? 24  GLN D CB  1 
ATOM   2807 C CG  . GLN D 1 10  ? 18.275  5.739   2.016   1.00 24.64 ? 24  GLN D CG  1 
ATOM   2808 C CD  . GLN D 1 10  ? 17.272  4.606   2.291   1.00 23.29 ? 24  GLN D CD  1 
ATOM   2809 O OE1 . GLN D 1 10  ? 16.367  4.330   1.496   1.00 21.94 ? 24  GLN D OE1 1 
ATOM   2810 N NE2 . GLN D 1 10  ? 17.431  3.954   3.443   1.00 25.01 ? 24  GLN D NE2 1 
ATOM   2811 N N   . LEU D 1 11  ? 20.474  3.891   0.013   1.00 30.25 ? 25  LEU D N   1 
ATOM   2812 C CA  . LEU D 1 11  ? 21.784  3.435   0.472   1.00 31.64 ? 25  LEU D CA  1 
ATOM   2813 C C   . LEU D 1 11  ? 22.439  2.417   -0.460  1.00 32.96 ? 25  LEU D C   1 
ATOM   2814 O O   . LEU D 1 11  ? 23.274  1.626   -0.010  1.00 34.68 ? 25  LEU D O   1 
ATOM   2815 C CB  . LEU D 1 11  ? 21.691  2.859   1.885   1.00 31.83 ? 25  LEU D CB  1 
ATOM   2816 C CG  . LEU D 1 11  ? 21.301  3.831   2.994   1.00 33.02 ? 25  LEU D CG  1 
ATOM   2817 C CD1 . LEU D 1 11  ? 21.307  3.118   4.336   1.00 33.61 ? 25  LEU D CD1 1 
ATOM   2818 C CD2 . LEU D 1 11  ? 22.239  5.029   3.010   1.00 33.11 ? 25  LEU D CD2 1 
ATOM   2819 N N   . GLY D 1 12  ? 22.082  2.407   -1.740  1.00 30.98 ? 26  GLY D N   1 
ATOM   2820 C CA  . GLY D 1 12  ? 22.764  1.561   -2.697  1.00 31.02 ? 26  GLY D CA  1 
ATOM   2821 C C   . GLY D 1 12  ? 22.231  0.154   -2.848  1.00 29.29 ? 26  GLY D C   1 
ATOM   2822 O O   . GLY D 1 12  ? 22.925  -0.689  -3.430  1.00 31.73 ? 26  GLY D O   1 
ATOM   2823 N N   . SER D 1 13  ? 21.035  -0.138  -2.352  1.00 24.71 ? 27  SER D N   1 
ATOM   2824 C CA  . SER D 1 13  ? 20.443  -1.451  -2.567  1.00 22.47 ? 27  SER D CA  1 
ATOM   2825 C C   . SER D 1 13  ? 19.476  -1.408  -3.741  1.00 20.90 ? 27  SER D C   1 
ATOM   2826 O O   . SER D 1 13  ? 18.892  -0.368  -4.051  1.00 21.91 ? 27  SER D O   1 
ATOM   2827 C CB  . SER D 1 13  ? 19.712  -1.933  -1.315  1.00 22.74 ? 27  SER D CB  1 
ATOM   2828 O OG  . SER D 1 13  ? 20.639  -2.263  -0.297  0.77 23.66 ? 27  SER D OG  1 
ATOM   2829 N N   . THR D 1 14  ? 19.312  -2.559  -4.392  1.00 18.95 ? 28  THR D N   1 
ATOM   2830 C CA  . THR D 1 14  ? 18.524  -2.675  -5.613  1.00 19.94 ? 28  THR D CA  1 
ATOM   2831 C C   . THR D 1 14  ? 17.507  -3.793  -5.446  1.00 18.38 ? 28  THR D C   1 
ATOM   2832 O O   . THR D 1 14  ? 17.843  -4.870  -4.948  1.00 20.86 ? 28  THR D O   1 
ATOM   2833 C CB  . THR D 1 14  ? 19.427  -3.012  -6.814  1.00 22.13 ? 28  THR D CB  1 
ATOM   2834 O OG1 . THR D 1 14  ? 20.464  -2.034  -6.923  1.00 25.27 ? 28  THR D OG1 1 
ATOM   2835 C CG2 . THR D 1 14  ? 18.627  -3.043  -8.109  1.00 22.67 ? 28  THR D CG2 1 
ATOM   2836 N N   A PHE D 1 15  ? 16.303  -3.610  -5.954  0.52 17.30 ? 29  PHE D N   1 
ATOM   2837 N N   B PHE D 1 15  ? 16.262  -3.489  -5.838  0.48 16.70 ? 29  PHE D N   1 
ATOM   2838 C CA  A PHE D 1 15  ? 15.515  -4.809  -6.183  0.52 16.27 ? 29  PHE D CA  1 
ATOM   2839 C CA  B PHE D 1 15  ? 15.042  -4.234  -5.521  0.48 15.55 ? 29  PHE D CA  1 
ATOM   2840 C C   A PHE D 1 15  ? 14.819  -4.763  -7.531  0.52 15.03 ? 29  PHE D C   1 
ATOM   2841 C C   B PHE D 1 15  ? 14.339  -4.515  -6.845  0.48 15.12 ? 29  PHE D C   1 
ATOM   2842 O O   A PHE D 1 15  ? 14.402  -3.696  -7.987  0.52 13.79 ? 29  PHE D O   1 
ATOM   2843 O O   B PHE D 1 15  ? 13.753  -3.609  -7.448  0.48 17.28 ? 29  PHE D O   1 
ATOM   2844 C CB  A PHE D 1 15  ? 14.580  -5.167  -5.014  0.52 15.84 ? 29  PHE D CB  1 
ATOM   2845 C CB  B PHE D 1 15  ? 14.169  -3.374  -4.596  0.48 16.18 ? 29  PHE D CB  1 
ATOM   2846 C CG  A PHE D 1 15  ? 13.390  -4.261  -4.851  0.52 16.25 ? 29  PHE D CG  1 
ATOM   2847 C CG  B PHE D 1 15  ? 12.736  -3.840  -4.433  0.48 16.10 ? 29  PHE D CG  1 
ATOM   2848 C CD1 A PHE D 1 15  ? 12.216  -4.505  -5.546  0.52 16.97 ? 29  PHE D CD1 1 
ATOM   2849 C CD1 B PHE D 1 15  ? 12.424  -5.169  -4.217  0.48 16.22 ? 29  PHE D CD1 1 
ATOM   2850 C CD2 A PHE D 1 15  ? 13.418  -3.217  -3.942  0.52 16.18 ? 29  PHE D CD2 1 
ATOM   2851 C CD2 B PHE D 1 15  ? 11.703  -2.914  -4.424  0.48 16.40 ? 29  PHE D CD2 1 
ATOM   2852 C CE1 A PHE D 1 15  ? 11.109  -3.693  -5.375  0.52 16.72 ? 29  PHE D CE1 1 
ATOM   2853 C CE1 B PHE D 1 15  ? 11.104  -5.564  -4.040  0.48 16.29 ? 29  PHE D CE1 1 
ATOM   2854 C CE2 A PHE D 1 15  ? 12.312  -2.404  -3.766  0.52 15.54 ? 29  PHE D CE2 1 
ATOM   2855 C CE2 B PHE D 1 15  ? 10.386  -3.304  -4.250  0.48 16.18 ? 29  PHE D CE2 1 
ATOM   2856 C CZ  A PHE D 1 15  ? 11.158  -2.642  -4.482  0.52 16.00 ? 29  PHE D CZ  1 
ATOM   2857 C CZ  B PHE D 1 15  ? 10.086  -4.631  -4.053  0.48 16.03 ? 29  PHE D CZ  1 
ATOM   2858 N N   A ILE D 1 16  ? 14.748  -5.919  -8.185  0.52 14.86 ? 30  ILE D N   1 
ATOM   2859 N N   B ILE D 1 16  ? 14.407  -5.763  -7.300  0.48 14.25 ? 30  ILE D N   1 
ATOM   2860 C CA  A ILE D 1 16  ? 13.899  -6.110  -9.353  0.52 16.09 ? 30  ILE D CA  1 
ATOM   2861 C CA  B ILE D 1 16  ? 13.965  -6.165  -8.632  0.48 14.24 ? 30  ILE D CA  1 
ATOM   2862 C C   A ILE D 1 16  ? 12.754  -7.026  -8.947  0.52 16.99 ? 30  ILE D C   1 
ATOM   2863 C C   B ILE D 1 16  ? 12.685  -6.969  -8.461  0.48 13.93 ? 30  ILE D C   1 
ATOM   2864 O O   A ILE D 1 16  ? 12.962  -8.193  -8.591  0.52 17.95 ? 30  ILE D O   1 
ATOM   2865 O O   B ILE D 1 16  ? 12.710  -8.040  -7.844  0.48 13.06 ? 30  ILE D O   1 
ATOM   2866 C CB  A ILE D 1 16  ? 14.666  -6.630  -10.581 0.52 17.28 ? 30  ILE D CB  1 
ATOM   2867 C CB  B ILE D 1 16  ? 15.045  -7.019  -9.312  0.48 15.50 ? 30  ILE D CB  1 
ATOM   2868 C CG1 A ILE D 1 16  ? 13.679  -6.980  -11.702 0.52 17.50 ? 30  ILE D CG1 1 
ATOM   2869 C CG1 B ILE D 1 16  ? 16.377  -6.264  -9.335  0.48 18.15 ? 30  ILE D CG1 1 
ATOM   2870 C CG2 A ILE D 1 16  ? 15.529  -7.829  -10.231 0.52 19.01 ? 30  ILE D CG2 1 
ATOM   2871 C CG2 B ILE D 1 16  ? 14.602  -7.425  -10.707 0.48 14.76 ? 30  ILE D CG2 1 
ATOM   2872 C CD1 A ILE D 1 16  ? 13.729  -6.056  -12.920 0.52 18.86 ? 30  ILE D CD1 1 
ATOM   2873 C CD1 B ILE D 1 16  ? 17.562  -7.115  -9.714  0.48 20.04 ? 30  ILE D CD1 1 
ATOM   2874 N N   . VAL D 1 17  ? 11.556  -6.473  -8.983  1.00 16.46 ? 31  VAL D N   1 
ATOM   2875 C CA  . VAL D 1 17  ? 10.296  -7.101  -8.612  1.00 16.30 ? 31  VAL D CA  1 
ATOM   2876 C C   . VAL D 1 17  ? 9.377   -7.257  -9.815  1.00 16.60 ? 31  VAL D C   1 
ATOM   2877 O O   . VAL D 1 17  ? 9.415   -6.470  -10.765 1.00 17.19 ? 31  VAL D O   1 
ATOM   2878 C CB  . VAL D 1 17  ? 9.602   -6.295  -7.485  1.00 16.21 ? 31  VAL D CB  1 
ATOM   2879 C CG1 . VAL D 1 17  ? 9.060   -4.966  -8.016  1.00 16.71 ? 31  VAL D CG1 1 
ATOM   2880 C CG2 . VAL D 1 17  ? 8.522   -7.127  -6.791  1.00 17.02 ? 31  VAL D CG2 1 
ATOM   2881 N N   . THR D 1 18  ? 8.553   -8.302  -9.767  1.00 17.88 ? 32  THR D N   1 
ATOM   2882 C CA  . THR D 1 18  ? 7.421   -8.466  -10.667 1.00 17.98 ? 32  THR D CA  1 
ATOM   2883 C C   . THR D 1 18  ? 6.151   -8.454  -9.829  1.00 17.39 ? 32  THR D C   1 
ATOM   2884 O O   . THR D 1 18  ? 6.044   -9.199  -8.847  1.00 17.40 ? 32  THR D O   1 
ATOM   2885 C CB  . THR D 1 18  ? 7.518   -9.777  -11.453 1.00 20.60 ? 32  THR D CB  1 
ATOM   2886 O OG1 . THR D 1 18  ? 8.630   -9.709  -12.357 1.00 22.88 ? 32  THR D OG1 1 
ATOM   2887 C CG2 . THR D 1 18  ? 6.231   -10.017 -12.245 1.00 22.07 ? 32  THR D CG2 1 
ATOM   2888 N N   . ALA D 1 19  ? 5.202   -7.603  -10.206 1.00 17.89 ? 33  ALA D N   1 
ATOM   2889 C CA  . ALA D 1 19  ? 3.905   -7.527  -9.544  1.00 18.57 ? 33  ALA D CA  1 
ATOM   2890 C C   . ALA D 1 19  ? 2.892   -8.305  -10.375 1.00 19.49 ? 33  ALA D C   1 
ATOM   2891 O O   . ALA D 1 19  ? 2.477   -7.850  -11.448 1.00 22.12 ? 33  ALA D O   1 
ATOM   2892 C CB  . ALA D 1 19  ? 3.473   -6.073  -9.355  1.00 19.92 ? 33  ALA D CB  1 
ATOM   2893 N N   . GLY D 1 20  ? 2.502   -9.488  -9.883  1.00 19.02 ? 34  GLY D N   1 
ATOM   2894 C CA  . GLY D 1 20  ? 1.602   -10.337 -10.634 1.00 20.34 ? 34  GLY D CA  1 
ATOM   2895 C C   . GLY D 1 20  ? 0.162   -9.872  -10.554 1.00 19.97 ? 34  GLY D C   1 
ATOM   2896 O O   . GLY D 1 20  ? -0.221  -9.122  -9.655  1.00 20.20 ? 34  GLY D O   1 
ATOM   2897 N N   . ALA D 1 21  ? -0.648  -10.345 -11.508 1.00 21.78 ? 35  ALA D N   1 
ATOM   2898 C CA  . ALA D 1 21  ? -2.041  -9.917  -11.584 1.00 23.70 ? 35  ALA D CA  1 
ATOM   2899 C C   . ALA D 1 21  ? -2.835  -10.302 -10.341 1.00 25.40 ? 35  ALA D C   1 
ATOM   2900 O O   . ALA D 1 21  ? -3.858  -9.672  -10.051 1.00 27.56 ? 35  ALA D O   1 
ATOM   2901 C CB  . ALA D 1 21  ? -2.710  -10.499 -12.831 1.00 23.90 ? 35  ALA D CB  1 
ATOM   2902 N N   . ASP D 1 22  ? -2.378  -11.309 -9.604  1.00 24.06 ? 36  ASP D N   1 
ATOM   2903 C CA  . ASP D 1 22  ? -3.083  -11.865 -8.457  1.00 26.17 ? 36  ASP D CA  1 
ATOM   2904 C C   . ASP D 1 22  ? -2.691  -11.224 -7.130  1.00 24.04 ? 36  ASP D C   1 
ATOM   2905 O O   . ASP D 1 22  ? -3.239  -11.609 -6.093  1.00 25.54 ? 36  ASP D O   1 
ATOM   2906 C CB  . ASP D 1 22  ? -2.818  -13.373 -8.383  1.00 29.56 ? 36  ASP D CB  1 
ATOM   2907 C CG  . ASP D 1 22  ? -1.334  -13.699 -8.241  1.00 32.06 ? 36  ASP D CG  1 
ATOM   2908 O OD1 . ASP D 1 22  ? -0.496  -12.828 -8.575  1.00 30.51 ? 36  ASP D OD1 1 
ATOM   2909 O OD2 . ASP D 1 22  ? -1.008  -14.823 -7.793  1.00 33.76 ? 36  ASP D OD2 1 
ATOM   2910 N N   . GLY D 1 23  ? -1.769  -10.265 -7.126  1.00 19.78 ? 37  GLY D N   1 
ATOM   2911 C CA  . GLY D 1 23  ? -1.287  -9.676  -5.893  1.00 17.83 ? 37  GLY D CA  1 
ATOM   2912 C C   . GLY D 1 23  ? 0.087   -10.131 -5.462  1.00 15.80 ? 37  GLY D C   1 
ATOM   2913 O O   . GLY D 1 23  ? 0.557   -9.700  -4.406  1.00 16.32 ? 37  GLY D O   1 
ATOM   2914 N N   . ALA D 1 24  ? 0.751   -10.974 -6.245  1.00 16.21 ? 38  ALA D N   1 
ATOM   2915 C CA  . ALA D 1 24  ? 2.048   -11.505 -5.859  1.00 16.42 ? 38  ALA D CA  1 
ATOM   2916 C C   . ALA D 1 24  ? 3.158   -10.502 -6.145  1.00 15.06 ? 38  ALA D C   1 
ATOM   2917 O O   . ALA D 1 24  ? 3.157   -9.828  -7.180  1.00 16.55 ? 38  ALA D O   1 
ATOM   2918 C CB  . ALA D 1 24  ? 2.332   -12.798 -6.630  1.00 17.15 ? 38  ALA D CB  1 
ATOM   2919 N N   . LEU D 1 25  ? 4.114   -10.416 -5.225  1.00 13.88 ? 39  LEU D N   1 
ATOM   2920 C CA  . LEU D 1 25  ? 5.404   -9.788  -5.476  1.00 14.61 ? 39  LEU D CA  1 
ATOM   2921 C C   . LEU D 1 25  ? 6.471   -10.873 -5.439  1.00 14.52 ? 39  LEU D C   1 
ATOM   2922 O O   . LEU D 1 25  ? 6.536   -11.652 -4.483  1.00 15.10 ? 39  LEU D O   1 
ATOM   2923 C CB  . LEU D 1 25  ? 5.716   -8.710  -4.433  1.00 14.48 ? 39  LEU D CB  1 
ATOM   2924 C CG  . LEU D 1 25  ? 4.797   -7.488  -4.345  1.00 15.53 ? 39  LEU D CG  1 
ATOM   2925 C CD1 . LEU D 1 25  ? 5.266   -6.566  -3.216  1.00 16.57 ? 39  LEU D CD1 1 
ATOM   2926 C CD2 . LEU D 1 25  ? 4.723   -6.724  -5.679  1.00 16.20 ? 39  LEU D CD2 1 
ATOM   2927 N N   . THR D 1 26  ? 7.279   -10.949 -6.494  1.00 15.07 ? 40  THR D N   1 
ATOM   2928 C CA  . THR D 1 26  ? 8.380   -11.899 -6.562  1.00 15.95 ? 40  THR D CA  1 
ATOM   2929 C C   . THR D 1 26  ? 9.581   -11.187 -7.162  1.00 15.92 ? 40  THR D C   1 
ATOM   2930 O O   . THR D 1 26  ? 9.426   -10.285 -7.986  1.00 18.29 ? 40  THR D O   1 
ATOM   2931 C CB  . THR D 1 26  ? 8.027   -13.104 -7.450  1.00 17.52 ? 40  THR D CB  1 
ATOM   2932 O OG1 . THR D 1 26  ? 7.701   -12.641 -8.762  1.00 18.92 ? 40  THR D OG1 1 
ATOM   2933 C CG2 . THR D 1 26  ? 6.833   -13.850 -6.901  1.00 17.88 ? 40  THR D CG2 1 
ATOM   2934 N N   . GLY D 1 27  ? 10.778  -11.603 -6.773  1.00 15.54 ? 41  GLY D N   1 
ATOM   2935 C CA  . GLY D 1 27  ? 11.942  -10.978 -7.374  1.00 16.03 ? 41  GLY D CA  1 
ATOM   2936 C C   . GLY D 1 27  ? 13.208  -11.247 -6.578  1.00 14.51 ? 41  GLY D C   1 
ATOM   2937 O O   . GLY D 1 27  ? 13.312  -12.248 -5.870  1.00 15.24 ? 41  GLY D O   1 
ATOM   2938 N N   A THR D 1 28  ? 14.177  -10.356 -6.764  0.28 15.21 ? 42  THR D N   1 
ATOM   2939 N N   B THR D 1 28  ? 14.149  -10.310 -6.698  0.72 15.42 ? 42  THR D N   1 
ATOM   2940 C CA  A THR D 1 28  ? 15.474  -10.455 -6.119  0.28 15.74 ? 42  THR D CA  1 
ATOM   2941 C CA  B THR D 1 28  ? 15.498  -10.449 -6.166  0.72 16.39 ? 42  THR D CA  1 
ATOM   2942 C C   A THR D 1 28  ? 15.789  -9.129  -5.449  0.28 15.47 ? 42  THR D C   1 
ATOM   2943 C C   B THR D 1 28  ? 15.926  -9.129  -5.538  0.72 15.99 ? 42  THR D C   1 
ATOM   2944 O O   A THR D 1 28  ? 15.357  -8.067  -5.905  0.28 15.75 ? 42  THR D O   1 
ATOM   2945 O O   B THR D 1 28  ? 15.697  -8.061  -6.111  0.72 17.09 ? 42  THR D O   1 
ATOM   2946 C CB  A THR D 1 28  ? 16.592  -10.757 -7.133  0.28 16.42 ? 42  THR D CB  1 
ATOM   2947 C CB  B THR D 1 28  ? 16.472  -10.826 -7.300  0.72 17.71 ? 42  THR D CB  1 
ATOM   2948 O OG1 A THR D 1 28  ? 16.831  -9.597  -7.935  0.28 17.05 ? 42  THR D OG1 1 
ATOM   2949 O OG1 B THR D 1 28  ? 16.106  -12.099 -7.850  0.72 18.72 ? 42  THR D OG1 1 
ATOM   2950 C CG2 A THR D 1 28  ? 16.208  -11.907 -8.043  0.28 16.65 ? 42  THR D CG2 1 
ATOM   2951 C CG2 B THR D 1 28  ? 17.905  -10.899 -6.797  0.72 18.84 ? 42  THR D CG2 1 
ATOM   2952 N N   . TYR D 1 29  ? 16.542  -9.204  -4.357  1.00 15.32 ? 43  TYR D N   1 
ATOM   2953 C CA  . TYR D 1 29  ? 17.050  -8.032  -3.653  1.00 15.91 ? 43  TYR D CA  1 
ATOM   2954 C C   . TYR D 1 29  ? 18.566  -8.147  -3.609  1.00 16.49 ? 43  TYR D C   1 
ATOM   2955 O O   . TYR D 1 29  ? 19.095  -9.207  -3.266  1.00 16.96 ? 43  TYR D O   1 
ATOM   2956 C CB  . TYR D 1 29  ? 16.491  -7.982  -2.228  1.00 16.17 ? 43  TYR D CB  1 
ATOM   2957 C CG  . TYR D 1 29  ? 16.530  -6.610  -1.590  1.00 16.27 ? 43  TYR D CG  1 
ATOM   2958 C CD1 . TYR D 1 29  ? 17.660  -6.166  -0.919  1.00 16.90 ? 43  TYR D CD1 1 
ATOM   2959 C CD2 . TYR D 1 29  ? 15.434  -5.759  -1.663  1.00 16.75 ? 43  TYR D CD2 1 
ATOM   2960 C CE1 . TYR D 1 29  ? 17.692  -4.909  -0.326  1.00 17.35 ? 43  TYR D CE1 1 
ATOM   2961 C CE2 . TYR D 1 29  ? 15.458  -4.498  -1.081  1.00 16.35 ? 43  TYR D CE2 1 
ATOM   2962 C CZ  . TYR D 1 29  ? 16.589  -4.080  -0.419  1.00 17.52 ? 43  TYR D CZ  1 
ATOM   2963 O OH  . TYR D 1 29  ? 16.607  -2.831  0.161   1.00 18.51 ? 43  TYR D OH  1 
ATOM   2964 N N   . GLU D 1 30  ? 19.272  -7.077  -3.971  1.00 16.86 ? 44  GLU D N   1 
ATOM   2965 C CA  . GLU D 1 30  ? 20.722  -7.179  -4.099  1.00 20.31 ? 44  GLU D CA  1 
ATOM   2966 C C   . GLU D 1 30  ? 21.383  -5.849  -3.754  1.00 21.80 ? 44  GLU D C   1 
ATOM   2967 O O   . GLU D 1 30  ? 20.723  -4.868  -3.398  1.00 20.68 ? 44  GLU D O   1 
ATOM   2968 C CB  . GLU D 1 30  ? 21.117  -7.650  -5.502  1.00 23.88 ? 44  GLU D CB  1 
ATOM   2969 C CG  . GLU D 1 30  ? 20.727  -6.684  -6.598  1.00 26.95 ? 44  GLU D CG  1 
ATOM   2970 C CD  . GLU D 1 30  ? 21.006  -7.234  -7.981  1.00 30.24 ? 44  GLU D CD  1 
ATOM   2971 O OE1 . GLU D 1 30  ? 20.931  -8.465  -8.156  1.00 31.39 ? 44  GLU D OE1 1 
ATOM   2972 O OE2 . GLU D 1 30  ? 21.303  -6.436  -8.891  1.00 32.34 ? 44  GLU D OE2 1 
ATOM   2973 N N   . SER D 1 31  ? 22.709  -5.827  -3.867  1.00 23.84 ? 45  SER D N   1 
ATOM   2974 C CA  . SER D 1 31  ? 23.480  -4.620  -3.624  1.00 25.61 ? 45  SER D CA  1 
ATOM   2975 C C   . SER D 1 31  ? 23.673  -3.851  -4.931  1.00 27.67 ? 45  SER D C   1 
ATOM   2976 O O   . SER D 1 31  ? 23.280  -4.299  -6.012  1.00 28.10 ? 45  SER D O   1 
ATOM   2977 C CB  . SER D 1 31  ? 24.821  -4.967  -2.984  1.00 26.72 ? 45  SER D CB  1 
ATOM   2978 O OG  . SER D 1 31  ? 25.723  -5.479  -3.948  1.00 27.95 ? 45  SER D OG  1 
ATOM   2979 N N   . ALA D 1 32  ? 24.298  -2.674  -4.826  1.00 29.80 ? 46  ALA D N   1 
ATOM   2980 C CA  . ALA D 1 32  ? 24.517  -1.834  -6.000  1.00 31.61 ? 46  ALA D CA  1 
ATOM   2981 C C   . ALA D 1 32  ? 25.396  -2.531  -7.031  1.00 33.37 ? 46  ALA D C   1 
ATOM   2982 O O   . ALA D 1 32  ? 25.105  -2.491  -8.232  1.00 34.88 ? 46  ALA D O   1 
ATOM   2983 C CB  . ALA D 1 32  ? 25.134  -0.498  -5.583  1.00 31.65 ? 46  ALA D CB  1 
ATOM   2984 N N   . VAL D 1 33  ? 26.478  -3.171  -6.583  1.00 33.84 ? 47  VAL D N   1 
ATOM   2985 C CA  . VAL D 1 33  ? 27.353  -3.877  -7.516  1.00 34.41 ? 47  VAL D CA  1 
ATOM   2986 C C   . VAL D 1 33  ? 26.633  -5.074  -8.126  1.00 33.82 ? 47  VAL D C   1 
ATOM   2987 O O   . VAL D 1 33  ? 26.781  -5.364  -9.319  1.00 34.07 ? 47  VAL D O   1 
ATOM   2988 C CB  . VAL D 1 33  ? 28.684  -4.263  -6.841  1.00 35.53 ? 47  VAL D CB  1 
ATOM   2989 C CG1 . VAL D 1 33  ? 28.437  -4.855  -5.474  1.00 35.80 ? 47  VAL D CG1 1 
ATOM   2990 C CG2 . VAL D 1 33  ? 29.460  -5.247  -7.707  1.00 36.27 ? 47  VAL D CG2 1 
ATOM   2991 N N   . GLY D 1 34  ? 25.835  -5.777  -7.326  1.00 32.42 ? 48  GLY D N   1 
ATOM   2992 C CA  . GLY D 1 34  ? 25.031  -6.863  -7.845  1.00 31.14 ? 48  GLY D CA  1 
ATOM   2993 C C   . GLY D 1 34  ? 25.756  -8.171  -8.042  1.00 29.46 ? 48  GLY D C   1 
ATOM   2994 O O   . GLY D 1 34  ? 25.316  -8.992  -8.855  1.00 30.79 ? 48  GLY D O   1 
ATOM   2995 N N   . ASN D 1 35  ? 26.858  -8.397  -7.332  1.00 27.11 ? 49  ASN D N   1 
ATOM   2996 C CA  . ASN D 1 35  ? 27.515  -9.690  -7.403  1.00 25.85 ? 49  ASN D CA  1 
ATOM   2997 C C   . ASN D 1 35  ? 26.618  -10.765 -6.796  1.00 24.12 ? 49  ASN D C   1 
ATOM   2998 O O   . ASN D 1 35  ? 25.745  -10.490 -5.966  1.00 23.28 ? 49  ASN D O   1 
ATOM   2999 C CB  . ASN D 1 35  ? 28.862  -9.655  -6.683  1.00 26.82 ? 49  ASN D CB  1 
ATOM   3000 C CG  . ASN D 1 35  ? 28.743  -9.186  -5.250  1.00 27.82 ? 49  ASN D CG  1 
ATOM   3001 O OD1 . ASN D 1 35  ? 28.222  -8.102  -4.978  1.00 27.89 ? 49  ASN D OD1 1 
ATOM   3002 N ND2 . ASN D 1 35  ? 29.216  -10.006 -4.321  1.00 28.64 ? 49  ASN D ND2 1 
ATOM   3003 N N   . ALA D 1 36  ? 26.851  -12.009 -7.224  1.00 24.02 ? 50  ALA D N   1 
ATOM   3004 C CA  . ALA D 1 36  ? 25.979  -13.113 -6.839  1.00 23.63 ? 50  ALA D CA  1 
ATOM   3005 C C   . ALA D 1 36  ? 25.898  -13.285 -5.328  1.00 22.08 ? 50  ALA D C   1 
ATOM   3006 O O   . ALA D 1 36  ? 24.843  -13.666 -4.806  1.00 21.38 ? 50  ALA D O   1 
ATOM   3007 C CB  . ALA D 1 36  ? 26.450  -14.408 -7.508  1.00 24.18 ? 50  ALA D CB  1 
ATOM   3008 N N   . GLU D 1 37  ? 26.988  -13.002 -4.608  1.00 22.26 ? 51  GLU D N   1 
ATOM   3009 C CA  . GLU D 1 37  ? 26.980  -13.177 -3.161  1.00 22.93 ? 51  GLU D CA  1 
ATOM   3010 C C   . GLU D 1 37  ? 26.026  -12.215 -2.468  1.00 21.20 ? 51  GLU D C   1 
ATOM   3011 O O   . GLU D 1 37  ? 25.671  -12.441 -1.306  1.00 21.90 ? 51  GLU D O   1 
ATOM   3012 C CB  . GLU D 1 37  ? 28.388  -13.000 -2.589  1.00 24.53 ? 51  GLU D CB  1 
ATOM   3013 C CG  . GLU D 1 37  ? 29.378  -14.074 -2.993  1.00 25.55 ? 51  GLU D CG  1 
ATOM   3014 C CD  . GLU D 1 37  ? 30.062  -13.780 -4.319  1.00 26.07 ? 51  GLU D CD  1 
ATOM   3015 O OE1 . GLU D 1 37  ? 29.682  -12.795 -4.992  1.00 26.19 ? 51  GLU D OE1 1 
ATOM   3016 O OE2 . GLU D 1 37  ? 30.987  -14.534 -4.680  1.00 26.07 ? 51  GLU D OE2 1 
ATOM   3017 N N   . SER D 1 38  ? 25.593  -11.159 -3.155  1.00 20.11 ? 52  SER D N   1 
ATOM   3018 C CA  . SER D 1 38  ? 24.750  -10.131 -2.563  1.00 20.08 ? 52  SER D CA  1 
ATOM   3019 C C   . SER D 1 38  ? 23.282  -10.244 -2.955  1.00 18.08 ? 52  SER D C   1 
ATOM   3020 O O   . SER D 1 38  ? 22.493  -9.380  -2.567  1.00 17.89 ? 52  SER D O   1 
ATOM   3021 C CB  . SER D 1 38  ? 25.261  -8.743  -2.960  1.00 23.32 ? 52  SER D CB  1 
ATOM   3022 O OG  . SER D 1 38  ? 24.982  -8.482  -4.329  1.00 26.46 ? 52  SER D OG  1 
ATOM   3023 N N   . ARG D 1 39  ? 22.894  -11.268 -3.712  1.00 18.25 ? 53  ARG D N   1 
ATOM   3024 C CA  . ARG D 1 39  ? 21.532  -11.391 -4.222  1.00 17.47 ? 53  ARG D CA  1 
ATOM   3025 C C   . ARG D 1 39  ? 20.735  -12.386 -3.391  1.00 15.71 ? 53  ARG D C   1 
ATOM   3026 O O   . ARG D 1 39  ? 21.228  -13.474 -3.070  1.00 16.50 ? 53  ARG D O   1 
ATOM   3027 C CB  . ARG D 1 39  ? 21.522  -11.879 -5.673  1.00 19.86 ? 53  ARG D CB  1 
ATOM   3028 C CG  . ARG D 1 39  ? 22.362  -11.077 -6.640  1.00 23.61 ? 53  ARG D CG  1 
ATOM   3029 C CD  . ARG D 1 39  ? 22.018  -11.451 -8.083  1.00 27.08 ? 53  ARG D CD  1 
ATOM   3030 N NE  . ARG D 1 39  ? 23.134  -11.218 -8.989  1.00 29.84 ? 53  ARG D NE  1 
ATOM   3031 C CZ  . ARG D 1 39  ? 23.813  -12.178 -9.604  1.00 32.36 ? 53  ARG D CZ  1 
ATOM   3032 N NH1 . ARG D 1 39  ? 23.494  -13.454 -9.458  1.00 32.98 ? 53  ARG D NH1 1 
ATOM   3033 N NH2 . ARG D 1 39  ? 24.832  -11.848 -10.393 1.00 33.82 ? 53  ARG D NH2 1 
ATOM   3034 N N   . TYR D 1 40  ? 19.487  -12.020 -3.083  1.00 14.57 ? 54  TYR D N   1 
ATOM   3035 C CA  . TYR D 1 40  ? 18.609  -12.824 -2.241  1.00 14.54 ? 54  TYR D CA  1 
ATOM   3036 C C   . TYR D 1 40  ? 17.204  -12.846 -2.830  1.00 14.86 ? 54  TYR D C   1 
ATOM   3037 O O   . TYR D 1 40  ? 16.765  -11.885 -3.469  1.00 14.98 ? 54  TYR D O   1 
ATOM   3038 C CB  . TYR D 1 40  ? 18.537  -12.257 -0.812  1.00 14.88 ? 54  TYR D CB  1 
ATOM   3039 C CG  . TYR D 1 40  ? 19.884  -12.168 -0.126  1.00 14.98 ? 54  TYR D CG  1 
ATOM   3040 C CD1 . TYR D 1 40  ? 20.729  -11.082 -0.347  1.00 16.90 ? 54  TYR D CD1 1 
ATOM   3041 C CD2 . TYR D 1 40  ? 20.315  -13.167 0.745   1.00 15.46 ? 54  TYR D CD2 1 
ATOM   3042 C CE1 . TYR D 1 40  ? 21.958  -10.987 0.274   1.00 17.46 ? 54  TYR D CE1 1 
ATOM   3043 C CE2 . TYR D 1 40  ? 21.549  -13.081 1.378   1.00 16.61 ? 54  TYR D CE2 1 
ATOM   3044 C CZ  . TYR D 1 40  ? 22.367  -11.986 1.137   1.00 17.43 ? 54  TYR D CZ  1 
ATOM   3045 O OH  . TYR D 1 40  ? 23.593  -11.889 1.759   1.00 18.74 ? 54  TYR D OH  1 
ATOM   3046 N N   . VAL D 1 41  ? 16.496  -13.954 -2.590  1.00 14.49 ? 55  VAL D N   1 
ATOM   3047 C CA  . VAL D 1 41  ? 15.099  -14.088 -3.000  1.00 15.43 ? 55  VAL D CA  1 
ATOM   3048 C C   . VAL D 1 41  ? 14.208  -13.166 -2.170  1.00 16.19 ? 55  VAL D C   1 
ATOM   3049 O O   . VAL D 1 41  ? 14.398  -13.002 -0.955  1.00 16.21 ? 55  VAL D O   1 
ATOM   3050 C CB  . VAL D 1 41  ? 14.656  -15.556 -2.849  1.00 16.98 ? 55  VAL D CB  1 
ATOM   3051 C CG1 . VAL D 1 41  ? 13.154  -15.720 -3.118  1.00 17.21 ? 55  VAL D CG1 1 
ATOM   3052 C CG2 . VAL D 1 41  ? 15.448  -16.461 -3.785  1.00 16.24 ? 55  VAL D CG2 1 
ATOM   3053 N N   A LEU D 1 42  ? 13.257  -12.512 -2.827  0.76 16.87 ? 56  LEU D N   1 
ATOM   3054 N N   B LEU D 1 42  ? 13.153  -12.658 -2.814  0.24 16.80 ? 56  LEU D N   1 
ATOM   3055 C CA  A LEU D 1 42  ? 12.219  -11.788 -2.115  0.76 18.84 ? 56  LEU D CA  1 
ATOM   3056 C CA  B LEU D 1 42  ? 12.227  -11.691 -2.241  0.24 17.11 ? 56  LEU D CA  1 
ATOM   3057 C C   A LEU D 1 42  ? 10.854  -12.284 -2.556  0.76 17.21 ? 56  LEU D C   1 
ATOM   3058 C C   B LEU D 1 42  ? 10.802  -12.067 -2.630  0.24 16.32 ? 56  LEU D C   1 
ATOM   3059 O O   A LEU D 1 42  ? 10.665  -12.735 -3.692  0.76 18.43 ? 56  LEU D O   1 
ATOM   3060 O O   B LEU D 1 42  ? 10.517  -12.244 -3.819  0.24 15.85 ? 56  LEU D O   1 
ATOM   3061 C CB  A LEU D 1 42  ? 12.305  -10.280 -2.330  0.76 20.43 ? 56  LEU D CB  1 
ATOM   3062 C CB  B LEU D 1 42  ? 12.560  -10.325 -2.834  0.24 17.57 ? 56  LEU D CB  1 
ATOM   3063 C CG  A LEU D 1 42  ? 11.841  -9.705  -3.669  0.76 20.18 ? 56  LEU D CG  1 
ATOM   3064 C CG  B LEU D 1 42  ? 11.882  -9.075  -2.307  0.24 17.95 ? 56  LEU D CG  1 
ATOM   3065 C CD1 A LEU D 1 42  ? 10.345  -9.339  -3.699  0.76 18.24 ? 56  LEU D CD1 1 
ATOM   3066 C CD1 B LEU D 1 42  ? 12.880  -7.957  -2.440  0.24 18.29 ? 56  LEU D CD1 1 
ATOM   3067 C CD2 A LEU D 1 42  ? 12.691  -8.502  -4.030  0.76 21.81 ? 56  LEU D CD2 1 
ATOM   3068 C CD2 B LEU D 1 42  ? 10.608  -8.767  -3.078  0.24 17.51 ? 56  LEU D CD2 1 
ATOM   3069 N N   . THR D 1 43  ? 9.900   -12.164 -1.644  1.00 16.82 ? 57  THR D N   1 
ATOM   3070 C CA  . THR D 1 43  ? 8.515   -12.502 -1.917  1.00 15.62 ? 57  THR D CA  1 
ATOM   3071 C C   . THR D 1 43  ? 7.608   -11.646 -1.041  1.00 12.71 ? 57  THR D C   1 
ATOM   3072 O O   . THR D 1 43  ? 7.951   -11.338 0.106   1.00 12.73 ? 57  THR D O   1 
ATOM   3073 C CB  A THR D 1 43  ? 8.190   -13.989 -1.731  0.48 16.62 ? 57  THR D CB  1 
ATOM   3074 C CB  B THR D 1 43  ? 8.318   -13.997 -1.634  0.52 17.69 ? 57  THR D CB  1 
ATOM   3075 O OG1 A THR D 1 43  ? 6.826   -14.216 -2.099  0.48 20.17 ? 57  THR D OG1 1 
ATOM   3076 O OG1 B THR D 1 43  ? 9.334   -14.746 -2.319  0.52 18.08 ? 57  THR D OG1 1 
ATOM   3077 C CG2 A THR D 1 43  ? 8.361   -14.399 -0.297  0.48 14.24 ? 57  THR D CG2 1 
ATOM   3078 C CG2 B THR D 1 43  ? 6.981   -14.460 -2.117  0.52 20.07 ? 57  THR D CG2 1 
ATOM   3079 N N   . GLY D 1 44  ? 6.468   -11.248 -1.589  1.00 12.66 ? 58  GLY D N   1 
ATOM   3080 C CA  . GLY D 1 44  ? 5.519   -10.446 -0.845  1.00 12.57 ? 58  GLY D CA  1 
ATOM   3081 C C   . GLY D 1 44  ? 4.178   -10.349 -1.545  1.00 11.98 ? 58  GLY D C   1 
ATOM   3082 O O   . GLY D 1 44  ? 3.851   -11.161 -2.414  1.00 12.55 ? 58  GLY D O   1 
ATOM   3083 N N   . ARG D 1 45  ? 3.395   -9.346  -1.137  1.00 12.21 ? 59  ARG D N   1 
ATOM   3084 C CA  . ARG D 1 45  ? 2.030   -9.156  -1.610  1.00 12.30 ? 59  ARG D CA  1 
ATOM   3085 C C   . ARG D 1 45  ? 1.761   -7.666  -1.770  1.00 11.73 ? 59  ARG D C   1 
ATOM   3086 O O   . ARG D 1 45  ? 2.350   -6.838  -1.068  1.00 12.39 ? 59  ARG D O   1 
ATOM   3087 C CB  . ARG D 1 45  ? 0.997   -9.731  -0.616  1.00 12.96 ? 59  ARG D CB  1 
ATOM   3088 C CG  . ARG D 1 45  ? 1.146   -11.230 -0.331  1.00 13.52 ? 59  ARG D CG  1 
ATOM   3089 C CD  . ARG D 1 45  ? 0.698   -12.093 -1.504  1.00 15.17 ? 59  ARG D CD  1 
ATOM   3090 N NE  . ARG D 1 45  ? -0.722  -11.930 -1.779  1.00 14.73 ? 59  ARG D NE  1 
ATOM   3091 C CZ  . ARG D 1 45  ? -1.320  -12.344 -2.885  1.00 15.86 ? 59  ARG D CZ  1 
ATOM   3092 N NH1 . ARG D 1 45  ? -0.646  -12.965 -3.842  1.00 15.77 ? 59  ARG D NH1 1 
ATOM   3093 N NH2 . ARG D 1 45  ? -2.622  -12.117 -3.042  1.00 16.70 ? 59  ARG D NH2 1 
ATOM   3094 N N   . TYR D 1 46  ? 0.843   -7.330  -2.675  1.00 13.16 ? 60  TYR D N   1 
ATOM   3095 C CA  . TYR D 1 46  ? 0.395   -5.952  -2.837  1.00 13.70 ? 60  TYR D CA  1 
ATOM   3096 C C   . TYR D 1 46  ? -1.101  -5.941  -3.130  1.00 14.13 ? 60  TYR D C   1 
ATOM   3097 O O   . TYR D 1 46  ? -1.676  -6.939  -3.573  1.00 15.19 ? 60  TYR D O   1 
ATOM   3098 C CB  . TYR D 1 46  ? 1.188   -5.198  -3.925  1.00 14.88 ? 60  TYR D CB  1 
ATOM   3099 C CG  . TYR D 1 46  ? 0.780   -5.566  -5.344  1.00 15.22 ? 60  TYR D CG  1 
ATOM   3100 C CD1 . TYR D 1 46  ? 1.138   -6.795  -5.906  1.00 15.55 ? 60  TYR D CD1 1 
ATOM   3101 C CD2 . TYR D 1 46  ? 0.029   -4.689  -6.121  1.00 16.90 ? 60  TYR D CD2 1 
ATOM   3102 C CE1 . TYR D 1 46  ? 0.754   -7.134  -7.198  1.00 16.96 ? 60  TYR D CE1 1 
ATOM   3103 C CE2 . TYR D 1 46  ? -0.351  -5.018  -7.407  1.00 17.45 ? 60  TYR D CE2 1 
ATOM   3104 C CZ  . TYR D 1 46  ? 0.005   -6.241  -7.938  1.00 17.46 ? 60  TYR D CZ  1 
ATOM   3105 O OH  . TYR D 1 46  ? -0.380  -6.571  -9.225  1.00 19.12 ? 60  TYR D OH  1 
ATOM   3106 N N   . ASP D 1 47  ? -1.731  -4.794  -2.866  1.00 13.56 ? 61  ASP D N   1 
ATOM   3107 C CA  . ASP D 1 47  ? -3.139  -4.574  -3.196  1.00 14.55 ? 61  ASP D CA  1 
ATOM   3108 C C   . ASP D 1 47  ? -3.276  -4.402  -4.708  1.00 15.59 ? 61  ASP D C   1 
ATOM   3109 O O   . ASP D 1 47  ? -2.879  -3.369  -5.265  1.00 15.32 ? 61  ASP D O   1 
ATOM   3110 C CB  . ASP D 1 47  ? -3.626  -3.323  -2.466  1.00 14.56 ? 61  ASP D CB  1 
ATOM   3111 C CG  . ASP D 1 47  ? -5.083  -2.991  -2.751  1.00 14.70 ? 61  ASP D CG  1 
ATOM   3112 O OD1 . ASP D 1 47  ? -5.768  -3.750  -3.482  1.00 15.71 ? 61  ASP D OD1 1 
ATOM   3113 O OD2 . ASP D 1 47  ? -5.548  -1.951  -2.229  1.00 14.64 ? 61  ASP D OD2 1 
ATOM   3114 N N   . SER D 1 48  ? -3.854  -5.401  -5.376  1.00 16.68 ? 62  SER D N   1 
ATOM   3115 C CA  . SER D 1 48  ? -3.976  -5.377  -6.828  1.00 18.85 ? 62  SER D CA  1 
ATOM   3116 C C   . SER D 1 48  ? -5.190  -4.601  -7.318  1.00 19.80 ? 62  SER D C   1 
ATOM   3117 O O   . SER D 1 48  ? -5.381  -4.492  -8.530  1.00 21.12 ? 62  SER D O   1 
ATOM   3118 C CB  . SER D 1 48  ? -3.987  -6.801  -7.398  1.00 20.11 ? 62  SER D CB  1 
ATOM   3119 O OG  . SER D 1 48  ? -5.000  -7.586  -6.799  1.00 21.26 ? 62  SER D OG  1 
ATOM   3120 N N   . ALA D 1 49  ? -6.014  -4.065  -6.425  1.00 19.35 ? 63  ALA D N   1 
ATOM   3121 C CA  . ALA D 1 49  ? -7.140  -3.210  -6.804  1.00 19.01 ? 63  ALA D CA  1 
ATOM   3122 C C   . ALA D 1 49  ? -7.192  -2.015  -5.864  1.00 19.17 ? 63  ALA D C   1 
ATOM   3123 O O   . ALA D 1 49  ? -8.115  -1.879  -5.050  1.00 19.59 ? 63  ALA D O   1 
ATOM   3124 C CB  . ALA D 1 49  ? -8.451  -3.996  -6.785  1.00 19.13 ? 63  ALA D CB  1 
ATOM   3125 N N   . PRO D 1 50  ? -6.210  -1.119  -5.949  1.00 18.96 ? 64  PRO D N   1 
ATOM   3126 C CA  . PRO D 1 50  ? -6.146  0.002   -5.003  1.00 19.82 ? 64  PRO D CA  1 
ATOM   3127 C C   . PRO D 1 50  ? -7.296  0.975   -5.221  1.00 20.63 ? 64  PRO D C   1 
ATOM   3128 O O   . PRO D 1 50  ? -8.010  0.938   -6.227  1.00 22.05 ? 64  PRO D O   1 
ATOM   3129 C CB  . PRO D 1 50  ? -4.798  0.655   -5.325  1.00 19.99 ? 64  PRO D CB  1 
ATOM   3130 C CG  . PRO D 1 50  ? -4.576  0.326   -6.780  1.00 20.62 ? 64  PRO D CG  1 
ATOM   3131 C CD  . PRO D 1 50  ? -5.123  -1.063  -6.947  1.00 19.41 ? 64  PRO D CD  1 
ATOM   3132 N N   . ALA D 1 51  ? -7.472  1.854   -4.237  1.00 21.19 ? 65  ALA D N   1 
ATOM   3133 C CA  . ALA D 1 51  ? -8.465  2.911   -4.342  1.00 22.55 ? 65  ALA D CA  1 
ATOM   3134 C C   . ALA D 1 51  ? -8.101  3.862   -5.481  1.00 24.89 ? 65  ALA D C   1 
ATOM   3135 O O   . ALA D 1 51  ? -6.954  3.925   -5.931  1.00 25.41 ? 65  ALA D O   1 
ATOM   3136 C CB  . ALA D 1 51  ? -8.554  3.681   -3.024  1.00 22.38 ? 65  ALA D CB  1 
ATOM   3137 N N   . THR D 1 52  ? -9.104  4.602   -5.956  1.00 27.04 ? 66  THR D N   1 
ATOM   3138 C CA  . THR D 1 52  ? -8.937  5.532   -7.069  1.00 29.12 ? 66  THR D CA  1 
ATOM   3139 C C   . THR D 1 52  ? -9.139  6.981   -6.636  1.00 30.45 ? 66  THR D C   1 
ATOM   3140 O O   . THR D 1 52  ? -9.533  7.829   -7.440  1.00 32.03 ? 66  THR D O   1 
ATOM   3141 C CB  . THR D 1 52  ? -9.861  5.172   -8.234  1.00 30.63 ? 66  THR D CB  1 
ATOM   3142 O OG1 . THR D 1 52  ? -11.211 5.076   -7.763  1.00 32.46 ? 66  THR D OG1 1 
ATOM   3143 C CG2 . THR D 1 52  ? -9.453  3.844   -8.854  1.00 30.15 ? 66  THR D CG2 1 
ATOM   3144 N N   . ASP D 1 53  ? -8.863  7.279   -5.367  1.00 30.26 ? 67  ASP D N   1 
ATOM   3145 C CA  . ASP D 1 53  ? -9.049  8.612   -4.810  1.00 30.59 ? 67  ASP D CA  1 
ATOM   3146 C C   . ASP D 1 53  ? -7.738  9.364   -4.620  1.00 30.73 ? 67  ASP D C   1 
ATOM   3147 O O   . ASP D 1 53  ? -7.726  10.409  -3.961  1.00 32.91 ? 67  ASP D O   1 
ATOM   3148 C CB  . ASP D 1 53  ? -9.797  8.522   -3.479  1.00 30.37 ? 67  ASP D CB  1 
ATOM   3149 C CG  . ASP D 1 53  ? -9.091  7.631   -2.474  1.00 30.37 ? 67  ASP D CG  1 
ATOM   3150 O OD1 . ASP D 1 53  ? -8.004  7.109   -2.798  1.00 28.92 ? 67  ASP D OD1 1 
ATOM   3151 O OD2 . ASP D 1 53  ? -9.625  7.448   -1.361  1.00 31.47 ? 67  ASP D OD2 1 
ATOM   3152 N N   . GLY D 1 54  ? -6.638  8.861   -5.177  1.00 28.18 ? 68  GLY D N   1 
ATOM   3153 C CA  . GLY D 1 54  ? -5.333  9.453   -4.974  1.00 26.29 ? 68  GLY D CA  1 
ATOM   3154 C C   . GLY D 1 54  ? -4.491  8.784   -3.909  1.00 25.36 ? 68  GLY D C   1 
ATOM   3155 O O   . GLY D 1 54  ? -3.360  9.227   -3.668  1.00 26.93 ? 68  GLY D O   1 
ATOM   3156 N N   . SER D 1 55  ? -4.997  7.735   -3.269  1.00 22.70 ? 69  SER D N   1 
ATOM   3157 C CA  . SER D 1 55  ? -4.243  7.029   -2.243  1.00 20.83 ? 69  SER D CA  1 
ATOM   3158 C C   . SER D 1 55  ? -3.167  6.153   -2.873  1.00 18.69 ? 69  SER D C   1 
ATOM   3159 O O   . SER D 1 55  ? -3.275  5.728   -4.029  1.00 19.72 ? 69  SER D O   1 
ATOM   3160 C CB  . SER D 1 55  ? -5.174  6.136   -1.423  1.00 22.27 ? 69  SER D CB  1 
ATOM   3161 O OG  . SER D 1 55  ? -6.186  6.888   -0.782  1.00 24.43 ? 69  SER D OG  1 
ATOM   3162 N N   . GLY D 1 56  ? -2.128  5.872   -2.092  1.00 16.71 ? 70  GLY D N   1 
ATOM   3163 C CA  . GLY D 1 56  ? -1.101  4.943   -2.507  1.00 15.95 ? 70  GLY D CA  1 
ATOM   3164 C C   . GLY D 1 56  ? -1.587  3.505   -2.498  1.00 14.76 ? 70  GLY D C   1 
ATOM   3165 O O   . GLY D 1 56  ? -2.692  3.184   -2.056  1.00 15.78 ? 70  GLY D O   1 
ATOM   3166 N N   . THR D 1 57  ? -0.724  2.618   -3.002  1.00 14.67 ? 71  THR D N   1 
ATOM   3167 C CA  . THR D 1 57  ? -1.007  1.186   -3.080  1.00 14.92 ? 71  THR D CA  1 
ATOM   3168 C C   . THR D 1 57  ? -0.237  0.449   -1.986  1.00 14.00 ? 71  THR D C   1 
ATOM   3169 O O   . THR D 1 57  ? 0.996   0.438   -1.990  1.00 13.98 ? 71  THR D O   1 
ATOM   3170 C CB  . THR D 1 57  ? -0.590  0.653   -4.449  1.00 15.75 ? 71  THR D CB  1 
ATOM   3171 O OG1 . THR D 1 57  ? -1.339  1.314   -5.473  1.00 16.74 ? 71  THR D OG1 1 
ATOM   3172 C CG2 . THR D 1 57  ? -0.833  -0.839  -4.541  1.00 16.20 ? 71  THR D CG2 1 
ATOM   3173 N N   . ALA D 1 58  ? -0.961  -0.189  -1.067  1.00 13.06 ? 72  ALA D N   1 
ATOM   3174 C CA  . ALA D 1 58  ? -0.308  -0.867  0.047   1.00 12.81 ? 72  ALA D CA  1 
ATOM   3175 C C   . ALA D 1 58  ? 0.388   -2.148  -0.414  1.00 12.49 ? 72  ALA D C   1 
ATOM   3176 O O   . ALA D 1 58  ? -0.099  -2.855  -1.304  1.00 13.80 ? 72  ALA D O   1 
ATOM   3177 C CB  . ALA D 1 58  ? -1.337  -1.184  1.128   1.00 13.23 ? 72  ALA D CB  1 
ATOM   3178 N N   . LEU D 1 59  ? 1.531   -2.455  0.208   1.00 12.42 ? 73  LEU D N   1 
ATOM   3179 C CA  . LEU D 1 59  ? 2.336   -3.611  -0.178  1.00 12.94 ? 73  LEU D CA  1 
ATOM   3180 C C   . LEU D 1 59  ? 3.275   -3.979  0.967   1.00 11.98 ? 73  LEU D C   1 
ATOM   3181 O O   . LEU D 1 59  ? 3.474   -3.209  1.915   1.00 14.18 ? 73  LEU D O   1 
ATOM   3182 C CB  . LEU D 1 59  ? 3.131   -3.340  -1.467  1.00 16.00 ? 73  LEU D CB  1 
ATOM   3183 C CG  . LEU D 1 59  ? 3.983   -2.068  -1.550  1.00 19.55 ? 73  LEU D CG  1 
ATOM   3184 C CD1 . LEU D 1 59  ? 5.205   -2.047  -0.646  1.00 22.49 ? 73  LEU D CD1 1 
ATOM   3185 C CD2 . LEU D 1 59  ? 4.414   -1.898  -2.991  1.00 20.84 ? 73  LEU D CD2 1 
ATOM   3186 N N   . GLY D 1 60  ? 3.876   -5.162  0.847   1.00 11.95 ? 74  GLY D N   1 
ATOM   3187 C CA  . GLY D 1 60  ? 4.939   -5.576  1.743   1.00 10.67 ? 74  GLY D CA  1 
ATOM   3188 C C   . GLY D 1 60  ? 5.698   -6.739  1.144   1.00 10.73 ? 74  GLY D C   1 
ATOM   3189 O O   . GLY D 1 60  ? 5.190   -7.447  0.264   1.00 11.61 ? 74  GLY D O   1 
ATOM   3190 N N   . TRP D 1 61  ? 6.924   -6.940  1.626   1.00 11.38 ? 75  TRP D N   1 
ATOM   3191 C CA  . TRP D 1 61  ? 7.708   -8.082  1.160   1.00 11.50 ? 75  TRP D CA  1 
ATOM   3192 C C   . TRP D 1 61  ? 8.746   -8.465  2.206   1.00 11.43 ? 75  TRP D C   1 
ATOM   3193 O O   . TRP D 1 61  ? 9.052   -7.690  3.118   1.00 12.65 ? 75  TRP D O   1 
ATOM   3194 C CB  . TRP D 1 61  ? 8.355   -7.828  -0.213  1.00 12.72 ? 75  TRP D CB  1 
ATOM   3195 C CG  . TRP D 1 61  ? 9.469   -6.826  -0.215  1.00 13.39 ? 75  TRP D CG  1 
ATOM   3196 C CD1 . TRP D 1 61  ? 10.795  -7.073  -0.012  1.00 14.87 ? 75  TRP D CD1 1 
ATOM   3197 C CD2 . TRP D 1 61  ? 9.359   -5.418  -0.480  1.00 13.05 ? 75  TRP D CD2 1 
ATOM   3198 N NE1 . TRP D 1 61  ? 11.521  -5.906  -0.126  1.00 14.73 ? 75  TRP D NE1 1 
ATOM   3199 C CE2 . TRP D 1 61  ? 10.662  -4.876  -0.409  1.00 13.42 ? 75  TRP D CE2 1 
ATOM   3200 C CE3 . TRP D 1 61  ? 8.287   -4.565  -0.757  1.00 13.79 ? 75  TRP D CE3 1 
ATOM   3201 C CZ2 . TRP D 1 61  ? 10.918  -3.514  -0.589  1.00 13.87 ? 75  TRP D CZ2 1 
ATOM   3202 C CZ3 . TRP D 1 61  ? 8.547   -3.212  -0.945  1.00 14.96 ? 75  TRP D CZ3 1 
ATOM   3203 C CH2 . TRP D 1 61  ? 9.852   -2.704  -0.857  1.00 14.63 ? 75  TRP D CH2 1 
ATOM   3204 N N   . THR D 1 62  ? 9.286   -9.679  2.056   1.00 11.44 ? 76  THR D N   1 
ATOM   3205 C CA  . THR D 1 62  ? 10.277  -10.238 2.967   1.00 11.39 ? 76  THR D CA  1 
ATOM   3206 C C   . THR D 1 62  ? 11.504  -10.701 2.188   1.00 11.92 ? 76  THR D C   1 
ATOM   3207 O O   . THR D 1 62  ? 11.381  -11.243 1.078   1.00 13.85 ? 76  THR D O   1 
ATOM   3208 C CB  . THR D 1 62  ? 9.696   -11.459 3.711   1.00 11.78 ? 76  THR D CB  1 
ATOM   3209 O OG1 . THR D 1 62  ? 8.501   -11.081 4.406   1.00 12.03 ? 76  THR D OG1 1 
ATOM   3210 C CG2 . THR D 1 62  ? 10.703  -12.040 4.691   1.00 12.35 ? 76  THR D CG2 1 
ATOM   3211 N N   . VAL D 1 63  ? 12.683  -10.502 2.781   1.00 12.73 ? 77  VAL D N   1 
ATOM   3212 C CA  . VAL D 1 63  ? 13.932  -11.137 2.365   1.00 13.60 ? 77  VAL D CA  1 
ATOM   3213 C C   . VAL D 1 63  ? 14.525  -11.837 3.583   1.00 13.44 ? 77  VAL D C   1 
ATOM   3214 O O   . VAL D 1 63  ? 14.768  -11.190 4.608   1.00 14.91 ? 77  VAL D O   1 
ATOM   3215 C CB  . VAL D 1 63  ? 14.941  -10.110 1.823   1.00 15.55 ? 77  VAL D CB  1 
ATOM   3216 C CG1 . VAL D 1 63  ? 16.300  -10.764 1.592   1.00 17.23 ? 77  VAL D CG1 1 
ATOM   3217 C CG2 . VAL D 1 63  ? 14.416  -9.434  0.559   1.00 14.25 ? 77  VAL D CG2 1 
ATOM   3218 N N   . ALA D 1 64  ? 14.751  -13.145 3.483   1.00 14.00 ? 78  ALA D N   1 
ATOM   3219 C CA  . ALA D 1 64  ? 15.581  -13.844 4.453   1.00 15.21 ? 78  ALA D CA  1 
ATOM   3220 C C   . ALA D 1 64  ? 17.018  -13.816 3.954   1.00 15.98 ? 78  ALA D C   1 
ATOM   3221 O O   . ALA D 1 64  ? 17.280  -14.136 2.791   1.00 16.78 ? 78  ALA D O   1 
ATOM   3222 C CB  . ALA D 1 64  ? 15.107  -15.282 4.665   1.00 16.05 ? 78  ALA D CB  1 
ATOM   3223 N N   . TRP D 1 65  ? 17.946  -13.430 4.825   1.00 15.45 ? 79  TRP D N   1 
ATOM   3224 C CA  . TRP D 1 65  ? 19.312  -13.142 4.406   1.00 15.26 ? 79  TRP D CA  1 
ATOM   3225 C C   . TRP D 1 65  ? 20.162  -14.404 4.306   1.00 15.79 ? 79  TRP D C   1 
ATOM   3226 O O   . TRP D 1 65  ? 21.265  -14.475 4.856   1.00 16.85 ? 79  TRP D O   1 
ATOM   3227 C CB  . TRP D 1 65  ? 19.930  -12.061 5.303   1.00 15.17 ? 79  TRP D CB  1 
ATOM   3228 C CG  . TRP D 1 65  ? 19.139  -10.789 5.247   1.00 15.59 ? 79  TRP D CG  1 
ATOM   3229 C CD1 . TRP D 1 65  ? 18.322  -10.277 6.223   1.00 15.24 ? 79  TRP D CD1 1 
ATOM   3230 C CD2 . TRP D 1 65  ? 19.047  -9.884  4.135   1.00 15.98 ? 79  TRP D CD2 1 
ATOM   3231 N NE1 . TRP D 1 65  ? 17.750  -9.103  5.791   1.00 14.96 ? 79  TRP D NE1 1 
ATOM   3232 C CE2 . TRP D 1 65  ? 18.168  -8.850  4.509   1.00 15.60 ? 79  TRP D CE2 1 
ATOM   3233 C CE3 . TRP D 1 65  ? 19.619  -9.854  2.857   1.00 16.00 ? 79  TRP D CE3 1 
ATOM   3234 C CZ2 . TRP D 1 65  ? 17.866  -7.785  3.656   1.00 15.33 ? 79  TRP D CZ2 1 
ATOM   3235 C CZ3 . TRP D 1 65  ? 19.315  -8.802  2.022   1.00 15.70 ? 79  TRP D CZ3 1 
ATOM   3236 C CH2 . TRP D 1 65  ? 18.445  -7.785  2.418   1.00 16.17 ? 79  TRP D CH2 1 
ATOM   3237 N N   . LYS D 1 66  ? 19.646  -15.401 3.587   1.00 16.23 ? 80  LYS D N   1 
ATOM   3238 C CA  . LYS D 1 66  ? 20.382  -16.609 3.233   1.00 17.23 ? 80  LYS D CA  1 
ATOM   3239 C C   . LYS D 1 66  ? 20.367  -16.757 1.720   1.00 16.39 ? 80  LYS D C   1 
ATOM   3240 O O   . LYS D 1 66  ? 19.309  -16.624 1.094   1.00 16.27 ? 80  LYS D O   1 
ATOM   3241 C CB  . LYS D 1 66  ? 19.737  -17.851 3.863   1.00 18.88 ? 80  LYS D CB  1 
ATOM   3242 C CG  . LYS D 1 66  ? 20.305  -19.182 3.349   1.00 21.15 ? 80  LYS D CG  1 
ATOM   3243 C CD  . LYS D 1 66  ? 19.575  -20.390 3.940   1.00 23.33 ? 80  LYS D CD  1 
ATOM   3244 C CE  . LYS D 1 66  ? 20.093  -21.705 3.357   1.00 25.85 ? 80  LYS D CE  1 
ATOM   3245 N NZ  . LYS D 1 66  ? 19.706  -21.898 1.928   1.00 26.67 ? 80  LYS D NZ  1 
ATOM   3246 N N   . ASN D 1 67  ? 21.535  -17.014 1.136   1.00 16.63 ? 81  ASN D N   1 
ATOM   3247 C CA  . ASN D 1 67  ? 21.637  -17.403 -0.268  1.00 17.15 ? 81  ASN D CA  1 
ATOM   3248 C C   . ASN D 1 67  ? 22.618  -18.568 -0.359  1.00 17.81 ? 81  ASN D C   1 
ATOM   3249 O O   . ASN D 1 67  ? 23.010  -19.154 0.656   1.00 18.58 ? 81  ASN D O   1 
ATOM   3250 C CB  . ASN D 1 67  ? 21.936  -16.201 -1.181  1.00 17.27 ? 81  ASN D CB  1 
ATOM   3251 C CG  . ASN D 1 67  ? 23.274  -15.543 -0.881  1.00 17.36 ? 81  ASN D CG  1 
ATOM   3252 O OD1 . ASN D 1 67  ? 24.170  -16.151 -0.297  1.00 17.21 ? 81  ASN D OD1 1 
ATOM   3253 N ND2 . ASN D 1 67  ? 23.415  -14.284 -1.294  1.00 18.09 ? 81  ASN D ND2 1 
ATOM   3254 N N   . ASN D 1 68  ? 23.018  -18.917 -1.581  1.00 18.57 ? 82  ASN D N   1 
ATOM   3255 C CA  . ASN D 1 68  ? 23.936  -20.036 -1.751  1.00 21.35 ? 82  ASN D CA  1 
ATOM   3256 C C   . ASN D 1 68  ? 25.342  -19.744 -1.244  1.00 21.10 ? 82  ASN D C   1 
ATOM   3257 O O   . ASN D 1 68  ? 26.175  -20.657 -1.231  1.00 22.62 ? 82  ASN D O   1 
ATOM   3258 C CB  . ASN D 1 68  ? 23.985  -20.461 -3.219  1.00 24.63 ? 82  ASN D CB  1 
ATOM   3259 C CG  . ASN D 1 68  ? 22.704  -21.135 -3.671  1.00 29.44 ? 82  ASN D CG  1 
ATOM   3260 O OD1 . ASN D 1 68  ? 21.719  -21.191 -2.930  1.00 32.03 ? 82  ASN D OD1 1 
ATOM   3261 N ND2 . ASN D 1 68  ? 22.710  -21.649 -4.893  1.00 31.23 ? 82  ASN D ND2 1 
ATOM   3262 N N   . TYR D 1 69  ? 25.625  -18.514 -0.815  1.00 19.89 ? 83  TYR D N   1 
ATOM   3263 C CA  . TYR D 1 69  ? 26.979  -18.104 -0.481  1.00 20.43 ? 83  TYR D CA  1 
ATOM   3264 C C   . TYR D 1 69  ? 27.163  -17.666 0.962   1.00 20.82 ? 83  TYR D C   1 
ATOM   3265 O O   . TYR D 1 69  ? 28.295  -17.710 1.456   1.00 22.55 ? 83  TYR D O   1 
ATOM   3266 C CB  . TYR D 1 69  ? 27.437  -16.971 -1.416  1.00 19.87 ? 83  TYR D CB  1 
ATOM   3267 C CG  . TYR D 1 69  ? 27.186  -17.291 -2.870  1.00 20.61 ? 83  TYR D CG  1 
ATOM   3268 C CD1 . TYR D 1 69  ? 28.083  -18.062 -3.589  1.00 22.55 ? 83  TYR D CD1 1 
ATOM   3269 C CD2 . TYR D 1 69  ? 26.037  -16.847 -3.511  1.00 21.46 ? 83  TYR D CD2 1 
ATOM   3270 C CE1 . TYR D 1 69  ? 27.852  -18.372 -4.908  1.00 22.99 ? 83  TYR D CE1 1 
ATOM   3271 C CE2 . TYR D 1 69  ? 25.794  -17.153 -4.835  1.00 22.33 ? 83  TYR D CE2 1 
ATOM   3272 C CZ  . TYR D 1 69  ? 26.705  -17.915 -5.529  1.00 23.62 ? 83  TYR D CZ  1 
ATOM   3273 O OH  . TYR D 1 69  ? 26.473  -18.223 -6.851  1.00 25.65 ? 83  TYR D OH  1 
ATOM   3274 N N   . ARG D 1 70  ? 26.099  -17.262 1.652   1.00 19.67 ? 84  ARG D N   1 
ATOM   3275 C CA  . ARG D 1 70  ? 26.223  -16.761 3.013   1.00 20.18 ? 84  ARG D CA  1 
ATOM   3276 C C   . ARG D 1 70  ? 24.863  -16.869 3.692   1.00 19.01 ? 84  ARG D C   1 
ATOM   3277 O O   . ARG D 1 70  ? 23.833  -17.065 3.041   1.00 18.84 ? 84  ARG D O   1 
ATOM   3278 C CB  . ARG D 1 70  ? 26.764  -15.325 3.022   1.00 23.73 ? 84  ARG D CB  1 
ATOM   3279 C CG  . ARG D 1 70  ? 25.787  -14.293 2.495   1.00 26.21 ? 84  ARG D CG  1 
ATOM   3280 C CD  . ARG D 1 70  ? 26.435  -13.302 1.532   1.00 29.27 ? 84  ARG D CD  1 
ATOM   3281 N NE  . ARG D 1 70  ? 27.298  -12.318 2.177   1.00 29.35 ? 84  ARG D NE  1 
ATOM   3282 C CZ  . ARG D 1 70  ? 27.710  -11.194 1.601   1.00 29.67 ? 84  ARG D CZ  1 
ATOM   3283 N NH1 . ARG D 1 70  ? 27.338  -10.866 0.374   1.00 29.85 ? 84  ARG D NH1 1 
ATOM   3284 N NH2 . ARG D 1 70  ? 28.511  -10.374 2.274   1.00 29.81 ? 84  ARG D NH2 1 
ATOM   3285 N N   . ASN D 1 71  ? 24.874  -16.747 5.019   1.00 18.88 ? 85  ASN D N   1 
ATOM   3286 C CA  . ASN D 1 71  ? 23.639  -16.806 5.803   1.00 18.22 ? 85  ASN D CA  1 
ATOM   3287 C C   . ASN D 1 71  ? 23.836  -15.978 7.065   1.00 18.63 ? 85  ASN D C   1 
ATOM   3288 O O   . ASN D 1 71  ? 24.630  -16.356 7.932   1.00 20.60 ? 85  ASN D O   1 
ATOM   3289 C CB  . ASN D 1 71  ? 23.285  -18.251 6.156   1.00 17.42 ? 85  ASN D CB  1 
ATOM   3290 C CG  . ASN D 1 71  ? 21.881  -18.388 6.720   1.00 17.13 ? 85  ASN D CG  1 
ATOM   3291 O OD1 . ASN D 1 71  ? 21.225  -17.395 7.034   1.00 17.95 ? 85  ASN D OD1 1 
ATOM   3292 N ND2 . ASN D 1 71  ? 21.416  -19.626 6.859   1.00 17.64 ? 85  ASN D ND2 1 
ATOM   3293 N N   . ALA D 1 72  ? 23.106  -14.866 7.171   1.00 17.77 ? 86  ALA D N   1 
ATOM   3294 C CA  . ALA D 1 72  ? 23.144  -13.989 8.336   1.00 18.56 ? 86  ALA D CA  1 
ATOM   3295 C C   . ALA D 1 72  ? 22.146  -14.382 9.421   1.00 18.69 ? 86  ALA D C   1 
ATOM   3296 O O   . ALA D 1 72  ? 22.099  -13.718 10.464  1.00 20.30 ? 86  ALA D O   1 
ATOM   3297 C CB  . ALA D 1 72  ? 22.895  -12.538 7.909   1.00 19.21 ? 86  ALA D CB  1 
ATOM   3298 N N   . HIS D 1 73  ? 21.356  -15.435 9.206   1.00 18.27 ? 87  HIS D N   1 
ATOM   3299 C CA  . HIS D 1 73  ? 20.363  -15.906 10.175  1.00 17.18 ? 87  HIS D CA  1 
ATOM   3300 C C   . HIS D 1 73  ? 19.438  -14.773 10.621  1.00 16.87 ? 87  HIS D C   1 
ATOM   3301 O O   . HIS D 1 73  ? 19.298  -14.476 11.813  1.00 17.97 ? 87  HIS D O   1 
ATOM   3302 C CB  . HIS D 1 73  ? 21.022  -16.598 11.377  1.00 17.73 ? 87  HIS D CB  1 
ATOM   3303 C CG  . HIS D 1 73  ? 21.943  -17.716 11.001  1.00 18.15 ? 87  HIS D CG  1 
ATOM   3304 N ND1 . HIS D 1 73  ? 21.537  -18.786 10.231  1.00 18.64 ? 87  HIS D ND1 1 
ATOM   3305 C CD2 . HIS D 1 73  ? 23.248  -17.931 11.286  1.00 19.81 ? 87  HIS D CD2 1 
ATOM   3306 C CE1 . HIS D 1 73  ? 22.556  -19.608 10.053  1.00 20.07 ? 87  HIS D CE1 1 
ATOM   3307 N NE2 . HIS D 1 73  ? 23.605  -19.118 10.691  1.00 20.21 ? 87  HIS D NE2 1 
ATOM   3308 N N   . SER D 1 74  ? 18.807  -14.127 9.642   1.00 16.87 ? 88  SER D N   1 
ATOM   3309 C CA  . SER D 1 74  ? 17.977  -12.958 9.900   1.00 16.30 ? 88  SER D CA  1 
ATOM   3310 C C   . SER D 1 74  ? 17.074  -12.740 8.695   1.00 14.89 ? 88  SER D C   1 
ATOM   3311 O O   . SER D 1 74  ? 17.284  -13.319 7.627   1.00 15.73 ? 88  SER D O   1 
ATOM   3312 C CB  . SER D 1 74  ? 18.833  -11.723 10.181  1.00 17.46 ? 88  SER D CB  1 
ATOM   3313 O OG  . SER D 1 74  ? 19.613  -11.402 9.042   1.00 18.56 ? 88  SER D OG  1 
ATOM   3314 N N   . ALA D 1 75  ? 16.059  -11.899 8.878   1.00 15.44 ? 89  ALA D N   1 
ATOM   3315 C CA  . ALA D 1 75  ? 15.108  -11.606 7.814   1.00 15.53 ? 89  ALA D CA  1 
ATOM   3316 C C   . ALA D 1 75  ? 14.569  -10.198 8.000   1.00 14.06 ? 89  ALA D C   1 
ATOM   3317 O O   . ALA D 1 75  ? 14.344  -9.765  9.138   1.00 14.19 ? 89  ALA D O   1 
ATOM   3318 C CB  . ALA D 1 75  ? 13.937  -12.590 7.840   1.00 17.06 ? 89  ALA D CB  1 
ATOM   3319 N N   . THR D 1 76  ? 14.365  -9.489  6.889   1.00 13.59 ? 90  THR D N   1 
ATOM   3320 C CA  . THR D 1 76  ? 13.791  -8.149  6.890   1.00 12.60 ? 90  THR D CA  1 
ATOM   3321 C C   . THR D 1 76  ? 12.429  -8.174  6.210   1.00 11.94 ? 90  THR D C   1 
ATOM   3322 O O   . THR D 1 76  ? 12.269  -8.801  5.155   1.00 12.68 ? 90  THR D O   1 
ATOM   3323 C CB  . THR D 1 76  ? 14.705  -7.161  6.151   1.00 13.69 ? 90  THR D CB  1 
ATOM   3324 O OG1 . THR D 1 76  ? 15.987  -7.103  6.785   1.00 14.08 ? 90  THR D OG1 1 
ATOM   3325 C CG2 . THR D 1 76  ? 14.098  -5.764  6.084   1.00 14.56 ? 90  THR D CG2 1 
ATOM   3326 N N   . THR D 1 77  ? 11.445  -7.499  6.813   1.00 11.97 ? 91  THR D N   1 
ATOM   3327 C CA  . THR D 1 77  ? 10.180  -7.217  6.146   1.00 11.89 ? 91  THR D CA  1 
ATOM   3328 C C   . THR D 1 77  ? 10.052  -5.718  5.914   1.00 12.33 ? 91  THR D C   1 
ATOM   3329 O O   . THR D 1 77  ? 10.332  -4.921  6.812   1.00 13.67 ? 91  THR D O   1 
ATOM   3330 C CB  . THR D 1 77  ? 8.965   -7.712  6.945   1.00 12.49 ? 91  THR D CB  1 
ATOM   3331 O OG1 . THR D 1 77  ? 8.879   -7.022  8.207   1.00 14.06 ? 91  THR D OG1 1 
ATOM   3332 C CG2 . THR D 1 77  ? 9.051   -9.195  7.221   1.00 14.31 ? 91  THR D CG2 1 
ATOM   3333 N N   . TRP D 1 78  ? 9.623   -5.336  4.715   1.00 11.99 ? 92  TRP D N   1 
ATOM   3334 C CA  . TRP D 1 78  ? 9.320   -3.947  4.389   1.00 11.78 ? 92  TRP D CA  1 
ATOM   3335 C C   . TRP D 1 78  ? 7.812   -3.816  4.247   1.00 11.89 ? 92  TRP D C   1 
ATOM   3336 O O   . TRP D 1 78  ? 7.183   -4.631  3.564   1.00 12.46 ? 92  TRP D O   1 
ATOM   3337 C CB  . TRP D 1 78  ? 9.947   -3.545  3.054   1.00 12.13 ? 92  TRP D CB  1 
ATOM   3338 C CG  . TRP D 1 78  ? 11.440  -3.408  2.993   1.00 12.86 ? 92  TRP D CG  1 
ATOM   3339 C CD1 . TRP D 1 78  ? 12.156  -2.239  2.968   1.00 12.38 ? 92  TRP D CD1 1 
ATOM   3340 C CD2 . TRP D 1 78  ? 12.400  -4.465  2.855   1.00 11.79 ? 92  TRP D CD2 1 
ATOM   3341 N NE1 . TRP D 1 78  ? 13.497  -2.505  2.837   1.00 13.00 ? 92  TRP D NE1 1 
ATOM   3342 C CE2 . TRP D 1 78  ? 13.675  -3.864  2.754   1.00 12.24 ? 92  TRP D CE2 1 
ATOM   3343 C CE3 . TRP D 1 78  ? 12.306  -5.866  2.791   1.00 11.98 ? 92  TRP D CE3 1 
ATOM   3344 C CZ2 . TRP D 1 78  ? 14.850  -4.617  2.601   1.00 12.28 ? 92  TRP D CZ2 1 
ATOM   3345 C CZ3 . TRP D 1 78  ? 13.473  -6.607  2.637   1.00 13.39 ? 92  TRP D CZ3 1 
ATOM   3346 C CH2 . TRP D 1 78  ? 14.726  -5.979  2.542   1.00 13.46 ? 92  TRP D CH2 1 
ATOM   3347 N N   . SER D 1 79  ? 7.243   -2.784  4.868   1.00 12.52 ? 93  SER D N   1 
ATOM   3348 C CA  . SER D 1 79  ? 5.816   -2.497  4.802   1.00 13.08 ? 93  SER D CA  1 
ATOM   3349 C C   . SER D 1 79  ? 5.656   -1.060  4.327   1.00 12.60 ? 93  SER D C   1 
ATOM   3350 O O   . SER D 1 79  ? 6.294   -0.154  4.873   1.00 13.75 ? 93  SER D O   1 
ATOM   3351 C CB  . SER D 1 79  ? 5.195   -2.682  6.200   1.00 13.69 ? 93  SER D CB  1 
ATOM   3352 O OG  . SER D 1 79  ? 3.811   -2.380  6.215   1.00 15.36 ? 93  SER D OG  1 
ATOM   3353 N N   . GLY D 1 80  ? 4.835   -0.835  3.310   1.00 12.31 ? 94  GLY D N   1 
ATOM   3354 C CA  . GLY D 1 80  ? 4.729   0.522   2.801   1.00 13.09 ? 94  GLY D CA  1 
ATOM   3355 C C   . GLY D 1 80  ? 3.677   0.696   1.736   1.00 13.10 ? 94  GLY D C   1 
ATOM   3356 O O   . GLY D 1 80  ? 2.708   -0.060  1.656   1.00 12.94 ? 94  GLY D O   1 
ATOM   3357 N N   . GLN D 1 81  ? 3.865   1.739   0.930   1.00 12.50 ? 95  GLN D N   1 
ATOM   3358 C CA  . GLN D 1 81  ? 2.945   2.014   -0.158  1.00 13.81 ? 95  GLN D CA  1 
ATOM   3359 C C   . GLN D 1 81  ? 3.691   2.526   -1.381  1.00 14.81 ? 95  GLN D C   1 
ATOM   3360 O O   . GLN D 1 81  ? 4.708   3.222   -1.275  1.00 15.17 ? 95  GLN D O   1 
ATOM   3361 C CB  . GLN D 1 81  ? 1.788   2.948   0.232   1.00 16.95 ? 95  GLN D CB  1 
ATOM   3362 C CG  . GLN D 1 81  ? 2.161   4.283   0.830   1.00 18.15 ? 95  GLN D CG  1 
ATOM   3363 C CD  . GLN D 1 81  ? 0.931   5.036   1.337   1.00 17.26 ? 95  GLN D CD  1 
ATOM   3364 O OE1 . GLN D 1 81  ? -0.102  5.087   0.662   1.00 15.88 ? 95  GLN D OE1 1 
ATOM   3365 N NE2 . GLN D 1 81  ? 1.031   5.607   2.536   1.00 17.92 ? 95  GLN D NE2 1 
ATOM   3366 N N   . TYR D 1 82  ? 3.176   2.140   -2.544  1.00 14.97 ? 96  TYR D N   1 
ATOM   3367 C CA  . TYR D 1 82  ? 3.658   2.621   -3.828  1.00 16.31 ? 96  TYR D CA  1 
ATOM   3368 C C   . TYR D 1 82  ? 2.862   3.855   -4.226  1.00 17.50 ? 96  TYR D C   1 
ATOM   3369 O O   . TYR D 1 82  ? 1.635   3.888   -4.093  1.00 17.65 ? 96  TYR D O   1 
ATOM   3370 C CB  . TYR D 1 82  ? 3.485   1.524   -4.882  1.00 16.73 ? 96  TYR D CB  1 
ATOM   3371 C CG  . TYR D 1 82  ? 3.440   2.033   -6.309  1.00 18.11 ? 96  TYR D CG  1 
ATOM   3372 C CD1 . TYR D 1 82  ? 4.608   2.263   -7.022  1.00 18.90 ? 96  TYR D CD1 1 
ATOM   3373 C CD2 . TYR D 1 82  ? 2.227   2.289   -6.940  1.00 19.17 ? 96  TYR D CD2 1 
ATOM   3374 C CE1 . TYR D 1 82  ? 4.571   2.737   -8.331  1.00 20.20 ? 96  TYR D CE1 1 
ATOM   3375 C CE2 . TYR D 1 82  ? 2.180   2.758   -8.244  1.00 20.97 ? 96  TYR D CE2 1 
ATOM   3376 C CZ  . TYR D 1 82  ? 3.354   2.980   -8.929  1.00 20.75 ? 96  TYR D CZ  1 
ATOM   3377 O OH  . TYR D 1 82  ? 3.306   3.446   -10.227 1.00 23.92 ? 96  TYR D OH  1 
ATOM   3378 N N   . VAL D 1 83  ? 3.571   4.875   -4.703  1.00 18.78 ? 97  VAL D N   1 
ATOM   3379 C CA  . VAL D 1 83  ? 2.966   6.108   -5.193  1.00 21.64 ? 97  VAL D CA  1 
ATOM   3380 C C   . VAL D 1 83  ? 3.473   6.340   -6.610  1.00 22.65 ? 97  VAL D C   1 
ATOM   3381 O O   . VAL D 1 83  ? 4.679   6.511   -6.817  1.00 22.53 ? 97  VAL D O   1 
ATOM   3382 C CB  . VAL D 1 83  ? 3.308   7.303   -4.287  1.00 23.49 ? 97  VAL D CB  1 
ATOM   3383 C CG1 . VAL D 1 83  ? 2.711   8.582   -4.851  1.00 24.86 ? 97  VAL D CG1 1 
ATOM   3384 C CG2 . VAL D 1 83  ? 2.818   7.048   -2.861  1.00 24.13 ? 97  VAL D CG2 1 
ATOM   3385 N N   . GLY D 1 84  ? 2.563   6.339   -7.581  1.00 25.19 ? 98  GLY D N   1 
ATOM   3386 C CA  . GLY D 1 84  ? 2.940   6.437   -8.975  1.00 26.95 ? 98  GLY D CA  1 
ATOM   3387 C C   . GLY D 1 84  ? 3.218   7.860   -9.431  1.00 29.06 ? 98  GLY D C   1 
ATOM   3388 O O   . GLY D 1 84  ? 3.278   8.809   -8.647  1.00 31.38 ? 98  GLY D O   1 
ATOM   3389 N N   . GLY D 1 85  ? 3.394   7.996   -10.739 1.00 29.91 ? 99  GLY D N   1 
ATOM   3390 C CA  . GLY D 1 85  ? 3.648   9.279   -11.364 1.00 28.98 ? 99  GLY D CA  1 
ATOM   3391 C C   . GLY D 1 85  ? 5.046   9.349   -11.956 1.00 28.33 ? 99  GLY D C   1 
ATOM   3392 O O   . GLY D 1 85  ? 5.803   8.376   -11.977 1.00 28.41 ? 99  GLY D O   1 
ATOM   3393 N N   . ALA D 1 86  ? 5.371   10.547  -12.452 1.00 26.66 ? 100 ALA D N   1 
ATOM   3394 C CA  . ALA D 1 86  ? 6.679   10.764  -13.058 1.00 26.28 ? 100 ALA D CA  1 
ATOM   3395 C C   . ALA D 1 86  ? 7.800   10.600  -12.043 1.00 27.01 ? 100 ALA D C   1 
ATOM   3396 O O   . ALA D 1 86  ? 8.926   10.251  -12.412 1.00 29.16 ? 100 ALA D O   1 
ATOM   3397 C CB  . ALA D 1 86  ? 6.737   12.152  -13.694 1.00 26.47 ? 100 ALA D CB  1 
ATOM   3398 N N   . GLU D 1 87  ? 7.513   10.847  -10.765 1.00 26.75 ? 101 GLU D N   1 
ATOM   3399 C CA  . GLU D 1 87  ? 8.500   10.683  -9.710  1.00 27.39 ? 101 GLU D CA  1 
ATOM   3400 C C   . GLU D 1 87  ? 8.022   9.578   -8.774  1.00 25.15 ? 101 GLU D C   1 
ATOM   3401 O O   . GLU D 1 87  ? 7.805   9.807   -7.577  1.00 26.48 ? 101 GLU D O   1 
ATOM   3402 C CB  . GLU D 1 87  ? 8.691   12.003  -8.955  1.00 29.88 ? 101 GLU D CB  1 
ATOM   3403 C CG  . GLU D 1 87  ? 8.844   13.228  -9.853  1.00 31.66 ? 101 GLU D CG  1 
ATOM   3404 C CD  . GLU D 1 87  ? 10.079  13.164  -10.730 0.56 32.69 ? 101 GLU D CD  1 
ATOM   3405 O OE1 . GLU D 1 87  ? 11.056  12.492  -10.337 0.47 33.54 ? 101 GLU D OE1 1 
ATOM   3406 O OE2 . GLU D 1 87  ? 10.073  13.784  -11.814 0.53 33.07 ? 101 GLU D OE2 1 
ATOM   3407 N N   . ALA D 1 88  ? 7.845   8.378   -9.324  1.00 22.94 ? 102 ALA D N   1 
ATOM   3408 C CA  . ALA D 1 88  ? 7.264   7.272   -8.575  1.00 20.75 ? 102 ALA D CA  1 
ATOM   3409 C C   . ALA D 1 88  ? 8.152   6.887   -7.398  1.00 18.95 ? 102 ALA D C   1 
ATOM   3410 O O   . ALA D 1 88  ? 9.379   6.998   -7.453  1.00 19.20 ? 102 ALA D O   1 
ATOM   3411 C CB  . ALA D 1 88  ? 7.070   6.066   -9.492  1.00 21.53 ? 102 ALA D CB  1 
ATOM   3412 N N   . ARG D 1 89  ? 7.514   6.424   -6.323  1.00 16.65 ? 103 ARG D N   1 
ATOM   3413 C CA  . ARG D 1 89  ? 8.208   6.083   -5.088  1.00 16.47 ? 103 ARG D CA  1 
ATOM   3414 C C   . ARG D 1 89  ? 7.550   4.872   -4.446  1.00 16.89 ? 103 ARG D C   1 
ATOM   3415 O O   . ARG D 1 89  ? 6.339   4.674   -4.555  1.00 19.62 ? 103 ARG D O   1 
ATOM   3416 C CB  . ARG D 1 89  ? 8.087   7.201   -4.037  1.00 19.52 ? 103 ARG D CB  1 
ATOM   3417 C CG  . ARG D 1 89  ? 8.747   8.508   -4.390  0.79 21.76 ? 103 ARG D CG  1 
ATOM   3418 C CD  . ARG D 1 89  ? 10.252  8.422   -4.269  0.88 23.96 ? 103 ARG D CD  1 
ATOM   3419 N NE  . ARG D 1 89  ? 10.896  9.707   -4.523  1.00 26.74 ? 103 ARG D NE  1 
ATOM   3420 C CZ  . ARG D 1 89  ? 11.138  10.199  -5.731  0.57 27.04 ? 103 ARG D CZ  1 
ATOM   3421 N NH1 . ARG D 1 89  ? 10.785  9.546   -6.827  0.87 26.90 ? 103 ARG D NH1 1 
ATOM   3422 N NH2 . ARG D 1 89  ? 11.751  11.376  -5.845  0.82 28.41 ? 103 ARG D NH2 1 
ATOM   3423 N N   . ILE D 1 90  ? 8.356   4.075   -3.751  1.00 15.20 ? 104 ILE D N   1 
ATOM   3424 C CA  . ILE D 1 90  ? 7.849   3.126   -2.764  1.00 14.67 ? 104 ILE D CA  1 
ATOM   3425 C C   . ILE D 1 90  ? 8.411   3.546   -1.413  1.00 14.95 ? 104 ILE D C   1 
ATOM   3426 O O   . ILE D 1 90  ? 9.633   3.542   -1.214  1.00 15.43 ? 104 ILE D O   1 
ATOM   3427 C CB  . ILE D 1 90  ? 8.208   1.669   -3.098  1.00 14.40 ? 104 ILE D CB  1 
ATOM   3428 C CG1 . ILE D 1 90  ? 7.660   1.280   -4.477  1.00 15.59 ? 104 ILE D CG1 1 
ATOM   3429 C CG2 . ILE D 1 90  ? 7.655   0.739   -2.002  1.00 16.05 ? 104 ILE D CG2 1 
ATOM   3430 C CD1 . ILE D 1 90  ? 8.096   -0.084  -4.973  1.00 17.29 ? 104 ILE D CD1 1 
ATOM   3431 N N   . ASN D 1 91  ? 7.523   3.937   -0.503  1.00 14.12 ? 105 ASN D N   1 
ATOM   3432 C CA  . ASN D 1 91  ? 7.893   4.486   0.796   1.00 14.82 ? 105 ASN D CA  1 
ATOM   3433 C C   . ASN D 1 91  ? 7.615   3.421   1.843   1.00 13.50 ? 105 ASN D C   1 
ATOM   3434 O O   . ASN D 1 91  ? 6.473   2.977   1.973   1.00 14.61 ? 105 ASN D O   1 
ATOM   3435 C CB  . ASN D 1 91  ? 7.055   5.731   1.086   1.00 17.44 ? 105 ASN D CB  1 
ATOM   3436 C CG  . ASN D 1 91  ? 7.243   6.808   0.037   1.00 20.50 ? 105 ASN D CG  1 
ATOM   3437 O OD1 . ASN D 1 91  ? 8.364   7.095   -0.367  1.00 21.58 ? 105 ASN D OD1 1 
ATOM   3438 N ND2 . ASN D 1 91  ? 6.142   7.406   -0.406  1.00 22.26 ? 105 ASN D ND2 1 
ATOM   3439 N N   . THR D 1 92  ? 8.648   3.015   2.582   1.00 12.79 ? 106 THR D N   1 
ATOM   3440 C CA  . THR D 1 92  ? 8.523   1.861   3.464   1.00 12.55 ? 106 THR D CA  1 
ATOM   3441 C C   . THR D 1 92  ? 9.108   2.122   4.846   1.00 12.60 ? 106 THR D C   1 
ATOM   3442 O O   . THR D 1 92  ? 9.967   2.982   5.047   1.00 13.77 ? 106 THR D O   1 
ATOM   3443 C CB  . THR D 1 92  ? 9.251   0.623   2.907   1.00 13.32 ? 106 THR D CB  1 
ATOM   3444 O OG1 . THR D 1 92  ? 10.668  0.825   3.010   1.00 13.78 ? 106 THR D OG1 1 
ATOM   3445 C CG2 . THR D 1 92  ? 8.851   0.332   1.446   1.00 13.29 ? 106 THR D CG2 1 
ATOM   3446 N N   . GLN D 1 93  ? 8.635   1.317   5.792   1.00 11.26 ? 107 GLN D N   1 
ATOM   3447 C CA  . GLN D 1 93  ? 9.303   1.074   7.060   1.00 12.11 ? 107 GLN D CA  1 
ATOM   3448 C C   . GLN D 1 93  ? 9.598   -0.419  7.139   1.00 12.06 ? 107 GLN D C   1 
ATOM   3449 O O   . GLN D 1 93  ? 8.898   -1.236  6.525   1.00 13.32 ? 107 GLN D O   1 
ATOM   3450 C CB  . GLN D 1 93  ? 8.444   1.577   8.228   1.00 14.04 ? 107 GLN D CB  1 
ATOM   3451 C CG  . GLN D 1 93  ? 8.184   3.075   8.105   1.00 15.87 ? 107 GLN D CG  1 
ATOM   3452 C CD  . GLN D 1 93  ? 7.449   3.650   9.300   1.00 16.75 ? 107 GLN D CD  1 
ATOM   3453 O OE1 . GLN D 1 93  ? 8.053   3.954   10.328  1.00 18.85 ? 107 GLN D OE1 1 
ATOM   3454 N NE2 . GLN D 1 93  ? 6.140   3.797   9.174   1.00 16.07 ? 107 GLN D NE2 1 
ATOM   3455 N N   . TRP D 1 94  ? 10.665  -0.779  7.855   1.00 12.29 ? 108 TRP D N   1 
ATOM   3456 C CA  . TRP D 1 94  ? 11.120  -2.163  7.854   1.00 11.80 ? 108 TRP D CA  1 
ATOM   3457 C C   . TRP D 1 94  ? 11.462  -2.636  9.263   1.00 11.30 ? 108 TRP D C   1 
ATOM   3458 O O   . TRP D 1 94  ? 11.777  -1.840  10.156  1.00 11.84 ? 108 TRP D O   1 
ATOM   3459 C CB  . TRP D 1 94  ? 12.289  -2.412  6.878   1.00 13.16 ? 108 TRP D CB  1 
ATOM   3460 C CG  . TRP D 1 94  ? 13.487  -1.523  7.019   1.00 13.28 ? 108 TRP D CG  1 
ATOM   3461 C CD1 . TRP D 1 94  ? 13.829  -0.472  6.196   1.00 14.18 ? 108 TRP D CD1 1 
ATOM   3462 C CD2 . TRP D 1 94  ? 14.531  -1.611  8.003   1.00 12.57 ? 108 TRP D CD2 1 
ATOM   3463 N NE1 . TRP D 1 94  ? 15.008  0.098   6.623   1.00 14.87 ? 108 TRP D NE1 1 
ATOM   3464 C CE2 . TRP D 1 94  ? 15.458  -0.580  7.729   1.00 13.62 ? 108 TRP D CE2 1 
ATOM   3465 C CE3 . TRP D 1 94  ? 14.780  -2.471  9.077   1.00 12.72 ? 108 TRP D CE3 1 
ATOM   3466 C CZ2 . TRP D 1 94  ? 16.609  -0.381  8.500   1.00 14.03 ? 108 TRP D CZ2 1 
ATOM   3467 C CZ3 . TRP D 1 94  ? 15.917  -2.264  9.853   1.00 14.17 ? 108 TRP D CZ3 1 
ATOM   3468 C CH2 . TRP D 1 94  ? 16.814  -1.225  9.560   1.00 14.43 ? 108 TRP D CH2 1 
ATOM   3469 N N   . LEU D 1 95  ? 11.383  -3.960  9.438   1.00 12.45 ? 109 LEU D N   1 
ATOM   3470 C CA  . LEU D 1 95  ? 11.782  -4.667  10.652  1.00 12.75 ? 109 LEU D CA  1 
ATOM   3471 C C   . LEU D 1 95  ? 12.758  -5.765  10.267  1.00 13.33 ? 109 LEU D C   1 
ATOM   3472 O O   . LEU D 1 95  ? 12.479  -6.554  9.357   1.00 15.66 ? 109 LEU D O   1 
ATOM   3473 C CB  . LEU D 1 95  ? 10.579  -5.313  11.345  1.00 13.41 ? 109 LEU D CB  1 
ATOM   3474 C CG  . LEU D 1 95  ? 9.464   -4.395  11.833  1.00 13.54 ? 109 LEU D CG  1 
ATOM   3475 C CD1 . LEU D 1 95  ? 8.234   -5.207  12.217  1.00 15.15 ? 109 LEU D CD1 1 
ATOM   3476 C CD2 . LEU D 1 95  ? 9.932   -3.535  13.005  1.00 14.82 ? 109 LEU D CD2 1 
ATOM   3477 N N   . LEU D 1 96  ? 13.902  -5.807  10.941  1.00 13.45 ? 110 LEU D N   1 
ATOM   3478 C CA  . LEU D 1 96  ? 14.945  -6.794  10.675  1.00 13.47 ? 110 LEU D CA  1 
ATOM   3479 C C   . LEU D 1 96  ? 15.124  -7.634  11.934  1.00 13.53 ? 110 LEU D C   1 
ATOM   3480 O O   . LEU D 1 96  ? 15.669  -7.148  12.930  1.00 13.80 ? 110 LEU D O   1 
ATOM   3481 C CB  . LEU D 1 96  ? 16.244  -6.090  10.276  1.00 15.13 ? 110 LEU D CB  1 
ATOM   3482 C CG  . LEU D 1 96  ? 17.586  -6.823  10.283  1.00 17.08 ? 110 LEU D CG  1 
ATOM   3483 C CD1 . LEU D 1 96  ? 17.504  -8.169  9.585   1.00 17.24 ? 110 LEU D CD1 1 
ATOM   3484 C CD2 . LEU D 1 96  ? 18.668  -5.961  9.641   1.00 17.57 ? 110 LEU D CD2 1 
ATOM   3485 N N   . THR D 1 97  ? 14.644  -8.877  11.905  1.00 13.59 ? 111 THR D N   1 
ATOM   3486 C CA  . THR D 1 97  ? 14.724  -9.767  13.062  1.00 13.58 ? 111 THR D CA  1 
ATOM   3487 C C   . THR D 1 97  ? 15.825  -10.799 12.855  1.00 14.16 ? 111 THR D C   1 
ATOM   3488 O O   . THR D 1 97  ? 15.864  -11.465 11.817  1.00 15.40 ? 111 THR D O   1 
ATOM   3489 C CB  . THR D 1 97  ? 13.396  -10.487 13.331  1.00 15.56 ? 111 THR D CB  1 
ATOM   3490 O OG1 . THR D 1 97  ? 12.340  -9.535  13.511  1.00 15.52 ? 111 THR D OG1 1 
ATOM   3491 C CG2 . THR D 1 97  ? 13.499  -11.346 14.609  1.00 17.26 ? 111 THR D CG2 1 
ATOM   3492 N N   . SER D 1 98  ? 16.707  -10.935 13.842  1.00 15.25 ? 112 SER D N   1 
ATOM   3493 C CA  . SER D 1 98  ? 17.730  -11.968 13.849  1.00 16.86 ? 112 SER D CA  1 
ATOM   3494 C C   . SER D 1 98  ? 17.289  -13.142 14.716  1.00 16.99 ? 112 SER D C   1 
ATOM   3495 O O   . SER D 1 98  ? 16.609  -12.967 15.730  1.00 17.72 ? 112 SER D O   1 
ATOM   3496 C CB  . SER D 1 98  ? 19.054  -11.418 14.390  1.00 17.76 ? 112 SER D CB  1 
ATOM   3497 O OG  . SER D 1 98  ? 19.560  -10.372 13.580  0.72 17.70 ? 112 SER D OG  1 
ATOM   3498 N N   . GLY D 1 99  ? 17.678  -14.346 14.309  1.00 17.18 ? 113 GLY D N   1 
ATOM   3499 C CA  . GLY D 1 99  ? 17.521  -15.493 15.192  1.00 18.06 ? 113 GLY D CA  1 
ATOM   3500 C C   . GLY D 1 99  ? 18.425  -15.343 16.410  1.00 19.85 ? 113 GLY D C   1 
ATOM   3501 O O   . GLY D 1 99  ? 19.629  -15.090 16.277  1.00 22.22 ? 113 GLY D O   1 
ATOM   3502 N N   . THR D 1 100 ? 17.846  -15.468 17.608  1.00 19.39 ? 114 THR D N   1 
ATOM   3503 C CA  . THR D 1 100 ? 18.594  -15.296 18.850  1.00 19.68 ? 114 THR D CA  1 
ATOM   3504 C C   . THR D 1 100 ? 18.186  -16.375 19.844  1.00 20.02 ? 114 THR D C   1 
ATOM   3505 O O   . THR D 1 100 ? 17.171  -17.056 19.680  1.00 20.34 ? 114 THR D O   1 
ATOM   3506 C CB  . THR D 1 100 ? 18.325  -13.936 19.524  1.00 18.99 ? 114 THR D CB  1 
ATOM   3507 O OG1 . THR D 1 100 ? 16.986  -13.912 20.029  1.00 19.30 ? 114 THR D OG1 1 
ATOM   3508 C CG2 . THR D 1 100 ? 18.527  -12.768 18.565  1.00 19.83 ? 114 THR D CG2 1 
ATOM   3509 N N   . THR D 1 101 ? 18.976  -16.507 20.907  1.00 21.67 ? 115 THR D N   1 
ATOM   3510 C CA  . THR D 1 101 ? 18.501  -17.252 22.062  1.00 22.10 ? 115 THR D CA  1 
ATOM   3511 C C   . THR D 1 101 ? 17.431  -16.438 22.785  1.00 22.23 ? 115 THR D C   1 
ATOM   3512 O O   . THR D 1 101 ? 17.254  -15.240 22.545  1.00 20.98 ? 115 THR D O   1 
ATOM   3513 C CB  . THR D 1 101 ? 19.645  -17.536 23.034  1.00 23.79 ? 115 THR D CB  1 
ATOM   3514 O OG1 . THR D 1 101 ? 20.171  -16.294 23.517  1.00 25.21 ? 115 THR D OG1 1 
ATOM   3515 C CG2 . THR D 1 101 ? 20.748  -18.340 22.353  1.00 24.27 ? 115 THR D CG2 1 
ATOM   3516 N N   . GLU D 1 102 ? 16.702  -17.104 23.682  1.00 23.82 ? 116 GLU D N   1 
ATOM   3517 C CA  . GLU D 1 102 ? 15.650  -16.407 24.415  1.00 24.23 ? 116 GLU D CA  1 
ATOM   3518 C C   . GLU D 1 102 ? 16.219  -15.278 25.265  1.00 22.57 ? 116 GLU D C   1 
ATOM   3519 O O   . GLU D 1 102 ? 15.609  -14.209 25.372  1.00 21.59 ? 116 GLU D O   1 
ATOM   3520 C CB  . GLU D 1 102 ? 14.832  -17.387 25.258  1.00 27.18 ? 116 GLU D CB  1 
ATOM   3521 C CG  . GLU D 1 102 ? 13.871  -18.252 24.444  1.00 31.82 ? 116 GLU D CG  1 
ATOM   3522 C CD  . GLU D 1 102 ? 12.918  -17.432 23.581  1.00 36.86 ? 116 GLU D CD  1 
ATOM   3523 O OE1 . GLU D 1 102 ? 13.310  -17.025 22.463  1.00 39.26 ? 116 GLU D OE1 1 
ATOM   3524 O OE2 . GLU D 1 102 ? 11.773  -17.189 24.022  1.00 38.89 ? 116 GLU D OE2 1 
ATOM   3525 N N   . ALA D 1 103 ? 17.405  -15.485 25.848  1.00 22.41 ? 117 ALA D N   1 
ATOM   3526 C CA  . ALA D 1 103 ? 18.008  -14.453 26.687  1.00 22.53 ? 117 ALA D CA  1 
ATOM   3527 C C   . ALA D 1 103 ? 18.346  -13.195 25.892  1.00 21.79 ? 117 ALA D C   1 
ATOM   3528 O O   . ALA D 1 103 ? 18.402  -12.096 26.460  1.00 22.28 ? 117 ALA D O   1 
ATOM   3529 C CB  . ALA D 1 103 ? 19.257  -15.002 27.375  1.00 23.50 ? 117 ALA D CB  1 
ATOM   3530 N N   . ASN D 1 104 ? 18.571  -13.325 24.588  1.00 20.32 ? 118 ASN D N   1 
ATOM   3531 C CA  . ASN D 1 104 ? 18.927  -12.188 23.755  1.00 21.05 ? 118 ASN D CA  1 
ATOM   3532 C C   . ASN D 1 104 ? 17.774  -11.718 22.881  1.00 19.10 ? 118 ASN D C   1 
ATOM   3533 O O   . ASN D 1 104 ? 17.963  -10.826 22.044  1.00 18.91 ? 118 ASN D O   1 
ATOM   3534 C CB  . ASN D 1 104 ? 20.160  -12.520 22.913  1.00 22.99 ? 118 ASN D CB  1 
ATOM   3535 C CG  . ASN D 1 104 ? 21.396  -12.712 23.766  1.00 25.17 ? 118 ASN D CG  1 
ATOM   3536 O OD1 . ASN D 1 104 ? 21.650  -11.936 24.692  1.00 26.80 ? 118 ASN D OD1 1 
ATOM   3537 N ND2 . ASN D 1 104 ? 22.155  -13.764 23.485  1.00 26.48 ? 118 ASN D ND2 1 
ATOM   3538 N N   . ALA D 1 105 ? 16.577  -12.279 23.067  1.00 17.67 ? 119 ALA D N   1 
ATOM   3539 C CA  . ALA D 1 105 ? 15.472  -11.967 22.170  1.00 17.97 ? 119 ALA D CA  1 
ATOM   3540 C C   . ALA D 1 105 ? 15.009  -10.524 22.297  1.00 16.96 ? 119 ALA D C   1 
ATOM   3541 O O   . ALA D 1 105 ? 14.462  -9.974  21.334  1.00 17.20 ? 119 ALA D O   1 
ATOM   3542 C CB  . ALA D 1 105 ? 14.303  -12.928 22.388  1.00 18.85 ? 119 ALA D CB  1 
ATOM   3543 N N   . TRP D 1 106 ? 15.221  -9.894  23.455  1.00 17.89 ? 120 TRP D N   1 
ATOM   3544 C CA  . TRP D 1 106 ? 14.764  -8.521  23.639  1.00 18.07 ? 120 TRP D CA  1 
ATOM   3545 C C   . TRP D 1 106 ? 15.422  -7.572  22.643  1.00 18.70 ? 120 TRP D C   1 
ATOM   3546 O O   . TRP D 1 106 ? 14.855  -6.522  22.323  1.00 18.59 ? 120 TRP D O   1 
ATOM   3547 C CB  . TRP D 1 106 ? 15.024  -8.071  25.079  1.00 19.31 ? 120 TRP D CB  1 
ATOM   3548 C CG  . TRP D 1 106 ? 16.470  -7.894  25.379  1.00 21.09 ? 120 TRP D CG  1 
ATOM   3549 C CD1 . TRP D 1 106 ? 17.348  -8.855  25.795  1.00 21.76 ? 120 TRP D CD1 1 
ATOM   3550 C CD2 . TRP D 1 106 ? 17.215  -6.674  25.298  1.00 21.53 ? 120 TRP D CD2 1 
ATOM   3551 N NE1 . TRP D 1 106 ? 18.598  -8.307  25.971  1.00 22.27 ? 120 TRP D NE1 1 
ATOM   3552 C CE2 . TRP D 1 106 ? 18.543  -6.970  25.672  1.00 22.83 ? 120 TRP D CE2 1 
ATOM   3553 C CE3 . TRP D 1 106 ? 16.890  -5.360  24.939  1.00 22.21 ? 120 TRP D CE3 1 
ATOM   3554 C CZ2 . TRP D 1 106 ? 19.545  -6.000  25.698  1.00 23.67 ? 120 TRP D CZ2 1 
ATOM   3555 C CZ3 . TRP D 1 106 ? 17.888  -4.396  24.969  1.00 22.80 ? 120 TRP D CZ3 1 
ATOM   3556 C CH2 . TRP D 1 106 ? 19.200  -4.722  25.347  1.00 23.49 ? 120 TRP D CH2 1 
ATOM   3557 N N   . LYS D 1 107 ? 16.614  -7.916  22.153  1.00 17.74 ? 121 LYS D N   1 
ATOM   3558 C CA  . LYS D 1 107 ? 17.371  -7.078  21.228  1.00 18.35 ? 121 LYS D CA  1 
ATOM   3559 C C   . LYS D 1 107 ? 17.487  -7.713  19.841  1.00 17.23 ? 121 LYS D C   1 
ATOM   3560 O O   . LYS D 1 107 ? 18.444  -7.457  19.102  1.00 17.73 ? 121 LYS D O   1 
ATOM   3561 C CB  . LYS D 1 107 ? 18.743  -6.728  21.810  1.00 20.17 ? 121 LYS D CB  1 
ATOM   3562 C CG  . LYS D 1 107 ? 19.563  -7.923  22.292  1.00 21.95 ? 121 LYS D CG  1 
ATOM   3563 C CD  . LYS D 1 107 ? 20.948  -7.475  22.751  1.00 23.60 ? 121 LYS D CD  1 
ATOM   3564 C CE  . LYS D 1 107 ? 21.827  -8.657  23.129  1.00 26.16 ? 121 LYS D CE  1 
ATOM   3565 N NZ  . LYS D 1 107 ? 23.216  -8.228  23.467  1.00 28.98 ? 121 LYS D NZ  1 
ATOM   3566 N N   . SER D 1 108 ? 16.489  -8.514  19.456  1.00 15.81 ? 122 SER D N   1 
ATOM   3567 C CA  . SER D 1 108 ? 16.518  -9.246  18.193  1.00 14.43 ? 122 SER D CA  1 
ATOM   3568 C C   . SER D 1 108 ? 16.072  -8.429  16.986  1.00 13.79 ? 122 SER D C   1 
ATOM   3569 O O   . SER D 1 108 ? 16.297  -8.878  15.858  1.00 14.51 ? 122 SER D O   1 
ATOM   3570 C CB  . SER D 1 108 ? 15.596  -10.459 18.294  1.00 17.22 ? 122 SER D CB  1 
ATOM   3571 O OG  . SER D 1 108 ? 14.246  -10.049 18.452  1.00 19.33 ? 122 SER D OG  1 
ATOM   3572 N N   . THR D 1 109 ? 15.431  -7.272  17.167  1.00 12.54 ? 123 THR D N   1 
ATOM   3573 C CA  . THR D 1 109 ? 14.715  -6.615  16.071  1.00 12.29 ? 123 THR D CA  1 
ATOM   3574 C C   . THR D 1 109 ? 15.141  -5.164  15.895  1.00 12.35 ? 123 THR D C   1 
ATOM   3575 O O   . THR D 1 109 ? 14.956  -4.339  16.797  1.00 13.36 ? 123 THR D O   1 
ATOM   3576 C CB  . THR D 1 109 ? 13.198  -6.701  16.270  1.00 12.64 ? 123 THR D CB  1 
ATOM   3577 O OG1 . THR D 1 109 ? 12.832  -8.054  16.571  1.00 14.76 ? 123 THR D OG1 1 
ATOM   3578 C CG2 . THR D 1 109 ? 12.454  -6.234  15.008  1.00 12.52 ? 123 THR D CG2 1 
ATOM   3579 N N   . LEU D 1 110 ? 15.662  -4.847  14.710  1.00 12.64 ? 124 LEU D N   1 
ATOM   3580 C CA  . LEU D 1 110 ? 15.963  -3.484  14.297  1.00 12.06 ? 124 LEU D CA  1 
ATOM   3581 C C   . LEU D 1 110 ? 14.797  -2.918  13.493  1.00 12.45 ? 124 LEU D C   1 
ATOM   3582 O O   . LEU D 1 110 ? 14.062  -3.656  12.826  1.00 13.29 ? 124 LEU D O   1 
ATOM   3583 C CB  . LEU D 1 110 ? 17.232  -3.457  13.435  1.00 13.46 ? 124 LEU D CB  1 
ATOM   3584 C CG  . LEU D 1 110 ? 18.547  -3.834  14.128  1.00 14.69 ? 124 LEU D CG  1 
ATOM   3585 C CD1 . LEU D 1 110 ? 19.658  -4.163  13.124  1.00 15.92 ? 124 LEU D CD1 1 
ATOM   3586 C CD2 . LEU D 1 110 ? 18.976  -2.701  15.044  1.00 15.38 ? 124 LEU D CD2 1 
ATOM   3587 N N   . VAL D 1 111 ? 14.642  -1.594  13.542  1.00 12.43 ? 125 VAL D N   1 
ATOM   3588 C CA  . VAL D 1 111 ? 13.598  -0.895  12.796  1.00 12.26 ? 125 VAL D CA  1 
ATOM   3589 C C   . VAL D 1 111 ? 14.203  0.276   12.030  1.00 12.22 ? 125 VAL D C   1 
ATOM   3590 O O   . VAL D 1 111 ? 15.138  0.932   12.507  1.00 13.48 ? 125 VAL D O   1 
ATOM   3591 C CB  . VAL D 1 111 ? 12.452  -0.432  13.731  1.00 13.45 ? 125 VAL D CB  1 
ATOM   3592 C CG1 . VAL D 1 111 ? 12.961  0.530   14.798  1.00 13.98 ? 125 VAL D CG1 1 
ATOM   3593 C CG2 . VAL D 1 111 ? 11.311  0.188   12.952  1.00 14.02 ? 125 VAL D CG2 1 
ATOM   3594 N N   . GLY D 1 112 ? 13.672  0.529   10.839  1.00 11.86 ? 126 GLY D N   1 
ATOM   3595 C CA  . GLY D 1 112 ? 14.139  1.646   10.044  1.00 12.16 ? 126 GLY D CA  1 
ATOM   3596 C C   . GLY D 1 112 ? 13.171  1.964   8.924   1.00 12.96 ? 126 GLY D C   1 
ATOM   3597 O O   . GLY D 1 112 ? 12.024  1.516   8.922   1.00 13.06 ? 126 GLY D O   1 
ATOM   3598 N N   . HIS D 1 113 ? 13.646  2.765   7.969   1.00 13.82 ? 127 HIS D N   1 
ATOM   3599 C CA  . HIS D 1 113 ? 12.811  3.178   6.848   1.00 14.60 ? 127 HIS D CA  1 
ATOM   3600 C C   . HIS D 1 113 ? 13.642  3.277   5.577   1.00 15.39 ? 127 HIS D C   1 
ATOM   3601 O O   . HIS D 1 113 ? 14.798  3.698   5.621   1.00 17.47 ? 127 HIS D O   1 
ATOM   3602 C CB  . HIS D 1 113 ? 12.124  4.522   7.144   1.00 18.00 ? 127 HIS D CB  1 
ATOM   3603 C CG  . HIS D 1 113 ? 13.035  5.559   7.725   1.00 21.19 ? 127 HIS D CG  1 
ATOM   3604 N ND1 . HIS D 1 113 ? 13.701  6.482   6.950   1.00 24.13 ? 127 HIS D ND1 1 
ATOM   3605 C CD2 . HIS D 1 113 ? 13.382  5.825   9.009   1.00 22.99 ? 127 HIS D CD2 1 
ATOM   3606 C CE1 . HIS D 1 113 ? 14.421  7.271   7.728   1.00 24.88 ? 127 HIS D CE1 1 
ATOM   3607 N NE2 . HIS D 1 113 ? 14.245  6.895   8.982   1.00 25.11 ? 127 HIS D NE2 1 
ATOM   3608 N N   . ASP D 1 114 ? 13.038  2.881   4.449   1.00 14.74 ? 128 ASP D N   1 
ATOM   3609 C CA  A ASP D 1 114 ? 13.668  2.926   3.134   0.34 14.67 ? 128 ASP D CA  1 
ATOM   3610 C CA  B ASP D 1 114 ? 13.675  2.942   3.138   0.66 14.28 ? 128 ASP D CA  1 
ATOM   3611 C C   . ASP D 1 114 ? 12.735  3.615   2.150   1.00 14.46 ? 128 ASP D C   1 
ATOM   3612 O O   . ASP D 1 114 ? 11.525  3.374   2.162   1.00 15.85 ? 128 ASP D O   1 
ATOM   3613 C CB  A ASP D 1 114 ? 13.905  1.512   2.588   0.34 15.36 ? 128 ASP D CB  1 
ATOM   3614 C CB  B ASP D 1 114 ? 13.984  1.545   2.567   0.66 15.22 ? 128 ASP D CB  1 
ATOM   3615 C CG  A ASP D 1 114 ? 15.322  1.028   2.792   0.34 16.03 ? 128 ASP D CG  1 
ATOM   3616 C CG  B ASP D 1 114 ? 15.192  0.890   3.204   0.66 16.39 ? 128 ASP D CG  1 
ATOM   3617 O OD1 A ASP D 1 114 ? 16.261  1.847   2.744   0.34 16.45 ? 128 ASP D OD1 1 
ATOM   3618 O OD1 B ASP D 1 114 ? 15.863  1.524   4.051   0.66 17.21 ? 128 ASP D OD1 1 
ATOM   3619 O OD2 A ASP D 1 114 ? 15.494  -0.191  2.990   0.34 16.76 ? 128 ASP D OD2 1 
ATOM   3620 O OD2 B ASP D 1 114 ? 15.459  -0.279  2.851   0.66 17.20 ? 128 ASP D OD2 1 
ATOM   3621 N N   . THR D 1 115 ? 13.298  4.449   1.280   1.00 15.41 ? 129 THR D N   1 
ATOM   3622 C CA  . THR D 1 115 ? 12.551  5.032   0.171   1.00 15.94 ? 129 THR D CA  1 
ATOM   3623 C C   . THR D 1 115 ? 13.170  4.552   -1.133  1.00 15.50 ? 129 THR D C   1 
ATOM   3624 O O   . THR D 1 115 ? 14.386  4.658   -1.315  1.00 16.38 ? 129 THR D O   1 
ATOM   3625 C CB  . THR D 1 115 ? 12.567  6.562   0.201   1.00 19.41 ? 129 THR D CB  1 
ATOM   3626 O OG1 . THR D 1 115 ? 12.090  7.022   1.467   1.00 23.55 ? 129 THR D OG1 1 
ATOM   3627 C CG2 . THR D 1 115 ? 11.668  7.107   -0.893  1.00 20.12 ? 129 THR D CG2 1 
ATOM   3628 N N   . PHE D 1 116 ? 12.339  4.024   -2.028  1.00 14.96 ? 130 PHE D N   1 
ATOM   3629 C CA  . PHE D 1 116 ? 12.795  3.467   -3.292  1.00 15.17 ? 130 PHE D CA  1 
ATOM   3630 C C   . PHE D 1 116 ? 12.336  4.343   -4.451  1.00 15.35 ? 130 PHE D C   1 
ATOM   3631 O O   . PHE D 1 116 ? 11.201  4.834   -4.458  1.00 15.28 ? 130 PHE D O   1 
ATOM   3632 C CB  . PHE D 1 116 ? 12.237  2.054   -3.484  1.00 15.42 ? 130 PHE D CB  1 
ATOM   3633 C CG  . PHE D 1 116 ? 12.747  1.052   -2.479  1.00 15.03 ? 130 PHE D CG  1 
ATOM   3634 C CD1 . PHE D 1 116 ? 12.093  0.858   -1.269  1.00 14.84 ? 130 PHE D CD1 1 
ATOM   3635 C CD2 . PHE D 1 116 ? 13.886  0.311   -2.731  1.00 16.43 ? 130 PHE D CD2 1 
ATOM   3636 C CE1 . PHE D 1 116 ? 12.563  -0.062  -0.348  1.00 14.92 ? 130 PHE D CE1 1 
ATOM   3637 C CE2 . PHE D 1 116 ? 14.356  -0.613  -1.815  1.00 16.58 ? 130 PHE D CE2 1 
ATOM   3638 C CZ  . PHE D 1 116 ? 13.696  -0.788  -0.615  1.00 15.71 ? 130 PHE D CZ  1 
ATOM   3639 N N   . THR D 1 117 ? 13.223  4.521   -5.432  1.00 14.72 ? 131 THR D N   1 
ATOM   3640 C CA  . THR D 1 117 ? 12.945  5.266   -6.652  1.00 15.84 ? 131 THR D CA  1 
ATOM   3641 C C   . THR D 1 117 ? 13.325  4.411   -7.855  1.00 14.78 ? 131 THR D C   1 
ATOM   3642 O O   . THR D 1 117 ? 14.082  3.444   -7.742  1.00 14.79 ? 131 THR D O   1 
ATOM   3643 C CB  . THR D 1 117 ? 13.746  6.576   -6.699  1.00 20.85 ? 131 THR D CB  1 
ATOM   3644 O OG1 . THR D 1 117 ? 15.145  6.286   -6.583  1.00 24.74 ? 131 THR D OG1 1 
ATOM   3645 C CG2 . THR D 1 117 ? 13.339  7.513   -5.574  1.00 21.50 ? 131 THR D CG2 1 
ATOM   3646 N N   . LYS D 1 118 ? 12.814  4.796   -9.029  1.00 16.45 ? 132 LYS D N   1 
ATOM   3647 C CA  . LYS D 1 118 ? 13.149  4.079   -10.255 1.00 16.96 ? 132 LYS D CA  1 
ATOM   3648 C C   . LYS D 1 118 ? 14.493  4.495   -10.842 1.00 17.80 ? 132 LYS D C   1 
ATOM   3649 O O   . LYS D 1 118 ? 14.956  3.858   -11.796 1.00 17.85 ? 132 LYS D O   1 
ATOM   3650 C CB  . LYS D 1 118 ? 12.029  4.235   -11.289 1.00 19.40 ? 132 LYS D CB  1 
ATOM   3651 C CG  . LYS D 1 118 ? 10.783  3.416   -10.959 1.00 22.26 ? 132 LYS D CG  1 
ATOM   3652 C CD  . LYS D 1 118 ? 9.754   3.466   -12.077 1.00 26.28 ? 132 LYS D CD  1 
ATOM   3653 C CE  . LYS D 1 118 ? 8.561   2.563   -11.773 1.00 30.01 ? 132 LYS D CE  1 
ATOM   3654 N NZ  . LYS D 1 118 ? 8.847   1.110   -12.012 1.00 32.74 ? 132 LYS D NZ  1 
ATOM   3655 N N   . VAL D 1 119 ? 15.124  5.528   -10.289 1.00 21.30 ? 133 VAL D N   1 
ATOM   3656 C CA  . VAL D 1 119 ? 16.419  6.040   -10.721 1.00 24.99 ? 133 VAL D CA  1 
ATOM   3657 C C   . VAL D 1 119 ? 17.376  5.942   -9.541  1.00 28.97 ? 133 VAL D C   1 
ATOM   3658 O O   . VAL D 1 119 ? 16.995  6.245   -8.407  1.00 30.60 ? 133 VAL D O   1 
ATOM   3659 C CB  . VAL D 1 119 ? 16.281  7.516   -11.147 1.00 27.85 ? 133 VAL D CB  1 
ATOM   3660 C CG1 . VAL D 1 119 ? 17.622  8.077   -11.580 1.00 27.90 ? 133 VAL D CG1 1 
ATOM   3661 C CG2 . VAL D 1 119 ? 15.240  7.665   -12.245 1.00 29.92 ? 133 VAL D CG2 1 
ATOM   3662 N N   . LYS D 1 120 ? 18.617  5.539   -9.808  1.00 32.30 ? 134 LYS D N   1 
ATOM   3663 C CA  . LYS D 1 120 ? 19.643  5.455   -8.762  1.00 34.70 ? 134 LYS D CA  1 
ATOM   3664 C C   . LYS D 1 120 ? 19.814  6.772   -8.006  1.00 34.90 ? 134 LYS D C   1 
ATOM   3665 O O   . LYS D 1 120 ? 19.956  7.836   -8.610  1.00 35.32 ? 134 LYS D O   1 
ATOM   3666 C CB  . LYS D 1 120 ? 20.989  5.031   -9.355  1.00 37.17 ? 134 LYS D CB  1 
ATOM   3667 C CG  . LYS D 1 120 ? 20.982  3.666   -10.026 1.00 39.39 ? 134 LYS D CG  1 
ATOM   3668 C CD  . LYS D 1 120 ? 22.342  3.354   -10.632 1.00 40.82 ? 134 LYS D CD  1 
ATOM   3669 C CE  . LYS D 1 120 ? 22.317  2.066   -11.435 1.00 42.05 ? 134 LYS D CE  1 
ATOM   3670 N NZ  . LYS D 1 120 ? 23.633  1.802   -12.085 1.00 43.25 ? 134 LYS D NZ  1 
HETATM 3671 C C8  . MT6 E 2 .   ? -5.877  -5.033  9.612   0.82 16.43 ? 201 MT6 A C8  1 
HETATM 3672 C C7  . MT6 E 2 .   ? -5.993  -6.414  9.802   0.82 15.53 ? 201 MT6 A C7  1 
HETATM 3673 C C5  . MT6 E 2 .   ? -5.137  -8.359  11.283  0.82 15.56 ? 201 MT6 A C5  1 
HETATM 3674 C C6  . MT6 E 2 .   ? -5.148  -7.112  10.761  0.82 14.70 ? 201 MT6 A C6  1 
HETATM 3675 N N1  . MT6 E 2 .   ? -2.208  -9.164  13.515  0.82 14.90 ? 201 MT6 A N1  1 
HETATM 3676 C C2  . MT6 E 2 .   ? -1.565  -7.976  13.339  0.82 13.75 ? 201 MT6 A C2  1 
HETATM 3677 C C4  . MT6 E 2 .   ? -3.962  -8.475  12.084  0.82 15.78 ? 201 MT6 A C4  1 
HETATM 3678 O O3  . MT6 E 2 .   ? -6.860  -2.346  7.447   0.82 18.74 ? 201 MT6 A O3  1 
HETATM 3679 C C14 . MT6 E 2 .   ? -6.543  -2.907  8.464   0.82 18.58 ? 201 MT6 A C14 1 
HETATM 3680 O O4  . MT6 E 2 .   ? -5.944  -2.278  9.473   0.82 19.66 ? 201 MT6 A O4  1 
HETATM 3681 C C15 . MT6 E 2 .   ? -5.709  -0.860  9.280   0.82 20.62 ? 201 MT6 A C15 1 
HETATM 3682 C C9  . MT6 E 2 .   ? -6.683  -4.373  8.692   0.82 16.47 ? 201 MT6 A C9  1 
HETATM 3683 C C10 . MT6 E 2 .   ? -7.562  -5.101  7.903   0.82 16.12 ? 201 MT6 A C10 1 
HETATM 3684 C C13 . MT6 E 2 .   ? -7.688  -6.463  8.087   0.82 16.23 ? 201 MT6 A C13 1 
HETATM 3685 C C11 . MT6 E 2 .   ? -6.915  -7.118  9.028   0.82 16.15 ? 201 MT6 A C11 1 
HETATM 3686 O O2  . MT6 E 2 .   ? -3.986  -6.429  11.107  0.82 15.66 ? 201 MT6 A O2  1 
HETATM 3687 C C12 . MT6 E 2 .   ? -3.289  -7.268  11.942  0.82 15.28 ? 201 MT6 A C12 1 
HETATM 3688 C C1  . MT6 E 2 .   ? -2.082  -7.013  12.552  0.82 13.81 ? 201 MT6 A C1  1 
HETATM 3689 C C3  . MT6 E 2 .   ? -3.414  -9.500  12.916  0.82 16.04 ? 201 MT6 A C3  1 
HETATM 3690 O O1  . MT6 E 2 .   ? -3.914  -10.622 13.133  0.82 16.36 ? 201 MT6 A O1  1 
HETATM 3691 C C8  . MT6 F 2 .   ? 19.686  -1.097  26.784  0.82 23.40 ? 201 MT6 B C8  1 
HETATM 3692 C C7  . MT6 F 2 .   ? 19.097  -1.205  28.045  0.82 22.45 ? 201 MT6 B C7  1 
HETATM 3693 C C5  . MT6 F 2 .   ? 16.894  -1.938  29.192  0.82 19.80 ? 201 MT6 B C5  1 
HETATM 3694 C C6  . MT6 F 2 .   ? 17.694  -1.569  28.167  0.82 20.85 ? 201 MT6 B C6  1 
HETATM 3695 N N1  . MT6 F 2 .   ? 13.276  -2.500  28.295  0.82 16.30 ? 201 MT6 B N1  1 
HETATM 3696 C C2  . MT6 F 2 .   ? 13.390  -2.161  26.980  0.82 16.59 ? 201 MT6 B C2  1 
HETATM 3697 C C4  . MT6 F 2 .   ? 15.579  -2.100  28.662  0.82 18.96 ? 201 MT6 B C4  1 
HETATM 3698 O O3  . MT6 F 2 .   ? 21.088  -1.033  24.283  0.82 28.89 ? 201 MT6 B O3  1 
HETATM 3699 C C14 . MT6 F 2 .   ? 21.619  -0.643  25.291  0.82 27.10 ? 201 MT6 B C14 1 
HETATM 3700 O O4  . MT6 F 2 .   ? 22.833  -0.096  25.315  0.82 29.21 ? 201 MT6 B O4  1 
HETATM 3701 C C15 . MT6 F 2 .   ? 23.496  0.054   24.038  0.82 30.93 ? 201 MT6 B C15 1 
HETATM 3702 C C9  . MT6 F 2 .   ? 21.026  -0.764  26.650  0.82 24.73 ? 201 MT6 B C9  1 
HETATM 3703 C C10 . MT6 F 2 .   ? 21.787  -0.502  27.781  0.82 24.26 ? 201 MT6 B C10 1 
HETATM 3704 C C13 . MT6 F 2 .   ? 21.217  -0.617  29.035  0.82 24.41 ? 201 MT6 B C13 1 
HETATM 3705 C C11 . MT6 F 2 .   ? 19.887  -0.974  29.171  0.82 23.42 ? 201 MT6 B C11 1 
HETATM 3706 O O2  . MT6 F 2 .   ? 16.956  -1.419  26.999  0.82 19.89 ? 201 MT6 B O2  1 
HETATM 3707 C C12 . MT6 F 2 .   ? 15.664  -1.765  27.316  0.82 19.41 ? 201 MT6 B C12 1 
HETATM 3708 C C1  . MT6 F 2 .   ? 14.578  -1.797  26.466  0.82 18.24 ? 201 MT6 B C1  1 
HETATM 3709 C C3  . MT6 F 2 .   ? 14.320  -2.495  29.208  0.82 17.28 ? 201 MT6 B C3  1 
HETATM 3710 O O1  . MT6 F 2 .   ? 14.098  -2.818  30.391  0.82 17.48 ? 201 MT6 B O1  1 
HETATM 3711 C C8  . MT6 G 2 .   ? -0.816  13.192  17.055  0.80 20.59 ? 201 MT6 C C8  1 
HETATM 3712 C C7  . MT6 G 2 .   ? -0.014  14.332  16.960  0.80 19.49 ? 201 MT6 C C7  1 
HETATM 3713 C C5  . MT6 G 2 .   ? 2.218   15.189  15.972  0.80 18.05 ? 201 MT6 C C5  1 
HETATM 3714 C C6  . MT6 G 2 .   ? 1.314   14.265  16.367  0.80 18.63 ? 201 MT6 C C6  1 
HETATM 3715 N N1  . MT6 G 2 .   ? 5.497   13.823  14.718  0.80 16.72 ? 201 MT6 C N1  1 
HETATM 3716 C C2  . MT6 G 2 .   ? 5.214   12.511  14.954  0.80 15.72 ? 201 MT6 C C2  1 
HETATM 3717 C C4  . MT6 G 2 .   ? 3.380   14.488  15.533  0.80 18.09 ? 201 MT6 C C4  1 
HETATM 3718 O O3  . MT6 G 2 .   ? -3.831  11.891  18.499  0.80 23.44 ? 201 MT6 C O3  1 
HETATM 3719 C C14 . MT6 G 2 .   ? -2.922  12.029  17.720  0.80 23.19 ? 201 MT6 C C14 1 
HETATM 3720 O O4  . MT6 G 2 .   ? -2.523  11.068  16.890  0.80 25.38 ? 201 MT6 C O4  1 
HETATM 3721 C C15 . MT6 G 2 .   ? -3.281  9.834   16.934  0.80 25.79 ? 201 MT6 C C15 1 
HETATM 3722 C C9  . MT6 G 2 .   ? -2.088  13.258  17.606  0.80 21.42 ? 201 MT6 C C9  1 
HETATM 3723 C C10 . MT6 G 2 .   ? -2.550  14.459  18.126  0.80 20.95 ? 201 MT6 C C10 1 
HETATM 3724 C C13 . MT6 G 2 .   ? -1.772  15.595  18.024  0.80 20.66 ? 201 MT6 C C13 1 
HETATM 3725 C C11 . MT6 G 2 .   ? -0.520  15.540  17.442  0.80 20.14 ? 201 MT6 C C11 1 
HETATM 3726 O O2  . MT6 G 2 .   ? 1.856   12.986  16.282  0.80 18.49 ? 201 MT6 C O2  1 
HETATM 3727 C C12 . MT6 G 2 .   ? 3.117   13.141  15.756  0.80 17.73 ? 201 MT6 C C12 1 
HETATM 3728 C C1  . MT6 G 2 .   ? 4.028   12.147  15.473  0.80 15.72 ? 201 MT6 C C1  1 
HETATM 3729 C C3  . MT6 G 2 .   ? 4.641   14.879  14.986  0.80 17.63 ? 201 MT6 C C3  1 
HETATM 3730 O O1  . MT6 G 2 .   ? 5.007   16.043  14.727  0.80 18.33 ? 201 MT6 C O1  1 
HETATM 3731 C C8  . MT6 H 2 .   ? 20.869  -7.005  6.766   0.84 34.62 ? 201 MT6 D C8  1 
HETATM 3732 C C7  . MT6 H 2 .   ? 20.808  -6.636  5.421   0.84 32.30 ? 201 MT6 D C7  1 
HETATM 3733 C C5  . MT6 H 2 .   ? 19.777  -4.852  3.856   0.84 26.57 ? 201 MT6 D C5  1 
HETATM 3734 C C6  . MT6 H 2 .   ? 19.922  -5.562  4.996   0.84 28.68 ? 201 MT6 D C6  1 
HETATM 3735 N N1  . MT6 H 2 .   ? 17.088  -2.216  3.919   0.84 21.37 ? 201 MT6 D N1  1 
HETATM 3736 C C2  . MT6 H 2 .   ? 16.666  -2.461  5.189   0.84 20.60 ? 201 MT6 D C2  1 
HETATM 3737 C C4  . MT6 H 2 .   ? 18.725  -3.915  4.073   0.84 24.75 ? 201 MT6 D C4  1 
HETATM 3738 O O3  . MT6 H 2 .   ? 20.783  -8.784  9.226   0.84 41.73 ? 201 MT6 D O3  1 
HETATM 3739 C C14 . MT6 H 2 .   ? 21.746  -8.349  8.649   0.84 40.33 ? 201 MT6 D C14 1 
HETATM 3740 O O4  . MT6 H 2 .   ? 22.968  -8.405  9.189   0.84 42.81 ? 201 MT6 D O4  1 
HETATM 3741 C C15 . MT6 H 2 .   ? 23.947  -7.420  8.768   0.84 43.22 ? 201 MT6 D C15 1 
HETATM 3742 C C9  . MT6 H 2 .   ? 21.724  -8.010  7.196   0.84 37.00 ? 201 MT6 D C9  1 
HETATM 3743 C C10 . MT6 H 2 .   ? 22.576  -8.616  6.279   0.84 36.19 ? 201 MT6 D C10 1 
HETATM 3744 C C13 . MT6 H 2 .   ? 22.533  -8.252  4.947   0.84 35.03 ? 201 MT6 D C13 1 
HETATM 3745 C C11 . MT6 H 2 .   ? 21.670  -7.260  4.519   0.84 33.64 ? 201 MT6 D C11 1 
HETATM 3746 O O2  . MT6 H 2 .   ? 18.999  -5.150  5.951   0.84 27.27 ? 201 MT6 D O2  1 
HETATM 3747 C C12 . MT6 H 2 .   ? 18.276  -4.137  5.369   0.84 24.35 ? 201 MT6 D C12 1 
HETATM 3748 C C1  . MT6 H 2 .   ? 17.251  -3.410  5.940   0.84 22.32 ? 201 MT6 D C1  1 
HETATM 3749 C C3  . MT6 H 2 .   ? 18.110  -2.899  3.279   0.84 22.53 ? 201 MT6 D C3  1 
HETATM 3750 O O1  . MT6 H 2 .   ? 18.410  -2.594  2.109   0.84 22.23 ? 201 MT6 D O1  1 
HETATM 3751 O O   . HOH I 3 .   ? -8.263  -24.031 13.650  1.00 41.97 ? 301 HOH A O   1 
HETATM 3752 O O   . HOH I 3 .   ? -5.625  -26.519 14.581  1.00 38.68 ? 302 HOH A O   1 
HETATM 3753 O O   . HOH I 3 .   ? 9.307   -20.972 -3.953  1.00 36.68 ? 303 HOH A O   1 
HETATM 3754 O O   . HOH I 3 .   ? -13.639 -2.013  2.995   1.00 39.00 ? 304 HOH A O   1 
HETATM 3755 O O   . HOH I 3 .   ? 3.782   -10.628 21.580  1.00 27.23 ? 305 HOH A O   1 
HETATM 3756 O O   . HOH I 3 .   ? 6.433   -21.286 24.611  1.00 42.37 ? 306 HOH A O   1 
HETATM 3757 O O   . HOH I 3 .   ? 16.742  -23.586 1.132   1.00 35.42 ? 307 HOH A O   1 
HETATM 3758 O O   . HOH I 3 .   ? -10.165 -7.103  3.850   1.00 18.21 ? 308 HOH A O   1 
HETATM 3759 O O   . HOH I 3 .   ? -7.015  -24.579 23.192  1.00 21.11 ? 309 HOH A O   1 
HETATM 3760 O O   . HOH I 3 .   ? 5.859   -28.978 10.996  1.00 29.41 ? 310 HOH A O   1 
HETATM 3761 O O   . HOH I 3 .   ? -17.332 -15.168 5.090   1.00 31.07 ? 311 HOH A O   1 
HETATM 3762 O O   . HOH I 3 .   ? -2.423  -11.145 0.425   1.00 13.36 ? 312 HOH A O   1 
HETATM 3763 O O   . HOH I 3 .   ? -10.101 -12.742 8.123   1.00 19.60 ? 313 HOH A O   1 
HETATM 3764 O O   . HOH I 3 .   ? 16.342  -19.283 3.507   1.00 18.25 ? 314 HOH A O   1 
HETATM 3765 O O   . HOH I 3 .   ? -8.333  -19.946 8.560   1.00 23.03 ? 315 HOH A O   1 
HETATM 3766 O O   . HOH I 3 .   ? 11.696  -14.988 20.550  1.00 31.47 ? 316 HOH A O   1 
HETATM 3767 O O   . HOH I 3 .   ? 2.567   -24.291 20.547  1.00 32.62 ? 317 HOH A O   1 
HETATM 3768 O O   . HOH I 3 .   ? 15.699  -27.021 3.042   1.00 40.56 ? 318 HOH A O   1 
HETATM 3769 O O   . HOH I 3 .   ? -2.263  -26.341 15.469  1.00 30.18 ? 319 HOH A O   1 
HETATM 3770 O O   . HOH I 3 .   ? -13.004 -7.971  12.429  1.00 32.96 ? 320 HOH A O   1 
HETATM 3771 O O   . HOH I 3 .   ? 23.794  -17.618 15.622  1.00 33.78 ? 321 HOH A O   1 
HETATM 3772 O O   . HOH I 3 .   ? 19.525  -23.104 17.096  1.00 38.46 ? 322 HOH A O   1 
HETATM 3773 O O   . HOH I 3 .   ? -5.815  13.902  2.348   1.00 34.49 ? 323 HOH A O   1 
HETATM 3774 O O   . HOH I 3 .   ? -1.625  -7.451  17.818  1.00 37.02 ? 324 HOH A O   1 
HETATM 3775 O O   . HOH I 3 .   ? 0.693   -18.609 -0.445  1.00 22.52 ? 325 HOH A O   1 
HETATM 3776 O O   . HOH I 3 .   ? -0.933  -0.709  17.148  1.00 27.38 ? 326 HOH A O   1 
HETATM 3777 O O   . HOH I 3 .   ? -5.048  -22.763 4.001   1.00 29.33 ? 327 HOH A O   1 
HETATM 3778 O O   . HOH I 3 .   ? 5.788   -22.970 1.002   1.00 20.85 ? 328 HOH A O   1 
HETATM 3779 O O   . HOH I 3 .   ? -9.293  -17.002 13.066  1.00 28.47 ? 329 HOH A O   1 
HETATM 3780 O O   . HOH I 3 .   ? 15.898  -22.472 15.430  1.00 26.84 ? 330 HOH A O   1 
HETATM 3781 O O   . HOH I 3 .   ? -9.539  -2.422  9.418   1.00 27.97 ? 331 HOH A O   1 
HETATM 3782 O O   . HOH I 3 .   ? -5.907  -25.918 9.858   1.00 26.63 ? 332 HOH A O   1 
HETATM 3783 O O   . HOH I 3 .   ? 5.224   2.055   6.410   1.00 17.83 ? 333 HOH A O   1 
HETATM 3784 O O   . HOH I 3 .   ? 8.909   -24.336 -2.148  1.00 38.95 ? 334 HOH A O   1 
HETATM 3785 O O   . HOH I 3 .   ? 14.164  -23.113 17.638  1.00 43.46 ? 335 HOH A O   1 
HETATM 3786 O O   . HOH I 3 .   ? -9.525  -20.977 22.869  1.00 35.54 ? 336 HOH A O   1 
HETATM 3787 O O   . HOH I 3 .   ? -7.549  -20.750 27.672  1.00 35.07 ? 337 HOH A O   1 
HETATM 3788 O O   . HOH I 3 .   ? -11.130 -16.121 1.153   1.00 25.97 ? 338 HOH A O   1 
HETATM 3789 O O   . HOH I 3 .   ? 0.781   -23.536 1.396   1.00 34.44 ? 339 HOH A O   1 
HETATM 3790 O O   . HOH I 3 .   ? 25.670  -27.194 18.324  1.00 39.79 ? 340 HOH A O   1 
HETATM 3791 O O   . HOH I 3 .   ? 2.126   6.064   10.693  1.00 26.53 ? 341 HOH A O   1 
HETATM 3792 O O   . HOH I 3 .   ? 6.821   -28.848 5.534   1.00 40.66 ? 342 HOH A O   1 
HETATM 3793 O O   . HOH I 3 .   ? -8.141  -22.080 1.891   1.00 37.86 ? 343 HOH A O   1 
HETATM 3794 O O   . HOH I 3 .   ? 9.316   -22.094 22.157  1.00 32.57 ? 344 HOH A O   1 
HETATM 3795 O O   . HOH I 3 .   ? -1.804  -27.022 8.926   1.00 27.09 ? 345 HOH A O   1 
HETATM 3796 O O   . HOH I 3 .   ? 17.609  -17.835 11.627  1.00 18.22 ? 346 HOH A O   1 
HETATM 3797 O O   . HOH I 3 .   ? -2.669  1.190   8.863   1.00 14.63 ? 347 HOH A O   1 
HETATM 3798 O O   . HOH I 3 .   ? 3.431   5.553   4.196   1.00 29.85 ? 348 HOH A O   1 
HETATM 3799 O O   . HOH I 3 .   ? -4.179  6.568   11.236  1.00 33.88 ? 349 HOH A O   1 
HETATM 3800 O O   . HOH I 3 .   ? 15.481  -25.911 8.228   1.00 41.15 ? 350 HOH A O   1 
HETATM 3801 O O   . HOH I 3 .   ? -7.397  -17.563 21.161  1.00 42.12 ? 351 HOH A O   1 
HETATM 3802 O O   . HOH I 3 .   ? 24.251  -19.352 21.562  1.00 42.20 ? 352 HOH A O   1 
HETATM 3803 O O   . HOH I 3 .   ? -3.021  3.788   9.882   1.00 21.52 ? 353 HOH A O   1 
HETATM 3804 O O   . HOH I 3 .   ? -13.203 -14.484 8.982   1.00 38.02 ? 354 HOH A O   1 
HETATM 3805 O O   . HOH I 3 .   ? 2.325   -28.974 12.906  1.00 35.37 ? 355 HOH A O   1 
HETATM 3806 O O   . HOH I 3 .   ? -2.289  -19.377 -0.304  1.00 32.83 ? 356 HOH A O   1 
HETATM 3807 O O   . HOH I 3 .   ? 0.084   -8.011  21.564  1.00 42.94 ? 357 HOH A O   1 
HETATM 3808 O O   . HOH I 3 .   ? 2.071   13.030  5.748   1.00 21.89 ? 358 HOH A O   1 
HETATM 3809 O O   . HOH I 3 .   ? -10.726 -0.707  5.424   1.00 42.87 ? 359 HOH A O   1 
HETATM 3810 O O   . HOH I 3 .   ? 13.434  -24.002 11.853  1.00 25.42 ? 360 HOH A O   1 
HETATM 3811 O O   . HOH I 3 .   ? -5.907  -19.164 7.506   1.00 19.96 ? 361 HOH A O   1 
HETATM 3812 O O   . HOH I 3 .   ? -5.397  -4.427  0.357   1.00 14.41 ? 362 HOH A O   1 
HETATM 3813 O O   . HOH I 3 .   ? 11.925  -27.308 16.320  1.00 44.69 ? 363 HOH A O   1 
HETATM 3814 O O   . HOH I 3 .   ? 5.880   -11.158 19.883  1.00 22.86 ? 364 HOH A O   1 
HETATM 3815 O O   . HOH I 3 .   ? -12.890 -1.711  -0.721  1.00 43.30 ? 365 HOH A O   1 
HETATM 3816 O O   . HOH I 3 .   ? -6.492  2.311   3.025   1.00 30.87 ? 366 HOH A O   1 
HETATM 3817 O O   . HOH I 3 .   ? 20.688  -25.743 10.302  1.00 37.11 ? 367 HOH A O   1 
HETATM 3818 O O   . HOH I 3 .   ? -11.463 -4.616  14.694  1.00 35.68 ? 368 HOH A O   1 
HETATM 3819 O O   . HOH I 3 .   ? 19.448  -18.955 13.602  1.00 22.85 ? 369 HOH A O   1 
HETATM 3820 O O   . HOH I 3 .   ? 9.591   -28.143 -0.140  1.00 39.03 ? 370 HOH A O   1 
HETATM 3821 O O   . HOH I 3 .   ? 14.513  -23.776 9.235   1.00 21.55 ? 371 HOH A O   1 
HETATM 3822 O O   . HOH I 3 .   ? -4.354  -10.077 -1.667  1.00 21.21 ? 372 HOH A O   1 
HETATM 3823 O O   . HOH I 3 .   ? -11.571 -0.254  2.203   1.00 31.85 ? 373 HOH A O   1 
HETATM 3824 O O   . HOH I 3 .   ? -5.622  9.115   3.048   1.00 24.74 ? 374 HOH A O   1 
HETATM 3825 O O   . HOH I 3 .   ? -14.161 -4.120  1.241   1.00 36.67 ? 375 HOH A O   1 
HETATM 3826 O O   . HOH I 3 .   ? 10.017  -11.121 17.610  1.00 22.09 ? 376 HOH A O   1 
HETATM 3827 O O   . HOH I 3 .   ? 1.029   15.732  6.395   1.00 30.92 ? 377 HOH A O   1 
HETATM 3828 O O   . HOH I 3 .   ? -3.104  14.526  8.152   1.00 33.77 ? 378 HOH A O   1 
HETATM 3829 O O   . HOH I 3 .   ? 23.547  -23.146 9.838   1.00 38.55 ? 379 HOH A O   1 
HETATM 3830 O O   . HOH I 3 .   ? 5.327   -27.696 20.643  1.00 45.44 ? 380 HOH A O   1 
HETATM 3831 O O   . HOH I 3 .   ? -6.111  -13.079 -0.568  1.00 16.70 ? 381 HOH A O   1 
HETATM 3832 O O   . HOH I 3 .   ? -0.133  -23.645 4.058   1.00 29.91 ? 382 HOH A O   1 
HETATM 3833 O O   . HOH I 3 .   ? -14.925 -10.655 -5.721  1.00 32.73 ? 383 HOH A O   1 
HETATM 3834 O O   . HOH I 3 .   ? 19.338  -25.550 14.116  1.00 41.41 ? 384 HOH A O   1 
HETATM 3835 O O   . HOH I 3 .   ? -11.234 -14.975 -1.261  1.00 26.38 ? 385 HOH A O   1 
HETATM 3836 O O   . HOH I 3 .   ? -0.685  -17.299 21.115  1.00 26.84 ? 386 HOH A O   1 
HETATM 3837 O O   . HOH I 3 .   ? -7.036  0.416   6.109   1.00 42.21 ? 387 HOH A O   1 
HETATM 3838 O O   . HOH I 3 .   ? -4.955  -15.126 24.280  1.00 35.09 ? 388 HOH A O   1 
HETATM 3839 O O   . HOH I 3 .   ? 0.345   -5.443  19.541  1.00 22.46 ? 389 HOH A O   1 
HETATM 3840 O O   . HOH I 3 .   ? -10.970 -4.783  -4.444  1.00 34.15 ? 390 HOH A O   1 
HETATM 3841 O O   . HOH I 3 .   ? 12.843  -19.942 -3.220  1.00 35.02 ? 391 HOH A O   1 
HETATM 3842 O O   . HOH I 3 .   ? -9.881  -21.047 12.451  1.00 42.50 ? 392 HOH A O   1 
HETATM 3843 O O   . HOH I 3 .   ? 8.380   -27.033 8.749   1.00 29.87 ? 393 HOH A O   1 
HETATM 3844 O O   . HOH I 3 .   ? -8.983  -17.738 25.518  1.00 43.75 ? 394 HOH A O   1 
HETATM 3845 O O   . HOH I 3 .   ? 6.781   -17.743 -0.830  1.00 23.39 ? 395 HOH A O   1 
HETATM 3846 O O   . HOH I 3 .   ? -2.310  14.778  -0.081  1.00 22.51 ? 396 HOH A O   1 
HETATM 3847 O O   . HOH I 3 .   ? -0.241  -27.817 12.979  1.00 25.96 ? 397 HOH A O   1 
HETATM 3848 O O   . HOH I 3 .   ? 0.003   -26.221 6.991   1.00 26.99 ? 398 HOH A O   1 
HETATM 3849 O O   . HOH I 3 .   ? 16.732  -20.584 1.102   1.00 26.47 ? 399 HOH A O   1 
HETATM 3850 O O   . HOH I 3 .   ? 11.048  -25.273 10.806  1.00 43.42 ? 400 HOH A O   1 
HETATM 3851 O O   . HOH I 3 .   ? -12.743 -10.379 11.257  1.00 42.97 ? 401 HOH A O   1 
HETATM 3852 O O   . HOH I 3 .   ? -0.990  -21.549 23.684  1.00 39.94 ? 402 HOH A O   1 
HETATM 3853 O O   . HOH I 3 .   ? 6.641   -27.116 16.100  1.00 34.05 ? 403 HOH A O   1 
HETATM 3854 O O   . HOH I 3 .   ? -8.606  12.682  5.183   1.00 44.86 ? 404 HOH A O   1 
HETATM 3855 O O   . HOH I 3 .   ? 8.348   -29.387 9.688   1.00 44.90 ? 405 HOH A O   1 
HETATM 3856 O O   . HOH I 3 .   ? -1.975  16.789  6.854   1.00 42.96 ? 406 HOH A O   1 
HETATM 3857 O O   . HOH I 3 .   ? -9.062  -22.354 9.637   1.00 36.38 ? 407 HOH A O   1 
HETATM 3858 O O   . HOH I 3 .   ? 0.228   -17.019 23.647  1.00 39.46 ? 408 HOH A O   1 
HETATM 3859 O O   . HOH I 3 .   ? -9.450  -10.022 19.113  1.00 44.85 ? 409 HOH A O   1 
HETATM 3860 O O   . HOH I 3 .   ? -9.303  -0.434  7.498   1.00 46.11 ? 410 HOH A O   1 
HETATM 3861 O O   . HOH I 3 .   ? 25.743  -22.450 13.609  1.00 47.58 ? 411 HOH A O   1 
HETATM 3862 O O   . HOH I 3 .   ? -6.691  3.453   -0.020  1.00 19.98 ? 412 HOH A O   1 
HETATM 3863 O O   . HOH I 3 .   ? -11.490 -20.792 10.778  1.00 51.38 ? 413 HOH A O   1 
HETATM 3864 O O   . HOH I 3 .   ? -7.714  -15.432 -0.486  1.00 29.78 ? 414 HOH A O   1 
HETATM 3865 O O   . HOH I 3 .   ? -13.086 -7.386  -2.630  1.00 36.04 ? 415 HOH A O   1 
HETATM 3866 O O   . HOH I 3 .   ? 1.090   8.162   0.261   1.00 35.51 ? 416 HOH A O   1 
HETATM 3867 O O   . HOH I 3 .   ? 15.677  -20.307 -2.993  1.00 30.25 ? 417 HOH A O   1 
HETATM 3868 O O   . HOH I 3 .   ? -11.534 -15.016 12.623  1.00 42.44 ? 418 HOH A O   1 
HETATM 3869 O O   . HOH I 3 .   ? 1.203   -10.467 21.771  1.00 43.90 ? 419 HOH A O   1 
HETATM 3870 O O   . HOH I 3 .   ? 23.895  -21.681 7.571   1.00 40.76 ? 420 HOH A O   1 
HETATM 3871 O O   . HOH I 3 .   ? 0.146   -19.430 24.896  1.00 33.23 ? 421 HOH A O   1 
HETATM 3872 O O   . HOH I 3 .   ? 1.467   -2.888  22.681  1.00 37.58 ? 422 HOH A O   1 
HETATM 3873 O O   . HOH I 3 .   ? 4.824   6.823   7.812   1.00 42.44 ? 423 HOH A O   1 
HETATM 3874 O O   . HOH I 3 .   ? 4.828   -11.794 24.085  1.00 37.09 ? 424 HOH A O   1 
HETATM 3875 O O   . HOH I 3 .   ? -15.602 -15.506 7.401   1.00 49.00 ? 425 HOH A O   1 
HETATM 3876 O O   . HOH I 3 .   ? -8.973  -11.765 -4.286  1.00 46.44 ? 426 HOH A O   1 
HETATM 3877 O O   . HOH I 3 .   ? 0.692   -5.185  24.724  1.00 43.77 ? 427 HOH A O   1 
HETATM 3878 O O   . HOH I 3 .   ? -7.271  -16.399 25.524  1.00 44.42 ? 428 HOH A O   1 
HETATM 3879 O O   . HOH I 3 .   ? 17.411  -19.067 -1.024  1.00 24.98 ? 429 HOH A O   1 
HETATM 3880 O O   . HOH I 3 .   ? 4.973   9.244   5.793   1.00 43.62 ? 430 HOH A O   1 
HETATM 3881 O O   . HOH I 3 .   ? -4.100  7.773   7.339   1.00 31.55 ? 431 HOH A O   1 
HETATM 3882 O O   . HOH I 3 .   ? -4.241  5.152   7.657   1.00 29.32 ? 432 HOH A O   1 
HETATM 3883 O O   . HOH I 3 .   ? -14.355 -18.517 6.217   1.00 44.69 ? 433 HOH A O   1 
HETATM 3884 O O   . HOH I 3 .   ? -9.779  1.822   2.820   1.00 37.63 ? 434 HOH A O   1 
HETATM 3885 O O   . HOH I 3 .   ? 15.596  -22.821 19.729  1.00 38.23 ? 435 HOH A O   1 
HETATM 3886 O O   . HOH I 3 .   ? 4.454   12.012  5.706   1.00 39.77 ? 436 HOH A O   1 
HETATM 3887 O O   . HOH I 3 .   ? -7.963  9.407   6.782   1.00 49.01 ? 437 HOH A O   1 
HETATM 3888 O O   . HOH I 3 .   ? 2.924   12.556  -3.208  1.00 44.65 ? 438 HOH A O   1 
HETATM 3889 O O   . HOH I 3 .   ? 0.405   9.352   -2.183  1.00 45.75 ? 439 HOH A O   1 
HETATM 3890 O O   . HOH I 3 .   ? 2.215   -23.788 -2.358  1.00 41.91 ? 440 HOH A O   1 
HETATM 3891 O O   . HOH I 3 .   ? -6.144  7.953   5.599   1.00 31.58 ? 441 HOH A O   1 
HETATM 3892 O O   . HOH I 3 .   ? -6.896  -17.473 0.534   1.00 32.21 ? 442 HOH A O   1 
HETATM 3893 O O   . HOH I 3 .   ? -8.877  -1.459  11.726  1.00 39.21 ? 443 HOH A O   1 
HETATM 3894 O O   . HOH I 3 .   ? -12.936 0.946   0.466   1.00 45.70 ? 444 HOH A O   1 
HETATM 3895 O O   . HOH I 3 .   ? 25.731  -19.057 14.138  1.00 43.03 ? 445 HOH A O   1 
HETATM 3896 O O   . HOH I 3 .   ? -5.748  -25.255 4.795   1.00 37.77 ? 446 HOH A O   1 
HETATM 3897 O O   . HOH I 3 .   ? -1.524  -26.288 4.820   1.00 41.12 ? 447 HOH A O   1 
HETATM 3898 O O   . HOH I 3 .   ? -5.907  -27.940 11.911  1.00 46.70 ? 448 HOH A O   1 
HETATM 3899 O O   . HOH I 3 .   ? 0.720   -26.024 0.139   1.00 37.51 ? 449 HOH A O   1 
HETATM 3900 O O   . HOH I 3 .   ? -10.173 -17.343 19.512  1.00 42.84 ? 450 HOH A O   1 
HETATM 3901 O O   . HOH I 3 .   ? 6.927   -28.289 1.679   1.00 39.09 ? 451 HOH A O   1 
HETATM 3902 O O   . HOH I 3 .   ? -1.682  -22.178 0.274   1.00 42.80 ? 452 HOH A O   1 
HETATM 3903 O O   . HOH I 3 .   ? -6.447  4.670   6.456   1.00 41.10 ? 453 HOH A O   1 
HETATM 3904 O O   . HOH I 3 .   ? -4.951  15.411  0.141   1.00 39.11 ? 454 HOH A O   1 
HETATM 3905 O O   . HOH I 3 .   ? -6.058  -23.049 1.403   1.00 40.61 ? 455 HOH A O   1 
HETATM 3906 O O   . HOH I 3 .   ? -1.424  -29.073 10.597  1.00 39.94 ? 456 HOH A O   1 
HETATM 3907 O O   . HOH I 3 .   ? -11.513 3.635   -0.483  1.00 54.05 ? 457 HOH A O   1 
HETATM 3908 O O   . HOH I 3 .   ? -6.532  -26.516 7.148   1.00 45.62 ? 458 HOH A O   1 
HETATM 3909 O O   . HOH I 3 .   ? 6.439   -22.958 -1.748  1.00 37.67 ? 459 HOH A O   1 
HETATM 3910 O O   . HOH I 3 .   ? 9.457   -18.676 -4.071  1.00 39.30 ? 460 HOH A O   1 
HETATM 3911 O O   . HOH I 3 .   ? 19.197  -26.979 11.889  1.00 44.89 ? 461 HOH A O   1 
HETATM 3912 O O   . HOH I 3 .   ? 16.754  -24.995 14.943  1.00 29.99 ? 462 HOH A O   1 
HETATM 3913 O O   . HOH I 3 .   ? -4.791  4.045   11.949  1.00 27.76 ? 463 HOH A O   1 
HETATM 3914 O O   . HOH I 3 .   ? -7.886  -24.434 10.716  1.00 33.43 ? 464 HOH A O   1 
HETATM 3915 O O   . HOH I 3 .   ? 7.235   14.397  4.120   1.00 44.45 ? 465 HOH A O   1 
HETATM 3916 O O   . HOH I 3 .   ? -2.763  -23.467 2.969   1.00 44.37 ? 466 HOH A O   1 
HETATM 3917 O O   . HOH I 3 .   ? 14.953  -26.131 12.859  1.00 33.97 ? 467 HOH A O   1 
HETATM 3918 O O   . HOH I 3 .   ? 16.726  -26.826 10.499  1.00 48.13 ? 468 HOH A O   1 
HETATM 3919 O O   . HOH I 3 .   ? -8.727  -19.308 0.784   1.00 39.42 ? 469 HOH A O   1 
HETATM 3920 O O   . HOH I 3 .   ? -5.190  -19.078 -0.704  1.00 37.57 ? 470 HOH A O   1 
HETATM 3921 O O   . HOH I 3 .   ? 0.574   -28.909 6.646   1.00 46.36 ? 471 HOH A O   1 
HETATM 3922 O O   . HOH I 3 .   ? -1.447  -18.857 -2.489  1.00 36.99 ? 472 HOH A O   1 
HETATM 3923 O O   . HOH I 3 .   ? -4.477  17.476  5.330   1.00 40.01 ? 473 HOH A O   1 
HETATM 3924 O O   . HOH I 3 .   ? 5.755   -29.611 3.122   1.00 39.23 ? 474 HOH A O   1 
HETATM 3925 O O   . HOH I 3 .   ? 0.858   14.632  -3.044  1.00 47.64 ? 475 HOH A O   1 
HETATM 3926 O O   . HOH I 3 .   ? 2.254   -18.775 -2.959  1.00 30.32 ? 476 HOH A O   1 
HETATM 3927 O O   . HOH I 3 .   ? -10.012 -15.657 24.627  1.00 60.53 ? 477 HOH A O   1 
HETATM 3928 O O   . HOH I 3 .   ? 1.679   -21.238 -3.832  1.00 41.45 ? 478 HOH A O   1 
HETATM 3929 O O   . HOH I 3 .   ? -9.227  1.768   8.951   1.00 46.58 ? 479 HOH A O   1 
HETATM 3930 O O   . HOH I 3 .   ? 6.481   -20.886 -3.622  1.00 35.76 ? 480 HOH A O   1 
HETATM 3931 O O   . HOH I 3 .   ? -11.053 -18.756 -0.576  1.00 54.21 ? 481 HOH A O   1 
HETATM 3932 O O   . HOH I 3 .   ? -11.638 -5.311  -7.062  1.00 43.49 ? 482 HOH A O   1 
HETATM 3933 O O   . HOH I 3 .   ? -5.494  -21.601 -0.450  1.00 41.79 ? 483 HOH A O   1 
HETATM 3934 O O   . HOH I 3 .   ? -7.011  -16.982 -3.402  1.00 45.48 ? 484 HOH A O   1 
HETATM 3935 O O   . HOH I 3 .   ? -9.722  7.448   7.814   1.00 55.37 ? 485 HOH A O   1 
HETATM 3936 O O   . HOH I 3 .   ? -4.415  18.701  2.965   1.00 35.96 ? 486 HOH A O   1 
HETATM 3937 O O   . HOH J 3 .   ? 21.395  -1.016  21.967  1.00 37.40 ? 301 HOH B O   1 
HETATM 3938 O O   . HOH J 3 .   ? -3.682  6.372   37.211  1.00 40.14 ? 302 HOH B O   1 
HETATM 3939 O O   . HOH J 3 .   ? 3.681   7.556   23.923  0.50 14.13 ? 303 HOH B O   1 
HETATM 3940 O O   . HOH J 3 .   ? 20.361  -0.804  35.918  1.00 47.03 ? 304 HOH B O   1 
HETATM 3941 O O   . HOH J 3 .   ? 6.255   -4.170  19.937  1.00 34.04 ? 305 HOH B O   1 
HETATM 3942 O O   . HOH J 3 .   ? -2.924  7.079   41.855  1.00 52.88 ? 306 HOH B O   1 
HETATM 3943 O O   . HOH J 3 .   ? -3.913  17.048  37.861  1.00 23.13 ? 307 HOH B O   1 
HETATM 3944 O O   . HOH J 3 .   ? -6.640  3.582   38.200  1.00 48.13 ? 308 HOH B O   1 
HETATM 3945 O O   . HOH J 3 .   ? 14.066  2.287   39.623  1.00 43.13 ? 309 HOH B O   1 
HETATM 3946 O O   . HOH J 3 .   ? -1.062  -6.670  29.214  1.00 36.62 ? 310 HOH B O   1 
HETATM 3947 O O   . HOH J 3 .   ? 23.571  9.748   11.581  1.00 40.09 ? 311 HOH B O   1 
HETATM 3948 O O   . HOH J 3 .   ? 10.345  11.389  27.815  1.00 12.96 ? 312 HOH B O   1 
HETATM 3949 O O   . HOH J 3 .   ? 4.052   -2.169  43.016  1.00 25.68 ? 313 HOH B O   1 
HETATM 3950 O O   . HOH J 3 .   ? 0.874   2.230   40.877  1.00 29.35 ? 314 HOH B O   1 
HETATM 3951 O O   . HOH J 3 .   ? 12.631  -5.605  27.231  1.00 40.46 ? 315 HOH B O   1 
HETATM 3952 O O   . HOH J 3 .   ? 14.855  10.629  38.998  1.00 35.43 ? 316 HOH B O   1 
HETATM 3953 O O   . HOH J 3 .   ? -0.515  -5.411  38.451  1.00 25.58 ? 317 HOH B O   1 
HETATM 3954 O O   . HOH J 3 .   ? 12.968  12.366  36.702  1.00 30.58 ? 318 HOH B O   1 
HETATM 3955 O O   . HOH J 3 .   ? 6.923   19.208  35.553  1.00 36.49 ? 319 HOH B O   1 
HETATM 3956 O O   . HOH J 3 .   ? 5.084   17.654  38.605  1.00 31.36 ? 320 HOH B O   1 
HETATM 3957 O O   . HOH J 3 .   ? 8.623   15.107  33.453  1.00 21.71 ? 321 HOH B O   1 
HETATM 3958 O O   . HOH J 3 .   ? -4.877  -4.217  33.292  1.00 39.07 ? 322 HOH B O   1 
HETATM 3959 O O   . HOH J 3 .   ? 24.622  2.126   30.909  1.00 25.71 ? 323 HOH B O   1 
HETATM 3960 O O   . HOH J 3 .   ? 10.129  11.313  41.128  1.00 34.37 ? 324 HOH B O   1 
HETATM 3961 O O   . HOH J 3 .   ? 20.407  0.533   19.726  1.00 18.18 ? 325 HOH B O   1 
HETATM 3962 O O   . HOH J 3 .   ? 18.366  9.096   31.763  1.00 14.88 ? 326 HOH B O   1 
HETATM 3963 O O   . HOH J 3 .   ? 29.389  2.540   25.817  1.00 36.11 ? 327 HOH B O   1 
HETATM 3964 O O   . HOH J 3 .   ? 14.390  -6.041  19.652  1.00 30.72 ? 328 HOH B O   1 
HETATM 3965 O O   . HOH J 3 .   ? 15.631  6.114   15.743  1.00 18.97 ? 329 HOH B O   1 
HETATM 3966 O O   . HOH J 3 .   ? -3.260  12.874  37.865  1.00 34.50 ? 330 HOH B O   1 
HETATM 3967 O O   . HOH J 3 .   ? -10.109 11.903  33.790  1.00 36.32 ? 331 HOH B O   1 
HETATM 3968 O O   . HOH J 3 .   ? 6.388   13.481  38.515  1.00 21.05 ? 332 HOH B O   1 
HETATM 3969 O O   . HOH J 3 .   ? -1.301  15.695  30.452  1.00 17.99 ? 333 HOH B O   1 
HETATM 3970 O O   . HOH J 3 .   ? 23.762  7.295   27.011  1.00 17.30 ? 334 HOH B O   1 
HETATM 3971 O O   . HOH J 3 .   ? 23.380  4.316   7.491   1.00 27.90 ? 335 HOH B O   1 
HETATM 3972 O O   . HOH J 3 .   ? -5.053  14.684  37.057  1.00 28.49 ? 336 HOH B O   1 
HETATM 3973 O O   . HOH J 3 .   ? -4.862  7.197   34.802  1.00 22.89 ? 337 HOH B O   1 
HETATM 3974 O O   . HOH J 3 .   ? -0.812  4.786   42.785  1.00 41.56 ? 338 HOH B O   1 
HETATM 3975 O O   . HOH J 3 .   ? -5.309  8.791   27.517  1.00 15.96 ? 339 HOH B O   1 
HETATM 3976 O O   . HOH J 3 .   ? 31.607  4.242   10.662  1.00 39.83 ? 340 HOH B O   1 
HETATM 3977 O O   . HOH J 3 .   ? -11.237 4.752   31.234  1.00 26.29 ? 341 HOH B O   1 
HETATM 3978 O O   . HOH J 3 .   ? 15.425  -4.470  38.450  1.00 36.14 ? 342 HOH B O   1 
HETATM 3979 O O   . HOH J 3 .   ? 4.698   -6.948  25.727  1.00 31.78 ? 343 HOH B O   1 
HETATM 3980 O O   . HOH J 3 .   ? -7.505  4.902   31.973  1.00 19.93 ? 344 HOH B O   1 
HETATM 3981 O O   . HOH J 3 .   ? 3.331   -4.481  25.321  1.00 34.14 ? 345 HOH B O   1 
HETATM 3982 O O   . HOH J 3 .   ? 7.470   6.200   42.898  1.00 32.23 ? 346 HOH B O   1 
HETATM 3983 O O   . HOH J 3 .   ? 5.291   -8.023  33.578  1.00 38.44 ? 347 HOH B O   1 
HETATM 3984 O O   . HOH J 3 .   ? -17.476 9.264   30.598  1.00 47.36 ? 348 HOH B O   1 
HETATM 3985 O O   . HOH J 3 .   ? -12.632 7.964   24.847  1.00 30.82 ? 349 HOH B O   1 
HETATM 3986 O O   . HOH J 3 .   ? 23.939  -2.638  25.870  1.00 46.24 ? 350 HOH B O   1 
HETATM 3987 O O   . HOH J 3 .   ? 19.537  7.066   13.646  1.00 26.00 ? 351 HOH B O   1 
HETATM 3988 O O   . HOH J 3 .   ? 20.836  8.564   35.093  1.00 19.01 ? 352 HOH B O   1 
HETATM 3989 O O   . HOH J 3 .   ? -8.053  7.958   27.702  1.00 18.85 ? 353 HOH B O   1 
HETATM 3990 O O   . HOH J 3 .   ? -11.292 13.733  30.187  1.00 44.94 ? 354 HOH B O   1 
HETATM 3991 O O   . HOH J 3 .   ? 22.685  5.342   39.789  1.00 35.42 ? 355 HOH B O   1 
HETATM 3992 O O   . HOH J 3 .   ? 10.626  -7.280  36.924  1.00 33.45 ? 356 HOH B O   1 
HETATM 3993 O O   . HOH J 3 .   ? 2.665   0.379   41.122  1.00 38.67 ? 357 HOH B O   1 
HETATM 3994 O O   . HOH J 3 .   ? 6.915   17.110  32.797  1.00 26.31 ? 358 HOH B O   1 
HETATM 3995 O O   . HOH J 3 .   ? 24.343  7.539   39.019  1.00 32.89 ? 359 HOH B O   1 
HETATM 3996 O O   . HOH J 3 .   ? -3.471  -1.944  26.611  1.00 32.77 ? 360 HOH B O   1 
HETATM 3997 O O   . HOH J 3 .   ? 21.368  -0.837  17.538  1.00 23.65 ? 361 HOH B O   1 
HETATM 3998 O O   . HOH J 3 .   ? 24.975  3.094   5.577   1.00 34.02 ? 362 HOH B O   1 
HETATM 3999 O O   . HOH J 3 .   ? 21.230  10.120  31.961  1.00 23.71 ? 363 HOH B O   1 
HETATM 4000 O O   . HOH J 3 .   ? -1.013  10.783  40.499  1.00 34.54 ? 364 HOH B O   1 
HETATM 4001 O O   . HOH J 3 .   ? 10.467  -6.998  23.023  1.00 23.35 ? 365 HOH B O   1 
HETATM 4002 O O   . HOH J 3 .   ? 28.823  3.733   14.712  1.00 27.50 ? 366 HOH B O   1 
HETATM 4003 O O   . HOH J 3 .   ? 1.094   -0.548  24.098  1.00 27.58 ? 367 HOH B O   1 
HETATM 4004 O O   . HOH J 3 .   ? 26.297  3.589   21.207  1.00 29.72 ? 368 HOH B O   1 
HETATM 4005 O O   . HOH J 3 .   ? -4.288  9.998   34.517  1.00 22.83 ? 369 HOH B O   1 
HETATM 4006 O O   . HOH J 3 .   ? 15.199  14.909  33.295  1.00 24.74 ? 370 HOH B O   1 
HETATM 4007 O O   . HOH J 3 .   ? 0.322   17.166  28.686  1.00 17.86 ? 371 HOH B O   1 
HETATM 4008 O O   . HOH J 3 .   ? -0.987  7.873   40.265  1.00 27.12 ? 372 HOH B O   1 
HETATM 4009 O O   . HOH J 3 .   ? -7.382  2.415   33.031  1.00 37.79 ? 373 HOH B O   1 
HETATM 4010 O O   . HOH J 3 .   ? 3.995   20.300  33.224  1.00 27.93 ? 374 HOH B O   1 
HETATM 4011 O O   . HOH J 3 .   ? 28.261  6.303   20.484  1.00 20.98 ? 375 HOH B O   1 
HETATM 4012 O O   . HOH J 3 .   ? -8.519  0.717   30.758  1.00 42.29 ? 376 HOH B O   1 
HETATM 4013 O O   . HOH J 3 .   ? 2.060   16.497  41.834  1.00 30.85 ? 377 HOH B O   1 
HETATM 4014 O O   . HOH J 3 .   ? 29.735  2.006   30.168  1.00 25.64 ? 378 HOH B O   1 
HETATM 4015 O O   . HOH J 3 .   ? 20.839  8.976   9.320   1.00 37.22 ? 379 HOH B O   1 
HETATM 4016 O O   . HOH J 3 .   ? -18.026 8.040   32.862  1.00 28.63 ? 380 HOH B O   1 
HETATM 4017 O O   . HOH J 3 .   ? 29.972  7.636   8.667   1.00 33.71 ? 381 HOH B O   1 
HETATM 4018 O O   . HOH J 3 .   ? -4.159  -3.184  41.328  1.00 40.41 ? 382 HOH B O   1 
HETATM 4019 O O   . HOH J 3 .   ? 9.529   8.411   41.815  1.00 40.75 ? 383 HOH B O   1 
HETATM 4020 O O   . HOH J 3 .   ? -2.821  -4.723  40.304  1.00 37.68 ? 384 HOH B O   1 
HETATM 4021 O O   . HOH J 3 .   ? -3.927  -4.859  30.307  1.00 34.22 ? 385 HOH B O   1 
HETATM 4022 O O   . HOH J 3 .   ? -5.736  11.324  36.157  1.00 38.90 ? 386 HOH B O   1 
HETATM 4023 O O   . HOH J 3 .   ? 5.953   -8.288  27.540  1.00 44.90 ? 387 HOH B O   1 
HETATM 4024 O O   . HOH J 3 .   ? -1.198  18.188  31.781  1.00 23.13 ? 388 HOH B O   1 
HETATM 4025 O O   . HOH J 3 .   ? 9.300   -9.521  19.727  1.00 31.51 ? 389 HOH B O   1 
HETATM 4026 O O   . HOH J 3 .   ? 0.703   -9.476  37.702  1.00 46.67 ? 390 HOH B O   1 
HETATM 4027 O O   . HOH J 3 .   ? 17.531  3.651   11.244  1.00 41.21 ? 391 HOH B O   1 
HETATM 4028 O O   . HOH J 3 .   ? 8.105   -11.429 21.570  1.00 34.44 ? 392 HOH B O   1 
HETATM 4029 O O   . HOH J 3 .   ? 0.195   20.337  30.422  1.00 23.31 ? 393 HOH B O   1 
HETATM 4030 O O   . HOH J 3 .   ? 24.783  10.729  35.689  1.00 41.67 ? 394 HOH B O   1 
HETATM 4031 O O   . HOH J 3 .   ? 28.567  2.563   22.907  1.00 33.66 ? 395 HOH B O   1 
HETATM 4032 O O   . HOH J 3 .   ? 11.670  -6.924  25.427  1.00 37.68 ? 396 HOH B O   1 
HETATM 4033 O O   . HOH J 3 .   ? 23.971  0.578   16.890  1.00 31.41 ? 397 HOH B O   1 
HETATM 4034 O O   . HOH J 3 .   ? 1.742   21.382  32.418  1.00 24.70 ? 398 HOH B O   1 
HETATM 4035 O O   . HOH J 3 .   ? -9.207  6.435   33.746  1.00 36.51 ? 399 HOH B O   1 
HETATM 4036 O O   . HOH J 3 .   ? -15.069 2.764   33.081  1.00 38.51 ? 400 HOH B O   1 
HETATM 4037 O O   . HOH J 3 .   ? -2.788  8.919   37.840  1.00 44.43 ? 401 HOH B O   1 
HETATM 4038 O O   . HOH J 3 .   ? 10.546  16.353  35.074  1.00 27.40 ? 402 HOH B O   1 
HETATM 4039 O O   . HOH J 3 .   ? 2.526   19.424  39.660  1.00 43.96 ? 403 HOH B O   1 
HETATM 4040 O O   . HOH J 3 .   ? 21.240  8.343   37.832  1.00 37.55 ? 404 HOH B O   1 
HETATM 4041 O O   . HOH J 3 .   ? 20.893  5.178   7.102   1.00 40.93 ? 405 HOH B O   1 
HETATM 4042 O O   . HOH J 3 .   ? 18.901  7.648   39.089  1.00 34.97 ? 406 HOH B O   1 
HETATM 4043 O O   . HOH J 3 .   ? 19.198  5.932   9.052   1.00 48.71 ? 407 HOH B O   1 
HETATM 4044 O O   . HOH J 3 .   ? -15.791 0.966   31.833  1.00 34.15 ? 408 HOH B O   1 
HETATM 4045 O O   . HOH J 3 .   ? 27.331  1.335   15.595  1.00 43.84 ? 409 HOH B O   1 
HETATM 4046 O O   . HOH J 3 .   ? 12.692  11.250  40.857  1.00 33.52 ? 410 HOH B O   1 
HETATM 4047 O O   . HOH J 3 .   ? 2.248   -8.855  25.443  1.00 36.48 ? 411 HOH B O   1 
HETATM 4048 O O   . HOH J 3 .   ? 27.465  0.365   29.352  1.00 41.37 ? 412 HOH B O   1 
HETATM 4049 O O   . HOH J 3 .   ? -1.701  -2.419  24.783  1.00 49.67 ? 413 HOH B O   1 
HETATM 4050 O O   . HOH J 3 .   ? 32.171  6.181   9.335   1.00 42.07 ? 414 HOH B O   1 
HETATM 4051 O O   . HOH J 3 .   ? 9.493   16.156  40.386  1.00 39.59 ? 415 HOH B O   1 
HETATM 4052 O O   . HOH J 3 .   ? 12.501  15.400  36.534  1.00 35.42 ? 416 HOH B O   1 
HETATM 4053 O O   . HOH J 3 .   ? -14.068 12.464  30.055  1.00 43.23 ? 417 HOH B O   1 
HETATM 4054 O O   . HOH J 3 .   ? 2.300   -11.087 35.291  1.00 45.03 ? 418 HOH B O   1 
HETATM 4055 O O   . HOH J 3 .   ? 7.280   16.241  38.553  1.00 32.57 ? 419 HOH B O   1 
HETATM 4056 O O   . HOH J 3 .   ? 3.494   14.378  42.635  1.00 38.83 ? 420 HOH B O   1 
HETATM 4057 O O   . HOH J 3 .   ? 22.066  -3.434  17.721  1.00 32.97 ? 421 HOH B O   1 
HETATM 4058 O O   . HOH J 3 .   ? 5.770   14.638  41.318  1.00 41.57 ? 422 HOH B O   1 
HETATM 4059 O O   . HOH J 3 .   ? -7.404  6.941   35.942  1.00 38.85 ? 423 HOH B O   1 
HETATM 4060 O O   . HOH J 3 .   ? 26.342  4.483   3.990   1.00 46.91 ? 424 HOH B O   1 
HETATM 4061 O O   . HOH J 3 .   ? 15.432  12.710  38.424  1.00 51.61 ? 425 HOH B O   1 
HETATM 4062 O O   . HOH J 3 .   ? 6.055   22.100  32.623  1.00 31.32 ? 426 HOH B O   1 
HETATM 4063 O O   . HOH J 3 .   ? -7.385  14.694  38.745  1.00 38.52 ? 427 HOH B O   1 
HETATM 4064 O O   . HOH J 3 .   ? -16.082 -0.975  25.874  1.00 58.78 ? 428 HOH B O   1 
HETATM 4065 O O   . HOH J 3 .   ? 17.427  9.849   40.263  1.00 47.02 ? 429 HOH B O   1 
HETATM 4066 O O   . HOH J 3 .   ? 8.858   17.673  36.747  1.00 25.99 ? 430 HOH B O   1 
HETATM 4067 O O   . HOH J 3 .   ? 1.035   17.385  44.008  1.00 39.17 ? 431 HOH B O   1 
HETATM 4068 O O   . HOH J 3 .   ? 9.367   21.126  36.865  1.00 53.46 ? 432 HOH B O   1 
HETATM 4069 O O   . HOH J 3 .   ? 2.303   23.810  31.721  1.00 39.00 ? 433 HOH B O   1 
HETATM 4070 O O   . HOH J 3 .   ? 18.923  12.272  39.671  1.00 48.95 ? 434 HOH B O   1 
HETATM 4071 O O   . HOH J 3 .   ? 10.545  19.299  37.872  1.00 36.71 ? 435 HOH B O   1 
HETATM 4072 O O   . HOH K 3 .   ? 13.611  20.859  8.830   1.00 42.65 ? 301 HOH C O   1 
HETATM 4073 O O   . HOH K 3 .   ? -3.730  20.944  30.228  1.00 48.64 ? 302 HOH C O   1 
HETATM 4074 O O   . HOH K 3 .   ? 24.011  17.008  10.413  1.00 46.48 ? 303 HOH C O   1 
HETATM 4075 O O   . HOH K 3 .   ? -4.282  17.652  21.426  1.00 27.83 ? 304 HOH C O   1 
HETATM 4076 O O   . HOH K 3 .   ? 26.246  18.131  31.418  1.00 38.57 ? 305 HOH C O   1 
HETATM 4077 O O   . HOH K 3 .   ? 15.508  7.058   22.619  1.00 22.71 ? 306 HOH C O   1 
HETATM 4078 O O   . HOH K 3 .   ? 26.166  19.331  8.058   1.00 46.90 ? 307 HOH C O   1 
HETATM 4079 O O   . HOH K 3 .   ? 0.254   21.974  18.092  1.00 34.29 ? 308 HOH C O   1 
HETATM 4080 O O   . HOH K 3 .   ? 22.704  24.739  21.221  1.00 36.56 ? 309 HOH C O   1 
HETATM 4081 O O   . HOH K 3 .   ? 6.939   28.870  18.003  1.00 32.93 ? 310 HOH C O   1 
HETATM 4082 O O   . HOH K 3 .   ? 30.319  4.397   16.843  1.00 43.04 ? 311 HOH C O   1 
HETATM 4083 O O   . HOH K 3 .   ? -10.874 -2.026  13.359  1.00 42.51 ? 312 HOH C O   1 
HETATM 4084 O O   . HOH K 3 .   ? -14.063 -1.613  22.651  1.00 52.02 ? 313 HOH C O   1 
HETATM 4085 O O   . HOH K 3 .   ? -7.637  7.845   22.930  1.00 28.49 ? 314 HOH C O   1 
HETATM 4086 O O   . HOH K 3 .   ? 31.877  13.550  25.498  1.00 34.83 ? 315 HOH C O   1 
HETATM 4087 O O   . HOH K 3 .   ? 8.913   27.162  24.212  1.00 32.78 ? 316 HOH C O   1 
HETATM 4088 O O   . HOH K 3 .   ? 20.032  22.400  10.830  1.00 29.86 ? 317 HOH C O   1 
HETATM 4089 O O   . HOH K 3 .   ? 13.557  16.441  31.667  1.00 23.02 ? 318 HOH C O   1 
HETATM 4090 O O   . HOH K 3 .   ? 24.779  15.097  33.166  1.00 43.79 ? 319 HOH C O   1 
HETATM 4091 O O   . HOH K 3 .   ? 16.112  27.270  14.276  1.00 25.40 ? 320 HOH C O   1 
HETATM 4092 O O   . HOH K 3 .   ? 37.761  9.033   21.149  1.00 36.36 ? 321 HOH C O   1 
HETATM 4093 O O   . HOH K 3 .   ? 4.919   24.316  13.890  1.00 37.76 ? 322 HOH C O   1 
HETATM 4094 O O   . HOH K 3 .   ? 2.865   16.704  27.346  1.00 14.98 ? 323 HOH C O   1 
HETATM 4095 O O   . HOH K 3 .   ? 13.059  24.425  28.550  1.00 33.90 ? 324 HOH C O   1 
HETATM 4096 O O   . HOH K 3 .   ? 9.426   20.782  29.751  1.00 27.37 ? 325 HOH C O   1 
HETATM 4097 O O   . HOH K 3 .   ? 9.458   29.282  14.765  1.00 33.51 ? 326 HOH C O   1 
HETATM 4098 O O   . HOH K 3 .   ? 2.549   19.719  7.122   1.00 48.14 ? 327 HOH C O   1 
HETATM 4099 O O   . HOH K 3 .   ? 15.056  28.222  20.958  1.00 29.44 ? 328 HOH C O   1 
HETATM 4100 O O   . HOH K 3 .   ? 15.997  17.149  35.302  1.00 31.04 ? 329 HOH C O   1 
HETATM 4101 O O   . HOH K 3 .   ? 22.820  11.791  30.331  1.00 18.68 ? 330 HOH C O   1 
HETATM 4102 O O   . HOH K 3 .   ? 27.807  12.278  14.204  1.00 44.40 ? 331 HOH C O   1 
HETATM 4103 O O   . HOH K 3 .   ? 31.082  11.961  18.406  1.00 26.89 ? 332 HOH C O   1 
HETATM 4104 O O   . HOH K 3 .   ? -3.750  15.625  10.726  1.00 41.08 ? 333 HOH C O   1 
HETATM 4105 O O   . HOH K 3 .   ? 14.089  29.307  14.470  1.00 32.88 ? 334 HOH C O   1 
HETATM 4106 O O   . HOH K 3 .   ? 11.807  29.704  18.856  1.00 29.71 ? 335 HOH C O   1 
HETATM 4107 O O   . HOH K 3 .   ? 27.623  13.512  19.114  1.00 23.23 ? 336 HOH C O   1 
HETATM 4108 O O   . HOH K 3 .   ? -7.635  19.812  27.728  1.00 42.33 ? 337 HOH C O   1 
HETATM 4109 O O   . HOH K 3 .   ? 25.081  9.015   22.657  1.00 15.93 ? 338 HOH C O   1 
HETATM 4110 O O   . HOH K 3 .   ? 31.013  10.619  12.077  1.00 42.68 ? 339 HOH C O   1 
HETATM 4111 O O   . HOH K 3 .   ? 25.719  16.369  22.001  1.00 22.10 ? 340 HOH C O   1 
HETATM 4112 O O   . HOH K 3 .   ? -1.414  -0.406  23.678  1.00 29.58 ? 341 HOH C O   1 
HETATM 4113 O O   . HOH K 3 .   ? -2.410  6.244   17.983  1.00 15.69 ? 342 HOH C O   1 
HETATM 4114 O O   . HOH K 3 .   ? 7.198   27.862  14.190  1.00 28.87 ? 343 HOH C O   1 
HETATM 4115 O O   . HOH K 3 .   ? 2.467   1.063   22.366  1.00 17.79 ? 344 HOH C O   1 
HETATM 4116 O O   . HOH K 3 .   ? 7.154   24.548  20.404  1.00 25.64 ? 345 HOH C O   1 
HETATM 4117 O O   . HOH K 3 .   ? 6.394   28.461  25.785  1.00 44.40 ? 346 HOH C O   1 
HETATM 4118 O O   . HOH K 3 .   ? 5.339   12.705  11.381  1.00 39.38 ? 347 HOH C O   1 
HETATM 4119 O O   . HOH K 3 .   ? 7.654   23.409  28.753  1.00 32.03 ? 348 HOH C O   1 
HETATM 4120 O O   . HOH K 3 .   ? -0.492  25.849  24.730  1.00 33.53 ? 349 HOH C O   1 
HETATM 4121 O O   . HOH K 3 .   ? 31.958  9.805   27.214  1.00 48.34 ? 350 HOH C O   1 
HETATM 4122 O O   . HOH K 3 .   ? 31.526  14.178  21.321  1.00 36.07 ? 351 HOH C O   1 
HETATM 4123 O O   . HOH K 3 .   ? -10.763 -4.002  17.224  1.00 30.44 ? 352 HOH C O   1 
HETATM 4124 O O   . HOH K 3 .   ? 0.950   20.466  27.551  1.00 18.74 ? 353 HOH C O   1 
HETATM 4125 O O   . HOH K 3 .   ? -3.931  4.312   16.688  1.00 21.86 ? 354 HOH C O   1 
HETATM 4126 O O   . HOH K 3 .   ? 27.737  8.855   21.411  1.00 20.27 ? 355 HOH C O   1 
HETATM 4127 O O   . HOH K 3 .   ? -6.638  -5.801  21.168  1.00 22.13 ? 356 HOH C O   1 
HETATM 4128 O O   . HOH K 3 .   ? -6.077  2.650   14.824  1.00 29.83 ? 357 HOH C O   1 
HETATM 4129 O O   . HOH K 3 .   ? -3.419  13.110  25.961  1.00 16.14 ? 358 HOH C O   1 
HETATM 4130 O O   . HOH K 3 .   ? -11.050 -2.490  28.023  1.00 40.18 ? 359 HOH C O   1 
HETATM 4131 O O   . HOH K 3 .   ? 16.760  22.021  6.426   1.00 42.37 ? 360 HOH C O   1 
HETATM 4132 O O   . HOH K 3 .   ? 18.910  20.962  33.914  1.00 38.91 ? 361 HOH C O   1 
HETATM 4133 O O   . HOH K 3 .   ? 25.621  15.810  24.736  1.00 21.34 ? 362 HOH C O   1 
HETATM 4134 O O   . HOH K 3 .   ? 25.757  18.363  28.694  1.00 41.99 ? 363 HOH C O   1 
HETATM 4135 O O   . HOH K 3 .   ? 16.490  21.130  30.129  1.00 24.13 ? 364 HOH C O   1 
HETATM 4136 O O   . HOH K 3 .   ? 22.521  24.698  26.154  1.00 43.59 ? 365 HOH C O   1 
HETATM 4137 O O   . HOH K 3 .   ? -5.982  9.605   19.837  1.00 35.70 ? 366 HOH C O   1 
HETATM 4138 O O   . HOH K 3 .   ? 22.753  22.071  23.792  1.00 32.56 ? 367 HOH C O   1 
HETATM 4139 O O   . HOH K 3 .   ? 13.130  24.979  25.819  1.00 27.83 ? 368 HOH C O   1 
HETATM 4140 O O   . HOH K 3 .   ? 13.239  18.418  8.280   1.00 38.17 ? 369 HOH C O   1 
HETATM 4141 O O   . HOH K 3 .   ? 15.761  26.593  23.304  1.00 28.13 ? 370 HOH C O   1 
HETATM 4142 O O   . HOH K 3 .   ? -10.957 15.821  24.729  1.00 40.41 ? 371 HOH C O   1 
HETATM 4143 O O   . HOH K 3 .   ? -8.721  -7.502  20.208  1.00 30.34 ? 372 HOH C O   1 
HETATM 4144 O O   . HOH K 3 .   ? 17.937  27.529  17.627  1.00 32.27 ? 373 HOH C O   1 
HETATM 4145 O O   . HOH K 3 .   ? 14.468  10.107  10.851  1.00 23.56 ? 374 HOH C O   1 
HETATM 4146 O O   . HOH K 3 .   ? 8.593   10.885  7.344   1.00 37.63 ? 375 HOH C O   1 
HETATM 4147 O O   . HOH K 3 .   ? 27.431  14.663  16.376  1.00 36.87 ? 376 HOH C O   1 
HETATM 4148 O O   . HOH K 3 .   ? 21.185  24.363  29.081  1.00 38.67 ? 377 HOH C O   1 
HETATM 4149 O O   . HOH K 3 .   ? 13.497  28.774  8.523   1.00 33.74 ? 378 HOH C O   1 
HETATM 4150 O O   . HOH K 3 .   ? -1.986  25.069  27.195  1.00 30.22 ? 379 HOH C O   1 
HETATM 4151 O O   . HOH K 3 .   ? 38.634  11.913  20.009  1.00 34.77 ? 380 HOH C O   1 
HETATM 4152 O O   . HOH K 3 .   ? 21.157  9.301   12.280  1.00 33.54 ? 381 HOH C O   1 
HETATM 4153 O O   . HOH K 3 .   ? 21.733  12.789  9.068   1.00 53.12 ? 382 HOH C O   1 
HETATM 4154 O O   . HOH K 3 .   ? -8.994  16.913  29.060  1.00 41.62 ? 383 HOH C O   1 
HETATM 4155 O O   . HOH K 3 .   ? 34.894  7.775   22.060  1.00 36.71 ? 384 HOH C O   1 
HETATM 4156 O O   . HOH K 3 .   ? -10.991 1.985   22.029  1.00 27.45 ? 385 HOH C O   1 
HETATM 4157 O O   . HOH K 3 .   ? -12.364 -4.083  25.575  1.00 30.57 ? 386 HOH C O   1 
HETATM 4158 O O   . HOH K 3 .   ? 17.099  7.710   14.274  1.00 27.17 ? 387 HOH C O   1 
HETATM 4159 O O   . HOH K 3 .   ? 33.570  10.531  25.541  1.00 36.77 ? 388 HOH C O   1 
HETATM 4160 O O   . HOH K 3 .   ? -6.014  -0.730  26.467  1.00 31.63 ? 389 HOH C O   1 
HETATM 4161 O O   . HOH K 3 .   ? 6.761   8.740   9.145   1.00 22.95 ? 390 HOH C O   1 
HETATM 4162 O O   . HOH K 3 .   ? 7.549   25.253  10.439  1.00 43.68 ? 391 HOH C O   1 
HETATM 4163 O O   . HOH K 3 .   ? 13.070  10.855  8.683   1.00 26.36 ? 392 HOH C O   1 
HETATM 4164 O O   . HOH K 3 .   ? 22.972  12.823  32.871  1.00 35.05 ? 393 HOH C O   1 
HETATM 4165 O O   . HOH K 3 .   ? 16.643  28.010  27.086  1.00 44.30 ? 394 HOH C O   1 
HETATM 4166 O O   . HOH K 3 .   ? 27.040  17.518  26.394  1.00 37.90 ? 395 HOH C O   1 
HETATM 4167 O O   . HOH K 3 .   ? -8.126  -0.480  28.451  1.00 43.45 ? 396 HOH C O   1 
HETATM 4168 O O   . HOH K 3 .   ? 5.661   29.882  9.871   1.00 43.48 ? 397 HOH C O   1 
HETATM 4169 O O   . HOH K 3 .   ? -9.771  17.862  22.096  1.00 49.24 ? 398 HOH C O   1 
HETATM 4170 O O   . HOH K 3 .   ? 20.732  13.523  36.497  1.00 38.10 ? 399 HOH C O   1 
HETATM 4171 O O   . HOH K 3 .   ? -0.330  -2.622  20.286  1.00 46.23 ? 400 HOH C O   1 
HETATM 4172 O O   . HOH K 3 .   ? -11.626 -6.817  18.728  1.00 41.30 ? 401 HOH C O   1 
HETATM 4173 O O   . HOH K 3 .   ? 22.054  11.370  35.082  1.00 29.07 ? 402 HOH C O   1 
HETATM 4174 O O   . HOH K 3 .   ? 6.891   27.645  11.413  1.00 40.37 ? 403 HOH C O   1 
HETATM 4175 O O   . HOH K 3 .   ? 11.236  12.285  7.773   1.00 35.89 ? 404 HOH C O   1 
HETATM 4176 O O   . HOH K 3 .   ? -14.771 1.484   19.267  1.00 47.12 ? 405 HOH C O   1 
HETATM 4177 O O   . HOH K 3 .   ? 7.248   9.214   6.429   1.00 43.49 ? 406 HOH C O   1 
HETATM 4178 O O   . HOH K 3 .   ? 0.981   23.321  27.413  1.00 29.01 ? 407 HOH C O   1 
HETATM 4179 O O   . HOH K 3 .   ? 13.817  27.401  25.143  1.00 45.06 ? 408 HOH C O   1 
HETATM 4180 O O   . HOH K 3 .   ? 3.167   24.329  26.314  1.00 34.92 ? 409 HOH C O   1 
HETATM 4181 O O   . HOH K 3 .   ? 5.845   11.326  9.394   1.00 41.94 ? 410 HOH C O   1 
HETATM 4182 O O   . HOH K 3 .   ? 24.283  23.945  23.078  1.00 49.16 ? 411 HOH C O   1 
HETATM 4183 O O   . HOH K 3 .   ? -6.389  4.155   18.349  1.00 33.89 ? 412 HOH C O   1 
HETATM 4184 O O   . HOH K 3 .   ? -9.454  7.703   25.325  1.00 21.91 ? 413 HOH C O   1 
HETATM 4185 O O   . HOH K 3 .   ? 8.422   7.913   4.021   1.00 42.79 ? 414 HOH C O   1 
HETATM 4186 O O   . HOH K 3 .   ? 12.018  18.127  33.366  1.00 27.84 ? 415 HOH C O   1 
HETATM 4187 O O   . HOH K 3 .   ? -4.247  12.051  13.844  1.00 45.03 ? 416 HOH C O   1 
HETATM 4188 O O   . HOH K 3 .   ? 6.829   5.613   5.880   1.00 50.01 ? 417 HOH C O   1 
HETATM 4189 O O   . HOH K 3 .   ? 30.543  4.638   21.035  1.00 44.87 ? 418 HOH C O   1 
HETATM 4190 O O   . HOH K 3 .   ? -9.709  19.849  26.134  1.00 47.11 ? 419 HOH C O   1 
HETATM 4191 O O   . HOH K 3 .   ? -9.919  2.952   19.684  1.00 36.96 ? 420 HOH C O   1 
HETATM 4192 O O   . HOH K 3 .   ? 10.216  29.660  23.212  1.00 39.68 ? 421 HOH C O   1 
HETATM 4193 O O   . HOH K 3 .   ? -8.643  -8.369  23.326  1.00 43.96 ? 422 HOH C O   1 
HETATM 4194 O O   . HOH K 3 .   ? 14.249  23.132  33.257  1.00 43.47 ? 423 HOH C O   1 
HETATM 4195 O O   . HOH K 3 .   ? 17.188  29.209  19.653  1.00 45.62 ? 424 HOH C O   1 
HETATM 4196 O O   . HOH K 3 .   ? -11.821 -6.960  25.979  1.00 49.85 ? 425 HOH C O   1 
HETATM 4197 O O   . HOH K 3 .   ? 24.760  14.637  35.396  1.00 46.45 ? 426 HOH C O   1 
HETATM 4198 O O   . HOH K 3 .   ? -14.789 -3.162  24.456  1.00 52.93 ? 427 HOH C O   1 
HETATM 4199 O O   . HOH K 3 .   ? 32.143  15.281  23.684  1.00 50.61 ? 428 HOH C O   1 
HETATM 4200 O O   . HOH K 3 .   ? 0.193   27.046  28.889  1.00 45.16 ? 429 HOH C O   1 
HETATM 4201 O O   . HOH K 3 .   ? 23.426  15.138  8.959   1.00 37.21 ? 430 HOH C O   1 
HETATM 4202 O O   . HOH K 3 .   ? 16.216  21.105  32.957  1.00 33.35 ? 431 HOH C O   1 
HETATM 4203 O O   . HOH K 3 .   ? 17.236  14.128  37.923  1.00 38.74 ? 432 HOH C O   1 
HETATM 4204 O O   . HOH K 3 .   ? 10.984  26.487  25.854  1.00 38.97 ? 433 HOH C O   1 
HETATM 4205 O O   . HOH K 3 .   ? 19.047  7.632   10.520  1.00 43.50 ? 434 HOH C O   1 
HETATM 4206 O O   . HOH K 3 .   ? 1.019   27.107  26.189  1.00 46.06 ? 435 HOH C O   1 
HETATM 4207 O O   . HOH K 3 .   ? 17.658  23.505  31.370  1.00 36.79 ? 436 HOH C O   1 
HETATM 4208 O O   . HOH K 3 .   ? 29.574  15.186  19.883  1.00 27.82 ? 437 HOH C O   1 
HETATM 4209 O O   . HOH K 3 .   ? -7.439  1.030   12.193  1.00 40.32 ? 438 HOH C O   1 
HETATM 4210 O O   . HOH K 3 .   ? 28.299  17.239  21.476  1.00 31.64 ? 439 HOH C O   1 
HETATM 4211 O O   . HOH K 3 .   ? 18.905  28.334  26.754  1.00 38.81 ? 440 HOH C O   1 
HETATM 4212 O O   . HOH K 3 .   ? -4.984  5.166   14.336  1.00 38.49 ? 441 HOH C O   1 
HETATM 4213 O O   . HOH K 3 .   ? 18.568  28.394  15.150  1.00 40.54 ? 442 HOH C O   1 
HETATM 4214 O O   . HOH K 3 .   ? 9.829   29.860  17.411  1.00 36.66 ? 443 HOH C O   1 
HETATM 4215 O O   . HOH K 3 .   ? 14.712  19.239  34.453  1.00 31.34 ? 444 HOH C O   1 
HETATM 4216 O O   . HOH K 3 .   ? 17.729  28.347  23.929  1.00 33.45 ? 445 HOH C O   1 
HETATM 4217 O O   . HOH K 3 .   ? 10.213  19.937  32.806  1.00 36.45 ? 446 HOH C O   1 
HETATM 4218 O O   . HOH K 3 .   ? 7.553   22.777  30.994  1.00 43.50 ? 447 HOH C O   1 
HETATM 4219 O O   . HOH K 3 .   ? 11.518  22.439  33.642  1.00 49.64 ? 448 HOH C O   1 
HETATM 4220 O O   . HOH K 3 .   ? 11.381  30.717  21.476  1.00 45.39 ? 449 HOH C O   1 
HETATM 4221 O O   . HOH K 3 .   ? 5.336   24.837  28.492  1.00 35.35 ? 450 HOH C O   1 
HETATM 4222 O O   . HOH K 3 .   ? -14.817 -3.213  15.878  1.00 48.59 ? 451 HOH C O   1 
HETATM 4223 O O   . HOH K 3 .   ? 3.411   26.998  26.133  1.00 39.79 ? 452 HOH C O   1 
HETATM 4224 O O   . HOH K 3 .   ? 10.165  24.123  32.327  1.00 46.47 ? 453 HOH C O   1 
HETATM 4225 O O   . HOH K 3 .   ? -13.280 -8.555  21.287  1.00 55.07 ? 454 HOH C O   1 
HETATM 4226 O O   . HOH K 3 .   ? 6.539   27.179  28.515  1.00 51.98 ? 455 HOH C O   1 
HETATM 4227 O O   . HOH K 3 .   ? 6.026   28.853  29.999  1.00 49.57 ? 456 HOH C O   1 
HETATM 4228 O O   . HOH K 3 .   ? 18.132  31.624  28.460  1.00 47.18 ? 457 HOH C O   1 
HETATM 4229 O O   . HOH L 3 .   ? 1.043   -0.051  -10.301 1.00 42.71 ? 301 HOH D O   1 
HETATM 4230 O O   . HOH L 3 .   ? 22.438  -4.289  -8.568  1.00 43.02 ? 302 HOH D O   1 
HETATM 4231 O O   . HOH L 3 .   ? 9.367   -17.466 23.508  1.00 42.62 ? 303 HOH D O   1 
HETATM 4232 O O   . HOH L 3 .   ? 2.739   -4.037  4.705   0.52 14.59 ? 304 HOH D O   1 
HETATM 4233 O O   . HOH L 3 .   ? 1.277   -13.881 -10.165 1.00 41.44 ? 305 HOH D O   1 
HETATM 4234 O O   . HOH L 3 .   ? 14.889  -14.680 1.023   1.00 16.87 ? 306 HOH D O   1 
HETATM 4235 O O   . HOH L 3 .   ? -8.058  -0.069  -8.677  1.00 33.53 ? 307 HOH D O   1 
HETATM 4236 O O   . HOH L 3 .   ? 24.035  -17.772 -7.807  1.00 38.09 ? 308 HOH D O   1 
HETATM 4237 O O   . HOH L 3 .   ? 17.768  0.888   12.903  1.00 29.10 ? 309 HOH D O   1 
HETATM 4238 O O   . HOH L 3 .   ? 10.701  4.298   10.316  1.00 36.76 ? 310 HOH D O   1 
HETATM 4239 O O   . HOH L 3 .   ? -6.035  3.535   -8.408  1.00 47.55 ? 311 HOH D O   1 
HETATM 4240 O O   . HOH L 3 .   ? 10.201  -14.760 -5.373  1.00 29.54 ? 312 HOH D O   1 
HETATM 4241 O O   . HOH L 3 .   ? 17.096  3.678   -13.387 1.00 24.46 ? 313 HOH D O   1 
HETATM 4242 O O   . HOH L 3 .   ? 3.800   -6.374  -14.494 1.00 34.51 ? 314 HOH D O   1 
HETATM 4243 O O   . HOH L 3 .   ? -5.448  6.144   -5.930  1.00 31.07 ? 315 HOH D O   1 
HETATM 4244 O O   . HOH L 3 .   ? -3.897  -0.068  -1.268  1.00 15.29 ? 316 HOH D O   1 
HETATM 4245 O O   . HOH L 3 .   ? 23.553  -12.687 4.320   1.00 26.95 ? 317 HOH D O   1 
HETATM 4246 O O   . HOH L 3 .   ? 18.126  0.767   5.290   1.00 42.13 ? 318 HOH D O   1 
HETATM 4247 O O   . HOH L 3 .   ? 9.202   9.648   -0.514  1.00 40.37 ? 319 HOH D O   1 
HETATM 4248 O O   . HOH L 3 .   ? 9.880   -12.757 -10.337 1.00 39.16 ? 320 HOH D O   1 
HETATM 4249 O O   . HOH L 3 .   ? 20.939  -1.325  -12.127 1.00 34.47 ? 321 HOH D O   1 
HETATM 4250 O O   . HOH L 3 .   ? 14.174  1.430   -12.741 1.00 18.04 ? 322 HOH D O   1 
HETATM 4251 O O   . HOH L 3 .   ? 11.086  7.055   -9.559  1.00 23.82 ? 323 HOH D O   1 
HETATM 4252 O O   . HOH L 3 .   ? -4.096  -8.164  -3.733  1.00 19.89 ? 324 HOH D O   1 
HETATM 4253 O O   . HOH L 3 .   ? 22.590  -15.215 -4.761  1.00 23.50 ? 325 HOH D O   1 
HETATM 4254 O O   . HOH L 3 .   ? 6.529   -11.412 2.445   1.00 12.54 ? 326 HOH D O   1 
HETATM 4255 O O   . HOH L 3 .   ? 5.081   -11.936 -9.134  1.00 23.25 ? 327 HOH D O   1 
HETATM 4256 O O   . HOH L 3 .   ? 10.446  -9.202  15.830  1.00 17.08 ? 328 HOH D O   1 
HETATM 4257 O O   . HOH L 3 .   ? -2.063  3.946   -5.823  1.00 25.08 ? 329 HOH D O   1 
HETATM 4258 O O   . HOH L 3 .   ? 2.859   -1.793  -14.339 1.00 44.22 ? 330 HOH D O   1 
HETATM 4259 O O   . HOH L 3 .   ? 10.099  10.519  -14.888 1.00 34.39 ? 331 HOH D O   1 
HETATM 4260 O O   . HOH L 3 .   ? -0.743  0.246   -7.941  1.00 22.38 ? 332 HOH D O   1 
HETATM 4261 O O   . HOH L 3 .   ? 0.819   3.490   -11.418 1.00 39.35 ? 333 HOH D O   1 
HETATM 4262 O O   . HOH L 3 .   ? 12.622  -14.803 -6.678  1.00 33.24 ? 334 HOH D O   1 
HETATM 4263 O O   . HOH L 3 .   ? 31.497  -12.968 -7.077  1.00 34.74 ? 335 HOH D O   1 
HETATM 4264 O O   . HOH L 3 .   ? 20.032  -20.227 -0.942  1.00 37.38 ? 336 HOH D O   1 
HETATM 4265 O O   . HOH L 3 .   ? 31.712  -16.696 -3.079  1.00 30.76 ? 337 HOH D O   1 
HETATM 4266 O O   . HOH L 3 .   ? 1.754   -14.381 -3.777  1.00 23.87 ? 338 HOH D O   1 
HETATM 4267 O O   . HOH L 3 .   ? 20.537  -0.628  1.961   1.00 35.71 ? 339 HOH D O   1 
HETATM 4268 O O   . HOH L 3 .   ? 25.892  -15.635 10.330  1.00 41.31 ? 340 HOH D O   1 
HETATM 4269 O O   . HOH L 3 .   ? 26.907  -2.633  -3.798  1.00 42.78 ? 341 HOH D O   1 
HETATM 4270 O O   . HOH L 3 .   ? 18.075  -16.220 -1.392  1.00 16.80 ? 342 HOH D O   1 
HETATM 4271 O O   . HOH L 3 .   ? 18.432  -7.817  13.855  1.00 17.16 ? 343 HOH D O   1 
HETATM 4272 O O   . HOH L 3 .   ? 18.794  -16.004 7.223   1.00 16.79 ? 344 HOH D O   1 
HETATM 4273 O O   . HOH L 3 .   ? 30.033  -17.342 3.638   1.00 29.61 ? 345 HOH D O   1 
HETATM 4274 O O   . HOH L 3 .   ? 12.214  -11.978 18.793  1.00 25.24 ? 346 HOH D O   1 
HETATM 4275 O O   . HOH L 3 .   ? 15.762  6.578   -2.860  1.00 35.35 ? 347 HOH D O   1 
HETATM 4276 O O   . HOH L 3 .   ? 16.153  -14.465 -6.309  1.00 36.16 ? 348 HOH D O   1 
HETATM 4277 O O   . HOH L 3 .   ? -3.402  -3.004  -9.898  1.00 37.96 ? 349 HOH D O   1 
HETATM 4278 O O   . HOH L 3 .   ? 9.445   -17.502 -1.666  1.00 26.47 ? 350 HOH D O   1 
HETATM 4279 O O   . HOH L 3 .   ? 24.274  -20.214 2.964   1.00 28.10 ? 351 HOH D O   1 
HETATM 4280 O O   . HOH L 3 .   ? 5.676   3.927   4.525   1.00 27.84 ? 352 HOH D O   1 
HETATM 4281 O O   . HOH L 3 .   ? 0.282   -12.056 -13.578 1.00 34.44 ? 353 HOH D O   1 
HETATM 4282 O O   . HOH L 3 .   ? 28.182  -6.384  -2.711  1.00 42.23 ? 354 HOH D O   1 
HETATM 4283 O O   . HOH L 3 .   ? 9.982   5.717   4.260   1.00 33.01 ? 355 HOH D O   1 
HETATM 4284 O O   . HOH L 3 .   ? 15.028  -11.510 26.090  1.00 23.90 ? 356 HOH D O   1 
HETATM 4285 O O   . HOH L 3 .   ? 16.554  -17.154 1.622   1.00 18.62 ? 357 HOH D O   1 
HETATM 4286 O O   . HOH L 3 .   ? 21.318  -14.187 13.811  1.00 34.78 ? 358 HOH D O   1 
HETATM 4287 O O   . HOH L 3 .   ? 20.857  -9.914  26.690  1.00 31.79 ? 359 HOH D O   1 
HETATM 4288 O O   . HOH L 3 .   ? 12.721  6.684   4.266   1.00 31.43 ? 360 HOH D O   1 
HETATM 4289 O O   . HOH L 3 .   ? 3.670   7.511   1.039   1.00 32.40 ? 361 HOH D O   1 
HETATM 4290 O O   . HOH L 3 .   ? -5.404  2.241   -2.086  1.00 17.61 ? 362 HOH D O   1 
HETATM 4291 O O   . HOH L 3 .   ? 5.144   11.333  -9.212  1.00 44.79 ? 363 HOH D O   1 
HETATM 4292 O O   . HOH L 3 .   ? 5.743   -1.250  -14.314 1.00 37.73 ? 364 HOH D O   1 
HETATM 4293 O O   . HOH L 3 .   ? 21.129  -6.426  19.183  1.00 32.91 ? 365 HOH D O   1 
HETATM 4294 O O   . HOH L 3 .   ? 12.156  10.625  -12.241 1.00 46.25 ? 366 HOH D O   1 
HETATM 4295 O O   . HOH L 3 .   ? -7.401  8.356   1.384   1.00 41.48 ? 367 HOH D O   1 
HETATM 4296 O O   . HOH L 3 .   ? -1.981  -2.142  -7.731  1.00 23.93 ? 368 HOH D O   1 
HETATM 4297 O O   . HOH L 3 .   ? 29.315  -12.385 -8.701  1.00 32.07 ? 369 HOH D O   1 
HETATM 4298 O O   . HOH L 3 .   ? 27.764  -22.071 -3.199  1.00 44.70 ? 370 HOH D O   1 
HETATM 4299 O O   . HOH L 3 .   ? 19.316  -7.112  16.358  1.00 23.18 ? 371 HOH D O   1 
HETATM 4300 O O   . HOH L 3 .   ? 22.029  -17.882 -4.107  1.00 23.15 ? 372 HOH D O   1 
HETATM 4301 O O   . HOH L 3 .   ? 16.337  3.640   8.633   1.00 22.85 ? 373 HOH D O   1 
HETATM 4302 O O   . HOH L 3 .   ? 4.478   -13.923 -3.791  1.00 20.70 ? 374 HOH D O   1 
HETATM 4303 O O   . HOH L 3 .   ? -2.335  -5.346  -11.002 1.00 41.32 ? 375 HOH D O   1 
HETATM 4304 O O   . HOH L 3 .   ? 9.881   7.558   -11.829 1.00 37.58 ? 376 HOH D O   1 
HETATM 4305 O O   . HOH L 3 .   ? 18.169  -18.252 26.469  1.00 32.88 ? 377 HOH D O   1 
HETATM 4306 O O   . HOH L 3 .   ? -0.731  8.172   -4.447  1.00 37.58 ? 378 HOH D O   1 
HETATM 4307 O O   . HOH L 3 .   ? 28.997  -9.138  -1.331  1.00 31.87 ? 379 HOH D O   1 
HETATM 4308 O O   . HOH L 3 .   ? 5.701   9.747   -5.515  1.00 47.06 ? 380 HOH D O   1 
HETATM 4309 O O   . HOH L 3 .   ? 21.452  -14.913 20.710  1.00 28.81 ? 381 HOH D O   1 
HETATM 4310 O O   . HOH L 3 .   ? -5.580  -10.221 -4.934  1.00 29.38 ? 382 HOH D O   1 
HETATM 4311 O O   . HOH L 3 .   ? 27.388  -15.937 6.351   1.00 38.00 ? 383 HOH D O   1 
HETATM 4312 O O   . HOH L 3 .   ? 24.708  -9.149  1.750   1.00 35.97 ? 384 HOH D O   1 
HETATM 4313 O O   . HOH L 3 .   ? 16.890  -20.015 24.174  1.00 34.16 ? 385 HOH D O   1 
HETATM 4314 O O   . HOH L 3 .   ? 16.508  8.611   9.836   1.00 32.58 ? 386 HOH D O   1 
HETATM 4315 O O   . HOH L 3 .   ? 12.134  9.831   -9.519  1.00 47.21 ? 387 HOH D O   1 
HETATM 4316 O O   . HOH L 3 .   ? 16.343  -11.533 28.600  1.00 31.63 ? 388 HOH D O   1 
HETATM 4317 O O   . HOH L 3 .   ? 3.229   -3.373  -12.148 1.00 29.62 ? 389 HOH D O   1 
HETATM 4318 O O   . HOH L 3 .   ? 23.170  -21.624 5.389   1.00 37.09 ? 390 HOH D O   1 
HETATM 4319 O O   . HOH L 3 .   ? 21.148  -17.198 14.694  1.00 24.53 ? 391 HOH D O   1 
HETATM 4320 O O   . HOH L 3 .   ? -10.901 -0.769  -5.592  1.00 39.69 ? 392 HOH D O   1 
HETATM 4321 O O   . HOH L 3 .   ? -0.519  -0.144  -12.832 1.00 46.20 ? 393 HOH D O   1 
HETATM 4322 O O   . HOH L 3 .   ? -9.148  4.832   0.149   1.00 34.08 ? 394 HOH D O   1 
HETATM 4323 O O   . HOH L 3 .   ? 5.689   4.144   -12.014 1.00 46.25 ? 395 HOH D O   1 
HETATM 4324 O O   . HOH L 3 .   ? 21.796  -17.561 25.783  1.00 36.04 ? 396 HOH D O   1 
HETATM 4325 O O   . HOH L 3 .   ? 23.208  -0.689  -13.826 1.00 49.97 ? 397 HOH D O   1 
HETATM 4326 O O   . HOH L 3 .   ? 11.991  -8.220  20.833  1.00 32.65 ? 398 HOH D O   1 
HETATM 4327 O O   . HOH L 3 .   ? 20.510  2.146   -4.797  1.00 38.69 ? 399 HOH D O   1 
HETATM 4328 O O   . HOH L 3 .   ? -0.326  5.976   -6.571  1.00 35.48 ? 400 HOH D O   1 
HETATM 4329 O O   . HOH L 3 .   ? 20.390  -10.502 20.087  1.00 36.76 ? 401 HOH D O   1 
HETATM 4330 O O   . HOH L 3 .   ? 20.689  -7.757  12.207  1.00 30.53 ? 402 HOH D O   1 
HETATM 4331 O O   . HOH L 3 .   ? 5.735   9.645   -2.634  1.00 33.97 ? 403 HOH D O   1 
HETATM 4332 O O   . HOH L 3 .   ? 22.385  -1.604  -9.655  1.00 44.18 ? 404 HOH D O   1 
HETATM 4333 O O   . HOH L 3 .   ? 13.961  -11.669 -10.252 1.00 47.28 ? 405 HOH D O   1 
HETATM 4334 O O   . HOH L 3 .   ? -11.806 4.391   -4.152  1.00 49.66 ? 406 HOH D O   1 
HETATM 4335 O O   . HOH L 3 .   ? 24.288  -14.561 12.727  1.00 49.29 ? 407 HOH D O   1 
HETATM 4336 O O   . HOH L 3 .   ? -3.296  12.552  -3.751  1.00 32.90 ? 408 HOH D O   1 
HETATM 4337 O O   . HOH L 3 .   ? 16.085  6.701   11.757  1.00 36.36 ? 409 HOH D O   1 
HETATM 4338 O O   . HOH L 3 .   ? -5.868  -12.734 -3.540  1.00 25.20 ? 410 HOH D O   1 
HETATM 4339 O O   . HOH L 3 .   ? 11.722  -0.031  -13.896 1.00 33.36 ? 411 HOH D O   1 
HETATM 4340 O O   . HOH L 3 .   ? 17.984  2.828   6.586   1.00 38.35 ? 412 HOH D O   1 
HETATM 4341 O O   . HOH L 3 .   ? 0.251   -2.440  -10.809 1.00 44.74 ? 413 HOH D O   1 
HETATM 4342 O O   . HOH L 3 .   ? 9.996   -20.116 24.007  1.00 43.86 ? 414 HOH D O   1 
HETATM 4343 O O   . HOH L 3 .   ? -4.778  -14.516 -5.139  1.00 39.82 ? 415 HOH D O   1 
HETATM 4344 O O   . HOH L 3 .   ? 20.195  -9.886  17.400  1.00 30.68 ? 416 HOH D O   1 
HETATM 4345 O O   . HOH L 3 .   ? 25.356  -10.584 10.532  1.00 41.21 ? 417 HOH D O   1 
HETATM 4346 O O   . HOH L 3 .   ? 5.614   -16.276 -4.743  1.00 26.17 ? 418 HOH D O   1 
HETATM 4347 O O   . HOH L 3 .   ? 18.680  -14.596 -5.423  1.00 27.47 ? 419 HOH D O   1 
HETATM 4348 O O   . HOH L 3 .   ? 14.858  9.579   -7.958  1.00 45.68 ? 420 HOH D O   1 
HETATM 4349 O O   . HOH L 3 .   ? 26.810  -20.270 3.493   1.00 49.60 ? 421 HOH D O   1 
HETATM 4350 O O   . HOH L 3 .   ? 20.288  -0.546  4.396   1.00 46.84 ? 422 HOH D O   1 
HETATM 4351 O O   . HOH L 3 .   ? 26.154  -12.100 5.691   1.00 49.72 ? 423 HOH D O   1 
HETATM 4352 O O   . HOH L 3 .   ? 11.802  -14.146 -9.350  1.00 34.48 ? 424 HOH D O   1 
HETATM 4353 O O   . HOH L 3 .   ? -0.676  9.834   -6.253  1.00 49.84 ? 425 HOH D O   1 
HETATM 4354 O O   . HOH L 3 .   ? 22.227  -11.256 16.175  1.00 42.02 ? 426 HOH D O   1 
HETATM 4355 O O   . HOH L 3 .   ? 11.595  9.724   4.168   1.00 39.32 ? 427 HOH D O   1 
HETATM 4356 O O   . HOH L 3 .   ? 14.892  -14.132 29.198  1.00 43.60 ? 428 HOH D O   1 
HETATM 4357 O O   . HOH L 3 .   ? -2.640  12.093  -6.207  1.00 38.53 ? 429 HOH D O   1 
HETATM 4358 O O   . HOH L 3 .   ? 19.322  -16.851 -3.782  1.00 23.30 ? 430 HOH D O   1 
HETATM 4359 O O   . HOH L 3 .   ? 20.450  -14.954 -7.434  1.00 36.35 ? 431 HOH D O   1 
HETATM 4360 O O   . HOH L 3 .   ? 8.049   -16.772 -5.490  1.00 30.36 ? 432 HOH D O   1 
HETATM 4361 O O   . HOH L 3 .   ? 21.997  -12.489 19.701  1.00 35.89 ? 433 HOH D O   1 
HETATM 4362 O O   . HOH L 3 .   ? -3.623  3.796   -8.136  1.00 31.71 ? 434 HOH D O   1 
HETATM 4363 O O   . HOH L 3 .   ? 4.248   -14.843 -9.299  1.00 40.88 ? 435 HOH D O   1 
HETATM 4364 O O   . HOH L 3 .   ? 15.758  10.503  -5.219  1.00 44.60 ? 436 HOH D O   1 
HETATM 4365 O O   . HOH L 3 .   ? 27.161  -6.712  -0.199  1.00 58.38 ? 437 HOH D O   1 
HETATM 4366 O O   . HOH L 3 .   ? 11.537  -12.423 -13.811 1.00 40.76 ? 438 HOH D O   1 
HETATM 4367 O O   . HOH L 3 .   ? -6.536  1.169   -10.240 1.00 37.79 ? 439 HOH D O   1 
HETATM 4368 O O   . HOH L 3 .   ? -2.299  1.895   -9.607  1.00 39.93 ? 440 HOH D O   1 
HETATM 4369 O O   . HOH L 3 .   ? 3.007   -11.627 -13.708 1.00 44.32 ? 441 HOH D O   1 
HETATM 4370 O O   . HOH L 3 .   ? -2.158  -17.451 -4.422  1.00 38.52 ? 442 HOH D O   1 
HETATM 4371 O O   . HOH L 3 .   ? -4.979  11.871  -8.025  1.00 46.05 ? 443 HOH D O   1 
HETATM 4372 O O   . HOH L 3 .   ? -6.552  -14.498 -7.012  1.00 47.39 ? 444 HOH D O   1 
HETATM 4373 O O   . HOH L 3 .   ? 5.159   -18.413 -3.065  1.00 27.12 ? 445 HOH D O   1 
HETATM 4374 O O   . HOH L 3 .   ? 8.156   -17.393 -8.257  1.00 36.85 ? 446 HOH D O   1 
HETATM 4375 O O   . HOH L 3 .   ? 19.681  10.506  -12.744 1.00 45.16 ? 447 HOH D O   1 
HETATM 4376 O O   . HOH L 3 .   ? 31.771  -19.405 -3.845  1.00 40.85 ? 448 HOH D O   1 
HETATM 4377 O O   . HOH L 3 .   ? 3.778   -16.655 -7.042  1.00 33.52 ? 449 HOH D O   1 
HETATM 4378 O O   . HOH L 3 .   ? 17.811  -18.560 -5.311  1.00 47.23 ? 450 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   . ALA A 1   ? 0.6143 0.3495 0.4408 0.0268  0.0404  0.0314  15  ALA A N   
2    C CA  . ALA A 1   ? 0.5946 0.3407 0.4262 0.0314  0.0348  0.0208  15  ALA A CA  
3    C C   . ALA A 1   ? 0.5719 0.3246 0.4043 0.0413  0.0346  0.0090  15  ALA A C   
4    O O   . ALA A 1   ? 0.5932 0.3366 0.4393 0.0556  0.0570  -0.0048 15  ALA A O   
5    C CB  . ALA A 1   ? 0.5973 0.3497 0.4338 0.0300  0.0208  0.0186  15  ALA A CB  
6    N N   . GLY A 2   ? 0.5172 0.2941 0.3693 0.0341  0.0059  0.0139  16  GLY A N   
7    C CA  . GLY A 2   ? 0.4639 0.2459 0.2959 0.0235  -0.0104 0.0157  16  GLY A CA  
8    C C   . GLY A 2   ? 0.4197 0.2081 0.2403 0.0133  -0.0072 0.0130  16  GLY A C   
9    O O   . GLY A 2   ? 0.4200 0.1916 0.2087 -0.0017 -0.0072 0.0146  16  GLY A O   
10   N N   . ILE A 3   ? 0.3821 0.1932 0.2173 0.0210  0.0086  0.0223  17  ILE A N   
11   C CA  . ILE A 3   ? 0.3638 0.1849 0.2004 -0.0032 0.0326  0.0152  17  ILE A CA  
12   C C   . ILE A 3   ? 0.3588 0.1691 0.1762 -0.0112 0.0279  0.0022  17  ILE A C   
13   O O   . ILE A 3   ? 0.3544 0.1801 0.1973 0.0006  0.0288  0.0068  17  ILE A O   
14   C CB  . ILE A 3   ? 0.3617 0.1955 0.2059 -0.0182 0.0395  0.0252  17  ILE A CB  
15   C CG1 . ILE A 3   ? 0.3616 0.2068 0.1941 -0.0217 0.0312  -0.0156 17  ILE A CG1 
16   C CG2 . ILE A 3   ? 0.3650 0.1902 0.2046 -0.0209 0.0413  0.0379  17  ILE A CG2 
17   C CD1 . ILE A 3   ? 0.3559 0.2181 0.2062 -0.0293 0.0395  -0.0215 17  ILE A CD1 
18   N N   . THR A 4   ? 0.3658 0.1557 0.1739 0.0029  0.0118  0.0060  18  THR A N   
19   C CA  . THR A 4   ? 0.3645 0.1406 0.1823 -0.0015 0.0286  -0.0159 18  THR A CA  
20   C C   . THR A 4   ? 0.3637 0.1338 0.1847 0.0064  0.0415  0.0053  18  THR A C   
21   O O   . THR A 4   ? 0.3865 0.1492 0.2013 0.0009  0.0506  0.0273  18  THR A O   
22   C CB  . THR A 4   ? 0.3655 0.1508 0.1797 0.0036  0.0315  -0.0344 18  THR A CB  
23   O OG1 . THR A 4   ? 0.3770 0.1665 0.1834 0.0004  0.0289  -0.0281 18  THR A OG1 
24   C CG2 . THR A 4   ? 0.3735 0.1546 0.2102 0.0178  0.0175  -0.0396 18  THR A CG2 
25   N N   . GLY A 5   ? 0.3524 0.1257 0.1848 0.0011  0.0409  0.0125  19  GLY A N   
26   C CA  . GLY A 5   ? 0.3486 0.1230 0.1776 0.0144  0.0428  0.0160  19  GLY A CA  
27   C C   . GLY A 5   ? 0.3413 0.1195 0.1560 0.0005  0.0590  0.0113  19  GLY A C   
28   O O   . GLY A 5   ? 0.3502 0.1158 0.1875 0.0166  0.0521  0.0228  19  GLY A O   
29   N N   . THR A 6   ? 0.3347 0.1341 0.1816 -0.0157 0.0715  0.0096  20  THR A N   
30   C CA  . THR A 6   ? 0.3596 0.1462 0.1842 -0.0295 0.0654  0.0109  20  THR A CA  
31   C C   . THR A 6   ? 0.3634 0.1375 0.1570 -0.0247 0.0688  0.0307  20  THR A C   
32   O O   . THR A 6   ? 0.3998 0.1489 0.1614 -0.0128 0.0483  0.0291  20  THR A O   
33   C CB  . THR A 6   ? 0.3790 0.1732 0.2042 -0.0243 0.0664  -0.0096 20  THR A CB  
34   O OG1 . THR A 6   ? 0.3823 0.1942 0.2090 -0.0293 0.0894  -0.0170 20  THR A OG1 
35   C CG2 . THR A 6   ? 0.3795 0.1726 0.2299 -0.0153 0.0605  -0.0203 20  THR A CG2 
36   N N   . TRP A 7   ? 0.3394 0.1389 0.1785 -0.0086 0.0609  0.0165  21  TRP A N   
37   C CA  . TRP A 7   ? 0.3333 0.1359 0.1642 0.0003  0.0428  0.0206  21  TRP A CA  
38   C C   . TRP A 7   ? 0.3206 0.1360 0.1548 -0.0112 0.0667  0.0136  21  TRP A C   
39   O O   . TRP A 7   ? 0.2995 0.1501 0.1563 -0.0077 0.0420  0.0150  21  TRP A O   
40   C CB  . TRP A 7   ? 0.3340 0.1410 0.1570 0.0206  0.0269  0.0083  21  TRP A CB  
41   C CG  . TRP A 7   ? 0.3303 0.1466 0.1456 0.0376  0.0330  0.0080  21  TRP A CG  
42   C CD1 . TRP A 7   ? 0.3373 0.1573 0.1760 0.0349  0.0548  0.0142  21  TRP A CD1 
43   C CD2 . TRP A 7   ? 0.3363 0.1650 0.1640 0.0494  0.0248  -0.0053 21  TRP A CD2 
44   N NE1 . TRP A 7   ? 0.3473 0.1693 0.1594 0.0404  0.0494  -0.0050 21  TRP A NE1 
45   C CE2 . TRP A 7   ? 0.3504 0.1768 0.1768 0.0613  0.0264  -0.0101 21  TRP A CE2 
46   C CE3 . TRP A 7   ? 0.3422 0.1632 0.1869 0.0430  -0.0190 -0.0137 21  TRP A CE3 
47   C CZ2 . TRP A 7   ? 0.3614 0.1862 0.1964 0.0650  0.0363  -0.0007 21  TRP A CZ2 
48   C CZ3 . TRP A 7   ? 0.3523 0.1710 0.2019 0.0578  -0.0050 -0.0146 21  TRP A CZ3 
49   C CH2 . TRP A 7   ? 0.3613 0.1823 0.2087 0.0667  0.0128  -0.0091 21  TRP A CH2 
50   N N   . TYR A 8   ? 0.3301 0.1317 0.1562 -0.0207 0.0804  0.0210  22  TYR A N   
51   C CA  . TYR A 8   ? 0.3461 0.1336 0.1577 -0.0285 0.1010  0.0046  22  TYR A CA  
52   C C   . TYR A 8   ? 0.3359 0.1384 0.1569 -0.0278 0.0735  0.0110  22  TYR A C   
53   O O   . TYR A 8   ? 0.3444 0.1590 0.1876 -0.0249 0.0373  0.0362  22  TYR A O   
54   C CB  . TYR A 8   ? 0.3843 0.1462 0.2125 -0.0565 0.1164  -0.0073 22  TYR A CB  
55   C CG  . TYR A 8   ? 0.4177 0.1638 0.2245 -0.0825 0.1424  -0.0241 22  TYR A CG  
56   C CD1 . TYR A 8   ? 0.4066 0.1831 0.2366 -0.0942 0.1550  -0.0361 22  TYR A CD1 
57   C CD2 . TYR A 8   ? 0.4319 0.1848 0.2297 -0.0826 0.1417  -0.0079 22  TYR A CD2 
58   C CE1 . TYR A 8   ? 0.4195 0.2024 0.2715 -0.1098 0.1525  -0.0489 22  TYR A CE1 
59   C CE2 . TYR A 8   ? 0.4366 0.2025 0.2495 -0.0988 0.1537  -0.0190 22  TYR A CE2 
60   C CZ  . TYR A 8   ? 0.4354 0.2074 0.2671 -0.1267 0.1495  -0.0444 22  TYR A CZ  
61   O OH  . TYR A 8   ? 0.4739 0.2272 0.2975 -0.1383 0.1428  -0.0814 22  TYR A OH  
62   N N   . ASN A 9   ? 0.3134 0.1250 0.1617 -0.0418 0.0726  -0.0068 23  ASN A N   
63   C CA  . ASN A 9   ? 0.3110 0.1368 0.1678 -0.0481 0.0730  0.0020  23  ASN A CA  
64   C C   . ASN A 9   ? 0.3316 0.1595 0.1924 -0.0480 0.0770  -0.0035 23  ASN A C   
65   O O   . ASN A 9   ? 0.3384 0.1668 0.1976 -0.0672 0.0987  -0.0181 23  ASN A O   
66   C CB  . ASN A 9   ? 0.3223 0.1430 0.1895 -0.0436 0.0718  0.0298  23  ASN A CB  
67   C CG  . ASN A 9   ? 0.3257 0.1441 0.1936 -0.0597 0.0353  0.0238  23  ASN A CG  
68   O OD1 . ASN A 9   ? 0.3246 0.1391 0.1956 -0.0378 0.0262  -0.0091 23  ASN A OD1 
69   N ND2 . ASN A 9   ? 0.3429 0.1598 0.2126 -0.0675 0.0051  0.0380  23  ASN A ND2 
70   N N   . GLN A 10  ? 0.3577 0.1812 0.1765 -0.0408 0.0701  -0.0193 24  GLN A N   
71   C CA  . GLN A 10  ? 0.3690 0.2132 0.1691 -0.0394 0.0718  -0.0238 24  GLN A CA  
72   C C   . GLN A 10  ? 0.3574 0.2613 0.1822 -0.0389 0.0964  -0.0437 24  GLN A C   
73   O O   . GLN A 10  ? 0.3751 0.2862 0.2269 -0.0394 0.1231  -0.0160 24  GLN A O   
74   C CB  . GLN A 10  ? 0.3698 0.2089 0.1779 -0.0311 0.0502  -0.0199 24  GLN A CB  
75   C CG  . GLN A 10  ? 0.3661 0.1983 0.1740 -0.0103 0.0530  -0.0198 24  GLN A CG  
76   C CD  . GLN A 10  ? 0.3500 0.1998 0.2211 0.0031  0.0670  -0.0017 24  GLN A CD  
77   O OE1 . GLN A 10  ? 0.3139 0.1877 0.2144 0.0100  0.0818  0.0215  24  GLN A OE1 
78   N NE2 . GLN A 10  ? 0.3635 0.2141 0.2478 0.0032  0.0822  0.0131  24  GLN A NE2 
79   N N   . LEU A 11  ? 0.3545 0.2888 0.2260 -0.0317 0.0338  -0.0548 25  LEU A N   
80   C CA  . LEU A 11  ? 0.3816 0.3208 0.2530 -0.0261 0.0256  -0.0737 25  LEU A CA  
81   C C   . LEU A 11  ? 0.3795 0.3432 0.2482 -0.0283 0.0387  -0.0789 25  LEU A C   
82   O O   . LEU A 11  ? 0.3809 0.3759 0.2905 -0.0047 0.0475  -0.0896 25  LEU A O   
83   C CB  . LEU A 11  ? 0.4248 0.3350 0.2910 -0.0069 0.0276  -0.0465 25  LEU A CB  
84   C CG  . LEU A 11  ? 0.4584 0.3346 0.2834 0.0001  0.0528  -0.0516 25  LEU A CG  
85   C CD1 . LEU A 11  ? 0.4677 0.3221 0.2733 0.0074  0.0699  -0.0522 25  LEU A CD1 
86   C CD2 . LEU A 11  ? 0.4742 0.3317 0.2996 -0.0036 0.0360  -0.0567 25  LEU A CD2 
87   N N   . GLY A 12  ? 0.3734 0.3140 0.2191 -0.0734 0.0660  -0.0714 26  GLY A N   
88   C CA  . GLY A 12  ? 0.3694 0.2925 0.2153 -0.0846 0.0912  -0.0605 26  GLY A CA  
89   C C   . GLY A 12  ? 0.3416 0.2552 0.2161 -0.0763 0.0963  -0.0501 26  GLY A C   
90   O O   . GLY A 12  ? 0.3748 0.2955 0.2895 -0.0917 0.1055  -0.0442 26  GLY A O   
91   N N   A SER A 13  ? 0.3063 0.2034 0.1847 -0.0691 0.0868  -0.0236 27  SER A N   
92   N N   B SER A 13  ? 0.3060 0.2269 0.1862 -0.0678 0.0912  -0.0333 27  SER A N   
93   C CA  A SER A 13  ? 0.3009 0.1888 0.2015 -0.0428 0.0633  -0.0188 27  SER A CA  
94   C CA  B SER A 13  ? 0.2808 0.2091 0.1724 -0.0551 0.0827  -0.0216 27  SER A CA  
95   C C   A SER A 13  ? 0.2936 0.1810 0.1951 -0.0352 0.0507  -0.0026 27  SER A C   
96   C C   B SER A 13  ? 0.2699 0.1929 0.1698 -0.0401 0.0869  0.0009  27  SER A C   
97   O O   A SER A 13  ? 0.2933 0.1943 0.2026 -0.0356 0.0173  -0.0050 27  SER A O   
98   O O   B SER A 13  ? 0.2449 0.2027 0.1508 -0.0276 0.1031  0.0124  27  SER A O   
99   C CB  A SER A 13  ? 0.2881 0.1896 0.2270 -0.0217 0.0491  -0.0249 27  SER A CB  
100  C CB  B SER A 13  ? 0.2674 0.2094 0.1634 -0.0585 0.0733  -0.0278 27  SER A CB  
101  O OG  A SER A 13  ? 0.2819 0.1999 0.2383 -0.0196 0.0507  -0.0186 27  SER A OG  
102  O OG  B SER A 13  ? 0.2627 0.2077 0.1425 -0.0659 0.0765  -0.0313 27  SER A OG  
103  N N   . THR A 14  ? 0.2774 0.1754 0.1891 -0.0340 0.0646  -0.0019 28  THR A N   
104  C CA  . THR A 14  ? 0.2845 0.1679 0.2021 -0.0186 0.0929  -0.0005 28  THR A CA  
105  C C   . THR A 14  ? 0.2814 0.1582 0.1806 -0.0080 0.0787  -0.0021 28  THR A C   
106  O O   . THR A 14  ? 0.2814 0.1678 0.1941 -0.0101 0.0286  0.0215  28  THR A O   
107  C CB  . THR A 14  ? 0.3184 0.1796 0.2498 -0.0085 0.1021  -0.0028 28  THR A CB  
108  O OG1 . THR A 14  ? 0.3500 0.2087 0.2546 -0.0102 0.1312  0.0084  28  THR A OG1 
109  C CG2 . THR A 14  ? 0.3091 0.1781 0.2664 0.0042  0.0830  -0.0136 28  THR A CG2 
110  N N   . PHE A 15  ? 0.2761 0.1503 0.1575 -0.0132 0.0668  -0.0185 29  PHE A N   
111  C CA  . PHE A 15  ? 0.2919 0.1513 0.1478 -0.0013 0.0353  -0.0146 29  PHE A CA  
112  C C   . PHE A 15  ? 0.3043 0.1547 0.1207 -0.0006 0.0458  -0.0099 29  PHE A C   
113  O O   . PHE A 15  ? 0.3404 0.1617 0.1356 0.0136  0.0372  0.0131  29  PHE A O   
114  C CB  . PHE A 15  ? 0.2933 0.1548 0.1331 -0.0119 0.0406  0.0009  29  PHE A CB  
115  C CG  . PHE A 15  ? 0.3047 0.1525 0.1573 -0.0160 0.0249  0.0275  29  PHE A CG  
116  C CD1 . PHE A 15  ? 0.3042 0.1599 0.1682 -0.0179 0.0348  0.0080  29  PHE A CD1 
117  C CD2 . PHE A 15  ? 0.3168 0.1492 0.1668 -0.0222 0.0257  0.0356  29  PHE A CD2 
118  C CE1 . PHE A 15  ? 0.3308 0.1524 0.1541 -0.0041 0.0166  0.0142  29  PHE A CE1 
119  C CE2 . PHE A 15  ? 0.3236 0.1528 0.1530 -0.0109 0.0155  0.0187  29  PHE A CE2 
120  C CZ  . PHE A 15  ? 0.3200 0.1396 0.1265 -0.0091 0.0093  -0.0080 29  PHE A CZ  
121  N N   . ILE A 16  ? 0.2887 0.1598 0.1648 0.0049  0.0660  -0.0072 30  ILE A N   
122  C CA  . ILE A 16  ? 0.2918 0.1706 0.1921 -0.0158 0.0580  -0.0050 30  ILE A CA  
123  C C   . ILE A 16  ? 0.2891 0.1737 0.1735 -0.0050 0.0606  0.0108  30  ILE A C   
124  O O   . ILE A 16  ? 0.3016 0.2044 0.1700 0.0104  0.0394  0.0491  30  ILE A O   
125  C CB  . ILE A 16  ? 0.3056 0.1734 0.1894 -0.0357 0.0712  -0.0232 30  ILE A CB  
126  C CG1 . ILE A 16  ? 0.3012 0.1906 0.2124 -0.0486 0.0702  -0.0209 30  ILE A CG1 
127  C CG2 . ILE A 16  ? 0.3212 0.1743 0.2117 -0.0259 0.0467  -0.0239 30  ILE A CG2 
128  C CD1 . ILE A 16  ? 0.3106 0.1975 0.2219 -0.0581 0.0946  -0.0087 30  ILE A CD1 
129  N N   . VAL A 17  ? 0.2843 0.1558 0.1569 0.0051  0.0631  0.0027  31  VAL A N   
130  C CA  . VAL A 17  ? 0.2855 0.1414 0.1429 0.0022  0.0409  0.0043  31  VAL A CA  
131  C C   . VAL A 17  ? 0.3024 0.1548 0.1638 -0.0006 0.0390  0.0052  31  VAL A C   
132  O O   . VAL A 17  ? 0.2933 0.1495 0.1652 -0.0001 0.0362  0.0062  31  VAL A O   
133  C CB  . VAL A 17  ? 0.2857 0.1456 0.1507 -0.0220 0.0234  0.0050  31  VAL A CB  
134  C CG1 . VAL A 17  ? 0.2987 0.1702 0.1684 0.0058  0.0207  0.0115  31  VAL A CG1 
135  C CG2 . VAL A 17  ? 0.2713 0.1429 0.1819 -0.0516 0.0372  0.0098  31  VAL A CG2 
136  N N   . THR A 18  ? 0.2994 0.1600 0.1656 0.0094  0.0345  -0.0188 32  THR A N   
137  C CA  . THR A 18  ? 0.3054 0.1770 0.1829 -0.0003 0.0182  -0.0400 32  THR A CA  
138  C C   . THR A 18  ? 0.3005 0.1607 0.1671 0.0027  0.0157  -0.0219 32  THR A C   
139  O O   . THR A 18  ? 0.2977 0.1815 0.1601 0.0007  0.0094  -0.0185 32  THR A O   
140  C CB  . THR A 18  ? 0.3004 0.1947 0.2263 -0.0156 0.0039  -0.0460 32  THR A CB  
141  O OG1 . THR A 18  ? 0.3101 0.2171 0.2317 -0.0316 -0.0133 -0.0335 32  THR A OG1 
142  C CG2 . THR A 18  ? 0.2933 0.1916 0.2229 -0.0082 0.0139  -0.0646 32  THR A CG2 
143  N N   . ALA A 19  ? 0.3217 0.1587 0.1891 0.0117  0.0121  -0.0192 33  ALA A N   
144  C CA  . ALA A 19  ? 0.3396 0.1768 0.2171 0.0174  0.0212  -0.0080 33  ALA A CA  
145  C C   . ALA A 19  ? 0.3572 0.1849 0.2379 0.0138  0.0490  -0.0195 33  ALA A C   
146  O O   . ALA A 19  ? 0.3986 0.1944 0.3031 0.0194  0.0681  0.0206  33  ALA A O   
147  C CB  . ALA A 19  ? 0.3373 0.1774 0.2312 0.0182  0.0188  0.0053  33  ALA A CB  
148  N N   . GLY A 20  ? 0.3520 0.1978 0.1844 0.0154  0.0333  -0.0682 34  GLY A N   
149  C CA  . GLY A 20  ? 0.3648 0.2017 0.2432 0.0285  0.0577  -0.0874 34  GLY A CA  
150  C C   . GLY A 20  ? 0.3675 0.2085 0.2955 0.0452  0.0632  -0.0886 34  GLY A C   
151  O O   . GLY A 20  ? 0.3574 0.2101 0.3132 0.0430  0.0488  -0.0714 34  GLY A O   
152  N N   . ALA A 21  ? 0.3788 0.2220 0.3235 0.0377  0.0662  -0.0970 35  ALA A N   
153  C CA  . ALA A 21  ? 0.3894 0.2332 0.3653 0.0553  0.0506  -0.1047 35  ALA A CA  
154  C C   . ALA A 21  ? 0.3949 0.2555 0.3791 0.0606  0.0405  -0.0953 35  ALA A C   
155  O O   . ALA A 21  ? 0.4236 0.2717 0.3976 0.0677  0.0153  -0.0795 35  ALA A O   
156  C CB  . ALA A 21  ? 0.3957 0.2385 0.3758 0.0445  0.0533  -0.1036 35  ALA A CB  
157  N N   . ASP A 22  ? 0.3881 0.2551 0.3518 0.0585  0.0560  -0.1030 36  ASP A N   
158  C CA  . ASP A 22  ? 0.3897 0.2639 0.3331 0.0439  0.0508  -0.0918 36  ASP A CA  
159  C C   . ASP A 22  ? 0.3506 0.2374 0.3008 0.0327  0.0531  -0.0954 36  ASP A C   
160  O O   . ASP A 22  ? 0.3609 0.2584 0.2978 -0.0031 0.0597  -0.1146 36  ASP A O   
161  C CB  . ASP A 22  ? 0.4108 0.2819 0.3170 0.0354  0.0455  -0.1065 36  ASP A CB  
162  C CG  . ASP A 22  ? 0.4255 0.3067 0.3040 0.0184  0.0311  -0.0939 36  ASP A CG  
163  O OD1 . ASP A 22  ? 0.4049 0.3043 0.2672 0.0276  0.0503  -0.0953 36  ASP A OD1 
164  O OD2 . ASP A 22  ? 0.4471 0.3230 0.3507 0.0033  0.0057  -0.0713 36  ASP A OD2 
165  N N   . GLY A 23  ? 0.3101 0.2028 0.2502 0.0499  0.0351  -0.0762 37  GLY A N   
166  C CA  . GLY A 23  ? 0.2849 0.1884 0.2021 0.0438  0.0258  -0.0692 37  GLY A CA  
167  C C   . GLY A 23  ? 0.2550 0.1862 0.1696 0.0383  0.0258  -0.0528 37  GLY A C   
168  O O   . GLY A 23  ? 0.2447 0.1957 0.1677 0.0568  0.0104  -0.0503 37  GLY A O   
169  N N   . ALA A 24  ? 0.2635 0.1809 0.1774 0.0164  0.0457  -0.0411 38  ALA A N   
170  C CA  . ALA A 24  ? 0.2749 0.1870 0.1720 0.0108  0.0215  -0.0537 38  ALA A CA  
171  C C   . ALA A 24  ? 0.2787 0.1688 0.1830 0.0191  0.0210  -0.0325 38  ALA A C   
172  O O   . ALA A 24  ? 0.2740 0.1602 0.2213 0.0224  0.0457  -0.0235 38  ALA A O   
173  C CB  . ALA A 24  ? 0.3015 0.2241 0.1898 0.0085  -0.0237 -0.0491 38  ALA A CB  
174  N N   . LEU A 25  ? 0.2640 0.1589 0.1554 0.0235  0.0159  -0.0242 39  LEU A N   
175  C CA  . LEU A 25  ? 0.2622 0.1372 0.1440 0.0053  0.0149  -0.0274 39  LEU A CA  
176  C C   . LEU A 25  ? 0.2690 0.1421 0.1583 0.0030  0.0004  -0.0230 39  LEU A C   
177  O O   . LEU A 25  ? 0.2679 0.1338 0.1531 0.0109  0.0101  -0.0321 39  LEU A O   
178  C CB  . LEU A 25  ? 0.2811 0.1384 0.1348 0.0117  0.0158  -0.0270 39  LEU A CB  
179  C CG  . LEU A 25  ? 0.2739 0.1258 0.1420 0.0064  0.0089  -0.0177 39  LEU A CG  
180  C CD1 . LEU A 25  ? 0.2575 0.1429 0.1447 0.0168  -0.0102 -0.0287 39  LEU A CD1 
181  C CD2 . LEU A 25  ? 0.2800 0.1076 0.1713 -0.0080 0.0207  -0.0121 39  LEU A CD2 
182  N N   . THR A 26  ? 0.2640 0.1524 0.1403 -0.0207 0.0187  -0.0221 40  THR A N   
183  C CA  . THR A 26  ? 0.2637 0.1572 0.1479 -0.0195 0.0085  -0.0223 40  THR A CA  
184  C C   . THR A 26  ? 0.2576 0.1634 0.1737 0.0056  0.0232  0.0004  40  THR A C   
185  O O   . THR A 26  ? 0.2795 0.1904 0.2041 0.0299  0.0178  0.0268  40  THR A O   
186  C CB  . THR A 26  ? 0.2996 0.1592 0.1778 -0.0371 0.0418  -0.0198 40  THR A CB  
187  O OG1 . THR A 26  ? 0.3398 0.1593 0.1903 -0.0319 0.0477  -0.0365 40  THR A OG1 
188  C CG2 . THR A 26  ? 0.3016 0.1725 0.1849 -0.0243 0.0761  -0.0184 40  THR A CG2 
189  N N   . GLY A 27  ? 0.2477 0.1487 0.1457 0.0007  0.0154  0.0005  41  GLY A N   
190  C CA  . GLY A 27  ? 0.2553 0.1356 0.1746 -0.0131 0.0397  0.0013  41  GLY A CA  
191  C C   . GLY A 27  ? 0.2492 0.1343 0.1543 -0.0102 0.0520  -0.0069 41  GLY A C   
192  O O   . GLY A 27  ? 0.2494 0.1363 0.1576 -0.0199 0.0157  -0.0231 41  GLY A O   
193  N N   . THR A 28  ? 0.2514 0.1348 0.1620 -0.0156 0.0461  -0.0082 42  THR A N   
194  C CA  . THR A 28  ? 0.2760 0.1529 0.1673 -0.0232 0.0358  -0.0132 42  THR A CA  
195  C C   . THR A 28  ? 0.2708 0.1572 0.1621 -0.0217 0.0440  -0.0096 42  THR A C   
196  O O   . THR A 28  ? 0.3040 0.1658 0.1636 -0.0172 0.0493  -0.0032 42  THR A O   
197  C CB  . THR A 28  ? 0.3091 0.1698 0.1779 -0.0303 0.0300  0.0032  42  THR A CB  
198  O OG1 . THR A 28  ? 0.3213 0.1769 0.2097 -0.0303 0.0499  0.0138  42  THR A OG1 
199  C CG2 . THR A 28  ? 0.3145 0.1851 0.1487 -0.0245 0.0364  -0.0007 42  THR A CG2 
200  N N   . TYR A 29  ? 0.2693 0.1599 0.1594 -0.0138 0.0379  0.0008  43  TYR A N   
201  C CA  . TYR A 29  ? 0.2652 0.1504 0.1366 -0.0073 0.0438  -0.0021 43  TYR A CA  
202  C C   . TYR A 29  ? 0.2612 0.1606 0.1326 -0.0140 0.0407  0.0052  43  TYR A C   
203  O O   . TYR A 29  ? 0.2625 0.1841 0.1375 -0.0207 0.0260  0.0095  43  TYR A O   
204  C CB  . TYR A 29  ? 0.2626 0.1474 0.1614 -0.0193 0.0433  -0.0018 43  TYR A CB  
205  C CG  . TYR A 29  ? 0.2589 0.1330 0.1520 -0.0264 0.0411  0.0065  43  TYR A CG  
206  C CD1 . TYR A 29  ? 0.2691 0.1335 0.1562 -0.0326 0.0504  -0.0114 43  TYR A CD1 
207  C CD2 . TYR A 29  ? 0.2737 0.1357 0.1628 -0.0260 0.0338  0.0147  43  TYR A CD2 
208  C CE1 . TYR A 29  ? 0.2791 0.1296 0.1675 -0.0418 0.0389  -0.0129 43  TYR A CE1 
209  C CE2 . TYR A 29  ? 0.2771 0.1218 0.1691 -0.0215 0.0573  -0.0162 43  TYR A CE2 
210  C CZ  . TYR A 29  ? 0.2673 0.1180 0.1723 -0.0377 0.0474  -0.0090 43  TYR A CZ  
211  O OH  . TYR A 29  ? 0.2689 0.1319 0.1615 -0.0367 0.0434  -0.0072 43  TYR A OH  
212  N N   . GLU A 30  ? 0.2569 0.1595 0.1633 -0.0120 0.0575  -0.0122 44  GLU A N   
213  C CA  . GLU A 30  ? 0.2782 0.1707 0.1828 -0.0048 0.0579  -0.0010 44  GLU A CA  
214  C C   . GLU A 30  ? 0.2812 0.1681 0.1827 0.0037  0.0690  0.0026  44  GLU A C   
215  O O   . GLU A 30  ? 0.2839 0.1835 0.1821 0.0042  0.0569  0.0055  44  GLU A O   
216  C CB  . GLU A 30  ? 0.2821 0.1906 0.2278 -0.0032 0.0690  -0.0031 44  GLU A CB  
217  C CG  . GLU A 30  ? 0.3113 0.2271 0.2975 -0.0152 0.0650  -0.0166 44  GLU A CG  
218  C CD  . GLU A 30  ? 0.3266 0.2529 0.3677 -0.0272 0.0776  -0.0034 44  GLU A CD  
219  O OE1 . GLU A 30  ? 0.3207 0.2529 0.4091 -0.0479 0.0714  -0.0112 44  GLU A OE1 
220  O OE2 . GLU A 30  ? 0.3508 0.2723 0.4177 -0.0215 0.0673  -0.0005 44  GLU A OE2 
221  N N   . SER A 31  ? 0.3098 0.1718 0.1993 0.0208  0.0624  -0.0113 45  SER A N   
222  C CA  . SER A 31  ? 0.3370 0.1731 0.2319 0.0158  0.0775  -0.0221 45  SER A CA  
223  C C   . SER A 31  ? 0.3751 0.2135 0.2372 -0.0036 0.0617  -0.0199 45  SER A C   
224  O O   . SER A 31  ? 0.3865 0.2433 0.2672 -0.0016 0.0671  -0.0342 45  SER A O   
225  C CB  . SER A 31  ? 0.3441 0.1739 0.2599 -0.0085 0.0776  -0.0093 45  SER A CB  
226  O OG  . SER A 31  ? 0.3462 0.1948 0.2656 0.0017  0.0768  -0.0101 45  SER A OG  
227  N N   . ALA A 32  ? 0.3902 0.2208 0.2407 -0.0050 0.0796  -0.0179 46  ALA A N   
228  C CA  . ALA A 32  ? 0.4063 0.2422 0.2396 -0.0160 0.0961  -0.0176 46  ALA A CA  
229  C C   . ALA A 32  ? 0.4009 0.2459 0.2405 -0.0261 0.0953  -0.0276 46  ALA A C   
230  O O   . ALA A 32  ? 0.4215 0.2642 0.2602 -0.0407 0.1166  -0.0403 46  ALA A O   
231  C CB  . ALA A 32  ? 0.4326 0.2664 0.2756 0.0007  0.0955  0.0017  46  ALA A CB  
232  N N   . VAL A 33  ? 0.3782 0.2330 0.2153 -0.0155 0.0686  -0.0294 47  VAL A N   
233  C CA  . VAL A 33  ? 0.3540 0.2229 0.2053 -0.0219 0.0578  -0.0533 47  VAL A CA  
234  C C   . VAL A 33  ? 0.3449 0.2314 0.2270 -0.0306 0.0627  -0.0295 47  VAL A C   
235  O O   . VAL A 33  ? 0.3318 0.2293 0.2544 -0.0275 0.0678  -0.0235 47  VAL A O   
236  C CB  . VAL A 33  ? 0.3576 0.2407 0.2453 -0.0042 0.0347  -0.0366 47  VAL A CB  
237  C CG1 . VAL A 33  ? 0.3587 0.2399 0.2425 0.0064  0.0204  -0.0301 47  VAL A CG1 
238  C CG2 . VAL A 33  ? 0.3501 0.2456 0.2863 0.0050  0.0128  -0.0330 47  VAL A CG2 
239  N N   . GLY A 34  ? 0.3197 0.2325 0.2037 -0.0365 0.0420  -0.0092 48  GLY A N   
240  C CA  . GLY A 34  ? 0.3336 0.2402 0.2065 -0.0272 0.0374  -0.0078 48  GLY A CA  
241  C C   . GLY A 34  ? 0.3330 0.2498 0.2006 -0.0085 0.0526  0.0007  48  GLY A C   
242  O O   . GLY A 34  ? 0.3309 0.2778 0.1900 0.0071  0.0708  0.0042  48  GLY A O   
243  N N   . ASN A 35  ? 0.3290 0.2525 0.2010 0.0082  0.0393  -0.0153 49  ASN A N   
244  C CA  . ASN A 35  ? 0.3480 0.2578 0.2246 0.0031  0.0324  -0.0260 49  ASN A CA  
245  C C   . ASN A 35  ? 0.3479 0.2641 0.2353 0.0071  0.0366  -0.0417 49  ASN A C   
246  O O   . ASN A 35  ? 0.3377 0.2766 0.2184 0.0207  0.0370  -0.0367 49  ASN A O   
247  C CB  . ASN A 35  ? 0.3714 0.2638 0.2569 0.0064  0.0309  -0.0066 49  ASN A CB  
248  C CG  . ASN A 35  ? 0.3923 0.2767 0.2942 0.0187  0.0241  0.0107  49  ASN A CG  
249  O OD1 . ASN A 35  ? 0.4074 0.2731 0.3359 0.0133  0.0056  0.0006  49  ASN A OD1 
250  N ND2 . ASN A 35  ? 0.4021 0.2909 0.2837 0.0326  0.0182  0.0349  49  ASN A ND2 
251  N N   . ALA A 36  ? 0.3447 0.2538 0.2701 0.0094  0.0125  -0.0515 50  ALA A N   
252  C CA  . ALA A 36  ? 0.3164 0.2510 0.2553 0.0060  -0.0009 -0.0559 50  ALA A CA  
253  C C   . ALA A 36  ? 0.2966 0.2587 0.2601 0.0094  0.0234  -0.0495 50  ALA A C   
254  O O   . ALA A 36  ? 0.2973 0.2692 0.2903 0.0064  0.0360  -0.0671 50  ALA A O   
255  C CB  . ALA A 36  ? 0.3088 0.2425 0.2427 0.0224  -0.0148 -0.0539 50  ALA A CB  
256  N N   . GLU A 37  ? 0.2756 0.2541 0.2395 0.0129  0.0097  -0.0378 51  GLU A N   
257  C CA  . GLU A 37  ? 0.2901 0.2600 0.2477 0.0159  0.0143  -0.0404 51  GLU A CA  
258  C C   . GLU A 37  ? 0.2645 0.2509 0.2328 -0.0043 0.0348  -0.0390 51  GLU A C   
259  O O   . GLU A 37  ? 0.2747 0.2657 0.2107 -0.0173 0.0516  -0.0403 51  GLU A O   
260  C CB  . GLU A 37  ? 0.3134 0.2818 0.2812 0.0146  -0.0065 -0.0438 51  GLU A CB  
261  C CG  . GLU A 37  ? 0.3314 0.3001 0.3002 0.0294  -0.0162 -0.0430 51  GLU A CG  
262  C CD  . GLU A 37  ? 0.3498 0.3205 0.3025 0.0393  -0.0221 -0.0468 51  GLU A CD  
263  O OE1 . GLU A 37  ? 0.3570 0.3329 0.3036 0.0383  -0.0089 -0.0505 51  GLU A OE1 
264  O OE2 . GLU A 37  ? 0.3629 0.3349 0.3423 0.0472  -0.0138 -0.0280 51  GLU A OE2 
265  N N   . SER A 38  ? 0.2520 0.2445 0.2632 -0.0141 0.0430  -0.0206 52  SER A N   
266  C CA  . SER A 38  ? 0.2802 0.2503 0.3020 -0.0195 0.0435  -0.0479 52  SER A CA  
267  C C   . SER A 38  ? 0.2585 0.2242 0.2682 -0.0346 0.0552  -0.0256 52  SER A C   
268  O O   . SER A 38  ? 0.2558 0.2103 0.2877 -0.0260 0.0716  -0.0112 52  SER A O   
269  C CB  . SER A 38  ? 0.3237 0.2716 0.3632 -0.0135 0.0053  -0.0897 52  SER A CB  
270  O OG  . SER A 38  ? 0.3509 0.2972 0.4265 -0.0196 -0.0150 -0.0953 52  SER A OG  
271  N N   . ARG A 39  ? 0.2656 0.2180 0.2074 -0.0434 0.0573  -0.0090 53  ARG A N   
272  C CA  . ARG A 39  ? 0.2783 0.2067 0.2155 -0.0512 0.0575  -0.0037 53  ARG A CA  
273  C C   . ARG A 39  ? 0.2430 0.1848 0.1727 -0.0567 0.0436  -0.0006 53  ARG A C   
274  O O   . ARG A 39  ? 0.2229 0.2050 0.1880 -0.0554 0.0260  -0.0021 53  ARG A O   
275  C CB  . ARG A 39  ? 0.3127 0.2106 0.2654 -0.0620 0.0713  -0.0071 53  ARG A CB  
276  C CG  . ARG A 39  ? 0.3433 0.2115 0.2798 -0.0674 0.0957  -0.0022 53  ARG A CG  
277  C CD  . ARG A 39  ? 0.3899 0.2252 0.3129 -0.0726 0.1079  -0.0026 53  ARG A CD  
278  N NE  . ARG A 39  ? 0.4193 0.2474 0.3363 -0.0640 0.1133  0.0004  53  ARG A NE  
279  C CZ  . ARG A 39  ? 0.4440 0.2606 0.3375 -0.0529 0.1140  0.0018  53  ARG A CZ  
280  N NH1 . ARG A 39  ? 0.4754 0.2770 0.3380 -0.0237 0.0885  -0.0191 53  ARG A NH1 
281  N NH2 . ARG A 39  ? 0.4430 0.2631 0.3524 -0.0686 0.1057  0.0101  53  ARG A NH2 
282  N N   . TYR A 40  ? 0.2320 0.1741 0.1554 -0.0449 0.0432  -0.0048 54  TYR A N   
283  C CA  . TYR A 40  ? 0.2338 0.1582 0.1477 -0.0418 0.0256  -0.0104 54  TYR A CA  
284  C C   . TYR A 40  ? 0.2365 0.1582 0.1446 -0.0183 0.0213  -0.0083 54  TYR A C   
285  O O   . TYR A 40  ? 0.2371 0.1663 0.1573 -0.0046 0.0261  0.0067  54  TYR A O   
286  C CB  . TYR A 40  ? 0.2279 0.1508 0.1620 -0.0259 -0.0055 -0.0087 54  TYR A CB  
287  C CG  . TYR A 40  ? 0.2182 0.1392 0.1640 -0.0053 0.0193  -0.0132 54  TYR A CG  
288  C CD1 . TYR A 40  ? 0.2297 0.1445 0.1820 -0.0012 0.0258  -0.0111 54  TYR A CD1 
289  C CD2 . TYR A 40  ? 0.2257 0.1283 0.1797 0.0065  0.0003  -0.0112 54  TYR A CD2 
290  C CE1 . TYR A 40  ? 0.2501 0.1417 0.1885 0.0050  0.0222  -0.0044 54  TYR A CE1 
291  C CE2 . TYR A 40  ? 0.2306 0.1495 0.1844 0.0052  0.0204  -0.0263 54  TYR A CE2 
292  C CZ  . TYR A 40  ? 0.2433 0.1475 0.1934 0.0091  0.0410  -0.0235 54  TYR A CZ  
293  O OH  . TYR A 40  ? 0.2381 0.1792 0.2291 0.0090  0.0540  0.0033  54  TYR A OH  
294  N N   . VAL A 41  ? 0.2446 0.1511 0.1390 -0.0077 0.0329  -0.0312 55  VAL A N   
295  C CA  . VAL A 41  ? 0.2361 0.1592 0.1297 -0.0126 0.0266  -0.0312 55  VAL A CA  
296  C C   . VAL A 41  ? 0.2147 0.1615 0.1454 -0.0139 0.0202  -0.0212 55  VAL A C   
297  O O   . VAL A 41  ? 0.2043 0.1568 0.1566 -0.0182 0.0178  -0.0065 55  VAL A O   
298  C CB  . VAL A 41  ? 0.2390 0.1763 0.1328 -0.0141 0.0215  -0.0299 55  VAL A CB  
299  C CG1 . VAL A 41  ? 0.2286 0.1968 0.1702 -0.0093 0.0172  -0.0100 55  VAL A CG1 
300  C CG2 . VAL A 41  ? 0.2701 0.1867 0.1515 -0.0450 -0.0326 -0.0591 55  VAL A CG2 
301  N N   . LEU A 42  ? 0.2315 0.1465 0.1514 -0.0057 0.0246  -0.0200 56  LEU A N   
302  C CA  . LEU A 42  ? 0.2410 0.1561 0.1554 0.0062  0.0165  -0.0225 56  LEU A CA  
303  C C   . LEU A 42  ? 0.2137 0.1455 0.1533 -0.0030 0.0308  -0.0247 56  LEU A C   
304  O O   . LEU A 42  ? 0.2358 0.1389 0.1757 -0.0151 0.0266  -0.0313 56  LEU A O   
305  C CB  . LEU A 42  ? 0.2521 0.1550 0.1489 0.0145  0.0115  0.0099  56  LEU A CB  
306  C CG  . LEU A 42  ? 0.2709 0.1547 0.1579 -0.0087 0.0203  0.0201  56  LEU A CG  
307  C CD1 . LEU A 42  ? 0.2842 0.1470 0.1891 -0.0082 0.0176  -0.0143 56  LEU A CD1 
308  C CD2 . LEU A 42  ? 0.2959 0.1815 0.1715 -0.0138 0.0229  0.0267  56  LEU A CD2 
309  N N   . THR A 43  ? 0.2177 0.1568 0.1484 -0.0104 0.0025  -0.0083 57  THR A N   
310  C CA  . THR A 43  ? 0.2189 0.1494 0.1203 -0.0093 -0.0080 -0.0138 57  THR A CA  
311  C C   . THR A 43  ? 0.1930 0.1446 0.1290 -0.0005 -0.0021 -0.0146 57  THR A C   
312  O O   . THR A 43  ? 0.1778 0.1328 0.1426 -0.0023 0.0086  -0.0177 57  THR A O   
313  C CB  . THR A 43  ? 0.2578 0.1581 0.1530 -0.0278 -0.0451 0.0119  57  THR A CB  
314  O OG1 . THR A 43  ? 0.2658 0.1685 0.1920 -0.0041 -0.0103 -0.0040 57  THR A OG1 
315  C CG2 . THR A 43  ? 0.3136 0.1815 0.1974 -0.0224 -0.0317 0.0361  57  THR A CG2 
316  N N   . GLY A 44  ? 0.2426 0.1434 0.1239 0.0110  -0.0103 -0.0215 58  GLY A N   
317  C CA  . GLY A 44  ? 0.2526 0.1416 0.1284 0.0393  -0.0138 -0.0353 58  GLY A CA  
318  C C   . GLY A 44  ? 0.2331 0.1352 0.1193 0.0333  0.0131  -0.0351 58  GLY A C   
319  O O   . GLY A 44  ? 0.2391 0.1335 0.1303 0.0227  0.0067  -0.0368 58  GLY A O   
320  N N   . ARG A 45  ? 0.2399 0.1371 0.1246 0.0354  -0.0015 -0.0112 59  ARG A N   
321  C CA  . ARG A 45  ? 0.2584 0.1554 0.1439 0.0484  0.0059  0.0000  59  ARG A CA  
322  C C   . ARG A 45  ? 0.2509 0.1513 0.1252 0.0422  0.0018  -0.0052 59  ARG A C   
323  O O   . ARG A 45  ? 0.2595 0.1592 0.1159 0.0344  0.0300  -0.0159 59  ARG A O   
324  C CB  . ARG A 45  ? 0.2589 0.1807 0.1286 0.0379  0.0248  -0.0017 59  ARG A CB  
325  C CG  . ARG A 45  ? 0.2812 0.1924 0.1268 0.0348  0.0132  -0.0090 59  ARG A CG  
326  C CD  . ARG A 45  ? 0.2774 0.2013 0.1734 0.0390  0.0114  -0.0215 59  ARG A CD  
327  N NE  . ARG A 45  ? 0.2538 0.2106 0.1456 0.0283  0.0504  -0.0161 59  ARG A NE  
328  C CZ  . ARG A 45  ? 0.2693 0.2337 0.1612 0.0106  0.0585  -0.0358 59  ARG A CZ  
329  N NH1 . ARG A 45  ? 0.2894 0.2432 0.1630 -0.0030 0.0470  -0.0554 59  ARG A NH1 
330  N NH2 . ARG A 45  ? 0.2548 0.2397 0.1748 0.0088  0.0726  -0.0297 59  ARG A NH2 
331  N N   . TYR A 46  ? 0.2666 0.1532 0.1430 0.0483  -0.0234 -0.0191 60  TYR A N   
332  C CA  . TYR A 46  ? 0.2718 0.1442 0.1312 0.0487  0.0038  -0.0100 60  TYR A CA  
333  C C   . TYR A 46  ? 0.2651 0.1568 0.1272 0.0604  0.0109  0.0080  60  TYR A C   
334  O O   . TYR A 46  ? 0.2761 0.1706 0.1669 0.0546  0.0211  -0.0353 60  TYR A O   
335  C CB  . TYR A 46  ? 0.2846 0.1347 0.1711 0.0192  0.0200  -0.0211 60  TYR A CB  
336  C CG  . TYR A 46  ? 0.2841 0.1331 0.2062 0.0105  0.0247  -0.0233 60  TYR A CG  
337  C CD1 . TYR A 46  ? 0.3063 0.1369 0.2149 0.0108  0.0292  -0.0517 60  TYR A CD1 
338  C CD2 . TYR A 46  ? 0.2961 0.1503 0.2620 0.0111  0.0366  -0.0039 60  TYR A CD2 
339  C CE1 . TYR A 46  ? 0.3301 0.1583 0.2482 0.0223  0.0383  -0.0459 60  TYR A CE1 
340  C CE2 . TYR A 46  ? 0.3101 0.1597 0.2602 0.0052  0.0363  -0.0315 60  TYR A CE2 
341  C CZ  . TYR A 46  ? 0.3253 0.1513 0.2720 0.0273  0.0417  -0.0452 60  TYR A CZ  
342  O OH  . TYR A 46  ? 0.3508 0.1679 0.3222 0.0356  0.0294  -0.0394 60  TYR A OH  
343  N N   . ASP A 47  ? 0.2711 0.1566 0.1733 0.0614  0.0012  0.0090  61  ASP A N   
344  C CA  . ASP A 47  ? 0.2807 0.1696 0.1565 0.0639  -0.0174 -0.0101 61  ASP A CA  
345  C C   . ASP A 47  ? 0.3067 0.1780 0.1691 0.0703  -0.0060 -0.0262 61  ASP A C   
346  O O   . ASP A 47  ? 0.3197 0.1903 0.1736 0.0487  0.0079  -0.0136 61  ASP A O   
347  C CB  . ASP A 47  ? 0.2773 0.1800 0.1523 0.0652  -0.0121 -0.0300 61  ASP A CB  
348  C CG  . ASP A 47  ? 0.2831 0.1914 0.1574 0.0679  -0.0044 -0.0356 61  ASP A CG  
349  O OD1 . ASP A 47  ? 0.2619 0.1911 0.1802 0.0502  0.0016  -0.0253 61  ASP A OD1 
350  O OD2 . ASP A 47  ? 0.2972 0.2070 0.1726 0.0872  -0.0055 -0.0335 61  ASP A OD2 
351  N N   . SER A 48  ? 0.3135 0.1828 0.1956 0.0627  0.0212  -0.0380 62  SER A N   
352  C CA  . SER A 48  ? 0.3447 0.1987 0.2260 0.0496  0.0085  -0.0483 62  SER A CA  
353  C C   . SER A 48  ? 0.3298 0.1879 0.2442 0.0656  0.0090  -0.0339 62  SER A C   
354  O O   . SER A 48  ? 0.3257 0.1892 0.2764 0.0654  -0.0019 -0.0409 62  SER A O   
355  C CB  . SER A 48  ? 0.3884 0.2252 0.2303 0.0310  0.0158  -0.0530 62  SER A CB  
356  O OG  . SER A 48  ? 0.4212 0.2432 0.2533 0.0144  0.0564  -0.0657 62  SER A OG  
357  N N   . ALA A 49  ? 0.3195 0.1942 0.2374 0.0721  0.0189  -0.0243 63  ALA A N   
358  C CA  . ALA A 49  ? 0.3182 0.2072 0.2461 0.0738  0.0097  -0.0304 63  ALA A CA  
359  C C   . ALA A 49  ? 0.3160 0.2094 0.2630 0.0727  -0.0026 -0.0179 63  ALA A C   
360  O O   . ALA A 49  ? 0.3147 0.2210 0.2746 0.0779  -0.0121 -0.0009 63  ALA A O   
361  C CB  . ALA A 49  ? 0.3050 0.2161 0.2802 0.0810  0.0124  -0.0222 63  ALA A CB  
362  N N   . PRO A 50  ? 0.3176 0.2157 0.2718 0.0721  -0.0080 0.0053  64  PRO A N   
363  C CA  . PRO A 50  ? 0.3228 0.2214 0.2492 0.0649  0.0050  0.0098  64  PRO A CA  
364  C C   . PRO A 50  ? 0.3305 0.2350 0.2460 0.0701  0.0109  0.0131  64  PRO A C   
365  O O   . PRO A 50  ? 0.3285 0.2165 0.2599 0.0750  -0.0047 0.0288  64  PRO A O   
366  C CB  . PRO A 50  ? 0.3292 0.2155 0.2616 0.0517  0.0237  0.0106  64  PRO A CB  
367  C CG  . PRO A 50  ? 0.3304 0.2215 0.2543 0.0532  0.0193  0.0085  64  PRO A CG  
368  C CD  . PRO A 50  ? 0.3251 0.2152 0.2679 0.0524  0.0148  0.0230  64  PRO A CD  
369  N N   . ALA A 51  ? 0.3310 0.2645 0.2329 0.0729  -0.0124 0.0361  65  ALA A N   
370  C CA  . ALA A 51  ? 0.3503 0.2885 0.2321 0.0896  0.0042  0.0442  65  ALA A CA  
371  C C   . ALA A 51  ? 0.3628 0.3110 0.2656 0.1253  0.0190  0.0535  65  ALA A C   
372  O O   . ALA A 51  ? 0.3743 0.3093 0.2833 0.1461  0.0227  0.0599  65  ALA A O   
373  C CB  . ALA A 51  ? 0.3637 0.2932 0.2350 0.0655  0.0378  0.0374  65  ALA A CB  
374  N N   . THR A 52  ? 0.3794 0.3457 0.2945 0.1266  -0.0006 0.0437  66  THR A N   
375  C CA  . THR A 52  ? 0.3933 0.3699 0.3106 0.1257  -0.0122 0.0589  66  THR A CA  
376  C C   . THR A 52  ? 0.4041 0.3895 0.3175 0.1151  -0.0569 0.0812  66  THR A C   
377  O O   . THR A 52  ? 0.4260 0.3950 0.3612 0.1128  -0.0572 0.0825  66  THR A O   
378  C CB  . THR A 52  ? 0.4061 0.3851 0.3487 0.1258  0.0068  0.0556  66  THR A CB  
379  O OG1 . THR A 52  ? 0.4119 0.3973 0.3731 0.1277  0.0047  0.0541  66  THR A OG1 
380  C CG2 . THR A 52  ? 0.4087 0.3847 0.3582 0.1271  0.0145  0.0591  66  THR A CG2 
381  N N   . ASP A 53  ? 0.3948 0.4026 0.3011 0.1035  -0.0595 0.0759  67  ASP A N   
382  C CA  . ASP A 53  ? 0.3898 0.4197 0.2990 0.0884  -0.0752 0.0739  67  ASP A CA  
383  C C   . ASP A 53  ? 0.3913 0.4211 0.2904 0.0883  -0.0495 0.0697  67  ASP A C   
384  O O   . ASP A 53  ? 0.4223 0.4446 0.3207 0.0778  -0.0668 0.0591  67  ASP A O   
385  C CB  . ASP A 53  ? 0.3919 0.4372 0.3174 0.0767  -0.1054 0.0733  67  ASP A CB  
386  C CG  . ASP A 53  ? 0.4033 0.4501 0.3268 0.0537  -0.0999 0.0570  67  ASP A CG  
387  O OD1 . ASP A 53  ? 0.3805 0.4556 0.2972 0.0483  -0.1100 0.0423  67  ASP A OD1 
388  O OD2 . ASP A 53  ? 0.4300 0.4549 0.3734 0.0402  -0.0889 0.0421  67  ASP A OD2 
389  N N   . GLY A 54  ? 0.3608 0.3927 0.2654 0.1051  -0.0211 0.0856  68  GLY A N   
390  C CA  . GLY A 54  ? 0.3473 0.3729 0.2447 0.1157  -0.0035 0.0849  68  GLY A CA  
391  C C   . GLY A 54  ? 0.3580 0.3516 0.2373 0.1193  0.0299  0.0711  68  GLY A C   
392  O O   . GLY A 54  ? 0.3723 0.3612 0.2705 0.1178  0.0546  0.0692  68  GLY A O   
393  N N   . SER A 55  ? 0.3581 0.3289 0.1879 0.1116  -0.0138 0.0489  69  SER A N   
394  C CA  . SER A 55  ? 0.3590 0.2976 0.1775 0.0992  -0.0308 0.0220  69  SER A CA  
395  C C   . SER A 55  ? 0.3565 0.2652 0.1796 0.1018  -0.0420 0.0213  69  SER A C   
396  O O   . SER A 55  ? 0.3552 0.2625 0.2272 0.1168  -0.0426 0.0170  69  SER A O   
397  C CB  . SER A 55  ? 0.3936 0.3140 0.2096 0.0615  -0.0613 -0.0013 69  SER A CB  
398  O OG  . SER A 55  ? 0.4222 0.3290 0.2511 0.0391  -0.0605 -0.0192 69  SER A OG  
399  N N   . GLY A 56  ? 0.3560 0.2419 0.1511 0.0944  -0.0382 0.0107  70  GLY A N   
400  C CA  . GLY A 56  ? 0.3476 0.2160 0.1551 0.0907  -0.0314 0.0238  70  GLY A CA  
401  C C   . GLY A 56  ? 0.3381 0.1983 0.1503 0.0858  -0.0093 0.0171  70  GLY A C   
402  O O   . GLY A 56  ? 0.3233 0.1941 0.1558 0.0835  -0.0197 0.0103  70  GLY A O   
403  N N   . THR A 57  ? 0.3323 0.1896 0.1344 0.0780  -0.0249 0.0024  71  THR A N   
404  C CA  . THR A 57  ? 0.3527 0.1716 0.1347 0.0692  -0.0210 0.0012  71  THR A CA  
405  C C   . THR A 57  ? 0.3339 0.1601 0.1405 0.0680  -0.0014 0.0028  71  THR A C   
406  O O   . THR A 57  ? 0.3458 0.1637 0.1576 0.0727  -0.0039 -0.0117 71  THR A O   
407  C CB  . THR A 57  ? 0.3655 0.1647 0.1440 0.0789  -0.0205 -0.0028 71  THR A CB  
408  O OG1 . THR A 57  ? 0.3765 0.1616 0.1697 0.0900  -0.0034 -0.0014 71  THR A OG1 
409  C CG2 . THR A 57  ? 0.3576 0.1783 0.1561 0.0841  -0.0171 -0.0186 71  THR A CG2 
410  N N   . ALA A 58  ? 0.3046 0.1559 0.1260 0.0681  -0.0119 -0.0070 72  ALA A N   
411  C CA  . ALA A 58  ? 0.2891 0.1537 0.1229 0.0646  -0.0111 0.0031  72  ALA A CA  
412  C C   . ALA A 58  ? 0.2969 0.1458 0.1326 0.0610  -0.0015 -0.0226 72  ALA A C   
413  O O   . ALA A 58  ? 0.3082 0.1507 0.1549 0.0661  -0.0018 -0.0262 72  ALA A O   
414  C CB  . ALA A 58  ? 0.2847 0.1657 0.1697 0.0690  -0.0300 -0.0144 72  ALA A CB  
415  N N   A LEU A 59  ? 0.2849 0.1487 0.1343 0.0607  -0.0062 -0.0101 73  LEU A N   
416  N N   B LEU A 59  ? 0.2832 0.1422 0.1343 0.0549  -0.0005 -0.0160 73  LEU A N   
417  C CA  A LEU A 59  ? 0.2787 0.1448 0.1217 0.0453  0.0054  0.0060  73  LEU A CA  
418  C CA  B LEU A 59  ? 0.2737 0.1336 0.1242 0.0347  0.0097  -0.0116 73  LEU A CA  
419  C C   A LEU A 59  ? 0.2705 0.1332 0.1022 0.0259  0.0017  -0.0024 73  LEU A C   
420  C C   B LEU A 59  ? 0.2578 0.1307 0.1032 0.0261  0.0112  -0.0128 73  LEU A C   
421  O O   A LEU A 59  ? 0.2895 0.1428 0.1009 0.0143  -0.0177 0.0119  73  LEU A O   
422  O O   B LEU A 59  ? 0.2463 0.1474 0.0923 0.0269  0.0393  -0.0145 73  LEU A O   
423  C CB  A LEU A 59  ? 0.2794 0.1474 0.1378 0.0519  0.0256  0.0212  73  LEU A CB  
424  C CB  B LEU A 59  ? 0.2848 0.1234 0.1444 0.0226  0.0168  -0.0065 73  LEU A CB  
425  C CG  A LEU A 59  ? 0.2912 0.1595 0.1719 0.0442  0.0185  0.0350  73  LEU A CG  
426  C CG  B LEU A 59  ? 0.3043 0.1309 0.1857 -0.0033 0.0103  0.0051  73  LEU A CG  
427  C CD1 A LEU A 59  ? 0.2970 0.1672 0.1934 0.0584  0.0156  0.0353  73  LEU A CD1 
428  C CD1 B LEU A 59  ? 0.2989 0.1306 0.2148 -0.0064 0.0000  0.0118  73  LEU A CD1 
429  C CD2 A LEU A 59  ? 0.2950 0.1601 0.1777 0.0311  0.0100  0.0423  73  LEU A CD2 
430  C CD2 B LEU A 59  ? 0.3213 0.1352 0.1910 -0.0010 0.0045  0.0079  73  LEU A CD2 
431  N N   . GLY A 60  ? 0.2469 0.1164 0.1131 0.0294  -0.0091 0.0045  74  GLY A N   
432  C CA  . GLY A 60  ? 0.2296 0.1139 0.1157 0.0306  -0.0108 0.0015  74  GLY A CA  
433  C C   . GLY A 60  ? 0.2083 0.1202 0.1211 0.0228  0.0021  -0.0123 74  GLY A C   
434  O O   . GLY A 60  ? 0.2218 0.1218 0.1291 0.0259  0.0105  -0.0176 74  GLY A O   
435  N N   . TRP A 61  ? 0.1981 0.1384 0.1259 0.0279  0.0222  -0.0012 75  TRP A N   
436  C CA  . TRP A 61  ? 0.2075 0.1239 0.1114 0.0028  0.0043  0.0098  75  TRP A CA  
437  C C   . TRP A 61  ? 0.2001 0.1201 0.0830 0.0065  0.0191  -0.0197 75  TRP A C   
438  O O   . TRP A 61  ? 0.2162 0.1304 0.0890 0.0046  -0.0056 -0.0115 75  TRP A O   
439  C CB  . TRP A 61  ? 0.2284 0.1274 0.1211 -0.0113 0.0229  -0.0216 75  TRP A CB  
440  C CG  . TRP A 61  ? 0.2420 0.1287 0.1246 -0.0139 0.0343  -0.0015 75  TRP A CG  
441  C CD1 . TRP A 61  ? 0.2499 0.1226 0.1385 -0.0098 0.0395  -0.0113 75  TRP A CD1 
442  C CD2 . TRP A 61  ? 0.2595 0.1313 0.1060 -0.0079 0.0213  -0.0027 75  TRP A CD2 
443  N NE1 . TRP A 61  ? 0.2645 0.1303 0.1081 0.0028  0.0339  -0.0045 75  TRP A NE1 
444  C CE2 . TRP A 61  ? 0.2594 0.1303 0.0990 -0.0135 0.0159  -0.0007 75  TRP A CE2 
445  C CE3 . TRP A 61  ? 0.2635 0.1422 0.1193 -0.0214 -0.0064 0.0098  75  TRP A CE3 
446  C CZ2 . TRP A 61  ? 0.2814 0.1313 0.1167 -0.0124 -0.0033 -0.0015 75  TRP A CZ2 
447  C CZ3 . TRP A 61  ? 0.2741 0.1399 0.1284 -0.0100 0.0108  0.0132  75  TRP A CZ3 
448  C CH2 . TRP A 61  ? 0.2885 0.1340 0.1089 -0.0135 0.0093  -0.0157 75  TRP A CH2 
449  N N   . THR A 62  ? 0.2166 0.1307 0.0869 -0.0080 0.0098  0.0008  76  THR A N   
450  C CA  . THR A 62  ? 0.2145 0.1306 0.0823 0.0093  0.0186  0.0112  76  THR A CA  
451  C C   . THR A 62  ? 0.1935 0.1348 0.1122 0.0049  0.0252  -0.0117 76  THR A C   
452  O O   . THR A 62  ? 0.1970 0.1384 0.1493 -0.0177 0.0137  -0.0227 76  THR A O   
453  C CB  . THR A 62  ? 0.2140 0.1354 0.1055 0.0053  0.0106  0.0095  76  THR A CB  
454  O OG1 . THR A 62  ? 0.1979 0.1305 0.1288 -0.0078 -0.0050 0.0103  76  THR A OG1 
455  C CG2 . THR A 62  ? 0.2351 0.1573 0.1124 -0.0147 0.0056  0.0122  76  THR A CG2 
456  N N   . VAL A 63  ? 0.2054 0.1543 0.1023 -0.0020 0.0126  -0.0068 77  VAL A N   
457  C CA  . VAL A 63  ? 0.1974 0.1543 0.1163 -0.0183 0.0105  -0.0013 77  VAL A CA  
458  C C   . VAL A 63  ? 0.1825 0.1525 0.1295 -0.0202 -0.0214 -0.0098 77  VAL A C   
459  O O   . VAL A 63  ? 0.1858 0.1492 0.1299 -0.0107 -0.0122 -0.0149 77  VAL A O   
460  C CB  . VAL A 63  ? 0.2135 0.1583 0.1388 -0.0234 0.0193  0.0075  77  VAL A CB  
461  C CG1 . VAL A 63  ? 0.2307 0.1508 0.1584 -0.0228 0.0412  -0.0116 77  VAL A CG1 
462  C CG2 . VAL A 63  ? 0.2086 0.1501 0.1540 -0.0224 0.0329  0.0134  77  VAL A CG2 
463  N N   . ALA A 64  ? 0.1790 0.1552 0.1337 -0.0040 -0.0125 0.0039  78  ALA A N   
464  C CA  . ALA A 64  ? 0.2125 0.1604 0.1254 -0.0049 -0.0012 0.0220  78  ALA A CA  
465  C C   . ALA A 64  ? 0.2213 0.1654 0.1390 -0.0006 0.0052  0.0042  78  ALA A C   
466  O O   . ALA A 64  ? 0.2088 0.1562 0.1494 -0.0156 0.0058  -0.0133 78  ALA A O   
467  C CB  . ALA A 64  ? 0.2416 0.1646 0.1196 -0.0056 -0.0060 0.0168  78  ALA A CB  
468  N N   . TRP A 65  ? 0.2136 0.1659 0.1470 0.0014  -0.0001 0.0154  79  TRP A N   
469  C CA  . TRP A 65  ? 0.2110 0.1738 0.1225 -0.0019 0.0108  -0.0083 79  TRP A CA  
470  C C   . TRP A 65  ? 0.2131 0.1843 0.1458 -0.0087 -0.0028 0.0183  79  TRP A C   
471  O O   . TRP A 65  ? 0.2034 0.1795 0.1456 -0.0057 -0.0030 0.0134  79  TRP A O   
472  C CB  . TRP A 65  ? 0.2234 0.1680 0.1388 -0.0055 -0.0022 -0.0095 79  TRP A CB  
473  C CG  . TRP A 65  ? 0.2274 0.1536 0.1334 -0.0004 0.0053  0.0083  79  TRP A CG  
474  C CD1 . TRP A 65  ? 0.2255 0.1373 0.1366 0.0136  0.0110  -0.0034 79  TRP A CD1 
475  C CD2 . TRP A 65  ? 0.2384 0.1412 0.1337 -0.0035 0.0132  0.0110  79  TRP A CD2 
476  N NE1 . TRP A 65  ? 0.2235 0.1347 0.1234 0.0244  0.0168  0.0096  79  TRP A NE1 
477  C CE2 . TRP A 65  ? 0.2336 0.1380 0.1250 0.0020  0.0226  0.0147  79  TRP A CE2 
478  C CE3 . TRP A 65  ? 0.2755 0.1344 0.1381 0.0040  0.0176  0.0114  79  TRP A CE3 
479  C CZ2 . TRP A 65  ? 0.2614 0.1446 0.1396 -0.0059 0.0294  -0.0002 79  TRP A CZ2 
480  C CZ3 . TRP A 65  ? 0.2742 0.1501 0.1490 -0.0127 0.0115  0.0051  79  TRP A CZ3 
481  C CH2 . TRP A 65  ? 0.2713 0.1638 0.1534 -0.0029 0.0188  -0.0055 79  TRP A CH2 
482  N N   . LYS A 66  ? 0.2233 0.1996 0.1227 -0.0206 0.0029  0.0143  80  LYS A N   
483  C CA  . LYS A 66  ? 0.2354 0.1957 0.1107 -0.0231 -0.0009 0.0037  80  LYS A CA  
484  C C   . LYS A 66  ? 0.2398 0.1910 0.1434 -0.0358 -0.0042 -0.0087 80  LYS A C   
485  O O   . LYS A 66  ? 0.2419 0.1861 0.1680 -0.0300 0.0083  0.0022  80  LYS A O   
486  C CB  . LYS A 66  ? 0.2370 0.2104 0.1186 0.0005  -0.0124 0.0054  80  LYS A CB  
487  C CG  . LYS A 66  ? 0.2475 0.2356 0.1334 -0.0155 0.0005  0.0150  80  LYS A CG  
488  C CD  . LYS A 66  ? 0.2897 0.2499 0.1574 -0.0233 -0.0161 0.0118  80  LYS A CD  
489  C CE  . LYS A 66  ? 0.3216 0.2492 0.1779 -0.0411 -0.0224 -0.0060 80  LYS A CE  
490  N NZ  . LYS A 66  ? 0.3634 0.2588 0.2239 -0.0383 -0.0162 -0.0333 80  LYS A NZ  
491  N N   . ASN A 67  ? 0.2261 0.2031 0.1401 -0.0480 0.0006  -0.0180 81  ASN A N   
492  C CA  . ASN A 67  ? 0.2266 0.2072 0.1583 -0.0381 0.0016  -0.0170 81  ASN A CA  
493  C C   . ASN A 67  ? 0.2415 0.2282 0.1740 -0.0313 -0.0015 -0.0309 81  ASN A C   
494  O O   . ASN A 67  ? 0.2449 0.2441 0.1881 -0.0188 -0.0184 0.0026  81  ASN A O   
495  C CB  . ASN A 67  ? 0.2378 0.1893 0.1659 -0.0292 0.0012  -0.0212 81  ASN A CB  
496  C CG  . ASN A 67  ? 0.2422 0.1984 0.1635 -0.0140 -0.0101 -0.0232 81  ASN A CG  
497  O OD1 . ASN A 67  ? 0.2389 0.2138 0.1759 -0.0195 0.0103  -0.0138 81  ASN A OD1 
498  N ND2 . ASN A 67  ? 0.2518 0.2057 0.1859 -0.0393 -0.0200 -0.0194 81  ASN A ND2 
499  N N   . ASN A 68  ? 0.2311 0.2423 0.1909 -0.0373 0.0029  -0.0407 82  ASN A N   
500  C CA  . ASN A 68  ? 0.2623 0.2556 0.2145 -0.0329 -0.0101 -0.0630 82  ASN A CA  
501  C C   . ASN A 68  ? 0.2556 0.2535 0.2389 -0.0254 -0.0045 -0.0334 82  ASN A C   
502  O O   . ASN A 68  ? 0.2616 0.2799 0.2643 -0.0180 -0.0013 -0.0082 82  ASN A O   
503  C CB  . ASN A 68  ? 0.3175 0.2811 0.2663 -0.0280 0.0022  -0.0818 82  ASN A CB  
504  C CG  . ASN A 68  ? 0.3737 0.3261 0.2920 -0.0221 -0.0072 -0.0819 82  ASN A CG  
505  O OD1 . ASN A 68  ? 0.3817 0.3491 0.2863 -0.0176 -0.0035 -0.0792 82  ASN A OD1 
506  N ND2 . ASN A 68  ? 0.4094 0.3426 0.3297 -0.0125 -0.0083 -0.0840 82  ASN A ND2 
507  N N   . TYR A 69  ? 0.2473 0.2304 0.2343 -0.0201 0.0198  -0.0142 83  TYR A N   
508  C CA  . TYR A 69  ? 0.2506 0.2153 0.2568 -0.0155 0.0267  -0.0272 83  TYR A CA  
509  C C   . TYR A 69  ? 0.2483 0.2053 0.2868 -0.0169 0.0265  -0.0270 83  TYR A C   
510  O O   . TYR A 69  ? 0.2657 0.2248 0.3282 -0.0119 0.0240  -0.0218 83  TYR A O   
511  C CB  . TYR A 69  ? 0.2492 0.2214 0.2723 -0.0270 0.0228  -0.0184 83  TYR A CB  
512  C CG  . TYR A 69  ? 0.2579 0.2237 0.2900 -0.0390 0.0189  -0.0341 83  TYR A CG  
513  C CD1 . TYR A 69  ? 0.2725 0.2388 0.3023 -0.0405 0.0262  -0.0306 83  TYR A CD1 
514  C CD2 . TYR A 69  ? 0.2591 0.2241 0.3276 -0.0298 -0.0014 -0.0337 83  TYR A CD2 
515  C CE1 . TYR A 69  ? 0.2756 0.2306 0.3160 -0.0351 0.0121  -0.0369 83  TYR A CE1 
516  C CE2 . TYR A 69  ? 0.2669 0.2296 0.3507 -0.0227 0.0069  -0.0429 83  TYR A CE2 
517  C CZ  . TYR A 69  ? 0.2821 0.2316 0.3502 -0.0329 -0.0006 -0.0466 83  TYR A CZ  
518  O OH  . TYR A 69  ? 0.3107 0.2520 0.3987 -0.0368 0.0027  -0.0351 83  TYR A OH  
519  N N   . ARG A 70  ? 0.2223 0.1962 0.2658 -0.0253 0.0209  -0.0169 84  ARG A N   
520  C CA  . ARG A 70  ? 0.2374 0.2122 0.2465 -0.0286 0.0403  -0.0236 84  ARG A CA  
521  C C   . ARG A 70  ? 0.2208 0.1918 0.2186 -0.0293 0.0147  -0.0101 84  ARG A C   
522  O O   . ARG A 70  ? 0.2154 0.1953 0.2324 0.0012  0.0097  -0.0050 84  ARG A O   
523  C CB  . ARG A 70  ? 0.2886 0.2531 0.2540 -0.0339 0.0453  -0.0345 84  ARG A CB  
524  C CG  . ARG A 70  ? 0.3317 0.2927 0.2609 -0.0341 0.0245  -0.0137 84  ARG A CG  
525  C CD  . ARG A 70  ? 0.3547 0.3269 0.2880 -0.0355 0.0041  -0.0111 84  ARG A CD  
526  N NE  . ARG A 70  ? 0.3797 0.3548 0.3335 -0.0275 -0.0038 -0.0058 84  ARG A NE  
527  C CZ  . ARG A 70  ? 0.4027 0.3757 0.3837 -0.0223 0.0035  -0.0061 84  ARG A CZ  
528  N NH1 . ARG A 70  ? 0.4113 0.3870 0.3969 -0.0240 -0.0054 0.0032  84  ARG A NH1 
529  N NH2 . ARG A 70  ? 0.4179 0.3823 0.4197 -0.0266 0.0089  0.0011  84  ARG A NH2 
530  N N   . ASN A 71  ? 0.2366 0.1811 0.2097 -0.0323 0.0178  -0.0020 85  ASN A N   
531  C CA  . ASN A 71  ? 0.2431 0.1855 0.2115 -0.0273 0.0153  -0.0042 85  ASN A CA  
532  C C   . ASN A 71  ? 0.2423 0.1706 0.1958 -0.0160 0.0183  0.0020  85  ASN A C   
533  O O   . ASN A 71  ? 0.2746 0.1886 0.2089 0.0118  -0.0241 0.0034  85  ASN A O   
534  C CB  . ASN A 71  ? 0.2464 0.1978 0.1988 -0.0264 -0.0021 -0.0156 85  ASN A CB  
535  C CG  . ASN A 71  ? 0.2431 0.1929 0.1791 -0.0206 0.0046  -0.0021 85  ASN A CG  
536  O OD1 . ASN A 71  ? 0.2388 0.1991 0.1630 -0.0102 -0.0327 0.0131  85  ASN A OD1 
537  N ND2 . ASN A 71  ? 0.2581 0.2003 0.1813 -0.0328 0.0272  -0.0024 85  ASN A ND2 
538  N N   . ALA A 72  ? 0.2241 0.1659 0.1824 -0.0150 0.0123  0.0124  86  ALA A N   
539  C CA  . ALA A 72  ? 0.2348 0.1634 0.1794 -0.0148 0.0099  0.0366  86  ALA A CA  
540  C C   . ALA A 72  ? 0.2262 0.1715 0.1777 -0.0082 -0.0028 0.0306  86  ALA A C   
541  O O   . ALA A 72  ? 0.2369 0.1805 0.1944 0.0074  -0.0045 0.0161  86  ALA A O   
542  C CB  . ALA A 72  ? 0.2315 0.1779 0.1888 0.0011  -0.0097 0.0231  86  ALA A CB  
543  N N   . HIS A 73  ? 0.2410 0.1667 0.1587 0.0015  0.0032  0.0369  87  HIS A N   
544  C CA  . HIS A 73  ? 0.2303 0.1627 0.1532 0.0129  -0.0232 0.0235  87  HIS A CA  
545  C C   . HIS A 73  ? 0.2033 0.1578 0.1483 -0.0025 -0.0197 0.0251  87  HIS A C   
546  O O   . HIS A 73  ? 0.2105 0.1518 0.1702 -0.0134 -0.0094 0.0226  87  HIS A O   
547  C CB  . HIS A 73  ? 0.2393 0.1712 0.1568 0.0119  -0.0135 0.0006  87  HIS A CB  
548  C CG  . HIS A 73  ? 0.2513 0.1966 0.1665 0.0201  -0.0177 0.0142  87  HIS A CG  
549  N ND1 . HIS A 73  ? 0.2481 0.2122 0.1574 0.0311  -0.0428 0.0046  87  HIS A ND1 
550  C CD2 . HIS A 73  ? 0.2689 0.2170 0.1930 0.0201  -0.0132 0.0156  87  HIS A CD2 
551  C CE1 . HIS A 73  ? 0.2712 0.2201 0.1838 0.0189  -0.0304 -0.0126 87  HIS A CE1 
552  N NE2 . HIS A 73  ? 0.2796 0.2308 0.2016 0.0291  -0.0200 -0.0055 87  HIS A NE2 
553  N N   . SER A 74  ? 0.1911 0.1540 0.1430 0.0061  -0.0145 0.0121  88  SER A N   
554  C CA  . SER A 74  ? 0.1908 0.1524 0.1218 0.0093  -0.0112 0.0182  88  SER A CA  
555  C C   . SER A 74  ? 0.1891 0.1468 0.1154 0.0091  0.0112  0.0158  88  SER A C   
556  O O   . SER A 74  ? 0.2110 0.1531 0.1164 -0.0005 -0.0101 0.0003  88  SER A O   
557  C CB  . SER A 74  ? 0.2228 0.1636 0.1430 0.0006  0.0032  0.0280  88  SER A CB  
558  O OG  . SER A 74  ? 0.2223 0.1642 0.1580 -0.0050 0.0103  0.0184  88  SER A OG  
559  N N   . ALA A 75  ? 0.2060 0.1489 0.1043 0.0142  0.0090  0.0287  89  ALA A N   
560  C CA  . ALA A 75  ? 0.2179 0.1490 0.0837 0.0162  -0.0035 0.0086  89  ALA A CA  
561  C C   . ALA A 75  ? 0.2029 0.1441 0.0896 0.0076  0.0031  0.0084  89  ALA A C   
562  O O   . ALA A 75  ? 0.2070 0.1497 0.1154 -0.0117 -0.0097 0.0016  89  ALA A O   
563  C CB  . ALA A 75  ? 0.2452 0.1708 0.0891 0.0117  -0.0092 0.0109  89  ALA A CB  
564  N N   . THR A 76  ? 0.2057 0.1463 0.0763 0.0151  0.0010  0.0098  90  THR A N   
565  C CA  . THR A 76  ? 0.1982 0.1397 0.0815 0.0152  0.0303  0.0198  90  THR A CA  
566  C C   . THR A 76  ? 0.2003 0.1295 0.0903 0.0204  0.0034  -0.0121 90  THR A C   
567  O O   . THR A 76  ? 0.1955 0.1308 0.1076 -0.0017 0.0050  -0.0105 90  THR A O   
568  C CB  . THR A 76  ? 0.2196 0.1451 0.0869 -0.0026 0.0233  0.0075  90  THR A CB  
569  O OG1 . THR A 76  ? 0.2107 0.1421 0.1305 -0.0040 0.0236  -0.0132 90  THR A OG1 
570  C CG2 . THR A 76  ? 0.2563 0.1652 0.0740 -0.0172 0.0204  0.0017  90  THR A CG2 
571  N N   . THR A 77  ? 0.2258 0.1336 0.0832 0.0130  -0.0076 0.0099  91  THR A N   
572  C CA  . THR A 77  ? 0.2326 0.1259 0.1023 0.0066  -0.0120 0.0142  91  THR A CA  
573  C C   . THR A 77  ? 0.2473 0.1164 0.1080 0.0066  0.0095  0.0017  91  THR A C   
574  O O   . THR A 77  ? 0.2903 0.1230 0.1085 0.0142  0.0063  -0.0066 91  THR A O   
575  C CB  . THR A 77  ? 0.2331 0.1450 0.1361 -0.0221 -0.0002 -0.0001 91  THR A CB  
576  O OG1 . THR A 77  ? 0.2300 0.1524 0.1365 -0.0288 -0.0115 -0.0019 91  THR A OG1 
577  C CG2 . THR A 77  ? 0.2631 0.1519 0.1220 -0.0150 -0.0023 0.0057  91  THR A CG2 
578  N N   . TRP A 78  ? 0.2316 0.1108 0.0958 0.0165  0.0429  0.0118  92  TRP A N   
579  C CA  . TRP A 78  ? 0.2344 0.1097 0.1116 0.0106  0.0115  0.0059  92  TRP A CA  
580  C C   . TRP A 78  ? 0.2336 0.1201 0.1156 0.0273  0.0157  0.0028  92  TRP A C   
581  O O   . TRP A 78  ? 0.2182 0.1245 0.1180 0.0333  0.0218  -0.0054 92  TRP A O   
582  C CB  . TRP A 78  ? 0.2501 0.1008 0.1192 -0.0005 0.0230  0.0153  92  TRP A CB  
583  C CG  . TRP A 78  ? 0.2482 0.1086 0.0986 0.0078  0.0240  0.0021  92  TRP A CG  
584  C CD1 . TRP A 78  ? 0.2524 0.1158 0.1140 0.0039  0.0242  -0.0059 92  TRP A CD1 
585  C CD2 . TRP A 78  ? 0.2537 0.1093 0.0972 0.0119  0.0133  0.0131  92  TRP A CD2 
586  N NE1 . TRP A 78  ? 0.2542 0.1206 0.1370 0.0103  0.0048  -0.0024 92  TRP A NE1 
587  C CE2 . TRP A 78  ? 0.2451 0.1089 0.1100 0.0062  -0.0030 0.0134  92  TRP A CE2 
588  C CE3 . TRP A 78  ? 0.2665 0.1134 0.1152 0.0136  -0.0008 0.0077  92  TRP A CE3 
589  C CZ2 . TRP A 78  ? 0.2535 0.1029 0.1305 0.0117  0.0128  0.0104  92  TRP A CZ2 
590  C CZ3 . TRP A 78  ? 0.2668 0.1181 0.1284 0.0179  0.0077  0.0088  92  TRP A CZ3 
591  C CH2 . TRP A 78  ? 0.2477 0.1074 0.1235 0.0125  0.0171  0.0136  92  TRP A CH2 
592  N N   . SER A 79  ? 0.2412 0.1209 0.1165 0.0339  0.0106  0.0061  93  SER A N   
593  C CA  . SER A 79  ? 0.2472 0.1246 0.1300 0.0296  -0.0050 0.0138  93  SER A CA  
594  C C   . SER A 79  ? 0.2409 0.1239 0.1141 0.0364  -0.0075 0.0083  93  SER A C   
595  O O   . SER A 79  ? 0.2530 0.1400 0.1152 0.0364  0.0139  0.0024  93  SER A O   
596  C CB  . SER A 79  ? 0.2526 0.1411 0.1630 0.0324  -0.0055 0.0171  93  SER A CB  
597  O OG  . SER A 79  ? 0.2398 0.1571 0.1938 0.0249  -0.0209 0.0220  93  SER A OG  
598  N N   . GLY A 80  ? 0.2463 0.1201 0.1249 0.0495  -0.0046 0.0211  94  GLY A N   
599  C CA  . GLY A 80  ? 0.2586 0.1188 0.1477 0.0527  -0.0194 0.0285  94  GLY A CA  
600  C C   . GLY A 80  ? 0.2535 0.1365 0.1366 0.0386  -0.0101 0.0281  94  GLY A C   
601  O O   . GLY A 80  ? 0.2200 0.1497 0.1333 0.0293  0.0224  0.0008  94  GLY A O   
602  N N   . GLN A 81  ? 0.2821 0.1323 0.1497 0.0499  -0.0146 0.0256  95  GLN A N   
603  C CA  . GLN A 81  ? 0.3105 0.1366 0.1495 0.0497  -0.0209 0.0226  95  GLN A CA  
604  C C   . GLN A 81  ? 0.3118 0.1368 0.1375 0.0536  -0.0119 0.0107  95  GLN A C   
605  O O   . GLN A 81  ? 0.2978 0.1456 0.1399 0.0450  -0.0149 0.0035  95  GLN A O   
606  C CB  . GLN A 81  ? 0.3177 0.1628 0.1540 0.0324  -0.0372 0.0075  95  GLN A CB  
607  C CG  . GLN A 81  ? 0.3395 0.1849 0.1744 0.0457  -0.0415 0.0011  95  GLN A CG  
608  C CD  . GLN A 81  ? 0.3451 0.1955 0.1690 0.0635  -0.0500 -0.0115 95  GLN A CD  
609  O OE1 . GLN A 81  ? 0.3470 0.1943 0.1630 0.0889  -0.0585 -0.0285 95  GLN A OE1 
610  N NE2 . GLN A 81  ? 0.3494 0.2074 0.1691 0.0546  -0.0148 -0.0108 95  GLN A NE2 
611  N N   . TYR A 82  ? 0.3200 0.1248 0.1645 0.0722  -0.0068 0.0140  96  TYR A N   
612  C CA  . TYR A 82  ? 0.3469 0.1502 0.1578 0.0686  -0.0190 0.0016  96  TYR A CA  
613  C C   . TYR A 82  ? 0.3599 0.1656 0.1771 0.0558  0.0001  0.0035  96  TYR A C   
614  O O   . TYR A 82  ? 0.3493 0.1654 0.1735 0.0432  -0.0236 -0.0007 96  TYR A O   
615  C CB  . TYR A 82  ? 0.3691 0.1497 0.1637 0.0790  -0.0247 0.0009  96  TYR A CB  
616  C CG  . TYR A 82  ? 0.3878 0.1396 0.1695 0.0869  -0.0048 0.0098  96  TYR A CG  
617  C CD1 . TYR A 82  ? 0.4058 0.1415 0.1885 0.0789  0.0077  0.0154  96  TYR A CD1 
618  C CD2 . TYR A 82  ? 0.4048 0.1348 0.2410 0.0832  -0.0131 0.0138  96  TYR A CD2 
619  C CE1 . TYR A 82  ? 0.4163 0.1374 0.2171 0.0796  0.0071  0.0026  96  TYR A CE1 
620  C CE2 . TYR A 82  ? 0.4203 0.1328 0.2604 0.0743  -0.0114 0.0116  96  TYR A CE2 
621  C CZ  . TYR A 82  ? 0.4209 0.1286 0.2385 0.0710  -0.0002 0.0171  96  TYR A CZ  
622  O OH  . TYR A 82  ? 0.4585 0.1317 0.2742 0.0519  -0.0064 0.0015  96  TYR A OH  
623  N N   . VAL A 83  ? 0.3931 0.2026 0.1675 0.0541  -0.0186 0.0267  97  VAL A N   
624  C CA  . VAL A 83  ? 0.4463 0.2485 0.2283 0.0525  -0.0228 0.0466  97  VAL A CA  
625  C C   . VAL A 83  ? 0.4803 0.2656 0.2849 0.0751  0.0016  0.0913  97  VAL A C   
626  O O   . VAL A 83  ? 0.4764 0.2573 0.3254 0.0867  0.0208  0.1110  97  VAL A O   
627  C CB  . VAL A 83  ? 0.4671 0.2649 0.2196 0.0352  -0.0646 0.0433  97  VAL A CB  
628  C CG1 . VAL A 83  ? 0.4688 0.2783 0.2582 0.0367  -0.0577 0.0547  97  VAL A CG1 
629  C CG2 . VAL A 83  ? 0.4844 0.2798 0.2374 0.0132  -0.0794 0.0349  97  VAL A CG2 
630  N N   . GLY A 84  ? 0.5114 0.3049 0.3029 0.0711  -0.0088 0.1002  98  GLY A N   
631  C CA  . GLY A 84  ? 0.5534 0.3335 0.3286 0.0789  -0.0115 0.1180  98  GLY A CA  
632  C C   . GLY A 84  ? 0.5894 0.3535 0.3492 0.0654  -0.0171 0.1497  98  GLY A C   
633  O O   . GLY A 84  ? 0.6217 0.3603 0.3480 0.0576  -0.0055 0.1571  98  GLY A O   
634  N N   . GLY A 85  ? 0.5902 0.3753 0.3820 0.0546  -0.0078 0.1490  99  GLY A N   
635  C CA  . GLY A 85  ? 0.6042 0.3966 0.3933 0.0539  -0.0015 0.1420  99  GLY A CA  
636  C C   . GLY A 85  ? 0.6306 0.4080 0.4014 0.0649  0.0170  0.1374  99  GLY A C   
637  O O   . GLY A 85  ? 0.6594 0.4161 0.4072 0.0724  0.0301  0.1214  99  GLY A O   
638  N N   . ALA A 86  ? 0.6292 0.4038 0.4111 0.0699  0.0337  0.1429  100 ALA A N   
639  C CA  . ALA A 86  ? 0.6273 0.4037 0.4444 0.0654  0.0381  0.1309  100 ALA A CA  
640  C C   . ALA A 86  ? 0.6220 0.3903 0.4377 0.0491  0.0260  0.1393  100 ALA A C   
641  O O   . ALA A 86  ? 0.6459 0.4022 0.4799 0.0385  0.0182  0.1309  100 ALA A O   
642  C CB  . ALA A 86  ? 0.6302 0.4087 0.4531 0.0759  0.0419  0.1317  100 ALA A CB  
643  N N   . GLU A 87  ? 0.5868 0.3631 0.3806 0.0635  0.0313  0.1581  101 GLU A N   
644  C CA  . GLU A 87  ? 0.5495 0.3493 0.3622 0.0661  0.0428  0.1369  101 GLU A CA  
645  C C   . GLU A 87  ? 0.5274 0.3162 0.3180 0.0691  0.0436  0.1387  101 GLU A C   
646  O O   . GLU A 87  ? 0.5187 0.3240 0.3156 0.0562  0.0373  0.1293  101 GLU A O   
647  C CB  . GLU A 87  ? 0.5246 0.3646 0.3782 0.0697  0.0549  0.1249  101 GLU A CB  
648  C CG  . GLU A 87  ? 0.5140 0.3745 0.4149 0.0692  0.0601  0.1019  101 GLU A CG  
649  C CD  . GLU A 87  ? 0.5086 0.3827 0.4497 0.0717  0.0549  0.0799  101 GLU A CD  
650  O OE1 . GLU A 87  ? 0.5091 0.3879 0.4597 0.0677  0.0456  0.0792  101 GLU A OE1 
651  O OE2 . GLU A 87  ? 0.5104 0.3859 0.4660 0.0764  0.0677  0.0638  101 GLU A OE2 
652  N N   . ALA A 88  ? 0.5166 0.2824 0.2986 0.0814  0.0577  0.1300  102 ALA A N   
653  C CA  . ALA A 88  ? 0.5057 0.2447 0.2910 0.0777  0.0617  0.1230  102 ALA A CA  
654  C C   . ALA A 88  ? 0.4669 0.2168 0.2540 0.0948  0.0496  0.0961  102 ALA A C   
655  O O   . ALA A 88  ? 0.4697 0.2105 0.2466 0.1087  0.0468  0.0744  102 ALA A O   
656  C CB  . ALA A 88  ? 0.5437 0.2390 0.3141 0.0719  0.0747  0.1200  102 ALA A CB  
657  N N   . ARG A 89  ? 0.4389 0.1941 0.2357 0.0903  0.0574  0.0741  103 ARG A N   
658  C CA  . ARG A 89  ? 0.4076 0.1884 0.1927 0.0735  0.0273  0.0459  103 ARG A CA  
659  C C   . ARG A 89  ? 0.3845 0.1681 0.1886 0.0648  0.0139  0.0424  103 ARG A C   
660  O O   . ARG A 89  ? 0.3988 0.1819 0.2061 0.0687  -0.0089 0.0575  103 ARG A O   
661  C CB  . ARG A 89  ? 0.4175 0.2287 0.2230 0.0437  0.0202  0.0093  103 ARG A CB  
662  C CG  . ARG A 89  ? 0.4242 0.2425 0.2335 0.0185  0.0052  0.0096  103 ARG A CG  
663  C CD  . ARG A 89  ? 0.4226 0.2532 0.2427 0.0181  0.0227  0.0087  103 ARG A CD  
664  N NE  . ARG A 89  ? 0.4225 0.2645 0.2657 -0.0022 0.0293  0.0026  103 ARG A NE  
665  C CZ  . ARG A 89  ? 0.4113 0.2602 0.2641 -0.0245 0.0253  0.0070  103 ARG A CZ  
666  N NH1 . ARG A 89  ? 0.4059 0.2547 0.2629 -0.0311 0.0178  -0.0024 103 ARG A NH1 
667  N NH2 . ARG A 89  ? 0.4171 0.2691 0.2693 -0.0473 0.0282  0.0074  103 ARG A NH2 
668  N N   . ILE A 90  ? 0.3535 0.1338 0.1579 0.0413  0.0097  0.0275  104 ILE A N   
669  C CA  . ILE A 90  ? 0.3446 0.1314 0.1450 0.0241  -0.0087 0.0328  104 ILE A CA  
670  C C   . ILE A 90  ? 0.3472 0.1452 0.1501 0.0322  -0.0100 0.0185  104 ILE A C   
671  O O   . ILE A 90  ? 0.3547 0.1548 0.1681 0.0245  -0.0208 0.0173  104 ILE A O   
672  C CB  . ILE A 90  ? 0.3173 0.1183 0.1631 0.0236  -0.0103 0.0121  104 ILE A CB  
673  C CG1 . ILE A 90  ? 0.3456 0.1304 0.1534 0.0323  -0.0087 0.0080  104 ILE A CG1 
674  C CG2 . ILE A 90  ? 0.3151 0.1338 0.1918 0.0358  -0.0185 0.0059  104 ILE A CG2 
675  C CD1 . ILE A 90  ? 0.3551 0.1517 0.1557 0.0156  0.0090  0.0231  104 ILE A CD1 
676  N N   . ASN A 91  ? 0.3249 0.1370 0.1401 0.0303  -0.0048 0.0279  105 ASN A N   
677  C CA  . ASN A 91  ? 0.3147 0.1514 0.1126 0.0482  -0.0033 0.0249  105 ASN A CA  
678  C C   . ASN A 91  ? 0.3028 0.1429 0.1140 0.0296  0.0038  0.0203  105 ASN A C   
679  O O   . ASN A 91  ? 0.3040 0.1359 0.1440 0.0351  0.0215  0.0166  105 ASN A O   
680  C CB  . ASN A 91  ? 0.3303 0.2075 0.1339 0.0443  0.0020  0.0721  105 ASN A CB  
681  C CG  . ASN A 91  ? 0.3802 0.2702 0.2023 0.0332  -0.0197 0.1073  105 ASN A CG  
682  O OD1 . ASN A 91  ? 0.3881 0.2941 0.2082 0.0294  0.0047  0.0938  105 ASN A OD1 
683  N ND2 . ASN A 91  ? 0.3959 0.3041 0.2322 0.0360  -0.0852 0.1249  105 ASN A ND2 
684  N N   . THR A 92  ? 0.2826 0.1313 0.1197 0.0408  0.0292  0.0226  106 THR A N   
685  C CA  . THR A 92  ? 0.2623 0.1301 0.0931 0.0313  0.0055  0.0148  106 THR A CA  
686  C C   . THR A 92  ? 0.2510 0.1251 0.0916 0.0238  0.0291  0.0136  106 THR A C   
687  O O   . THR A 92  ? 0.2575 0.1272 0.1227 0.0278  0.0307  0.0138  106 THR A O   
688  C CB  . THR A 92  ? 0.2493 0.1402 0.1118 0.0365  -0.0028 0.0022  106 THR A CB  
689  O OG1 . THR A 92  ? 0.2478 0.1593 0.1158 0.0067  0.0060  0.0237  106 THR A OG1 
690  C CG2 . THR A 92  ? 0.2531 0.1340 0.1395 0.0337  -0.0014 -0.0124 106 THR A CG2 
691  N N   . GLN A 93  ? 0.2440 0.1249 0.1187 0.0233  -0.0063 0.0192  107 GLN A N   
692  C CA  . GLN A 93  ? 0.2569 0.1377 0.1036 0.0221  -0.0251 0.0030  107 GLN A CA  
693  C C   . GLN A 93  ? 0.2275 0.1360 0.0949 0.0125  -0.0134 0.0060  107 GLN A C   
694  O O   . GLN A 93  ? 0.2293 0.1388 0.1087 0.0368  0.0172  0.0005  107 GLN A O   
695  C CB  . GLN A 93  ? 0.2787 0.1763 0.1425 0.0238  -0.0398 0.0125  107 GLN A CB  
696  C CG  . GLN A 93  ? 0.3134 0.2029 0.1839 0.0295  -0.0596 0.0047  107 GLN A CG  
697  C CD  . GLN A 93  ? 0.3467 0.2167 0.2247 0.0331  -0.0246 -0.0195 107 GLN A CD  
698  O OE1 . GLN A 93  ? 0.3784 0.2499 0.2578 0.0422  0.0292  -0.0198 107 GLN A OE1 
699  N NE2 . GLN A 93  ? 0.3404 0.2177 0.2160 0.0296  -0.0277 -0.0142 107 GLN A NE2 
700  N N   . TRP A 94  ? 0.2230 0.1315 0.0943 0.0102  0.0156  0.0199  108 TRP A N   
701  C CA  . TRP A 94  ? 0.2188 0.1150 0.0989 0.0083  0.0032  0.0218  108 TRP A CA  
702  C C   . TRP A 94  ? 0.2173 0.1157 0.0960 0.0093  0.0044  0.0027  108 TRP A C   
703  O O   . TRP A 94  ? 0.2235 0.1197 0.0971 0.0119  0.0180  0.0006  108 TRP A O   
704  C CB  . TRP A 94  ? 0.2228 0.1245 0.1145 0.0036  0.0111  -0.0053 108 TRP A CB  
705  C CG  . TRP A 94  ? 0.2240 0.1183 0.1081 -0.0034 0.0116  0.0079  108 TRP A CG  
706  C CD1 . TRP A 94  ? 0.2415 0.1284 0.1075 -0.0011 0.0181  0.0194  108 TRP A CD1 
707  C CD2 . TRP A 94  ? 0.2382 0.1262 0.1121 -0.0019 -0.0015 0.0121  108 TRP A CD2 
708  N NE1 . TRP A 94  ? 0.2373 0.1278 0.1216 0.0215  0.0190  0.0187  108 TRP A NE1 
709  C CE2 . TRP A 94  ? 0.2401 0.1192 0.1277 0.0154  0.0077  0.0041  108 TRP A CE2 
710  C CE3 . TRP A 94  ? 0.2360 0.1240 0.1202 0.0070  0.0014  0.0043  108 TRP A CE3 
711  C CZ2 . TRP A 94  ? 0.2487 0.1229 0.1444 0.0002  -0.0017 -0.0043 108 TRP A CZ2 
712  C CZ3 . TRP A 94  ? 0.2329 0.1218 0.1346 -0.0066 -0.0058 -0.0056 108 TRP A CZ3 
713  C CH2 . TRP A 94  ? 0.2315 0.1252 0.1435 -0.0112 -0.0015 -0.0036 108 TRP A CH2 
714  N N   . LEU A 95  ? 0.1945 0.1220 0.0937 0.0190  0.0067  0.0229  109 LEU A N   
715  C CA  . LEU A 95  ? 0.1939 0.1243 0.0859 0.0012  0.0163  0.0186  109 LEU A CA  
716  C C   . LEU A 95  ? 0.2146 0.1304 0.1049 0.0072  0.0114  -0.0014 109 LEU A C   
717  O O   . LEU A 95  ? 0.2223 0.1438 0.1564 0.0133  -0.0202 -0.0366 109 LEU A O   
718  C CB  . LEU A 95  ? 0.1988 0.1292 0.1004 0.0047  0.0192  0.0082  109 LEU A CB  
719  C CG  . LEU A 95  ? 0.1994 0.1454 0.1243 -0.0152 0.0037  0.0069  109 LEU A CG  
720  C CD1 . LEU A 95  ? 0.1952 0.1599 0.1486 -0.0240 0.0082  0.0229  109 LEU A CD1 
721  C CD2 . LEU A 95  ? 0.2190 0.1433 0.1621 -0.0066 -0.0173 -0.0032 109 LEU A CD2 
722  N N   . LEU A 96  ? 0.2119 0.1235 0.1050 0.0180  0.0077  -0.0052 110 LEU A N   
723  C CA  . LEU A 96  ? 0.2184 0.1180 0.1042 0.0105  0.0088  0.0191  110 LEU A CA  
724  C C   . LEU A 96  ? 0.2208 0.1189 0.0923 0.0045  0.0009  -0.0074 110 LEU A C   
725  O O   . LEU A 96  ? 0.2339 0.1204 0.1056 0.0090  -0.0029 -0.0141 110 LEU A O   
726  C CB  . LEU A 96  ? 0.2267 0.1289 0.1253 0.0019  0.0140  0.0108  110 LEU A CB  
727  C CG  . LEU A 96  ? 0.2445 0.1501 0.1432 -0.0017 0.0180  -0.0075 110 LEU A CG  
728  C CD1 . LEU A 96  ? 0.2477 0.1517 0.1269 -0.0102 0.0036  -0.0128 110 LEU A CD1 
729  C CD2 . LEU A 96  ? 0.2769 0.1602 0.1692 -0.0240 0.0276  0.0092  110 LEU A CD2 
730  N N   . THR A 97  ? 0.2057 0.1244 0.1009 0.0237  0.0109  0.0071  111 THR A N   
731  C CA  . THR A 97  ? 0.2056 0.1300 0.0951 0.0187  0.0031  0.0287  111 THR A CA  
732  C C   . THR A 97  ? 0.2064 0.1319 0.1216 0.0044  -0.0248 0.0249  111 THR A C   
733  O O   . THR A 97  ? 0.2292 0.1228 0.1504 0.0007  -0.0269 0.0262  111 THR A O   
734  C CB  . THR A 97  ? 0.2267 0.1542 0.0921 0.0298  -0.0013 0.0342  111 THR A CB  
735  O OG1 . THR A 97  ? 0.2315 0.1713 0.1359 0.0086  -0.0014 0.0258  111 THR A OG1 
736  C CG2 . THR A 97  ? 0.2446 0.1759 0.1211 0.0405  0.0231  0.0288  111 THR A CG2 
737  N N   . SER A 98  ? 0.2208 0.1426 0.1169 0.0253  -0.0211 0.0350  112 SER A N   
738  C CA  . SER A 98  ? 0.2505 0.1552 0.1036 0.0186  -0.0047 0.0324  112 SER A CA  
739  C C   . SER A 98  ? 0.2717 0.1438 0.1174 0.0069  -0.0333 0.0021  112 SER A C   
740  O O   . SER A 98  ? 0.2856 0.1542 0.1734 0.0122  -0.0365 0.0410  112 SER A O   
741  C CB  . SER A 98  ? 0.2471 0.1759 0.1445 0.0356  0.0128  0.0173  112 SER A CB  
742  O OG  . SER A 98  ? 0.2393 0.2033 0.1591 0.0302  0.0172  0.0062  112 SER A OG  
743  N N   . GLY A 99  ? 0.2884 0.1533 0.1222 0.0008  -0.0398 0.0225  113 GLY A N   
744  C CA  . GLY A 99  ? 0.3047 0.1484 0.1337 0.0319  -0.0101 0.0378  113 GLY A CA  
745  C C   . GLY A 99  ? 0.3091 0.1610 0.1892 0.0306  0.0023  0.0394  113 GLY A C   
746  O O   . GLY A 99  ? 0.3234 0.1840 0.2530 0.0526  0.0242  0.0534  113 GLY A O   
747  N N   . THR A 100 ? 0.3039 0.1540 0.1796 0.0229  -0.0122 0.0500  114 THR A N   
748  C CA  . THR A 100 ? 0.2993 0.1641 0.1552 0.0266  -0.0118 0.0414  114 THR A CA  
749  C C   . THR A 100 ? 0.2977 0.1632 0.1731 0.0117  -0.0170 0.0306  114 THR A C   
750  O O   . THR A 100 ? 0.3021 0.1725 0.1635 0.0035  -0.0233 0.0342  114 THR A O   
751  C CB  . THR A 100 ? 0.2948 0.1806 0.1678 0.0214  -0.0204 0.0490  114 THR A CB  
752  O OG1 . THR A 100 ? 0.3037 0.1848 0.1522 0.0205  -0.0131 0.0298  114 THR A OG1 
753  C CG2 . THR A 100 ? 0.2899 0.1918 0.1690 0.0273  -0.0141 0.0619  114 THR A CG2 
754  N N   . THR A 101 ? 0.3192 0.1680 0.2044 0.0229  -0.0428 0.0558  115 THR A N   
755  C CA  . THR A 101 ? 0.3421 0.1731 0.1881 0.0401  -0.0565 0.0647  115 THR A CA  
756  C C   . THR A 101 ? 0.3343 0.1688 0.1642 0.0348  -0.0325 0.0433  115 THR A C   
757  O O   . THR A 101 ? 0.2985 0.1726 0.1505 0.0610  -0.0072 0.0399  115 THR A O   
758  C CB  . THR A 101 ? 0.3762 0.1958 0.2254 0.0480  -0.0597 0.0531  115 THR A CB  
759  O OG1 . THR A 101 ? 0.3778 0.2065 0.2171 0.0601  -0.0314 0.0586  115 THR A OG1 
760  C CG2 . THR A 101 ? 0.3859 0.1998 0.2691 0.0563  -0.0710 0.0747  115 THR A CG2 
761  N N   . GLU A 102 ? 0.3411 0.1801 0.1727 0.0152  0.0042  0.0341  116 GLU A N   
762  C CA  . GLU A 102 ? 0.3534 0.1883 0.1977 0.0159  0.0142  0.0459  116 GLU A CA  
763  C C   . GLU A 102 ? 0.3554 0.1777 0.1766 0.0331  -0.0073 0.0477  116 GLU A C   
764  O O   . GLU A 102 ? 0.3774 0.1768 0.1990 0.0306  -0.0184 0.0499  116 GLU A O   
765  C CB  . GLU A 102 ? 0.3651 0.2286 0.2486 -0.0119 0.0091  0.0399  116 GLU A CB  
766  C CG  . GLU A 102 ? 0.4213 0.2767 0.3437 -0.0180 0.0268  0.0266  116 GLU A CG  
767  C CD  . GLU A 102 ? 0.4708 0.3295 0.4185 -0.0160 0.0177  0.0127  116 GLU A CD  
768  O OE1 . GLU A 102 ? 0.4893 0.3425 0.4701 -0.0171 0.0364  0.0003  116 GLU A OE1 
769  O OE2 . GLU A 102 ? 0.4908 0.3567 0.4523 -0.0082 0.0021  0.0302  116 GLU A OE2 
770  N N   . ALA A 103 ? 0.3559 0.1672 0.1863 0.0399  0.0123  0.0480  117 ALA A N   
771  C CA  . ALA A 103 ? 0.3682 0.1662 0.1995 0.0549  0.0175  0.0524  117 ALA A CA  
772  C C   . ALA A 103 ? 0.3639 0.1707 0.1829 0.0736  0.0100  0.0502  117 ALA A C   
773  O O   . ALA A 103 ? 0.4041 0.1749 0.1932 0.0854  -0.0175 0.0126  117 ALA A O   
774  C CB  . ALA A 103 ? 0.3758 0.1722 0.2070 0.0765  -0.0070 0.0451  117 ALA A CB  
775  N N   . ASN A 104 ? 0.3341 0.1727 0.1874 0.0952  0.0226  0.0651  118 ASN A N   
776  C CA  . ASN A 104 ? 0.3405 0.1750 0.1990 0.0898  0.0091  0.0684  118 ASN A CA  
777  C C   . ASN A 104 ? 0.3219 0.1531 0.1763 0.0598  -0.0090 0.0527  118 ASN A C   
778  O O   . ASN A 104 ? 0.3088 0.1518 0.1818 0.0516  -0.0099 0.0572  118 ASN A O   
779  C CB  . ASN A 104 ? 0.3487 0.2056 0.2227 0.0911  0.0343  0.0533  118 ASN A CB  
780  C CG  . ASN A 104 ? 0.3510 0.2358 0.2369 0.0985  0.0425  0.0414  118 ASN A CG  
781  O OD1 . ASN A 104 ? 0.3488 0.2450 0.2670 0.1141  0.0627  0.0335  118 ASN A OD1 
782  N ND2 . ASN A 104 ? 0.3539 0.2609 0.2375 0.0798  0.0358  0.0568  118 ASN A ND2 
783  N N   . ALA A 105 ? 0.3165 0.1600 0.1767 0.0527  -0.0282 0.0293  119 ALA A N   
784  C CA  . ALA A 105 ? 0.2963 0.1540 0.1629 0.0312  -0.0203 0.0121  119 ALA A CA  
785  C C   . ALA A 105 ? 0.3004 0.1367 0.1585 0.0024  -0.0335 0.0190  119 ALA A C   
786  O O   . ALA A 105 ? 0.2964 0.1344 0.1691 0.0323  -0.0285 0.0283  119 ALA A O   
787  C CB  . ALA A 105 ? 0.2820 0.1764 0.1804 0.0149  -0.0080 0.0311  119 ALA A CB  
788  N N   . TRP A 106 ? 0.3270 0.1384 0.1585 0.0034  -0.0317 0.0179  120 TRP A N   
789  C CA  . TRP A 106 ? 0.3525 0.1217 0.1581 0.0092  -0.0484 0.0230  120 TRP A CA  
790  C C   . TRP A 106 ? 0.3690 0.1324 0.1563 0.0185  -0.0542 0.0156  120 TRP A C   
791  O O   . TRP A 106 ? 0.3787 0.1370 0.1700 0.0256  -0.0912 0.0025  120 TRP A O   
792  C CB  . TRP A 106 ? 0.3771 0.1377 0.2000 0.0207  -0.0346 0.0054  120 TRP A CB  
793  C CG  . TRP A 106 ? 0.3971 0.1573 0.1970 0.0354  -0.0189 -0.0048 120 TRP A CG  
794  C CD1 . TRP A 106 ? 0.4083 0.1671 0.1876 0.0257  -0.0114 -0.0041 120 TRP A CD1 
795  C CD2 . TRP A 106 ? 0.4119 0.1738 0.1841 0.0330  -0.0225 0.0097  120 TRP A CD2 
796  N NE1 . TRP A 106 ? 0.4183 0.1896 0.1984 0.0415  -0.0040 0.0104  120 TRP A NE1 
797  C CE2 . TRP A 106 ? 0.4169 0.1776 0.1741 0.0441  -0.0054 0.0176  120 TRP A CE2 
798  C CE3 . TRP A 106 ? 0.4264 0.1838 0.1895 0.0362  -0.0117 0.0200  120 TRP A CE3 
799  C CZ2 . TRP A 106 ? 0.4198 0.1886 0.2119 0.0472  0.0128  0.0182  120 TRP A CZ2 
800  C CZ3 . TRP A 106 ? 0.4280 0.1884 0.2052 0.0518  -0.0073 0.0416  120 TRP A CZ3 
801  C CH2 . TRP A 106 ? 0.4244 0.1948 0.2277 0.0524  0.0129  0.0199  120 TRP A CH2 
802  N N   . LYS A 107 ? 0.3699 0.1254 0.1528 0.0278  -0.0281 0.0186  121 LYS A N   
803  C CA  . LYS A 107 ? 0.3438 0.1494 0.1681 0.0495  0.0157  0.0153  121 LYS A CA  
804  C C   . LYS A 107 ? 0.3092 0.1461 0.1571 0.0364  0.0093  0.0223  121 LYS A C   
805  O O   . LYS A 107 ? 0.2926 0.1734 0.1850 0.0216  0.0089  0.0221  121 LYS A O   
806  C CB  . LYS A 107 ? 0.3423 0.1560 0.2015 0.0913  0.0163  0.0266  121 LYS A CB  
807  C CG  . LYS A 107 ? 0.3366 0.1814 0.2307 0.1164  0.0282  0.0167  121 LYS A CG  
808  C CD  . LYS A 107 ? 0.3529 0.2112 0.2599 0.1157  0.0387  0.0343  121 LYS A CD  
809  C CE  . LYS A 107 ? 0.3647 0.2424 0.3232 0.1252  0.0408  0.0346  121 LYS A CE  
810  N NZ  . LYS A 107 ? 0.3906 0.2644 0.3745 0.1109  0.0438  0.0221  121 LYS A NZ  
811  N N   . SER A 108 ? 0.2960 0.1298 0.1228 0.0378  -0.0040 0.0073  122 SER A N   
812  C CA  . SER A 108 ? 0.2932 0.1223 0.1215 0.0150  -0.0056 0.0135  122 SER A CA  
813  C C   . SER A 108 ? 0.2582 0.1199 0.1054 0.0032  0.0082  0.0135  122 SER A C   
814  O O   . SER A 108 ? 0.2349 0.1397 0.1370 0.0043  -0.0170 0.0026  122 SER A O   
815  C CB  . SER A 108 ? 0.3256 0.1496 0.1496 -0.0019 0.0118  0.0049  122 SER A CB  
816  O OG  . SER A 108 ? 0.3442 0.1679 0.1737 -0.0177 0.0573  -0.0050 122 SER A OG  
817  N N   . THR A 109 ? 0.2701 0.1172 0.0940 0.0102  0.0003  0.0227  123 THR A N   
818  C CA  . THR A 109 ? 0.2708 0.1076 0.1074 0.0115  0.0174  0.0381  123 THR A CA  
819  C C   . THR A 109 ? 0.2650 0.1011 0.1022 0.0167  0.0117  0.0204  123 THR A C   
820  O O   . THR A 109 ? 0.2618 0.1170 0.1234 -0.0090 0.0039  0.0059  123 THR A O   
821  C CB  . THR A 109 ? 0.2778 0.1220 0.1180 0.0163  0.0173  0.0448  123 THR A CB  
822  O OG1 . THR A 109 ? 0.2682 0.1595 0.1427 0.0194  0.0028  0.0325  123 THR A OG1 
823  C CG2 . THR A 109 ? 0.2770 0.1082 0.1202 0.0150  0.0265  0.0408  123 THR A CG2 
824  N N   . LEU A 110 ? 0.2565 0.1029 0.0918 0.0223  0.0165  0.0212  124 LEU A N   
825  C CA  . LEU A 110 ? 0.2500 0.1142 0.1042 0.0122  0.0320  0.0247  124 LEU A CA  
826  C C   . LEU A 110 ? 0.2330 0.1174 0.0937 0.0311  0.0136  0.0134  124 LEU A C   
827  O O   . LEU A 110 ? 0.2220 0.1322 0.1016 0.0094  0.0137  -0.0164 124 LEU A O   
828  C CB  . LEU A 110 ? 0.2440 0.1359 0.1198 0.0309  0.0248  -0.0083 124 LEU A CB  
829  C CG  . LEU A 110 ? 0.2687 0.1385 0.1391 0.0446  0.0042  -0.0083 124 LEU A CG  
830  C CD1 . LEU A 110 ? 0.2604 0.1684 0.1707 0.0374  -0.0204 -0.0270 124 LEU A CD1 
831  C CD2 . LEU A 110 ? 0.2824 0.1455 0.1305 0.0573  0.0098  0.0017  124 LEU A CD2 
832  N N   . VAL A 111 ? 0.2540 0.1090 0.1074 0.0047  0.0254  0.0302  125 VAL A N   
833  C CA  . VAL A 111 ? 0.2698 0.1049 0.0941 0.0083  0.0094  0.0184  125 VAL A CA  
834  C C   . VAL A 111 ? 0.2364 0.1171 0.0957 0.0104  -0.0018 0.0068  125 VAL A C   
835  O O   . VAL A 111 ? 0.2280 0.1276 0.1042 0.0190  0.0069  0.0101  125 VAL A O   
836  C CB  . VAL A 111 ? 0.2864 0.1131 0.1004 -0.0040 0.0090  -0.0024 125 VAL A CB  
837  C CG1 . VAL A 111 ? 0.3026 0.1233 0.1107 -0.0047 0.0351  -0.0241 125 VAL A CG1 
838  C CG2 . VAL A 111 ? 0.2870 0.1342 0.1021 0.0056  -0.0031 0.0028  125 VAL A CG2 
839  N N   . GLY A 112 ? 0.2440 0.1222 0.1036 -0.0017 0.0018  0.0201  126 GLY A N   
840  C CA  . GLY A 112 ? 0.2775 0.1033 0.0872 -0.0024 0.0002  0.0217  126 GLY A CA  
841  C C   . GLY A 112 ? 0.2667 0.1191 0.0965 0.0069  0.0056  0.0101  126 GLY A C   
842  O O   . GLY A 112 ? 0.2525 0.1293 0.1047 0.0126  0.0186  0.0215  126 GLY A O   
843  N N   . HIS A 113 ? 0.2777 0.1195 0.1173 0.0278  0.0082  0.0109  127 HIS A N   
844  C CA  . HIS A 113 ? 0.2654 0.1396 0.1175 0.0175  0.0234  0.0081  127 HIS A CA  
845  C C   . HIS A 113 ? 0.2764 0.1302 0.1159 0.0003  0.0386  0.0268  127 HIS A C   
846  O O   . HIS A 113 ? 0.2751 0.1501 0.1849 -0.0007 0.0634  -0.0034 127 HIS A O   
847  C CB  . HIS A 113 ? 0.2703 0.1704 0.1029 0.0086  0.0080  -0.0011 127 HIS A CB  
848  C CG  . HIS A 113 ? 0.3224 0.2019 0.1295 -0.0314 0.0229  -0.0003 127 HIS A CG  
849  N ND1 . HIS A 113 ? 0.3697 0.2287 0.1585 -0.0516 0.0371  -0.0161 127 HIS A ND1 
850  C CD2 . HIS A 113 ? 0.3346 0.2178 0.1416 -0.0434 0.0320  -0.0346 127 HIS A CD2 
851  C CE1 . HIS A 113 ? 0.3624 0.2365 0.1732 -0.0581 0.0420  -0.0358 127 HIS A CE1 
852  N NE2 . HIS A 113 ? 0.3535 0.2392 0.1837 -0.0460 0.0514  -0.0445 127 HIS A NE2 
853  N N   . ASP A 114 ? 0.2669 0.1204 0.1088 0.0030  0.0341  0.0081  128 ASP A N   
854  C CA  . ASP A 114 ? 0.2589 0.1165 0.1329 -0.0101 0.0131  0.0190  128 ASP A CA  
855  C C   . ASP A 114 ? 0.2763 0.1218 0.1330 -0.0066 0.0125  0.0162  128 ASP A C   
856  O O   . ASP A 114 ? 0.2979 0.1394 0.1475 0.0158  0.0089  0.0371  128 ASP A O   
857  C CB  . ASP A 114 ? 0.2598 0.1303 0.1206 -0.0005 0.0085  0.0031  128 ASP A CB  
858  C CG  . ASP A 114 ? 0.2604 0.1580 0.1177 -0.0037 0.0136  -0.0095 128 ASP A CG  
859  O OD1 . ASP A 114 ? 0.2851 0.1862 0.1413 0.0303  0.0235  0.0056  128 ASP A OD1 
860  O OD2 . ASP A 114 ? 0.2560 0.1482 0.1251 -0.0123 0.0159  -0.0013 128 ASP A OD2 
861  N N   A THR A 115 ? 0.2970 0.1168 0.1366 0.0044  0.0149  0.0141  129 THR A N   
862  N N   B THR A 115 ? 0.2916 0.1236 0.1401 -0.0028 -0.0013 0.0077  129 THR A N   
863  C CA  A THR A 115 ? 0.3270 0.1285 0.1374 0.0180  0.0142  0.0456  129 THR A CA  
864  C CA  B THR A 115 ? 0.3022 0.1313 0.1493 0.0026  -0.0078 0.0092  129 THR A CA  
865  C C   A THR A 115 ? 0.3333 0.1261 0.1467 0.0006  0.0400  0.0256  129 THR A C   
866  C C   B THR A 115 ? 0.3103 0.1231 0.1512 0.0076  0.0112  0.0106  129 THR A C   
867  O O   A THR A 115 ? 0.3514 0.1264 0.1366 -0.0222 0.0512  0.0170  129 THR A O   
868  O O   B THR A 115 ? 0.3124 0.1241 0.1522 0.0005  0.0150  0.0080  129 THR A O   
869  C CB  A THR A 115 ? 0.3589 0.1544 0.1611 0.0385  0.0229  0.0633  129 THR A CB  
870  C CB  B THR A 115 ? 0.3133 0.1502 0.1705 0.0002  -0.0204 0.0017  129 THR A CB  
871  O OG1 A THR A 115 ? 0.3857 0.1655 0.1935 0.0389  -0.0011 0.0293  129 THR A OG1 
872  O OG1 B THR A 115 ? 0.3112 0.1590 0.1703 -0.0052 -0.0338 -0.0121 129 THR A OG1 
873  C CG2 A THR A 115 ? 0.3675 0.1736 0.1794 0.0495  0.0415  0.0541  129 THR A CG2 
874  C CG2 B THR A 115 ? 0.3217 0.1587 0.1970 0.0014  -0.0208 -0.0016 129 THR A CG2 
875  N N   . PHE A 116 ? 0.3235 0.1104 0.1424 0.0227  0.0176  0.0145  130 PHE A N   
876  C CA  . PHE A 116 ? 0.3556 0.1184 0.1551 0.0220  0.0158  0.0227  130 PHE A CA  
877  C C   . PHE A 116 ? 0.3823 0.1359 0.1680 0.0080  0.0161  0.0182  130 PHE A C   
878  O O   . PHE A 116 ? 0.3782 0.1331 0.1924 0.0329  0.0140  0.0103  130 PHE A O   
879  C CB  . PHE A 116 ? 0.3514 0.1239 0.1554 0.0193  0.0272  0.0154  130 PHE A CB  
880  C CG  . PHE A 116 ? 0.3315 0.1255 0.1384 0.0234  0.0195  0.0164  130 PHE A CG  
881  C CD1 . PHE A 116 ? 0.3367 0.1099 0.1384 0.0116  0.0424  0.0003  130 PHE A CD1 
882  C CD2 . PHE A 116 ? 0.3329 0.1379 0.1073 0.0307  0.0269  0.0062  130 PHE A CD2 
883  C CE1 . PHE A 116 ? 0.3389 0.1212 0.1102 0.0078  0.0338  -0.0119 130 PHE A CE1 
884  C CE2 . PHE A 116 ? 0.3433 0.1370 0.1190 0.0229  0.0495  0.0135  130 PHE A CE2 
885  C CZ  . PHE A 116 ? 0.3446 0.1250 0.1060 0.0134  0.0430  -0.0151 130 PHE A CZ  
886  N N   . THR A 117 ? 0.3998 0.1434 0.1621 0.0053  0.0362  0.0317  131 THR A N   
887  C CA  . THR A 117 ? 0.4122 0.1740 0.1588 0.0156  0.0302  0.0172  131 THR A CA  
888  C C   . THR A 117 ? 0.4153 0.1664 0.1891 0.0000  0.0224  0.0167  131 THR A C   
889  O O   . THR A 117 ? 0.3880 0.1443 0.1485 -0.0125 0.0356  0.0103  131 THR A O   
890  C CB  . THR A 117 ? 0.4355 0.2236 0.1789 0.0251  0.0209  -0.0151 131 THR A CB  
891  O OG1 . THR A 117 ? 0.4562 0.2689 0.2341 0.0348  0.0437  -0.0454 131 THR A OG1 
892  C CG2 . THR A 117 ? 0.4413 0.2219 0.1457 0.0176  0.0004  -0.0046 131 THR A CG2 
893  N N   . LYS A 118 ? 0.4389 0.1698 0.2092 -0.0192 0.0021  0.0097  132 LYS A N   
894  C CA  . LYS A 118 ? 0.4434 0.1796 0.2096 -0.0431 0.0268  0.0092  132 LYS A CA  
895  C C   . LYS A 118 ? 0.4559 0.2167 0.2098 -0.0804 0.0166  0.0178  132 LYS A C   
896  O O   . LYS A 118 ? 0.4826 0.2262 0.2203 -0.1020 -0.0093 0.0422  132 LYS A O   
897  C CB  . LYS A 118 ? 0.4321 0.1854 0.2264 -0.0208 0.0446  0.0047  132 LYS A CB  
898  C CG  . LYS A 118 ? 0.4196 0.1988 0.2604 -0.0126 0.0472  0.0014  132 LYS A CG  
899  C CD  . LYS A 118 ? 0.4195 0.2225 0.2925 0.0053  0.0715  -0.0215 132 LYS A CD  
900  C CE  . LYS A 118 ? 0.4277 0.2362 0.3301 0.0055  0.0784  -0.0357 132 LYS A CE  
901  N NZ  . LYS A 118 ? 0.4392 0.2368 0.3640 0.0140  0.0782  -0.0313 132 LYS A NZ  
902  N N   . VAL A 119 ? 0.4448 0.2395 0.2234 -0.0924 0.0487  0.0324  133 VAL A N   
903  C CA  . VAL A 119 ? 0.4173 0.2460 0.2234 -0.0844 0.0373  0.0357  133 VAL A CA  
904  C C   . VAL A 119 ? 0.4110 0.2367 0.2355 -0.1054 0.0005  0.0331  133 VAL A C   
905  O O   . VAL A 119 ? 0.4206 0.2450 0.3102 -0.1147 -0.0129 0.0205  133 VAL A O   
906  C CB  . VAL A 119 ? 0.4014 0.2537 0.2414 -0.0591 0.0633  0.0468  133 VAL A CB  
907  C CG1 . VAL A 119 ? 0.3572 0.2607 0.2567 -0.0541 0.0756  0.0551  133 VAL A CG1 
908  C CG2 . VAL A 119 ? 0.4361 0.2757 0.2837 -0.0434 0.0741  0.0326  133 VAL A CG2 
909  N N   . LYS A 120 ? 0.4086 0.2360 0.1794 -0.1130 0.0131  0.0322  134 LYS A N   
910  C CA  . LYS A 120 ? 0.4281 0.2493 0.1908 -0.0925 0.0362  0.0344  134 LYS A CA  
911  C C   . LYS A 120 ? 0.4710 0.2674 0.2310 -0.1160 0.0811  0.0151  134 LYS A C   
912  O O   . LYS A 120 ? 0.4770 0.2987 0.2293 -0.1102 0.0839  0.0257  134 LYS A O   
913  C CB  . LYS A 120 ? 0.4229 0.2564 0.2350 -0.0890 0.0384  0.0490  134 LYS A CB  
914  C CG  . LYS A 120 ? 0.4371 0.2800 0.2975 -0.0756 0.0291  0.0487  134 LYS A CG  
915  C CD  . LYS A 120 ? 0.4608 0.3116 0.3483 -0.0686 0.0149  0.0426  134 LYS A CD  
916  C CE  . LYS A 120 ? 0.4890 0.3452 0.3995 -0.0560 -0.0016 0.0241  134 LYS A CE  
917  N NZ  . LYS A 120 ? 0.5054 0.3639 0.4416 -0.0508 -0.0174 0.0176  134 LYS A NZ  
918  N N   . PRO A 121 ? 0.5077 0.2744 0.2474 -0.1280 0.1279  0.0060  135 PRO A N   
919  C CA  . PRO A 121 ? 0.5353 0.2874 0.2622 -0.1244 0.1134  -0.0056 135 PRO A CA  
920  C C   . PRO A 121 ? 0.5717 0.3020 0.2976 -0.1129 0.1397  0.0070  135 PRO A C   
921  O O   . PRO A 121 ? 0.5612 0.2988 0.3035 -0.1020 0.1755  0.0015  135 PRO A O   
922  C CB  . PRO A 121 ? 0.5266 0.2852 0.2539 -0.1337 0.1031  -0.0106 135 PRO A CB  
923  C CG  . PRO A 121 ? 0.5336 0.2764 0.2428 -0.1402 0.0907  -0.0214 135 PRO A CG  
924  C CD  . PRO A 121 ? 0.5204 0.2735 0.2428 -0.1327 0.1104  -0.0093 135 PRO A CD  
925  O OXT . PRO A 121 ? 0.6040 0.3213 0.3286 -0.1094 0.1271  0.0261  135 PRO A OXT 
926  N N   . GLY B 2   ? 0.2908 0.2712 0.3646 0.0027  0.0765  -0.0244 16  GLY B N   
927  C CA  . GLY B 2   ? 0.2947 0.2533 0.2945 0.0008  0.0633  -0.0261 16  GLY B CA  
928  C C   . GLY B 2   ? 0.2659 0.2309 0.2310 -0.0154 0.0577  -0.0237 16  GLY B C   
929  O O   . GLY B 2   ? 0.2942 0.2347 0.2412 -0.0215 0.0551  -0.0103 16  GLY B O   
930  N N   . ILE B 3   ? 0.2584 0.2183 0.2022 -0.0021 0.0243  -0.0079 17  ILE B N   
931  C CA  . ILE B 3   ? 0.2605 0.1962 0.1388 0.0100  0.0111  -0.0094 17  ILE B CA  
932  C C   . ILE B 3   ? 0.2654 0.1873 0.1504 -0.0032 0.0175  -0.0076 17  ILE B C   
933  O O   . ILE B 3   ? 0.2584 0.1836 0.1687 0.0107  0.0390  -0.0040 17  ILE B O   
934  C CB  . ILE B 3   ? 0.2635 0.1924 0.1615 0.0092  -0.0057 0.0045  17  ILE B CB  
935  C CG1 . ILE B 3   ? 0.3065 0.2079 0.1767 0.0187  -0.0579 0.0026  17  ILE B CG1 
936  C CG2 . ILE B 3   ? 0.2400 0.1818 0.1514 -0.0017 0.0213  -0.0161 17  ILE B CG2 
937  C CD1 . ILE B 3   ? 0.3391 0.2165 0.1727 0.0170  -0.0845 0.0029  17  ILE B CD1 
938  N N   . THR B 4   ? 0.2670 0.1904 0.1200 0.0045  0.0112  -0.0142 18  THR B N   
939  C CA  . THR B 4   ? 0.2792 0.2006 0.1032 0.0071  0.0273  -0.0091 18  THR B CA  
940  C C   . THR B 4   ? 0.2634 0.2120 0.1285 0.0067  0.0167  0.0067  18  THR B C   
941  O O   . THR B 4   ? 0.2408 0.2268 0.1580 -0.0067 0.0385  0.0116  18  THR B O   
942  C CB  . THR B 4   ? 0.2991 0.1920 0.1293 0.0058  0.0173  -0.0293 18  THR B CB  
943  O OG1 . THR B 4   ? 0.2934 0.1865 0.1394 -0.0097 0.0503  -0.0139 18  THR B OG1 
944  C CG2 . THR B 4   ? 0.3116 0.2057 0.1528 0.0219  0.0160  -0.0261 18  THR B CG2 
945  N N   . GLY B 5   ? 0.2718 0.2067 0.1007 0.0230  0.0120  0.0088  19  GLY B N   
946  C CA  . GLY B 5   ? 0.2531 0.2108 0.1264 0.0244  0.0180  0.0279  19  GLY B CA  
947  C C   . GLY B 5   ? 0.2618 0.2024 0.1058 0.0070  0.0257  0.0022  19  GLY B C   
948  O O   . GLY B 5   ? 0.2602 0.2135 0.1299 -0.0192 0.0191  -0.0014 19  GLY B O   
949  N N   . THR B 6   ? 0.2860 0.2036 0.1016 0.0073  0.0247  0.0142  20  THR B N   
950  C CA  . THR B 6   ? 0.3058 0.2078 0.0964 0.0122  0.0100  0.0049  20  THR B CA  
951  C C   . THR B 6   ? 0.3090 0.2098 0.1007 -0.0289 0.0298  0.0278  20  THR B C   
952  O O   . THR B 6   ? 0.3309 0.2323 0.1307 -0.0279 0.0495  0.0176  20  THR B O   
953  C CB  . THR B 6   ? 0.3469 0.2167 0.1283 0.0398  -0.0106 -0.0136 20  THR B CB  
954  O OG1 . THR B 6   ? 0.3817 0.2223 0.1553 0.0566  -0.0228 -0.0286 20  THR B OG1 
955  C CG2 . THR B 6   ? 0.3412 0.2201 0.1438 0.0472  -0.0219 -0.0211 20  THR B CG2 
956  N N   . TRP B 7   ? 0.2975 0.2009 0.0874 -0.0168 0.0101  0.0231  21  TRP B N   
957  C CA  . TRP B 7   ? 0.2880 0.1772 0.1288 -0.0105 0.0066  0.0033  21  TRP B CA  
958  C C   . TRP B 7   ? 0.3054 0.1635 0.1232 -0.0010 -0.0073 0.0022  21  TRP B C   
959  O O   . TRP B 7   ? 0.2998 0.1679 0.1288 0.0015  -0.0051 0.0089  21  TRP B O   
960  C CB  . TRP B 7   ? 0.2637 0.1710 0.1352 0.0066  -0.0182 -0.0197 21  TRP B CB  
961  C CG  . TRP B 7   ? 0.2574 0.1651 0.1161 0.0017  -0.0070 -0.0190 21  TRP B CG  
962  C CD1 . TRP B 7   ? 0.2579 0.1661 0.1092 0.0050  -0.0125 0.0007  21  TRP B CD1 
963  C CD2 . TRP B 7   ? 0.2486 0.1744 0.1333 -0.0021 -0.0035 -0.0273 21  TRP B CD2 
964  N NE1 . TRP B 7   ? 0.2608 0.1622 0.1448 0.0003  0.0342  -0.0041 21  TRP B NE1 
965  C CE2 . TRP B 7   ? 0.2529 0.1747 0.1367 -0.0164 0.0135  -0.0210 21  TRP B CE2 
966  C CE3 . TRP B 7   ? 0.2481 0.1811 0.1489 -0.0225 0.0220  -0.0162 21  TRP B CE3 
967  C CZ2 . TRP B 7   ? 0.2582 0.1734 0.1489 0.0067  0.0146  -0.0124 21  TRP B CZ2 
968  C CZ3 . TRP B 7   ? 0.2533 0.1797 0.1552 -0.0232 0.0244  -0.0068 21  TRP B CZ3 
969  C CH2 . TRP B 7   ? 0.2552 0.1803 0.1597 -0.0004 0.0245  -0.0272 21  TRP B CH2 
970  N N   . TYR B 8   ? 0.3344 0.1555 0.1185 0.0100  -0.0027 0.0019  22  TYR B N   
971  C CA  . TYR B 8   ? 0.3461 0.1642 0.1364 0.0175  -0.0148 0.0252  22  TYR B CA  
972  C C   . TYR B 8   ? 0.3310 0.1826 0.1494 0.0310  -0.0114 0.0354  22  TYR B C   
973  O O   . TYR B 8   ? 0.3102 0.1921 0.1576 0.0380  -0.0028 0.0239  22  TYR B O   
974  C CB  . TYR B 8   ? 0.3946 0.1892 0.1578 -0.0019 -0.0345 0.0409  22  TYR B CB  
975  C CG  . TYR B 8   ? 0.3996 0.1915 0.1649 -0.0231 -0.0598 0.0367  22  TYR B CG  
976  C CD1 . TYR B 8   ? 0.4361 0.2233 0.1983 -0.0090 -0.0626 0.0241  22  TYR B CD1 
977  C CD2 . TYR B 8   ? 0.4145 0.2006 0.1726 -0.0426 -0.0776 0.0296  22  TYR B CD2 
978  C CE1 . TYR B 8   ? 0.4321 0.2361 0.1669 -0.0149 -0.0891 0.0368  22  TYR B CE1 
979  C CE2 . TYR B 8   ? 0.4220 0.2165 0.1937 -0.0479 -0.0794 0.0397  22  TYR B CE2 
980  C CZ  . TYR B 8   ? 0.4478 0.2365 0.1820 -0.0366 -0.0971 0.0593  22  TYR B CZ  
981  O OH  . TYR B 8   ? 0.4710 0.2612 0.2017 -0.0446 -0.1237 0.0610  22  TYR B OH  
982  N N   . ASN B 9   ? 0.3413 0.1930 0.1614 0.0266  -0.0297 0.0309  23  ASN B N   
983  C CA  . ASN B 9   ? 0.3622 0.2134 0.1642 0.0130  -0.0237 0.0254  23  ASN B CA  
984  C C   . ASN B 9   ? 0.3925 0.2163 0.1838 0.0091  -0.0318 0.0282  23  ASN B C   
985  O O   . ASN B 9   ? 0.4179 0.2231 0.2021 0.0072  -0.0651 0.0324  23  ASN B O   
986  C CB  . ASN B 9   ? 0.3517 0.2402 0.1767 -0.0041 -0.0358 -0.0060 23  ASN B CB  
987  C CG  . ASN B 9   ? 0.3588 0.2574 0.2092 -0.0083 -0.0569 -0.0221 23  ASN B CG  
988  O OD1 . ASN B 9   ? 0.3201 0.2334 0.2781 0.0270  -0.0443 -0.0139 23  ASN B OD1 
989  N ND2 . ASN B 9   ? 0.3870 0.2921 0.2074 -0.0163 -0.0748 -0.0372 23  ASN B ND2 
990  N N   . GLN B 10  ? 0.3929 0.2051 0.1943 0.0205  -0.0461 0.0151  24  GLN B N   
991  C CA  . GLN B 10  ? 0.4121 0.2214 0.2406 0.0160  -0.0334 0.0147  24  GLN B CA  
992  C C   . GLN B 10  ? 0.4347 0.2302 0.3212 0.0326  -0.0579 -0.0230 24  GLN B C   
993  O O   . GLN B 10  ? 0.4683 0.2242 0.3804 0.0458  -0.0548 -0.0204 24  GLN B O   
994  C CB  . GLN B 10  ? 0.4076 0.2234 0.2115 0.0011  -0.0253 0.0214  24  GLN B CB  
995  C CG  . GLN B 10  ? 0.3777 0.2242 0.2219 0.0093  -0.0155 0.0181  24  GLN B CG  
996  C CD  . GLN B 10  ? 0.3565 0.2345 0.2052 0.0295  0.0111  0.0233  24  GLN B CD  
997  O OE1 . GLN B 10  ? 0.3254 0.2109 0.1851 0.0557  0.0012  0.0172  24  GLN B OE1 
998  N NE2 . GLN B 10  ? 0.3620 0.2621 0.2326 0.0299  0.0207  0.0382  24  GLN B NE2 
999  N N   . LEU B 11  ? 0.4244 0.2629 0.3283 0.0386  -0.0846 -0.0532 25  LEU B N   
1000 C CA  . LEU B 11  ? 0.4355 0.2924 0.3498 0.0406  -0.0784 -0.0489 25  LEU B CA  
1001 C C   . LEU B 11  ? 0.4330 0.3037 0.3329 0.0439  -0.0649 -0.0240 25  LEU B C   
1002 O O   . LEU B 11  ? 0.4506 0.3312 0.3532 0.0495  -0.0636 -0.0134 25  LEU B O   
1003 C CB  . LEU B 11  ? 0.4520 0.3181 0.3857 0.0361  -0.0659 -0.0305 25  LEU B CB  
1004 C CG  . LEU B 11  ? 0.4785 0.3301 0.3975 0.0275  -0.0564 -0.0290 25  LEU B CG  
1005 C CD1 . LEU B 11  ? 0.4867 0.3298 0.3919 0.0247  -0.0273 -0.0215 25  LEU B CD1 
1006 C CD2 . LEU B 11  ? 0.4807 0.3322 0.3874 0.0327  -0.0585 -0.0276 25  LEU B CD2 
1007 N N   . GLY B 12  ? 0.4224 0.2788 0.2968 0.0219  -0.0483 -0.0299 26  GLY B N   
1008 C CA  . GLY B 12  ? 0.4195 0.2627 0.2491 0.0141  -0.0571 -0.0176 26  GLY B CA  
1009 C C   . GLY B 12  ? 0.3955 0.2417 0.2286 0.0173  -0.0622 -0.0162 26  GLY B C   
1010 O O   . GLY B 12  ? 0.4283 0.2411 0.2353 0.0109  -0.0608 0.0000  26  GLY B O   
1011 N N   . SER B 13  ? 0.3398 0.2335 0.1987 0.0218  -0.0397 -0.0305 27  SER B N   
1012 C CA  . SER B 13  ? 0.3225 0.2364 0.2151 0.0175  -0.0008 -0.0208 27  SER B CA  
1013 C C   . SER B 13  ? 0.2896 0.2206 0.2104 0.0210  0.0103  -0.0055 27  SER B C   
1014 O O   . SER B 13  ? 0.3046 0.2250 0.2649 0.0257  0.0115  -0.0116 27  SER B O   
1015 C CB  . SER B 13  ? 0.3481 0.2496 0.2055 0.0156  0.0343  -0.0091 27  SER B CB  
1016 O OG  . SER B 13  ? 0.3841 0.2791 0.2337 0.0196  0.0381  0.0118  27  SER B OG  
1017 N N   A THR B 14  ? 0.2959 0.1993 0.1576 0.0343  0.0207  -0.0114 28  THR B N   
1018 N N   B THR B 14  ? 0.2635 0.2249 0.1948 0.0215  0.0242  0.0071  28  THR B N   
1019 C CA  A THR B 14  ? 0.3143 0.1878 0.1632 0.0251  0.0115  -0.0110 28  THR B CA  
1020 C CA  B THR B 14  ? 0.2360 0.2305 0.1939 0.0140  0.0246  0.0186  28  THR B CA  
1021 C C   A THR B 14  ? 0.2836 0.1697 0.1628 0.0013  -0.0050 -0.0072 28  THR B C   
1022 C C   B THR B 14  ? 0.2045 0.2253 0.1630 0.0034  0.0123  0.0224  28  THR B C   
1023 O O   A THR B 14  ? 0.2714 0.1711 0.1770 0.0197  -0.0192 0.0001  28  THR B O   
1024 O O   B THR B 14  ? 0.1977 0.2338 0.1658 -0.0043 0.0060  0.0421  28  THR B O   
1025 C CB  A THR B 14  ? 0.3685 0.1943 0.1604 0.0342  -0.0045 -0.0132 28  THR B CB  
1026 C CB  B THR B 14  ? 0.2461 0.2402 0.2203 0.0145  0.0278  0.0258  28  THR B CB  
1027 O OG1 A THR B 14  ? 0.4114 0.1967 0.1818 0.0572  -0.0212 0.0020  28  THR B OG1 
1028 O OG1 B THR B 14  ? 0.2600 0.2433 0.2251 0.0130  0.0316  0.0368  28  THR B OG1 
1029 C CG2 A THR B 14  ? 0.3761 0.1954 0.1475 0.0205  -0.0092 -0.0075 28  THR B CG2 
1030 C CG2 B THR B 14  ? 0.2377 0.2435 0.2276 0.0029  0.0289  0.0284  28  THR B CG2 
1031 N N   A PHE B 15  ? 0.2562 0.1534 0.1610 -0.0118 -0.0129 0.0003  29  PHE B N   
1032 N N   B PHE B 15  ? 0.1801 0.2094 0.1220 0.0138  0.0047  0.0087  29  PHE B N   
1033 C CA  A PHE B 15  ? 0.2466 0.1796 0.1623 -0.0272 0.0004  -0.0114 29  PHE B CA  
1034 C CA  B PHE B 15  ? 0.1775 0.1997 0.0958 0.0164  0.0199  -0.0112 29  PHE B CA  
1035 C C   A PHE B 15  ? 0.2384 0.1875 0.1482 -0.0326 -0.0013 -0.0163 29  PHE B C   
1036 C C   B PHE B 15  ? 0.1885 0.1934 0.1084 0.0183  -0.0070 -0.0135 29  PHE B C   
1037 O O   A PHE B 15  ? 0.2413 0.2058 0.1838 -0.0419 0.0048  -0.0029 29  PHE B O   
1038 O O   B PHE B 15  ? 0.1834 0.1897 0.0889 0.0156  0.0136  -0.0233 29  PHE B O   
1039 C CB  A PHE B 15  ? 0.2574 0.1979 0.1554 -0.0332 -0.0037 -0.0082 29  PHE B CB  
1040 C CB  B PHE B 15  ? 0.1689 0.1926 0.0757 0.0123  0.0493  -0.0212 29  PHE B CB  
1041 C CG  A PHE B 15  ? 0.2550 0.2033 0.1322 -0.0375 0.0191  0.0076  29  PHE B CG  
1042 C CG  B PHE B 15  ? 0.1732 0.1900 0.0764 0.0103  0.0511  -0.0239 29  PHE B CG  
1043 C CD1 A PHE B 15  ? 0.2637 0.2054 0.1221 -0.0316 0.0121  0.0083  29  PHE B CD1 
1044 C CD1 B PHE B 15  ? 0.1746 0.2048 0.0831 0.0090  0.0418  -0.0412 29  PHE B CD1 
1045 C CD2 A PHE B 15  ? 0.2644 0.2112 0.1279 -0.0226 0.0350  0.0345  29  PHE B CD2 
1046 C CD2 B PHE B 15  ? 0.1762 0.2070 0.0816 -0.0027 0.0513  -0.0135 29  PHE B CD2 
1047 C CE1 A PHE B 15  ? 0.2661 0.2170 0.1255 -0.0219 0.0280  0.0065  29  PHE B CE1 
1048 C CE1 B PHE B 15  ? 0.1733 0.1972 0.1016 0.0150  0.0607  -0.0398 29  PHE B CE1 
1049 C CE2 A PHE B 15  ? 0.2680 0.2207 0.1282 -0.0025 0.0087  0.0224  29  PHE B CE2 
1050 C CE2 B PHE B 15  ? 0.1820 0.2079 0.0959 0.0015  0.0668  -0.0218 29  PHE B CE2 
1051 C CZ  A PHE B 15  ? 0.2676 0.2079 0.1044 -0.0047 0.0079  0.0182  29  PHE B CZ  
1052 C CZ  B PHE B 15  ? 0.1683 0.2037 0.1040 0.0140  0.0692  -0.0258 29  PHE B CZ  
1053 N N   A ILE B 16  ? 0.2496 0.1903 0.1416 -0.0046 0.0079  -0.0111 30  ILE B N   
1054 N N   B ILE B 16  ? 0.2054 0.1863 0.1497 0.0213  -0.0364 -0.0058 30  ILE B N   
1055 C CA  A ILE B 16  ? 0.2387 0.2007 0.1323 0.0054  -0.0051 -0.0060 30  ILE B CA  
1056 C CA  B ILE B 16  ? 0.2370 0.1937 0.1682 0.0229  -0.0346 -0.0044 30  ILE B CA  
1057 C C   A ILE B 16  ? 0.2345 0.1770 0.1344 0.0004  0.0098  -0.0003 30  ILE B C   
1058 C C   B ILE B 16  ? 0.2455 0.1793 0.1437 0.0115  -0.0335 0.0017  30  ILE B C   
1059 O O   A ILE B 16  ? 0.2237 0.1713 0.1791 -0.0006 0.0240  -0.0066 30  ILE B O   
1060 O O   B ILE B 16  ? 0.2487 0.1751 0.1518 0.0102  -0.0202 0.0009  30  ILE B O   
1061 C CB  A ILE B 16  ? 0.2410 0.2246 0.1458 0.0112  -0.0181 -0.0014 30  ILE B CB  
1062 C CB  B ILE B 16  ? 0.2505 0.2159 0.2110 0.0226  -0.0137 -0.0195 30  ILE B CB  
1063 C CG1 A ILE B 16  ? 0.2568 0.2333 0.1820 0.0119  -0.0479 0.0166  30  ILE B CG1 
1064 C CG1 B ILE B 16  ? 0.2742 0.2303 0.2496 0.0308  -0.0123 -0.0209 30  ILE B CG1 
1065 C CG2 A ILE B 16  ? 0.2152 0.2462 0.1309 0.0168  0.0352  -0.0183 30  ILE B CG2 
1066 C CG2 B ILE B 16  ? 0.2516 0.2237 0.2219 0.0170  -0.0021 -0.0259 30  ILE B CG2 
1067 C CD1 A ILE B 16  ? 0.2783 0.2498 0.2237 0.0071  -0.0408 0.0076  30  ILE B CD1 
1068 C CD1 B ILE B 16  ? 0.2860 0.2348 0.2615 0.0410  -0.0058 -0.0206 30  ILE B CD1 
1069 N N   . VAL B 17  ? 0.2420 0.1702 0.1366 0.0052  -0.0165 0.0067  31  VAL B N   
1070 C CA  . VAL B 17  ? 0.2299 0.1746 0.1554 0.0175  -0.0264 0.0164  31  VAL B CA  
1071 C C   . VAL B 17  ? 0.2375 0.1765 0.1430 0.0218  -0.0194 0.0135  31  VAL B C   
1072 O O   . VAL B 17  ? 0.2481 0.1969 0.1499 0.0105  -0.0047 0.0011  31  VAL B O   
1073 C CB  . VAL B 17  ? 0.2388 0.1906 0.1666 0.0004  -0.0091 0.0237  31  VAL B CB  
1074 C CG1 . VAL B 17  ? 0.2376 0.2017 0.1674 -0.0236 -0.0195 0.0216  31  VAL B CG1 
1075 C CG2 . VAL B 17  ? 0.2440 0.1851 0.1603 0.0181  0.0170  0.0322  31  VAL B CG2 
1076 N N   . THR B 18  ? 0.2596 0.1732 0.1677 0.0252  -0.0228 0.0009  32  THR B N   
1077 C CA  . THR B 18  ? 0.2814 0.1853 0.1561 0.0100  -0.0192 -0.0026 32  THR B CA  
1078 C C   . THR B 18  ? 0.2636 0.1709 0.1571 0.0109  0.0160  0.0034  32  THR B C   
1079 O O   . THR B 18  ? 0.2366 0.1722 0.1654 -0.0037 0.0135  0.0075  32  THR B O   
1080 C CB  . THR B 18  ? 0.3273 0.2101 0.1804 0.0144  -0.0315 -0.0046 32  THR B CB  
1081 O OG1 . THR B 18  ? 0.3618 0.2312 0.2017 -0.0010 -0.0510 0.0073  32  THR B OG1 
1082 C CG2 . THR B 18  ? 0.3173 0.2146 0.1632 0.0030  -0.0181 -0.0237 32  THR B CG2 
1083 N N   . ALA B 19  ? 0.2716 0.1678 0.1484 0.0372  0.0242  -0.0057 33  ALA B N   
1084 C CA  . ALA B 19  ? 0.2814 0.1736 0.1445 0.0364  0.0491  -0.0196 33  ALA B CA  
1085 C C   . ALA B 19  ? 0.3199 0.1664 0.1328 0.0430  0.0606  0.0035  33  ALA B C   
1086 O O   . ALA B 19  ? 0.3415 0.1946 0.1783 0.0361  0.1043  -0.0012 33  ALA B O   
1087 C CB  . ALA B 19  ? 0.2670 0.1808 0.1807 0.0200  0.0337  -0.0162 33  ALA B CB  
1088 N N   . GLY B 20  ? 0.3176 0.1561 0.1410 0.0444  0.0411  -0.0098 34  GLY B N   
1089 C CA  . GLY B 20  ? 0.3488 0.1499 0.1605 0.0420  0.0502  -0.0278 34  GLY B CA  
1090 C C   . GLY B 20  ? 0.3369 0.1374 0.1706 0.0430  0.0652  -0.0296 34  GLY B C   
1091 O O   . GLY B 20  ? 0.2987 0.1286 0.1647 0.0181  0.0330  -0.0342 34  GLY B O   
1092 N N   . ALA B 21  ? 0.3497 0.1413 0.1919 0.0523  0.0928  -0.0218 35  ALA B N   
1093 C CA  . ALA B 21  ? 0.3651 0.1637 0.2015 0.0621  0.0926  -0.0312 35  ALA B CA  
1094 C C   . ALA B 21  ? 0.3668 0.1647 0.2093 0.0506  0.0654  -0.0226 35  ALA B C   
1095 O O   . ALA B 21  ? 0.3767 0.1895 0.2388 0.0373  0.0376  -0.0157 35  ALA B O   
1096 C CB  . ALA B 21  ? 0.3772 0.1799 0.2036 0.0583  0.1086  -0.0298 35  ALA B CB  
1097 N N   . ASP B 22  ? 0.3541 0.1379 0.1650 0.0376  0.0715  -0.0265 36  ASP B N   
1098 C CA  . ASP B 22  ? 0.3518 0.1551 0.1718 0.0261  0.0715  -0.0409 36  ASP B CA  
1099 C C   . ASP B 22  ? 0.3303 0.1326 0.1698 0.0266  0.0619  -0.0359 36  ASP B C   
1100 O O   . ASP B 22  ? 0.3334 0.1400 0.1811 0.0215  0.0647  -0.0084 36  ASP B O   
1101 C CB  . ASP B 22  ? 0.3803 0.1932 0.2115 -0.0001 0.0551  -0.0479 36  ASP B CB  
1102 C CG  . ASP B 22  ? 0.3885 0.2271 0.2453 -0.0181 0.0535  -0.0562 36  ASP B CG  
1103 O OD1 . ASP B 22  ? 0.3771 0.2426 0.2038 -0.0141 0.0327  -0.0705 36  ASP B OD1 
1104 O OD2 . ASP B 22  ? 0.4079 0.2624 0.2907 -0.0147 0.0589  -0.0553 36  ASP B OD2 
1105 N N   . GLY B 23  ? 0.2938 0.1265 0.1610 0.0309  0.0473  -0.0373 37  GLY B N   
1106 C CA  . GLY B 23  ? 0.2849 0.1259 0.1294 0.0312  0.0408  -0.0316 37  GLY B CA  
1107 C C   . GLY B 23  ? 0.2629 0.1357 0.1095 0.0221  0.0147  -0.0388 37  GLY B C   
1108 O O   . GLY B 23  ? 0.2523 0.1165 0.1270 0.0077  0.0049  -0.0328 37  GLY B O   
1109 N N   . ALA B 24  ? 0.2586 0.1527 0.1402 0.0129  -0.0078 -0.0209 38  ALA B N   
1110 C CA  . ALA B 24  ? 0.2694 0.1622 0.1630 0.0098  0.0062  -0.0240 38  ALA B CA  
1111 C C   . ALA B 24  ? 0.2430 0.1602 0.1244 0.0151  0.0212  -0.0277 38  ALA B C   
1112 O O   . ALA B 24  ? 0.2700 0.1767 0.1391 0.0149  0.0521  -0.0252 38  ALA B O   
1113 C CB  . ALA B 24  ? 0.2678 0.1603 0.1994 -0.0005 -0.0199 -0.0208 38  ALA B CB  
1114 N N   . LEU B 25  ? 0.2236 0.1632 0.1349 0.0033  0.0087  -0.0136 39  LEU B N   
1115 C CA  . LEU B 25  ? 0.2301 0.1608 0.1311 -0.0105 0.0228  -0.0282 39  LEU B CA  
1116 C C   . LEU B 25  ? 0.2414 0.1610 0.1157 -0.0042 0.0149  -0.0159 39  LEU B C   
1117 O O   . LEU B 25  ? 0.2346 0.1718 0.1329 0.0116  0.0307  -0.0107 39  LEU B O   
1118 C CB  . LEU B 25  ? 0.2450 0.1653 0.1341 -0.0165 0.0180  -0.0333 39  LEU B CB  
1119 C CG  . LEU B 25  ? 0.2453 0.1524 0.1189 -0.0156 0.0071  -0.0246 39  LEU B CG  
1120 C CD1 . LEU B 25  ? 0.2414 0.1365 0.1332 -0.0117 0.0303  -0.0398 39  LEU B CD1 
1121 C CD2 . LEU B 25  ? 0.2518 0.1815 0.0985 -0.0097 0.0331  -0.0092 39  LEU B CD2 
1122 N N   . THR B 26  ? 0.2579 0.1643 0.1155 -0.0031 0.0079  -0.0271 40  THR B N   
1123 C CA  . THR B 26  ? 0.2636 0.1656 0.1158 -0.0036 0.0053  -0.0322 40  THR B CA  
1124 C C   . THR B 26  ? 0.2293 0.1668 0.1369 0.0012  -0.0010 -0.0053 40  THR B C   
1125 O O   . THR B 26  ? 0.2356 0.1822 0.2487 -0.0098 0.0004  0.0395  40  THR B O   
1126 C CB  . THR B 26  ? 0.2954 0.1823 0.1424 -0.0031 0.0156  -0.0161 40  THR B CB  
1127 O OG1 . THR B 26  ? 0.3147 0.2221 0.1877 0.0147  0.0380  -0.0148 40  THR B OG1 
1128 C CG2 . THR B 26  ? 0.3114 0.1801 0.1203 -0.0077 0.0147  -0.0302 40  THR B CG2 
1129 N N   . GLY B 27  ? 0.2224 0.1590 0.1272 0.0131  -0.0081 -0.0036 41  GLY B N   
1130 C CA  . GLY B 27  ? 0.2183 0.1640 0.1475 0.0357  -0.0021 -0.0005 41  GLY B CA  
1131 C C   . GLY B 27  ? 0.2216 0.1667 0.1313 0.0229  -0.0042 0.0008  41  GLY B C   
1132 O O   . GLY B 27  ? 0.2353 0.1864 0.1073 0.0070  -0.0024 0.0007  41  GLY B O   
1133 N N   . THR B 28  ? 0.2372 0.1635 0.1475 0.0157  -0.0011 -0.0101 42  THR B N   
1134 C CA  . THR B 28  ? 0.2626 0.1842 0.1643 0.0128  -0.0006 -0.0248 42  THR B CA  
1135 C C   . THR B 28  ? 0.2457 0.1844 0.1913 -0.0006 0.0174  -0.0033 42  THR B C   
1136 O O   . THR B 28  ? 0.2500 0.1796 0.2313 0.0132  0.0147  -0.0062 42  THR B O   
1137 C CB  . THR B 28  ? 0.3218 0.2104 0.1952 0.0040  -0.0347 -0.0089 42  THR B CB  
1138 O OG1 . THR B 28  ? 0.3545 0.2618 0.2292 0.0132  -0.0606 0.0022  42  THR B OG1 
1139 C CG2 . THR B 28  ? 0.3335 0.1987 0.1808 -0.0031 -0.0755 -0.0204 42  THR B CG2 
1140 N N   . TYR B 29  ? 0.2320 0.1819 0.1447 0.0167  -0.0059 -0.0161 43  TYR B N   
1141 C CA  . TYR B 29  ? 0.2485 0.1886 0.1369 0.0282  -0.0337 -0.0120 43  TYR B CA  
1142 C C   . TYR B 29  ? 0.2611 0.2106 0.1703 0.0318  -0.0238 -0.0033 43  TYR B C   
1143 O O   . TYR B 29  ? 0.2401 0.2132 0.1971 0.0190  -0.0345 -0.0030 43  TYR B O   
1144 C CB  . TYR B 29  ? 0.2640 0.1715 0.1356 0.0087  -0.0258 -0.0146 43  TYR B CB  
1145 C CG  . TYR B 29  ? 0.2817 0.1633 0.1241 0.0106  -0.0038 -0.0108 43  TYR B CG  
1146 C CD1 . TYR B 29  ? 0.2803 0.1674 0.1309 0.0099  0.0011  -0.0168 43  TYR B CD1 
1147 C CD2 . TYR B 29  ? 0.2851 0.1647 0.1102 0.0247  0.0153  0.0040  43  TYR B CD2 
1148 C CE1 . TYR B 29  ? 0.2896 0.1610 0.1615 0.0302  -0.0034 -0.0062 43  TYR B CE1 
1149 C CE2 . TYR B 29  ? 0.2968 0.1608 0.1027 0.0363  0.0344  -0.0071 43  TYR B CE2 
1150 C CZ  . TYR B 29  ? 0.2960 0.1573 0.1408 0.0162  0.0057  -0.0249 43  TYR B CZ  
1151 O OH  . TYR B 29  ? 0.2889 0.1706 0.1411 0.0088  0.0026  -0.0135 43  TYR B OH  
1152 N N   . GLU B 30  ? 0.3000 0.2335 0.2030 0.0406  -0.0220 -0.0159 44  GLU B N   
1153 C CA  A GLU B 30  ? 0.3339 0.2526 0.2361 0.0398  -0.0102 -0.0217 44  GLU B CA  
1154 C CA  B GLU B 30  ? 0.3356 0.2600 0.2443 0.0422  -0.0055 -0.0096 44  GLU B CA  
1155 C C   . GLU B 30  ? 0.3526 0.2585 0.2653 0.0462  0.0069  -0.0155 44  GLU B C   
1156 O O   . GLU B 30  ? 0.3358 0.2459 0.2864 0.0617  0.0267  0.0008  44  GLU B O   
1157 C CB  A GLU B 30  ? 0.3578 0.2670 0.2547 0.0352  -0.0132 -0.0262 44  GLU B CB  
1158 C CB  B GLU B 30  ? 0.3669 0.2884 0.2891 0.0455  0.0071  0.0140  44  GLU B CB  
1159 C CG  A GLU B 30  ? 0.3788 0.2776 0.2590 0.0324  -0.0254 -0.0340 44  GLU B CG  
1160 C CG  B GLU B 30  ? 0.3877 0.3106 0.3102 0.0550  0.0060  0.0322  44  GLU B CG  
1161 C CD  A GLU B 30  ? 0.4135 0.2923 0.2815 0.0292  -0.0132 -0.0445 44  GLU B CD  
1162 C CD  B GLU B 30  ? 0.4013 0.3316 0.3374 0.0683  0.0006  0.0553  44  GLU B CD  
1163 O OE1 A GLU B 30  ? 0.4301 0.3047 0.2781 0.0280  -0.0147 -0.0481 44  GLU B OE1 
1164 O OE1 B GLU B 30  ? 0.3924 0.3460 0.3395 0.0780  -0.0216 0.0762  44  GLU B OE1 
1165 O OE2 A GLU B 30  ? 0.4261 0.2916 0.2967 0.0291  -0.0189 -0.0420 44  GLU B OE2 
1166 O OE2 B GLU B 30  ? 0.4127 0.3347 0.3486 0.0770  0.0159  0.0492  44  GLU B OE2 
1167 N N   . SER B 31  ? 0.3953 0.2816 0.2934 0.0346  0.0066  0.0053  45  SER B N   
1168 C CA  . SER B 31  ? 0.4382 0.2903 0.3249 0.0501  -0.0040 0.0067  45  SER B CA  
1169 C C   . SER B 31  ? 0.4779 0.3200 0.3385 0.0493  -0.0018 0.0124  45  SER B C   
1170 O O   . SER B 31  ? 0.5016 0.3295 0.3569 0.0510  -0.0348 0.0393  45  SER B O   
1171 C CB  . SER B 31  ? 0.4483 0.2798 0.3306 0.0582  -0.0052 0.0026  45  SER B CB  
1172 O OG  . SER B 31  ? 0.4523 0.2714 0.3501 0.0618  0.0005  -0.0031 45  SER B OG  
1173 N N   . ALA B 32  ? 0.4867 0.3330 0.3385 0.0483  0.0470  -0.0026 46  ALA B N   
1174 C CA  . ALA B 32  ? 0.5076 0.3618 0.3632 0.0518  0.0693  -0.0157 46  ALA B CA  
1175 C C   . ALA B 32  ? 0.5122 0.3787 0.3542 0.0645  0.0546  -0.0310 46  ALA B C   
1176 O O   . ALA B 32  ? 0.5283 0.3929 0.3667 0.0584  0.0486  -0.0208 46  ALA B O   
1177 C CB  . ALA B 32  ? 0.5191 0.3700 0.3947 0.0458  0.0860  -0.0175 46  ALA B CB  
1178 N N   . VAL B 33  ? 0.5016 0.3824 0.3092 0.0749  0.0479  -0.0543 47  VAL B N   
1179 C CA  . VAL B 33  ? 0.4811 0.3877 0.2878 0.0878  0.0358  -0.0692 47  VAL B CA  
1180 C C   . VAL B 33  ? 0.4640 0.3942 0.2986 0.0791  0.0201  -0.0653 47  VAL B C   
1181 O O   . VAL B 33  ? 0.4674 0.3880 0.3034 0.0747  -0.0047 -0.0593 47  VAL B O   
1182 C CB  . VAL B 33  ? 0.4819 0.3948 0.3010 0.0977  0.0048  -0.0516 47  VAL B CB  
1183 C CG1 . VAL B 33  ? 0.4756 0.3956 0.2969 0.0934  -0.0077 -0.0371 47  VAL B CG1 
1184 C CG2 . VAL B 33  ? 0.4929 0.3958 0.2944 0.1046  0.0217  -0.0541 47  VAL B CG2 
1185 N N   . GLY B 34  ? 0.4495 0.4167 0.3137 0.0720  0.0074  -0.0528 48  GLY B N   
1186 C CA  . GLY B 34  ? 0.4370 0.4335 0.3279 0.0721  -0.0081 -0.0579 48  GLY B CA  
1187 C C   . GLY B 34  ? 0.4397 0.4489 0.3442 0.0777  -0.0094 -0.0581 48  GLY B C   
1188 O O   . GLY B 34  ? 0.4440 0.4556 0.3647 0.0698  -0.0163 -0.0528 48  GLY B O   
1189 N N   . ARG B 39  ? 0.3606 0.3328 0.3739 -0.0209 -0.0878 0.0618  53  ARG B N   
1190 C CA  . ARG B 39  ? 0.3638 0.3192 0.3142 -0.0111 -0.0781 0.0283  53  ARG B CA  
1191 C C   . ARG B 39  ? 0.3142 0.2916 0.2280 -0.0019 -0.0924 0.0039  53  ARG B C   
1192 O O   . ARG B 39  ? 0.3077 0.3048 0.2632 0.0003  -0.1176 0.0106  53  ARG B O   
1193 C CB  . ARG B 39  ? 0.4210 0.3524 0.3300 -0.0271 -0.0711 0.0130  53  ARG B CB  
1194 C CG  . ARG B 39  ? 0.4711 0.3903 0.3876 -0.0347 -0.0465 0.0010  53  ARG B CG  
1195 C CD  . ARG B 39  ? 0.5152 0.4227 0.4252 -0.0303 -0.0458 0.0101  53  ARG B CD  
1196 N NE  . ARG B 39  ? 0.5523 0.4491 0.4778 -0.0224 -0.0324 0.0149  53  ARG B NE  
1197 C CZ  . ARG B 39  ? 0.5709 0.4691 0.5181 -0.0135 -0.0264 0.0171  53  ARG B CZ  
1198 N NH1 . ARG B 39  ? 0.5788 0.4762 0.5426 -0.0098 -0.0206 0.0215  53  ARG B NH1 
1199 N NH2 . ARG B 39  ? 0.5751 0.4780 0.5182 -0.0101 -0.0254 0.0133  53  ARG B NH2 
1200 N N   . TYR B 40  ? 0.2668 0.2541 0.1431 0.0123  -0.0687 -0.0217 54  TYR B N   
1201 C CA  . TYR B 40  ? 0.2654 0.2239 0.1308 0.0200  -0.0184 -0.0169 54  TYR B CA  
1202 C C   . TYR B 40  ? 0.2597 0.2019 0.1279 0.0174  0.0025  -0.0231 54  TYR B C   
1203 O O   . TYR B 40  ? 0.2611 0.2012 0.1459 0.0061  0.0168  -0.0196 54  TYR B O   
1204 C CB  . TYR B 40  ? 0.2594 0.2175 0.1260 0.0225  0.0096  -0.0292 54  TYR B CB  
1205 C CG  . TYR B 40  ? 0.2694 0.2258 0.1231 0.0214  -0.0152 -0.0416 54  TYR B CG  
1206 C CD1 . TYR B 40  ? 0.2750 0.2322 0.1405 0.0373  -0.0464 -0.0258 54  TYR B CD1 
1207 C CD2 . TYR B 40  ? 0.2691 0.2306 0.1076 0.0266  -0.0111 -0.0479 54  TYR B CD2 
1208 C CE1 . TYR B 40  ? 0.2827 0.2443 0.1687 0.0449  -0.0253 -0.0119 54  TYR B CE1 
1209 C CE2 . TYR B 40  ? 0.2586 0.2353 0.1373 0.0394  -0.0262 -0.0336 54  TYR B CE2 
1210 C CZ  . TYR B 40  ? 0.2817 0.2495 0.1691 0.0586  -0.0134 -0.0196 54  TYR B CZ  
1211 O OH  . TYR B 40  ? 0.3093 0.2605 0.1929 0.0809  -0.0098 -0.0186 54  TYR B OH  
1212 N N   . VAL B 41  ? 0.2620 0.1911 0.1216 0.0132  0.0087  -0.0220 55  VAL B N   
1213 C CA  . VAL B 41  ? 0.2473 0.2071 0.1306 0.0010  0.0145  -0.0372 55  VAL B CA  
1214 C C   . VAL B 41  ? 0.2479 0.2070 0.1177 0.0177  0.0047  -0.0240 55  VAL B C   
1215 O O   . VAL B 41  ? 0.2246 0.2105 0.1353 0.0359  0.0103  -0.0145 55  VAL B O   
1216 C CB  . VAL B 41  ? 0.2553 0.2185 0.1556 -0.0063 0.0157  -0.0335 55  VAL B CB  
1217 C CG1 . VAL B 41  ? 0.2271 0.2162 0.1547 -0.0020 0.0190  -0.0183 55  VAL B CG1 
1218 C CG2 . VAL B 41  ? 0.2589 0.2320 0.1388 -0.0319 -0.0123 -0.0650 55  VAL B CG2 
1219 N N   . LEU B 42  ? 0.2591 0.2119 0.1098 0.0208  -0.0212 -0.0431 56  LEU B N   
1220 C CA  . LEU B 42  ? 0.2723 0.2227 0.1411 0.0297  -0.0127 -0.0446 56  LEU B CA  
1221 C C   . LEU B 42  ? 0.2498 0.2167 0.1059 0.0385  0.0016  -0.0533 56  LEU B C   
1222 O O   . LEU B 42  ? 0.2711 0.2325 0.1182 0.0506  -0.0097 -0.0658 56  LEU B O   
1223 C CB  . LEU B 42  ? 0.2832 0.2340 0.1770 -0.0012 -0.0184 -0.0169 56  LEU B CB  
1224 C CG  . LEU B 42  ? 0.2691 0.2451 0.1534 -0.0034 -0.0298 -0.0070 56  LEU B CG  
1225 C CD1 . LEU B 42  ? 0.2748 0.2454 0.1482 0.0165  0.0130  0.0010  56  LEU B CD1 
1226 C CD2 . LEU B 42  ? 0.2903 0.2550 0.2299 -0.0095 -0.0255 -0.0244 56  LEU B CD2 
1227 N N   A THR B 43  ? 0.2420 0.2220 0.1068 0.0207  -0.0063 -0.0502 57  THR B N   
1228 N N   B THR B 43  ? 0.2471 0.2051 0.1324 0.0139  -0.0247 -0.0366 57  THR B N   
1229 C CA  A THR B 43  ? 0.2249 0.2142 0.0955 0.0006  0.0123  -0.0423 57  THR B CA  
1230 C CA  B THR B 43  ? 0.2513 0.1732 0.1446 -0.0063 -0.0090 -0.0120 57  THR B CA  
1231 C C   A THR B 43  ? 0.2154 0.1917 0.0998 0.0127  0.0163  -0.0380 57  THR B C   
1232 C C   B THR B 43  ? 0.2204 0.1503 0.1225 0.0055  0.0038  -0.0109 57  THR B C   
1233 O O   A THR B 43  ? 0.2157 0.1836 0.0844 0.0264  0.0205  -0.0439 57  THR B O   
1234 O O   B THR B 43  ? 0.2108 0.1201 0.1202 0.0131  -0.0040 -0.0143 57  THR B O   
1235 C CB  A THR B 43  ? 0.2171 0.2404 0.1036 -0.0261 0.0059  -0.0380 57  THR B CB  
1236 C CB  B THR B 43  ? 0.2743 0.1877 0.1861 -0.0261 -0.0161 -0.0104 57  THR B CB  
1237 O OG1 A THR B 43  ? 0.2099 0.2659 0.0847 -0.0555 -0.0163 -0.0054 57  THR B OG1 
1238 O OG1 B THR B 43  ? 0.3190 0.2039 0.2654 -0.0193 -0.0177 0.0072  57  THR B OG1 
1239 C CG2 A THR B 43  ? 0.2067 0.2468 0.1435 -0.0146 -0.0025 -0.0179 57  THR B CG2 
1240 C CG2 B THR B 43  ? 0.2313 0.1845 0.1217 -0.0272 -0.0238 -0.0037 57  THR B CG2 
1241 N N   . GLY B 44  ? 0.2240 0.1809 0.1180 0.0093  -0.0107 -0.0292 58  GLY B N   
1242 C CA  . GLY B 44  ? 0.2021 0.1677 0.1267 0.0122  -0.0144 -0.0065 58  GLY B CA  
1243 C C   . GLY B 44  ? 0.1825 0.1449 0.1069 0.0203  0.0034  -0.0079 58  GLY B C   
1244 O O   . GLY B 44  ? 0.2003 0.1450 0.1195 0.0216  0.0193  -0.0276 58  GLY B O   
1245 N N   . ARG B 45  ? 0.1919 0.1313 0.1232 0.0263  -0.0053 -0.0034 59  ARG B N   
1246 C CA  . ARG B 45  ? 0.2213 0.1289 0.1283 0.0313  0.0018  -0.0131 59  ARG B CA  
1247 C C   . ARG B 45  ? 0.2046 0.1330 0.1404 0.0269  0.0105  -0.0353 59  ARG B C   
1248 O O   . ARG B 45  ? 0.2266 0.1333 0.1238 0.0290  -0.0009 -0.0295 59  ARG B O   
1249 C CB  . ARG B 45  ? 0.2559 0.1332 0.1492 0.0274  0.0127  -0.0021 59  ARG B CB  
1250 C CG  . ARG B 45  ? 0.2579 0.1453 0.1694 0.0083  0.0272  -0.0167 59  ARG B CG  
1251 C CD  . ARG B 45  ? 0.2576 0.1460 0.1660 0.0039  0.0238  -0.0298 59  ARG B CD  
1252 N NE  . ARG B 45  ? 0.2627 0.1275 0.1488 0.0207  0.0405  -0.0297 59  ARG B NE  
1253 C CZ  . ARG B 45  ? 0.2785 0.1505 0.1500 0.0443  0.0264  -0.0061 59  ARG B CZ  
1254 N NH1 . ARG B 45  ? 0.3005 0.1660 0.1313 0.0295  0.0026  0.0056  59  ARG B NH1 
1255 N NH2 . ARG B 45  ? 0.2752 0.1619 0.1722 0.0470  0.0311  0.0141  59  ARG B NH2 
1256 N N   . TYR B 46  ? 0.2182 0.1482 0.1388 0.0140  0.0161  -0.0473 60  TYR B N   
1257 C CA  . TYR B 46  ? 0.2181 0.1487 0.1446 0.0149  0.0183  -0.0361 60  TYR B CA  
1258 C C   . TYR B 46  ? 0.1904 0.1569 0.1444 0.0330  0.0087  -0.0430 60  TYR B C   
1259 O O   . TYR B 46  ? 0.1990 0.1592 0.1450 0.0303  0.0023  -0.0448 60  TYR B O   
1260 C CB  . TYR B 46  ? 0.2214 0.1398 0.1381 0.0177  0.0430  -0.0357 60  TYR B CB  
1261 C CG  . TYR B 46  ? 0.2307 0.1400 0.1381 0.0322  0.0383  -0.0191 60  TYR B CG  
1262 C CD1 . TYR B 46  ? 0.2365 0.1377 0.1437 0.0306  0.0425  -0.0180 60  TYR B CD1 
1263 C CD2 . TYR B 46  ? 0.2413 0.1505 0.1736 0.0263  0.0254  -0.0210 60  TYR B CD2 
1264 C CE1 . TYR B 46  ? 0.2327 0.1497 0.1518 0.0250  0.0412  -0.0285 60  TYR B CE1 
1265 C CE2 . TYR B 46  ? 0.2455 0.1502 0.1600 0.0258  0.0329  -0.0349 60  TYR B CE2 
1266 C CZ  . TYR B 46  ? 0.2371 0.1638 0.1511 0.0345  0.0426  -0.0395 60  TYR B CZ  
1267 O OH  . TYR B 46  ? 0.2262 0.2088 0.1655 0.0352  0.0364  -0.0364 60  TYR B OH  
1268 N N   . ASP B 47  ? 0.2051 0.1757 0.1534 0.0423  0.0118  -0.0410 61  ASP B N   
1269 C CA  . ASP B 47  ? 0.2007 0.1866 0.1608 0.0489  -0.0118 -0.0624 61  ASP B CA  
1270 C C   . ASP B 47  ? 0.1962 0.1806 0.1682 0.0333  0.0096  -0.0668 61  ASP B C   
1271 O O   . ASP B 47  ? 0.1944 0.1964 0.1788 0.0167  0.0225  -0.0493 61  ASP B O   
1272 C CB  . ASP B 47  ? 0.2153 0.1936 0.1580 0.0598  -0.0267 -0.0523 61  ASP B CB  
1273 C CG  . ASP B 47  ? 0.2238 0.1949 0.1953 0.0664  -0.0290 -0.0548 61  ASP B CG  
1274 O OD1 . ASP B 47  ? 0.2331 0.2013 0.2018 0.0798  -0.0153 -0.0597 61  ASP B OD1 
1275 O OD2 . ASP B 47  ? 0.2117 0.1991 0.2062 0.0518  -0.0371 -0.0578 61  ASP B OD2 
1276 N N   . SER B 48  ? 0.2030 0.1827 0.1547 0.0431  0.0106  -0.0735 62  SER B N   
1277 C CA  . SER B 48  ? 0.2215 0.1903 0.1610 0.0235  0.0222  -0.0707 62  SER B CA  
1278 C C   . SER B 48  ? 0.2325 0.2183 0.1758 0.0230  0.0164  -0.0721 62  SER B C   
1279 O O   . SER B 48  ? 0.2519 0.2550 0.1838 0.0223  0.0443  -0.0736 62  SER B O   
1280 C CB  . SER B 48  ? 0.2475 0.1797 0.1703 0.0133  0.0240  -0.0585 62  SER B CB  
1281 O OG  . SER B 48  ? 0.2736 0.1850 0.1785 0.0227  0.0318  -0.0443 62  SER B OG  
1282 N N   . ALA B 49  ? 0.2198 0.2149 0.1979 0.0243  -0.0252 -0.0716 63  ALA B N   
1283 C CA  . ALA B 49  ? 0.2169 0.2147 0.2332 0.0373  -0.0250 -0.0631 63  ALA B CA  
1284 C C   . ALA B 49  ? 0.2097 0.2177 0.2335 0.0341  -0.0178 -0.0504 63  ALA B C   
1285 O O   . ALA B 49  ? 0.2341 0.2405 0.2314 0.0428  -0.0042 -0.0298 63  ALA B O   
1286 C CB  . ALA B 49  ? 0.2238 0.2196 0.2730 0.0562  -0.0276 -0.0558 63  ALA B CB  
1287 N N   . PRO B 50  ? 0.1967 0.2137 0.2338 0.0244  -0.0093 -0.0560 64  PRO B N   
1288 C CA  . PRO B 50  ? 0.2220 0.2188 0.2437 0.0325  -0.0123 -0.0502 64  PRO B CA  
1289 C C   . PRO B 50  ? 0.2492 0.2422 0.2580 0.0298  -0.0292 -0.0624 64  PRO B C   
1290 O O   . PRO B 50  ? 0.2491 0.2580 0.2885 0.0222  -0.0438 -0.0719 64  PRO B O   
1291 C CB  . PRO B 50  ? 0.2337 0.2136 0.2427 0.0424  -0.0077 -0.0644 64  PRO B CB  
1292 C CG  . PRO B 50  ? 0.2255 0.2054 0.2478 0.0283  -0.0050 -0.0632 64  PRO B CG  
1293 C CD  . PRO B 50  ? 0.2163 0.2078 0.2470 0.0252  -0.0115 -0.0672 64  PRO B CD  
1294 N N   . ALA B 51  ? 0.2491 0.2555 0.2626 0.0222  -0.0218 -0.0607 65  ALA B N   
1295 C CA  . ALA B 51  ? 0.2518 0.2741 0.2552 0.0049  -0.0188 -0.0653 65  ALA B CA  
1296 C C   . ALA B 51  ? 0.2699 0.3065 0.2628 0.0061  -0.0045 -0.0707 65  ALA B C   
1297 O O   . ALA B 51  ? 0.2955 0.3159 0.2702 0.0154  0.0029  -0.0567 65  ALA B O   
1298 C CB  . ALA B 51  ? 0.2669 0.2786 0.2484 -0.0087 -0.0428 -0.0599 65  ALA B CB  
1299 N N   . THR B 52  ? 0.2848 0.3370 0.2871 -0.0150 0.0195  -0.0721 66  THR B N   
1300 C CA  . THR B 52  ? 0.3042 0.3691 0.2862 -0.0138 0.0594  -0.0916 66  THR B CA  
1301 C C   . THR B 52  ? 0.2845 0.3708 0.2643 -0.0260 0.0700  -0.0593 66  THR B C   
1302 O O   . THR B 52  ? 0.2951 0.3850 0.2731 -0.0250 0.1018  -0.0497 66  THR B O   
1303 C CB  . THR B 52  ? 0.3311 0.3986 0.3432 0.0144  0.0899  -0.1130 66  THR B CB  
1304 O OG1 . THR B 52  ? 0.3527 0.4209 0.4044 0.0214  0.1110  -0.1052 66  THR B OG1 
1305 C CG2 . THR B 52  ? 0.3407 0.4137 0.3252 0.0318  0.0824  -0.1315 66  THR B CG2 
1306 N N   . ASP B 53  ? 0.2337 0.3525 0.2308 -0.0141 0.0701  -0.0542 67  ASP B N   
1307 C CA  . ASP B 53  ? 0.2139 0.3274 0.2388 -0.0185 0.0425  -0.0442 67  ASP B CA  
1308 C C   . ASP B 53  ? 0.2307 0.3266 0.2592 -0.0146 0.0470  -0.0369 67  ASP B C   
1309 O O   . ASP B 53  ? 0.2566 0.3355 0.3371 -0.0153 0.0199  -0.0501 67  ASP B O   
1310 C CB  . ASP B 53  ? 0.1986 0.3084 0.2362 -0.0046 0.0364  -0.0524 67  ASP B CB  
1311 C CG  . ASP B 53  ? 0.2025 0.2895 0.2269 0.0042  0.0377  -0.0589 67  ASP B CG  
1312 O OD1 . ASP B 53  ? 0.1910 0.2803 0.2239 -0.0108 0.0391  -0.0501 67  ASP B OD1 
1313 O OD2 . ASP B 53  ? 0.2232 0.2914 0.2467 0.0160  0.0218  -0.0416 67  ASP B OD2 
1314 N N   . GLY B 54  ? 0.2328 0.3230 0.2609 -0.0105 0.0711  0.0018  68  GLY B N   
1315 C CA  . GLY B 54  ? 0.2297 0.3190 0.2692 -0.0040 0.0667  0.0323  68  GLY B CA  
1316 C C   . GLY B 54  ? 0.2145 0.3166 0.2635 -0.0019 0.0640  0.0437  68  GLY B C   
1317 O O   . GLY B 54  ? 0.2378 0.3234 0.3006 0.0169  0.0627  0.0602  68  GLY B O   
1318 N N   . SER B 55  ? 0.1823 0.3072 0.1756 -0.0167 0.0392  0.0247  69  SER B N   
1319 C CA  . SER B 55  ? 0.1795 0.2970 0.1916 -0.0178 0.0240  0.0185  69  SER B CA  
1320 C C   . SER B 55  ? 0.1919 0.2536 0.1726 -0.0091 0.0360  0.0113  69  SER B C   
1321 O O   . SER B 55  ? 0.1914 0.2621 0.1814 -0.0066 0.0475  0.0025  69  SER B O   
1322 C CB  . SER B 55  ? 0.1994 0.3201 0.2054 -0.0165 0.0121  0.0249  69  SER B CB  
1323 O OG  . SER B 55  ? 0.2181 0.3361 0.2107 0.0003  0.0130  -0.0128 69  SER B OG  
1324 N N   . GLY B 56  ? 0.1799 0.1990 0.1468 -0.0133 0.0351  0.0044  70  GLY B N   
1325 C CA  . GLY B 56  ? 0.2042 0.1789 0.1601 0.0117  0.0273  -0.0212 70  GLY B CA  
1326 C C   . GLY B 56  ? 0.1827 0.1694 0.1138 0.0330  0.0353  -0.0329 70  GLY B C   
1327 O O   . GLY B 56  ? 0.1869 0.1829 0.1512 0.0274  0.0081  -0.0086 70  GLY B O   
1328 N N   . THR B 57  ? 0.1914 0.1867 0.1283 0.0043  0.0238  -0.0313 71  THR B N   
1329 C CA  . THR B 57  ? 0.2106 0.1780 0.1151 0.0040  0.0172  -0.0366 71  THR B CA  
1330 C C   . THR B 57  ? 0.1926 0.1617 0.0881 0.0097  0.0238  0.0014  71  THR B C   
1331 O O   . THR B 57  ? 0.1830 0.1585 0.1477 0.0262  0.0166  0.0038  71  THR B O   
1332 C CB  . THR B 57  ? 0.2155 0.1797 0.1254 -0.0048 0.0252  -0.0439 71  THR B CB  
1333 O OG1 . THR B 57  ? 0.2102 0.2060 0.1616 0.0053  0.0419  -0.0282 71  THR B OG1 
1334 C CG2 . THR B 57  ? 0.2172 0.1691 0.1600 -0.0123 -0.0070 -0.0488 71  THR B CG2 
1335 N N   . ALA B 58  ? 0.1910 0.1577 0.1036 0.0034  0.0052  -0.0086 72  ALA B N   
1336 C CA  . ALA B 58  ? 0.1793 0.1677 0.1045 0.0152  0.0013  0.0002  72  ALA B CA  
1337 C C   . ALA B 58  ? 0.1783 0.1605 0.1020 0.0177  -0.0013 -0.0167 72  ALA B C   
1338 O O   . ALA B 58  ? 0.1982 0.1664 0.1384 0.0322  0.0065  -0.0281 72  ALA B O   
1339 C CB  . ALA B 58  ? 0.1974 0.1694 0.1355 0.0153  0.0185  0.0120  72  ALA B CB  
1340 N N   . LEU B 59  ? 0.1859 0.1556 0.1118 0.0188  0.0077  -0.0070 73  LEU B N   
1341 C CA  . LEU B 59  ? 0.1938 0.1589 0.1094 0.0325  0.0161  -0.0016 73  LEU B CA  
1342 C C   . LEU B 59  ? 0.1829 0.1453 0.1259 0.0244  0.0229  -0.0086 73  LEU B C   
1343 O O   . LEU B 59  ? 0.2029 0.1554 0.1290 0.0148  0.0135  -0.0372 73  LEU B O   
1344 C CB  . LEU B 59  ? 0.2475 0.1645 0.1509 0.0419  0.0375  0.0220  73  LEU B CB  
1345 C CG  . LEU B 59  ? 0.3237 0.1910 0.1681 0.0442  0.0735  0.0224  73  LEU B CG  
1346 C CD1 . LEU B 59  ? 0.3658 0.2160 0.1953 0.0548  0.0494  0.0200  73  LEU B CD1 
1347 C CD2 . LEU B 59  ? 0.3597 0.2014 0.1740 0.0305  0.1105  0.0352  73  LEU B CD2 
1348 N N   . GLY B 60  ? 0.1563 0.1472 0.1202 0.0061  0.0162  -0.0011 74  GLY B N   
1349 C CA  . GLY B 60  ? 0.1720 0.1463 0.0933 -0.0080 0.0208  0.0010  74  GLY B CA  
1350 C C   . GLY B 60  ? 0.1756 0.1282 0.0985 -0.0066 -0.0261 0.0014  74  GLY B C   
1351 O O   . GLY B 60  ? 0.2109 0.1203 0.1178 0.0106  0.0001  -0.0253 74  GLY B O   
1352 N N   . TRP B 61  ? 0.1742 0.1290 0.1241 0.0003  0.0005  0.0010  75  TRP B N   
1353 C CA  . TRP B 61  ? 0.1722 0.1264 0.0991 0.0021  0.0201  -0.0029 75  TRP B CA  
1354 C C   . TRP B 61  ? 0.1681 0.1176 0.0960 0.0077  0.0238  -0.0138 75  TRP B C   
1355 O O   . TRP B 61  ? 0.2013 0.1198 0.1111 -0.0045 0.0164  -0.0181 75  TRP B O   
1356 C CB  . TRP B 61  ? 0.2288 0.1224 0.1143 0.0025  0.0145  0.0157  75  TRP B CB  
1357 C CG  . TRP B 61  ? 0.2286 0.1239 0.1114 -0.0090 0.0076  0.0025  75  TRP B CG  
1358 C CD1 . TRP B 61  ? 0.2392 0.1338 0.1174 -0.0051 0.0079  0.0014  75  TRP B CD1 
1359 C CD2 . TRP B 61  ? 0.2243 0.1315 0.1242 -0.0131 0.0040  0.0022  75  TRP B CD2 
1360 N NE1 . TRP B 61  ? 0.2388 0.1477 0.1057 -0.0053 0.0315  -0.0010 75  TRP B NE1 
1361 C CE2 . TRP B 61  ? 0.2288 0.1337 0.0927 -0.0176 0.0045  0.0017  75  TRP B CE2 
1362 C CE3 . TRP B 61  ? 0.2260 0.1426 0.1448 -0.0220 -0.0107 -0.0025 75  TRP B CE3 
1363 C CZ2 . TRP B 61  ? 0.2468 0.1407 0.0923 -0.0249 0.0157  0.0108  75  TRP B CZ2 
1364 C CZ3 . TRP B 61  ? 0.2343 0.1454 0.1328 -0.0179 -0.0172 0.0114  75  TRP B CZ3 
1365 C CH2 . TRP B 61  ? 0.2538 0.1523 0.1110 -0.0265 0.0096  0.0032  75  TRP B CH2 
1366 N N   . THR B 62  ? 0.1728 0.1327 0.1145 0.0145  0.0029  -0.0048 76  THR B N   
1367 C CA  . THR B 62  ? 0.1983 0.1385 0.1039 0.0092  0.0049  -0.0177 76  THR B CA  
1368 C C   . THR B 62  ? 0.2074 0.1431 0.0943 0.0102  -0.0005 -0.0299 76  THR B C   
1369 O O   . THR B 62  ? 0.2264 0.1508 0.1064 0.0077  0.0128  -0.0283 76  THR B O   
1370 C CB  . THR B 62  ? 0.2044 0.1455 0.1263 0.0136  0.0124  -0.0248 76  THR B CB  
1371 O OG1 . THR B 62  ? 0.2014 0.1530 0.1088 0.0198  -0.0066 -0.0051 76  THR B OG1 
1372 C CG2 . THR B 62  ? 0.2121 0.1508 0.1389 0.0240  0.0169  -0.0106 76  THR B CG2 
1373 N N   . VAL B 63  ? 0.2193 0.1524 0.0972 0.0084  -0.0035 -0.0248 77  VAL B N   
1374 C CA  . VAL B 63  ? 0.2260 0.1620 0.1205 0.0060  0.0078  -0.0309 77  VAL B CA  
1375 C C   . VAL B 63  ? 0.2052 0.1723 0.1275 0.0016  -0.0033 -0.0661 77  VAL B C   
1376 O O   . VAL B 63  ? 0.2144 0.1929 0.1473 0.0066  -0.0134 -0.0706 77  VAL B O   
1377 C CB  . VAL B 63  ? 0.2592 0.1600 0.1223 0.0101  -0.0305 -0.0256 77  VAL B CB  
1378 C CG1 . VAL B 63  ? 0.2725 0.1598 0.1710 0.0175  -0.0759 -0.0316 77  VAL B CG1 
1379 C CG2 . VAL B 63  ? 0.2702 0.1651 0.1080 0.0042  0.0210  -0.0370 77  VAL B CG2 
1380 N N   . ALA B 64  ? 0.2137 0.1887 0.1399 0.0018  0.0320  -0.0516 78  ALA B N   
1381 C CA  . ALA B 64  ? 0.2242 0.1995 0.1291 0.0033  0.0137  -0.0346 78  ALA B CA  
1382 C C   . ALA B 64  ? 0.2098 0.2155 0.1559 0.0065  0.0100  -0.0395 78  ALA B C   
1383 O O   . ALA B 64  ? 0.2123 0.2235 0.1522 0.0177  0.0104  -0.0494 78  ALA B O   
1384 C CB  . ALA B 64  ? 0.2187 0.1985 0.1640 0.0085  -0.0075 -0.0512 78  ALA B CB  
1385 N N   . TRP B 65  ? 0.2028 0.2069 0.1431 0.0187  -0.0152 -0.0391 79  TRP B N   
1386 C CA  . TRP B 65  ? 0.2016 0.2094 0.1545 0.0068  -0.0183 -0.0498 79  TRP B CA  
1387 C C   . TRP B 65  ? 0.2202 0.2416 0.1596 0.0162  -0.0174 -0.0533 79  TRP B C   
1388 O O   . TRP B 65  ? 0.2103 0.2499 0.1601 0.0288  -0.0207 -0.0705 79  TRP B O   
1389 C CB  . TRP B 65  ? 0.2293 0.1992 0.1634 -0.0005 -0.0151 -0.0496 79  TRP B CB  
1390 C CG  . TRP B 65  ? 0.2356 0.1870 0.1470 -0.0019 0.0014  -0.0368 79  TRP B CG  
1391 C CD1 . TRP B 65  ? 0.2484 0.1782 0.1524 -0.0039 0.0094  -0.0276 79  TRP B CD1 
1392 C CD2 . TRP B 65  ? 0.2421 0.1681 0.1262 0.0051  -0.0054 -0.0178 79  TRP B CD2 
1393 N NE1 . TRP B 65  ? 0.2469 0.1707 0.1293 0.0060  0.0094  -0.0057 79  TRP B NE1 
1394 C CE2 . TRP B 65  ? 0.2446 0.1638 0.1243 0.0166  0.0032  -0.0087 79  TRP B CE2 
1395 C CE3 . TRP B 65  ? 0.2669 0.1589 0.1482 0.0049  -0.0055 -0.0200 79  TRP B CE3 
1396 C CZ2 . TRP B 65  ? 0.2604 0.1554 0.1676 0.0134  -0.0015 -0.0049 79  TRP B CZ2 
1397 C CZ3 . TRP B 65  ? 0.2875 0.1573 0.1617 -0.0202 -0.0271 -0.0180 79  TRP B CZ3 
1398 C CH2 . TRP B 65  ? 0.2815 0.1523 0.1513 -0.0096 -0.0193 -0.0043 79  TRP B CH2 
1399 N N   . LYS B 66  ? 0.2072 0.2568 0.1555 0.0036  -0.0371 -0.0528 80  LYS B N   
1400 C CA  . LYS B 66  ? 0.2190 0.2712 0.1541 -0.0047 -0.0140 -0.0555 80  LYS B CA  
1401 C C   . LYS B 66  ? 0.1987 0.2897 0.1556 -0.0098 0.0107  -0.0525 80  LYS B C   
1402 O O   . LYS B 66  ? 0.1880 0.2835 0.1489 -0.0081 0.0012  -0.0392 80  LYS B O   
1403 C CB  . LYS B 66  ? 0.2343 0.2709 0.1741 -0.0212 -0.0293 -0.0447 80  LYS B CB  
1404 C CG  . LYS B 66  ? 0.2781 0.2803 0.1839 -0.0267 -0.0067 -0.0436 80  LYS B CG  
1405 C CD  . LYS B 66  ? 0.3285 0.3011 0.2338 -0.0500 -0.0020 -0.0379 80  LYS B CD  
1406 C CE  . LYS B 66  ? 0.3691 0.3244 0.2816 -0.0684 -0.0084 -0.0218 80  LYS B CE  
1407 N NZ  . LYS B 66  ? 0.3896 0.3463 0.3072 -0.0971 -0.0188 -0.0235 80  LYS B NZ  
1408 N N   . ASN B 67  ? 0.2242 0.3265 0.1577 0.0089  -0.0141 -0.0567 81  ASN B N   
1409 C CA  . ASN B 67  ? 0.2592 0.3635 0.1722 0.0093  -0.0335 -0.0535 81  ASN B CA  
1410 C C   . ASN B 67  ? 0.2811 0.4196 0.2106 0.0154  -0.0573 -0.0749 81  ASN B C   
1411 O O   . ASN B 67  ? 0.2760 0.4255 0.1967 0.0110  -0.0262 -0.1017 81  ASN B O   
1412 C CB  . ASN B 67  ? 0.2845 0.3509 0.1467 0.0308  -0.0153 -0.0193 81  ASN B CB  
1413 C CG  . ASN B 67  ? 0.3124 0.3507 0.1602 0.0642  -0.0326 -0.0118 81  ASN B CG  
1414 O OD1 . ASN B 67  ? 0.3253 0.3546 0.1758 0.0855  -0.0266 -0.0065 81  ASN B OD1 
1415 N ND2 . ASN B 67  ? 0.3265 0.3398 0.1596 0.0721  -0.0377 -0.0092 81  ASN B ND2 
1416 N N   . ASN B 68  ? 0.3141 0.4659 0.2343 0.0267  -0.0956 -0.0952 82  ASN B N   
1417 C CA  . ASN B 68  ? 0.3531 0.5135 0.2536 0.0368  -0.1131 -0.1035 82  ASN B CA  
1418 C C   . ASN B 68  ? 0.3467 0.5447 0.2717 0.0634  -0.1165 -0.0946 82  ASN B C   
1419 O O   . ASN B 68  ? 0.3580 0.5602 0.3353 0.0533  -0.0987 -0.1000 82  ASN B O   
1420 C CB  . ASN B 68  ? 0.4098 0.5292 0.2816 0.0228  -0.0815 -0.1212 82  ASN B CB  
1421 C CG  . ASN B 68  ? 0.4750 0.5403 0.3101 0.0103  -0.0316 -0.1115 82  ASN B CG  
1422 O OD1 . ASN B 68  ? 0.5071 0.5449 0.3450 -0.0014 -0.0126 -0.0961 82  ASN B OD1 
1423 N ND2 . ASN B 68  ? 0.4965 0.5435 0.3247 0.0110  0.0049  -0.1099 82  ASN B ND2 
1424 N N   . TYR B 69  ? 0.3443 0.5520 0.2471 0.0916  -0.0874 -0.0814 83  TYR B N   
1425 C CA  . TYR B 69  ? 0.3731 0.5581 0.2514 0.1056  -0.0488 -0.0491 83  TYR B CA  
1426 C C   . TYR B 69  ? 0.3708 0.5319 0.2438 0.1273  -0.0456 -0.0483 83  TYR B C   
1427 O O   . TYR B 69  ? 0.3863 0.5466 0.2747 0.1379  -0.0560 -0.0233 83  TYR B O   
1428 C CB  . TYR B 69  ? 0.3957 0.5851 0.2794 0.0951  0.0016  -0.0319 83  TYR B CB  
1429 C CG  . TYR B 69  ? 0.4288 0.6102 0.2903 0.0782  0.0102  -0.0362 83  TYR B CG  
1430 C CD1 . TYR B 69  ? 0.4501 0.6208 0.2989 0.0673  0.0144  -0.0428 83  TYR B CD1 
1431 C CD2 . TYR B 69  ? 0.4364 0.6206 0.3004 0.0791  0.0202  -0.0434 83  TYR B CD2 
1432 C CE1 . TYR B 69  ? 0.4581 0.6294 0.3048 0.0611  0.0176  -0.0424 83  TYR B CE1 
1433 C CE2 . TYR B 69  ? 0.4496 0.6303 0.3013 0.0658  0.0064  -0.0445 83  TYR B CE2 
1434 C CZ  . TYR B 69  ? 0.4640 0.6349 0.3025 0.0558  0.0122  -0.0429 83  TYR B CZ  
1435 O OH  . TYR B 69  ? 0.4797 0.6411 0.2893 0.0412  0.0139  -0.0412 83  TYR B OH  
1436 N N   . ARG B 70  ? 0.3504 0.4867 0.2116 0.1277  -0.0618 -0.0555 84  ARG B N   
1437 C CA  . ARG B 70  ? 0.3658 0.4429 0.2216 0.1063  -0.0490 -0.0549 84  ARG B CA  
1438 C C   . ARG B 70  ? 0.2958 0.3869 0.1792 0.0877  -0.0553 -0.0667 84  ARG B C   
1439 O O   . ARG B 70  ? 0.2819 0.3881 0.1920 0.0898  -0.0543 -0.0495 84  ARG B O   
1440 C CB  . ARG B 70  ? 0.4355 0.4559 0.2954 0.1069  -0.0539 -0.0354 84  ARG B CB  
1441 C CG  . ARG B 70  ? 0.4871 0.4739 0.3662 0.0961  -0.0523 -0.0355 84  ARG B CG  
1442 C CD  . ARG B 70  ? 0.5293 0.4880 0.4314 0.0882  -0.0523 -0.0329 84  ARG B CD  
1443 N NE  . ARG B 70  ? 0.5715 0.5040 0.4800 0.0834  -0.0475 -0.0269 84  ARG B NE  
1444 C CZ  . ARG B 70  ? 0.6087 0.5213 0.5077 0.0795  -0.0500 -0.0197 84  ARG B CZ  
1445 N NH1 . ARG B 70  ? 0.6210 0.5271 0.5172 0.0776  -0.0434 -0.0192 84  ARG B NH1 
1446 N NH2 . ARG B 70  ? 0.6253 0.5301 0.5217 0.0773  -0.0508 -0.0161 84  ARG B NH2 
1447 N N   . ASN B 71  ? 0.2459 0.3372 0.1626 0.0567  -0.0170 -0.0613 85  ASN B N   
1448 C CA  . ASN B 71  ? 0.2364 0.2918 0.1526 0.0267  -0.0035 -0.0559 85  ASN B CA  
1449 C C   . ASN B 71  ? 0.2360 0.2679 0.1636 0.0124  0.0156  -0.0441 85  ASN B C   
1450 O O   . ASN B 71  ? 0.2176 0.2601 0.1920 0.0105  0.0228  -0.0553 85  ASN B O   
1451 C CB  . ASN B 71  ? 0.2178 0.2830 0.1612 0.0021  -0.0066 -0.0608 85  ASN B CB  
1452 C CG  . ASN B 71  ? 0.1738 0.2718 0.1580 -0.0001 -0.0083 -0.0530 85  ASN B CG  
1453 O OD1 . ASN B 71  ? 0.1966 0.2645 0.1914 0.0112  0.0060  -0.0476 85  ASN B OD1 
1454 N ND2 . ASN B 71  ? 0.1649 0.2721 0.1760 0.0050  0.0158  -0.0580 85  ASN B ND2 
1455 N N   . ALA B 72  ? 0.2415 0.2373 0.1662 -0.0052 -0.0040 -0.0475 86  ALA B N   
1456 C CA  . ALA B 72  ? 0.2618 0.2264 0.1552 -0.0157 0.0054  -0.0331 86  ALA B CA  
1457 C C   . ALA B 72  ? 0.2390 0.2328 0.1527 -0.0018 0.0190  -0.0391 86  ALA B C   
1458 O O   . ALA B 72  ? 0.2544 0.2439 0.1619 0.0008  0.0042  -0.0519 86  ALA B O   
1459 C CB  . ALA B 72  ? 0.2872 0.2187 0.1676 -0.0178 -0.0012 -0.0379 86  ALA B CB  
1460 N N   . HIS B 73  ? 0.2128 0.2293 0.1678 0.0054  0.0352  -0.0151 87  HIS B N   
1461 C CA  . HIS B 73  ? 0.2023 0.2241 0.1517 0.0004  0.0410  -0.0135 87  HIS B CA  
1462 C C   . HIS B 73  ? 0.2039 0.2216 0.1412 0.0033  0.0377  -0.0349 87  HIS B C   
1463 O O   . HIS B 73  ? 0.2191 0.2266 0.1627 0.0000  0.0308  -0.0352 87  HIS B O   
1464 C CB  . HIS B 73  ? 0.2068 0.2390 0.1639 -0.0154 0.0289  -0.0210 87  HIS B CB  
1465 C CG  . HIS B 73  ? 0.2120 0.2485 0.1794 -0.0187 0.0058  -0.0456 87  HIS B CG  
1466 N ND1 . HIS B 73  ? 0.2031 0.2511 0.1892 -0.0158 0.0059  -0.0512 87  HIS B ND1 
1467 C CD2 . HIS B 73  ? 0.2185 0.2610 0.1865 -0.0074 0.0029  -0.0476 87  HIS B CD2 
1468 C CE1 . HIS B 73  ? 0.2087 0.2519 0.1928 -0.0067 0.0111  -0.0553 87  HIS B CE1 
1469 N NE2 . HIS B 73  ? 0.2180 0.2609 0.1944 0.0023  0.0042  -0.0455 87  HIS B NE2 
1470 N N   . SER B 74  ? 0.2103 0.2176 0.1461 0.0075  0.0227  -0.0208 88  SER B N   
1471 C CA  . SER B 74  ? 0.2026 0.2046 0.1711 0.0000  0.0090  -0.0132 88  SER B CA  
1472 C C   . SER B 74  ? 0.2018 0.1966 0.1617 -0.0057 0.0275  -0.0325 88  SER B C   
1473 O O   . SER B 74  ? 0.2146 0.1945 0.1559 -0.0120 0.0107  -0.0406 88  SER B O   
1474 C CB  . SER B 74  ? 0.2302 0.2187 0.1958 -0.0044 0.0167  -0.0050 88  SER B CB  
1475 O OG  . SER B 74  ? 0.2340 0.2376 0.1926 -0.0085 0.0295  -0.0135 88  SER B OG  
1476 N N   . ALA B 75  ? 0.2001 0.1825 0.1499 0.0027  0.0284  -0.0433 89  ALA B N   
1477 C CA  . ALA B 75  ? 0.1852 0.1562 0.1569 -0.0087 0.0372  -0.0492 89  ALA B CA  
1478 C C   . ALA B 75  ? 0.1851 0.1628 0.1229 -0.0062 0.0078  -0.0318 89  ALA B C   
1479 O O   . ALA B 75  ? 0.1999 0.1720 0.1259 -0.0161 0.0142  -0.0216 89  ALA B O   
1480 C CB  . ALA B 75  ? 0.2185 0.1513 0.1785 -0.0116 0.0203  -0.0225 89  ALA B CB  
1481 N N   . THR B 76  ? 0.1821 0.1639 0.1185 0.0039  0.0163  -0.0280 90  THR B N   
1482 C CA  . THR B 76  ? 0.2001 0.1532 0.1321 0.0052  0.0197  -0.0296 90  THR B CA  
1483 C C   . THR B 76  ? 0.1899 0.1601 0.1131 -0.0003 -0.0179 -0.0314 90  THR B C   
1484 O O   . THR B 76  ? 0.1937 0.1699 0.1249 0.0020  -0.0085 -0.0460 90  THR B O   
1485 C CB  . THR B 76  ? 0.2087 0.1612 0.1462 0.0094  0.0044  -0.0203 90  THR B CB  
1486 O OG1 . THR B 76  ? 0.1906 0.1788 0.1356 0.0263  -0.0073 -0.0285 90  THR B OG1 
1487 C CG2 . THR B 76  ? 0.2023 0.1756 0.1676 0.0268  0.0009  -0.0039 90  THR B CG2 
1488 N N   . THR B 77  ? 0.2139 0.1442 0.0958 0.0013  0.0075  -0.0185 91  THR B N   
1489 C CA  . THR B 77  ? 0.2283 0.1303 0.1069 0.0104  0.0180  -0.0192 91  THR B CA  
1490 C C   . THR B 77  ? 0.2093 0.1306 0.1134 -0.0052 0.0071  -0.0397 91  THR B C   
1491 O O   . THR B 77  ? 0.2263 0.1574 0.1399 -0.0203 0.0243  -0.0481 91  THR B O   
1492 C CB  . THR B 77  ? 0.2413 0.1417 0.0890 -0.0083 -0.0055 0.0080  91  THR B CB  
1493 O OG1 . THR B 77  ? 0.2420 0.1878 0.1070 -0.0064 0.0075  -0.0056 91  THR B OG1 
1494 C CG2 . THR B 77  ? 0.2585 0.1347 0.1306 -0.0095 0.0156  0.0017  91  THR B CG2 
1495 N N   . TRP B 78  ? 0.2047 0.1182 0.1071 -0.0003 0.0171  0.0001  92  TRP B N   
1496 C CA  . TRP B 78  ? 0.2164 0.1254 0.0917 0.0119  0.0174  -0.0006 92  TRP B CA  
1497 C C   . TRP B 78  ? 0.1945 0.1263 0.0907 0.0250  0.0003  -0.0099 92  TRP B C   
1498 O O   . TRP B 78  ? 0.2043 0.1362 0.1017 0.0218  -0.0005 -0.0251 92  TRP B O   
1499 C CB  . TRP B 78  ? 0.2340 0.1272 0.0977 0.0253  0.0297  0.0204  92  TRP B CB  
1500 C CG  . TRP B 78  ? 0.2251 0.1328 0.0894 0.0309  -0.0050 -0.0025 92  TRP B CG  
1501 C CD1 . TRP B 78  ? 0.2254 0.1347 0.0892 0.0302  0.0133  0.0005  92  TRP B CD1 
1502 C CD2 . TRP B 78  ? 0.2131 0.1433 0.1058 0.0252  -0.0043 -0.0231 92  TRP B CD2 
1503 N NE1 . TRP B 78  ? 0.2167 0.1417 0.0786 0.0182  0.0060  -0.0144 92  TRP B NE1 
1504 C CE2 . TRP B 78  ? 0.2114 0.1451 0.1160 0.0161  0.0126  -0.0100 92  TRP B CE2 
1505 C CE3 . TRP B 78  ? 0.1941 0.1473 0.0917 0.0156  -0.0176 -0.0293 92  TRP B CE3 
1506 C CZ2 . TRP B 78  ? 0.1998 0.1510 0.1098 0.0142  0.0156  -0.0019 92  TRP B CZ2 
1507 C CZ3 . TRP B 78  ? 0.1797 0.1569 0.1199 0.0188  0.0007  -0.0258 92  TRP B CZ3 
1508 C CH2 . TRP B 78  ? 0.1871 0.1580 0.1211 0.0180  0.0044  -0.0027 92  TRP B CH2 
1509 N N   . SER B 79  ? 0.2093 0.1201 0.0893 0.0243  0.0025  0.0104  93  SER B N   
1510 C CA  . SER B 79  ? 0.2247 0.1279 0.0795 0.0190  0.0102  0.0168  93  SER B CA  
1511 C C   . SER B 79  ? 0.1943 0.1370 0.0940 0.0081  0.0237  0.0140  93  SER B C   
1512 O O   . SER B 79  ? 0.1995 0.1240 0.1243 0.0220  0.0193  -0.0025 93  SER B O   
1513 C CB  . SER B 79  ? 0.2217 0.1564 0.1008 0.0249  0.0001  0.0162  93  SER B CB  
1514 O OG  . SER B 79  ? 0.2219 0.1966 0.1246 0.0085  -0.0110 0.0316  93  SER B OG  
1515 N N   . GLY B 80  ? 0.1981 0.1300 0.1095 0.0146  0.0144  0.0137  94  GLY B N   
1516 C CA  . GLY B 80  ? 0.1900 0.1338 0.1215 0.0179  0.0384  0.0075  94  GLY B CA  
1517 C C   . GLY B 80  ? 0.1617 0.1432 0.1012 0.0181  0.0119  0.0058  94  GLY B C   
1518 O O   . GLY B 80  ? 0.1862 0.1444 0.1157 0.0227  0.0004  -0.0164 94  GLY B O   
1519 N N   . GLN B 81  ? 0.1656 0.1777 0.0993 0.0212  0.0279  0.0068  95  GLN B N   
1520 C CA  . GLN B 81  ? 0.1902 0.2032 0.1227 0.0220  0.0398  0.0063  95  GLN B CA  
1521 C C   . GLN B 81  ? 0.2080 0.1942 0.1327 0.0233  0.0435  0.0096  95  GLN B C   
1522 O O   . GLN B 81  ? 0.2147 0.1926 0.1194 0.0136  0.0265  -0.0151 95  GLN B O   
1523 C CB  . GLN B 81  ? 0.2338 0.2317 0.1875 0.0231  0.0367  -0.0154 95  GLN B CB  
1524 C CG  . GLN B 81  ? 0.2478 0.2428 0.1934 0.0126  0.0235  -0.0136 95  GLN B CG  
1525 C CD  . GLN B 81  ? 0.2284 0.2514 0.1747 0.0140  -0.0159 -0.0403 95  GLN B CD  
1526 O OE1 . GLN B 81  ? 0.2020 0.2431 0.1741 0.0138  0.0065  -0.0363 95  GLN B OE1 
1527 N NE2 . GLN B 81  ? 0.2626 0.2628 0.1685 0.0077  -0.0100 -0.0409 95  GLN B NE2 
1528 N N   . TYR B 82  ? 0.2331 0.1934 0.1031 0.0040  0.0402  0.0078  96  TYR B N   
1529 C CA  . TYR B 82  ? 0.2276 0.2094 0.1018 -0.0063 0.0197  0.0059  96  TYR B CA  
1530 C C   . TYR B 82  ? 0.2207 0.2239 0.1213 0.0018  -0.0073 0.0299  96  TYR B C   
1531 O O   . TYR B 82  ? 0.2103 0.2352 0.1435 -0.0073 -0.0081 0.0322  96  TYR B O   
1532 C CB  . TYR B 82  ? 0.2492 0.2195 0.0955 0.0000  0.0241  -0.0152 96  TYR B CB  
1533 C CG  . TYR B 82  ? 0.2496 0.2417 0.1141 0.0128  0.0213  -0.0133 96  TYR B CG  
1534 C CD1 . TYR B 82  ? 0.2673 0.2512 0.1137 -0.0124 0.0219  -0.0026 96  TYR B CD1 
1535 C CD2 . TYR B 82  ? 0.2676 0.2684 0.1383 0.0269  0.0365  -0.0034 96  TYR B CD2 
1536 C CE1 . TYR B 82  ? 0.2875 0.2756 0.1284 -0.0109 0.0360  0.0054  96  TYR B CE1 
1537 C CE2 . TYR B 82  ? 0.2919 0.2967 0.1591 0.0145  0.0442  -0.0082 96  TYR B CE2 
1538 C CZ  . TYR B 82  ? 0.3017 0.2997 0.1517 -0.0149 0.0602  -0.0090 96  TYR B CZ  
1539 O OH  . TYR B 82  ? 0.3235 0.3274 0.1681 -0.0478 0.0855  -0.0128 96  TYR B OH  
1540 N N   . VAL B 83  ? 0.2316 0.2514 0.1285 -0.0274 0.0047  0.0484  97  VAL B N   
1541 C CA  . VAL B 83  ? 0.2924 0.2865 0.1921 -0.0325 0.0290  0.0629  97  VAL B CA  
1542 C C   . VAL B 83  ? 0.2892 0.3209 0.2242 -0.0188 0.0804  0.0921  97  VAL B C   
1543 O O   . VAL B 83  ? 0.2697 0.3405 0.2365 0.0049  0.0705  0.0886  97  VAL B O   
1544 C CB  . VAL B 83  ? 0.3388 0.2943 0.2247 -0.0639 -0.0087 0.0305  97  VAL B CB  
1545 C CG1 . VAL B 83  ? 0.3732 0.3084 0.2729 -0.0688 -0.0171 0.0378  97  VAL B CG1 
1546 C CG2 . VAL B 83  ? 0.3506 0.2924 0.2251 -0.0740 -0.0384 0.0126  97  VAL B CG2 
1547 N N   . GLY B 84  ? 0.3076 0.3455 0.2796 -0.0150 0.0759  0.0997  98  GLY B N   
1548 C CA  . GLY B 84  ? 0.3387 0.3764 0.3241 -0.0196 0.0944  0.1062  98  GLY B CA  
1549 C C   . GLY B 84  ? 0.3646 0.4069 0.3481 -0.0302 0.1353  0.1018  98  GLY B C   
1550 O O   . GLY B 84  ? 0.3815 0.4216 0.3902 -0.0379 0.1428  0.0690  98  GLY B O   
1551 N N   . GLY B 85  ? 0.3985 0.4214 0.3625 -0.0328 0.1310  0.1276  99  GLY B N   
1552 C CA  . GLY B 85  ? 0.4044 0.4270 0.3747 -0.0461 0.1106  0.1325  99  GLY B CA  
1553 C C   . GLY B 85  ? 0.4125 0.4320 0.3620 -0.0488 0.1140  0.1330  99  GLY B C   
1554 O O   . GLY B 85  ? 0.4214 0.4370 0.3298 -0.0606 0.1037  0.1265  99  GLY B O   
1555 N N   . ALA B 86  ? 0.4154 0.4292 0.3910 -0.0484 0.1133  0.1324  100 ALA B N   
1556 C CA  . ALA B 86  ? 0.4257 0.4218 0.4117 -0.0446 0.1272  0.1377  100 ALA B CA  
1557 C C   . ALA B 86  ? 0.4322 0.4075 0.3971 -0.0383 0.1403  0.1261  100 ALA B C   
1558 O O   . ALA B 86  ? 0.4521 0.4204 0.4078 -0.0299 0.1608  0.1406  100 ALA B O   
1559 C CB  . ALA B 86  ? 0.4243 0.4249 0.4205 -0.0535 0.1249  0.1517  100 ALA B CB  
1560 N N   . GLU B 87  ? 0.4134 0.3716 0.3749 -0.0562 0.1357  0.0955  101 GLU B N   
1561 C CA  . GLU B 87  ? 0.4053 0.3384 0.3508 -0.0622 0.1214  0.0671  101 GLU B CA  
1562 C C   . GLU B 87  ? 0.3785 0.3000 0.2884 -0.0697 0.0965  0.0539  101 GLU B C   
1563 O O   . GLU B 87  ? 0.3984 0.2859 0.3031 -0.0851 0.0669  0.0213  101 GLU B O   
1564 C CB  . GLU B 87  ? 0.4312 0.3550 0.4041 -0.0577 0.1018  0.0600  101 GLU B CB  
1565 C CG  . GLU B 87  ? 0.4481 0.3649 0.4344 -0.0470 0.0974  0.0552  101 GLU B CG  
1566 C CD  . GLU B 87  ? 0.4660 0.3730 0.4538 -0.0361 0.0964  0.0518  101 GLU B CD  
1567 O OE1 . GLU B 87  ? 0.4723 0.3765 0.4684 -0.0270 0.0928  0.0450  101 GLU B OE1 
1568 O OE2 . GLU B 87  ? 0.4756 0.3773 0.4603 -0.0317 0.0965  0.0513  101 GLU B OE2 
1569 N N   . ALA B 88  ? 0.3411 0.2832 0.2398 -0.0361 0.0946  0.0430  102 ALA B N   
1570 C CA  . ALA B 88  ? 0.3021 0.2512 0.1881 -0.0211 0.0795  0.0317  102 ALA B CA  
1571 C C   . ALA B 88  ? 0.2884 0.2271 0.1676 -0.0139 0.0479  0.0387  102 ALA B C   
1572 O O   . ALA B 88  ? 0.2781 0.2216 0.1739 -0.0103 0.0170  0.0745  102 ALA B O   
1573 C CB  . ALA B 88  ? 0.3062 0.2540 0.1755 -0.0199 0.0674  0.0182  102 ALA B CB  
1574 N N   . ARG B 89  ? 0.2752 0.2101 0.1043 -0.0332 0.0293  0.0216  103 ARG B N   
1575 C CA  . ARG B 89  ? 0.2717 0.1977 0.1146 -0.0291 0.0448  0.0222  103 ARG B CA  
1576 C C   . ARG B 89  ? 0.2337 0.1908 0.1223 -0.0184 0.0534  0.0124  103 ARG B C   
1577 O O   . ARG B 89  ? 0.2255 0.2085 0.1767 0.0010  0.0503  0.0079  103 ARG B O   
1578 C CB  . ARG B 89  ? 0.3124 0.2063 0.1676 -0.0312 0.0297  0.0115  103 ARG B CB  
1579 C CG  . ARG B 89  ? 0.3471 0.2098 0.1998 -0.0337 0.0229  0.0127  103 ARG B CG  
1580 C CD  . ARG B 89  ? 0.3588 0.2003 0.2599 -0.0335 0.0187  -0.0119 103 ARG B CD  
1581 N NE  . ARG B 89  ? 0.3657 0.2013 0.3095 -0.0229 0.0086  -0.0169 103 ARG B NE  
1582 C CZ  . ARG B 89  ? 0.3821 0.2223 0.3410 -0.0214 0.0054  -0.0223 103 ARG B CZ  
1583 N NH1 . ARG B 89  ? 0.3710 0.2299 0.3293 -0.0090 0.0067  -0.0207 103 ARG B NH1 
1584 N NH2 . ARG B 89  ? 0.4147 0.2468 0.3948 -0.0261 0.0097  -0.0167 103 ARG B NH2 
1585 N N   . ILE B 90  ? 0.2457 0.1861 0.0886 -0.0144 0.0363  0.0123  104 ILE B N   
1586 C CA  . ILE B 90  ? 0.2548 0.1684 0.0809 -0.0136 0.0328  0.0150  104 ILE B CA  
1587 C C   . ILE B 90  ? 0.2565 0.1548 0.1049 -0.0007 0.0470  0.0097  104 ILE B C   
1588 O O   . ILE B 90  ? 0.2447 0.1504 0.1157 0.0095  0.0440  0.0094  104 ILE B O   
1589 C CB  . ILE B 90  ? 0.2784 0.1605 0.0894 0.0043  0.0333  0.0041  104 ILE B CB  
1590 C CG1 . ILE B 90  ? 0.2649 0.1497 0.1298 0.0046  0.0420  -0.0088 104 ILE B CG1 
1591 C CG2 . ILE B 90  ? 0.3166 0.1649 0.1192 -0.0185 0.0503  0.0091  104 ILE B CG2 
1592 C CD1 . ILE B 90  ? 0.2735 0.1566 0.1516 0.0181  0.0144  -0.0023 104 ILE B CD1 
1593 N N   . ASN B 91  ? 0.2666 0.1349 0.1113 0.0062  0.0482  0.0182  105 ASN B N   
1594 C CA  . ASN B 91  ? 0.2560 0.1384 0.1193 -0.0007 0.0355  0.0037  105 ASN B CA  
1595 C C   . ASN B 91  ? 0.2161 0.1134 0.1049 0.0066  0.0293  -0.0032 105 ASN B C   
1596 O O   . ASN B 91  ? 0.2265 0.1083 0.1408 0.0182  0.0362  0.0258  105 ASN B O   
1597 C CB  . ASN B 91  ? 0.2808 0.1650 0.1569 -0.0295 0.0207  0.0299  105 ASN B CB  
1598 C CG  . ASN B 91  ? 0.3052 0.2052 0.1995 -0.0432 0.0095  0.0419  105 ASN B CG  
1599 O OD1 . ASN B 91  ? 0.3104 0.1967 0.2346 -0.0563 0.0128  0.0602  105 ASN B OD1 
1600 N ND2 . ASN B 91  ? 0.3166 0.2410 0.1935 -0.0474 0.0087  0.0289  105 ASN B ND2 
1601 N N   . THR B 92  ? 0.2143 0.1357 0.0873 0.0019  0.0187  -0.0022 106 THR B N   
1602 C CA  . THR B 92  ? 0.2145 0.1217 0.0855 -0.0008 0.0144  -0.0180 106 THR B CA  
1603 C C   . THR B 92  ? 0.2014 0.1155 0.0918 -0.0064 0.0044  -0.0018 106 THR B C   
1604 O O   . THR B 92  ? 0.2142 0.1321 0.1189 -0.0047 -0.0011 -0.0028 106 THR B O   
1605 C CB  . THR B 92  ? 0.2080 0.1295 0.1212 0.0164  0.0023  -0.0173 106 THR B CB  
1606 O OG1 . THR B 92  ? 0.2044 0.1340 0.1338 0.0078  -0.0028 0.0064  106 THR B OG1 
1607 C CG2 . THR B 92  ? 0.2057 0.1395 0.1081 0.0073  0.0315  -0.0291 106 THR B CG2 
1608 N N   . GLN B 93  ? 0.2006 0.1353 0.1069 -0.0048 0.0350  -0.0045 107 GLN B N   
1609 C CA  . GLN B 93  ? 0.2009 0.1502 0.0951 -0.0007 0.0310  0.0098  107 GLN B CA  
1610 C C   . GLN B 93  ? 0.1947 0.1253 0.0891 -0.0010 0.0287  0.0014  107 GLN B C   
1611 O O   . GLN B 93  ? 0.2067 0.1180 0.1417 0.0201  0.0273  -0.0183 107 GLN B O   
1612 C CB  . GLN B 93  ? 0.2291 0.1729 0.1290 -0.0164 0.0327  -0.0062 107 GLN B CB  
1613 C CG  . GLN B 93  ? 0.2567 0.1952 0.1605 -0.0151 0.0102  -0.0119 107 GLN B CG  
1614 C CD  . GLN B 93  ? 0.2882 0.2018 0.1532 -0.0045 0.0253  -0.0103 107 GLN B CD  
1615 O OE1 . GLN B 93  ? 0.3044 0.2375 0.2062 0.0157  0.0001  -0.0287 107 GLN B OE1 
1616 N NE2 . GLN B 93  ? 0.3236 0.1721 0.1340 -0.0195 0.0504  -0.0023 107 GLN B NE2 
1617 N N   . TRP B 94  ? 0.1814 0.1298 0.1111 0.0025  0.0405  0.0050  108 TRP B N   
1618 C CA  . TRP B 94  ? 0.1908 0.1406 0.0865 0.0067  0.0106  -0.0018 108 TRP B CA  
1619 C C   . TRP B 94  ? 0.1878 0.1365 0.0886 0.0101  0.0239  -0.0034 108 TRP B C   
1620 O O   . TRP B 94  ? 0.2039 0.1406 0.1028 0.0057  0.0193  0.0033  108 TRP B O   
1621 C CB  . TRP B 94  ? 0.2026 0.1411 0.0940 0.0383  0.0092  0.0028  108 TRP B CB  
1622 C CG  . TRP B 94  ? 0.2199 0.1368 0.0935 0.0444  -0.0051 -0.0063 108 TRP B CG  
1623 C CD1 . TRP B 94  ? 0.2575 0.1357 0.1217 0.0272  -0.0086 -0.0086 108 TRP B CD1 
1624 C CD2 . TRP B 94  ? 0.2240 0.1458 0.0809 0.0279  0.0093  -0.0160 108 TRP B CD2 
1625 N NE1 . TRP B 94  ? 0.2517 0.1339 0.1318 0.0161  0.0153  0.0119  108 TRP B NE1 
1626 C CE2 . TRP B 94  ? 0.2405 0.1506 0.1153 0.0136  0.0015  -0.0215 108 TRP B CE2 
1627 C CE3 . TRP B 94  ? 0.2224 0.1582 0.0897 0.0267  0.0036  -0.0404 108 TRP B CE3 
1628 C CZ2 . TRP B 94  ? 0.2209 0.1745 0.1129 0.0170  -0.0063 -0.0186 108 TRP B CZ2 
1629 C CZ3 . TRP B 94  ? 0.1887 0.1549 0.1131 0.0321  0.0022  -0.0095 108 TRP B CZ3 
1630 C CH2 . TRP B 94  ? 0.1904 0.1609 0.1118 0.0213  -0.0067 -0.0073 108 TRP B CH2 
1631 N N   . LEU B 95  ? 0.2014 0.1462 0.0963 0.0036  0.0265  -0.0053 109 LEU B N   
1632 C CA  . LEU B 95  ? 0.1876 0.1475 0.0985 -0.0092 0.0119  -0.0141 109 LEU B CA  
1633 C C   . LEU B 95  ? 0.1922 0.1706 0.1010 0.0059  0.0095  -0.0474 109 LEU B C   
1634 O O   . LEU B 95  ? 0.2135 0.2011 0.1132 0.0232  0.0179  -0.0710 109 LEU B O   
1635 C CB  . LEU B 95  ? 0.2098 0.1433 0.1109 -0.0005 0.0186  -0.0006 109 LEU B CB  
1636 C CG  . LEU B 95  ? 0.2219 0.1547 0.1500 0.0042  0.0108  -0.0109 109 LEU B CG  
1637 C CD1 . LEU B 95  ? 0.2247 0.1611 0.1661 0.0052  0.0039  0.0291  109 LEU B CD1 
1638 C CD2 . LEU B 95  ? 0.2651 0.1740 0.1580 -0.0046 0.0090  -0.0278 109 LEU B CD2 
1639 N N   . LEU B 96  ? 0.1896 0.1615 0.1122 0.0097  0.0206  -0.0127 110 LEU B N   
1640 C CA  . LEU B 96  ? 0.1928 0.1595 0.1273 0.0057  0.0252  -0.0125 110 LEU B CA  
1641 C C   . LEU B 96  ? 0.1868 0.1629 0.1084 -0.0153 0.0272  -0.0321 110 LEU B C   
1642 O O   . LEU B 96  ? 0.2054 0.1696 0.1149 -0.0192 0.0214  -0.0363 110 LEU B O   
1643 C CB  . LEU B 96  ? 0.2197 0.1737 0.1421 0.0051  0.0146  -0.0073 110 LEU B CB  
1644 C CG  . LEU B 96  ? 0.2563 0.1937 0.1692 0.0143  0.0044  -0.0036 110 LEU B CG  
1645 C CD1 . LEU B 96  ? 0.2590 0.2000 0.1839 0.0058  -0.0039 -0.0172 110 LEU B CD1 
1646 C CD2 . LEU B 96  ? 0.2857 0.2077 0.1939 0.0270  0.0117  0.0148  110 LEU B CD2 
1647 N N   . THR B 97  ? 0.1854 0.1755 0.1283 -0.0218 0.0285  -0.0251 111 THR B N   
1648 C CA  . THR B 97  ? 0.1953 0.1903 0.1208 -0.0257 0.0305  -0.0238 111 THR B CA  
1649 C C   . THR B 97  ? 0.1943 0.2101 0.1110 -0.0255 0.0204  -0.0376 111 THR B C   
1650 O O   . THR B 97  ? 0.1938 0.2169 0.1249 -0.0208 0.0152  -0.0385 111 THR B O   
1651 C CB  . THR B 97  ? 0.2058 0.1866 0.1472 -0.0256 0.0580  -0.0147 111 THR B CB  
1652 O OG1 . THR B 97  ? 0.2185 0.1961 0.1783 -0.0362 0.0478  -0.0053 111 THR B OG1 
1653 C CG2 . THR B 97  ? 0.2318 0.1894 0.1689 -0.0269 0.0836  -0.0169 111 THR B CG2 
1654 N N   . SER B 98  ? 0.2203 0.2160 0.1425 -0.0132 0.0202  -0.0440 112 SER B N   
1655 C CA  . SER B 98  ? 0.2242 0.2353 0.1546 -0.0122 0.0256  -0.0569 112 SER B CA  
1656 C C   . SER B 98  ? 0.2396 0.2538 0.1560 -0.0362 0.0349  -0.0588 112 SER B C   
1657 O O   . SER B 98  ? 0.2429 0.2800 0.1584 -0.0120 0.0134  -0.0484 112 SER B O   
1658 C CB  . SER B 98  ? 0.2342 0.2379 0.1931 0.0023  -0.0126 -0.0592 112 SER B CB  
1659 O OG  . SER B 98  ? 0.2634 0.2492 0.2211 0.0337  -0.0268 -0.0440 112 SER B OG  
1660 N N   . GLY B 99  ? 0.2351 0.2473 0.1571 -0.0500 0.0670  -0.0729 113 GLY B N   
1661 C CA  . GLY B 99  ? 0.2527 0.2592 0.1984 -0.0452 0.0849  -0.0613 113 GLY B CA  
1662 C C   . GLY B 99  ? 0.2751 0.2731 0.2240 -0.0314 0.1010  -0.0537 113 GLY B C   
1663 O O   . GLY B 99  ? 0.2921 0.2877 0.2609 -0.0129 0.1090  -0.0483 113 GLY B O   
1664 N N   . THR B 100 ? 0.2694 0.2776 0.2100 -0.0440 0.0908  -0.0612 114 THR B N   
1665 C CA  . THR B 100 ? 0.2828 0.2903 0.2053 -0.0443 0.0877  -0.0570 114 THR B CA  
1666 C C   . THR B 100 ? 0.2777 0.3123 0.1876 -0.0438 0.0778  -0.0677 114 THR B C   
1667 O O   . THR B 100 ? 0.2803 0.3154 0.2022 -0.0578 0.0857  -0.0671 114 THR B O   
1668 C CB  . THR B 100 ? 0.2912 0.2814 0.2317 -0.0321 0.0920  -0.0611 114 THR B CB  
1669 O OG1 . THR B 100 ? 0.2804 0.2732 0.2386 -0.0261 0.0947  -0.0752 114 THR B OG1 
1670 C CG2 . THR B 100 ? 0.2978 0.2826 0.2305 -0.0349 0.0525  -0.0365 114 THR B CG2 
1671 N N   . THR B 101 ? 0.2725 0.3396 0.1952 -0.0348 0.0889  -0.0663 115 THR B N   
1672 C CA  . THR B 101 ? 0.2657 0.3692 0.2186 -0.0278 0.0995  -0.0500 115 THR B CA  
1673 C C   . THR B 101 ? 0.2789 0.3884 0.2172 -0.0327 0.1022  -0.0396 115 THR B C   
1674 O O   . THR B 101 ? 0.2558 0.3817 0.2156 -0.0395 0.1038  -0.0459 115 THR B O   
1675 C CB  . THR B 101 ? 0.2569 0.3902 0.2539 -0.0104 0.0839  -0.0495 115 THR B CB  
1676 O OG1 . THR B 101 ? 0.2474 0.3925 0.2531 -0.0094 0.0677  -0.0562 115 THR B OG1 
1677 C CG2 . THR B 101 ? 0.2599 0.4035 0.2778 -0.0035 0.0696  -0.0323 115 THR B CG2 
1678 N N   . GLU B 102 ? 0.3132 0.4104 0.2191 -0.0391 0.1106  -0.0211 116 GLU B N   
1679 C CA  . GLU B 102 ? 0.3482 0.4303 0.2238 -0.0439 0.0895  -0.0098 116 GLU B CA  
1680 C C   . GLU B 102 ? 0.3382 0.4258 0.2169 -0.0427 0.1004  -0.0126 116 GLU B C   
1681 O O   . GLU B 102 ? 0.3409 0.4366 0.2029 -0.0327 0.0964  0.0076  116 GLU B O   
1682 C CB  . GLU B 102 ? 0.3913 0.4547 0.2733 -0.0509 0.0625  0.0051  116 GLU B CB  
1683 C CG  . GLU B 102 ? 0.4350 0.4811 0.3232 -0.0492 0.0652  0.0096  116 GLU B CG  
1684 C CD  . GLU B 102 ? 0.4910 0.5027 0.3783 -0.0423 0.0483  0.0046  116 GLU B CD  
1685 O OE1 . GLU B 102 ? 0.5141 0.5141 0.4083 -0.0321 0.0494  0.0085  116 GLU B OE1 
1686 O OE2 . GLU B 102 ? 0.5101 0.5123 0.3930 -0.0491 0.0421  0.0041  116 GLU B OE2 
1687 N N   . ALA B 103 ? 0.3249 0.4155 0.2209 -0.0385 0.1162  -0.0431 117 ALA B N   
1688 C CA  . ALA B 103 ? 0.3169 0.4094 0.2433 -0.0286 0.1330  -0.0574 117 ALA B CA  
1689 C C   . ALA B 103 ? 0.3201 0.3911 0.2324 -0.0268 0.1151  -0.0589 117 ALA B C   
1690 O O   . ALA B 103 ? 0.3428 0.3914 0.2344 -0.0283 0.1331  -0.0571 117 ALA B O   
1691 C CB  . ALA B 103 ? 0.3188 0.4182 0.2642 -0.0197 0.1371  -0.0588 117 ALA B CB  
1692 N N   . ASN B 104 ? 0.2822 0.3751 0.2359 -0.0105 0.1059  -0.0576 118 ASN B N   
1693 C CA  . ASN B 104 ? 0.2611 0.3534 0.2289 0.0041  0.0706  -0.0694 118 ASN B CA  
1694 C C   . ASN B 104 ? 0.2672 0.3265 0.2039 -0.0105 0.0586  -0.0672 118 ASN B C   
1695 O O   . ASN B 104 ? 0.2786 0.3085 0.1942 -0.0242 0.0652  -0.0505 118 ASN B O   
1696 C CB  . ASN B 104 ? 0.2671 0.3585 0.2798 0.0347  0.0562  -0.0891 118 ASN B CB  
1697 C CG  . ASN B 104 ? 0.3094 0.3802 0.3234 0.0482  0.0433  -0.1059 118 ASN B CG  
1698 O OD1 . ASN B 104 ? 0.3430 0.3851 0.3426 0.0555  0.0528  -0.1204 118 ASN B OD1 
1699 N ND2 . ASN B 104 ? 0.3149 0.3927 0.3570 0.0496  0.0207  -0.0931 118 ASN B ND2 
1700 N N   . ALA B 105 ? 0.2539 0.3186 0.1897 -0.0205 0.0382  -0.0560 119 ALA B N   
1701 C CA  . ALA B 105 ? 0.2614 0.3240 0.2120 -0.0192 0.0449  -0.0622 119 ALA B CA  
1702 C C   . ALA B 105 ? 0.2595 0.3315 0.1879 -0.0247 0.0485  -0.0664 119 ALA B C   
1703 O O   . ALA B 105 ? 0.2279 0.3227 0.1668 -0.0058 0.0490  -0.0619 119 ALA B O   
1704 C CB  . ALA B 105 ? 0.2639 0.3301 0.2415 -0.0213 0.0520  -0.0642 119 ALA B CB  
1705 N N   . TRP B 106 ? 0.2926 0.3405 0.1667 -0.0456 0.0563  -0.0809 120 TRP B N   
1706 C CA  . TRP B 106 ? 0.3166 0.3489 0.1763 -0.0573 0.0838  -0.1009 120 TRP B CA  
1707 C C   . TRP B 106 ? 0.3249 0.3503 0.1849 -0.0456 0.0629  -0.0977 120 TRP B C   
1708 O O   . TRP B 106 ? 0.3230 0.3704 0.1941 -0.0427 0.0669  -0.0806 120 TRP B O   
1709 C CB  . TRP B 106 ? 0.3427 0.3694 0.2095 -0.0647 0.1050  -0.1063 120 TRP B CB  
1710 C CG  . TRP B 106 ? 0.3678 0.3739 0.2434 -0.0702 0.1159  -0.1172 120 TRP B CG  
1711 C CD1 . TRP B 106 ? 0.3635 0.3765 0.2498 -0.0761 0.1176  -0.1246 120 TRP B CD1 
1712 C CD2 . TRP B 106 ? 0.3829 0.3826 0.2974 -0.0758 0.1274  -0.1122 120 TRP B CD2 
1713 N NE1 . TRP B 106 ? 0.3626 0.3817 0.2605 -0.0773 0.1305  -0.1363 120 TRP B NE1 
1714 C CE2 . TRP B 106 ? 0.3825 0.3845 0.3081 -0.0735 0.1304  -0.1152 120 TRP B CE2 
1715 C CE3 . TRP B 106 ? 0.4026 0.3890 0.3274 -0.0712 0.1379  -0.1050 120 TRP B CE3 
1716 C CZ2 . TRP B 106 ? 0.3994 0.3944 0.3561 -0.0647 0.1359  -0.0965 120 TRP B CZ2 
1717 C CZ3 . TRP B 106 ? 0.4181 0.3983 0.3755 -0.0653 0.1371  -0.0930 120 TRP B CZ3 
1718 C CH2 . TRP B 106 ? 0.4128 0.3975 0.3908 -0.0639 0.1348  -0.0888 120 TRP B CH2 
1719 N N   . LYS B 107 ? 0.3078 0.3155 0.1773 -0.0198 0.0731  -0.1086 121 LYS B N   
1720 C CA  . LYS B 107 ? 0.2916 0.3018 0.2254 -0.0128 0.0865  -0.0983 121 LYS B CA  
1721 C C   . LYS B 107 ? 0.2674 0.2749 0.1911 -0.0100 0.0809  -0.0525 121 LYS B C   
1722 O O   . LYS B 107 ? 0.2744 0.2657 0.2212 -0.0036 0.0687  -0.0267 121 LYS B O   
1723 C CB  . LYS B 107 ? 0.2940 0.3176 0.2887 0.0033  0.0939  -0.0963 121 LYS B CB  
1724 C CG  . LYS B 107 ? 0.2984 0.3301 0.3371 0.0354  0.1119  -0.1016 121 LYS B CG  
1725 C CD  . LYS B 107 ? 0.3159 0.3488 0.4072 0.0361  0.1054  -0.0681 121 LYS B CD  
1726 C CE  . LYS B 107 ? 0.3413 0.3610 0.4733 0.0553  0.0997  -0.0580 121 LYS B CE  
1727 N NZ  . LYS B 107 ? 0.3718 0.3688 0.5349 0.0576  0.0927  -0.0545 121 LYS B NZ  
1728 N N   . SER B 108 ? 0.2557 0.2499 0.1435 -0.0058 0.0653  -0.0600 122 SER B N   
1729 C CA  . SER B 108 ? 0.2393 0.2318 0.1363 -0.0019 0.0565  -0.0413 122 SER B CA  
1730 C C   . SER B 108 ? 0.2128 0.2148 0.1442 -0.0057 0.0451  -0.0386 122 SER B C   
1731 O O   . SER B 108 ? 0.2240 0.2184 0.1400 -0.0101 0.0499  -0.0268 122 SER B O   
1732 C CB  . SER B 108 ? 0.2759 0.2330 0.1534 -0.0014 0.0390  -0.0434 122 SER B CB  
1733 O OG  . SER B 108 ? 0.3175 0.2349 0.1681 0.0029  0.0253  -0.0332 122 SER B OG  
1734 N N   . THR B 109 ? 0.2039 0.1891 0.1411 0.0016  0.0270  -0.0215 123 THR B N   
1735 C CA  . THR B 109 ? 0.2089 0.1645 0.1150 -0.0090 0.0220  -0.0117 123 THR B CA  
1736 C C   . THR B 109 ? 0.2242 0.1547 0.1036 -0.0190 0.0269  -0.0286 123 THR B C   
1737 O O   . THR B 109 ? 0.2526 0.1675 0.0975 -0.0191 -0.0036 -0.0264 123 THR B O   
1738 C CB  . THR B 109 ? 0.2467 0.1716 0.1343 -0.0066 0.0247  0.0089  123 THR B CB  
1739 O OG1 . THR B 109 ? 0.2663 0.1711 0.2004 -0.0192 0.0168  0.0100  123 THR B OG1 
1740 C CG2 . THR B 109 ? 0.2445 0.1863 0.1137 0.0257  0.0249  0.0174  123 THR B CG2 
1741 N N   . LEU B 110 ? 0.2139 0.1522 0.0980 -0.0049 0.0315  -0.0189 124 LEU B N   
1742 C CA  . LEU B 110 ? 0.2235 0.1473 0.0950 0.0026  0.0230  -0.0088 124 LEU B CA  
1743 C C   . LEU B 110 ? 0.2171 0.1491 0.1090 0.0007  0.0287  -0.0199 124 LEU B C   
1744 O O   . LEU B 110 ? 0.2171 0.1472 0.1274 0.0106  0.0066  -0.0334 124 LEU B O   
1745 C CB  . LEU B 110 ? 0.2487 0.1534 0.1362 0.0078  0.0028  -0.0169 124 LEU B CB  
1746 C CG  . LEU B 110 ? 0.2503 0.1606 0.1570 0.0119  -0.0047 -0.0306 124 LEU B CG  
1747 C CD1 . LEU B 110 ? 0.2398 0.1675 0.1676 0.0063  -0.0406 -0.0185 124 LEU B CD1 
1748 C CD2 . LEU B 110 ? 0.2791 0.1663 0.2052 0.0003  0.0029  -0.0371 124 LEU B CD2 
1749 N N   . VAL B 111 ? 0.2104 0.1542 0.1061 -0.0128 0.0214  -0.0133 125 VAL B N   
1750 C CA  . VAL B 111 ? 0.1987 0.1435 0.1167 -0.0124 0.0166  -0.0064 125 VAL B CA  
1751 C C   . VAL B 111 ? 0.1861 0.1333 0.1003 -0.0060 0.0033  -0.0240 125 VAL B C   
1752 O O   . VAL B 111 ? 0.1882 0.1356 0.1508 0.0109  0.0118  -0.0270 125 VAL B O   
1753 C CB  . VAL B 111 ? 0.2241 0.1496 0.0898 0.0029  0.0087  -0.0092 125 VAL B CB  
1754 C CG1 . VAL B 111 ? 0.2655 0.1459 0.1000 0.0088  0.0171  -0.0279 125 VAL B CG1 
1755 C CG2 . VAL B 111 ? 0.2337 0.1596 0.1258 0.0054  0.0132  0.0022  125 VAL B CG2 
1756 N N   . GLY B 112 ? 0.1991 0.1292 0.0977 -0.0025 0.0051  -0.0114 126 GLY B N   
1757 C CA  . GLY B 112 ? 0.2182 0.1281 0.1073 0.0038  0.0107  -0.0013 126 GLY B CA  
1758 C C   . GLY B 112 ? 0.2234 0.1245 0.0989 -0.0112 0.0183  0.0061  126 GLY B C   
1759 O O   . GLY B 112 ? 0.2301 0.1252 0.1177 -0.0033 0.0241  -0.0027 126 GLY B O   
1760 N N   . HIS B 113 ? 0.2259 0.1295 0.1080 0.0316  0.0368  -0.0102 127 HIS B N   
1761 C CA  . HIS B 113 ? 0.2577 0.1345 0.1086 0.0277  0.0029  -0.0071 127 HIS B CA  
1762 C C   . HIS B 113 ? 0.2796 0.1542 0.1232 0.0359  0.0365  0.0219  127 HIS B C   
1763 O O   . HIS B 113 ? 0.3300 0.1765 0.1542 0.0770  0.0482  0.0181  127 HIS B O   
1764 C CB  . HIS B 113 ? 0.2876 0.1331 0.1601 -0.0073 -0.0131 -0.0095 127 HIS B CB  
1765 C CG  . HIS B 113 ? 0.3150 0.1442 0.2248 -0.0174 -0.0192 -0.0239 127 HIS B CG  
1766 N ND1 . HIS B 113 ? 0.3539 0.1542 0.2914 -0.0219 -0.0113 -0.0306 127 HIS B ND1 
1767 C CD2 . HIS B 113 ? 0.3270 0.1497 0.2521 -0.0221 -0.0533 -0.0332 127 HIS B CD2 
1768 C CE1 . HIS B 113 ? 0.3651 0.1620 0.3126 -0.0232 -0.0213 -0.0230 127 HIS B CE1 
1769 N NE2 . HIS B 113 ? 0.3625 0.1726 0.3162 -0.0172 -0.0364 -0.0210 127 HIS B NE2 
1770 N N   . ASP B 114 ? 0.2651 0.1394 0.1115 0.0128  0.0405  0.0100  128 ASP B N   
1771 C CA  . ASP B 114 ? 0.2855 0.1471 0.0966 0.0171  0.0110  0.0008  128 ASP B CA  
1772 C C   . ASP B 114 ? 0.2704 0.1473 0.0871 0.0198  0.0061  0.0067  128 ASP B C   
1773 O O   . ASP B 114 ? 0.2569 0.1447 0.1147 0.0278  0.0107  0.0014  128 ASP B O   
1774 C CB  . ASP B 114 ? 0.3097 0.1606 0.1233 0.0196  0.0156  -0.0086 128 ASP B CB  
1775 C CG  . ASP B 114 ? 0.3206 0.1618 0.1763 0.0271  0.0153  -0.0020 128 ASP B CG  
1776 O OD1 . ASP B 114 ? 0.3605 0.1850 0.2302 0.0215  0.0207  -0.0002 128 ASP B OD1 
1777 O OD2 . ASP B 114 ? 0.2740 0.1685 0.1608 0.0436  0.0110  0.0047  128 ASP B OD2 
1778 N N   . THR B 115 ? 0.2799 0.1599 0.1016 0.0148  0.0331  -0.0075 129 THR B N   
1779 C CA  . THR B 115 ? 0.2705 0.1804 0.1035 0.0026  0.0342  -0.0081 129 THR B CA  
1780 C C   . THR B 115 ? 0.2624 0.1589 0.1031 0.0191  0.0340  0.0221  129 THR B C   
1781 O O   . THR B 115 ? 0.2760 0.1505 0.1478 0.0298  0.0112  0.0138  129 THR B O   
1782 C CB  . THR B 115 ? 0.3162 0.2436 0.1514 -0.0343 0.0354  -0.0450 129 THR B CB  
1783 O OG1 . THR B 115 ? 0.3573 0.2889 0.2096 -0.0417 0.0245  -0.0225 129 THR B OG1 
1784 C CG2 . THR B 115 ? 0.3208 0.2520 0.1863 -0.0173 0.0632  -0.0573 129 THR B CG2 
1785 N N   . PHE B 116 ? 0.2465 0.1540 0.0999 0.0181  0.0173  0.0045  130 PHE B N   
1786 C CA  . PHE B 116 ? 0.2474 0.1579 0.1137 0.0101  0.0397  -0.0095 130 PHE B CA  
1787 C C   . PHE B 116 ? 0.2571 0.1721 0.0984 -0.0064 0.0226  -0.0037 130 PHE B C   
1788 O O   . PHE B 116 ? 0.2654 0.1774 0.1192 -0.0219 0.0151  -0.0017 130 PHE B O   
1789 C CB  . PHE B 116 ? 0.2458 0.1575 0.1269 0.0024  0.0225  -0.0200 130 PHE B CB  
1790 C CG  . PHE B 116 ? 0.2422 0.1695 0.1164 0.0171  0.0176  -0.0023 130 PHE B CG  
1791 C CD1 . PHE B 116 ? 0.2474 0.1625 0.0966 0.0236  0.0265  -0.0114 130 PHE B CD1 
1792 C CD2 . PHE B 116 ? 0.2538 0.1754 0.1283 0.0159  0.0196  -0.0006 130 PHE B CD2 
1793 C CE1 . PHE B 116 ? 0.2419 0.1615 0.1203 0.0316  0.0061  -0.0146 130 PHE B CE1 
1794 C CE2 . PHE B 116 ? 0.2435 0.1654 0.1250 0.0111  0.0161  -0.0060 130 PHE B CE2 
1795 C CZ  . PHE B 116 ? 0.2337 0.1534 0.1130 0.0226  0.0082  -0.0189 130 PHE B CZ  
1796 N N   . THR B 117 ? 0.2917 0.1771 0.0875 -0.0211 0.0123  0.0139  131 THR B N   
1797 C CA  . THR B 117 ? 0.3163 0.1873 0.1167 -0.0450 0.0131  0.0023  131 THR B CA  
1798 C C   . THR B 117 ? 0.3162 0.2106 0.1303 -0.0388 0.0190  0.0024  131 THR B C   
1799 O O   . THR B 117 ? 0.3204 0.1961 0.1351 -0.0392 -0.0045 0.0241  131 THR B O   
1800 C CB  . THR B 117 ? 0.3614 0.2024 0.2144 -0.0402 -0.0145 0.0043  131 THR B CB  
1801 O OG1 . THR B 117 ? 0.3792 0.2155 0.2786 -0.0176 -0.0208 0.0233  131 THR B OG1 
1802 C CG2 . THR B 117 ? 0.4057 0.2083 0.2444 -0.0438 -0.0145 -0.0032 131 THR B CG2 
1803 N N   . LYS B 118 ? 0.3295 0.2618 0.1191 -0.0373 -0.0007 -0.0026 132 LYS B N   
1804 C CA  . LYS B 118 ? 0.3673 0.2885 0.1548 -0.0310 -0.0028 -0.0045 132 LYS B CA  
1805 C C   . LYS B 118 ? 0.4229 0.2936 0.1568 -0.0557 0.0188  0.0271  132 LYS B C   
1806 O O   . LYS B 118 ? 0.4166 0.3034 0.1583 -0.0615 0.0121  0.0217  132 LYS B O   
1807 C CB  . LYS B 118 ? 0.3619 0.3032 0.1637 -0.0131 -0.0082 -0.0118 132 LYS B CB  
1808 C CG  . LYS B 118 ? 0.3953 0.3260 0.2156 0.0124  0.0117  -0.0101 132 LYS B CG  
1809 C CD  . LYS B 118 ? 0.4198 0.3341 0.2593 0.0334  0.0159  -0.0103 132 LYS B CD  
1810 C CE  . LYS B 118 ? 0.4525 0.3541 0.3392 0.0470  0.0756  -0.0352 132 LYS B CE  
1811 N NZ  . LYS B 118 ? 0.4700 0.3707 0.3992 0.0541  0.1269  -0.0534 132 LYS B NZ  
1812 N N   . VAL B 119 ? 0.4659 0.2836 0.2047 -0.0536 0.0332  0.1013  133 VAL B N   
1813 C CA  . VAL B 119 ? 0.4927 0.3136 0.3156 -0.0551 0.0417  0.0853  133 VAL B CA  
1814 C C   . VAL B 119 ? 0.5358 0.3402 0.3919 -0.0527 0.0277  0.0601  133 VAL B C   
1815 O O   . VAL B 119 ? 0.5668 0.3512 0.4194 -0.0518 0.0356  0.0466  133 VAL B O   
1816 C CB  . VAL B 119 ? 0.4940 0.3330 0.3760 -0.0413 0.0650  0.0785  133 VAL B CB  
1817 C CG1 . VAL B 119 ? 0.4886 0.3324 0.3772 -0.0395 0.0725  0.0855  133 VAL B CG1 
1818 C CG2 . VAL B 119 ? 0.5117 0.3430 0.4175 -0.0376 0.0748  0.0772  133 VAL B CG2 
1819 N N   . LYS B 120 ? 0.5619 0.3700 0.4744 -0.0501 0.0248  0.0395  134 LYS B N   
1820 C CA  . LYS B 120 ? 0.5890 0.3980 0.5231 -0.0503 0.0237  0.0379  134 LYS B CA  
1821 C C   . LYS B 120 ? 0.6079 0.4044 0.5599 -0.0594 0.0333  0.0429  134 LYS B C   
1822 O O   . LYS B 120 ? 0.6231 0.4118 0.6027 -0.0605 0.0410  0.0406  134 LYS B O   
1823 C CB  . LYS B 120 ? 0.6028 0.4111 0.5553 -0.0438 0.0233  0.0460  134 LYS B CB  
1824 C CG  . LYS B 120 ? 0.6213 0.4241 0.5805 -0.0440 0.0348  0.0575  134 LYS B CG  
1825 C CD  . LYS B 120 ? 0.6341 0.4309 0.5827 -0.0445 0.0467  0.0696  134 LYS B CD  
1826 C CE  . LYS B 120 ? 0.6406 0.4331 0.5847 -0.0481 0.0508  0.0776  134 LYS B CE  
1827 N NZ  . LYS B 120 ? 0.6410 0.4333 0.5830 -0.0481 0.0445  0.0815  134 LYS B NZ  
1828 N N   . GLY C 2   ? 0.4304 0.3593 0.3900 -0.0411 0.0298  -0.0005 16  GLY C N   
1829 C CA  . GLY C 2   ? 0.4079 0.3365 0.3395 -0.0638 0.0317  0.0036  16  GLY C CA  
1830 C C   . GLY C 2   ? 0.3804 0.3106 0.2856 -0.0849 0.0209  -0.0123 16  GLY C C   
1831 O O   . GLY C 2   ? 0.3857 0.3085 0.2777 -0.1110 0.0354  -0.0150 16  GLY C O   
1832 N N   . ILE C 3   ? 0.3589 0.2891 0.2345 -0.0725 0.0274  -0.0175 17  ILE C N   
1833 C CA  . ILE C 3   ? 0.3457 0.2595 0.2236 -0.0633 0.0377  -0.0062 17  ILE C CA  
1834 C C   . ILE C 3   ? 0.3362 0.2455 0.2066 -0.0911 0.0415  -0.0183 17  ILE C C   
1835 O O   . ILE C 3   ? 0.3367 0.2484 0.2134 -0.0946 0.0279  -0.0329 17  ILE C O   
1836 C CB  . ILE C 3   ? 0.3343 0.2503 0.2103 -0.0239 0.0341  0.0032  17  ILE C CB  
1837 C CG1 . ILE C 3   ? 0.3331 0.2595 0.2382 0.0055  0.0200  0.0137  17  ILE C CG1 
1838 C CG2 . ILE C 3   ? 0.3067 0.2374 0.2137 -0.0239 0.0325  -0.0161 17  ILE C CG2 
1839 C CD1 . ILE C 3   ? 0.3192 0.2579 0.2397 0.0182  -0.0097 0.0115  17  ILE C CD1 
1840 N N   . THR C 4   ? 0.3426 0.2353 0.2252 -0.1006 0.0243  -0.0214 18  THR C N   
1841 C CA  . THR C 4   ? 0.3752 0.2275 0.2167 -0.1006 0.0091  -0.0153 18  THR C CA  
1842 C C   . THR C 4   ? 0.4010 0.2211 0.2266 -0.0946 0.0240  0.0005  18  THR C C   
1843 O O   . THR C 4   ? 0.4083 0.2372 0.2554 -0.0833 0.0391  0.0012  18  THR C O   
1844 C CB  . THR C 4   ? 0.3882 0.2357 0.2277 -0.1072 0.0199  -0.0137 18  THR C CB  
1845 O OG1 . THR C 4   ? 0.3844 0.2509 0.2134 -0.1111 0.0317  -0.0042 18  THR C OG1 
1846 C CG2 . THR C 4   ? 0.3974 0.2317 0.2296 -0.1059 0.0022  -0.0272 18  THR C CG2 
1847 N N   . GLY C 5   ? 0.3927 0.2055 0.2040 -0.1033 0.0210  0.0009  19  GLY C N   
1848 C CA  . GLY C 5   ? 0.4027 0.2071 0.2060 -0.0851 0.0241  0.0059  19  GLY C CA  
1849 C C   . GLY C 5   ? 0.4012 0.1982 0.1902 -0.0776 0.0199  0.0012  19  GLY C C   
1850 O O   . GLY C 5   ? 0.4023 0.2006 0.1969 -0.0848 0.0417  -0.0056 19  GLY C O   
1851 N N   . THR C 6   ? 0.4068 0.1876 0.1913 -0.0591 0.0293  -0.0076 20  THR C N   
1852 C CA  . THR C 6   ? 0.4046 0.1868 0.2017 -0.0548 0.0202  0.0113  20  THR C CA  
1853 C C   . THR C 6   ? 0.4012 0.1782 0.1943 -0.0650 0.0265  0.0166  20  THR C C   
1854 O O   . THR C 6   ? 0.3848 0.1967 0.1972 -0.0707 0.0461  0.0190  20  THR C O   
1855 C CB  . THR C 6   ? 0.4240 0.2027 0.2438 -0.0443 0.0179  -0.0043 20  THR C CB  
1856 O OG1 . THR C 6   ? 0.4464 0.2011 0.2649 -0.0413 0.0255  -0.0134 20  THR C OG1 
1857 C CG2 . THR C 6   ? 0.4202 0.2083 0.2578 -0.0421 0.0172  0.0036  20  THR C CG2 
1858 N N   . TRP C 7   ? 0.4080 0.1583 0.1823 -0.0621 0.0006  -0.0075 21  TRP C N   
1859 C CA  . TRP C 7   ? 0.3932 0.1667 0.1714 -0.0558 -0.0079 0.0124  21  TRP C CA  
1860 C C   . TRP C 7   ? 0.3868 0.1645 0.1821 -0.0496 0.0174  0.0022  21  TRP C C   
1861 O O   . TRP C 7   ? 0.3778 0.1729 0.2020 -0.0533 0.0226  -0.0011 21  TRP C O   
1862 C CB  . TRP C 7   ? 0.3857 0.1746 0.1923 -0.0560 -0.0201 0.0103  21  TRP C CB  
1863 C CG  . TRP C 7   ? 0.3707 0.1729 0.1927 -0.0704 0.0002  0.0187  21  TRP C CG  
1864 C CD1 . TRP C 7   ? 0.3673 0.1850 0.2112 -0.0659 0.0018  0.0120  21  TRP C CD1 
1865 C CD2 . TRP C 7   ? 0.3642 0.1712 0.1935 -0.0753 0.0055  -0.0003 21  TRP C CD2 
1866 N NE1 . TRP C 7   ? 0.3668 0.1937 0.2052 -0.0653 0.0229  0.0165  21  TRP C NE1 
1867 C CE2 . TRP C 7   ? 0.3643 0.1838 0.1990 -0.0773 0.0246  -0.0016 21  TRP C CE2 
1868 C CE3 . TRP C 7   ? 0.3686 0.1879 0.2193 -0.0635 0.0059  -0.0100 21  TRP C CE3 
1869 C CZ2 . TRP C 7   ? 0.3729 0.1880 0.1945 -0.0644 0.0181  -0.0098 21  TRP C CZ2 
1870 C CZ3 . TRP C 7   ? 0.3775 0.1999 0.2131 -0.0532 0.0103  -0.0188 21  TRP C CZ3 
1871 C CH2 . TRP C 7   ? 0.3803 0.2024 0.2170 -0.0486 0.0112  -0.0293 21  TRP C CH2 
1872 N N   . TYR C 8   ? 0.3739 0.1572 0.1670 -0.0381 0.0002  0.0090  22  TYR C N   
1873 C CA  . TYR C 8   ? 0.3703 0.1519 0.1647 -0.0478 -0.0042 0.0332  22  TYR C CA  
1874 C C   . TYR C 8   ? 0.3544 0.1594 0.1770 -0.0422 0.0098  0.0278  22  TYR C C   
1875 O O   . TYR C 8   ? 0.3353 0.1682 0.1561 -0.0391 0.0264  0.0349  22  TYR C O   
1876 C CB  . TYR C 8   ? 0.3840 0.1623 0.2075 -0.0399 0.0010  0.0386  22  TYR C CB  
1877 C CG  . TYR C 8   ? 0.3988 0.1728 0.2246 -0.0438 -0.0010 0.0235  22  TYR C CG  
1878 C CD1 . TYR C 8   ? 0.4084 0.1911 0.2416 -0.0373 -0.0163 0.0327  22  TYR C CD1 
1879 C CD2 . TYR C 8   ? 0.4085 0.1746 0.2494 -0.0602 0.0223  0.0184  22  TYR C CD2 
1880 C CE1 . TYR C 8   ? 0.4195 0.1915 0.2606 -0.0577 -0.0271 0.0271  22  TYR C CE1 
1881 C CE2 . TYR C 8   ? 0.4269 0.1807 0.2773 -0.0748 0.0007  0.0192  22  TYR C CE2 
1882 C CZ  . TYR C 8   ? 0.4388 0.1814 0.2905 -0.0689 -0.0084 0.0168  22  TYR C CZ  
1883 O OH  . TYR C 8   ? 0.4704 0.1783 0.3135 -0.0588 -0.0071 0.0110  22  TYR C OH  
1884 N N   . ASN C 9   ? 0.3517 0.1607 0.1893 -0.0436 -0.0030 0.0226  23  ASN C N   
1885 C CA  . ASN C 9   ? 0.3760 0.1581 0.1860 -0.0428 0.0083  0.0339  23  ASN C CA  
1886 C C   . ASN C 9   ? 0.3993 0.1790 0.1967 -0.0248 0.0049  0.0308  23  ASN C C   
1887 O O   . ASN C 9   ? 0.4164 0.1792 0.1711 -0.0088 0.0048  0.0248  23  ASN C O   
1888 C CB  . ASN C 9   ? 0.3813 0.1445 0.1960 -0.0389 0.0203  0.0305  23  ASN C CB  
1889 C CG  . ASN C 9   ? 0.3830 0.1371 0.1975 -0.0386 0.0236  0.0163  23  ASN C CG  
1890 O OD1 . ASN C 9   ? 0.3774 0.1719 0.1876 -0.0322 0.0022  0.0251  23  ASN C OD1 
1891 N ND2 . ASN C 9   ? 0.3933 0.1292 0.2358 -0.0314 0.0394  0.0240  23  ASN C ND2 
1892 N N   . GLN C 10  ? 0.4028 0.1969 0.1740 -0.0326 0.0088  0.0332  24  GLN C N   
1893 C CA  . GLN C 10  ? 0.4302 0.2159 0.1966 -0.0171 -0.0009 0.0265  24  GLN C CA  
1894 C C   . GLN C 10  ? 0.4590 0.2448 0.1927 0.0194  -0.0154 0.0295  24  GLN C C   
1895 O O   . GLN C 10  ? 0.4895 0.2681 0.1994 0.0390  -0.0338 0.0446  24  GLN C O   
1896 C CB  . GLN C 10  ? 0.4201 0.2049 0.2056 -0.0498 -0.0161 0.0276  24  GLN C CB  
1897 C CG  . GLN C 10  ? 0.4131 0.2163 0.2327 -0.0629 -0.0097 0.0523  24  GLN C CG  
1898 C CD  . GLN C 10  ? 0.4147 0.2221 0.2635 -0.0538 -0.0201 0.0638  24  GLN C CD  
1899 O OE1 . GLN C 10  ? 0.4209 0.2151 0.2461 -0.0469 -0.0483 0.0472  24  GLN C OE1 
1900 N NE2 . GLN C 10  ? 0.4149 0.2362 0.2617 -0.0391 -0.0036 0.1057  24  GLN C NE2 
1901 N N   . LEU C 11  ? 0.4517 0.2560 0.2123 0.0185  -0.0317 -0.0144 25  LEU C N   
1902 C CA  . LEU C 11  ? 0.4631 0.2637 0.2453 0.0237  -0.0215 -0.0209 25  LEU C CA  
1903 C C   . LEU C 11  ? 0.4994 0.2652 0.2525 0.0333  -0.0155 -0.0144 25  LEU C C   
1904 O O   . LEU C 11  ? 0.5205 0.2918 0.3029 0.0439  -0.0170 -0.0252 25  LEU C O   
1905 C CB  . LEU C 11  ? 0.4559 0.2710 0.2824 0.0108  -0.0071 -0.0137 25  LEU C CB  
1906 C CG  . LEU C 11  ? 0.4713 0.2825 0.3104 -0.0017 -0.0138 -0.0056 25  LEU C CG  
1907 C CD1 . LEU C 11  ? 0.4596 0.2878 0.3151 -0.0241 0.0016  0.0115  25  LEU C CD1 
1908 C CD2 . LEU C 11  ? 0.4858 0.2859 0.3072 -0.0022 -0.0278 -0.0077 25  LEU C CD2 
1909 N N   . GLY C 12  ? 0.5154 0.2304 0.2112 0.0312  -0.0077 0.0036  26  GLY C N   
1910 C CA  . GLY C 12  ? 0.5214 0.2033 0.2161 0.0259  0.0172  0.0056  26  GLY C CA  
1911 C C   . GLY C 12  ? 0.5114 0.1932 0.2219 0.0177  0.0054  0.0237  26  GLY C C   
1912 O O   . GLY C 12  ? 0.5402 0.2023 0.2428 0.0235  -0.0177 0.0287  26  GLY C O   
1913 N N   . SER C 13  ? 0.4787 0.1959 0.2183 0.0024  0.0083  0.0264  27  SER C N   
1914 C CA  . SER C 13  ? 0.4725 0.2052 0.2046 -0.0203 -0.0004 0.0222  27  SER C CA  
1915 C C   . SER C 13  ? 0.4465 0.2221 0.2084 -0.0163 0.0079  0.0132  27  SER C C   
1916 O O   . SER C 13  ? 0.4724 0.2554 0.2194 -0.0174 0.0022  -0.0195 27  SER C O   
1917 C CB  . SER C 13  ? 0.4996 0.2033 0.2281 -0.0400 -0.0202 0.0081  27  SER C CB  
1918 O OG  . SER C 13  ? 0.5150 0.2181 0.2640 -0.0328 -0.0287 -0.0004 27  SER C OG  
1919 N N   . THR C 14  ? 0.3993 0.2033 0.1783 0.0022  0.0065  0.0213  28  THR C N   
1920 C CA  . THR C 14  ? 0.3980 0.1862 0.1978 0.0073  0.0084  0.0085  28  THR C CA  
1921 C C   . THR C 14  ? 0.3798 0.1871 0.1782 -0.0038 0.0125  0.0137  28  THR C C   
1922 O O   . THR C 14  ? 0.3696 0.2023 0.1768 -0.0038 0.0138  0.0126  28  THR C O   
1923 C CB  . THR C 14  ? 0.4067 0.1888 0.2262 0.0038  -0.0160 0.0119  28  THR C CB  
1924 O OG1 . THR C 14  ? 0.4206 0.2025 0.2467 0.0192  -0.0276 0.0234  28  THR C OG1 
1925 C CG2 . THR C 14  ? 0.4103 0.2047 0.2608 -0.0129 -0.0167 0.0130  28  THR C CG2 
1926 N N   . PHE C 15  ? 0.3658 0.1645 0.1550 -0.0095 0.0177  0.0242  29  PHE C N   
1927 C CA  . PHE C 15  ? 0.3641 0.1808 0.1763 -0.0146 0.0371  0.0075  29  PHE C CA  
1928 C C   . PHE C 15  ? 0.3674 0.1719 0.1920 -0.0173 0.0342  0.0061  29  PHE C C   
1929 O O   . PHE C 15  ? 0.3632 0.1807 0.2059 -0.0367 0.0112  -0.0037 29  PHE C O   
1930 C CB  . PHE C 15  ? 0.3578 0.1834 0.1653 -0.0199 0.0214  0.0029  29  PHE C CB  
1931 C CG  . PHE C 15  ? 0.3276 0.1751 0.1849 -0.0333 0.0245  0.0053  29  PHE C CG  
1932 C CD1 . PHE C 15  ? 0.3259 0.1853 0.1735 -0.0112 0.0163  0.0111  29  PHE C CD1 
1933 C CD2 . PHE C 15  ? 0.3054 0.1781 0.1876 -0.0401 0.0259  0.0165  29  PHE C CD2 
1934 C CE1 . PHE C 15  ? 0.3108 0.1859 0.1785 -0.0208 0.0233  -0.0055 29  PHE C CE1 
1935 C CE2 . PHE C 15  ? 0.3064 0.1920 0.1963 -0.0247 0.0200  0.0051  29  PHE C CE2 
1936 C CZ  . PHE C 15  ? 0.2987 0.1853 0.1728 -0.0275 0.0202  0.0007  29  PHE C CZ  
1937 N N   . ILE C 16  ? 0.3575 0.1694 0.1899 -0.0195 0.0224  0.0124  30  ILE C N   
1938 C CA  . ILE C 16  ? 0.3570 0.1798 0.2013 -0.0035 0.0009  0.0032  30  ILE C CA  
1939 C C   . ILE C 16  ? 0.3458 0.1998 0.1580 -0.0067 0.0111  0.0143  30  ILE C C   
1940 O O   . ILE C 16  ? 0.3416 0.2309 0.1826 0.0137  0.0235  0.0266  30  ILE C O   
1941 C CB  . ILE C 16  ? 0.3652 0.1920 0.2466 0.0049  -0.0437 0.0004  30  ILE C CB  
1942 C CG1 . ILE C 16  ? 0.3870 0.1852 0.2771 0.0199  -0.0555 0.0298  30  ILE C CG1 
1943 C CG2 . ILE C 16  ? 0.3623 0.1972 0.2729 -0.0029 -0.0403 -0.0137 30  ILE C CG2 
1944 C CD1 . ILE C 16  ? 0.4056 0.1828 0.3057 0.0124  -0.0646 0.0271  30  ILE C CD1 
1945 N N   . VAL C 17  ? 0.3399 0.1951 0.1540 -0.0372 0.0069  0.0136  31  VAL C N   
1946 C CA  . VAL C 17  ? 0.3416 0.1928 0.1614 -0.0482 0.0146  0.0024  31  VAL C CA  
1947 C C   . VAL C 17  ? 0.3414 0.1963 0.1797 -0.0543 0.0286  0.0005  31  VAL C C   
1948 O O   . VAL C 17  ? 0.3516 0.1936 0.1911 -0.0742 0.0277  -0.0114 31  VAL C O   
1949 C CB  . VAL C 17  ? 0.3648 0.1845 0.1717 -0.0420 -0.0019 -0.0009 31  VAL C CB  
1950 C CG1 . VAL C 17  ? 0.3623 0.1992 0.1981 -0.0350 -0.0041 0.0101  31  VAL C CG1 
1951 C CG2 . VAL C 17  ? 0.3796 0.1833 0.1728 -0.0392 -0.0379 0.0019  31  VAL C CG2 
1952 N N   . THR C 18  ? 0.3468 0.1942 0.1820 -0.0395 -0.0010 -0.0253 32  THR C N   
1953 C CA  . THR C 18  ? 0.3538 0.1943 0.1904 -0.0355 -0.0125 -0.0171 32  THR C CA  
1954 C C   . THR C 18  ? 0.3244 0.2027 0.1662 -0.0438 -0.0015 -0.0125 32  THR C C   
1955 O O   . THR C 18  ? 0.3065 0.2191 0.1636 -0.0404 0.0021  -0.0007 32  THR C O   
1956 C CB  . THR C 18  ? 0.3728 0.2102 0.2501 -0.0300 -0.0281 -0.0318 32  THR C CB  
1957 O OG1 . THR C 18  ? 0.3897 0.2121 0.2893 -0.0116 0.0221  -0.0267 32  THR C OG1 
1958 C CG2 . THR C 18  ? 0.3784 0.2329 0.2838 -0.0330 -0.0523 -0.0278 32  THR C CG2 
1959 N N   . ALA C 19  ? 0.3238 0.2120 0.1921 -0.0667 -0.0108 -0.0158 33  ALA C N   
1960 C CA  . ALA C 19  ? 0.3258 0.2247 0.1884 -0.0591 0.0115  -0.0287 33  ALA C CA  
1961 C C   . ALA C 19  ? 0.3375 0.2314 0.1961 -0.0888 -0.0132 -0.0185 33  ALA C C   
1962 O O   . ALA C 19  ? 0.3406 0.2438 0.2350 -0.0969 -0.0234 0.0150  33  ALA C O   
1963 C CB  . ALA C 19  ? 0.3278 0.2318 0.1888 -0.0409 0.0319  -0.0294 33  ALA C CB  
1964 N N   . GLY C 20  ? 0.3395 0.2325 0.1766 -0.0750 0.0062  -0.0533 34  GLY C N   
1965 C CA  . GLY C 20  ? 0.3531 0.2298 0.2054 -0.0855 -0.0244 -0.0609 34  GLY C CA  
1966 C C   . GLY C 20  ? 0.3543 0.2398 0.2316 -0.0746 -0.0468 -0.0605 34  GLY C C   
1967 O O   . GLY C 20  ? 0.3499 0.2358 0.2521 -0.0595 -0.0215 -0.0644 34  GLY C O   
1968 N N   . ALA C 21  ? 0.3762 0.2571 0.2439 -0.0608 -0.0944 -0.0483 35  ALA C N   
1969 C CA  . ALA C 21  ? 0.4048 0.2743 0.2851 -0.0555 -0.1121 -0.0371 35  ALA C CA  
1970 C C   . ALA C 21  ? 0.4167 0.2852 0.2943 -0.0429 -0.1106 -0.0239 35  ALA C C   
1971 O O   . ALA C 21  ? 0.4411 0.2864 0.3006 -0.0079 -0.1027 -0.0333 35  ALA C O   
1972 C CB  . ALA C 21  ? 0.4187 0.2840 0.2934 -0.0498 -0.1320 -0.0381 35  ALA C CB  
1973 N N   . ASP C 22  ? 0.3906 0.2833 0.2756 -0.0667 -0.0970 -0.0168 36  ASP C N   
1974 C CA  . ASP C 22  ? 0.4116 0.2734 0.2755 -0.0779 -0.0699 -0.0270 36  ASP C CA  
1975 C C   . ASP C 22  ? 0.3998 0.2634 0.2418 -0.0840 -0.0619 -0.0186 36  ASP C C   
1976 O O   . ASP C 22  ? 0.4241 0.2638 0.2315 -0.0921 -0.0696 -0.0085 36  ASP C O   
1977 C CB  . ASP C 22  ? 0.4416 0.2912 0.3195 -0.0861 -0.0591 -0.0319 36  ASP C CB  
1978 C CG  . ASP C 22  ? 0.4743 0.3119 0.3557 -0.0828 -0.0239 -0.0340 36  ASP C CG  
1979 O OD1 . ASP C 22  ? 0.4749 0.3055 0.3397 -0.0766 -0.0330 -0.0364 36  ASP C OD1 
1980 O OD2 . ASP C 22  ? 0.4955 0.3337 0.3950 -0.0861 -0.0072 -0.0308 36  ASP C OD2 
1981 N N   . GLY C 23  ? 0.3492 0.2536 0.2068 -0.0806 -0.0447 -0.0167 37  GLY C N   
1982 C CA  . GLY C 23  ? 0.3148 0.2479 0.1935 -0.0621 0.0117  -0.0406 37  GLY C CA  
1983 C C   . GLY C 23  ? 0.2695 0.2283 0.1397 -0.0621 0.0235  -0.0482 37  GLY C C   
1984 O O   . GLY C 23  ? 0.2495 0.2460 0.1605 -0.0519 0.0189  -0.0668 37  GLY C O   
1985 N N   . ALA C 24  ? 0.2730 0.2171 0.1654 -0.0550 0.0337  -0.0385 38  ALA C N   
1986 C CA  . ALA C 24  ? 0.2668 0.1977 0.1696 -0.0289 0.0487  -0.0433 38  ALA C CA  
1987 C C   . ALA C 24  ? 0.2527 0.1801 0.1681 -0.0471 0.0177  -0.0328 38  ALA C C   
1988 O O   . ALA C 24  ? 0.2527 0.1823 0.2103 -0.0544 0.0051  -0.0208 38  ALA C O   
1989 C CB  . ALA C 24  ? 0.3039 0.2262 0.1888 0.0012  0.0582  -0.0386 38  ALA C CB  
1990 N N   . LEU C 25  ? 0.2510 0.1721 0.1556 -0.0251 0.0193  -0.0268 39  LEU C N   
1991 C CA  . LEU C 25  ? 0.2655 0.1674 0.1446 -0.0186 0.0310  -0.0328 39  LEU C CA  
1992 C C   . LEU C 25  ? 0.2672 0.1562 0.1575 -0.0121 0.0139  -0.0374 39  LEU C C   
1993 O O   . LEU C 25  ? 0.2590 0.1725 0.1708 -0.0120 0.0323  -0.0428 39  LEU C O   
1994 C CB  . LEU C 25  ? 0.2628 0.1603 0.1510 -0.0235 0.0138  -0.0501 39  LEU C CB  
1995 C CG  . LEU C 25  ? 0.2745 0.1540 0.1519 -0.0217 0.0305  -0.0504 39  LEU C CG  
1996 C CD1 . LEU C 25  ? 0.2846 0.1606 0.1614 -0.0250 0.0144  -0.0455 39  LEU C CD1 
1997 C CD2 . LEU C 25  ? 0.2839 0.1677 0.1542 -0.0392 0.0152  -0.0387 39  LEU C CD2 
1998 N N   . THR C 26  ? 0.2861 0.1467 0.1471 -0.0022 -0.0083 -0.0327 40  THR C N   
1999 C CA  . THR C 26  ? 0.3063 0.1528 0.1640 -0.0180 0.0008  -0.0356 40  THR C CA  
2000 C C   . THR C 26  ? 0.3000 0.1735 0.1814 -0.0257 0.0019  -0.0167 40  THR C C   
2001 O O   . THR C 26  ? 0.2970 0.2190 0.2170 -0.0276 -0.0006 0.0149  40  THR C O   
2002 C CB  . THR C 26  ? 0.3357 0.1419 0.1769 -0.0331 -0.0069 -0.0261 40  THR C CB  
2003 O OG1 . THR C 26  ? 0.3458 0.1719 0.2338 -0.0467 -0.0139 -0.0299 40  THR C OG1 
2004 C CG2 . THR C 26  ? 0.3581 0.1460 0.1682 -0.0251 -0.0008 -0.0120 40  THR C CG2 
2005 N N   . GLY C 27  ? 0.2977 0.1668 0.1885 -0.0144 0.0129  -0.0107 41  GLY C N   
2006 C CA  . GLY C 27  ? 0.3294 0.1539 0.2058 -0.0026 0.0180  -0.0118 41  GLY C CA  
2007 C C   . GLY C 27  ? 0.3398 0.1432 0.1822 -0.0018 0.0196  -0.0260 41  GLY C C   
2008 O O   . GLY C 27  ? 0.3419 0.1425 0.1781 -0.0085 0.0091  -0.0231 41  GLY C O   
2009 N N   . THR C 28  ? 0.3565 0.1524 0.1825 0.0078  0.0147  -0.0238 42  THR C N   
2010 C CA  . THR C 28  ? 0.3709 0.1587 0.1940 0.0263  0.0394  -0.0170 42  THR C CA  
2011 C C   . THR C 28  ? 0.3512 0.1609 0.1985 0.0133  0.0332  0.0079  42  THR C C   
2012 O O   . THR C 28  ? 0.3347 0.1730 0.2108 0.0090  0.0167  0.0045  42  THR C O   
2013 C CB  . THR C 28  ? 0.4004 0.1691 0.2238 0.0474  0.0432  -0.0187 42  THR C CB  
2014 O OG1 . THR C 28  ? 0.4287 0.1836 0.2642 0.0523  0.0181  -0.0044 42  THR C OG1 
2015 C CG2 . THR C 28  ? 0.3928 0.1716 0.2339 0.0651  0.0316  -0.0381 42  THR C CG2 
2016 N N   . TYR C 29  ? 0.3456 0.1507 0.1905 0.0173  0.0233  0.0087  43  TYR C N   
2017 C CA  . TYR C 29  ? 0.3391 0.1451 0.1730 0.0064  0.0031  -0.0001 43  TYR C CA  
2018 C C   . TYR C 29  ? 0.3442 0.1677 0.1774 0.0065  0.0101  -0.0086 43  TYR C C   
2019 O O   . TYR C 29  ? 0.3392 0.1785 0.1901 0.0221  0.0165  0.0089  43  TYR C O   
2020 C CB  . TYR C 29  ? 0.3507 0.1371 0.1836 -0.0002 0.0127  0.0023  43  TYR C CB  
2021 C CG  . TYR C 29  ? 0.3636 0.1258 0.1741 -0.0036 0.0255  0.0108  43  TYR C CG  
2022 C CD1 . TYR C 29  ? 0.3811 0.1183 0.1576 -0.0193 0.0159  0.0010  43  TYR C CD1 
2023 C CD2 . TYR C 29  ? 0.3603 0.1285 0.1892 -0.0022 0.0365  0.0088  43  TYR C CD2 
2024 C CE1 . TYR C 29  ? 0.3976 0.1325 0.1973 -0.0162 0.0476  0.0109  43  TYR C CE1 
2025 C CE2 . TYR C 29  ? 0.3768 0.1378 0.1800 -0.0013 0.0403  0.0047  43  TYR C CE2 
2026 C CZ  . TYR C 29  ? 0.3850 0.1364 0.1833 0.0000  0.0608  0.0090  43  TYR C CZ  
2027 O OH  . TYR C 29  ? 0.3754 0.1450 0.1829 -0.0035 0.0395  0.0177  43  TYR C OH  
2028 N N   . GLU C 30  ? 0.3550 0.1857 0.1813 -0.0009 0.0089  -0.0008 44  GLU C N   
2029 C CA  . GLU C 30  ? 0.3640 0.2161 0.2161 0.0022  -0.0122 -0.0033 44  GLU C CA  
2030 C C   . GLU C 30  ? 0.3767 0.2493 0.2355 -0.0038 -0.0081 -0.0169 44  GLU C C   
2031 O O   . GLU C 30  ? 0.3550 0.2436 0.2291 -0.0112 0.0092  -0.0189 44  GLU C O   
2032 C CB  . GLU C 30  ? 0.3714 0.2181 0.2766 0.0184  -0.0557 0.0125  44  GLU C CB  
2033 C CG  A GLU C 30  ? 0.3783 0.2043 0.2792 0.0247  -0.0423 0.0424  44  GLU C CG  
2034 C CG  B GLU C 30  ? 0.3529 0.2283 0.2925 0.0249  -0.0994 0.0084  44  GLU C CG  
2035 C CD  A GLU C 30  ? 0.3845 0.1892 0.2962 0.0325  -0.0430 0.0572  44  GLU C CD  
2036 C CD  B GLU C 30  ? 0.3471 0.2447 0.3308 0.0300  -0.1238 -0.0031 44  GLU C CD  
2037 O OE1 A GLU C 30  ? 0.4288 0.1958 0.3292 0.0286  -0.0447 0.0519  44  GLU C OE1 
2038 O OE1 B GLU C 30  ? 0.3421 0.2494 0.3535 0.0379  -0.1189 -0.0072 44  GLU C OE1 
2039 O OE2 A GLU C 30  ? 0.3433 0.1675 0.2716 0.0259  -0.0564 0.0701  44  GLU C OE2 
2040 O OE2 B GLU C 30  ? 0.3599 0.2588 0.3552 0.0327  -0.1413 -0.0017 44  GLU C OE2 
2041 N N   . SER C 31  ? 0.4111 0.2800 0.2705 -0.0029 -0.0026 -0.0233 45  SER C N   
2042 C CA  . SER C 31  ? 0.4512 0.3084 0.2988 -0.0087 -0.0383 -0.0037 45  SER C CA  
2043 C C   . SER C 31  ? 0.4904 0.3446 0.3226 -0.0179 -0.0312 -0.0010 45  SER C C   
2044 O O   . SER C 31  ? 0.5054 0.3584 0.3414 -0.0087 -0.0358 0.0209  45  SER C O   
2045 C CB  . SER C 31  ? 0.4557 0.3013 0.3027 -0.0040 -0.0546 -0.0029 45  SER C CB  
2046 O OG  . SER C 31  ? 0.4668 0.3078 0.3278 -0.0085 -0.0574 0.0036  45  SER C OG  
2047 N N   . ALA C 32  ? 0.5212 0.3740 0.3432 -0.0274 -0.0238 0.0044  46  ALA C N   
2048 C CA  . ALA C 32  ? 0.5354 0.3963 0.3695 -0.0381 -0.0264 0.0033  46  ALA C CA  
2049 C C   . ALA C 32  ? 0.5506 0.4119 0.3860 -0.0241 -0.0539 0.0149  46  ALA C C   
2050 O O   . ALA C 32  ? 0.5752 0.4216 0.4000 -0.0163 -0.0716 0.0422  46  ALA C O   
2051 C CB  . ALA C 32  ? 0.5448 0.4056 0.3876 -0.0519 -0.0014 -0.0048 46  ALA C CB  
2052 N N   . VAL C 33  ? 0.5412 0.4103 0.3807 -0.0180 -0.0520 0.0132  47  VAL C N   
2053 C CA  . VAL C 33  ? 0.5227 0.4169 0.4099 -0.0146 -0.0553 -0.0111 47  VAL C CA  
2054 C C   . VAL C 33  ? 0.5124 0.4240 0.3992 -0.0050 -0.0801 -0.0056 47  VAL C C   
2055 O O   . VAL C 33  ? 0.5087 0.4146 0.3945 -0.0052 -0.1065 0.0122  47  VAL C O   
2056 C CB  . VAL C 33  ? 0.5106 0.4165 0.4429 -0.0177 -0.0446 -0.0375 47  VAL C CB  
2057 C CG1 . VAL C 33  ? 0.5055 0.4197 0.4586 -0.0255 -0.0360 -0.0381 47  VAL C CG1 
2058 C CG2 . VAL C 33  ? 0.5041 0.4142 0.4527 -0.0158 -0.0387 -0.0522 47  VAL C CG2 
2059 N N   . GLY C 34  ? 0.5067 0.4425 0.4123 0.0028  -0.0812 -0.0148 48  GLY C N   
2060 C CA  . GLY C 34  ? 0.5155 0.4677 0.4296 0.0036  -0.0884 -0.0296 48  GLY C CA  
2061 C C   . GLY C 34  ? 0.5369 0.4944 0.4566 0.0042  -0.0976 -0.0379 48  GLY C C   
2062 O O   . GLY C 34  ? 0.5282 0.4958 0.4507 0.0066  -0.1128 -0.0449 48  GLY C O   
2063 N N   . ASN C 35  ? 0.5682 0.5170 0.4818 0.0053  -0.0871 -0.0370 49  ASN C N   
2064 C CA  . ASN C 35  ? 0.6058 0.5392 0.5204 0.0057  -0.0850 -0.0331 49  ASN C CA  
2065 C C   . ASN C 35  ? 0.6094 0.5322 0.5147 0.0114  -0.0912 -0.0439 49  ASN C C   
2066 O O   . ASN C 35  ? 0.6106 0.5341 0.5042 0.0115  -0.0964 -0.0384 49  ASN C O   
2067 C CB  . ASN C 35  ? 0.6336 0.5636 0.5636 0.0009  -0.0620 -0.0183 49  ASN C CB  
2068 C CG  . ASN C 35  ? 0.6727 0.5884 0.6060 0.0003  -0.0409 -0.0068 49  ASN C CG  
2069 O OD1 . ASN C 35  ? 0.6992 0.6080 0.6444 -0.0022 -0.0289 0.0024  49  ASN C OD1 
2070 N ND2 . ASN C 35  ? 0.6734 0.5960 0.6134 0.0068  -0.0347 -0.0117 49  ASN C ND2 
2071 N N   . ALA C 36  ? 0.6021 0.5215 0.4967 0.0237  -0.0986 -0.0451 50  ALA C N   
2072 C CA  . ALA C 36  ? 0.5914 0.5115 0.4631 0.0359  -0.1102 -0.0412 50  ALA C CA  
2073 C C   . ALA C 36  ? 0.5916 0.5010 0.4508 0.0557  -0.1109 -0.0361 50  ALA C C   
2074 O O   . ALA C 36  ? 0.5988 0.5060 0.4498 0.0669  -0.1166 -0.0279 50  ALA C O   
2075 C CB  . ALA C 36  ? 0.5819 0.5137 0.4526 0.0297  -0.1086 -0.0508 50  ALA C CB  
2076 N N   . GLU C 37  ? 0.5808 0.4810 0.4340 0.0694  -0.1128 -0.0247 51  GLU C N   
2077 C CA  . GLU C 37  ? 0.5767 0.4654 0.4360 0.0735  -0.1018 -0.0110 51  GLU C CA  
2078 C C   . GLU C 37  ? 0.5553 0.4271 0.3732 0.0806  -0.1116 0.0093  51  GLU C C   
2079 O O   . GLU C 37  ? 0.5622 0.4195 0.3487 0.0796  -0.1101 0.0125  51  GLU C O   
2080 C CB  . GLU C 37  ? 0.5915 0.4811 0.5010 0.0768  -0.0805 -0.0120 51  GLU C CB  
2081 C CG  . GLU C 37  ? 0.6060 0.4950 0.5606 0.0742  -0.0536 -0.0090 51  GLU C CG  
2082 C CD  . GLU C 37  ? 0.6181 0.5027 0.6060 0.0732  -0.0299 -0.0080 51  GLU C CD  
2083 O OE1 . GLU C 37  ? 0.6195 0.5071 0.6233 0.0707  -0.0188 -0.0062 51  GLU C OE1 
2084 O OE2 . GLU C 37  ? 0.6272 0.5043 0.6233 0.0744  -0.0295 -0.0056 51  GLU C OE2 
2085 N N   . SER C 38  ? 0.5264 0.3972 0.3396 0.0911  -0.1118 0.0287  52  SER C N   
2086 C CA  . SER C 38  ? 0.5163 0.3683 0.3517 0.1005  -0.0800 0.0417  52  SER C CA  
2087 C C   . SER C 38  ? 0.4956 0.3377 0.3321 0.1050  -0.0654 0.0571  52  SER C C   
2088 O O   . SER C 38  ? 0.5039 0.3341 0.3421 0.0891  -0.0563 0.0756  52  SER C O   
2089 C CB  . SER C 38  ? 0.5252 0.3811 0.3793 0.0931  -0.0643 0.0202  52  SER C CB  
2090 O OG  . SER C 38  ? 0.5344 0.3903 0.4012 0.0900  -0.0539 0.0040  52  SER C OG  
2091 N N   . ARG C 39  ? 0.4709 0.3053 0.2780 0.1061  -0.0309 0.0722  53  ARG C N   
2092 C CA  . ARG C 39  ? 0.4436 0.2729 0.2813 0.0929  0.0055  0.0401  53  ARG C CA  
2093 C C   . ARG C 39  ? 0.4091 0.2238 0.2445 0.1042  0.0471  0.0310  53  ARG C C   
2094 O O   . ARG C 39  ? 0.4315 0.2081 0.2662 0.1419  0.0694  0.0540  53  ARG C O   
2095 C CB  . ARG C 39  ? 0.4532 0.2717 0.3210 0.0553  0.0042  0.0383  53  ARG C CB  
2096 C CG  . ARG C 39  ? 0.4690 0.2935 0.3670 0.0223  0.0013  0.0244  53  ARG C CG  
2097 C CD  . ARG C 39  ? 0.4726 0.3054 0.3964 0.0082  -0.0063 0.0173  53  ARG C CD  
2098 N NE  . ARG C 39  ? 0.4734 0.3200 0.4259 0.0124  -0.0314 0.0179  53  ARG C NE  
2099 C CZ  . ARG C 39  ? 0.4694 0.3318 0.4514 0.0145  -0.0429 0.0109  53  ARG C CZ  
2100 N NH1 . ARG C 39  ? 0.4732 0.3394 0.4672 0.0140  -0.0362 -0.0009 53  ARG C NH1 
2101 N NH2 . ARG C 39  ? 0.4691 0.3364 0.4628 0.0172  -0.0596 0.0119  53  ARG C NH2 
2102 N N   . TYR C 40  ? 0.3603 0.1840 0.2077 0.0841  0.0296  0.0139  54  TYR C N   
2103 C CA  . TYR C 40  ? 0.3313 0.1613 0.1617 0.0589  0.0141  -0.0056 54  TYR C CA  
2104 C C   . TYR C 40  ? 0.3270 0.1595 0.1775 0.0385  0.0285  -0.0056 54  TYR C C   
2105 O O   . TYR C 40  ? 0.3257 0.1682 0.1802 0.0142  0.0437  0.0178  54  TYR C O   
2106 C CB  . TYR C 40  ? 0.3204 0.1555 0.1759 0.0514  0.0048  -0.0221 54  TYR C CB  
2107 C CG  . TYR C 40  ? 0.3368 0.1555 0.1640 0.0589  -0.0033 -0.0090 54  TYR C CG  
2108 C CD1 . TYR C 40  ? 0.3434 0.1509 0.1869 0.0710  -0.0108 0.0022  54  TYR C CD1 
2109 C CD2 . TYR C 40  ? 0.3413 0.1513 0.1817 0.0527  0.0116  -0.0111 54  TYR C CD2 
2110 C CE1 . TYR C 40  ? 0.3572 0.1622 0.2044 0.0717  -0.0322 -0.0017 54  TYR C CE1 
2111 C CE2 . TYR C 40  ? 0.3580 0.1560 0.1850 0.0665  -0.0090 -0.0139 54  TYR C CE2 
2112 C CZ  . TYR C 40  ? 0.3674 0.1761 0.2238 0.0726  -0.0390 -0.0073 54  TYR C CZ  
2113 O OH  . TYR C 40  ? 0.3866 0.2089 0.2646 0.0837  -0.0597 -0.0039 54  TYR C OH  
2114 N N   . VAL C 41  ? 0.3258 0.1519 0.1676 0.0447  0.0400  -0.0254 55  VAL C N   
2115 C CA  . VAL C 41  ? 0.3156 0.1404 0.1702 0.0349  0.0411  -0.0311 55  VAL C CA  
2116 C C   . VAL C 41  ? 0.2875 0.1181 0.1643 0.0266  0.0277  -0.0277 55  VAL C C   
2117 O O   . VAL C 41  ? 0.2615 0.1257 0.1692 0.0143  0.0091  -0.0242 55  VAL C O   
2118 C CB  . VAL C 41  ? 0.3171 0.1399 0.1765 0.0373  0.0415  -0.0274 55  VAL C CB  
2119 C CG1 . VAL C 41  ? 0.3032 0.1227 0.2028 0.0362  0.0376  -0.0065 55  VAL C CG1 
2120 C CG2 . VAL C 41  ? 0.3122 0.1399 0.1977 0.0456  0.0552  -0.0504 55  VAL C CG2 
2121 N N   . LEU C 42  ? 0.2904 0.1213 0.1774 0.0381  0.0431  -0.0362 56  LEU C N   
2122 C CA  . LEU C 42  ? 0.2751 0.1409 0.1748 0.0228  0.0348  -0.0311 56  LEU C CA  
2123 C C   . LEU C 42  ? 0.2454 0.1532 0.1785 0.0069  0.0118  -0.0292 56  LEU C C   
2124 O O   . LEU C 42  ? 0.2492 0.1612 0.1764 -0.0062 0.0091  -0.0334 56  LEU C O   
2125 C CB  . LEU C 42  ? 0.3155 0.1520 0.1992 -0.0075 0.0524  -0.0182 56  LEU C CB  
2126 C CG  . LEU C 42  ? 0.3519 0.1514 0.2054 -0.0174 0.0593  -0.0112 56  LEU C CG  
2127 C CD1 . LEU C 42  ? 0.3504 0.1558 0.2151 -0.0145 0.0507  0.0024  56  LEU C CD1 
2128 C CD2 . LEU C 42  ? 0.3844 0.1418 0.2116 -0.0328 0.0606  -0.0001 56  LEU C CD2 
2129 N N   A THR C 43  ? 0.2458 0.1435 0.1759 0.0277  0.0263  -0.0381 57  THR C N   
2130 N N   B THR C 43  ? 0.2457 0.1570 0.1548 0.0104  0.0175  -0.0366 57  THR C N   
2131 C CA  A THR C 43  ? 0.2554 0.1512 0.1542 0.0282  0.0344  -0.0233 57  THR C CA  
2132 C CA  B THR C 43  ? 0.2368 0.1641 0.1308 0.0063  0.0215  -0.0405 57  THR C CA  
2133 C C   A THR C 43  ? 0.2278 0.1579 0.1293 0.0146  0.0087  -0.0216 57  THR C C   
2134 C C   B THR C 43  ? 0.2203 0.1685 0.1291 0.0022  0.0224  -0.0403 57  THR C C   
2135 O O   A THR C 43  ? 0.2142 0.1463 0.1378 0.0083  -0.0183 -0.0168 57  THR C O   
2136 O O   B THR C 43  ? 0.2076 0.1677 0.1267 -0.0011 0.0233  -0.0453 57  THR C O   
2137 C CB  A THR C 43  ? 0.2895 0.1590 0.1970 0.0183  0.0613  -0.0394 57  THR C CB  
2138 C CB  B THR C 43  ? 0.2430 0.1684 0.1197 -0.0049 0.0280  -0.0516 57  THR C CB  
2139 O OG1 A THR C 43  ? 0.3051 0.1837 0.1967 0.0122  0.0664  -0.0144 57  THR C OG1 
2140 O OG1 B THR C 43  ? 0.2487 0.1680 0.0965 -0.0103 0.0380  -0.0492 57  THR C OG1 
2141 C CG2 A THR C 43  ? 0.2918 0.1500 0.2218 0.0224  0.0752  -0.0510 57  THR C CG2 
2142 C CG2 B THR C 43  ? 0.2396 0.1752 0.1204 -0.0072 0.0290  -0.0398 57  THR C CG2 
2143 N N   . GLY C 44  ? 0.2185 0.1710 0.1397 -0.0049 0.0251  -0.0368 58  GLY C N   
2144 C CA  . GLY C 44  ? 0.2042 0.1817 0.1480 -0.0118 0.0069  -0.0386 58  GLY C CA  
2145 C C   . GLY C 44  ? 0.2025 0.1860 0.1243 -0.0176 0.0229  -0.0294 58  GLY C C   
2146 O O   . GLY C 44  ? 0.2087 0.1795 0.1375 -0.0277 0.0133  -0.0383 58  GLY C O   
2147 N N   . ARG C 45  ? 0.2061 0.1766 0.1342 -0.0223 0.0459  -0.0305 59  ARG C N   
2148 C CA  . ARG C 45  ? 0.2104 0.1833 0.1455 -0.0249 0.0372  -0.0175 59  ARG C CA  
2149 C C   . ARG C 45  ? 0.2026 0.1991 0.1345 -0.0262 0.0268  -0.0216 59  ARG C C   
2150 O O   . ARG C 45  ? 0.2118 0.2076 0.1249 -0.0169 0.0147  -0.0387 59  ARG C O   
2151 C CB  . ARG C 45  ? 0.2190 0.1785 0.1237 -0.0178 0.0287  -0.0175 59  ARG C CB  
2152 C CG  . ARG C 45  ? 0.2141 0.2004 0.1208 -0.0146 0.0024  -0.0207 59  ARG C CG  
2153 C CD  . ARG C 45  ? 0.2168 0.2082 0.1448 -0.0005 -0.0072 -0.0273 59  ARG C CD  
2154 N NE  . ARG C 45  ? 0.2207 0.2066 0.1258 -0.0052 -0.0009 -0.0356 59  ARG C NE  
2155 C CZ  . ARG C 45  ? 0.2298 0.2062 0.1350 -0.0002 -0.0081 -0.0370 59  ARG C CZ  
2156 N NH1 . ARG C 45  ? 0.2391 0.2040 0.1564 0.0084  -0.0087 -0.0538 59  ARG C NH1 
2157 N NH2 . ARG C 45  ? 0.2439 0.2061 0.1861 -0.0283 -0.0321 -0.0412 59  ARG C NH2 
2158 N N   . TYR C 46  ? 0.2114 0.2119 0.1488 -0.0086 0.0284  -0.0186 60  TYR C N   
2159 C CA  . TYR C 46  ? 0.2003 0.2200 0.1399 -0.0322 0.0351  -0.0140 60  TYR C CA  
2160 C C   . TYR C 46  ? 0.2015 0.2341 0.1179 -0.0175 0.0308  -0.0278 60  TYR C C   
2161 O O   . TYR C 46  ? 0.2139 0.2365 0.1476 -0.0107 -0.0051 -0.0347 60  TYR C O   
2162 C CB  . TYR C 46  ? 0.2277 0.2098 0.1495 -0.0512 0.0216  -0.0305 60  TYR C CB  
2163 C CG  . TYR C 46  ? 0.2598 0.2093 0.1753 -0.0522 0.0035  -0.0321 60  TYR C CG  
2164 C CD1 . TYR C 46  ? 0.2618 0.2063 0.1853 -0.0644 0.0007  -0.0335 60  TYR C CD1 
2165 C CD2 . TYR C 46  ? 0.2821 0.2173 0.2048 -0.0507 -0.0152 -0.0272 60  TYR C CD2 
2166 C CE1 . TYR C 46  ? 0.2674 0.2136 0.2156 -0.0786 -0.0185 -0.0199 60  TYR C CE1 
2167 C CE2 . TYR C 46  ? 0.2921 0.2245 0.2279 -0.0657 -0.0302 -0.0231 60  TYR C CE2 
2168 C CZ  . TYR C 46  ? 0.2858 0.2246 0.2431 -0.0743 -0.0390 -0.0360 60  TYR C CZ  
2169 O OH  . TYR C 46  ? 0.2925 0.2414 0.2911 -0.0788 -0.0242 -0.0363 60  TYR C OH  
2170 N N   . ASP C 47  ? 0.2022 0.2396 0.1384 -0.0231 0.0159  -0.0369 61  ASP C N   
2171 C CA  . ASP C 47  ? 0.2068 0.2447 0.1403 -0.0126 0.0078  -0.0360 61  ASP C CA  
2172 C C   . ASP C 47  ? 0.2191 0.2437 0.1292 -0.0177 0.0060  -0.0480 61  ASP C C   
2173 O O   . ASP C 47  ? 0.2285 0.2480 0.1485 -0.0132 0.0029  -0.0340 61  ASP C O   
2174 C CB  . ASP C 47  ? 0.2027 0.2500 0.1542 0.0007  0.0199  -0.0376 61  ASP C CB  
2175 C CG  . ASP C 47  ? 0.1993 0.2673 0.1526 -0.0144 0.0079  -0.0494 61  ASP C CG  
2176 O OD1 . ASP C 47  ? 0.2070 0.2727 0.1792 -0.0191 0.0103  -0.0486 61  ASP C OD1 
2177 O OD2 . ASP C 47  ? 0.1858 0.2811 0.1563 -0.0026 0.0319  -0.0439 61  ASP C OD2 
2178 N N   . SER C 48  ? 0.2313 0.2548 0.1645 -0.0260 0.0023  -0.0698 62  SER C N   
2179 C CA  . SER C 48  ? 0.2481 0.2656 0.1933 -0.0397 0.0225  -0.0672 62  SER C CA  
2180 C C   . SER C 48  ? 0.2511 0.2737 0.2354 -0.0483 0.0396  -0.0747 62  SER C C   
2181 O O   . SER C 48  ? 0.2575 0.2851 0.2736 -0.0569 0.0505  -0.1017 62  SER C O   
2182 C CB  . SER C 48  ? 0.3042 0.2753 0.1992 -0.0448 0.0302  -0.0624 62  SER C CB  
2183 O OG  . SER C 48  ? 0.3392 0.2857 0.2022 -0.0414 0.0402  -0.0490 62  SER C OG  
2184 N N   . ALA C 49  ? 0.2285 0.2788 0.2218 -0.0293 0.0339  -0.0603 63  ALA C N   
2185 C CA  . ALA C 49  ? 0.2395 0.2778 0.2088 -0.0203 0.0112  -0.0619 63  ALA C CA  
2186 C C   . ALA C 49  ? 0.2355 0.2719 0.2040 -0.0230 0.0167  -0.0506 63  ALA C C   
2187 O O   . ALA C 49  ? 0.2252 0.2690 0.2214 -0.0129 0.0303  -0.0448 63  ALA C O   
2188 C CB  . ALA C 49  ? 0.2557 0.2942 0.2075 0.0008  -0.0253 -0.0516 63  ALA C CB  
2189 N N   . PRO C 50  ? 0.2690 0.2838 0.1861 -0.0138 0.0240  -0.0450 64  PRO C N   
2190 C CA  . PRO C 50  ? 0.2553 0.3003 0.1963 -0.0008 0.0239  -0.0429 64  PRO C CA  
2191 C C   . PRO C 50  ? 0.2620 0.3282 0.2064 -0.0042 0.0450  -0.0205 64  PRO C C   
2192 O O   . PRO C 50  ? 0.2600 0.3423 0.2355 -0.0052 0.0498  -0.0052 64  PRO C O   
2193 C CB  . PRO C 50  ? 0.2752 0.2905 0.2161 0.0037  0.0125  -0.0517 64  PRO C CB  
2194 C CG  . PRO C 50  ? 0.2908 0.2927 0.2262 -0.0139 -0.0060 -0.0590 64  PRO C CG  
2195 C CD  . PRO C 50  ? 0.2820 0.2819 0.2027 -0.0096 0.0133  -0.0578 64  PRO C CD  
2196 N N   . ALA C 51  ? 0.2565 0.3419 0.1964 0.0123  0.0551  -0.0166 65  ALA C N   
2197 C CA  . ALA C 51  ? 0.2776 0.3617 0.1921 0.0118  0.0693  -0.0143 65  ALA C CA  
2198 C C   . ALA C 51  ? 0.3104 0.3840 0.2155 0.0007  0.0577  0.0095  65  ALA C C   
2199 O O   . ALA C 51  ? 0.3204 0.3927 0.2475 0.0000  0.0604  0.0192  65  ALA C O   
2200 C CB  . ALA C 51  ? 0.2918 0.3585 0.1987 0.0185  0.0498  -0.0116 65  ALA C CB  
2201 N N   . THR C 52  ? 0.3123 0.3970 0.2023 0.0001  0.0699  0.0029  66  THR C N   
2202 C CA  . THR C 52  ? 0.3255 0.4090 0.2173 -0.0054 0.0617  -0.0020 66  THR C CA  
2203 C C   . THR C 52  ? 0.3352 0.4253 0.2299 -0.0075 0.0765  -0.0037 66  THR C C   
2204 O O   . THR C 52  ? 0.3531 0.4420 0.2540 -0.0278 0.0982  -0.0053 66  THR C O   
2205 C CB  . THR C 52  ? 0.3268 0.4031 0.2527 -0.0054 0.0415  0.0070  66  THR C CB  
2206 O OG1 . THR C 52  ? 0.3239 0.4071 0.2659 -0.0142 0.0036  0.0094  66  THR C OG1 
2207 C CG2 . THR C 52  ? 0.3306 0.4013 0.2716 0.0020  0.0423  0.0077  66  THR C CG2 
2208 N N   . ASP C 53  ? 0.3279 0.4272 0.2251 -0.0018 0.0626  -0.0089 67  ASP C N   
2209 C CA  . ASP C 53  ? 0.3255 0.4364 0.2496 0.0028  0.0792  -0.0217 67  ASP C CA  
2210 C C   . ASP C 53  ? 0.3320 0.4409 0.2337 -0.0145 0.0821  -0.0323 67  ASP C C   
2211 O O   . ASP C 53  ? 0.3634 0.4556 0.2687 -0.0219 0.0759  -0.0488 67  ASP C O   
2212 C CB  . ASP C 53  ? 0.3299 0.4344 0.2874 0.0206  0.0929  -0.0322 67  ASP C CB  
2213 C CG  . ASP C 53  ? 0.3696 0.4331 0.3309 0.0342  0.0871  -0.0303 67  ASP C CG  
2214 O OD1 . ASP C 53  ? 0.3628 0.4297 0.2824 0.0421  0.1002  -0.0469 67  ASP C OD1 
2215 O OD2 . ASP C 53  ? 0.3967 0.4378 0.4045 0.0380  0.0734  -0.0172 67  ASP C OD2 
2216 N N   . GLY C 54  ? 0.3216 0.4273 0.2244 -0.0393 0.0611  -0.0208 68  GLY C N   
2217 C CA  . GLY C 54  ? 0.3126 0.4150 0.2133 -0.0511 0.0379  -0.0088 68  GLY C CA  
2218 C C   . GLY C 54  ? 0.3050 0.3976 0.2175 -0.0548 0.0415  -0.0019 68  GLY C C   
2219 O O   . GLY C 54  ? 0.3193 0.4133 0.2508 -0.0691 0.0159  -0.0061 68  GLY C O   
2220 N N   . SER C 55  ? 0.2947 0.3659 0.2171 -0.0432 0.0727  -0.0195 69  SER C N   
2221 C CA  . SER C 55  ? 0.3043 0.3359 0.2393 -0.0354 0.0854  -0.0236 69  SER C CA  
2222 C C   . SER C 55  ? 0.2813 0.3019 0.2091 -0.0260 0.0739  -0.0392 69  SER C C   
2223 O O   . SER C 55  ? 0.2687 0.2912 0.2037 -0.0231 0.0391  -0.0513 69  SER C O   
2224 C CB  . SER C 55  ? 0.3353 0.3368 0.2854 -0.0328 0.1078  -0.0293 69  SER C CB  
2225 O OG  . SER C 55  ? 0.3622 0.3425 0.3257 -0.0407 0.0895  -0.0552 69  SER C OG  
2226 N N   . GLY C 56  ? 0.2734 0.2845 0.1805 -0.0170 0.0597  -0.0352 70  GLY C N   
2227 C CA  . GLY C 56  ? 0.2596 0.2704 0.1840 -0.0173 0.0369  -0.0372 70  GLY C CA  
2228 C C   . GLY C 56  ? 0.2567 0.2515 0.1699 -0.0409 0.0425  -0.0311 70  GLY C C   
2229 O O   . GLY C 56  ? 0.2552 0.2583 0.1617 -0.0359 0.0704  -0.0385 70  GLY C O   
2230 N N   . THR C 57  ? 0.2675 0.2383 0.1518 -0.0432 0.0426  -0.0315 71  THR C N   
2231 C CA  . THR C 57  ? 0.2594 0.2244 0.1596 -0.0481 0.0621  -0.0339 71  THR C CA  
2232 C C   . THR C 57  ? 0.2464 0.2090 0.1500 -0.0460 0.0379  -0.0156 71  THR C C   
2233 O O   . THR C 57  ? 0.2537 0.2146 0.1535 -0.0349 -0.0002 -0.0231 71  THR C O   
2234 C CB  . THR C 57  ? 0.2705 0.2376 0.1716 -0.0538 0.0672  -0.0372 71  THR C CB  
2235 O OG1 . THR C 57  ? 0.2854 0.2553 0.1728 -0.0581 0.0533  -0.0279 71  THR C OG1 
2236 C CG2 . THR C 57  ? 0.2784 0.2441 0.1846 -0.0498 0.0565  -0.0356 71  THR C CG2 
2237 N N   . ALA C 58  ? 0.2466 0.1954 0.1356 -0.0410 0.0380  -0.0329 72  ALA C N   
2238 C CA  . ALA C 58  ? 0.2348 0.1991 0.1278 -0.0173 0.0329  -0.0186 72  ALA C CA  
2239 C C   . ALA C 58  ? 0.2452 0.1946 0.1329 -0.0019 0.0361  -0.0259 72  ALA C C   
2240 O O   . ALA C 58  ? 0.2398 0.2002 0.1416 -0.0057 0.0122  -0.0309 72  ALA C O   
2241 C CB  . ALA C 58  ? 0.2360 0.2079 0.1342 -0.0017 0.0086  -0.0132 72  ALA C CB  
2242 N N   . LEU C 59  ? 0.2171 0.1827 0.1270 0.0136  0.0506  -0.0140 73  LEU C N   
2243 C CA  . LEU C 59  ? 0.2335 0.1789 0.1328 -0.0014 0.0392  -0.0199 73  LEU C CA  
2244 C C   . LEU C 59  ? 0.2216 0.1693 0.1311 -0.0056 0.0435  -0.0323 73  LEU C C   
2245 O O   . LEU C 59  ? 0.2115 0.1816 0.1296 -0.0181 0.0342  -0.0342 73  LEU C O   
2246 C CB  . LEU C 59  ? 0.2887 0.1890 0.1393 -0.0174 -0.0171 0.0181  73  LEU C CB  
2247 C CG  . LEU C 59  ? 0.3536 0.2166 0.2187 -0.0530 -0.0539 0.0204  73  LEU C CG  
2248 C CD1 . LEU C 59  ? 0.3815 0.2303 0.2426 -0.0500 -0.0740 0.0227  73  LEU C CD1 
2249 C CD2 . LEU C 59  ? 0.3696 0.2191 0.2385 -0.0873 -0.0673 0.0240  73  LEU C CD2 
2250 N N   . GLY C 60  ? 0.2256 0.1598 0.1338 -0.0008 0.0431  -0.0132 74  GLY C N   
2251 C CA  . GLY C 60  ? 0.2465 0.1574 0.1472 -0.0039 0.0492  -0.0186 74  GLY C CA  
2252 C C   . GLY C 60  ? 0.2354 0.1545 0.1149 -0.0032 0.0272  -0.0102 74  GLY C C   
2253 O O   . GLY C 60  ? 0.2313 0.1588 0.1050 -0.0191 0.0123  -0.0113 74  GLY C O   
2254 N N   . TRP C 61  ? 0.2070 0.1449 0.1057 -0.0046 0.0222  -0.0087 75  TRP C N   
2255 C CA  . TRP C 61  ? 0.2186 0.1281 0.1254 0.0098  0.0124  -0.0122 75  TRP C CA  
2256 C C   . TRP C 61  ? 0.2192 0.1269 0.0932 0.0113  -0.0025 -0.0189 75  TRP C C   
2257 O O   . TRP C 61  ? 0.2166 0.1317 0.1019 -0.0047 -0.0020 -0.0139 75  TRP C O   
2258 C CB  . TRP C 61  ? 0.2434 0.1234 0.1213 0.0122  -0.0002 0.0031  75  TRP C CB  
2259 C CG  . TRP C 61  ? 0.2757 0.1239 0.1301 -0.0010 0.0033  0.0139  75  TRP C CG  
2260 C CD1 . TRP C 61  ? 0.2938 0.1313 0.1381 -0.0150 0.0020  0.0255  75  TRP C CD1 
2261 C CD2 . TRP C 61  ? 0.2960 0.1267 0.1255 -0.0080 0.0323  0.0050  75  TRP C CD2 
2262 N NE1 . TRP C 61  ? 0.3072 0.1352 0.1239 -0.0107 0.0251  0.0243  75  TRP C NE1 
2263 C CE2 . TRP C 61  ? 0.2930 0.1280 0.1157 -0.0104 0.0429  -0.0031 75  TRP C CE2 
2264 C CE3 . TRP C 61  ? 0.3018 0.1328 0.1189 -0.0283 0.0488  -0.0069 75  TRP C CE3 
2265 C CZ2 . TRP C 61  ? 0.3126 0.1351 0.1555 -0.0104 0.0324  -0.0256 75  TRP C CZ2 
2266 C CZ3 . TRP C 61  ? 0.3201 0.1234 0.1380 -0.0108 0.0350  0.0082  75  TRP C CZ3 
2267 C CH2 . TRP C 61  ? 0.3174 0.1359 0.1468 -0.0283 0.0433  -0.0101 75  TRP C CH2 
2268 N N   . THR C 62  ? 0.2310 0.1159 0.1232 0.0104  0.0294  -0.0131 76  THR C N   
2269 C CA  . THR C 62  ? 0.2480 0.1123 0.1293 0.0042  0.0249  0.0003  76  THR C CA  
2270 C C   . THR C 62  ? 0.2343 0.1158 0.1125 -0.0093 0.0027  -0.0281 76  THR C C   
2271 O O   . THR C 62  ? 0.2348 0.1197 0.1206 -0.0069 0.0105  -0.0232 76  THR C O   
2272 C CB  . THR C 62  ? 0.2401 0.1236 0.1236 0.0072  0.0265  -0.0097 76  THR C CB  
2273 O OG1 . THR C 62  ? 0.2108 0.1286 0.1199 0.0282  0.0311  -0.0115 76  THR C OG1 
2274 C CG2 . THR C 62  ? 0.2317 0.1332 0.1405 -0.0083 0.0205  -0.0217 76  THR C CG2 
2275 N N   . VAL C 63  ? 0.2534 0.1099 0.1348 0.0113  0.0319  0.0061  77  VAL C N   
2276 C CA  . VAL C 63  ? 0.2621 0.1134 0.1108 0.0251  0.0057  -0.0018 77  VAL C CA  
2277 C C   . VAL C 63  ? 0.2401 0.1217 0.1345 0.0232  0.0296  -0.0230 77  VAL C C   
2278 O O   . VAL C 63  ? 0.2102 0.1413 0.1399 0.0117  0.0040  -0.0390 77  VAL C O   
2279 C CB  . VAL C 63  ? 0.3050 0.1079 0.1402 0.0324  0.0337  -0.0017 77  VAL C CB  
2280 C CG1 . VAL C 63  ? 0.3130 0.1181 0.1597 0.0406  0.0156  -0.0123 77  VAL C CG1 
2281 C CG2 . VAL C 63  ? 0.3154 0.0997 0.1454 0.0173  0.0308  0.0142  77  VAL C CG2 
2282 N N   . ALA C 64  ? 0.2393 0.1390 0.1284 0.0430  0.0145  -0.0098 78  ALA C N   
2283 C CA  . ALA C 64  ? 0.2699 0.1473 0.1349 0.0490  0.0225  -0.0125 78  ALA C CA  
2284 C C   . ALA C 64  ? 0.2591 0.1572 0.1357 0.0733  0.0067  -0.0135 78  ALA C C   
2285 O O   . ALA C 64  ? 0.2469 0.1594 0.1669 0.0723  -0.0150 -0.0180 78  ALA C O   
2286 C CB  . ALA C 64  ? 0.2638 0.1630 0.1383 0.0292  0.0151  -0.0075 78  ALA C CB  
2287 N N   . TRP C 65  ? 0.2763 0.1748 0.1351 0.0765  -0.0018 -0.0030 79  TRP C N   
2288 C CA  . TRP C 65  ? 0.2956 0.1693 0.1413 0.0758  -0.0073 -0.0392 79  TRP C CA  
2289 C C   . TRP C 65  ? 0.3001 0.1803 0.1550 0.0865  -0.0019 -0.0269 79  TRP C C   
2290 O O   . TRP C 65  ? 0.3216 0.1970 0.1662 0.0803  -0.0159 -0.0401 79  TRP C O   
2291 C CB  . TRP C 65  ? 0.3023 0.1721 0.1642 0.0591  -0.0153 -0.0465 79  TRP C CB  
2292 C CG  . TRP C 65  ? 0.3034 0.1739 0.1349 0.0552  -0.0124 -0.0137 79  TRP C CG  
2293 C CD1 . TRP C 65  ? 0.2959 0.1793 0.1197 0.0501  -0.0277 -0.0107 79  TRP C CD1 
2294 C CD2 . TRP C 65  ? 0.3087 0.1586 0.1086 0.0486  -0.0163 0.0200  79  TRP C CD2 
2295 N NE1 . TRP C 65  ? 0.2961 0.1746 0.1153 0.0452  -0.0063 0.0084  79  TRP C NE1 
2296 C CE2 . TRP C 65  ? 0.2951 0.1638 0.1082 0.0390  -0.0143 0.0233  79  TRP C CE2 
2297 C CE3 . TRP C 65  ? 0.3372 0.1629 0.1139 0.0316  -0.0177 0.0309  79  TRP C CE3 
2298 C CZ2 . TRP C 65  ? 0.3222 0.1762 0.1304 0.0280  -0.0198 0.0042  79  TRP C CZ2 
2299 C CZ3 . TRP C 65  ? 0.3417 0.1762 0.1551 0.0391  -0.0180 0.0179  79  TRP C CZ3 
2300 C CH2 . TRP C 65  ? 0.3379 0.1828 0.1699 0.0478  -0.0204 0.0198  79  TRP C CH2 
2301 N N   . LYS C 66  ? 0.2830 0.1812 0.1572 0.0975  0.0074  -0.0230 80  LYS C N   
2302 C CA  . LYS C 66  ? 0.2972 0.1954 0.1637 0.0863  0.0043  -0.0406 80  LYS C CA  
2303 C C   . LYS C 66  ? 0.3015 0.1894 0.1843 0.0806  -0.0057 -0.0431 80  LYS C C   
2304 O O   . LYS C 66  ? 0.2841 0.1766 0.2058 0.0670  -0.0097 -0.0372 80  LYS C O   
2305 C CB  . LYS C 66  ? 0.3027 0.2144 0.1576 0.0768  -0.0151 -0.0518 80  LYS C CB  
2306 C CG  . LYS C 66  ? 0.3122 0.2373 0.1471 0.0692  -0.0011 -0.0398 80  LYS C CG  
2307 C CD  . LYS C 66  ? 0.3510 0.2584 0.1969 0.0489  0.0450  -0.0525 80  LYS C CD  
2308 C CE  . LYS C 66  ? 0.3843 0.2819 0.2524 0.0347  0.0495  -0.0622 80  LYS C CE  
2309 N NZ  . LYS C 66  ? 0.4179 0.3026 0.3039 0.0269  0.0722  -0.0474 80  LYS C NZ  
2310 N N   . ASN C 67  ? 0.3210 0.2048 0.2202 0.0862  -0.0115 -0.0350 81  ASN C N   
2311 C CA  . ASN C 67  ? 0.3426 0.2183 0.2717 0.0867  -0.0150 -0.0553 81  ASN C CA  
2312 C C   . ASN C 67  ? 0.3575 0.2358 0.3585 0.0873  -0.0047 -0.0914 81  ASN C C   
2313 O O   . ASN C 67  ? 0.3665 0.2491 0.4034 0.0851  -0.0003 -0.1021 81  ASN C O   
2314 C CB  . ASN C 67  ? 0.3740 0.2187 0.2716 0.0888  -0.0386 -0.0335 81  ASN C CB  
2315 C CG  . ASN C 67  ? 0.3941 0.2168 0.2654 0.0957  -0.0399 -0.0442 81  ASN C CG  
2316 O OD1 . ASN C 67  ? 0.3987 0.2187 0.2690 0.1140  -0.0645 -0.0345 81  ASN C OD1 
2317 N ND2 . ASN C 67  ? 0.4144 0.2180 0.2610 0.0978  -0.0320 -0.0260 81  ASN C ND2 
2318 N N   . ASN C 68  ? 0.3604 0.2484 0.3830 0.1070  -0.0208 -0.1163 82  ASN C N   
2319 C CA  . ASN C 68  ? 0.3858 0.2708 0.4392 0.1152  -0.0176 -0.1273 82  ASN C CA  
2320 C C   . ASN C 68  ? 0.4056 0.2950 0.5080 0.1299  -0.0327 -0.1157 82  ASN C C   
2321 O O   . ASN C 68  ? 0.4191 0.3189 0.5537 0.1252  -0.0275 -0.1046 82  ASN C O   
2322 C CB  . ASN C 68  ? 0.4151 0.2785 0.4351 0.0963  0.0074  -0.1323 82  ASN C CB  
2323 C CG  . ASN C 68  ? 0.4439 0.2896 0.4258 0.0630  0.0271  -0.1346 82  ASN C CG  
2324 O OD1 . ASN C 68  ? 0.4669 0.3169 0.4260 0.0423  0.0493  -0.1224 82  ASN C OD1 
2325 N ND2 . ASN C 68  ? 0.4555 0.2898 0.4306 0.0527  0.0225  -0.1315 82  ASN C ND2 
2326 N N   . TYR C 69  ? 0.4219 0.3012 0.5372 0.1174  -0.0871 -0.0963 83  TYR C N   
2327 C CA  . TYR C 69  ? 0.4435 0.3142 0.5757 0.1132  -0.1126 -0.0707 83  TYR C CA  
2328 C C   . TYR C 69  ? 0.4387 0.3111 0.5405 0.1254  -0.1358 -0.0494 83  TYR C C   
2329 O O   . TYR C 69  ? 0.4481 0.3236 0.5564 0.1288  -0.1540 -0.0364 83  TYR C O   
2330 C CB  . TYR C 69  ? 0.4851 0.3388 0.6512 0.0862  -0.1071 -0.0703 83  TYR C CB  
2331 C CG  . TYR C 69  ? 0.5299 0.3685 0.7241 0.0597  -0.0857 -0.0701 83  TYR C CG  
2332 C CD1 . TYR C 69  ? 0.5511 0.3866 0.7543 0.0508  -0.0770 -0.0695 83  TYR C CD1 
2333 C CD2 . TYR C 69  ? 0.5456 0.3831 0.7573 0.0515  -0.0766 -0.0686 83  TYR C CD2 
2334 C CE1 . TYR C 69  ? 0.5676 0.3944 0.7775 0.0438  -0.0675 -0.0700 83  TYR C CE1 
2335 C CE2 . TYR C 69  ? 0.5620 0.3929 0.7802 0.0424  -0.0699 -0.0697 83  TYR C CE2 
2336 C CZ  . TYR C 69  ? 0.5814 0.4001 0.7923 0.0374  -0.0590 -0.0696 83  TYR C CZ  
2337 O OH  . TYR C 69  ? 0.6050 0.4185 0.8056 0.0357  -0.0445 -0.0667 83  TYR C OH  
2338 N N   . ARG C 70  ? 0.4128 0.2852 0.4872 0.1496  -0.1297 -0.0378 84  ARG C N   
2339 C CA  . ARG C 70  ? 0.4254 0.2741 0.4382 0.1377  -0.1111 -0.0229 84  ARG C CA  
2340 C C   . ARG C 70  ? 0.3958 0.2459 0.3709 0.1412  -0.1059 -0.0346 84  ARG C C   
2341 O O   . ARG C 70  ? 0.3945 0.2374 0.3761 0.1345  -0.1175 -0.0390 84  ARG C O   
2342 C CB  . ARG C 70  ? 0.4742 0.3054 0.4558 0.1197  -0.1047 0.0121  84  ARG C CB  
2343 C CG  . ARG C 70  ? 0.5281 0.3495 0.4938 0.0924  -0.0855 0.0339  84  ARG C CG  
2344 C CD  . ARG C 70  ? 0.5657 0.3888 0.5159 0.0807  -0.0720 0.0533  84  ARG C CD  
2345 N NE  . ARG C 70  ? 0.5957 0.4204 0.5490 0.0781  -0.0503 0.0573  84  ARG C NE  
2346 C CZ  . ARG C 70  ? 0.6149 0.4364 0.5710 0.0838  -0.0359 0.0557  84  ARG C CZ  
2347 N NH1 . ARG C 70  ? 0.6255 0.4424 0.5766 0.0864  -0.0326 0.0557  84  ARG C NH1 
2348 N NH2 . ARG C 70  ? 0.6204 0.4480 0.5832 0.0793  -0.0273 0.0497  84  ARG C NH2 
2349 N N   . ASN C 71  ? 0.3775 0.2326 0.3087 0.1376  -0.0969 -0.0455 85  ASN C N   
2350 C CA  . ASN C 71  ? 0.3631 0.2297 0.2522 0.1307  -0.0726 -0.0670 85  ASN C CA  
2351 C C   . ASN C 71  ? 0.3686 0.2456 0.2388 0.1269  -0.0572 -0.0674 85  ASN C C   
2352 O O   . ASN C 71  ? 0.3987 0.2530 0.2447 0.1238  -0.0487 -0.0669 85  ASN C O   
2353 C CB  . ASN C 71  ? 0.3506 0.2342 0.2385 0.1188  -0.0525 -0.0705 85  ASN C CB  
2354 C CG  . ASN C 71  ? 0.3387 0.2300 0.2154 0.1135  -0.0330 -0.0794 85  ASN C CG  
2355 O OD1 . ASN C 71  ? 0.3227 0.2275 0.2309 0.1066  -0.0565 -0.0730 85  ASN C OD1 
2356 N ND2 . ASN C 71  ? 0.3474 0.2455 0.2161 0.0884  -0.0432 -0.0910 85  ASN C ND2 
2357 N N   . ALA C 72  ? 0.3497 0.2447 0.2112 0.1383  -0.0423 -0.0514 86  ALA C N   
2358 C CA  . ALA C 72  ? 0.3474 0.2385 0.2024 0.1132  -0.0369 -0.0340 86  ALA C CA  
2359 C C   . ALA C 72  ? 0.3308 0.2333 0.1959 0.1067  -0.0211 -0.0341 86  ALA C C   
2360 O O   . ALA C 72  ? 0.3592 0.2333 0.1861 0.0940  -0.0237 -0.0346 86  ALA C O   
2361 C CB  . ALA C 72  ? 0.3471 0.2430 0.2017 0.0906  -0.0439 -0.0331 86  ALA C CB  
2362 N N   . HIS C 73  ? 0.2964 0.2384 0.1835 0.0812  -0.0319 -0.0399 87  HIS C N   
2363 C CA  . HIS C 73  ? 0.2726 0.2352 0.1626 0.0870  -0.0278 -0.0402 87  HIS C CA  
2364 C C   . HIS C 73  ? 0.2602 0.1911 0.1449 0.0759  -0.0159 -0.0394 87  HIS C C   
2365 O O   . HIS C 73  ? 0.2527 0.1825 0.1827 0.0624  -0.0225 -0.0356 87  HIS C O   
2366 C CB  . HIS C 73  ? 0.2667 0.2704 0.1849 0.1125  -0.0374 -0.0648 87  HIS C CB  
2367 C CG  . HIS C 73  ? 0.2662 0.3082 0.1977 0.1191  -0.0525 -0.0994 87  HIS C CG  
2368 N ND1 . HIS C 73  ? 0.2675 0.3201 0.1922 0.1176  -0.0477 -0.0968 87  HIS C ND1 
2369 C CD2 . HIS C 73  ? 0.2726 0.3304 0.2194 0.1205  -0.0532 -0.1093 87  HIS C CD2 
2370 C CE1 . HIS C 73  ? 0.2780 0.3345 0.1912 0.1155  -0.0512 -0.0898 87  HIS C CE1 
2371 N NE2 . HIS C 73  ? 0.2808 0.3458 0.2224 0.1140  -0.0599 -0.1161 87  HIS C NE2 
2372 N N   . SER C 74  ? 0.2566 0.1856 0.1463 0.0673  0.0033  -0.0113 88  SER C N   
2373 C CA  . SER C 74  ? 0.2531 0.1925 0.1105 0.0588  0.0061  -0.0015 88  SER C CA  
2374 C C   . SER C 74  ? 0.2376 0.1768 0.1247 0.0519  0.0250  -0.0317 88  SER C C   
2375 O O   . SER C 74  ? 0.2422 0.1548 0.1457 0.0331  0.0115  -0.0279 88  SER C O   
2376 C CB  . SER C 74  ? 0.2824 0.2057 0.1352 0.0561  -0.0032 0.0025  88  SER C CB  
2377 O OG  . SER C 74  ? 0.2878 0.2263 0.1887 0.0442  -0.0301 0.0069  88  SER C OG  
2378 N N   . ALA C 75  ? 0.2510 0.1779 0.1082 0.0533  0.0313  -0.0107 89  ALA C N   
2379 C CA  . ALA C 75  ? 0.2334 0.1766 0.1088 0.0366  0.0269  -0.0041 89  ALA C CA  
2380 C C   . ALA C 75  ? 0.2310 0.1590 0.0960 0.0232  0.0159  0.0005  89  ALA C C   
2381 O O   . ALA C 75  ? 0.2380 0.1457 0.1272 0.0020  -0.0041 -0.0002 89  ALA C O   
2382 C CB  . ALA C 75  ? 0.2689 0.1830 0.1123 0.0316  0.0148  0.0014  89  ALA C CB  
2383 N N   . THR C 76  ? 0.2419 0.1645 0.0924 0.0191  0.0055  -0.0077 90  THR C N   
2384 C CA  . THR C 76  ? 0.2319 0.1530 0.0725 0.0143  0.0032  0.0024  90  THR C CA  
2385 C C   . THR C 76  ? 0.2260 0.1456 0.0983 0.0115  0.0082  -0.0031 90  THR C C   
2386 O O   . THR C 76  ? 0.2309 0.1378 0.1157 -0.0003 0.0032  -0.0190 90  THR C O   
2387 C CB  . THR C 76  ? 0.2503 0.1592 0.0863 0.0175  -0.0089 -0.0050 90  THR C CB  
2388 O OG1 . THR C 76  ? 0.2574 0.1630 0.1283 0.0230  -0.0295 -0.0189 90  THR C OG1 
2389 C CG2 . THR C 76  ? 0.2439 0.1678 0.1242 0.0259  0.0225  0.0002  90  THR C CG2 
2390 N N   . THR C 77  ? 0.2422 0.1371 0.1241 0.0047  0.0302  -0.0045 91  THR C N   
2391 C CA  . THR C 77  ? 0.2335 0.1325 0.1121 0.0020  0.0349  -0.0063 91  THR C CA  
2392 C C   . THR C 77  ? 0.2056 0.1428 0.1160 -0.0216 0.0104  -0.0168 91  THR C C   
2393 O O   . THR C 77  ? 0.2330 0.1780 0.1188 -0.0580 0.0273  -0.0276 91  THR C O   
2394 C CB  . THR C 77  ? 0.2748 0.1263 0.1282 0.0072  0.0465  -0.0027 91  THR C CB  
2395 O OG1 . THR C 77  ? 0.2904 0.1322 0.1416 -0.0023 0.0522  -0.0108 91  THR C OG1 
2396 C CG2 . THR C 77  ? 0.2928 0.1466 0.1370 -0.0004 0.0480  -0.0095 91  THR C CG2 
2397 N N   . TRP C 78  ? 0.2017 0.1255 0.1144 -0.0182 0.0180  -0.0017 92  TRP C N   
2398 C CA  . TRP C 78  ? 0.1979 0.1265 0.1078 -0.0112 0.0116  0.0070  92  TRP C CA  
2399 C C   . TRP C 78  ? 0.2097 0.1428 0.1015 -0.0107 0.0074  -0.0321 92  TRP C C   
2400 O O   . TRP C 78  ? 0.1984 0.1465 0.1235 -0.0053 0.0169  -0.0251 92  TRP C O   
2401 C CB  . TRP C 78  ? 0.2221 0.1130 0.1224 -0.0089 -0.0043 0.0026  92  TRP C CB  
2402 C CG  . TRP C 78  ? 0.2531 0.1177 0.1004 -0.0023 0.0014  -0.0004 92  TRP C CG  
2403 C CD1 . TRP C 78  ? 0.2676 0.1143 0.1145 0.0088  0.0292  0.0132  92  TRP C CD1 
2404 C CD2 . TRP C 78  ? 0.2387 0.1237 0.1126 -0.0004 0.0096  -0.0078 92  TRP C CD2 
2405 N NE1 . TRP C 78  ? 0.2570 0.1251 0.1419 0.0042  0.0361  -0.0066 92  TRP C NE1 
2406 C CE2 . TRP C 78  ? 0.2391 0.1206 0.1316 0.0048  0.0273  -0.0095 92  TRP C CE2 
2407 C CE3 . TRP C 78  ? 0.2437 0.1190 0.1397 0.0080  0.0173  -0.0131 92  TRP C CE3 
2408 C CZ2 . TRP C 78  ? 0.2587 0.1279 0.1646 0.0018  0.0313  0.0088  92  TRP C CZ2 
2409 C CZ3 . TRP C 78  ? 0.2474 0.1254 0.1480 0.0104  0.0340  -0.0072 92  TRP C CZ3 
2410 C CH2 . TRP C 78  ? 0.2668 0.1255 0.1636 0.0090  0.0324  0.0070  92  TRP C CH2 
2411 N N   . SER C 79  ? 0.2143 0.1437 0.1235 -0.0109 0.0163  -0.0194 93  SER C N   
2412 C CA  . SER C 79  ? 0.2196 0.1458 0.1375 -0.0319 0.0296  -0.0093 93  SER C CA  
2413 C C   . SER C 79  ? 0.2163 0.1600 0.1509 -0.0329 0.0363  -0.0008 93  SER C C   
2414 O O   . SER C 79  ? 0.2173 0.1839 0.1253 -0.0282 0.0108  -0.0176 93  SER C O   
2415 C CB  . SER C 79  ? 0.2297 0.1493 0.1657 -0.0328 0.0192  -0.0026 93  SER C CB  
2416 O OG  . SER C 79  ? 0.2220 0.1563 0.2065 -0.0087 0.0468  0.0040  93  SER C OG  
2417 N N   . GLY C 80  ? 0.2151 0.1617 0.1189 -0.0385 0.0305  -0.0023 94  GLY C N   
2418 C CA  . GLY C 80  ? 0.2168 0.1727 0.1194 -0.0548 0.0410  0.0035  94  GLY C CA  
2419 C C   . GLY C 80  ? 0.2229 0.1781 0.1273 -0.0410 0.0483  -0.0159 94  GLY C C   
2420 O O   . GLY C 80  ? 0.2403 0.1765 0.1183 -0.0383 0.0200  -0.0179 94  GLY C O   
2421 N N   . GLN C 81  ? 0.2598 0.1867 0.1664 -0.0353 0.0458  -0.0201 95  GLN C N   
2422 C CA  . GLN C 81  ? 0.2766 0.2009 0.1757 -0.0492 0.0408  -0.0096 95  GLN C CA  
2423 C C   . GLN C 81  ? 0.2727 0.1973 0.1511 -0.0578 0.0379  0.0036  95  GLN C C   
2424 O O   . GLN C 81  ? 0.2687 0.2002 0.1773 -0.0366 0.0398  0.0051  95  GLN C O   
2425 C CB  . GLN C 81  ? 0.3003 0.2349 0.1882 -0.0299 0.0344  -0.0178 95  GLN C CB  
2426 C CG  . GLN C 81  ? 0.3107 0.2561 0.1939 -0.0275 0.0605  -0.0296 95  GLN C CG  
2427 C CD  . GLN C 81  ? 0.3063 0.2702 0.2032 -0.0227 0.0691  -0.0565 95  GLN C CD  
2428 O OE1 . GLN C 81  ? 0.2892 0.2771 0.1864 -0.0356 0.0813  -0.0636 95  GLN C OE1 
2429 N NE2 . GLN C 81  ? 0.3066 0.2803 0.2110 -0.0075 0.0482  -0.0772 95  GLN C NE2 
2430 N N   . TYR C 82  ? 0.2760 0.1946 0.1735 -0.0711 0.0530  -0.0012 96  TYR C N   
2431 C CA  . TYR C 82  ? 0.2783 0.2074 0.1688 -0.0706 0.0447  -0.0176 96  TYR C CA  
2432 C C   . TYR C 82  ? 0.2920 0.2389 0.1697 -0.0601 0.0347  -0.0055 96  TYR C C   
2433 O O   . TYR C 82  ? 0.2793 0.2505 0.1823 -0.0409 0.0485  0.0071  96  TYR C O   
2434 C CB  . TYR C 82  ? 0.3058 0.2137 0.1621 -0.0823 0.0193  -0.0284 96  TYR C CB  
2435 C CG  . TYR C 82  ? 0.3186 0.2254 0.2147 -0.0877 0.0130  -0.0189 96  TYR C CG  
2436 C CD1 . TYR C 82  ? 0.3320 0.2209 0.2152 -0.0969 0.0261  -0.0016 96  TYR C CD1 
2437 C CD2 . TYR C 82  ? 0.3281 0.2352 0.2683 -0.1043 0.0026  -0.0057 96  TYR C CD2 
2438 C CE1 . TYR C 82  ? 0.3377 0.2345 0.2587 -0.1134 0.0463  0.0018  96  TYR C CE1 
2439 C CE2 . TYR C 82  ? 0.3369 0.2486 0.2860 -0.1159 0.0014  0.0016  96  TYR C CE2 
2440 C CZ  . TYR C 82  ? 0.3445 0.2449 0.2827 -0.1240 0.0175  0.0097  96  TYR C CZ  
2441 O OH  . TYR C 82  ? 0.3655 0.2616 0.3311 -0.1376 0.0140  0.0212  96  TYR C OH  
2442 N N   . VAL C 83  ? 0.3002 0.2601 0.1810 -0.0520 0.0680  0.0080  97  VAL C N   
2443 C CA  . VAL C 83  ? 0.3382 0.3026 0.2471 -0.0528 0.0812  0.0379  97  VAL C CA  
2444 C C   . VAL C 83  ? 0.3450 0.3243 0.3017 -0.0701 0.0868  0.0824  97  VAL C C   
2445 O O   . VAL C 83  ? 0.3385 0.3127 0.3401 -0.0786 0.0771  0.1013  97  VAL C O   
2446 C CB  . VAL C 83  ? 0.3632 0.3207 0.2847 -0.0320 0.1230  0.0201  97  VAL C CB  
2447 C CG1 . VAL C 83  ? 0.3671 0.3294 0.3065 -0.0282 0.1251  0.0282  97  VAL C CG1 
2448 C CG2 . VAL C 83  ? 0.3875 0.3223 0.3019 -0.0295 0.1059  0.0162  97  VAL C CG2 
2449 N N   . GLY C 84  ? 0.3592 0.3590 0.3502 -0.0746 0.0835  0.0914  98  GLY C N   
2450 C CA  . GLY C 84  ? 0.3734 0.3893 0.4037 -0.0866 0.1005  0.0960  98  GLY C CA  
2451 C C   . GLY C 84  ? 0.4038 0.4163 0.4458 -0.0896 0.1376  0.0778  98  GLY C C   
2452 O O   . GLY C 84  ? 0.4072 0.4263 0.4635 -0.0831 0.1484  0.0581  98  GLY C O   
2453 N N   . GLY C 85  ? 0.4442 0.4316 0.4794 -0.0964 0.1474  0.0884  99  GLY C N   
2454 C CA  . GLY C 85  ? 0.4730 0.4460 0.5127 -0.1019 0.1564  0.0840  99  GLY C CA  
2455 C C   . GLY C 85  ? 0.4973 0.4623 0.5461 -0.0966 0.1409  0.0705  99  GLY C C   
2456 O O   . GLY C 85  ? 0.5128 0.4700 0.5677 -0.0964 0.1313  0.0625  99  GLY C O   
2457 N N   . ALA C 86  ? 0.5023 0.4682 0.5468 -0.0991 0.1396  0.0723  100 ALA C N   
2458 C CA  . ALA C 86  ? 0.5040 0.4715 0.5500 -0.1016 0.1335  0.0757  100 ALA C CA  
2459 C C   . ALA C 86  ? 0.5036 0.4710 0.5463 -0.0966 0.1304  0.0718  100 ALA C C   
2460 O O   . ALA C 86  ? 0.5215 0.4725 0.5719 -0.0980 0.1438  0.0569  100 ALA C O   
2461 C CB  . ALA C 86  ? 0.5068 0.4740 0.5503 -0.1051 0.1406  0.0789  100 ALA C CB  
2462 N N   . GLU C 87  ? 0.4847 0.4690 0.4995 -0.0998 0.1169  0.0935  101 GLU C N   
2463 C CA  . GLU C 87  ? 0.4740 0.4608 0.4408 -0.1046 0.1064  0.1176  101 GLU C CA  
2464 C C   . GLU C 87  ? 0.4575 0.4394 0.3811 -0.1159 0.1122  0.1198  101 GLU C C   
2465 O O   . GLU C 87  ? 0.4603 0.4493 0.3545 -0.1124 0.1199  0.1362  101 GLU C O   
2466 C CB  . GLU C 87  ? 0.4822 0.4683 0.4577 -0.0923 0.0889  0.1294  101 GLU C CB  
2467 C CG  . GLU C 87  ? 0.4754 0.4718 0.4610 -0.0874 0.0851  0.1462  101 GLU C CG  
2468 C CD  . GLU C 87  ? 0.4734 0.4753 0.4637 -0.0837 0.0861  0.1630  101 GLU C CD  
2469 O OE1 . GLU C 87  ? 0.4764 0.4735 0.4512 -0.0871 0.0902  0.1780  101 GLU C OE1 
2470 O OE2 . GLU C 87  ? 0.4720 0.4772 0.4685 -0.0857 0.0912  0.1727  101 GLU C OE2 
2471 N N   . ALA C 88  ? 0.4431 0.4112 0.3308 -0.1209 0.0761  0.1114  102 ALA C N   
2472 C CA  . ALA C 88  ? 0.4084 0.3762 0.2687 -0.1268 0.0587  0.1058  102 ALA C CA  
2473 C C   . ALA C 88  ? 0.3836 0.3422 0.2363 -0.1140 0.0233  0.0815  102 ALA C C   
2474 O O   . ALA C 88  ? 0.3861 0.3296 0.2501 -0.1160 0.0173  0.0989  102 ALA C O   
2475 C CB  . ALA C 88  ? 0.4190 0.3859 0.2912 -0.1224 0.0215  0.0831  102 ALA C CB  
2476 N N   . ARG C 89  ? 0.3510 0.3040 0.1962 -0.1119 0.0112  0.0597  103 ARG C N   
2477 C CA  . ARG C 89  ? 0.3442 0.2812 0.1670 -0.0917 0.0208  0.0268  103 ARG C CA  
2478 C C   . ARG C 89  ? 0.2928 0.2470 0.1612 -0.0837 0.0329  0.0289  103 ARG C C   
2479 O O   . ARG C 89  ? 0.2716 0.2608 0.1938 -0.0670 0.0193  0.0175  103 ARG C O   
2480 C CB  . ARG C 89  ? 0.3674 0.3008 0.1956 -0.0741 0.0268  0.0039  103 ARG C CB  
2481 C CG  . ARG C 89  ? 0.3763 0.3084 0.2183 -0.0707 0.0543  0.0114  103 ARG C CG  
2482 C CD  . ARG C 89  ? 0.3860 0.3163 0.2356 -0.0572 0.0548  0.0090  103 ARG C CD  
2483 N NE  . ARG C 89  ? 0.3938 0.3178 0.2637 -0.0379 0.0406  -0.0087 103 ARG C NE  
2484 C CZ  . ARG C 89  ? 0.3934 0.3095 0.2624 -0.0322 0.0370  0.0197  103 ARG C CZ  
2485 N NH1 . ARG C 89  ? 0.3880 0.3002 0.2656 -0.0308 0.0215  0.0254  103 ARG C NH1 
2486 N NH2 . ARG C 89  ? 0.3983 0.3112 0.2859 -0.0341 0.0206  0.0292  103 ARG C NH2 
2487 N N   . ILE C 90  ? 0.2998 0.2144 0.1472 -0.0684 0.0581  0.0195  104 ILE C N   
2488 C CA  . ILE C 90  ? 0.2873 0.1886 0.1455 -0.0624 0.0744  0.0026  104 ILE C CA  
2489 C C   . ILE C 90  ? 0.2804 0.1811 0.1699 -0.0556 0.0434  -0.0195 104 ILE C C   
2490 O O   . ILE C 90  ? 0.3005 0.1766 0.1570 -0.0410 0.0189  -0.0045 104 ILE C O   
2491 C CB  . ILE C 90  ? 0.2793 0.1909 0.1499 -0.0576 0.0599  0.0106  104 ILE C CB  
2492 C CG1 . ILE C 90  ? 0.3106 0.1992 0.1632 -0.0257 0.0552  -0.0114 104 ILE C CG1 
2493 C CG2 . ILE C 90  ? 0.2720 0.2097 0.1701 -0.0443 0.0730  0.0015  104 ILE C CG2 
2494 C CD1 . ILE C 90  ? 0.3328 0.2025 0.1815 -0.0204 0.0694  0.0015  104 ILE C CD1 
2495 N N   . ASN C 91  ? 0.2683 0.1740 0.1620 -0.0444 0.0381  -0.0158 105 ASN C N   
2496 C CA  . ASN C 91  ? 0.2756 0.1895 0.1421 -0.0332 0.0718  -0.0100 105 ASN C CA  
2497 C C   . ASN C 91  ? 0.2811 0.1720 0.1274 -0.0408 0.0623  -0.0029 105 ASN C C   
2498 O O   . ASN C 91  ? 0.2639 0.1705 0.1432 -0.0405 0.0152  0.0144  105 ASN C O   
2499 C CB  . ASN C 91  ? 0.3093 0.2245 0.1598 -0.0031 0.0832  0.0354  105 ASN C CB  
2500 C CG  . ASN C 91  ? 0.3565 0.2558 0.2305 0.0138  0.1151  0.0676  105 ASN C CG  
2501 O OD1 . ASN C 91  ? 0.3949 0.2731 0.2319 0.0262  0.1101  0.0662  105 ASN C OD1 
2502 N ND2 . ASN C 91  ? 0.3723 0.2766 0.2867 0.0139  0.1281  0.0546  105 ASN C ND2 
2503 N N   . THR C 92  ? 0.2870 0.1692 0.1052 -0.0347 0.0559  -0.0030 106 THR C N   
2504 C CA  . THR C 92  ? 0.2782 0.1582 0.0972 -0.0302 0.0512  -0.0083 106 THR C CA  
2505 C C   . THR C 92  ? 0.2491 0.1678 0.0902 -0.0355 0.0271  -0.0049 106 THR C C   
2506 O O   . THR C 92  ? 0.2459 0.1709 0.0987 -0.0227 0.0177  0.0084  106 THR C O   
2507 C CB  . THR C 92  ? 0.2722 0.1526 0.1292 -0.0232 0.0284  -0.0078 106 THR C CB  
2508 O OG1 . THR C 92  ? 0.2823 0.1597 0.1224 -0.0184 0.0433  0.0016  106 THR C OG1 
2509 C CG2 . THR C 92  ? 0.2940 0.1594 0.1613 -0.0289 0.0267  -0.0155 106 THR C CG2 
2510 N N   . GLN C 93  ? 0.2442 0.1555 0.1065 -0.0287 0.0234  -0.0119 107 GLN C N   
2511 C CA  . GLN C 93  ? 0.2312 0.1521 0.1186 -0.0093 0.0365  -0.0292 107 GLN C CA  
2512 C C   . GLN C 93  ? 0.2174 0.1333 0.1126 -0.0124 0.0200  -0.0094 107 GLN C C   
2513 O O   . GLN C 93  ? 0.2181 0.1472 0.1234 -0.0196 -0.0023 -0.0208 107 GLN C O   
2514 C CB  . GLN C 93  ? 0.2299 0.1878 0.1903 -0.0052 0.0512  -0.0330 107 GLN C CB  
2515 C CG  . GLN C 93  ? 0.2466 0.2141 0.2331 -0.0063 0.0561  -0.0432 107 GLN C CG  
2516 C CD  . GLN C 93  ? 0.2821 0.2367 0.2409 -0.0285 0.0056  -0.0506 107 GLN C CD  
2517 O OE1 . GLN C 93  ? 0.3151 0.2881 0.2833 -0.0161 -0.0285 -0.0231 107 GLN C OE1 
2518 N NE2 . GLN C 93  ? 0.2866 0.2318 0.2065 -0.0112 -0.0060 -0.0314 107 GLN C NE2 
2519 N N   . TRP C 94  ? 0.2167 0.1280 0.1094 -0.0220 0.0222  0.0003  108 TRP C N   
2520 C CA  . TRP C 94  ? 0.2244 0.1171 0.1222 -0.0017 0.0154  -0.0053 108 TRP C CA  
2521 C C   . TRP C 94  ? 0.2264 0.1146 0.1050 -0.0128 0.0074  -0.0042 108 TRP C C   
2522 O O   . TRP C 94  ? 0.2164 0.1209 0.1016 -0.0118 0.0157  -0.0132 108 TRP C O   
2523 C CB  . TRP C 94  ? 0.2465 0.1188 0.1043 0.0343  0.0083  -0.0019 108 TRP C CB  
2524 C CG  . TRP C 94  ? 0.2541 0.1235 0.0921 0.0046  -0.0046 -0.0053 108 TRP C CG  
2525 C CD1 . TRP C 94  ? 0.2771 0.1448 0.0967 -0.0162 0.0156  -0.0051 108 TRP C CD1 
2526 C CD2 . TRP C 94  ? 0.2485 0.1253 0.1060 -0.0002 0.0151  -0.0018 108 TRP C CD2 
2527 N NE1 . TRP C 94  ? 0.2841 0.1465 0.1057 -0.0155 0.0125  0.0192  108 TRP C NE1 
2528 C CE2 . TRP C 94  ? 0.2734 0.1368 0.1361 -0.0106 0.0080  -0.0034 108 TRP C CE2 
2529 C CE3 . TRP C 94  ? 0.2397 0.1350 0.1089 -0.0102 0.0212  -0.0206 108 TRP C CE3 
2530 C CZ2 . TRP C 94  ? 0.2651 0.1418 0.1557 -0.0009 -0.0014 -0.0032 108 TRP C CZ2 
2531 C CZ3 . TRP C 94  ? 0.2350 0.1275 0.1324 -0.0031 0.0111  -0.0153 108 TRP C CZ3 
2532 C CH2 . TRP C 94  ? 0.2527 0.1280 0.1363 -0.0091 0.0050  -0.0132 108 TRP C CH2 
2533 N N   . LEU C 95  ? 0.2181 0.1132 0.1175 -0.0043 0.0433  -0.0041 109 LEU C N   
2534 C CA  . LEU C 95  ? 0.2251 0.1121 0.1035 0.0090  0.0131  0.0103  109 LEU C CA  
2535 C C   . LEU C 95  ? 0.2232 0.1237 0.1175 0.0107  0.0011  -0.0275 109 LEU C C   
2536 O O   . LEU C 95  ? 0.2389 0.1581 0.1610 0.0071  -0.0188 -0.0620 109 LEU C O   
2537 C CB  . LEU C 95  ? 0.2401 0.1171 0.1147 0.0284  0.0035  0.0279  109 LEU C CB  
2538 C CG  . LEU C 95  ? 0.2599 0.1254 0.1286 0.0388  0.0204  0.0148  109 LEU C CG  
2539 C CD1 . LEU C 95  ? 0.2649 0.1451 0.1411 0.0552  0.0170  0.0590  109 LEU C CD1 
2540 C CD2 . LEU C 95  ? 0.2791 0.1385 0.1448 0.0351  -0.0066 0.0044  109 LEU C CD2 
2541 N N   . LEU C 96  ? 0.2262 0.1233 0.1156 0.0105  0.0268  -0.0054 110 LEU C N   
2542 C CA  . LEU C 96  ? 0.2397 0.1284 0.1163 0.0133  0.0162  0.0052  110 LEU C CA  
2543 C C   . LEU C 96  ? 0.2462 0.1285 0.1041 -0.0025 0.0415  -0.0062 110 LEU C C   
2544 O O   . LEU C 96  ? 0.2438 0.1315 0.1088 -0.0044 0.0142  -0.0102 110 LEU C O   
2545 C CB  . LEU C 96  ? 0.2837 0.1533 0.1174 0.0411  0.0038  0.0048  110 LEU C CB  
2546 C CG  . LEU C 96  ? 0.2903 0.1768 0.1389 0.0536  0.0012  0.0273  110 LEU C CG  
2547 C CD1 . LEU C 96  ? 0.3101 0.1841 0.1441 0.0554  0.0275  0.0081  110 LEU C CD1 
2548 C CD2 . LEU C 96  ? 0.3082 0.1854 0.1696 0.0482  -0.0161 0.0466  110 LEU C CD2 
2549 N N   . THR C 97  ? 0.2387 0.1299 0.0979 0.0154  0.0377  0.0167  111 THR C N   
2550 C CA  . THR C 97  ? 0.2248 0.1416 0.0934 0.0109  0.0058  0.0068  111 THR C CA  
2551 C C   . THR C 97  ? 0.1937 0.1588 0.1218 0.0138  0.0271  -0.0201 111 THR C C   
2552 O O   . THR C 97  ? 0.2144 0.1622 0.1472 0.0053  0.0145  -0.0299 111 THR C O   
2553 C CB  . THR C 97  ? 0.2492 0.1532 0.1069 0.0049  0.0155  0.0298  111 THR C CB  
2554 O OG1 . THR C 97  ? 0.2376 0.1487 0.1294 0.0174  0.0214  0.0110  111 THR C OG1 
2555 C CG2 . THR C 97  ? 0.2764 0.1534 0.1072 -0.0092 0.0114  0.0306  111 THR C CG2 
2556 N N   . SER C 98  ? 0.1942 0.1969 0.1431 0.0298  0.0226  -0.0131 112 SER C N   
2557 C CA  . SER C 98  ? 0.1981 0.2156 0.1299 0.0191  0.0236  -0.0276 112 SER C CA  
2558 C C   . SER C 98  ? 0.2062 0.2134 0.1340 0.0166  0.0347  -0.0297 112 SER C C   
2559 O O   . SER C 98  ? 0.2102 0.2095 0.1959 0.0039  0.0326  -0.0178 112 SER C O   
2560 C CB  . SER C 98  ? 0.2175 0.2271 0.1503 0.0173  -0.0091 -0.0165 112 SER C CB  
2561 O OG  . SER C 98  ? 0.2483 0.2376 0.2017 0.0438  -0.0071 0.0010  112 SER C OG  
2562 N N   . GLY C 99  ? 0.2217 0.2278 0.1493 0.0116  0.0369  -0.0239 113 GLY C N   
2563 C CA  . GLY C 99  ? 0.2242 0.2461 0.1702 0.0117  0.0249  -0.0252 113 GLY C CA  
2564 C C   . GLY C 99  ? 0.2233 0.2597 0.1865 0.0126  -0.0003 -0.0079 113 GLY C C   
2565 O O   . GLY C 99  ? 0.2492 0.2762 0.2771 0.0259  -0.0079 0.0216  113 GLY C O   
2566 N N   . THR C 100 ? 0.2168 0.2541 0.1695 0.0036  0.0372  -0.0341 114 THR C N   
2567 C CA  . THR C 100 ? 0.2328 0.2632 0.1764 -0.0163 0.0453  -0.0357 114 THR C CA  
2568 C C   . THR C 100 ? 0.2346 0.2809 0.1817 -0.0263 0.0431  -0.0454 114 THR C C   
2569 O O   . THR C 100 ? 0.2291 0.2802 0.1509 -0.0286 0.0526  -0.0367 114 THR C O   
2570 C CB  . THR C 100 ? 0.2451 0.2546 0.1784 -0.0176 0.0472  -0.0232 114 THR C CB  
2571 O OG1 . THR C 100 ? 0.2303 0.2446 0.1752 -0.0116 0.0484  -0.0428 114 THR C OG1 
2572 C CG2 . THR C 100 ? 0.2741 0.2563 0.1847 -0.0336 0.0633  -0.0304 114 THR C CG2 
2573 N N   . THR C 101 ? 0.2412 0.2917 0.2093 -0.0317 0.0409  -0.0404 115 THR C N   
2574 C CA  . THR C 101 ? 0.2492 0.3141 0.2252 -0.0376 0.0322  -0.0557 115 THR C CA  
2575 C C   . THR C 101 ? 0.2679 0.3086 0.1727 -0.0465 0.0593  -0.0469 115 THR C C   
2576 O O   . THR C 101 ? 0.2432 0.3116 0.1639 -0.0406 0.0486  -0.0411 115 THR C O   
2577 C CB  . THR C 101 ? 0.2636 0.3333 0.2913 -0.0321 0.0223  -0.0738 115 THR C CB  
2578 O OG1 . THR C 101 ? 0.2751 0.3501 0.2954 -0.0332 0.0086  -0.0640 115 THR C OG1 
2579 C CG2 . THR C 101 ? 0.2769 0.3485 0.3463 -0.0199 0.0148  -0.0627 115 THR C CG2 
2580 N N   . GLU C 102 ? 0.3241 0.3130 0.1799 -0.0492 0.0569  -0.0234 116 GLU C N   
2581 C CA  . GLU C 102 ? 0.3558 0.3185 0.2136 -0.0423 0.0599  -0.0148 116 GLU C CA  
2582 C C   . GLU C 102 ? 0.3270 0.3022 0.2079 -0.0554 0.0677  -0.0286 116 GLU C C   
2583 O O   . GLU C 102 ? 0.3068 0.3015 0.2130 -0.0603 0.0777  -0.0236 116 GLU C O   
2584 C CB  . GLU C 102 ? 0.3962 0.3464 0.2867 -0.0230 0.0640  0.0056  116 GLU C CB  
2585 C CG  . GLU C 102 ? 0.4480 0.3755 0.3599 -0.0190 0.0817  0.0222  116 GLU C CG  
2586 C CD  . GLU C 102 ? 0.4904 0.4039 0.4544 -0.0030 0.1028  0.0167  116 GLU C CD  
2587 O OE1 . GLU C 102 ? 0.5092 0.4127 0.4858 -0.0030 0.0980  0.0131  116 GLU C OE1 
2588 O OE2 . GLU C 102 ? 0.5172 0.4191 0.5004 0.0154  0.1227  0.0162  116 GLU C OE2 
2589 N N   . ALA C 103 ? 0.3153 0.3069 0.2196 -0.0600 0.0608  -0.0355 117 ALA C N   
2590 C CA  . ALA C 103 ? 0.2995 0.3216 0.2564 -0.0701 0.0380  -0.0463 117 ALA C CA  
2591 C C   . ALA C 103 ? 0.2797 0.3203 0.2312 -0.0629 0.0567  -0.0505 117 ALA C C   
2592 O O   . ALA C 103 ? 0.2949 0.3250 0.2153 -0.0653 0.0665  -0.0637 117 ALA C O   
2593 C CB  . ALA C 103 ? 0.3008 0.3298 0.3031 -0.0722 0.0232  -0.0519 117 ALA C CB  
2594 N N   . ASN C 104 ? 0.2522 0.3056 0.2004 -0.0751 0.0256  -0.0471 118 ASN C N   
2595 C CA  . ASN C 104 ? 0.2596 0.3007 0.2005 -0.0459 0.0166  -0.0337 118 ASN C CA  
2596 C C   . ASN C 104 ? 0.2441 0.2779 0.1655 -0.0244 0.0304  -0.0279 118 ASN C C   
2597 O O   . ASN C 104 ? 0.2455 0.2759 0.1591 -0.0218 0.0282  -0.0288 118 ASN C O   
2598 C CB  . ASN C 104 ? 0.2715 0.3200 0.2355 -0.0276 -0.0083 -0.0327 118 ASN C CB  
2599 C CG  . ASN C 104 ? 0.2868 0.3375 0.2574 -0.0202 -0.0301 -0.0714 118 ASN C CG  
2600 O OD1 . ASN C 104 ? 0.2960 0.3445 0.2756 -0.0037 -0.0427 -0.0875 118 ASN C OD1 
2601 N ND2 . ASN C 104 ? 0.2946 0.3561 0.3032 -0.0154 -0.0272 -0.0410 118 ASN C ND2 
2602 N N   . ALA C 105 ? 0.2431 0.2595 0.1422 -0.0216 0.0332  -0.0206 119 ALA C N   
2603 C CA  . ALA C 105 ? 0.2352 0.2438 0.1459 -0.0164 0.0358  -0.0238 119 ALA C CA  
2604 C C   . ALA C 105 ? 0.2370 0.2122 0.1539 -0.0167 0.0501  -0.0299 119 ALA C C   
2605 O O   . ALA C 105 ? 0.2442 0.2177 0.1874 -0.0043 0.0397  -0.0104 119 ALA C O   
2606 C CB  . ALA C 105 ? 0.2467 0.2640 0.1254 -0.0072 0.0064  -0.0246 119 ALA C CB  
2607 N N   . TRP C 106 ? 0.2502 0.1949 0.1522 -0.0293 0.0557  -0.0278 120 TRP C N   
2608 C CA  . TRP C 106 ? 0.2571 0.1849 0.1630 -0.0357 0.0573  -0.0120 120 TRP C CA  
2609 C C   . TRP C 106 ? 0.2481 0.1801 0.1639 -0.0175 0.0443  -0.0065 120 TRP C C   
2610 O O   . TRP C 106 ? 0.2315 0.1820 0.1757 -0.0204 0.0516  -0.0246 120 TRP C O   
2611 C CB  . TRP C 106 ? 0.2663 0.1957 0.1876 -0.0384 0.0238  -0.0252 120 TRP C CB  
2612 C CG  . TRP C 106 ? 0.2741 0.2134 0.1508 -0.0469 0.0216  -0.0235 120 TRP C CG  
2613 C CD1 . TRP C 106 ? 0.2858 0.2306 0.1777 -0.0349 0.0259  -0.0303 120 TRP C CD1 
2614 C CD2 . TRP C 106 ? 0.2824 0.2111 0.1445 -0.0527 0.0287  -0.0319 120 TRP C CD2 
2615 N NE1 . TRP C 106 ? 0.2901 0.2376 0.1587 -0.0289 0.0224  -0.0330 120 TRP C NE1 
2616 C CE2 . TRP C 106 ? 0.2937 0.2246 0.1446 -0.0456 0.0272  -0.0326 120 TRP C CE2 
2617 C CE3 . TRP C 106 ? 0.2876 0.2167 0.1618 -0.0471 0.0506  -0.0289 120 TRP C CE3 
2618 C CZ2 . TRP C 106 ? 0.3005 0.2352 0.1613 -0.0270 0.0300  -0.0301 120 TRP C CZ2 
2619 C CZ3 . TRP C 106 ? 0.2893 0.2304 0.1935 -0.0388 0.0298  -0.0324 120 TRP C CZ3 
2620 C CH2 . TRP C 106 ? 0.2977 0.2372 0.2008 -0.0273 0.0262  -0.0274 120 TRP C CH2 
2621 N N   . LYS C 107 ? 0.2480 0.1628 0.1670 -0.0267 0.0418  -0.0063 121 LYS C N   
2622 C CA  . LYS C 107 ? 0.2356 0.1955 0.1533 -0.0180 0.0238  -0.0093 121 LYS C CA  
2623 C C   . LYS C 107 ? 0.2429 0.1842 0.1414 -0.0169 0.0384  -0.0188 121 LYS C C   
2624 O O   . LYS C 107 ? 0.2233 0.1888 0.1730 -0.0115 0.0170  -0.0055 121 LYS C O   
2625 C CB  . LYS C 107 ? 0.2271 0.2417 0.1824 -0.0171 0.0191  0.0066  121 LYS C CB  
2626 C CG  . LYS C 107 ? 0.2242 0.2770 0.1927 -0.0145 -0.0172 0.0128  121 LYS C CG  
2627 C CD  . LYS C 107 ? 0.2251 0.3059 0.2141 -0.0090 -0.0400 0.0122  121 LYS C CD  
2628 C CE  . LYS C 107 ? 0.2563 0.3360 0.2791 0.0018  -0.0742 -0.0088 121 LYS C CE  
2629 N NZ  . LYS C 107 ? 0.2752 0.3566 0.3333 0.0088  -0.0802 0.0036  121 LYS C NZ  
2630 N N   . SER C 108 ? 0.2473 0.1599 0.1360 -0.0334 0.0349  -0.0241 122 SER C N   
2631 C CA  . SER C 108 ? 0.2479 0.1543 0.1355 -0.0218 0.0100  -0.0137 122 SER C CA  
2632 C C   . SER C 108 ? 0.2247 0.1472 0.1268 0.0042  0.0027  -0.0025 122 SER C C   
2633 O O   . SER C 108 ? 0.1970 0.1458 0.1566 0.0197  0.0185  -0.0265 122 SER C O   
2634 C CB  . SER C 108 ? 0.2935 0.1588 0.1632 0.0017  0.0170  -0.0147 122 SER C CB  
2635 O OG  . SER C 108 ? 0.3351 0.1526 0.1682 -0.0128 -0.0335 -0.0057 122 SER C OG  
2636 N N   . THR C 109 ? 0.2241 0.1293 0.1239 0.0300  0.0154  0.0063  123 THR C N   
2637 C CA  . THR C 109 ? 0.2171 0.1343 0.1289 0.0353  0.0419  0.0147  123 THR C CA  
2638 C C   . THR C 109 ? 0.2047 0.1106 0.1145 0.0184  0.0185  0.0046  123 THR C C   
2639 O O   . THR C 109 ? 0.2266 0.1203 0.1327 0.0009  0.0323  0.0015  123 THR C O   
2640 C CB  . THR C 109 ? 0.2271 0.1609 0.1324 0.0202  0.0275  0.0345  123 THR C CB  
2641 O OG1 . THR C 109 ? 0.2272 0.2030 0.1287 0.0302  0.0262  0.0407  123 THR C OG1 
2642 C CG2 . THR C 109 ? 0.2318 0.1474 0.1324 -0.0042 0.0283  0.0066  123 THR C CG2 
2643 N N   . LEU C 110 ? 0.2000 0.1333 0.0960 -0.0136 0.0142  0.0151  124 LEU C N   
2644 C CA  . LEU C 110 ? 0.2287 0.1210 0.1115 -0.0146 0.0207  0.0013  124 LEU C CA  
2645 C C   . LEU C 110 ? 0.2368 0.1257 0.1035 -0.0061 0.0279  -0.0192 124 LEU C C   
2646 O O   . LEU C 110 ? 0.2264 0.1332 0.0963 -0.0038 0.0048  -0.0162 124 LEU C O   
2647 C CB  . LEU C 110 ? 0.2735 0.1276 0.1194 -0.0060 -0.0027 -0.0019 124 LEU C CB  
2648 C CG  . LEU C 110 ? 0.2740 0.1346 0.1351 0.0146  -0.0129 -0.0076 124 LEU C CG  
2649 C CD1 . LEU C 110 ? 0.2902 0.1368 0.1822 0.0204  -0.0027 -0.0277 124 LEU C CD1 
2650 C CD2 . LEU C 110 ? 0.2703 0.1585 0.1205 0.0303  -0.0224 -0.0177 124 LEU C CD2 
2651 N N   . VAL C 111 ? 0.2643 0.1285 0.1012 -0.0065 0.0393  -0.0035 125 VAL C N   
2652 C CA  . VAL C 111 ? 0.2634 0.1229 0.1040 -0.0062 0.0388  0.0029  125 VAL C CA  
2653 C C   . VAL C 111 ? 0.2383 0.1234 0.1066 -0.0219 0.0219  0.0089  125 VAL C C   
2654 O O   . VAL C 111 ? 0.2402 0.1430 0.1112 -0.0089 0.0126  -0.0021 125 VAL C O   
2655 C CB  . VAL C 111 ? 0.2724 0.1218 0.1197 -0.0090 0.0169  -0.0056 125 VAL C CB  
2656 C CG1 . VAL C 111 ? 0.2926 0.1131 0.1413 -0.0167 -0.0058 -0.0214 125 VAL C CG1 
2657 C CG2 . VAL C 111 ? 0.2877 0.1338 0.1191 -0.0044 0.0327  -0.0187 125 VAL C CG2 
2658 N N   . GLY C 112 ? 0.2476 0.1084 0.1189 -0.0298 0.0371  -0.0042 126 GLY C N   
2659 C CA  . GLY C 112 ? 0.2580 0.1310 0.1221 -0.0436 0.0465  -0.0086 126 GLY C CA  
2660 C C   . GLY C 112 ? 0.2516 0.1502 0.0886 -0.0329 0.0266  -0.0184 126 GLY C C   
2661 O O   . GLY C 112 ? 0.2431 0.1572 0.0899 -0.0248 0.0010  -0.0028 126 GLY C O   
2662 N N   . HIS C 113 ? 0.2675 0.1574 0.1206 -0.0339 0.0265  0.0037  127 HIS C N   
2663 C CA  . HIS C 113 ? 0.3056 0.1479 0.1291 -0.0129 0.0304  0.0031  127 HIS C CA  
2664 C C   . HIS C 113 ? 0.3011 0.1485 0.1301 -0.0180 0.0020  0.0154  127 HIS C C   
2665 O O   . HIS C 113 ? 0.3189 0.1720 0.1315 -0.0072 -0.0220 0.0057  127 HIS C O   
2666 C CB  . HIS C 113 ? 0.3358 0.1798 0.1159 -0.0086 0.0248  -0.0165 127 HIS C CB  
2667 C CG  . HIS C 113 ? 0.3661 0.1950 0.1224 -0.0006 0.0248  -0.0089 127 HIS C CG  
2668 N ND1 . HIS C 113 ? 0.4177 0.2186 0.1287 0.0036  0.0386  -0.0048 127 HIS C ND1 
2669 C CD2 . HIS C 113 ? 0.3789 0.2063 0.1083 0.0077  -0.0057 -0.0374 127 HIS C CD2 
2670 C CE1 . HIS C 113 ? 0.4234 0.2260 0.1270 0.0104  0.0485  0.0129  127 HIS C CE1 
2671 N NE2 . HIS C 113 ? 0.4097 0.2295 0.1523 0.0146  0.0076  -0.0095 127 HIS C NE2 
2672 N N   . ASP C 114 ? 0.2702 0.1427 0.1325 -0.0187 0.0059  0.0068  128 ASP C N   
2673 C CA  . ASP C 114 ? 0.2777 0.1488 0.1493 -0.0162 0.0105  0.0156  128 ASP C CA  
2674 C C   . ASP C 114 ? 0.2827 0.1602 0.1408 -0.0320 0.0348  0.0100  128 ASP C C   
2675 O O   . ASP C 114 ? 0.2668 0.1595 0.1684 -0.0320 0.0333  0.0182  128 ASP C O   
2676 C CB  . ASP C 114 ? 0.2882 0.1559 0.1311 -0.0178 0.0120  0.0169  128 ASP C CB  
2677 C CG  . ASP C 114 ? 0.3056 0.1485 0.1202 0.0006  0.0111  0.0205  128 ASP C CG  
2678 O OD1 . ASP C 114 ? 0.3130 0.1667 0.1573 -0.0100 -0.0021 0.0286  128 ASP C OD1 
2679 O OD2 . ASP C 114 ? 0.3036 0.1374 0.1453 0.0091  0.0122  0.0251  128 ASP C OD2 
2680 N N   . THR C 115 ? 0.2861 0.1765 0.1435 -0.0337 0.0595  -0.0050 129 THR C N   
2681 C CA  . THR C 115 ? 0.3140 0.1956 0.1593 -0.0433 0.0550  0.0023  129 THR C CA  
2682 C C   . THR C 115 ? 0.3089 0.1897 0.1457 -0.0550 0.0304  0.0162  129 THR C C   
2683 O O   . THR C 115 ? 0.3118 0.1858 0.1821 -0.0415 -0.0021 0.0245  129 THR C O   
2684 C CB  . THR C 115 ? 0.3511 0.2346 0.1965 -0.0446 0.0696  -0.0019 129 THR C CB  
2685 O OG1 . THR C 115 ? 0.3579 0.2472 0.2422 -0.0398 0.0864  -0.0268 129 THR C OG1 
2686 C CG2 . THR C 115 ? 0.3824 0.2589 0.2018 -0.0271 0.0790  -0.0173 129 THR C CG2 
2687 N N   . PHE C 116 ? 0.2934 0.1779 0.1457 -0.0662 0.0336  -0.0098 130 PHE C N   
2688 C CA  . PHE C 116 ? 0.3201 0.1786 0.1359 -0.0675 0.0256  0.0065  130 PHE C CA  
2689 C C   . PHE C 116 ? 0.3363 0.1948 0.1495 -0.0632 0.0398  0.0265  130 PHE C C   
2690 O O   . PHE C 116 ? 0.3482 0.1958 0.1547 -0.0719 0.0287  0.0143  130 PHE C O   
2691 C CB  . PHE C 116 ? 0.3380 0.1818 0.1209 -0.0571 0.0284  0.0137  130 PHE C CB  
2692 C CG  . PHE C 116 ? 0.3169 0.1585 0.1186 -0.0245 0.0205  0.0164  130 PHE C CG  
2693 C CD1 . PHE C 116 ? 0.3089 0.1563 0.1280 -0.0269 0.0047  0.0041  130 PHE C CD1 
2694 C CD2 . PHE C 116 ? 0.3195 0.1611 0.1602 -0.0098 0.0353  0.0074  130 PHE C CD2 
2695 C CE1 . PHE C 116 ? 0.3084 0.1559 0.1211 -0.0105 0.0010  -0.0166 130 PHE C CE1 
2696 C CE2 . PHE C 116 ? 0.3238 0.1656 0.1720 -0.0110 0.0279  0.0181  130 PHE C CE2 
2697 C CZ  . PHE C 116 ? 0.3145 0.1610 0.1586 -0.0075 0.0074  -0.0082 130 PHE C CZ  
2698 N N   . THR C 117 ? 0.3334 0.2037 0.1660 -0.0627 0.0456  0.0498  131 THR C N   
2699 C CA  . THR C 117 ? 0.3659 0.2255 0.1888 -0.0501 0.0391  0.0365  131 THR C CA  
2700 C C   . THR C 117 ? 0.3459 0.2173 0.2339 -0.0825 0.0249  0.0339  131 THR C C   
2701 O O   . THR C 117 ? 0.3251 0.2148 0.2204 -0.0837 0.0431  0.0374  131 THR C O   
2702 C CB  . THR C 117 ? 0.4181 0.2687 0.1839 -0.0133 0.0374  0.0484  131 THR C CB  
2703 O OG1 . THR C 117 ? 0.4599 0.3015 0.2051 0.0264  0.0163  0.0596  131 THR C OG1 
2704 C CG2 . THR C 117 ? 0.4274 0.2836 0.1684 -0.0181 0.0731  0.0398  131 THR C CG2 
2705 N N   . LYS C 118 ? 0.3670 0.2243 0.2785 -0.0857 -0.0021 0.0308  132 LYS C N   
2706 C CA  . LYS C 118 ? 0.3898 0.2391 0.3155 -0.0884 -0.0209 0.0247  132 LYS C CA  
2707 C C   . LYS C 118 ? 0.4032 0.2475 0.2785 -0.0828 0.0085  0.0455  132 LYS C C   
2708 O O   . LYS C 118 ? 0.4301 0.2347 0.2909 -0.0597 0.0224  0.0452  132 LYS C O   
2709 C CB  . LYS C 118 ? 0.4281 0.2610 0.3940 -0.0885 -0.0389 0.0092  132 LYS C CB  
2710 C CG  . LYS C 118 ? 0.4439 0.2836 0.4328 -0.0866 -0.0519 -0.0081 132 LYS C CG  
2711 C CD  . LYS C 118 ? 0.4530 0.3065 0.4633 -0.0872 -0.0329 -0.0184 132 LYS C CD  
2712 C CE  . LYS C 118 ? 0.4565 0.3199 0.4795 -0.0956 -0.0253 -0.0331 132 LYS C CE  
2713 N NZ  . LYS C 118 ? 0.4644 0.3287 0.4940 -0.1011 -0.0230 -0.0405 132 LYS C NZ  
2714 N N   . VAL C 119 ? 0.4197 0.2708 0.2622 -0.0729 0.0127  0.0774  133 VAL C N   
2715 C CA  . VAL C 119 ? 0.4364 0.3074 0.2798 -0.0666 0.0256  0.0989  133 VAL C CA  
2716 C C   . VAL C 119 ? 0.4631 0.3232 0.2900 -0.0530 -0.0206 0.0951  133 VAL C C   
2717 O O   . VAL C 119 ? 0.4773 0.3236 0.3086 -0.0571 -0.0626 0.0844  133 VAL C O   
2718 C CB  . VAL C 119 ? 0.4373 0.3431 0.3136 -0.0762 0.0698  0.0836  133 VAL C CB  
2719 C CG1 . VAL C 119 ? 0.4521 0.3619 0.3479 -0.0632 0.0604  0.0667  133 VAL C CG1 
2720 C CG2 . VAL C 119 ? 0.4284 0.3504 0.3266 -0.0813 0.0872  0.0650  133 VAL C CG2 
2721 N N   . LYS C 120 ? 0.4836 0.3463 0.3289 -0.0451 0.0024  0.0776  134 LYS C N   
2722 C CA  . LYS C 120 ? 0.5132 0.3675 0.3486 -0.0338 0.0054  0.0667  134 LYS C CA  
2723 C C   . LYS C 120 ? 0.5454 0.3810 0.3340 -0.0701 0.0376  0.0704  134 LYS C C   
2724 O O   . LYS C 120 ? 0.5567 0.3934 0.3363 -0.0769 0.0535  0.0782  134 LYS C O   
2725 C CB  . LYS C 120 ? 0.5235 0.3790 0.3706 0.0012  -0.0216 0.0541  134 LYS C CB  
2726 C CG  . LYS C 120 ? 0.5331 0.3919 0.4004 0.0259  -0.0188 0.0466  134 LYS C CG  
2727 C CD  . LYS C 120 ? 0.5358 0.4032 0.4277 0.0386  -0.0182 0.0346  134 LYS C CD  
2728 C CE  . LYS C 120 ? 0.5386 0.4096 0.4494 0.0405  -0.0173 0.0330  134 LYS C CE  
2729 N NZ  . LYS C 120 ? 0.5361 0.4121 0.4696 0.0413  -0.0207 0.0385  134 LYS C NZ  
2730 N N   . PRO C 121 ? 0.5681 0.3760 0.3145 -0.0882 0.0641  0.0606  135 PRO C N   
2731 C CA  . PRO C 121 ? 0.5945 0.3858 0.3306 -0.0772 0.0626  0.0452  135 PRO C CA  
2732 C C   . PRO C 121 ? 0.6336 0.4017 0.3452 -0.0533 0.0496  0.0223  135 PRO C C   
2733 O O   . PRO C 121 ? 0.6484 0.4123 0.3621 -0.0497 0.0206  0.0238  135 PRO C O   
2734 C CB  . PRO C 121 ? 0.5794 0.3835 0.3346 -0.0854 0.0741  0.0412  135 PRO C CB  
2735 C CG  . PRO C 121 ? 0.5710 0.3814 0.3223 -0.0876 0.0650  0.0417  135 PRO C CG  
2736 C CD  . PRO C 121 ? 0.5669 0.3780 0.3153 -0.0892 0.0647  0.0515  135 PRO C CD  
2737 O OXT . PRO C 121 ? 0.6574 0.4037 0.3564 -0.0461 0.0528  0.0062  135 PRO C OXT 
2738 N N   . GLY D 2   ? 0.3271 0.3581 0.3175 0.0148  -0.0548 0.0706  16  GLY D N   
2739 C CA  . GLY D 2   ? 0.3235 0.3487 0.2872 0.0076  -0.0388 0.0727  16  GLY D CA  
2740 C C   . GLY D 2   ? 0.3010 0.3355 0.2162 -0.0084 -0.0150 0.0748  16  GLY D C   
2741 O O   . GLY D 2   ? 0.3164 0.3407 0.2158 -0.0242 -0.0033 0.0638  16  GLY D O   
2742 N N   . ILE D 3   ? 0.2777 0.3241 0.1839 -0.0097 -0.0023 0.0617  17  ILE D N   
2743 C CA  . ILE D 3   ? 0.2555 0.2949 0.1650 -0.0229 0.0008  0.0466  17  ILE D CA  
2744 C C   . ILE D 3   ? 0.2470 0.2779 0.1431 -0.0420 -0.0144 0.0272  17  ILE D C   
2745 O O   . ILE D 3   ? 0.2463 0.2608 0.1562 -0.0532 -0.0224 0.0181  17  ILE D O   
2746 C CB  . ILE D 3   ? 0.2557 0.2842 0.1592 -0.0287 0.0321  0.0301  17  ILE D CB  
2747 C CG1 . ILE D 3   ? 0.2491 0.2823 0.1984 -0.0266 0.0552  0.0229  17  ILE D CG1 
2748 C CG2 . ILE D 3   ? 0.2663 0.2891 0.1317 -0.0348 -0.0059 0.0329  17  ILE D CG2 
2749 C CD1 . ILE D 3   ? 0.2375 0.2923 0.2079 -0.0111 0.0709  0.0179  17  ILE D CD1 
2750 N N   . THR D 4   ? 0.2511 0.2764 0.1379 -0.0533 -0.0020 0.0282  18  THR D N   
2751 C CA  . THR D 4   ? 0.2714 0.2918 0.1272 -0.0758 -0.0055 0.0128  18  THR D CA  
2752 C C   . THR D 4   ? 0.2784 0.2852 0.1399 -0.0870 0.0106  0.0281  18  THR D C   
2753 O O   . THR D 4   ? 0.2881 0.2900 0.1398 -0.0943 0.0082  0.0324  18  THR D O   
2754 C CB  . THR D 4   ? 0.2869 0.3102 0.1391 -0.0791 -0.0141 0.0034  18  THR D CB  
2755 O OG1 . THR D 4   ? 0.2720 0.3277 0.1402 -0.1012 -0.0120 0.0152  18  THR D OG1 
2756 C CG2 . THR D 4   ? 0.3083 0.3055 0.1378 -0.0729 0.0051  0.0077  18  THR D CG2 
2757 N N   . GLY D 5   ? 0.2663 0.2708 0.1187 -0.0720 0.0124  0.0226  19  GLY D N   
2758 C CA  . GLY D 5   ? 0.2663 0.2529 0.1185 -0.0612 -0.0085 0.0228  19  GLY D CA  
2759 C C   . GLY D 5   ? 0.2697 0.2451 0.0995 -0.0525 -0.0117 0.0098  19  GLY D C   
2760 O O   . GLY D 5   ? 0.2517 0.2324 0.1260 -0.0379 0.0040  0.0089  19  GLY D O   
2761 N N   . THR D 6   ? 0.2738 0.2570 0.1148 -0.0567 -0.0047 0.0260  20  THR D N   
2762 C CA  . THR D 6   ? 0.2710 0.2647 0.0916 -0.0573 0.0167  0.0125  20  THR D CA  
2763 C C   . THR D 6   ? 0.2700 0.2313 0.1075 -0.0390 0.0220  0.0367  20  THR D C   
2764 O O   . THR D 6   ? 0.2870 0.2475 0.1198 -0.0186 0.0224  0.0502  20  THR D O   
2765 C CB  . THR D 6   ? 0.2711 0.3064 0.1123 -0.0785 0.0229  -0.0301 20  THR D CB  
2766 O OG1 . THR D 6   ? 0.2930 0.3260 0.1698 -0.0827 0.0209  -0.0765 20  THR D OG1 
2767 C CG2 . THR D 6   ? 0.2582 0.3049 0.1265 -0.0862 0.0207  -0.0233 20  THR D CG2 
2768 N N   . TRP D 7   ? 0.2627 0.2062 0.0982 -0.0279 0.0162  0.0175  21  TRP D N   
2769 C CA  . TRP D 7   ? 0.2556 0.1983 0.0955 -0.0187 0.0071  -0.0058 21  TRP D CA  
2770 C C   . TRP D 7   ? 0.2459 0.1960 0.1306 -0.0237 0.0065  -0.0019 21  TRP D C   
2771 O O   . TRP D 7   ? 0.2467 0.2007 0.1499 -0.0288 0.0131  0.0170  21  TRP D O   
2772 C CB  . TRP D 7   ? 0.2593 0.2051 0.1166 -0.0143 0.0169  -0.0141 21  TRP D CB  
2773 C CG  . TRP D 7   ? 0.2571 0.2052 0.1283 -0.0120 0.0044  -0.0088 21  TRP D CG  
2774 C CD1 . TRP D 7   ? 0.2591 0.2178 0.1463 -0.0069 -0.0135 0.0038  21  TRP D CD1 
2775 C CD2 . TRP D 7   ? 0.2505 0.2171 0.1332 -0.0133 0.0103  0.0181  21  TRP D CD2 
2776 N NE1 . TRP D 7   ? 0.2651 0.2268 0.1512 -0.0083 -0.0136 0.0303  21  TRP D NE1 
2777 C CE2 . TRP D 7   ? 0.2612 0.2213 0.1393 -0.0032 -0.0020 0.0318  21  TRP D CE2 
2778 C CE3 . TRP D 7   ? 0.2610 0.2293 0.1327 -0.0010 0.0094  0.0243  21  TRP D CE3 
2779 C CZ2 . TRP D 7   ? 0.2625 0.2257 0.1643 0.0060  0.0073  0.0088  21  TRP D CZ2 
2780 C CZ3 . TRP D 7   ? 0.2641 0.2366 0.1237 -0.0048 0.0024  0.0089  21  TRP D CZ3 
2781 C CH2 . TRP D 7   ? 0.2661 0.2367 0.1181 -0.0056 0.0053  -0.0073 21  TRP D CH2 
2782 N N   . TYR D 8   ? 0.2381 0.2028 0.1304 -0.0388 0.0181  -0.0044 22  TYR D N   
2783 C CA  . TYR D 8   ? 0.2484 0.2116 0.1158 -0.0361 0.0357  -0.0102 22  TYR D CA  
2784 C C   . TYR D 8   ? 0.2649 0.2226 0.1326 -0.0305 0.0441  0.0010  22  TYR D C   
2785 O O   . TYR D 8   ? 0.2607 0.2149 0.1490 -0.0341 0.0327  0.0097  22  TYR D O   
2786 C CB  . TYR D 8   ? 0.2292 0.2312 0.1162 -0.0395 0.0454  -0.0030 22  TYR D CB  
2787 C CG  . TYR D 8   ? 0.2304 0.2442 0.1233 -0.0197 0.0261  -0.0119 22  TYR D CG  
2788 C CD1 . TYR D 8   ? 0.2448 0.2712 0.1629 -0.0074 0.0437  0.0004  22  TYR D CD1 
2789 C CD2 . TYR D 8   ? 0.2528 0.2475 0.1186 -0.0203 0.0217  -0.0027 22  TYR D CD2 
2790 C CE1 . TYR D 8   ? 0.2530 0.2786 0.1538 0.0091  0.0457  0.0075  22  TYR D CE1 
2791 C CE2 . TYR D 8   ? 0.2657 0.2567 0.1373 0.0024  0.0314  -0.0045 22  TYR D CE2 
2792 C CZ  . TYR D 8   ? 0.2656 0.2651 0.1410 0.0105  0.0297  -0.0206 22  TYR D CZ  
2793 O OH  . TYR D 8   ? 0.2911 0.2624 0.1517 0.0312  0.0278  -0.0118 22  TYR D OH  
2794 N N   . ASN D 9   ? 0.2976 0.2393 0.1228 -0.0069 0.0173  0.0020  23  ASN D N   
2795 C CA  . ASN D 9   ? 0.3273 0.2662 0.1308 -0.0209 0.0320  0.0076  23  ASN D CA  
2796 C C   . ASN D 9   ? 0.3436 0.2918 0.1777 -0.0433 0.0139  -0.0205 23  ASN D C   
2797 O O   . ASN D 9   ? 0.3369 0.2979 0.2229 -0.0497 0.0166  -0.0323 23  ASN D O   
2798 C CB  . ASN D 9   ? 0.3452 0.2708 0.1334 -0.0037 0.0305  0.0071  23  ASN D CB  
2799 C CG  . ASN D 9   ? 0.3693 0.2880 0.1313 0.0202  0.0307  -0.0074 23  ASN D CG  
2800 O OD1 . ASN D 9   ? 0.3510 0.2935 0.1823 0.0135  -0.0375 -0.0054 23  ASN D OD1 
2801 N ND2 . ASN D 9   ? 0.4112 0.3119 0.1576 0.0604  0.0476  -0.0121 23  ASN D ND2 
2802 N N   . GLN D 10  ? 0.3536 0.3106 0.1935 -0.0601 -0.0015 -0.0502 24  GLN D N   
2803 C CA  . GLN D 10  ? 0.3750 0.3458 0.2397 -0.0553 -0.0009 -0.0606 24  GLN D CA  
2804 C C   . GLN D 10  ? 0.4169 0.3679 0.3417 -0.0659 0.0011  -0.0822 24  GLN D C   
2805 O O   . GLN D 10  ? 0.4417 0.3768 0.4034 -0.0821 -0.0010 -0.0737 24  GLN D O   
2806 C CB  . GLN D 10  ? 0.3765 0.3497 0.2143 -0.0382 0.0047  -0.0508 24  GLN D CB  
2807 C CG  . GLN D 10  ? 0.3736 0.3415 0.2213 -0.0466 -0.0129 -0.0270 24  GLN D CG  
2808 C CD  . GLN D 10  ? 0.3613 0.3360 0.1876 -0.0403 -0.0022 -0.0155 24  GLN D CD  
2809 O OE1 . GLN D 10  ? 0.3614 0.3167 0.1555 -0.0463 0.0016  -0.0397 24  GLN D OE1 
2810 N NE2 . GLN D 10  ? 0.3544 0.3450 0.2510 -0.0264 -0.0355 0.0142  24  GLN D NE2 
2811 N N   . LEU D 11  ? 0.4284 0.3661 0.3549 -0.0463 0.0228  -0.1061 25  LEU D N   
2812 C CA  . LEU D 11  ? 0.4417 0.3766 0.3838 -0.0405 0.0373  -0.1121 25  LEU D CA  
2813 C C   . LEU D 11  ? 0.4588 0.3824 0.4111 -0.0300 0.0453  -0.1129 25  LEU D C   
2814 O O   . LEU D 11  ? 0.4726 0.3953 0.4500 -0.0226 0.0293  -0.0964 25  LEU D O   
2815 C CB  . LEU D 11  ? 0.4346 0.3826 0.3923 -0.0350 0.0516  -0.0940 25  LEU D CB  
2816 C CG  . LEU D 11  ? 0.4494 0.3887 0.4165 -0.0357 0.0632  -0.0853 25  LEU D CG  
2817 C CD1 . LEU D 11  ? 0.4603 0.3926 0.4240 -0.0368 0.0593  -0.0664 25  LEU D CD1 
2818 C CD2 . LEU D 11  ? 0.4502 0.3869 0.4211 -0.0381 0.0603  -0.0962 25  LEU D CD2 
2819 N N   . GLY D 12  ? 0.4476 0.3649 0.3647 -0.0345 0.0725  -0.1452 26  GLY D N   
2820 C CA  . GLY D 12  ? 0.4455 0.3658 0.3675 -0.0368 0.0594  -0.1381 26  GLY D CA  
2821 C C   . GLY D 12  ? 0.4242 0.3564 0.3323 -0.0381 0.0384  -0.1331 26  GLY D C   
2822 O O   . GLY D 12  ? 0.4467 0.3642 0.3946 -0.0336 0.0719  -0.1405 26  GLY D O   
2823 N N   . SER D 13  ? 0.3636 0.3379 0.2373 -0.0400 -0.0006 -0.0980 27  SER D N   
2824 C CA  . SER D 13  ? 0.3316 0.3260 0.1961 -0.0180 -0.0311 -0.0589 27  SER D CA  
2825 C C   . SER D 13  ? 0.2946 0.3183 0.1810 0.0003  -0.0235 -0.0419 27  SER D C   
2826 O O   . SER D 13  ? 0.3119 0.3258 0.1947 0.0214  -0.0291 -0.0358 27  SER D O   
2827 C CB  . SER D 13  ? 0.3472 0.3315 0.1852 -0.0162 -0.0561 -0.0301 27  SER D CB  
2828 O OG  . SER D 13  ? 0.3632 0.3447 0.1910 -0.0146 -0.0929 -0.0263 27  SER D OG  
2829 N N   . THR D 14  ? 0.2572 0.3063 0.1565 -0.0084 -0.0309 -0.0548 28  THR D N   
2830 C CA  . THR D 14  ? 0.2710 0.3146 0.1721 -0.0178 -0.0029 -0.0272 28  THR D CA  
2831 C C   . THR D 14  ? 0.2677 0.2638 0.1667 -0.0188 -0.0240 -0.0108 28  THR D C   
2832 O O   . THR D 14  ? 0.2928 0.2770 0.2227 0.0259  -0.0521 0.0000  28  THR D O   
2833 C CB  . THR D 14  ? 0.2990 0.3650 0.1770 -0.0263 -0.0062 -0.0165 28  THR D CB  
2834 O OG1 . THR D 14  ? 0.3245 0.3861 0.2497 -0.0234 0.0054  -0.0170 28  THR D OG1 
2835 C CG2 . THR D 14  ? 0.2977 0.3872 0.1764 -0.0453 -0.0099 0.0123  28  THR D CG2 
2836 N N   A PHE D 15  ? 0.2656 0.2391 0.1528 -0.0194 -0.0216 -0.0039 29  PHE D N   
2837 N N   B PHE D 15  ? 0.2443 0.2429 0.1472 -0.0158 -0.0208 -0.0152 29  PHE D N   
2838 C CA  A PHE D 15  ? 0.2669 0.2231 0.1282 -0.0160 -0.0121 0.0069  29  PHE D CA  
2839 C CA  B PHE D 15  ? 0.2352 0.2336 0.1221 -0.0051 -0.0204 -0.0126 29  PHE D CA  
2840 C C   A PHE D 15  ? 0.2563 0.2072 0.1075 0.0016  -0.0127 -0.0040 29  PHE D C   
2841 C C   B PHE D 15  ? 0.2366 0.2332 0.1047 -0.0131 0.0017  -0.0037 29  PHE D C   
2842 O O   A PHE D 15  ? 0.2667 0.1794 0.0777 0.0107  -0.0259 -0.0067 29  PHE D O   
2843 O O   B PHE D 15  ? 0.2711 0.2421 0.1435 -0.0041 0.0161  0.0151  29  PHE D O   
2844 C CB  A PHE D 15  ? 0.2615 0.2274 0.1129 -0.0042 0.0137  0.0064  29  PHE D CB  
2845 C CB  B PHE D 15  ? 0.2315 0.2303 0.1528 -0.0015 -0.0201 -0.0134 29  PHE D CB  
2846 C CG  A PHE D 15  ? 0.2520 0.2318 0.1334 0.0037  -0.0010 0.0149  29  PHE D CG  
2847 C CG  B PHE D 15  ? 0.2382 0.2276 0.1457 -0.0045 -0.0139 -0.0150 29  PHE D CG  
2848 C CD1 A PHE D 15  ? 0.2423 0.2316 0.1707 -0.0021 0.0091  0.0099  29  PHE D CD1 
2849 C CD1 B PHE D 15  ? 0.2391 0.2336 0.1435 -0.0111 -0.0112 -0.0141 29  PHE D CD1 
2850 C CD2 A PHE D 15  ? 0.2433 0.2371 0.1344 0.0063  0.0353  0.0144  29  PHE D CD2 
2851 C CD2 B PHE D 15  ? 0.2323 0.2358 0.1551 -0.0090 -0.0149 -0.0068 29  PHE D CD2 
2852 C CE1 A PHE D 15  ? 0.2248 0.2368 0.1736 0.0037  0.0355  -0.0032 29  PHE D CE1 
2853 C CE1 B PHE D 15  ? 0.2517 0.2352 0.1322 -0.0082 -0.0271 -0.0081 29  PHE D CE1 
2854 C CE2 A PHE D 15  ? 0.2317 0.2352 0.1235 0.0041  0.0399  0.0081  29  PHE D CE2 
2855 C CE2 B PHE D 15  ? 0.2346 0.2331 0.1470 -0.0046 -0.0204 -0.0119 29  PHE D CE2 
2856 C CZ  A PHE D 15  ? 0.2226 0.2393 0.1461 -0.0011 0.0347  0.0086  29  PHE D CZ  
2857 C CZ  B PHE D 15  ? 0.2418 0.2348 0.1324 -0.0090 -0.0306 -0.0251 29  PHE D CZ  
2858 N N   A ILE D 16  ? 0.2381 0.2121 0.1144 0.0031  0.0064  0.0031  30  ILE D N   
2859 N N   B ILE D 16  ? 0.2120 0.2334 0.0961 -0.0190 0.0221  -0.0152 30  ILE D N   
2860 C CA  A ILE D 16  ? 0.2422 0.2328 0.1366 -0.0013 0.0291  -0.0188 30  ILE D CA  
2861 C CA  B ILE D 16  ? 0.1968 0.2283 0.1160 -0.0292 0.0274  -0.0188 30  ILE D CA  
2862 C C   A ILE D 16  ? 0.2495 0.2308 0.1653 -0.0171 0.0628  -0.0132 30  ILE D C   
2863 C C   B ILE D 16  ? 0.1970 0.2173 0.1148 -0.0312 0.0511  -0.0086 30  ILE D C   
2864 O O   A ILE D 16  ? 0.2635 0.2442 0.1742 -0.0141 0.0640  -0.0018 30  ILE D O   
2865 O O   B ILE D 16  ? 0.1906 0.2126 0.0932 -0.0319 0.0308  -0.0032 30  ILE D O   
2866 C CB  A ILE D 16  ? 0.2651 0.2548 0.1366 0.0176  -0.0093 -0.0185 30  ILE D CB  
2867 C CB  B ILE D 16  ? 0.2047 0.2347 0.1494 -0.0343 -0.0115 -0.0302 30  ILE D CB  
2868 C CG1 A ILE D 16  ? 0.2772 0.2689 0.1189 0.0114  -0.0354 -0.0351 30  ILE D CG1 
2869 C CG1 B ILE D 16  ? 0.2267 0.2515 0.2113 -0.0197 -0.0189 -0.0364 30  ILE D CG1 
2870 C CG2 A ILE D 16  ? 0.2724 0.2647 0.1852 0.0219  -0.0199 -0.0140 30  ILE D CG2 
2871 C CG2 B ILE D 16  ? 0.1958 0.2367 0.1283 -0.0286 -0.0520 -0.0306 30  ILE D CG2 
2872 C CD1 A ILE D 16  ? 0.2845 0.2755 0.1564 0.0046  -0.0284 -0.0598 30  ILE D CD1 
2873 C CD1 B ILE D 16  ? 0.2505 0.2584 0.2525 -0.0190 -0.0167 -0.0451 30  ILE D CD1 
2874 N N   . VAL D 17  ? 0.2355 0.2232 0.1666 -0.0266 0.0498  -0.0068 31  VAL D N   
2875 C CA  . VAL D 17  ? 0.2346 0.2201 0.1647 -0.0332 0.0422  -0.0001 31  VAL D CA  
2876 C C   . VAL D 17  ? 0.2461 0.2204 0.1644 -0.0476 0.0329  -0.0106 31  VAL D C   
2877 O O   . VAL D 17  ? 0.2509 0.2230 0.1793 -0.0404 0.0096  0.0048  31  VAL D O   
2878 C CB  . VAL D 17  ? 0.2443 0.2147 0.1569 -0.0071 0.0332  0.0122  31  VAL D CB  
2879 C CG1 . VAL D 17  ? 0.2582 0.2180 0.1587 0.0082  0.0280  0.0019  31  VAL D CG1 
2880 C CG2 . VAL D 17  ? 0.2492 0.2227 0.1747 -0.0114 0.0588  0.0321  31  VAL D CG2 
2881 N N   . THR D 18  ? 0.2618 0.2374 0.1800 -0.0616 0.0391  -0.0260 32  THR D N   
2882 C CA  . THR D 18  ? 0.2614 0.2529 0.1687 -0.0634 0.0465  -0.0432 32  THR D CA  
2883 C C   . THR D 18  ? 0.2442 0.2596 0.1572 -0.0659 0.0210  -0.0141 32  THR D C   
2884 O O   . THR D 18  ? 0.2371 0.2529 0.1712 -0.0659 0.0150  0.0084  32  THR D O   
2885 C CB  . THR D 18  ? 0.2947 0.2826 0.2055 -0.0639 0.0655  -0.0595 32  THR D CB  
2886 O OG1 . THR D 18  ? 0.3107 0.3087 0.2498 -0.0676 0.0897  -0.0469 32  THR D OG1 
2887 C CG2 . THR D 18  ? 0.3116 0.2907 0.2361 -0.0606 0.0675  -0.0530 32  THR D CG2 
2888 N N   . ALA D 19  ? 0.2624 0.2745 0.1427 -0.0719 0.0090  -0.0093 33  ALA D N   
2889 C CA  . ALA D 19  ? 0.2834 0.2846 0.1376 -0.0611 0.0171  0.0072  33  ALA D CA  
2890 C C   . ALA D 19  ? 0.2953 0.3029 0.1424 -0.0641 0.0139  0.0237  33  ALA D C   
2891 O O   . ALA D 19  ? 0.3260 0.3255 0.1889 -0.0582 -0.0136 0.0452  33  ALA D O   
2892 C CB  . ALA D 19  ? 0.3103 0.2848 0.1617 -0.0405 0.0167  0.0041  33  ALA D CB  
2893 N N   . GLY D 20  ? 0.2982 0.2980 0.1264 -0.0656 0.0021  -0.0053 34  GLY D N   
2894 C CA  . GLY D 20  ? 0.3188 0.3195 0.1346 -0.0725 -0.0094 -0.0131 34  GLY D CA  
2895 C C   . GLY D 20  ? 0.3022 0.3433 0.1132 -0.0645 -0.0152 0.0008  34  GLY D C   
2896 O O   . GLY D 20  ? 0.2867 0.3487 0.1321 -0.0494 -0.0127 0.0263  34  GLY D O   
2897 N N   . ALA D 21  ? 0.3141 0.3731 0.1405 -0.0698 -0.0081 -0.0033 35  ALA D N   
2898 C CA  . ALA D 21  ? 0.3217 0.4084 0.1703 -0.0590 -0.0256 -0.0129 35  ALA D CA  
2899 C C   . ALA D 21  ? 0.3292 0.4361 0.1997 -0.0563 -0.0313 -0.0152 35  ALA D C   
2900 O O   . ALA D 21  ? 0.3546 0.4543 0.2384 -0.0448 -0.0275 -0.0419 35  ALA D O   
2901 C CB  . ALA D 21  ? 0.3221 0.4123 0.1738 -0.0529 -0.0553 -0.0165 35  ALA D CB  
2902 N N   . ASP D 22  ? 0.3115 0.4338 0.1689 -0.0744 -0.0524 0.0119  36  ASP D N   
2903 C CA  . ASP D 22  ? 0.3472 0.4265 0.2206 -0.0780 -0.0363 0.0235  36  ASP D CA  
2904 C C   . ASP D 22  ? 0.3168 0.4008 0.1958 -0.0897 -0.0148 0.0167  36  ASP D C   
2905 O O   . ASP D 22  ? 0.3467 0.4189 0.2049 -0.1199 0.0182  0.0115  36  ASP D O   
2906 C CB  . ASP D 22  ? 0.3759 0.4302 0.3169 -0.0703 -0.0403 0.0233  36  ASP D CB  
2907 C CG  . ASP D 22  ? 0.3754 0.4283 0.4143 -0.0607 -0.0405 0.0235  36  ASP D CG  
2908 O OD1 . ASP D 22  ? 0.3311 0.4121 0.4159 -0.0771 -0.0340 0.0039  36  ASP D OD1 
2909 O OD2 . ASP D 22  ? 0.4022 0.4330 0.4477 -0.0454 -0.0374 0.0345  36  ASP D OD2 
2910 N N   . GLY D 23  ? 0.2593 0.3432 0.1492 -0.0814 -0.0156 0.0011  37  GLY D N   
2911 C CA  . GLY D 23  ? 0.2244 0.3011 0.1521 -0.0588 -0.0175 -0.0020 37  GLY D CA  
2912 C C   . GLY D 23  ? 0.2324 0.2479 0.1201 -0.0407 0.0022  0.0093  37  GLY D C   
2913 O O   . GLY D 23  ? 0.2666 0.2229 0.1305 -0.0263 -0.0153 -0.0040 37  GLY D O   
2914 N N   . ALA D 24  ? 0.2339 0.2385 0.1437 -0.0332 0.0267  -0.0072 38  ALA D N   
2915 C CA  . ALA D 24  ? 0.2491 0.2248 0.1499 -0.0170 0.0218  -0.0069 38  ALA D CA  
2916 C C   . ALA D 24  ? 0.2208 0.2218 0.1295 -0.0244 -0.0030 0.0027  38  ALA D C   
2917 O O   . ALA D 24  ? 0.2430 0.2418 0.1439 -0.0301 -0.0245 0.0219  38  ALA D O   
2918 C CB  . ALA D 24  ? 0.2695 0.2087 0.1734 -0.0150 0.0287  -0.0122 38  ALA D CB  
2919 N N   . LEU D 25  ? 0.2035 0.1949 0.1290 -0.0145 0.0087  -0.0088 39  LEU D N   
2920 C CA  . LEU D 25  ? 0.2289 0.1927 0.1335 -0.0214 0.0084  -0.0059 39  LEU D CA  
2921 C C   . LEU D 25  ? 0.2267 0.2098 0.1151 -0.0199 0.0313  -0.0151 39  LEU D C   
2922 O O   . LEU D 25  ? 0.2415 0.2183 0.1141 -0.0194 0.0266  -0.0227 39  LEU D O   
2923 C CB  . LEU D 25  ? 0.2428 0.1868 0.1206 -0.0187 -0.0106 -0.0039 39  LEU D CB  
2924 C CG  . LEU D 25  ? 0.2636 0.1834 0.1431 -0.0159 -0.0052 0.0051  39  LEU D CG  
2925 C CD1 . LEU D 25  ? 0.2795 0.1908 0.1591 -0.0254 -0.0169 -0.0063 39  LEU D CD1 
2926 C CD2 . LEU D 25  ? 0.2739 0.1903 0.1513 0.0009  0.0040  0.0195  39  LEU D CD2 
2927 N N   . THR D 26  ? 0.2287 0.2080 0.1359 -0.0335 0.0371  -0.0084 40  THR D N   
2928 C CA  . THR D 26  ? 0.2571 0.2070 0.1420 -0.0519 0.0349  -0.0356 40  THR D CA  
2929 C C   . THR D 26  ? 0.2382 0.2203 0.1462 -0.0440 0.0269  -0.0037 40  THR D C   
2930 O O   . THR D 26  ? 0.2233 0.2164 0.2552 -0.0534 0.0203  0.0344  40  THR D O   
2931 C CB  . THR D 26  ? 0.2970 0.2220 0.1465 -0.0650 0.0367  -0.0396 40  THR D CB  
2932 O OG1 . THR D 26  ? 0.3182 0.2337 0.1668 -0.0657 0.0331  -0.0322 40  THR D OG1 
2933 C CG2 . THR D 26  ? 0.2943 0.2172 0.1678 -0.0751 0.0662  -0.0570 40  THR D CG2 
2934 N N   . GLY D 27  ? 0.2371 0.2282 0.1252 -0.0465 0.0142  -0.0066 41  GLY D N   
2935 C CA  . GLY D 27  ? 0.2349 0.2354 0.1389 -0.0231 0.0008  -0.0176 41  GLY D CA  
2936 C C   . GLY D 27  ? 0.2192 0.2212 0.1111 -0.0242 -0.0023 -0.0332 41  GLY D C   
2937 O O   . GLY D 27  ? 0.1995 0.2273 0.1521 -0.0096 0.0174  -0.0348 41  GLY D O   
2938 N N   A THR D 28  ? 0.2258 0.2187 0.1334 -0.0231 -0.0018 -0.0345 42  THR D N   
2939 N N   B THR D 28  ? 0.2343 0.2126 0.1389 -0.0257 -0.0147 -0.0428 42  THR D N   
2940 C CA  A THR D 28  ? 0.2250 0.2204 0.1528 -0.0180 0.0155  -0.0370 42  THR D CA  
2941 C CA  B THR D 28  ? 0.2511 0.2133 0.1585 -0.0267 0.0101  -0.0549 42  THR D CA  
2942 C C   A THR D 28  ? 0.2251 0.2136 0.1492 -0.0183 0.0269  -0.0287 42  THR D C   
2943 C C   B THR D 28  ? 0.2474 0.2059 0.1541 -0.0267 0.0207  -0.0231 42  THR D C   
2944 O O   A THR D 28  ? 0.2321 0.2197 0.1466 -0.0180 0.0192  -0.0224 42  THR D O   
2945 O O   B THR D 28  ? 0.2650 0.2132 0.1710 -0.0242 0.0002  -0.0219 42  THR D O   
2946 C CB  A THR D 28  ? 0.2201 0.2258 0.1778 -0.0133 0.0256  -0.0353 42  THR D CB  
2947 C CB  B THR D 28  ? 0.2634 0.2191 0.1906 -0.0345 0.0230  -0.0701 42  THR D CB  
2948 O OG1 A THR D 28  ? 0.2281 0.2279 0.1918 -0.0105 0.0380  -0.0317 42  THR D OG1 
2949 O OG1 B THR D 28  ? 0.2652 0.2274 0.2186 -0.0340 0.0392  -0.0836 42  THR D OG1 
2950 C CG2 A THR D 28  ? 0.2150 0.2317 0.1861 -0.0102 0.0275  -0.0387 42  THR D CG2 
2951 C CG2 B THR D 28  ? 0.2877 0.2256 0.2025 -0.0348 0.0288  -0.0681 42  THR D CG2 
2952 N N   . TYR D 29  ? 0.2289 0.2065 0.1466 -0.0132 0.0407  -0.0442 43  TYR D N   
2953 C CA  . TYR D 29  ? 0.2375 0.2148 0.1524 -0.0151 0.0303  -0.0452 43  TYR D CA  
2954 C C   . TYR D 29  ? 0.2244 0.2252 0.1769 -0.0026 0.0170  -0.0398 43  TYR D C   
2955 O O   . TYR D 29  ? 0.2234 0.2190 0.2019 0.0064  0.0076  -0.0403 43  TYR D O   
2956 C CB  . TYR D 29  ? 0.2673 0.2001 0.1471 -0.0260 0.0386  -0.0511 43  TYR D CB  
2957 C CG  . TYR D 29  ? 0.2812 0.1984 0.1386 -0.0152 0.0384  -0.0245 43  TYR D CG  
2958 C CD1 . TYR D 29  ? 0.3000 0.2069 0.1350 -0.0176 -0.0013 -0.0175 43  TYR D CD1 
2959 C CD2 . TYR D 29  ? 0.2899 0.1944 0.1523 -0.0062 0.0605  -0.0186 43  TYR D CD2 
2960 C CE1 . TYR D 29  ? 0.3261 0.2099 0.1234 -0.0062 0.0168  -0.0277 43  TYR D CE1 
2961 C CE2 . TYR D 29  ? 0.3030 0.1991 0.1190 -0.0267 0.0590  -0.0170 43  TYR D CE2 
2962 C CZ  . TYR D 29  ? 0.3349 0.1981 0.1327 -0.0199 0.0476  -0.0162 43  TYR D CZ  
2963 O OH  . TYR D 29  ? 0.3501 0.1868 0.1664 -0.0057 0.0483  -0.0039 43  TYR D OH  
2964 N N   . GLU D 30  ? 0.2259 0.2427 0.1720 -0.0066 -0.0057 -0.0193 44  GLU D N   
2965 C CA  . GLU D 30  ? 0.2681 0.2703 0.2333 0.0106  0.0194  -0.0169 44  GLU D CA  
2966 C C   . GLU D 30  ? 0.2715 0.2754 0.2815 0.0062  -0.0019 -0.0233 44  GLU D C   
2967 O O   . GLU D 30  ? 0.2450 0.2607 0.2798 0.0256  -0.0044 -0.0348 44  GLU D O   
2968 C CB  . GLU D 30  ? 0.3276 0.3041 0.2757 0.0288  0.0286  -0.0083 44  GLU D CB  
2969 C CG  . GLU D 30  ? 0.3924 0.3259 0.3057 0.0253  0.0251  -0.0064 44  GLU D CG  
2970 C CD  . GLU D 30  ? 0.4591 0.3477 0.3422 0.0192  0.0393  -0.0015 44  GLU D CD  
2971 O OE1 . GLU D 30  ? 0.4834 0.3561 0.3532 0.0287  0.0477  -0.0050 44  GLU D OE1 
2972 O OE2 . GLU D 30  ? 0.4897 0.3705 0.3685 0.0075  0.0480  0.0014  44  GLU D OE2 
2973 N N   . SER D 31  ? 0.3056 0.2818 0.3186 -0.0034 0.0055  -0.0380 45  SER D N   
2974 C CA  . SER D 31  ? 0.3330 0.2888 0.3511 -0.0134 0.0029  -0.0512 45  SER D CA  
2975 C C   . SER D 31  ? 0.3579 0.3011 0.3923 -0.0186 0.0086  -0.0347 45  SER D C   
2976 O O   . SER D 31  ? 0.3634 0.2994 0.4051 -0.0118 0.0079  -0.0188 45  SER D O   
2977 C CB  . SER D 31  ? 0.3368 0.2984 0.3801 0.0041  -0.0058 -0.0621 45  SER D CB  
2978 O OG  . SER D 31  ? 0.3457 0.3140 0.4023 -0.0038 -0.0143 -0.0430 45  SER D OG  
2979 N N   . ALA D 32  ? 0.3834 0.3130 0.4360 -0.0181 0.0346  -0.0156 46  ALA D N   
2980 C CA  . ALA D 32  ? 0.4000 0.3318 0.4694 -0.0167 0.0552  -0.0097 46  ALA D CA  
2981 C C   . ALA D 32  ? 0.4240 0.3537 0.4902 -0.0084 0.0561  -0.0131 46  ALA D C   
2982 O O   . ALA D 32  ? 0.4445 0.3590 0.5217 -0.0113 0.0549  -0.0103 46  ALA D O   
2983 C CB  . ALA D 32  ? 0.3943 0.3297 0.4787 -0.0242 0.0581  -0.0117 46  ALA D CB  
2984 N N   . VAL D 33  ? 0.4303 0.3677 0.4878 0.0015  0.0540  -0.0203 47  VAL D N   
2985 C CA  . VAL D 33  ? 0.4469 0.3788 0.4817 0.0099  0.0501  -0.0315 47  VAL D CA  
2986 C C   . VAL D 33  ? 0.4506 0.3784 0.4560 0.0068  0.0439  -0.0318 47  VAL D C   
2987 O O   . VAL D 33  ? 0.4716 0.3779 0.4449 -0.0033 0.0534  -0.0284 47  VAL D O   
2988 C CB  . VAL D 33  ? 0.4574 0.3959 0.4967 0.0153  0.0451  -0.0368 47  VAL D CB  
2989 C CG1 . VAL D 33  ? 0.4650 0.3996 0.4958 0.0133  0.0233  -0.0324 47  VAL D CG1 
2990 C CG2 . VAL D 33  ? 0.4640 0.4046 0.5097 0.0232  0.0585  -0.0441 47  VAL D CG2 
2991 N N   . GLY D 34  ? 0.4297 0.3707 0.4313 0.0164  0.0341  -0.0391 48  GLY D N   
2992 C CA  . GLY D 34  ? 0.4174 0.3629 0.4029 0.0226  0.0222  -0.0417 48  GLY D CA  
2993 C C   . GLY D 34  ? 0.3983 0.3525 0.3686 0.0307  0.0260  -0.0495 48  GLY D C   
2994 O O   . GLY D 34  ? 0.4285 0.3583 0.3830 0.0406  0.0399  -0.0430 48  GLY D O   
2995 N N   . ASN D 35  ? 0.3533 0.3369 0.3399 0.0278  0.0309  -0.0445 49  ASN D N   
2996 C CA  . ASN D 35  ? 0.3340 0.3205 0.3275 0.0104  0.0258  -0.0439 49  ASN D CA  
2997 C C   . ASN D 35  ? 0.3081 0.3086 0.2995 0.0057  0.0518  -0.0483 49  ASN D C   
2998 O O   . ASN D 35  ? 0.3002 0.3100 0.2741 0.0024  0.0679  -0.0475 49  ASN D O   
2999 C CB  . ASN D 35  ? 0.3434 0.3156 0.3602 0.0010  0.0287  -0.0516 49  ASN D CB  
3000 C CG  . ASN D 35  ? 0.3618 0.3102 0.3851 0.0000  0.0172  -0.0535 49  ASN D CG  
3001 O OD1 . ASN D 35  ? 0.3574 0.3039 0.3985 -0.0122 -0.0073 -0.0716 49  ASN D OD1 
3002 N ND2 . ASN D 35  ? 0.3798 0.3132 0.3953 -0.0043 0.0274  -0.0254 49  ASN D ND2 
3003 N N   . ALA D 36  ? 0.3068 0.2948 0.3108 0.0074  0.0428  -0.0538 50  ALA D N   
3004 C CA  . ALA D 36  ? 0.2967 0.2820 0.3194 0.0009  0.0382  -0.0696 50  ALA D CA  
3005 C C   . ALA D 36  ? 0.2646 0.2656 0.3088 0.0072  0.0191  -0.0735 50  ALA D C   
3006 O O   . ALA D 36  ? 0.2652 0.2608 0.2864 0.0168  0.0135  -0.0768 50  ALA D O   
3007 C CB  . ALA D 36  ? 0.3098 0.2809 0.3280 -0.0089 0.0529  -0.0799 50  ALA D CB  
3008 N N   . GLU D 37  ? 0.2552 0.2608 0.3299 0.0157  0.0095  -0.0585 51  GLU D N   
3009 C CA  . GLU D 37  ? 0.2495 0.2685 0.3531 0.0161  -0.0071 -0.0518 51  GLU D CA  
3010 C C   . GLU D 37  ? 0.2498 0.2482 0.3076 0.0161  -0.0049 -0.0397 51  GLU D C   
3011 O O   . GLU D 37  ? 0.2533 0.2470 0.3319 0.0080  -0.0223 -0.0139 51  GLU D O   
3012 C CB  . GLU D 37  ? 0.2440 0.2954 0.3927 0.0173  -0.0040 -0.0461 51  GLU D CB  
3013 C CG  . GLU D 37  ? 0.2478 0.3184 0.4046 0.0097  0.0027  -0.0395 51  GLU D CG  
3014 C CD  . GLU D 37  ? 0.2443 0.3338 0.4124 -0.0028 -0.0040 -0.0295 51  GLU D CD  
3015 O OE1 . GLU D 37  ? 0.2412 0.3366 0.4175 -0.0174 -0.0241 -0.0064 51  GLU D OE1 
3016 O OE2 . GLU D 37  ? 0.2410 0.3449 0.4045 -0.0096 -0.0054 -0.0528 51  GLU D OE2 
3017 N N   . SER D 38  ? 0.2400 0.2422 0.2817 0.0152  -0.0188 -0.0280 52  SER D N   
3018 C CA  . SER D 38  ? 0.2732 0.2415 0.2482 -0.0002 -0.0102 -0.0207 52  SER D CA  
3019 C C   . SER D 38  ? 0.2314 0.2431 0.2124 0.0083  -0.0295 -0.0155 52  SER D C   
3020 O O   . SER D 38  ? 0.2210 0.2546 0.2041 0.0271  -0.0186 -0.0287 52  SER D O   
3021 C CB  . SER D 38  ? 0.3322 0.2602 0.2935 -0.0169 0.0389  -0.0290 52  SER D CB  
3022 O OG  . SER D 38  ? 0.3763 0.2784 0.3507 -0.0196 0.0851  -0.0449 52  SER D OG  
3023 N N   . ARG D 39  ? 0.2339 0.2400 0.2196 0.0000  0.0064  -0.0245 53  ARG D N   
3024 C CA  . ARG D 39  ? 0.2309 0.2532 0.1799 0.0096  0.0068  -0.0291 53  ARG D CA  
3025 C C   . ARG D 39  ? 0.2014 0.2321 0.1634 0.0047  0.0251  -0.0339 53  ARG D C   
3026 O O   . ARG D 39  ? 0.1867 0.2393 0.2010 0.0250  0.0290  -0.0368 53  ARG D O   
3027 C CB  . ARG D 39  ? 0.2733 0.2912 0.1900 0.0140  0.0314  -0.0446 53  ARG D CB  
3028 C CG  . ARG D 39  ? 0.3335 0.3279 0.2357 0.0047  0.0349  -0.0489 53  ARG D CG  
3029 C CD  . ARG D 39  ? 0.3854 0.3609 0.2828 0.0014  0.0413  -0.0275 53  ARG D CD  
3030 N NE  . ARG D 39  ? 0.4270 0.3865 0.3201 0.0027  0.0429  -0.0333 53  ARG D NE  
3031 C CZ  . ARG D 39  ? 0.4519 0.4097 0.3679 -0.0107 0.0465  -0.0207 53  ARG D CZ  
3032 N NH1 . ARG D 39  ? 0.4541 0.4210 0.3780 -0.0250 0.0265  -0.0079 53  ARG D NH1 
3033 N NH2 . ARG D 39  ? 0.4690 0.4249 0.3910 -0.0150 0.0503  -0.0175 53  ARG D NH2 
3034 N N   . TYR D 40  ? 0.1915 0.2281 0.1342 0.0095  0.0453  -0.0425 54  TYR D N   
3035 C CA  . TYR D 40  ? 0.2080 0.2182 0.1263 0.0073  0.0047  -0.0433 54  TYR D CA  
3036 C C   . TYR D 40  ? 0.1830 0.2256 0.1559 0.0082  0.0083  -0.0409 54  TYR D C   
3037 O O   . TYR D 40  ? 0.1854 0.2327 0.1511 0.0114  0.0153  -0.0351 54  TYR D O   
3038 C CB  . TYR D 40  ? 0.2348 0.2157 0.1148 0.0133  0.0050  -0.0559 54  TYR D CB  
3039 C CG  . TYR D 40  ? 0.2443 0.2247 0.1001 0.0166  -0.0203 -0.0599 54  TYR D CG  
3040 C CD1 . TYR D 40  ? 0.2507 0.2430 0.1482 0.0121  -0.0331 -0.0549 54  TYR D CD1 
3041 C CD2 . TYR D 40  ? 0.2305 0.2259 0.1309 0.0314  -0.0020 -0.0597 54  TYR D CD2 
3042 C CE1 . TYR D 40  ? 0.2492 0.2561 0.1581 0.0035  -0.0253 -0.0484 54  TYR D CE1 
3043 C CE2 . TYR D 40  ? 0.2364 0.2394 0.1551 0.0146  -0.0179 -0.0550 54  TYR D CE2 
3044 C CZ  . TYR D 40  ? 0.2410 0.2626 0.1588 0.0009  -0.0274 -0.0454 54  TYR D CZ  
3045 O OH  . TYR D 40  ? 0.2434 0.2855 0.1833 -0.0125 -0.0113 -0.0524 54  TYR D OH  
3046 N N   . VAL D 41  ? 0.2022 0.2170 0.1314 -0.0022 0.0085  -0.0512 55  VAL D N   
3047 C CA  . VAL D 41  ? 0.2243 0.2353 0.1266 0.0054  0.0002  -0.0629 55  VAL D CA  
3048 C C   . VAL D 41  ? 0.2127 0.2712 0.1311 0.0140  0.0132  -0.0643 55  VAL D C   
3049 O O   . VAL D 41  ? 0.1981 0.2861 0.1317 0.0072  -0.0078 -0.0600 55  VAL D O   
3050 C CB  . VAL D 41  ? 0.2532 0.2255 0.1667 0.0036  -0.0007 -0.0491 55  VAL D CB  
3051 C CG1 . VAL D 41  ? 0.2429 0.2300 0.1811 0.0165  0.0146  -0.0285 55  VAL D CG1 
3052 C CG2 . VAL D 41  ? 0.2759 0.2028 0.1382 0.0067  0.0173  -0.0603 55  VAL D CG2 
3053 N N   A LEU D 42  ? 0.2062 0.2851 0.1496 0.0244  0.0358  -0.0786 56  LEU D N   
3054 N N   B LEU D 42  ? 0.2205 0.2725 0.1453 0.0239  0.0212  -0.0743 56  LEU D N   
3055 C CA  A LEU D 42  ? 0.2309 0.3000 0.1848 0.0256  0.0271  -0.0754 56  LEU D CA  
3056 C CA  B LEU D 42  ? 0.2208 0.2714 0.1580 0.0279  0.0225  -0.0814 56  LEU D CA  
3057 C C   A LEU D 42  ? 0.2186 0.2949 0.1403 0.0332  0.0245  -0.0808 56  LEU D C   
3058 C C   B LEU D 42  ? 0.2140 0.2704 0.1357 0.0356  0.0179  -0.0743 56  LEU D C   
3059 O O   A LEU D 42  ? 0.2255 0.3102 0.1644 0.0436  0.0088  -0.0999 56  LEU D O   
3060 O O   B LEU D 42  ? 0.2109 0.2724 0.1191 0.0402  0.0051  -0.0793 56  LEU D O   
3061 C CB  A LEU D 42  ? 0.2537 0.3022 0.2202 0.0311  0.0287  -0.0944 56  LEU D CB  
3062 C CB  B LEU D 42  ? 0.2170 0.2644 0.1861 0.0295  0.0457  -0.1090 56  LEU D CB  
3063 C CG  A LEU D 42  ? 0.2520 0.3063 0.2085 0.0293  0.0510  -0.0953 56  LEU D CG  
3064 C CG  B LEU D 42  ? 0.2128 0.2584 0.2108 0.0283  0.0584  -0.1113 56  LEU D CG  
3065 C CD1 A LEU D 42  ? 0.2330 0.2968 0.1633 0.0174  0.0465  -0.1043 56  LEU D CD1 
3066 C CD1 B LEU D 42  ? 0.2142 0.2633 0.2175 0.0258  0.0577  -0.1166 56  LEU D CD1 
3067 C CD2 A LEU D 42  ? 0.2532 0.3194 0.2561 0.0171  0.0562  -0.0923 56  LEU D CD2 
3068 C CD2 B LEU D 42  ? 0.2135 0.2492 0.2026 0.0315  0.0709  -0.0962 56  LEU D CD2 
3069 N N   . THR D 43  ? 0.2194 0.2611 0.1588 0.0474  0.0287  -0.0585 57  THR D N   
3070 C CA  . THR D 43  ? 0.2391 0.1988 0.1555 0.0440  0.0170  -0.0409 57  THR D CA  
3071 C C   . THR D 43  ? 0.1888 0.1707 0.1234 0.0055  0.0051  -0.0402 57  THR D C   
3072 O O   . THR D 43  ? 0.1995 0.1799 0.1041 0.0047  -0.0013 -0.0374 57  THR D O   
3073 C CB  A THR D 43  ? 0.2693 0.1901 0.1720 0.0487  0.0207  -0.0494 57  THR D CB  
3074 C CB  B THR D 43  ? 0.2962 0.2002 0.1756 0.0729  0.0379  -0.0187 57  THR D CB  
3075 O OG1 A THR D 43  ? 0.3100 0.2073 0.2491 0.0240  0.0388  -0.0414 57  THR D OG1 
3076 O OG1 B THR D 43  ? 0.3148 0.1942 0.1781 0.0980  0.0518  -0.0166 57  THR D OG1 
3077 C CG2 A THR D 43  ? 0.2403 0.1674 0.1335 0.0625  0.0110  -0.0634 57  THR D CG2 
3078 C CG2 B THR D 43  ? 0.3225 0.2139 0.2261 0.0576  0.0503  -0.0061 57  THR D CG2 
3079 N N   . GLY D 44  ? 0.1862 0.1566 0.1382 0.0109  0.0126  -0.0439 58  GLY D N   
3080 C CA  . GLY D 44  ? 0.1791 0.1640 0.1344 0.0130  0.0003  -0.0403 58  GLY D CA  
3081 C C   . GLY D 44  ? 0.1782 0.1734 0.1035 -0.0036 -0.0030 -0.0266 58  GLY D C   
3082 O O   . GLY D 44  ? 0.1924 0.1758 0.1087 -0.0105 -0.0010 -0.0140 58  GLY D O   
3083 N N   . ARG D 45  ? 0.1861 0.1666 0.1110 0.0055  0.0095  0.0030  59  ARG D N   
3084 C CA  . ARG D 45  ? 0.1858 0.1572 0.1243 -0.0094 0.0128  -0.0164 59  ARG D CA  
3085 C C   . ARG D 45  ? 0.1811 0.1503 0.1142 -0.0140 -0.0139 -0.0001 59  ARG D C   
3086 O O   . ARG D 45  ? 0.2032 0.1461 0.1213 -0.0103 -0.0075 -0.0131 59  ARG D O   
3087 C CB  . ARG D 45  ? 0.1898 0.1568 0.1459 -0.0364 0.0239  -0.0158 59  ARG D CB  
3088 C CG  . ARG D 45  ? 0.2053 0.1592 0.1493 -0.0436 0.0248  -0.0243 59  ARG D CG  
3089 C CD  . ARG D 45  ? 0.2217 0.1784 0.1763 -0.0404 0.0208  -0.0188 59  ARG D CD  
3090 N NE  . ARG D 45  ? 0.2469 0.1847 0.1280 -0.0496 0.0036  -0.0001 59  ARG D NE  
3091 C CZ  . ARG D 45  ? 0.2632 0.2067 0.1325 -0.0486 0.0343  -0.0098 59  ARG D CZ  
3092 N NH1 . ARG D 45  ? 0.2642 0.2061 0.1287 -0.0434 0.0376  -0.0335 59  ARG D NH1 
3093 N NH2 . ARG D 45  ? 0.2745 0.2128 0.1474 -0.0517 0.0205  -0.0106 59  ARG D NH2 
3094 N N   . TYR D 46  ? 0.2005 0.1661 0.1334 -0.0202 0.0098  -0.0050 60  TYR D N   
3095 C CA  . TYR D 46  ? 0.2209 0.1823 0.1173 -0.0229 0.0024  0.0012  60  TYR D CA  
3096 C C   . TYR D 46  ? 0.2181 0.1964 0.1225 -0.0079 -0.0011 0.0147  60  TYR D C   
3097 O O   . TYR D 46  ? 0.2161 0.2144 0.1467 -0.0129 -0.0033 0.0107  60  TYR D O   
3098 C CB  . TYR D 46  ? 0.2396 0.2116 0.1142 -0.0279 -0.0129 0.0165  60  TYR D CB  
3099 C CG  . TYR D 46  ? 0.2362 0.2318 0.1102 -0.0320 -0.0141 0.0251  60  TYR D CG  
3100 C CD1 . TYR D 46  ? 0.2375 0.2581 0.0952 -0.0389 0.0235  -0.0054 60  TYR D CD1 
3101 C CD2 . TYR D 46  ? 0.2541 0.2556 0.1324 -0.0238 -0.0105 0.0444  60  TYR D CD2 
3102 C CE1 . TYR D 46  ? 0.2594 0.2663 0.1187 -0.0402 0.0148  0.0096  60  TYR D CE1 
3103 C CE2 . TYR D 46  ? 0.2467 0.2673 0.1492 -0.0414 -0.0119 0.0123  60  TYR D CE2 
3104 C CZ  . TYR D 46  ? 0.2627 0.2708 0.1300 -0.0479 -0.0132 0.0052  60  TYR D CZ  
3105 O OH  . TYR D 46  ? 0.2897 0.2951 0.1417 -0.0394 -0.0307 0.0009  60  TYR D OH  
3106 N N   . ASP D 47  ? 0.2012 0.2034 0.1106 0.0034  -0.0021 0.0196  61  ASP D N   
3107 C CA  . ASP D 47  ? 0.2228 0.2044 0.1258 0.0006  -0.0186 -0.0016 61  ASP D CA  
3108 C C   . ASP D 47  ? 0.2389 0.2190 0.1345 -0.0023 -0.0134 0.0071  61  ASP D C   
3109 O O   . ASP D 47  ? 0.2355 0.2254 0.1212 0.0014  -0.0232 0.0161  61  ASP D O   
3110 C CB  . ASP D 47  ? 0.2147 0.2060 0.1325 0.0048  0.0088  -0.0040 61  ASP D CB  
3111 C CG  . ASP D 47  ? 0.2108 0.2193 0.1282 0.0076  -0.0213 -0.0114 61  ASP D CG  
3112 O OD1 . ASP D 47  ? 0.2170 0.2341 0.1459 0.0045  -0.0314 -0.0071 61  ASP D OD1 
3113 O OD2 . ASP D 47  ? 0.1859 0.2269 0.1436 0.0103  -0.0188 0.0020  61  ASP D OD2 
3114 N N   . SER D 48  ? 0.2652 0.2374 0.1312 -0.0008 -0.0293 -0.0089 62  SER D N   
3115 C CA  . SER D 48  ? 0.3057 0.2601 0.1505 -0.0093 -0.0364 -0.0206 62  SER D CA  
3116 C C   . SER D 48  ? 0.3042 0.2805 0.1677 0.0068  -0.0410 0.0053  62  SER D C   
3117 O O   . SER D 48  ? 0.3216 0.3175 0.1632 0.0203  -0.0463 0.0122  62  SER D O   
3118 C CB  . SER D 48  ? 0.3342 0.2655 0.1642 -0.0413 -0.0026 -0.0178 62  SER D CB  
3119 O OG  . SER D 48  ? 0.3452 0.2824 0.1802 -0.0547 0.0238  -0.0180 62  SER D OG  
3120 N N   . ALA D 49  ? 0.2656 0.2795 0.1903 0.0087  -0.0552 0.0172  63  ALA D N   
3121 C CA  . ALA D 49  ? 0.2547 0.2816 0.1860 0.0089  -0.0480 0.0264  63  ALA D CA  
3122 C C   . ALA D 49  ? 0.2656 0.2872 0.1757 0.0025  -0.0409 0.0294  63  ALA D C   
3123 O O   . ALA D 49  ? 0.2407 0.2940 0.2096 0.0026  -0.0252 0.0269  63  ALA D O   
3124 C CB  . ALA D 49  ? 0.2357 0.2853 0.2056 0.0070  -0.0691 0.0318  63  ALA D CB  
3125 N N   . PRO D 50  ? 0.2849 0.2826 0.1528 -0.0005 -0.0297 0.0264  64  PRO D N   
3126 C CA  . PRO D 50  ? 0.2991 0.2688 0.1852 0.0032  -0.0125 0.0306  64  PRO D CA  
3127 C C   . PRO D 50  ? 0.3168 0.2637 0.2035 0.0125  -0.0225 0.0423  64  PRO D C   
3128 O O   . PRO D 50  ? 0.3388 0.2709 0.2281 0.0130  -0.0421 0.0536  64  PRO D O   
3129 C CB  . PRO D 50  ? 0.2933 0.2704 0.1960 0.0033  0.0057  0.0202  64  PRO D CB  
3130 C CG  . PRO D 50  ? 0.2988 0.2821 0.2024 0.0031  -0.0278 0.0099  64  PRO D CG  
3131 C CD  . PRO D 50  ? 0.2904 0.2832 0.1637 -0.0087 -0.0172 0.0107  64  PRO D CD  
3132 N N   . ALA D 51  ? 0.3212 0.2610 0.2229 0.0285  -0.0244 0.0419  65  ALA D N   
3133 C CA  . ALA D 51  ? 0.3478 0.2525 0.2566 0.0324  -0.0305 0.0404  65  ALA D CA  
3134 C C   . ALA D 51  ? 0.3791 0.2638 0.3030 0.0164  -0.0891 0.0551  65  ALA D C   
3135 O O   . ALA D 51  ? 0.3958 0.2593 0.3104 0.0097  -0.0827 0.0667  65  ALA D O   
3136 C CB  . ALA D 51  ? 0.3390 0.2489 0.2626 0.0464  -0.0237 0.0306  65  ALA D CB  
3137 N N   . THR D 52  ? 0.3963 0.2924 0.3389 0.0214  -0.1295 0.0737  66  THR D N   
3138 C CA  . THR D 52  ? 0.4222 0.3189 0.3655 0.0373  -0.1477 0.0853  66  THR D CA  
3139 C C   . THR D 52  ? 0.4385 0.3217 0.3968 0.0529  -0.1438 0.1024  66  THR D C   
3140 O O   . THR D 52  ? 0.4568 0.3318 0.4284 0.0616  -0.1453 0.1177  66  THR D O   
3141 C CB  . THR D 52  ? 0.4343 0.3520 0.3776 0.0356  -0.1614 0.0866  66  THR D CB  
3142 O OG1 . THR D 52  ? 0.4386 0.3713 0.4234 0.0279  -0.1634 0.0800  66  THR D OG1 
3143 C CG2 . THR D 52  ? 0.4445 0.3607 0.3404 0.0391  -0.1831 0.0856  66  THR D CG2 
3144 N N   . ASP D 53  ? 0.4369 0.3151 0.3977 0.0623  -0.1326 0.0899  67  ASP D N   
3145 C CA  . ASP D 53  ? 0.4302 0.3114 0.4209 0.0640  -0.1026 0.0887  67  ASP D CA  
3146 C C   . ASP D 53  ? 0.4353 0.3081 0.4243 0.0642  -0.0935 0.0833  67  ASP D C   
3147 O O   . ASP D 53  ? 0.4641 0.3173 0.4689 0.0725  -0.0666 0.0593  67  ASP D O   
3148 C CB  . ASP D 53  ? 0.4100 0.3158 0.4281 0.0611  -0.0819 0.0788  67  ASP D CB  
3149 C CG  . ASP D 53  ? 0.3975 0.3187 0.4376 0.0516  -0.0524 0.0774  67  ASP D CG  
3150 O OD1 . ASP D 53  ? 0.3642 0.3046 0.4300 0.0418  -0.0550 0.0778  67  ASP D OD1 
3151 O OD2 . ASP D 53  ? 0.4082 0.3352 0.4524 0.0664  -0.0394 0.0752  67  ASP D OD2 
3152 N N   . GLY D 54  ? 0.4054 0.2933 0.3718 0.0548  -0.1004 0.1165  68  GLY D N   
3153 C CA  . GLY D 54  ? 0.4019 0.2746 0.3223 0.0358  -0.0944 0.1270  68  GLY D CA  
3154 C C   . GLY D 54  ? 0.3914 0.2686 0.3035 0.0183  -0.0851 0.1127  68  GLY D C   
3155 O O   . GLY D 54  ? 0.4210 0.2799 0.3222 -0.0148 -0.0669 0.1079  68  GLY D O   
3156 N N   . SER D 55  ? 0.3500 0.2445 0.2679 0.0246  -0.0562 0.0898  69  SER D N   
3157 C CA  . SER D 55  ? 0.3341 0.2309 0.2263 0.0371  -0.0501 0.0771  69  SER D CA  
3158 C C   . SER D 55  ? 0.3177 0.2140 0.1782 0.0262  -0.0188 0.0618  69  SER D C   
3159 O O   . SER D 55  ? 0.3318 0.2193 0.1982 0.0398  -0.0130 0.0305  69  SER D O   
3160 C CB  . SER D 55  ? 0.3521 0.2435 0.2504 0.0481  -0.0282 0.0645  69  SER D CB  
3161 O OG  . SER D 55  ? 0.3772 0.2543 0.2966 0.0352  -0.0187 0.0442  69  SER D OG  
3162 N N   . GLY D 56  ? 0.2848 0.1909 0.1593 0.0160  -0.0177 0.0423  70  GLY D N   
3163 C CA  . GLY D 56  ? 0.2631 0.1823 0.1605 0.0012  0.0080  0.0251  70  GLY D CA  
3164 C C   . GLY D 56  ? 0.2360 0.1876 0.1371 -0.0040 -0.0331 0.0312  70  GLY D C   
3165 O O   . GLY D 56  ? 0.2414 0.2023 0.1561 -0.0030 -0.0201 0.0270  70  GLY D O   
3166 N N   . THR D 57  ? 0.2408 0.1962 0.1203 -0.0008 -0.0263 0.0045  71  THR D N   
3167 C CA  . THR D 57  ? 0.2590 0.1935 0.1145 0.0106  -0.0221 0.0184  71  THR D CA  
3168 C C   . THR D 57  ? 0.2297 0.1784 0.1237 0.0056  -0.0016 0.0242  71  THR D C   
3169 O O   . THR D 57  ? 0.2178 0.1763 0.1372 -0.0030 0.0007  0.0122  71  THR D O   
3170 C CB  . THR D 57  ? 0.2803 0.1997 0.1182 0.0019  -0.0218 0.0331  71  THR D CB  
3171 O OG1 . THR D 57  ? 0.2884 0.2153 0.1324 -0.0167 -0.0301 0.0394  71  THR D OG1 
3172 C CG2 . THR D 57  ? 0.2796 0.1958 0.1400 0.0009  -0.0059 0.0378  71  THR D CG2 
3173 N N   . ALA D 58  ? 0.2222 0.1677 0.1063 0.0060  -0.0041 0.0230  72  ALA D N   
3174 C CA  . ALA D 58  ? 0.2016 0.1756 0.1093 0.0220  0.0036  0.0292  72  ALA D CA  
3175 C C   . ALA D 58  ? 0.1929 0.1773 0.1046 -0.0004 -0.0342 0.0038  72  ALA D C   
3176 O O   . ALA D 58  ? 0.2075 0.1945 0.1223 -0.0084 -0.0387 0.0100  72  ALA D O   
3177 C CB  . ALA D 58  ? 0.2111 0.1766 0.1150 -0.0118 -0.0163 0.0387  72  ALA D CB  
3178 N N   . LEU D 59  ? 0.1838 0.1693 0.1190 0.0030  -0.0228 0.0112  73  LEU D N   
3179 C CA  . LEU D 59  ? 0.2000 0.1818 0.1100 -0.0106 -0.0112 0.0241  73  LEU D CA  
3180 C C   . LEU D 59  ? 0.1889 0.1601 0.1063 0.0049  -0.0308 0.0133  73  LEU D C   
3181 O O   . LEU D 59  ? 0.2251 0.1588 0.1548 -0.0016 -0.0465 -0.0059 73  LEU D O   
3182 C CB  . LEU D 59  ? 0.2449 0.2389 0.1242 -0.0301 0.0054  0.0482  73  LEU D CB  
3183 C CG  . LEU D 59  ? 0.2977 0.3007 0.1446 -0.0481 0.0148  0.0742  73  LEU D CG  
3184 C CD1 . LEU D 59  ? 0.3238 0.3179 0.2127 -0.0357 0.0153  0.0734  73  LEU D CD1 
3185 C CD2 . LEU D 59  ? 0.3221 0.3225 0.1474 -0.0711 0.0346  0.0680  73  LEU D CD2 
3186 N N   . GLY D 60  ? 0.1814 0.1576 0.1150 0.0054  -0.0038 0.0143  74  GLY D N   
3187 C CA  . GLY D 60  ? 0.1773 0.1515 0.0764 0.0098  -0.0008 0.0065  74  GLY D CA  
3188 C C   . GLY D 60  ? 0.1681 0.1481 0.0915 0.0021  0.0164  0.0084  74  GLY D C   
3189 O O   . GLY D 60  ? 0.1825 0.1553 0.1031 -0.0006 0.0065  -0.0075 74  GLY D O   
3190 N N   . TRP D 61  ? 0.1788 0.1587 0.0950 -0.0031 0.0147  0.0110  75  TRP D N   
3191 C CA  . TRP D 61  ? 0.1793 0.1644 0.0934 0.0107  0.0118  0.0116  75  TRP D CA  
3192 C C   . TRP D 61  ? 0.1738 0.1729 0.0874 0.0035  0.0006  -0.0061 75  TRP D C   
3193 O O   . TRP D 61  ? 0.2085 0.1711 0.1010 -0.0032 0.0146  -0.0077 75  TRP D O   
3194 C CB  . TRP D 61  ? 0.2174 0.1569 0.1091 -0.0046 0.0251  0.0001  75  TRP D CB  
3195 C CG  . TRP D 61  ? 0.2150 0.1744 0.1195 -0.0161 0.0025  -0.0022 75  TRP D CG  
3196 C CD1 . TRP D 61  ? 0.2464 0.1878 0.1307 -0.0207 -0.0049 0.0006  75  TRP D CD1 
3197 C CD2 . TRP D 61  ? 0.2182 0.1637 0.1138 -0.0149 0.0200  -0.0030 75  TRP D CD2 
3198 N NE1 . TRP D 61  ? 0.2293 0.1820 0.1483 -0.0294 -0.0085 0.0145  75  TRP D NE1 
3199 C CE2 . TRP D 61  ? 0.2292 0.1626 0.1181 -0.0146 0.0298  0.0052  75  TRP D CE2 
3200 C CE3 . TRP D 61  ? 0.2320 0.1583 0.1336 -0.0177 0.0312  0.0084  75  TRP D CE3 
3201 C CZ2 . TRP D 61  ? 0.2547 0.1704 0.1020 -0.0001 0.0122  0.0075  75  TRP D CZ2 
3202 C CZ3 . TRP D 61  ? 0.2393 0.1554 0.1738 -0.0059 0.0291  -0.0116 75  TRP D CZ3 
3203 C CH2 . TRP D 61  ? 0.2629 0.1598 0.1332 0.0109  0.0409  -0.0041 75  TRP D CH2 
3204 N N   . THR D 62  ? 0.1715 0.1587 0.1047 0.0102  0.0119  -0.0006 76  THR D N   
3205 C CA  . THR D 62  ? 0.1737 0.1570 0.1020 0.0086  0.0196  -0.0082 76  THR D CA  
3206 C C   . THR D 62  ? 0.1942 0.1720 0.0867 0.0086  -0.0082 -0.0203 76  THR D C   
3207 O O   . THR D 62  ? 0.2357 0.1853 0.1051 0.0057  0.0073  -0.0379 76  THR D O   
3208 C CB  . THR D 62  ? 0.2035 0.1431 0.1010 0.0121  -0.0026 -0.0024 76  THR D CB  
3209 O OG1 . THR D 62  ? 0.1956 0.1482 0.1134 0.0093  0.0340  -0.0099 76  THR D OG1 
3210 C CG2 . THR D 62  ? 0.2297 0.1521 0.0876 0.0227  -0.0152 -0.0106 76  THR D CG2 
3211 N N   . VAL D 63  ? 0.2088 0.1663 0.1086 0.0095  0.0075  -0.0246 77  VAL D N   
3212 C CA  . VAL D 63  ? 0.2209 0.1664 0.1296 0.0188  0.0026  -0.0336 77  VAL D CA  
3213 C C   . VAL D 63  ? 0.2125 0.1704 0.1277 0.0361  0.0191  -0.0531 77  VAL D C   
3214 O O   . VAL D 63  ? 0.2456 0.1850 0.1359 0.0414  0.0170  -0.0453 77  VAL D O   
3215 C CB  . VAL D 63  ? 0.2366 0.1862 0.1681 0.0179  0.0138  -0.0494 77  VAL D CB  
3216 C CG1 . VAL D 63  ? 0.2503 0.1990 0.2055 0.0227  0.0179  -0.0793 77  VAL D CG1 
3217 C CG2 . VAL D 63  ? 0.2335 0.1812 0.1267 -0.0094 -0.0209 -0.0447 77  VAL D CG2 
3218 N N   . ALA D 64  ? 0.2218 0.1909 0.1192 0.0371  0.0013  -0.0370 78  ALA D N   
3219 C CA  . ALA D 64  ? 0.2402 0.2005 0.1370 0.0440  0.0059  -0.0399 78  ALA D CA  
3220 C C   . ALA D 64  ? 0.2566 0.2102 0.1402 0.0403  0.0115  -0.0507 78  ALA D C   
3221 O O   . ALA D 64  ? 0.2727 0.2072 0.1576 0.0258  0.0108  -0.0483 78  ALA D O   
3222 C CB  . ALA D 64  ? 0.2647 0.1979 0.1470 0.0719  0.0198  -0.0243 78  ALA D CB  
3223 N N   . TRP D 65  ? 0.2423 0.2050 0.1397 0.0372  -0.0030 -0.0562 79  TRP D N   
3224 C CA  . TRP D 65  ? 0.2453 0.1905 0.1441 0.0496  -0.0021 -0.0543 79  TRP D CA  
3225 C C   . TRP D 65  ? 0.2467 0.2042 0.1492 0.0611  -0.0116 -0.0587 79  TRP D C   
3226 O O   . TRP D 65  ? 0.2441 0.2314 0.1648 0.0627  -0.0351 -0.0609 79  TRP D O   
3227 C CB  . TRP D 65  ? 0.2589 0.1903 0.1272 0.0430  -0.0103 -0.0388 79  TRP D CB  
3228 C CG  . TRP D 65  ? 0.2640 0.1939 0.1342 0.0307  0.0053  -0.0277 79  TRP D CG  
3229 C CD1 . TRP D 65  ? 0.2612 0.1834 0.1345 0.0337  0.0017  -0.0161 79  TRP D CD1 
3230 C CD2 . TRP D 65  ? 0.2688 0.1883 0.1502 0.0227  0.0131  -0.0192 79  TRP D CD2 
3231 N NE1 . TRP D 65  ? 0.2567 0.1777 0.1341 0.0271  0.0145  -0.0012 79  TRP D NE1 
3232 C CE2 . TRP D 65  ? 0.2633 0.1810 0.1483 0.0181  0.0281  -0.0063 79  TRP D CE2 
3233 C CE3 . TRP D 65  ? 0.2692 0.1835 0.1551 0.0122  0.0297  -0.0315 79  TRP D CE3 
3234 C CZ2 . TRP D 65  ? 0.2711 0.1804 0.1311 0.0119  0.0173  -0.0126 79  TRP D CZ2 
3235 C CZ3 . TRP D 65  ? 0.2607 0.1828 0.1531 0.0177  0.0149  -0.0402 79  TRP D CZ3 
3236 C CH2 . TRP D 65  ? 0.2782 0.1842 0.1519 0.0097  0.0034  -0.0255 79  TRP D CH2 
3237 N N   . LYS D 66  ? 0.2542 0.1988 0.1637 0.0543  0.0070  -0.0756 80  LYS D N   
3238 C CA  . LYS D 66  ? 0.2773 0.2003 0.1772 0.0589  0.0159  -0.0652 80  LYS D CA  
3239 C C   . LYS D 66  ? 0.2508 0.2067 0.1652 0.0398  0.0354  -0.0504 80  LYS D C   
3240 O O   . LYS D 66  ? 0.2402 0.2093 0.1687 0.0310  0.0335  -0.0357 80  LYS D O   
3241 C CB  . LYS D 66  ? 0.2910 0.2072 0.2192 0.0547  -0.0148 -0.0392 80  LYS D CB  
3242 C CG  . LYS D 66  ? 0.3109 0.2191 0.2735 0.0552  -0.0209 -0.0253 80  LYS D CG  
3243 C CD  . LYS D 66  ? 0.3439 0.2264 0.3163 0.0486  -0.0176 -0.0477 80  LYS D CD  
3244 C CE  . LYS D 66  ? 0.3816 0.2424 0.3584 0.0295  -0.0267 -0.0505 80  LYS D CE  
3245 N NZ  . LYS D 66  ? 0.3935 0.2435 0.3764 0.0185  -0.0279 -0.0580 80  LYS D NZ  
3246 N N   . ASN D 67  ? 0.2369 0.2087 0.1861 0.0359  0.0399  -0.0585 81  ASN D N   
3247 C CA  . ASN D 67  ? 0.2483 0.2043 0.1988 0.0131  0.0364  -0.0576 81  ASN D CA  
3248 C C   . ASN D 67  ? 0.2543 0.2076 0.2147 0.0029  0.0360  -0.0827 81  ASN D C   
3249 O O   . ASN D 67  ? 0.2613 0.2145 0.2301 0.0006  0.0338  -0.0834 81  ASN D O   
3250 C CB  . ASN D 67  ? 0.2568 0.2131 0.1863 -0.0106 0.0303  -0.0628 81  ASN D CB  
3251 C CG  . ASN D 67  ? 0.2450 0.2149 0.1996 -0.0103 0.0273  -0.0733 81  ASN D CG  
3252 O OD1 . ASN D 67  ? 0.2231 0.2216 0.2092 0.0013  0.0078  -0.0568 81  ASN D OD1 
3253 N ND2 . ASN D 67  ? 0.2482 0.2178 0.2213 -0.0177 0.0488  -0.0711 81  ASN D ND2 
3254 N N   . ASN D 68  ? 0.2502 0.2060 0.2493 -0.0028 0.0591  -0.0821 82  ASN D N   
3255 C CA  . ASN D 68  ? 0.2699 0.2384 0.3030 0.0177  0.0629  -0.0775 82  ASN D CA  
3256 C C   . ASN D 68  ? 0.2504 0.2336 0.3176 0.0285  0.0539  -0.0680 82  ASN D C   
3257 O O   . ASN D 68  ? 0.2489 0.2450 0.3653 0.0412  0.0309  -0.0702 82  ASN D O   
3258 C CB  . ASN D 68  ? 0.3167 0.2702 0.3488 0.0182  0.0767  -0.1085 82  ASN D CB  
3259 C CG  . ASN D 68  ? 0.3884 0.3168 0.4134 0.0054  0.0970  -0.1010 82  ASN D CG  
3260 O OD1 . ASN D 68  ? 0.4336 0.3379 0.4456 -0.0112 0.0955  -0.0802 82  ASN D OD1 
3261 N ND2 . ASN D 68  ? 0.4183 0.3325 0.4359 0.0052  0.0970  -0.0989 82  ASN D ND2 
3262 N N   . TYR D 69  ? 0.2432 0.2369 0.2757 0.0157  0.0502  -0.0719 83  TYR D N   
3263 C CA  . TYR D 69  ? 0.2678 0.2490 0.2593 0.0229  0.0413  -0.0369 83  TYR D CA  
3264 C C   . TYR D 69  ? 0.2544 0.2685 0.2683 0.0202  0.0143  -0.0193 83  TYR D C   
3265 O O   . TYR D 69  ? 0.2516 0.2994 0.3058 0.0103  0.0357  -0.0062 83  TYR D O   
3266 C CB  . TYR D 69  ? 0.2801 0.2535 0.2215 0.0132  0.0406  -0.0361 83  TYR D CB  
3267 C CG  . TYR D 69  ? 0.2822 0.2705 0.2304 0.0105  0.0549  -0.0439 83  TYR D CG  
3268 C CD1 . TYR D 69  ? 0.3042 0.2831 0.2695 0.0195  0.0525  -0.0420 83  TYR D CD1 
3269 C CD2 . TYR D 69  ? 0.2891 0.2771 0.2492 0.0092  0.0569  -0.0470 83  TYR D CD2 
3270 C CE1 . TYR D 69  ? 0.3250 0.2908 0.2578 0.0121  0.0789  -0.0386 83  TYR D CE1 
3271 C CE2 . TYR D 69  ? 0.3052 0.2823 0.2609 0.0070  0.0756  -0.0445 83  TYR D CE2 
3272 C CZ  . TYR D 69  ? 0.3358 0.2997 0.2620 0.0086  0.0850  -0.0582 83  TYR D CZ  
3273 O OH  . TYR D 69  ? 0.3911 0.3143 0.2691 0.0050  0.0873  -0.0843 83  TYR D OH  
3274 N N   . ARG D 70  ? 0.2515 0.2591 0.2367 0.0350  0.0080  -0.0352 84  ARG D N   
3275 C CA  . ARG D 70  ? 0.2602 0.2683 0.2380 0.0340  -0.0054 -0.0337 84  ARG D CA  
3276 C C   . ARG D 70  ? 0.2366 0.2552 0.2304 0.0473  0.0030  -0.0428 84  ARG D C   
3277 O O   . ARG D 70  ? 0.2315 0.2550 0.2294 0.0318  -0.0018 -0.0534 84  ARG D O   
3278 C CB  . ARG D 70  ? 0.3166 0.2951 0.2899 0.0285  -0.0067 -0.0319 84  ARG D CB  
3279 C CG  . ARG D 70  ? 0.3639 0.3107 0.3211 0.0448  -0.0069 -0.0239 84  ARG D CG  
3280 C CD  . ARG D 70  ? 0.4078 0.3324 0.3721 0.0473  -0.0140 -0.0239 84  ARG D CD  
3281 N NE  . ARG D 70  ? 0.4208 0.3328 0.3616 0.0569  -0.0394 -0.0327 84  ARG D NE  
3282 C CZ  . ARG D 70  ? 0.4250 0.3398 0.3626 0.0543  -0.0629 -0.0328 84  ARG D CZ  
3283 N NH1 . ARG D 70  ? 0.4275 0.3359 0.3710 0.0559  -0.0456 -0.0234 84  ARG D NH1 
3284 N NH2 . ARG D 70  ? 0.4286 0.3468 0.3572 0.0459  -0.0949 -0.0354 84  ARG D NH2 
3285 N N   . ASN D 71  ? 0.2463 0.2512 0.2201 0.0598  0.0090  -0.0383 85  ASN D N   
3286 C CA  . ASN D 71  ? 0.2565 0.2396 0.1963 0.0584  0.0140  -0.0385 85  ASN D CA  
3287 C C   . ASN D 71  ? 0.2768 0.2478 0.1831 0.0522  -0.0147 -0.0484 85  ASN D C   
3288 O O   . ASN D 71  ? 0.2978 0.2799 0.2052 0.0610  -0.0242 -0.0507 85  ASN D O   
3289 C CB  . ASN D 71  ? 0.2506 0.2224 0.1888 0.0663  -0.0025 -0.0206 85  ASN D CB  
3290 C CG  . ASN D 71  ? 0.2697 0.2186 0.1627 0.0584  -0.0043 -0.0303 85  ASN D CG  
3291 O OD1 . ASN D 71  ? 0.2826 0.2271 0.1724 0.0512  0.0138  -0.0331 85  ASN D OD1 
3292 N ND2 . ASN D 71  ? 0.2658 0.2173 0.1873 0.0698  -0.0041 -0.0314 85  ASN D ND2 
3293 N N   . ALA D 72  ? 0.2840 0.2233 0.1679 0.0408  -0.0276 -0.0589 86  ALA D N   
3294 C CA  . ALA D 72  ? 0.3084 0.2122 0.1847 0.0459  -0.0215 -0.0653 86  ALA D CA  
3295 C C   . ALA D 72  ? 0.3046 0.2268 0.1789 0.0530  -0.0368 -0.0685 86  ALA D C   
3296 O O   . ALA D 72  ? 0.3092 0.2496 0.2124 0.0483  -0.0336 -0.0669 86  ALA D O   
3297 C CB  . ALA D 72  ? 0.3379 0.2048 0.1873 0.0282  -0.0194 -0.0687 86  ALA D CB  
3298 N N   . HIS D 73  ? 0.3027 0.2242 0.1675 0.0779  -0.0422 -0.0483 87  HIS D N   
3299 C CA  . HIS D 73  ? 0.2942 0.2153 0.1433 0.0895  -0.0350 -0.0226 87  HIS D CA  
3300 C C   . HIS D 73  ? 0.3052 0.1992 0.1365 0.0848  -0.0358 -0.0328 87  HIS D C   
3301 O O   . HIS D 73  ? 0.3234 0.2100 0.1492 0.0878  -0.0317 -0.0141 87  HIS D O   
3302 C CB  . HIS D 73  ? 0.2846 0.2155 0.1737 0.0956  -0.0428 -0.0103 87  HIS D CB  
3303 C CG  . HIS D 73  ? 0.2748 0.2196 0.1952 0.0938  -0.0219 0.0017  87  HIS D CG  
3304 N ND1 . HIS D 73  ? 0.2692 0.2195 0.2195 0.0919  -0.0129 0.0027  87  HIS D ND1 
3305 C CD2 . HIS D 73  ? 0.2969 0.2246 0.2312 0.0878  -0.0227 0.0064  87  HIS D CD2 
3306 C CE1 . HIS D 73  ? 0.2918 0.2261 0.2447 0.0837  -0.0147 -0.0085 87  HIS D CE1 
3307 N NE2 . HIS D 73  ? 0.3025 0.2328 0.2326 0.0779  -0.0238 -0.0164 87  HIS D NE2 
3308 N N   . SER D 74  ? 0.2977 0.1923 0.1511 0.0741  -0.0196 -0.0255 88  SER D N   
3309 C CA  . SER D 74  ? 0.2856 0.1824 0.1515 0.0708  -0.0188 -0.0181 88  SER D CA  
3310 C C   . SER D 74  ? 0.2833 0.1677 0.1148 0.0638  -0.0321 -0.0291 88  SER D C   
3311 O O   . SER D 74  ? 0.2907 0.1754 0.1314 0.0608  -0.0270 -0.0430 88  SER D O   
3312 C CB  . SER D 74  ? 0.3003 0.2009 0.1621 0.0604  0.0023  -0.0201 88  SER D CB  
3313 O OG  . SER D 74  ? 0.3142 0.2204 0.1705 0.0445  -0.0049 -0.0064 88  SER D OG  
3314 N N   . ALA D 75  ? 0.2907 0.1658 0.1301 0.0550  -0.0354 -0.0211 89  ALA D N   
3315 C CA  . ALA D 75  ? 0.2941 0.1660 0.1300 0.0434  -0.0429 -0.0291 89  ALA D CA  
3316 C C   . ALA D 75  ? 0.2738 0.1635 0.0971 0.0251  -0.0361 -0.0257 89  ALA D C   
3317 O O   . ALA D 75  ? 0.2782 0.1616 0.0992 0.0256  -0.0094 -0.0160 89  ALA D O   
3318 C CB  . ALA D 75  ? 0.3063 0.1639 0.1779 0.0377  -0.0532 -0.0483 89  ALA D CB  
3319 N N   . THR D 76  ? 0.2549 0.1557 0.1058 0.0374  -0.0155 -0.0292 90  THR D N   
3320 C CA  . THR D 76  ? 0.2342 0.1488 0.0958 0.0297  -0.0184 -0.0253 90  THR D CA  
3321 C C   . THR D 76  ? 0.2129 0.1508 0.0900 0.0194  -0.0049 -0.0254 90  THR D C   
3322 O O   . THR D 76  ? 0.2106 0.1547 0.1166 0.0043  0.0016  -0.0305 90  THR D O   
3323 C CB  . THR D 76  ? 0.2456 0.1732 0.1013 0.0240  0.0083  -0.0261 90  THR D CB  
3324 O OG1 . THR D 76  ? 0.2231 0.1845 0.1275 0.0189  -0.0089 -0.0176 90  THR D OG1 
3325 C CG2 . THR D 76  ? 0.2582 0.1811 0.1137 0.0210  0.0321  -0.0146 90  THR D CG2 
3326 N N   . THR D 77  ? 0.2157 0.1445 0.0946 0.0229  -0.0028 -0.0063 91  THR D N   
3327 C CA  . THR D 77  ? 0.2310 0.1327 0.0880 0.0112  -0.0107 -0.0019 91  THR D CA  
3328 C C   . THR D 77  ? 0.2251 0.1450 0.0985 0.0053  -0.0207 -0.0059 91  THR D C   
3329 O O   . THR D 77  ? 0.2533 0.1564 0.1099 0.0101  -0.0381 -0.0100 91  THR D O   
3330 C CB  . THR D 77  ? 0.2449 0.1325 0.0970 0.0008  0.0343  -0.0152 91  THR D CB  
3331 O OG1 . THR D 77  ? 0.2651 0.1533 0.1158 0.0290  0.0280  0.0036  91  THR D OG1 
3332 C CG2 . THR D 77  ? 0.2703 0.1189 0.1546 -0.0099 0.0396  -0.0306 91  THR D CG2 
3333 N N   . TRP D 78  ? 0.2004 0.1504 0.1048 0.0093  -0.0214 0.0043  92  TRP D N   
3334 C CA  . TRP D 78  ? 0.1917 0.1529 0.1029 0.0166  -0.0103 0.0115  92  TRP D CA  
3335 C C   . TRP D 78  ? 0.2000 0.1498 0.1020 0.0079  -0.0116 0.0142  92  TRP D C   
3336 O O   . TRP D 78  ? 0.2147 0.1510 0.1079 -0.0075 0.0183  -0.0038 92  TRP D O   
3337 C CB  . TRP D 78  ? 0.2022 0.1594 0.0991 0.0099  0.0135  0.0019  92  TRP D CB  
3338 C CG  . TRP D 78  ? 0.2108 0.1641 0.1139 -0.0090 0.0169  -0.0078 92  TRP D CG  
3339 C CD1 . TRP D 78  ? 0.2047 0.1780 0.0877 0.0061  0.0056  0.0076  92  TRP D CD1 
3340 C CD2 . TRP D 78  ? 0.1960 0.1442 0.1079 0.0082  0.0149  -0.0102 92  TRP D CD2 
3341 N NE1 . TRP D 78  ? 0.2074 0.1818 0.1046 0.0127  0.0078  0.0037  92  TRP D NE1 
3342 C CE2 . TRP D 78  ? 0.2021 0.1571 0.1058 0.0286  0.0125  0.0029  92  TRP D CE2 
3343 C CE3 . TRP D 78  ? 0.2129 0.1477 0.0944 0.0268  -0.0037 -0.0085 92  TRP D CE3 
3344 C CZ2 . TRP D 78  ? 0.2131 0.1643 0.0892 0.0220  0.0054  0.0132  92  TRP D CZ2 
3345 C CZ3 . TRP D 78  ? 0.2301 0.1729 0.1058 0.0208  0.0131  -0.0218 92  TRP D CZ3 
3346 C CH2 . TRP D 78  ? 0.2270 0.1709 0.1134 0.0212  0.0167  -0.0035 92  TRP D CH2 
3347 N N   . SER D 79  ? 0.2138 0.1645 0.0975 0.0238  0.0006  0.0176  93  SER D N   
3348 C CA  . SER D 79  ? 0.2258 0.1714 0.0998 0.0324  0.0061  0.0212  93  SER D CA  
3349 C C   . SER D 79  ? 0.1985 0.1727 0.1075 0.0144  0.0051  0.0249  93  SER D C   
3350 O O   . SER D 79  ? 0.2281 0.1655 0.1287 0.0059  0.0083  0.0102  93  SER D O   
3351 C CB  . SER D 79  ? 0.2386 0.1855 0.0961 0.0490  0.0047  0.0260  93  SER D CB  
3352 O OG  . SER D 79  ? 0.2386 0.2064 0.1384 0.0452  0.0194  0.0313  93  SER D OG  
3353 N N   . GLY D 80  ? 0.1960 0.1710 0.1008 0.0159  0.0143  0.0228  94  GLY D N   
3354 C CA  . GLY D 80  ? 0.2159 0.1725 0.1091 0.0061  -0.0102 0.0370  94  GLY D CA  
3355 C C   . GLY D 80  ? 0.2191 0.1674 0.1114 0.0011  0.0125  0.0269  94  GLY D C   
3356 O O   . GLY D 80  ? 0.2182 0.1570 0.1164 -0.0036 0.0033  0.0080  94  GLY D O   
3357 N N   . GLN D 81  ? 0.2203 0.1693 0.0851 0.0109  -0.0091 0.0299  95  GLN D N   
3358 C CA  . GLN D 81  ? 0.2471 0.1837 0.0941 0.0147  0.0050  0.0232  95  GLN D CA  
3359 C C   . GLN D 81  ? 0.2634 0.1941 0.1051 -0.0016 0.0113  0.0601  95  GLN D C   
3360 O O   . GLN D 81  ? 0.2561 0.1996 0.1205 0.0168  -0.0163 0.0428  95  GLN D O   
3361 C CB  . GLN D 81  ? 0.2707 0.2047 0.1687 0.0360  -0.0125 -0.0038 95  GLN D CB  
3362 C CG  . GLN D 81  ? 0.2885 0.2076 0.1935 0.0441  -0.0474 -0.0086 95  GLN D CG  
3363 C CD  . GLN D 81  ? 0.2867 0.1873 0.1819 0.0500  -0.0396 -0.0237 95  GLN D CD  
3364 O OE1 . GLN D 81  ? 0.2645 0.1657 0.1729 0.0355  -0.0270 0.0135  95  GLN D OE1 
3365 N NE2 . GLN D 81  ? 0.3214 0.1932 0.1663 0.0404  -0.0013 -0.0199 95  GLN D NE2 
3366 N N   . TYR D 82  ? 0.2699 0.2089 0.0901 -0.0037 0.0294  0.0470  96  TYR D N   
3367 C CA  . TYR D 82  ? 0.2890 0.2286 0.1020 0.0049  0.0074  0.0408  96  TYR D CA  
3368 C C   . TYR D 82  ? 0.2920 0.2289 0.1439 0.0036  -0.0038 0.0623  96  TYR D C   
3369 O O   . TYR D 82  ? 0.2797 0.2186 0.1723 0.0137  -0.0028 0.0607  96  TYR D O   
3370 C CB  . TYR D 82  ? 0.2928 0.2657 0.0773 -0.0043 -0.0132 0.0198  96  TYR D CB  
3371 C CG  . TYR D 82  ? 0.3003 0.2938 0.0940 -0.0045 -0.0183 0.0315  96  TYR D CG  
3372 C CD1 . TYR D 82  ? 0.3069 0.3005 0.1106 0.0060  0.0244  0.0640  96  TYR D CD1 
3373 C CD2 . TYR D 82  ? 0.2924 0.3208 0.1152 -0.0018 -0.0380 0.0371  96  TYR D CD2 
3374 C CE1 . TYR D 82  ? 0.3121 0.3292 0.1263 0.0025  0.0267  0.0816  96  TYR D CE1 
3375 C CE2 . TYR D 82  ? 0.3080 0.3478 0.1409 0.0069  -0.0407 0.0547  96  TYR D CE2 
3376 C CZ  . TYR D 82  ? 0.3254 0.3446 0.1185 0.0027  -0.0167 0.0779  96  TYR D CZ  
3377 O OH  . TYR D 82  ? 0.3635 0.3948 0.1505 -0.0009 -0.0250 0.0797  96  TYR D OH  
3378 N N   . VAL D 83  ? 0.3148 0.2357 0.1630 0.0017  0.0059  0.0798  97  VAL D N   
3379 C CA  . VAL D 83  ? 0.3368 0.2637 0.2216 0.0038  0.0239  0.1060  97  VAL D CA  
3380 C C   . VAL D 83  ? 0.3316 0.3016 0.2275 -0.0056 0.0009  0.1501  97  VAL D C   
3381 O O   . VAL D 83  ? 0.3321 0.3189 0.2052 -0.0016 -0.0006 0.1459  97  VAL D O   
3382 C CB  . VAL D 83  ? 0.3615 0.2444 0.2866 0.0157  0.0469  0.0903  97  VAL D CB  
3383 C CG1 . VAL D 83  ? 0.3754 0.2469 0.3223 0.0320  0.0159  0.0947  97  VAL D CG1 
3384 C CG2 . VAL D 83  ? 0.3767 0.2391 0.3011 0.0128  0.0412  0.0609  97  VAL D CG2 
3385 N N   . GLY D 84  ? 0.3372 0.3343 0.2854 -0.0111 -0.0141 0.1441  98  GLY D N   
3386 C CA  . GLY D 84  ? 0.3683 0.3556 0.2999 -0.0076 -0.0135 0.1693  98  GLY D CA  
3387 C C   . GLY D 84  ? 0.4043 0.3797 0.3201 0.0043  -0.0027 0.1829  98  GLY D C   
3388 O O   . GLY D 84  ? 0.4444 0.3733 0.3745 0.0059  -0.0126 0.1894  98  GLY D O   
3389 N N   . GLY D 85  ? 0.4018 0.4022 0.3323 -0.0015 0.0411  0.1740  99  GLY D N   
3390 C CA  . GLY D 85  ? 0.3863 0.4056 0.3092 0.0131  0.0634  0.1692  99  GLY D CA  
3391 C C   . GLY D 85  ? 0.3824 0.3964 0.2976 0.0247  0.0541  0.1574  99  GLY D C   
3392 O O   . GLY D 85  ? 0.3816 0.3988 0.2989 0.0380  0.0469  0.1460  99  GLY D O   
3393 N N   . ALA D 86  ? 0.3629 0.3759 0.2742 0.0261  0.0611  0.1557  100 ALA D N   
3394 C CA  . ALA D 86  ? 0.3585 0.3631 0.2771 0.0248  0.0635  0.1458  100 ALA D CA  
3395 C C   . ALA D 86  ? 0.3847 0.3669 0.2747 0.0133  0.0605  0.1217  100 ALA D C   
3396 O O   . ALA D 86  ? 0.4167 0.3869 0.3044 0.0104  0.0517  0.1054  100 ALA D O   
3397 C CB  . ALA D 86  ? 0.3641 0.3571 0.2844 0.0314  0.0537  0.1577  100 ALA D CB  
3398 N N   . GLU D 87  ? 0.4026 0.3458 0.2680 0.0050  0.0611  0.1297  101 GLU D N   
3399 C CA  . GLU D 87  ? 0.4174 0.3365 0.2867 0.0011  0.0426  0.1259  101 GLU D CA  
3400 C C   . GLU D 87  ? 0.4004 0.3125 0.2427 -0.0048 0.0509  0.1361  101 GLU D C   
3401 O O   . GLU D 87  ? 0.4065 0.3144 0.2852 -0.0053 0.0539  0.1183  101 GLU D O   
3402 C CB  . GLU D 87  ? 0.4385 0.3442 0.3524 -0.0048 0.0251  0.1212  101 GLU D CB  
3403 C CG  . GLU D 87  ? 0.4515 0.3605 0.3908 0.0009  0.0218  0.1072  101 GLU D CG  
3404 C CD  . GLU D 87  ? 0.4614 0.3695 0.4113 0.0079  0.0053  0.1020  101 GLU D CD  
3405 O OE1 . GLU D 87  ? 0.4689 0.3751 0.4305 0.0108  -0.0063 0.0920  101 GLU D OE1 
3406 O OE2 . GLU D 87  ? 0.4672 0.3737 0.4156 0.0104  0.0064  0.1030  101 GLU D OE2 
3407 N N   . ALA D 88  ? 0.3652 0.2944 0.2120 -0.0086 0.0319  0.1242  102 ALA D N   
3408 C CA  . ALA D 88  ? 0.3277 0.2652 0.1955 -0.0124 0.0038  0.1091  102 ALA D CA  
3409 C C   . ALA D 88  ? 0.3019 0.2456 0.1726 -0.0189 0.0062  0.0769  102 ALA D C   
3410 O O   . ALA D 88  ? 0.3025 0.2503 0.1768 -0.0232 0.0079  0.0775  102 ALA D O   
3411 C CB  . ALA D 88  ? 0.3256 0.2748 0.2177 -0.0232 -0.0248 0.1046  102 ALA D CB  
3412 N N   . ARG D 89  ? 0.2920 0.2118 0.1289 -0.0213 0.0160  0.0696  103 ARG D N   
3413 C CA  . ARG D 89  ? 0.3098 0.1986 0.1172 -0.0343 0.0234  0.0554  103 ARG D CA  
3414 C C   . ARG D 89  ? 0.3116 0.2143 0.1161 -0.0408 0.0256  0.0536  103 ARG D C   
3415 O O   . ARG D 89  ? 0.3331 0.2444 0.1679 -0.0386 -0.0069 0.0635  103 ARG D O   
3416 C CB  . ARG D 89  ? 0.3370 0.1953 0.2094 -0.0372 0.0131  0.0181  103 ARG D CB  
3417 C CG  . ARG D 89  ? 0.3477 0.2082 0.2711 -0.0344 0.0119  0.0199  103 ARG D CG  
3418 C CD  . ARG D 89  ? 0.3553 0.2244 0.3307 -0.0202 0.0093  0.0076  103 ARG D CD  
3419 N NE  . ARG D 89  ? 0.3735 0.2474 0.3951 -0.0254 0.0131  -0.0028 103 ARG D NE  
3420 C CZ  . ARG D 89  ? 0.3898 0.2501 0.3874 -0.0425 0.0298  -0.0133 103 ARG D CZ  
3421 N NH1 . ARG D 89  ? 0.3899 0.2518 0.3806 -0.0498 0.0310  -0.0091 103 ARG D NH1 
3422 N NH2 . ARG D 89  ? 0.4102 0.2627 0.4067 -0.0467 0.0355  -0.0283 103 ARG D NH2 
3423 N N   . ILE D 90  ? 0.2895 0.1988 0.0892 -0.0369 0.0099  0.0298  104 ILE D N   
3424 C CA  . ILE D 90  ? 0.2728 0.1837 0.1010 -0.0404 0.0086  0.0307  104 ILE D CA  
3425 C C   . ILE D 90  ? 0.2685 0.1897 0.1097 -0.0426 0.0186  0.0364  104 ILE D C   
3426 O O   . ILE D 90  ? 0.2663 0.2028 0.1171 -0.0520 0.0120  0.0135  104 ILE D O   
3427 C CB  . ILE D 90  ? 0.2663 0.1827 0.0982 -0.0587 0.0120  0.0204  104 ILE D CB  
3428 C CG1 . ILE D 90  ? 0.2701 0.1888 0.1333 -0.0356 0.0005  0.0153  104 ILE D CG1 
3429 C CG2 . ILE D 90  ? 0.2917 0.1987 0.1195 -0.0451 -0.0067 0.0285  104 ILE D CG2 
3430 C CD1 . ILE D 90  ? 0.2850 0.1896 0.1824 -0.0331 0.0085  0.0152  104 ILE D CD1 
3431 N N   . ASN D 91  ? 0.2544 0.1768 0.1054 -0.0319 0.0126  0.0141  105 ASN D N   
3432 C CA  . ASN D 91  ? 0.2627 0.1668 0.1334 -0.0182 0.0143  0.0093  105 ASN D CA  
3433 C C   . ASN D 91  ? 0.2501 0.1618 0.1011 -0.0116 0.0248  0.0047  105 ASN D C   
3434 O O   . ASN D 91  ? 0.2625 0.1679 0.1247 -0.0263 0.0132  0.0151  105 ASN D O   
3435 C CB  . ASN D 91  ? 0.2891 0.1841 0.1895 -0.0071 0.0525  0.0312  105 ASN D CB  
3436 C CG  . ASN D 91  ? 0.3075 0.2110 0.2604 -0.0019 0.0419  0.0537  105 ASN D CG  
3437 O OD1 . ASN D 91  ? 0.3020 0.2272 0.2906 -0.0074 0.0360  0.0616  105 ASN D OD1 
3438 N ND2 . ASN D 91  ? 0.3313 0.2143 0.3001 0.0163  0.0428  0.0543  105 ASN D ND2 
3439 N N   . THR D 92  ? 0.2274 0.1646 0.0941 0.0087  0.0012  0.0135  106 THR D N   
3440 C CA  . THR D 92  ? 0.2370 0.1552 0.0847 -0.0043 0.0127  0.0194  106 THR D CA  
3441 C C   . THR D 92  ? 0.2180 0.1492 0.1114 -0.0069 0.0128  0.0199  106 THR D C   
3442 O O   . THR D 92  ? 0.2215 0.1575 0.1441 0.0030  0.0206  0.0051  106 THR D O   
3443 C CB  . THR D 92  ? 0.2369 0.1511 0.1182 0.0076  0.0066  -0.0089 106 THR D CB  
3444 O OG1 . THR D 92  ? 0.2329 0.1426 0.1479 0.0055  0.0111  -0.0080 106 THR D OG1 
3445 C CG2 . THR D 92  ? 0.2407 0.1471 0.1170 0.0271  0.0066  -0.0212 106 THR D CG2 
3446 N N   . GLN D 93  ? 0.2095 0.1340 0.0844 -0.0007 0.0000  0.0286  107 GLN D N   
3447 C CA  . GLN D 93  ? 0.2250 0.1282 0.1070 0.0276  0.0163  -0.0103 107 GLN D CA  
3448 C C   . GLN D 93  ? 0.2218 0.1277 0.1085 0.0027  0.0008  -0.0146 107 GLN D C   
3449 O O   . GLN D 93  ? 0.2333 0.1449 0.1278 0.0010  0.0006  -0.0132 107 GLN D O   
3450 C CB  . GLN D 93  ? 0.2523 0.1370 0.1443 0.0386  0.0227  0.0037  107 GLN D CB  
3451 C CG  . GLN D 93  ? 0.2816 0.1497 0.1716 0.0388  0.0281  -0.0150 107 GLN D CG  
3452 C CD  . GLN D 93  ? 0.2941 0.1846 0.1576 0.0350  0.0121  0.0068  107 GLN D CD  
3453 O OE1 . GLN D 93  ? 0.2877 0.2300 0.1984 0.0364  -0.0167 -0.0276 107 GLN D OE1 
3454 N NE2 . GLN D 93  ? 0.2912 0.1742 0.1451 0.0085  0.0187  0.0150  107 GLN D NE2 
3455 N N   . TRP D 94  ? 0.2415 0.1312 0.0943 0.0081  0.0027  0.0011  108 TRP D N   
3456 C CA  . TRP D 94  ? 0.2319 0.1369 0.0795 0.0043  0.0100  -0.0050 108 TRP D CA  
3457 C C   . TRP D 94  ? 0.2171 0.1307 0.0815 0.0015  0.0045  -0.0138 108 TRP D C   
3458 O O   . TRP D 94  ? 0.2194 0.1392 0.0913 -0.0019 0.0184  -0.0107 108 TRP D O   
3459 C CB  . TRP D 94  ? 0.2420 0.1629 0.0950 0.0165  0.0101  -0.0155 108 TRP D CB  
3460 C CG  . TRP D 94  ? 0.2452 0.1537 0.1056 0.0113  0.0109  -0.0037 108 TRP D CG  
3461 C CD1 . TRP D 94  ? 0.2505 0.1528 0.1352 0.0099  0.0385  -0.0047 108 TRP D CD1 
3462 C CD2 . TRP D 94  ? 0.2364 0.1473 0.0938 0.0131  0.0244  -0.0043 108 TRP D CD2 
3463 N NE1 . TRP D 94  ? 0.2540 0.1683 0.1426 0.0154  0.0217  -0.0138 108 TRP D NE1 
3464 C CE2 . TRP D 94  ? 0.2489 0.1609 0.1078 0.0119  -0.0026 -0.0101 108 TRP D CE2 
3465 C CE3 . TRP D 94  ? 0.2491 0.1371 0.0970 0.0152  0.0060  -0.0268 108 TRP D CE3 
3466 C CZ2 . TRP D 94  ? 0.2545 0.1621 0.1164 0.0194  0.0160  -0.0077 108 TRP D CZ2 
3467 C CZ3 . TRP D 94  ? 0.2596 0.1503 0.1283 -0.0012 0.0137  -0.0105 108 TRP D CZ3 
3468 C CH2 . TRP D 94  ? 0.2536 0.1559 0.1386 0.0016  -0.0034 -0.0040 108 TRP D CH2 
3469 N N   . LEU D 95  ? 0.2249 0.1353 0.1130 0.0148  -0.0125 0.0028  109 LEU D N   
3470 C CA  . LEU D 95  ? 0.2414 0.1482 0.0948 0.0415  -0.0043 0.0179  109 LEU D CA  
3471 C C   . LEU D 95  ? 0.2458 0.1703 0.0905 0.0452  -0.0047 -0.0094 109 LEU D C   
3472 O O   . LEU D 95  ? 0.2597 0.2089 0.1264 0.0579  -0.0307 -0.0674 109 LEU D O   
3473 C CB  . LEU D 95  ? 0.2367 0.1464 0.1263 0.0224  -0.0058 -0.0096 109 LEU D CB  
3474 C CG  . LEU D 95  ? 0.2444 0.1556 0.1145 0.0259  0.0100  0.0107  109 LEU D CG  
3475 C CD1 . LEU D 95  ? 0.2433 0.1693 0.1629 0.0197  0.0136  0.0313  109 LEU D CD1 
3476 C CD2 . LEU D 95  ? 0.2819 0.1848 0.0963 -0.0027 0.0216  -0.0174 109 LEU D CD2 
3477 N N   . LEU D 96  ? 0.2411 0.1561 0.1138 0.0432  0.0017  -0.0051 110 LEU D N   
3478 C CA  . LEU D 96  ? 0.2418 0.1501 0.1200 0.0371  -0.0076 -0.0110 110 LEU D CA  
3479 C C   . LEU D 96  ? 0.2493 0.1388 0.1260 0.0434  -0.0097 -0.0118 110 LEU D C   
3480 O O   . LEU D 96  ? 0.2507 0.1490 0.1247 0.0320  -0.0137 -0.0351 110 LEU D O   
3481 C CB  . LEU D 96  ? 0.2784 0.1598 0.1365 0.0159  0.0013  0.0076  110 LEU D CB  
3482 C CG  . LEU D 96  ? 0.2910 0.1829 0.1752 0.0109  0.0145  0.0047  110 LEU D CG  
3483 C CD1 . LEU D 96  ? 0.2910 0.1936 0.1705 0.0264  0.0022  -0.0230 110 LEU D CD1 
3484 C CD2 . LEU D 96  ? 0.2856 0.1828 0.1994 0.0067  0.0234  0.0291  110 LEU D CD2 
3485 N N   . THR D 97  ? 0.2446 0.1370 0.1346 0.0337  -0.0204 -0.0079 111 THR D N   
3486 C CA  . THR D 97  ? 0.2616 0.1459 0.1087 0.0532  -0.0146 -0.0091 111 THR D CA  
3487 C C   . THR D 97  ? 0.2657 0.1628 0.1095 0.0557  -0.0295 -0.0272 111 THR D C   
3488 O O   . THR D 97  ? 0.2750 0.1812 0.1291 0.0501  -0.0225 -0.0359 111 THR D O   
3489 C CB  . THR D 97  ? 0.3042 0.1527 0.1342 0.0473  -0.0150 0.0056  111 THR D CB  
3490 O OG1 . THR D 97  ? 0.2926 0.1558 0.1412 0.0500  0.0049  0.0092  111 THR D OG1 
3491 C CG2 . THR D 97  ? 0.3264 0.1689 0.1604 0.0504  -0.0143 0.0163  111 THR D CG2 
3492 N N   . SER D 98  ? 0.2754 0.1742 0.1299 0.0706  -0.0347 -0.0240 112 SER D N   
3493 C CA  . SER D 98  ? 0.3060 0.1950 0.1395 0.0853  -0.0375 -0.0308 112 SER D CA  
3494 C C   . SER D 98  ? 0.3238 0.1943 0.1275 0.1032  -0.0327 -0.0372 112 SER D C   
3495 O O   . SER D 98  ? 0.3401 0.2059 0.1272 0.1091  -0.0092 -0.0254 112 SER D O   
3496 C CB  . SER D 98  ? 0.2947 0.2092 0.1710 0.0818  -0.0453 -0.0358 112 SER D CB  
3497 O OG  . SER D 98  ? 0.2804 0.2124 0.1800 0.0871  -0.0123 -0.0412 112 SER D OG  
3498 N N   . GLY D 99  ? 0.3278 0.1989 0.1262 0.1096  -0.0534 -0.0321 113 GLY D N   
3499 C CA  . GLY D 99  ? 0.3372 0.2141 0.1348 0.1116  -0.0601 0.0008  113 GLY D CA  
3500 C C   . GLY D 99  ? 0.3418 0.2400 0.1723 0.1109  -0.0587 0.0104  113 GLY D C   
3501 O O   . GLY D 99  ? 0.3478 0.2756 0.2210 0.0982  -0.0642 0.0177  113 GLY D O   
3502 N N   . THR D 100 ? 0.3485 0.2334 0.1547 0.0956  -0.0518 -0.0079 114 THR D N   
3503 C CA  . THR D 100 ? 0.3558 0.2332 0.1586 0.0999  -0.0558 -0.0183 114 THR D CA  
3504 C C   . THR D 100 ? 0.3649 0.2402 0.1557 0.1215  -0.0639 -0.0123 114 THR D C   
3505 O O   . THR D 100 ? 0.3738 0.2400 0.1591 0.1230  -0.0469 -0.0290 114 THR D O   
3506 C CB  . THR D 100 ? 0.3347 0.2266 0.1604 0.0975  -0.0514 -0.0252 114 THR D CB  
3507 O OG1 . THR D 100 ? 0.3243 0.2165 0.1925 0.0859  -0.0506 -0.0250 114 THR D OG1 
3508 C CG2 . THR D 100 ? 0.3298 0.2348 0.1890 0.1040  -0.0431 -0.0123 114 THR D CG2 
3509 N N   . THR D 101 ? 0.3919 0.2495 0.1819 0.1357  -0.0531 0.0026  115 THR D N   
3510 C CA  . THR D 101 ? 0.4108 0.2554 0.1734 0.1295  -0.0470 0.0001  115 THR D CA  
3511 C C   . THR D 101 ? 0.4215 0.2436 0.1797 0.1076  -0.0332 0.0060  115 THR D C   
3512 O O   . THR D 101 ? 0.4105 0.2247 0.1617 0.0991  -0.0228 -0.0006 115 THR D O   
3513 C CB  . THR D 101 ? 0.4289 0.2790 0.1961 0.1249  -0.0630 -0.0133 115 THR D CB  
3514 O OG1 . THR D 101 ? 0.4372 0.3043 0.2162 0.1075  -0.0755 -0.0339 115 THR D OG1 
3515 C CG2 . THR D 101 ? 0.4318 0.2777 0.2127 0.1328  -0.0771 0.0031  115 THR D CG2 
3516 N N   . GLU D 102 ? 0.4336 0.2456 0.2260 0.0998  -0.0192 0.0152  116 GLU D N   
3517 C CA  . GLU D 102 ? 0.4298 0.2587 0.2320 0.0764  -0.0057 0.0149  116 GLU D CA  
3518 C C   . GLU D 102 ? 0.4202 0.2405 0.1970 0.0772  -0.0374 0.0164  116 GLU D C   
3519 O O   . GLU D 102 ? 0.4121 0.2216 0.1867 0.0812  -0.0181 0.0164  116 GLU D O   
3520 C CB  . GLU D 102 ? 0.4535 0.3005 0.2788 0.0413  0.0079  0.0032  116 GLU D CB  
3521 C CG  . GLU D 102 ? 0.4847 0.3681 0.3562 0.0265  0.0309  -0.0031 116 GLU D CG  
3522 C CD  . GLU D 102 ? 0.5183 0.4370 0.4450 0.0223  0.0685  -0.0087 116 GLU D CD  
3523 O OE1 . GLU D 102 ? 0.5374 0.4632 0.4912 0.0149  0.0694  -0.0199 116 GLU D OE1 
3524 O OE2 . GLU D 102 ? 0.5244 0.4603 0.4929 0.0305  0.0970  -0.0088 116 GLU D OE2 
3525 N N   . ALA D 103 ? 0.4267 0.2434 0.1815 0.0875  -0.0394 0.0201  117 ALA D N   
3526 C CA  . ALA D 103 ? 0.4127 0.2493 0.1940 0.0886  -0.0708 0.0040  117 ALA D CA  
3527 C C   . ALA D 103 ? 0.3912 0.2477 0.1890 0.0917  -0.0668 -0.0030 117 ALA D C   
3528 O O   . ALA D 103 ? 0.3974 0.2406 0.2085 0.0928  -0.0825 -0.0087 117 ALA D O   
3529 C CB  . ALA D 103 ? 0.4258 0.2622 0.2048 0.0843  -0.0954 -0.0240 117 ALA D CB  
3530 N N   . ASN D 104 ? 0.3545 0.2503 0.1674 0.0952  -0.0850 0.0020  118 ASN D N   
3531 C CA  . ASN D 104 ? 0.3459 0.2594 0.1944 0.0907  -0.0671 -0.0109 118 ASN D CA  
3532 C C   . ASN D 104 ? 0.3300 0.2265 0.1692 0.0907  -0.0854 -0.0088 118 ASN D C   
3533 O O   . ASN D 104 ? 0.3377 0.2199 0.1609 0.0745  -0.0603 -0.0257 118 ASN D O   
3534 C CB  . ASN D 104 ? 0.3594 0.2911 0.2228 0.0792  -0.0793 -0.0291 118 ASN D CB  
3535 C CG  . ASN D 104 ? 0.3733 0.3148 0.2684 0.0624  -0.0964 -0.0566 118 ASN D CG  
3536 O OD1 . ASN D 104 ? 0.3906 0.3287 0.2988 0.0480  -0.1064 -0.0572 118 ASN D OD1 
3537 N ND2 . ASN D 104 ? 0.3780 0.3236 0.3044 0.0572  -0.0788 -0.0573 118 ASN D ND2 
3538 N N   . ALA D 105 ? 0.3053 0.2086 0.1573 0.0963  -0.0480 -0.0068 119 ALA D N   
3539 C CA  . ALA D 105 ? 0.3082 0.2108 0.1636 0.0792  -0.0566 -0.0134 119 ALA D CA  
3540 C C   . ALA D 105 ? 0.2987 0.2038 0.1420 0.0807  -0.0400 -0.0351 119 ALA D C   
3541 O O   . ALA D 105 ? 0.2916 0.2265 0.1353 0.0753  -0.0311 -0.0196 119 ALA D O   
3542 C CB  . ALA D 105 ? 0.3209 0.2215 0.1738 0.0686  -0.0494 -0.0170 119 ALA D CB  
3543 N N   . TRP D 106 ? 0.3205 0.1979 0.1614 0.0833  -0.0350 -0.0494 120 TRP D N   
3544 C CA  . TRP D 106 ? 0.3384 0.2042 0.1441 0.0713  -0.0275 -0.0445 120 TRP D CA  
3545 C C   . TRP D 106 ? 0.3447 0.2032 0.1625 0.0584  -0.0451 -0.0260 120 TRP D C   
3546 O O   . TRP D 106 ? 0.3357 0.2027 0.1677 0.0817  -0.0429 -0.0133 120 TRP D O   
3547 C CB  . TRP D 106 ? 0.3676 0.2236 0.1427 0.0506  -0.0369 -0.0465 120 TRP D CB  
3548 C CG  . TRP D 106 ? 0.3989 0.2357 0.1668 0.0554  -0.0478 -0.0273 120 TRP D CG  
3549 C CD1 . TRP D 106 ? 0.4084 0.2349 0.1834 0.0580  -0.0431 -0.0461 120 TRP D CD1 
3550 C CD2 . TRP D 106 ? 0.4132 0.2293 0.1755 0.0444  -0.0457 -0.0015 120 TRP D CD2 
3551 N NE1 . TRP D 106 ? 0.4139 0.2396 0.1927 0.0480  -0.0680 -0.0216 120 TRP D NE1 
3552 C CE2 . TRP D 106 ? 0.4245 0.2378 0.2052 0.0358  -0.0579 -0.0129 120 TRP D CE2 
3553 C CE3 . TRP D 106 ? 0.4259 0.2343 0.1837 0.0357  -0.0501 0.0011  120 TRP D CE3 
3554 C CZ2 . TRP D 106 ? 0.4243 0.2458 0.2293 0.0278  -0.0703 0.0054  120 TRP D CZ2 
3555 C CZ3 . TRP D 106 ? 0.4315 0.2388 0.1961 0.0235  -0.0674 -0.0017 120 TRP D CZ3 
3556 C CH2 . TRP D 106 ? 0.4260 0.2435 0.2230 0.0190  -0.0663 -0.0004 120 TRP D CH2 
3557 N N   . LYS D 107 ? 0.3325 0.2091 0.1325 0.0408  -0.0541 -0.0257 121 LYS D N   
3558 C CA  . LYS D 107 ? 0.3065 0.2212 0.1694 0.0326  -0.0609 -0.0196 121 LYS D CA  
3559 C C   . LYS D 107 ? 0.2872 0.2035 0.1638 0.0330  -0.0470 -0.0187 121 LYS D C   
3560 O O   . LYS D 107 ? 0.2724 0.2251 0.1763 0.0182  -0.0482 0.0087  121 LYS D O   
3561 C CB  . LYS D 107 ? 0.3089 0.2351 0.2223 0.0499  -0.0709 -0.0127 121 LYS D CB  
3562 C CG  . LYS D 107 ? 0.3086 0.2592 0.2662 0.0445  -0.0971 -0.0094 121 LYS D CG  
3563 C CD  . LYS D 107 ? 0.3210 0.2852 0.2903 0.0472  -0.1265 -0.0091 121 LYS D CD  
3564 C CE  . LYS D 107 ? 0.3260 0.3219 0.3460 0.0455  -0.1413 -0.0103 121 LYS D CE  
3565 N NZ  . LYS D 107 ? 0.3530 0.3455 0.4025 0.0422  -0.1288 -0.0188 121 LYS D NZ  
3566 N N   . SER D 108 ? 0.3002 0.1703 0.1304 0.0459  -0.0431 -0.0246 122 SER D N   
3567 C CA  . SER D 108 ? 0.2969 0.1476 0.1038 0.0483  -0.0388 -0.0095 122 SER D CA  
3568 C C   . SER D 108 ? 0.2645 0.1494 0.1102 0.0497  -0.0294 -0.0063 122 SER D C   
3569 O O   . SER D 108 ? 0.2745 0.1565 0.1204 0.0418  -0.0261 -0.0263 122 SER D O   
3570 C CB  . SER D 108 ? 0.3509 0.1612 0.1423 0.0576  -0.0149 -0.0203 122 SER D CB  
3571 O OG  . SER D 108 ? 0.3832 0.1893 0.1619 0.0168  0.0190  -0.0228 122 SER D OG  
3572 N N   . THR D 109 ? 0.2315 0.1411 0.1040 0.0361  -0.0243 0.0030  123 THR D N   
3573 C CA  . THR D 109 ? 0.2202 0.1341 0.1127 0.0452  -0.0133 -0.0030 123 THR D CA  
3574 C C   . THR D 109 ? 0.2204 0.1414 0.1075 0.0449  0.0139  -0.0149 123 THR D C   
3575 O O   . THR D 109 ? 0.2291 0.1467 0.1317 0.0438  0.0240  -0.0170 123 THR D O   
3576 C CB  . THR D 109 ? 0.2088 0.1316 0.1397 0.0468  0.0047  0.0075  123 THR D CB  
3577 O OG1 . THR D 109 ? 0.2429 0.1376 0.1803 0.0290  -0.0047 0.0069  123 THR D OG1 
3578 C CG2 . THR D 109 ? 0.2015 0.1367 0.1375 0.0536  -0.0079 0.0150  123 THR D CG2 
3579 N N   . LEU D 110 ? 0.2224 0.1498 0.1079 0.0207  0.0097  -0.0174 124 LEU D N   
3580 C CA  . LEU D 110 ? 0.2097 0.1529 0.0957 0.0205  -0.0011 -0.0129 124 LEU D CA  
3581 C C   . LEU D 110 ? 0.2216 0.1471 0.1042 0.0243  -0.0054 -0.0187 124 LEU D C   
3582 O O   . LEU D 110 ? 0.2416 0.1500 0.1132 0.0283  -0.0057 -0.0242 124 LEU D O   
3583 C CB  . LEU D 110 ? 0.2147 0.1671 0.1296 0.0209  -0.0112 -0.0186 124 LEU D CB  
3584 C CG  . LEU D 110 ? 0.2356 0.1787 0.1437 0.0252  0.0073  -0.0192 124 LEU D CG  
3585 C CD1 . LEU D 110 ? 0.2412 0.1867 0.1769 0.0348  0.0437  -0.0318 124 LEU D CD1 
3586 C CD2 . LEU D 110 ? 0.2388 0.1891 0.1565 0.0204  -0.0050 -0.0128 124 LEU D CD2 
3587 N N   . VAL D 111 ? 0.2224 0.1480 0.1021 0.0212  0.0015  -0.0090 125 VAL D N   
3588 C CA  . VAL D 111 ? 0.2128 0.1483 0.1047 0.0116  0.0037  -0.0031 125 VAL D CA  
3589 C C   . VAL D 111 ? 0.1963 0.1530 0.1150 0.0003  -0.0064 -0.0262 125 VAL D C   
3590 O O   . VAL D 111 ? 0.2151 0.1618 0.1352 -0.0001 -0.0032 -0.0300 125 VAL D O   
3591 C CB  . VAL D 111 ? 0.2561 0.1719 0.0829 0.0174  -0.0141 -0.0053 125 VAL D CB  
3592 C CG1 . VAL D 111 ? 0.2615 0.1736 0.0959 0.0074  0.0123  -0.0371 125 VAL D CG1 
3593 C CG2 . VAL D 111 ? 0.2604 0.1725 0.0999 0.0330  -0.0154 0.0093  125 VAL D CG2 
3594 N N   . GLY D 112 ? 0.2095 0.1391 0.1020 0.0133  0.0039  -0.0109 126 GLY D N   
3595 C CA  . GLY D 112 ? 0.2252 0.1332 0.1038 0.0090  0.0004  -0.0090 126 GLY D CA  
3596 C C   . GLY D 112 ? 0.2501 0.1322 0.1100 0.0003  0.0209  -0.0040 126 GLY D C   
3597 O O   . GLY D 112 ? 0.2303 0.1470 0.1188 0.0065  0.0037  -0.0014 126 GLY D O   
3598 N N   . HIS D 113 ? 0.2648 0.1473 0.1129 -0.0079 -0.0053 0.0158  127 HIS D N   
3599 C CA  . HIS D 113 ? 0.2667 0.1742 0.1137 -0.0193 0.0073  0.0122  127 HIS D CA  
3600 C C   . HIS D 113 ? 0.2569 0.2132 0.1147 -0.0373 0.0251  0.0118  127 HIS D C   
3601 O O   . HIS D 113 ? 0.2646 0.2631 0.1361 -0.0373 -0.0014 0.0052  127 HIS D O   
3602 C CB  . HIS D 113 ? 0.3076 0.1886 0.1877 -0.0234 -0.0088 0.0009  127 HIS D CB  
3603 C CG  . HIS D 113 ? 0.3494 0.2126 0.2430 -0.0353 -0.0130 -0.0058 127 HIS D CG  
3604 N ND1 . HIS D 113 ? 0.3795 0.2264 0.3109 -0.0510 0.0044  -0.0170 127 HIS D ND1 
3605 C CD2 . HIS D 113 ? 0.3630 0.2200 0.2905 -0.0377 -0.0342 -0.0311 127 HIS D CD2 
3606 C CE1 . HIS D 113 ? 0.3860 0.2297 0.3298 -0.0456 -0.0052 -0.0186 127 HIS D CE1 
3607 N NE2 . HIS D 113 ? 0.3818 0.2395 0.3326 -0.0391 -0.0334 -0.0339 127 HIS D NE2 
3608 N N   . ASP D 114 ? 0.2653 0.1994 0.0955 -0.0156 0.0183  -0.0055 128 ASP D N   
3609 C CA  A ASP D 114 ? 0.2666 0.2029 0.0879 -0.0057 0.0072  0.0001  128 ASP D CA  
3610 C CA  B ASP D 114 ? 0.2647 0.2035 0.0743 -0.0127 -0.0005 0.0007  128 ASP D CA  
3611 C C   . ASP D 114 ? 0.2670 0.2001 0.0825 -0.0025 0.0049  0.0098  128 ASP D C   
3612 O O   . ASP D 114 ? 0.2661 0.2052 0.1309 0.0039  0.0423  0.0247  128 ASP D O   
3613 C CB  A ASP D 114 ? 0.2621 0.2059 0.1155 0.0001  0.0091  0.0001  128 ASP D CB  
3614 C CB  B ASP D 114 ? 0.2674 0.2082 0.1028 -0.0186 0.0095  -0.0012 128 ASP D CB  
3615 C CG  A ASP D 114 ? 0.2506 0.2083 0.1502 -0.0019 0.0239  -0.0098 128 ASP D CG  
3616 C CG  B ASP D 114 ? 0.2638 0.2185 0.1404 -0.0289 0.0211  -0.0248 128 ASP D CG  
3617 O OD1 A ASP D 114 ? 0.2494 0.2136 0.1620 0.0091  0.0408  -0.0173 128 ASP D OD1 
3618 O OD1 B ASP D 114 ? 0.2627 0.2371 0.1539 -0.0287 0.0376  -0.0295 128 ASP D OD1 
3619 O OD2 A ASP D 114 ? 0.2467 0.2149 0.1751 -0.0129 0.0109  0.0005  128 ASP D OD2 
3620 O OD2 B ASP D 114 ? 0.2655 0.2198 0.1682 -0.0533 -0.0287 -0.0129 128 ASP D OD2 
3621 N N   . THR D 115 ? 0.2993 0.1976 0.0887 0.0015  -0.0156 0.0082  129 THR D N   
3622 C CA  . THR D 115 ? 0.3143 0.2086 0.0828 0.0229  0.0111  0.0148  129 THR D CA  
3623 C C   . THR D 115 ? 0.2827 0.2096 0.0968 0.0004  0.0299  0.0216  129 THR D C   
3624 O O   . THR D 115 ? 0.2641 0.2078 0.1504 -0.0080 0.0154  0.0020  129 THR D O   
3625 C CB  . THR D 115 ? 0.3833 0.2340 0.1203 0.0541  -0.0024 0.0033  129 THR D CB  
3626 O OG1 . THR D 115 ? 0.4381 0.2628 0.1938 0.0352  0.0216  -0.0122 129 THR D OG1 
3627 C CG2 . THR D 115 ? 0.3821 0.2353 0.1471 0.0852  -0.0094 -0.0007 129 THR D CG2 
3628 N N   . PHE D 116 ? 0.2730 0.1931 0.1024 -0.0163 -0.0002 0.0264  130 PHE D N   
3629 C CA  . PHE D 116 ? 0.2881 0.1820 0.1064 -0.0198 0.0128  0.0174  130 PHE D CA  
3630 C C   . PHE D 116 ? 0.2856 0.1933 0.1043 -0.0327 0.0070  0.0060  130 PHE D C   
3631 O O   . PHE D 116 ? 0.2722 0.2012 0.1072 -0.0435 0.0194  0.0194  130 PHE D O   
3632 C CB  . PHE D 116 ? 0.2931 0.1809 0.1118 -0.0253 0.0170  -0.0026 130 PHE D CB  
3633 C CG  . PHE D 116 ? 0.2918 0.1814 0.0977 -0.0097 0.0261  0.0060  130 PHE D CG  
3634 C CD1 . PHE D 116 ? 0.2922 0.1840 0.0878 -0.0028 0.0149  0.0032  130 PHE D CD1 
3635 C CD2 . PHE D 116 ? 0.3018 0.1977 0.1248 -0.0229 0.0320  0.0186  130 PHE D CD2 
3636 C CE1 . PHE D 116 ? 0.2775 0.1809 0.1084 -0.0181 -0.0002 0.0146  130 PHE D CE1 
3637 C CE2 . PHE D 116 ? 0.2984 0.1960 0.1354 -0.0207 0.0646  0.0199  130 PHE D CE2 
3638 C CZ  . PHE D 116 ? 0.2931 0.1847 0.1191 -0.0256 0.0151  0.0086  130 PHE D CZ  
3639 N N   . THR D 117 ? 0.2843 0.1992 0.0756 -0.0169 0.0172  0.0113  131 THR D N   
3640 C CA  . THR D 117 ? 0.2977 0.2044 0.0996 -0.0139 0.0250  -0.0015 131 THR D CA  
3641 C C   . THR D 117 ? 0.2605 0.2111 0.0899 -0.0045 0.0294  0.0075  131 THR D C   
3642 O O   . THR D 117 ? 0.2319 0.1969 0.1332 -0.0154 0.0272  0.0122  131 THR D O   
3643 C CB  . THR D 117 ? 0.3489 0.2172 0.2262 -0.0112 0.0232  -0.0019 131 THR D CB  
3644 O OG1 . THR D 117 ? 0.3733 0.2475 0.3191 -0.0394 0.0240  -0.0096 131 THR D OG1 
3645 C CG2 . THR D 117 ? 0.3730 0.2179 0.2261 -0.0065 0.0294  -0.0030 131 THR D CG2 
3646 N N   . LYS D 118 ? 0.2834 0.2421 0.0994 0.0033  0.0338  0.0095  132 LYS D N   
3647 C CA  . LYS D 118 ? 0.2794 0.2814 0.0835 0.0037  0.0156  0.0341  132 LYS D CA  
3648 C C   . LYS D 118 ? 0.2876 0.2853 0.1033 -0.0262 0.0258  0.0513  132 LYS D C   
3649 O O   . LYS D 118 ? 0.2771 0.2702 0.1308 -0.0079 0.0359  0.0434  132 LYS D O   
3650 C CB  . LYS D 118 ? 0.3016 0.3231 0.1124 -0.0004 -0.0134 0.0066  132 LYS D CB  
3651 C CG  . LYS D 118 ? 0.3259 0.3572 0.1628 0.0015  -0.0255 -0.0151 132 LYS D CG  
3652 C CD  . LYS D 118 ? 0.3715 0.3818 0.2452 0.0077  -0.0358 -0.0147 132 LYS D CD  
3653 C CE  . LYS D 118 ? 0.4157 0.3975 0.3269 0.0283  0.0061  -0.0092 132 LYS D CE  
3654 N NZ  . LYS D 118 ? 0.4550 0.4143 0.3745 0.0447  0.0318  -0.0153 132 LYS D NZ  
3655 N N   . VAL D 119 ? 0.3152 0.3050 0.1890 -0.0778 0.0070  0.0612  133 VAL D N   
3656 C CA  . VAL D 119 ? 0.3741 0.3338 0.2418 -0.1064 -0.0035 0.0809  133 VAL D CA  
3657 C C   . VAL D 119 ? 0.4061 0.3625 0.3321 -0.1059 0.0036  0.0645  133 VAL D C   
3658 O O   . VAL D 119 ? 0.4347 0.3855 0.3424 -0.1007 0.0063  0.0554  133 VAL D O   
3659 C CB  . VAL D 119 ? 0.4131 0.3458 0.2994 -0.1152 -0.0336 0.0870  133 VAL D CB  
3660 C CG1 . VAL D 119 ? 0.4126 0.3500 0.2975 -0.1191 -0.0339 0.0778  133 VAL D CG1 
3661 C CG2 . VAL D 119 ? 0.4329 0.3529 0.3509 -0.1231 -0.0560 0.1005  133 VAL D CG2 
3662 N N   . LYS D 120 ? 0.4463 0.3742 0.4068 -0.1014 -0.0071 0.0611  134 LYS D N   
3663 C CA  . LYS D 120 ? 0.4741 0.3902 0.4540 -0.0946 0.0240  0.0379  134 LYS D CA  
3664 C C   . LYS D 120 ? 0.4849 0.3881 0.4531 -0.0989 0.0243  0.0435  134 LYS D C   
3665 O O   . LYS D 120 ? 0.4886 0.3849 0.4682 -0.1011 0.0278  0.0457  134 LYS D O   
3666 C CB  . LYS D 120 ? 0.4799 0.4115 0.5210 -0.0915 0.0425  0.0194  134 LYS D CB  
3667 C CG  . LYS D 120 ? 0.4968 0.4292 0.5708 -0.0841 0.0623  0.0061  134 LYS D CG  
3668 C CD  . LYS D 120 ? 0.5071 0.4460 0.5977 -0.0796 0.0759  -0.0010 134 LYS D CD  
3669 C CE  . LYS D 120 ? 0.5150 0.4611 0.6217 -0.0786 0.0726  -0.0101 134 LYS D CE  
3670 N NZ  . LYS D 120 ? 0.5268 0.4743 0.6423 -0.0722 0.0575  -0.0200 134 LYS D NZ  
3671 C C8  . MT6 E .   ? 0.2403 0.2044 0.1797 -0.0121 0.0470  -0.0070 201 MT6 A C8  
3672 C C7  . MT6 E .   ? 0.2421 0.1905 0.1574 -0.0167 0.0228  -0.0051 201 MT6 A C7  
3673 C C5  . MT6 E .   ? 0.2727 0.1847 0.1337 -0.0087 0.0161  -0.0184 201 MT6 A C5  
3674 C C6  . MT6 E .   ? 0.2520 0.1782 0.1281 -0.0244 0.0209  -0.0091 201 MT6 A C6  
3675 N N1  . MT6 E .   ? 0.2546 0.1329 0.1788 0.0118  -0.0140 -0.0072 201 MT6 A N1  
3676 C C2  . MT6 E .   ? 0.2507 0.1337 0.1382 0.0034  -0.0390 0.0025  201 MT6 A C2  
3677 C C4  . MT6 E .   ? 0.2762 0.1707 0.1525 0.0057  0.0218  -0.0212 201 MT6 A C4  
3678 O O3  . MT6 E .   ? 0.3038 0.2432 0.1649 0.0384  0.0055  -0.0301 201 MT6 A O3  
3679 C C14 . MT6 E .   ? 0.3004 0.2299 0.1757 0.0115  -0.0239 -0.0151 201 MT6 A C14 
3680 O O4  . MT6 E .   ? 0.3219 0.2158 0.2093 0.0120  -0.0486 -0.0094 201 MT6 A O4  
3681 C C15 . MT6 E .   ? 0.3236 0.2208 0.2391 0.0407  -0.0738 0.0079  201 MT6 A C15 
3682 C C9  . MT6 E .   ? 0.2496 0.2161 0.1602 -0.0103 0.0121  -0.0115 201 MT6 A C9  
3683 C C10 . MT6 E .   ? 0.2342 0.2079 0.1704 -0.0140 0.0497  -0.0091 201 MT6 A C10 
3684 C C13 . MT6 E .   ? 0.2387 0.2092 0.1687 -0.0031 0.0340  -0.0102 201 MT6 A C13 
3685 C C11 . MT6 E .   ? 0.2493 0.2020 0.1622 -0.0091 0.0099  -0.0088 201 MT6 A C11 
3686 O O2  . MT6 E .   ? 0.2656 0.1898 0.1395 -0.0069 -0.0019 -0.0148 201 MT6 A O2  
3687 C C12 . MT6 E .   ? 0.2705 0.1740 0.1359 0.0024  0.0029  -0.0247 201 MT6 A C12 
3688 C C1  . MT6 E .   ? 0.2366 0.1638 0.1244 -0.0012 -0.0441 -0.0378 201 MT6 A C1  
3689 C C3  . MT6 E .   ? 0.2711 0.1484 0.1897 -0.0020 0.0041  -0.0273 201 MT6 A C3  
3690 O O1  . MT6 E .   ? 0.2506 0.1557 0.2154 0.0007  -0.0034 -0.0285 201 MT6 A O1  
3691 C C8  . MT6 F .   ? 0.2879 0.3001 0.3009 0.0259  -0.0838 -0.0354 201 MT6 B C8  
3692 C C7  . MT6 F .   ? 0.2760 0.2870 0.2901 0.0331  -0.0622 -0.0376 201 MT6 B C7  
3693 C C5  . MT6 F .   ? 0.2705 0.2481 0.2337 0.0485  -0.0677 -0.0612 201 MT6 B C5  
3694 C C6  . MT6 F .   ? 0.2674 0.2704 0.2545 0.0319  -0.0644 -0.0468 201 MT6 B C6  
3695 N N1  . MT6 F .   ? 0.2241 0.2452 0.1502 0.0366  -0.0157 -0.0240 201 MT6 B N1  
3696 C C2  . MT6 F .   ? 0.2042 0.2460 0.1800 0.0396  0.0042  -0.0444 201 MT6 B C2  
3697 C C4  . MT6 F .   ? 0.2558 0.2454 0.2190 0.0379  -0.0499 -0.0595 201 MT6 B C4  
3698 O O3  . MT6 F .   ? 0.3400 0.3693 0.3883 -0.0003 -0.0571 -0.0741 201 MT6 B O3  
3699 C C14 . MT6 F .   ? 0.3296 0.3449 0.3551 0.0069  -0.0560 -0.0889 201 MT6 B C14 
3700 O O4  . MT6 F .   ? 0.3625 0.3517 0.3956 0.0010  0.0054  -0.1074 201 MT6 B O4  
3701 C C15 . MT6 F .   ? 0.4001 0.3620 0.4132 -0.0122 -0.0061 -0.0934 201 MT6 B C15 
3702 C C9  . MT6 F .   ? 0.3025 0.3177 0.3193 0.0157  -0.0667 -0.0509 201 MT6 B C9  
3703 C C10 . MT6 F .   ? 0.2947 0.3095 0.3176 0.0156  -0.0649 -0.0507 201 MT6 B C10 
3704 C C13 . MT6 F .   ? 0.2887 0.3072 0.3318 0.0214  -0.0545 -0.0515 201 MT6 B C13 
3705 C C11 . MT6 F .   ? 0.2764 0.3005 0.3128 0.0257  -0.0613 -0.0436 201 MT6 B C11 
3706 O O2  . MT6 F .   ? 0.2507 0.2777 0.2275 0.0253  -0.0438 -0.0586 201 MT6 B O2  
3707 C C12 . MT6 F .   ? 0.2482 0.2611 0.2283 0.0282  -0.0557 -0.0651 201 MT6 B C12 
3708 C C1  . MT6 F .   ? 0.2360 0.2459 0.2112 0.0395  -0.0625 -0.0753 201 MT6 B C1  
3709 C C3  . MT6 F .   ? 0.2514 0.2410 0.1640 0.0337  -0.0131 -0.0273 201 MT6 B C3  
3710 O O1  . MT6 F .   ? 0.2535 0.2354 0.1754 0.0322  -0.0105 -0.0119 201 MT6 B O1  
3711 C C8  . MT6 G .   ? 0.3042 0.2644 0.2136 0.0484  -0.0250 -0.0006 201 MT6 C C8  
3712 C C7  . MT6 G .   ? 0.3025 0.2435 0.1946 0.0503  -0.0264 -0.0131 201 MT6 C C7  
3713 C C5  . MT6 G .   ? 0.3337 0.1775 0.1747 0.0563  0.0159  -0.0302 201 MT6 C C5  
3714 C C6  . MT6 G .   ? 0.3193 0.2074 0.1811 0.0545  0.0059  -0.0182 201 MT6 C C6  
3715 N N1  . MT6 G .   ? 0.3142 0.1419 0.1790 0.0196  -0.0094 0.0014  201 MT6 C N1  
3716 C C2  . MT6 G .   ? 0.2983 0.1464 0.1525 0.0142  0.0192  0.0025  201 MT6 C C2  
3717 C C4  . MT6 G .   ? 0.3325 0.1762 0.1785 0.0455  0.0073  -0.0198 201 MT6 C C4  
3718 O O3  . MT6 G .   ? 0.2998 0.3532 0.2377 0.0140  -0.0249 -0.0386 201 MT6 C O3  
3719 C C14 . MT6 G .   ? 0.3005 0.3270 0.2536 0.0304  0.0012  -0.0235 201 MT6 C C14 
3720 O O4  . MT6 G .   ? 0.3210 0.3405 0.3028 0.0261  0.0043  -0.0180 201 MT6 C O4  
3721 C C15 . MT6 G .   ? 0.3188 0.3570 0.3038 0.0133  0.0179  -0.0219 201 MT6 C C15 
3722 C C9  . MT6 G .   ? 0.2966 0.2845 0.2327 0.0459  -0.0101 -0.0006 201 MT6 C C9  
3723 C C10 . MT6 G .   ? 0.2951 0.2745 0.2266 0.0351  -0.0227 -0.0109 201 MT6 C C10 
3724 C C13 . MT6 G .   ? 0.2898 0.2665 0.2287 0.0334  -0.0319 -0.0249 201 MT6 C C13 
3725 C C11 . MT6 G .   ? 0.2982 0.2559 0.2111 0.0390  -0.0342 -0.0217 201 MT6 C C11 
3726 O O2  . MT6 G .   ? 0.3066 0.1967 0.1992 0.0564  0.0253  -0.0299 201 MT6 C O2  
3727 C C12 . MT6 G .   ? 0.3231 0.1799 0.1705 0.0438  0.0071  -0.0376 201 MT6 C C12 
3728 C C1  . MT6 G .   ? 0.3036 0.1592 0.1344 0.0438  -0.0154 -0.0449 201 MT6 C C1  
3729 C C3  . MT6 G .   ? 0.3341 0.1500 0.1857 0.0202  0.0040  -0.0175 201 MT6 C C3  
3730 O O1  . MT6 G .   ? 0.3415 0.1583 0.1965 0.0089  0.0096  -0.0174 201 MT6 C O1  
3731 C C8  . MT6 H .   ? 0.3597 0.4530 0.5028 0.0081  0.0029  -0.0443 201 MT6 D C8  
3732 C C7  . MT6 H .   ? 0.3486 0.4280 0.4507 0.0133  -0.0083 -0.0512 201 MT6 D C7  
3733 C C5  . MT6 H .   ? 0.3208 0.3740 0.3146 0.0165  0.0218  -0.0864 201 MT6 D C5  
3734 C C6  . MT6 H .   ? 0.3381 0.3879 0.3637 0.0238  -0.0003 -0.0744 201 MT6 D C6  
3735 N N1  . MT6 H .   ? 0.2687 0.3388 0.2043 0.0212  0.0298  -0.0685 201 MT6 D N1  
3736 C C2  . MT6 H .   ? 0.2426 0.3307 0.2095 0.0356  0.0014  -0.0751 201 MT6 D C2  
3737 C C4  . MT6 H .   ? 0.3078 0.3585 0.2743 0.0197  0.0148  -0.0829 201 MT6 D C4  
3738 O O3  . MT6 H .   ? 0.4056 0.5044 0.6757 -0.0338 0.0238  -0.0459 201 MT6 D O3  
3739 C C14 . MT6 H .   ? 0.3986 0.4998 0.6339 -0.0221 0.0116  -0.0300 201 MT6 D C14 
3740 O O4  . MT6 H .   ? 0.4136 0.5221 0.6908 -0.0321 0.0017  -0.0163 201 MT6 D O4  
3741 C C15 . MT6 H .   ? 0.4122 0.5353 0.6947 -0.0371 -0.0064 -0.0111 201 MT6 D C15 
3742 C C9  . MT6 H .   ? 0.3801 0.4731 0.5524 -0.0004 0.0106  -0.0367 201 MT6 D C9  
3743 C C10 . MT6 H .   ? 0.3753 0.4658 0.5340 0.0032  0.0064  -0.0403 201 MT6 D C10 
3744 C C13 . MT6 H .   ? 0.3637 0.4555 0.5120 0.0028  -0.0091 -0.0434 201 MT6 D C13 
3745 C C11 . MT6 H .   ? 0.3537 0.4414 0.4831 0.0079  -0.0113 -0.0482 201 MT6 D C11 
3746 O O2  . MT6 H .   ? 0.3570 0.3655 0.3136 0.0331  -0.0014 -0.0924 201 MT6 D O2  
3747 C C12 . MT6 H .   ? 0.3020 0.3549 0.2685 0.0486  0.0076  -0.1050 201 MT6 D C12 
3748 C C1  . MT6 H .   ? 0.2500 0.3287 0.2692 0.0520  -0.0045 -0.1246 201 MT6 D C1  
3749 C C3  . MT6 H .   ? 0.2964 0.3487 0.2108 0.0016  0.0404  -0.0702 201 MT6 D C3  
3750 O O1  . MT6 H .   ? 0.3122 0.3448 0.1875 -0.0277 0.0317  -0.0569 201 MT6 D O1  
3751 O O   . HOH I .   ? 0.4996 0.5790 0.5160 -0.1317 0.1864  0.1439  301 HOH A O   
3752 O O   . HOH I .   ? 0.6700 0.3853 0.4142 -0.0445 0.2104  0.0949  302 HOH A O   
3753 O O   . HOH I .   ? 0.5777 0.4183 0.3976 -0.0042 -0.0814 0.0323  303 HOH A O   
3754 O O   . HOH I .   ? 0.5273 0.5148 0.4397 -0.0044 0.0000  -0.0871 304 HOH A O   
3755 O O   . HOH I .   ? 0.4523 0.2628 0.3195 -0.0018 0.0861  0.0871  305 HOH A O   
3756 O O   . HOH I .   ? 0.6911 0.3926 0.5262 -0.0709 -0.0725 0.2300  306 HOH A O   
3757 O O   . HOH I .   ? 0.5765 0.3391 0.4304 0.0905  -0.0056 -0.0710 307 HOH A O   
3758 O O   . HOH I .   ? 0.2251 0.2154 0.2515 -0.0007 0.0342  0.0088  308 HOH A O   
3759 O O   . HOH I .   ? 0.3456 0.2253 0.2313 0.0056  -0.0203 0.0479  309 HOH A O   
3760 O O   . HOH I .   ? 0.4042 0.3246 0.3888 0.1011  -0.0198 0.0074  310 HOH A O   
3761 O O   . HOH I .   ? 0.3991 0.4194 0.3620 -0.0051 -0.1272 -0.0122 311 HOH A O   
3762 O O   . HOH I .   ? 0.2177 0.1629 0.1272 -0.0329 0.0050  -0.0291 312 HOH A O   
3763 O O   . HOH I .   ? 0.3201 0.2047 0.2201 0.0121  0.0122  0.0008  313 HOH A O   
3764 O O   . HOH I .   ? 0.2796 0.2117 0.2021 0.0076  0.0553  -0.0461 314 HOH A O   
3765 O O   . HOH I .   ? 0.3401 0.2695 0.2655 -0.0816 0.0831  0.0128  315 HOH A O   
3766 O O   . HOH I .   ? 0.4225 0.4652 0.3081 0.0086  -0.0019 -0.0264 316 HOH A O   
3767 O O   . HOH I .   ? 0.5935 0.2177 0.4281 -0.0167 -0.1583 0.0960  317 HOH A O   
3768 O O   . HOH I .   ? 0.4874 0.4874 0.5664 0.0823  -0.1482 -0.1654 318 HOH A O   
3769 O O   . HOH I .   ? 0.6199 0.2374 0.2894 -0.1071 -0.0637 0.0705  319 HOH A O   
3770 O O   . HOH I .   ? 0.3639 0.5216 0.3668 -0.0693 0.0665  0.1190  320 HOH A O   
3771 O O   . HOH I .   ? 0.4133 0.5085 0.3617 0.0696  -0.0902 -0.0447 321 HOH A O   
3772 O O   . HOH I .   ? 0.7238 0.3457 0.3919 0.2347  0.1475  0.0272  322 HOH A O   
3773 O O   . HOH I .   ? 0.4860 0.4167 0.4079 0.2329  0.2096  0.1655  323 HOH A O   
3774 O O   . HOH I .   ? 0.4145 0.3484 0.6435 0.1282  0.2530  0.2193  324 HOH A O   
3775 O O   . HOH I .   ? 0.4143 0.1941 0.2473 -0.0079 -0.0381 -0.0198 325 HOH A O   
3776 O O   . HOH I .   ? 0.2828 0.2302 0.5275 -0.0733 0.1880  -0.1428 326 HOH A O   
3777 O O   . HOH I .   ? 0.6133 0.2560 0.2451 -0.0431 -0.0353 -0.0181 327 HOH A O   
3778 O O   . HOH I .   ? 0.3164 0.2540 0.2218 0.0168  -0.0158 -0.0267 328 HOH A O   
3779 O O   . HOH I .   ? 0.3872 0.2953 0.3992 -0.0611 0.0827  -0.0754 329 HOH A O   
3780 O O   . HOH I .   ? 0.5608 0.1937 0.2654 0.1207  -0.0679 0.0023  330 HOH A O   
3781 O O   . HOH I .   ? 0.4005 0.2783 0.3838 0.0571  0.0411  0.0104  331 HOH A O   
3782 O O   . HOH I .   ? 0.3616 0.2905 0.3596 -0.0440 0.0469  -0.0276 332 HOH A O   
3783 O O   . HOH I .   ? 0.2921 0.2216 0.1637 0.0414  -0.0138 -0.0174 333 HOH A O   
3784 O O   . HOH I .   ? 0.4441 0.5536 0.4822 0.0461  0.0667  -0.1900 334 HOH A O   
3785 O O   . HOH I .   ? 0.5483 0.4874 0.6155 -0.0076 -0.0571 0.0803  335 HOH A O   
3786 O O   . HOH I .   ? 0.5139 0.5247 0.3118 -0.0253 0.0054  0.1891  336 HOH A O   
3787 O O   . HOH I .   ? 0.4453 0.6612 0.2259 -0.1898 0.0607  0.0298  337 HOH A O   
3788 O O   . HOH I .   ? 0.2939 0.3698 0.3231 -0.1517 0.0465  -0.0597 338 HOH A O   
3789 O O   . HOH I .   ? 0.4074 0.3110 0.5901 -0.0649 0.1293  -0.1467 339 HOH A O   
3790 O O   . HOH I .   ? 0.5190 0.6269 0.3661 0.2513  0.1682  0.2147  340 HOH A O   
3791 O O   . HOH I .   ? 0.5083 0.1738 0.3259 0.0651  -0.1891 -0.0423 341 HOH A O   
3792 O O   . HOH I .   ? 0.6109 0.4319 0.5022 0.1870  0.0327  -0.1756 342 HOH A O   
3793 O O   . HOH I .   ? 0.5684 0.4350 0.4351 -0.0282 -0.0173 -0.0519 343 HOH A O   
3794 O O   . HOH I .   ? 0.5651 0.2532 0.4191 0.0510  0.0264  0.0507  344 HOH A O   
3795 O O   . HOH I .   ? 0.4636 0.2231 0.3427 -0.0504 0.1005  -0.1150 345 HOH A O   
3796 O O   . HOH I .   ? 0.3203 0.2174 0.1546 0.1130  -0.0270 -0.0088 346 HOH A O   
3797 O O   . HOH I .   ? 0.2530 0.1577 0.1451 0.0016  0.0104  0.0165  347 HOH A O   
3798 O O   . HOH I .   ? 0.3394 0.4117 0.3831 0.0033  -0.0762 0.1313  348 HOH A O   
3799 O O   . HOH I .   ? 0.3188 0.4388 0.5296 0.0735  0.0016  -0.0884 349 HOH A O   
3800 O O   . HOH I .   ? 0.5255 0.4652 0.5727 0.0662  0.1744  0.0045  350 HOH A O   
3801 O O   . HOH I .   ? 0.5404 0.4031 0.6570 -0.1235 -0.0611 0.2662  351 HOH A O   
3802 O O   . HOH I .   ? 0.5632 0.6752 0.3649 0.1303  -0.0155 -0.1900 352 HOH A O   
3803 O O   . HOH I .   ? 0.3456 0.1963 0.2759 0.0310  0.0316  -0.0470 353 HOH A O   
3804 O O   . HOH I .   ? 0.6049 0.4656 0.3740 0.1024  0.2180  0.1573  354 HOH A O   
3805 O O   . HOH I .   ? 0.5164 0.3921 0.4356 0.0714  0.0299  0.0028  355 HOH A O   
3806 O O   . HOH I .   ? 0.7220 0.2792 0.2464 -0.0806 0.0168  -0.0232 356 HOH A O   
3807 O O   . HOH I .   ? 0.6381 0.6196 0.3737 -0.1749 0.1598  -0.0871 357 HOH A O   
3808 O O   . HOH I .   ? 0.3919 0.1980 0.2418 -0.0040 -0.0274 0.0701  358 HOH A O   
3809 O O   . HOH I .   ? 0.5841 0.5998 0.4450 0.2093  -0.0312 0.0112  359 HOH A O   
3810 O O   . HOH I .   ? 0.5409 0.1635 0.2614 0.0474  0.0275  0.0044  360 HOH A O   
3811 O O   . HOH I .   ? 0.3244 0.2009 0.2332 -0.0665 0.0824  -0.0267 361 HOH A O   
3812 O O   . HOH I .   ? 0.2051 0.1907 0.1517 -0.0014 -0.0207 -0.0066 362 HOH A O   
3813 O O   . HOH I .   ? 0.6811 0.3877 0.6294 0.2629  0.0492  0.1129  363 HOH A O   
3814 O O   . HOH I .   ? 0.4621 0.2654 0.1411 0.0972  0.0032  0.0410  364 HOH A O   
3815 O O   . HOH I .   ? 0.4983 0.5760 0.5711 0.1869  -0.1092 0.0257  365 HOH A O   
3816 O O   . HOH I .   ? 0.3078 0.3235 0.5418 0.1093  -0.1658 -0.1674 366 HOH A O   
3817 O O   . HOH I .   ? 0.5986 0.3076 0.5037 0.1136  -0.0165 -0.1086 367 HOH A O   
3818 O O   . HOH I .   ? 0.3799 0.6734 0.3024 0.1348  0.0094  -0.1840 368 HOH A O   
3819 O O   . HOH I .   ? 0.3963 0.2662 0.2056 0.1606  -0.0288 0.0225  369 HOH A O   
3820 O O   . HOH I .   ? 0.5357 0.4172 0.5299 -0.0083 -0.0425 -0.1900 370 HOH A O   
3821 O O   . HOH I .   ? 0.3731 0.2208 0.2250 0.0515  0.0088  0.0277  371 HOH A O   
3822 O O   . HOH I .   ? 0.3029 0.2624 0.2404 -0.0175 0.0426  -0.0017 372 HOH A O   
3823 O O   . HOH I .   ? 0.4599 0.3348 0.4155 0.0846  0.0451  0.0108  373 HOH A O   
3824 O O   . HOH I .   ? 0.3575 0.2612 0.3212 0.0805  0.0688  0.0455  374 HOH A O   
3825 O O   . HOH I .   ? 0.3405 0.3178 0.7351 0.0362  0.0188  -0.0314 375 HOH A O   
3826 O O   . HOH I .   ? 0.3538 0.2339 0.2516 -0.0530 -0.0685 0.0288  376 HOH A O   
3827 O O   . HOH I .   ? 0.5082 0.3217 0.3447 -0.0503 -0.0843 -0.0161 377 HOH A O   
3828 O O   . HOH I .   ? 0.5446 0.4406 0.2981 0.1845  -0.0086 -0.0556 378 HOH A O   
3829 O O   . HOH I .   ? 0.3582 0.4283 0.6783 0.0848  0.0882  -0.1605 379 HOH A O   
3830 O O   . HOH I .   ? 0.6049 0.5173 0.6044 -0.1273 0.0660  -0.0043 380 HOH A O   
3831 O O   . HOH I .   ? 0.2502 0.1954 0.1889 0.0091  0.0064  0.0146  381 HOH A O   
3832 O O   . HOH I .   ? 0.5944 0.2223 0.3198 -0.0298 -0.0358 -0.0525 382 HOH A O   
3833 O O   . HOH I .   ? 0.4797 0.4145 0.3493 0.0088  0.0521  -0.0515 383 HOH A O   
3834 O O   . HOH I .   ? 0.6130 0.4123 0.5482 0.2682  -0.0208 0.0767  384 HOH A O   
3835 O O   . HOH I .   ? 0.4313 0.2861 0.2851 -0.1081 -0.0788 0.0228  385 HOH A O   
3836 O O   . HOH I .   ? 0.4159 0.3660 0.2379 -0.0959 -0.0221 0.0637  386 HOH A O   
3837 O O   . HOH I .   ? 0.5754 0.4334 0.5951 0.1042  0.0664  0.1332  387 HOH A O   
3838 O O   . HOH I .   ? 0.6894 0.3265 0.3174 -0.0212 0.1353  0.0709  388 HOH A O   
3839 O O   . HOH I .   ? 0.3560 0.2089 0.2885 0.0511  0.1043  0.0655  389 HOH A O   
3840 O O   . HOH I .   ? 0.2386 0.8029 0.2561 -0.1179 -0.0182 -0.0065 390 HOH A O   
3841 O O   . HOH I .   ? 0.6982 0.2705 0.3617 -0.0171 0.0834  -0.0475 391 HOH A O   
3842 O O   . HOH I .   ? 0.5631 0.4371 0.6147 -0.1573 0.0531  0.0712  392 HOH A O   
3843 O O   . HOH I .   ? 0.5160 0.3254 0.2937 0.0744  0.0479  -0.0420 393 HOH A O   
3844 O O   . HOH I .   ? 0.5228 0.5962 0.5435 -0.1587 0.1183  0.0950  394 HOH A O   
3845 O O   . HOH I .   ? 0.4697 0.2221 0.1970 0.0485  0.0656  0.0050  395 HOH A O   
3846 O O   . HOH I .   ? 0.4014 0.2391 0.2149 0.0738  -0.0153 0.0731  396 HOH A O   
3847 O O   . HOH I .   ? 0.4859 0.1621 0.3385 -0.0175 0.0540  0.0726  397 HOH A O   
3848 O O   . HOH I .   ? 0.4641 0.2577 0.3039 -0.0269 0.0760  -0.0067 398 HOH A O   
3849 O O   . HOH I .   ? 0.4373 0.3204 0.2481 0.0106  0.0994  -0.0753 399 HOH A O   
3850 O O   . HOH I .   ? 0.4883 0.5725 0.5891 0.1191  0.1106  -0.1900 400 HOH A O   
3851 O O   . HOH I .   ? 0.4244 0.6577 0.5508 0.1153  -0.1005 0.0403  401 HOH A O   
3852 O O   . HOH I .   ? 0.8160 0.4164 0.2852 -0.1876 0.0739  0.0594  402 HOH A O   
3853 O O   . HOH I .   ? 0.6881 0.2768 0.3290 0.0307  0.0447  -0.0361 403 HOH A O   
3854 O O   . HOH I .   ? 0.4573 0.7164 0.5307 0.0978  0.0856  0.0580  404 HOH A O   
3855 O O   . HOH I .   ? 0.6233 0.6165 0.4663 0.0013  0.0024  -0.1266 405 HOH A O   
3856 O O   . HOH I .   ? 0.6524 0.4360 0.5437 -0.0898 -0.0489 0.0969  406 HOH A O   
3857 O O   . HOH I .   ? 0.4071 0.3150 0.6602 -0.1265 0.1151  0.0747  407 HOH A O   
3858 O O   . HOH I .   ? 0.7313 0.4474 0.3207 -0.1103 0.0437  0.1079  408 HOH A O   
3859 O O   . HOH I .   ? 0.7035 0.6367 0.3639 -0.0788 0.0948  0.0545  409 HOH A O   
3860 O O   . HOH I .   ? 0.6089 0.4105 0.7325 0.0587  -0.1003 0.2601  410 HOH A O   
3861 O O   . HOH I .   ? 0.5156 0.6651 0.6270 0.0105  -0.1134 0.2288  411 HOH A O   
3862 O O   . HOH I .   ? 0.2870 0.2070 0.2650 0.0112  0.0268  0.0326  412 HOH A O   
3863 O O   . HOH I .   ? 0.6542 0.7656 0.5323 -0.0192 -0.0447 0.1101  413 HOH A O   
3864 O O   . HOH I .   ? 0.2860 0.3090 0.5365 -0.0324 0.0392  -0.0963 414 HOH A O   
3865 O O   . HOH I .   ? 0.6860 0.3950 0.2882 0.0469  -0.0021 0.0032  415 HOH A O   
3866 O O   . HOH I .   ? 0.5023 0.5054 0.3414 0.0609  0.1011  -0.1568 416 HOH A O   
3867 O O   . HOH I .   ? 0.4603 0.3535 0.3354 -0.1197 0.0226  -0.0606 417 HOH A O   
3868 O O   . HOH I .   ? 0.5939 0.4683 0.5502 -0.1424 0.0314  -0.0799 418 HOH A O   
3869 O O   . HOH I .   ? 0.6296 0.6096 0.4290 0.0574  0.0954  -0.0139 419 HOH A O   
3870 O O   . HOH I .   ? 0.5881 0.3840 0.5766 0.1831  0.0521  -0.0212 420 HOH A O   
3871 O O   . HOH I .   ? 0.5519 0.3628 0.3477 -0.0161 -0.0372 0.1063  421 HOH A O   
3872 O O   . HOH I .   ? 0.3905 0.3499 0.6876 -0.1296 0.1869  -0.1044 422 HOH A O   
3873 O O   . HOH I .   ? 0.4992 0.4540 0.6596 0.1631  0.0214  0.1325  423 HOH A O   
3874 O O   . HOH I .   ? 0.4136 0.6433 0.3524 0.1093  0.0001  0.0395  424 HOH A O   
3875 O O   . HOH I .   ? 0.5947 0.6420 0.6251 0.0270  0.0070  0.3369  425 HOH A O   
3876 O O   . HOH I .   ? 0.6565 0.7419 0.3661 0.0453  0.1789  -0.1400 426 HOH A O   
3877 O O   . HOH I .   ? 0.5434 0.7152 0.4046 0.2000  -0.1305 -0.1118 427 HOH A O   
3878 O O   . HOH I .   ? 0.5379 0.7481 0.4016 0.1477  0.1214  -0.0001 428 HOH A O   
3879 O O   . HOH I .   ? 0.3760 0.2897 0.2836 -0.0103 0.0474  -0.0978 429 HOH A O   
3880 O O   . HOH I .   ? 0.5900 0.6279 0.4394 0.0826  -0.0994 -0.0372 430 HOH A O   
3881 O O   . HOH I .   ? 0.5314 0.3740 0.2934 0.0220  0.0009  0.0227  431 HOH A O   
3882 O O   . HOH I .   ? 0.5046 0.3374 0.2720 0.0228  -0.0107 0.0071  432 HOH A O   
3883 O O   . HOH I .   ? 0.5934 0.4594 0.6454 -0.0503 0.0247  0.1694  433 HOH A O   
3884 O O   . HOH I .   ? 0.5337 0.4789 0.4170 0.1131  -0.0557 -0.1276 434 HOH A O   
3885 O O   . HOH I .   ? 0.5616 0.5777 0.3133 0.0065  0.0046  0.0721  435 HOH A O   
3886 O O   . HOH I .   ? 0.4152 0.3659 0.7301 0.0088  0.1331  -0.1766 436 HOH A O   
3887 O O   . HOH I .   ? 0.6135 0.6101 0.6385 0.1275  0.1716  0.2694  437 HOH A O   
3888 O O   . HOH I .   ? 0.5017 0.7064 0.4882 0.0478  0.0448  0.0433  438 HOH A O   
3889 O O   . HOH I .   ? 0.6908 0.5285 0.5188 0.1336  -0.0348 0.1572  439 HOH A O   
3890 O O   . HOH I .   ? 0.5407 0.3855 0.6661 -0.1435 0.0919  -0.0350 440 HOH A O   
3891 O O   . HOH I .   ? 0.4377 0.3515 0.4107 0.0629  -0.0329 0.1196  441 HOH A O   
3892 O O   . HOH I .   ? 0.4734 0.4345 0.3158 -0.1704 0.0516  -0.0001 442 HOH A O   
3893 O O   . HOH I .   ? 0.5848 0.5129 0.3920 0.0187  -0.0074 0.0462  443 HOH A O   
3894 O O   . HOH I .   ? 0.5493 0.6506 0.5365 0.1322  -0.0251 -0.0565 444 HOH A O   
3895 O O   . HOH I .   ? 0.4244 0.6460 0.5647 -0.0324 -0.0633 -0.0538 445 HOH A O   
3896 O O   . HOH I .   ? 0.5723 0.2734 0.5895 -0.1119 -0.0805 -0.0907 446 HOH A O   
3897 O O   . HOH I .   ? 0.7109 0.4915 0.3600 -0.0543 0.0727  -0.1680 447 HOH A O   
3898 O O   . HOH I .   ? 0.7289 0.5436 0.5018 -0.1594 -0.0122 0.1114  448 HOH A O   
3899 O O   . HOH I .   ? 0.4921 0.3479 0.5853 0.0058  -0.1172 -0.1900 449 HOH A O   
3900 O O   . HOH I .   ? 0.6106 0.4818 0.5355 -0.0064 0.2352  0.2132  450 HOH A O   
3901 O O   . HOH I .   ? 0.4448 0.3750 0.6655 -0.0100 -0.1516 -0.1454 451 HOH A O   
3902 O O   . HOH I .   ? 0.7831 0.3389 0.5041 -0.0455 -0.0854 -0.1529 452 HOH A O   
3903 O O   . HOH I .   ? 0.4737 0.7225 0.3654 0.1547  0.0090  0.0727  453 HOH A O   
3904 O O   . HOH I .   ? 0.5402 0.4966 0.4494 0.1882  0.0895  0.2441  454 HOH A O   
3905 O O   . HOH I .   ? 0.7536 0.3688 0.4207 -0.0554 -0.0725 -0.1130 455 HOH A O   
3906 O O   . HOH I .   ? 0.6175 0.3665 0.5334 -0.1572 0.0844  -0.0832 456 HOH A O   
3907 O O   . HOH I .   ? 0.5200 0.6542 0.8794 0.1251  0.2997  0.0525  457 HOH A O   
3908 O O   . HOH I .   ? 0.7037 0.5539 0.4759 -0.1478 0.0142  -0.0037 458 HOH A O   
3909 O O   . HOH I .   ? 0.5891 0.4126 0.4297 -0.1277 0.1245  -0.1900 459 HOH A O   
3910 O O   . HOH I .   ? 0.6795 0.5253 0.2883 0.0726  0.0160  -0.1871 460 HOH A O   
3911 O O   . HOH I .   ? 0.5954 0.5104 0.5997 0.1164  0.0217  -0.0120 461 HOH A O   
3912 O O   . HOH I .   ? 0.4871 0.2690 0.3834 0.0965  0.0166  0.0130  462 HOH A O   
3913 O O   . HOH I .   ? 0.3180 0.4155 0.3214 0.0462  0.0555  0.0481  463 HOH A O   
3914 O O   . HOH I .   ? 0.4747 0.4038 0.3917 -0.0734 0.0836  0.1241  464 HOH A O   
3915 O O   . HOH I .   ? 0.5741 0.7264 0.3885 0.0113  -0.1724 -0.0821 465 HOH A O   
3916 O O   . HOH I .   ? 0.4950 0.5200 0.6708 -0.0645 0.1276  -0.1579 466 HOH A O   
3917 O O   . HOH I .   ? 0.5256 0.2816 0.4834 0.1368  -0.0764 0.0093  467 HOH A O   
3918 O O   . HOH I .   ? 0.5215 0.5456 0.7616 0.0779  0.2209  -0.1304 468 HOH A O   
3919 O O   . HOH I .   ? 0.6360 0.4186 0.4432 -0.0857 0.0675  0.0405  469 HOH A O   
3920 O O   . HOH I .   ? 0.5897 0.4481 0.3897 -0.0393 -0.0176 -0.0153 470 HOH A O   
3921 O O   . HOH I .   ? 0.5399 0.5413 0.6803 0.1192  0.1111  -0.1592 471 HOH A O   
3922 O O   . HOH I .   ? 0.5382 0.3725 0.4948 -0.0861 -0.0307 -0.1695 472 HOH A O   
3923 O O   . HOH I .   ? 0.7150 0.5136 0.2916 0.1167  0.1308  0.0456  473 HOH A O   
3924 O O   . HOH I .   ? 0.5269 0.3694 0.5942 -0.0173 -0.0001 -0.1900 474 HOH A O   
3925 O O   . HOH I .   ? 0.8157 0.5704 0.4238 0.0425  0.0765  0.2647  475 HOH A O   
3926 O O   . HOH I .   ? 0.5323 0.2884 0.3315 0.0671  -0.0682 -0.0855 476 HOH A O   
3927 O O   . HOH I .   ? 0.8023 0.7643 0.7333 0.0952  0.1304  -0.0926 477 HOH A O   
3928 O O   . HOH I .   ? 0.6519 0.3251 0.5977 0.0252  -0.1504 -0.1900 478 HOH A O   
3929 O O   . HOH I .   ? 0.7454 0.5687 0.4556 0.1335  -0.0056 -0.1312 479 HOH A O   
3930 O O   . HOH I .   ? 0.5585 0.4775 0.3229 -0.1240 0.0161  0.0537  480 HOH A O   
3931 O O   . HOH I .   ? 0.6711 0.6157 0.7730 -0.1136 0.1519  -0.0171 481 HOH A O   
3932 O O   . HOH I .   ? 0.4299 0.7585 0.4642 0.0381  -0.0451 -0.0581 482 HOH A O   
3933 O O   . HOH I .   ? 0.7771 0.5009 0.3097 -0.0251 -0.0878 -0.0646 483 HOH A O   
3934 O O   . HOH I .   ? 0.5361 0.6716 0.5204 -0.0332 0.0360  -0.1261 484 HOH A O   
3935 O O   . HOH I .   ? 0.7145 0.7782 0.6109 0.1460  -0.0484 0.2690  485 HOH A O   
3936 O O   . HOH I .   ? 0.5263 0.4895 0.3507 -0.0215 0.0429  0.0974  486 HOH A O   
3937 O O   . HOH J .   ? 0.4788 0.3484 0.5940 -0.0168 0.0789  -0.0100 301 HOH B O   
3938 O O   . HOH J .   ? 0.4451 0.7249 0.3553 0.2912  0.0080  -0.0538 302 HOH B O   
3939 O O   . HOH J .   ? 0.2472 0.1737 0.1161 0.0620  0.0381  0.0185  303 HOH B O   
3940 O O   . HOH J .   ? 0.3926 0.7119 0.6825 0.0984  0.1164  0.4088  304 HOH B O   
3941 O O   . HOH J .   ? 0.3497 0.5616 0.3820 0.0093  -0.0139 0.2462  305 HOH B O   
3942 O O   . HOH J .   ? 0.7692 0.6995 0.5407 0.0053  -0.0217 0.0687  306 HOH B O   
3943 O O   . HOH J .   ? 0.2805 0.2568 0.3415 0.0330  -0.0018 -0.0349 307 HOH B O   
3944 O O   . HOH J .   ? 0.5521 0.7407 0.5360 0.0580  0.3173  -0.0462 308 HOH B O   
3945 O O   . HOH J .   ? 0.5538 0.4909 0.5939 0.0913  -0.0219 0.0906  309 HOH B O   
3946 O O   . HOH J .   ? 0.4854 0.3741 0.5320 -0.0401 -0.1697 0.0891  310 HOH B O   
3947 O O   . HOH J .   ? 0.4993 0.5405 0.4836 0.0123  -0.0308 -0.1563 311 HOH B O   
3948 O O   . HOH J .   ? 0.2135 0.1613 0.1176 0.0163  -0.0085 -0.0139 312 HOH B O   
3949 O O   . HOH J .   ? 0.3130 0.5091 0.1537 -0.1454 -0.0052 0.0397  313 HOH B O   
3950 O O   . HOH J .   ? 0.4533 0.4104 0.2515 -0.1252 0.0593  0.0118  314 HOH B O   
3951 O O   . HOH J .   ? 0.5518 0.3106 0.6747 -0.0214 0.2736  -0.1465 315 HOH B O   
3952 O O   . HOH J .   ? 0.5185 0.4876 0.3401 -0.1815 0.1859  -0.1728 316 HOH B O   
3953 O O   . HOH J .   ? 0.3923 0.3687 0.2111 -0.1167 -0.1019 0.1160  317 HOH B O   
3954 O O   . HOH J .   ? 0.3572 0.3772 0.4275 -0.0456 0.0208  -0.1900 318 HOH B O   
3955 O O   . HOH J .   ? 0.3948 0.3709 0.6209 -0.0762 -0.0819 0.0204  319 HOH B O   
3956 O O   . HOH J .   ? 0.5116 0.3840 0.2959 0.0422  -0.0255 -0.1162 320 HOH B O   
3957 O O   . HOH J .   ? 0.3248 0.2574 0.2425 -0.0420 0.1094  -0.0236 321 HOH B O   
3958 O O   . HOH J .   ? 0.4778 0.4736 0.5331 0.0376  0.0676  0.1522  322 HOH B O   
3959 O O   . HOH J .   ? 0.4139 0.3980 0.1648 0.1207  -0.0063 -0.0393 323 HOH B O   
3960 O O   . HOH J .   ? 0.4022 0.6703 0.2333 0.1549  0.0018  0.0509  324 HOH B O   
3961 O O   . HOH J .   ? 0.2870 0.2473 0.1564 0.0110  -0.0034 -0.0269 325 HOH B O   
3962 O O   . HOH J .   ? 0.2519 0.1912 0.1224 -0.0133 -0.0139 -0.0603 326 HOH B O   
3963 O O   . HOH J .   ? 0.5151 0.3758 0.4810 0.1018  0.1721  -0.1085 327 HOH B O   
3964 O O   . HOH J .   ? 0.5426 0.3945 0.2301 0.2646  -0.0990 -0.0740 328 HOH B O   
3965 O O   . HOH J .   ? 0.2943 0.2246 0.2020 0.0285  -0.0050 -0.0491 329 HOH B O   
3966 O O   . HOH J .   ? 0.3641 0.5709 0.3757 -0.1153 0.0002  0.0121  330 HOH B O   
3967 O O   . HOH J .   ? 0.3405 0.6758 0.3638 0.0304  -0.0349 -0.1900 331 HOH B O   
3968 O O   . HOH J .   ? 0.3506 0.2051 0.2440 0.0127  0.0345  0.0191  332 HOH B O   
3969 O O   . HOH J .   ? 0.3058 0.1921 0.1857 0.0759  -0.0190 -0.0295 333 HOH B O   
3970 O O   . HOH J .   ? 0.2553 0.2487 0.1532 -0.0120 -0.0094 -0.0625 334 HOH B O   
3971 O O   . HOH J .   ? 0.4023 0.4683 0.1897 -0.0945 0.0577  -0.0114 335 HOH B O   
3972 O O   . HOH J .   ? 0.3814 0.3401 0.3609 0.0470  0.1133  0.0477  336 HOH B O   
3973 O O   . HOH J .   ? 0.3082 0.3599 0.2016 0.0411  -0.0007 -0.0795 337 HOH B O   
3974 O O   . HOH J .   ? 0.4035 0.6113 0.5643 0.1153  0.2331  0.2224  338 HOH B O   
3975 O O   . HOH J .   ? 0.2425 0.1881 0.1756 0.0617  -0.0147 -0.0159 339 HOH B O   
3976 O O   . HOH J .   ? 0.4184 0.7012 0.3936 0.0897  0.1598  -0.0914 340 HOH B O   
3977 O O   . HOH J .   ? 0.2081 0.4632 0.3277 0.0098  0.0531  -0.1330 341 HOH B O   
3978 O O   . HOH J .   ? 0.5102 0.4163 0.4465 0.0627  -0.1862 0.1115  342 HOH B O   
3979 O O   . HOH J .   ? 0.4885 0.4209 0.2979 0.0229  0.0777  0.0708  343 HOH B O   
3980 O O   . HOH J .   ? 0.2164 0.3366 0.2040 -0.0462 0.0411  -0.0711 344 HOH B O   
3981 O O   . HOH J .   ? 0.4306 0.2571 0.6094 -0.1046 0.2515  -0.1071 345 HOH B O   
3982 O O   . HOH J .   ? 0.3891 0.5107 0.3247 -0.0269 0.0970  0.0390  346 HOH B O   
3983 O O   . HOH J .   ? 0.4705 0.4051 0.5849 -0.0471 -0.0376 0.2794  347 HOH B O   
3984 O O   . HOH J .   ? 0.6654 0.6214 0.5126 -0.1285 -0.1597 0.0905  348 HOH B O   
3985 O O   . HOH J .   ? 0.4312 0.4219 0.3182 -0.0645 -0.0210 0.0286  349 HOH B O   
3986 O O   . HOH J .   ? 0.6185 0.6630 0.4755 0.1874  0.0696  -0.1900 350 HOH B O   
3987 O O   . HOH J .   ? 0.3629 0.2250 0.4002 -0.0317 -0.0696 -0.0302 351 HOH B O   
3988 O O   . HOH J .   ? 0.2221 0.2645 0.2356 0.0096  0.0029  -0.0618 352 HOH B O   
3989 O O   . HOH J .   ? 0.2450 0.2278 0.2434 0.0361  -0.0638 -0.0455 353 HOH B O   
3990 O O   . HOH J .   ? 0.4855 0.6152 0.6067 0.2745  -0.1331 -0.0121 354 HOH B O   
3991 O O   . HOH J .   ? 0.4432 0.4065 0.4959 -0.0251 -0.1030 0.0659  355 HOH B O   
3992 O O   . HOH J .   ? 0.5342 0.3109 0.4258 0.0554  0.0796  0.0626  356 HOH B O   
3993 O O   . HOH J .   ? 0.4849 0.6696 0.3149 0.0557  -0.1510 -0.0734 357 HOH B O   
3994 O O   . HOH J .   ? 0.3633 0.4063 0.2299 0.0006  0.0024  -0.0064 358 HOH B O   
3995 O O   . HOH J .   ? 0.3735 0.5803 0.2959 -0.0877 0.0321  -0.1278 359 HOH B O   
3996 O O   . HOH J .   ? 0.5371 0.4641 0.2440 0.0626  -0.1557 -0.0159 360 HOH B O   
3997 O O   . HOH J .   ? 0.3013 0.3121 0.2850 0.0213  0.0833  -0.0654 361 HOH B O   
3998 O O   . HOH J .   ? 0.3990 0.5670 0.3268 -0.0022 0.0975  -0.0800 362 HOH B O   
3999 O O   . HOH J .   ? 0.3840 0.2649 0.2518 0.0708  0.1201  -0.0038 363 HOH B O   
4000 O O   . HOH J .   ? 0.4496 0.3409 0.5216 -0.0360 0.1655  -0.1610 364 HOH B O   
4001 O O   . HOH J .   ? 0.4137 0.1941 0.2795 0.0901  0.1209  0.0588  365 HOH B O   
4002 O O   . HOH J .   ? 0.2829 0.4466 0.3152 0.0177  0.0391  -0.0936 366 HOH B O   
4003 O O   . HOH J .   ? 0.3035 0.4880 0.2565 -0.1519 -0.0633 0.1010  367 HOH B O   
4004 O O   . HOH J .   ? 0.3283 0.4538 0.3470 0.0806  -0.0031 -0.1900 368 HOH B O   
4005 O O   . HOH J .   ? 0.2909 0.3771 0.1994 -0.0368 0.0107  -0.0128 369 HOH B O   
4006 O O   . HOH J .   ? 0.3111 0.3498 0.2790 0.0916  0.0587  -0.0589 370 HOH B O   
4007 O O   . HOH J .   ? 0.2695 0.2129 0.1961 0.0282  -0.0132 -0.0402 371 HOH B O   
4008 O O   . HOH J .   ? 0.2763 0.3285 0.4254 0.0457  0.0051  -0.1239 372 HOH B O   
4009 O O   . HOH J .   ? 0.4405 0.6153 0.3799 0.1898  -0.1102 0.0552  373 HOH B O   
4010 O O   . HOH J .   ? 0.5319 0.2848 0.2446 -0.0467 0.0835  -0.0794 374 HOH B O   
4011 O O   . HOH J .   ? 0.2892 0.2596 0.2485 -0.0049 0.0597  -0.0717 375 HOH B O   
4012 O O   . HOH J .   ? 0.4649 0.4718 0.6699 -0.0620 0.0229  0.2694  376 HOH B O   
4013 O O   . HOH J .   ? 0.4393 0.4712 0.2617 0.0849  -0.0836 -0.1482 377 HOH B O   
4014 O O   . HOH J .   ? 0.3048 0.3141 0.3551 0.0118  0.1389  -0.0576 378 HOH B O   
4015 O O   . HOH J .   ? 0.4642 0.4999 0.4502 0.0155  -0.1077 0.0829  379 HOH B O   
4016 O O   . HOH J .   ? 0.2589 0.4692 0.3595 -0.0077 0.0175  -0.0553 380 HOH B O   
4017 O O   . HOH J .   ? 0.4223 0.5436 0.3148 -0.1868 0.1668  -0.0964 381 HOH B O   
4018 O O   . HOH J .   ? 0.5833 0.5497 0.4024 -0.0850 -0.0825 0.0961  382 HOH B O   
4019 O O   . HOH J .   ? 0.5453 0.5564 0.4467 -0.0364 0.0765  -0.0593 383 HOH B O   
4020 O O   . HOH J .   ? 0.4065 0.7027 0.3226 -0.1096 0.0496  0.1937  384 HOH B O   
4021 O O   . HOH J .   ? 0.3677 0.4675 0.4648 -0.1601 0.0173  0.1952  385 HOH B O   
4022 O O   . HOH J .   ? 0.5789 0.6066 0.2924 0.1438  0.0869  -0.0040 386 HOH B O   
4023 O O   . HOH J .   ? 0.4800 0.5956 0.6305 0.1245  0.0306  -0.1136 387 HOH B O   
4024 O O   . HOH J .   ? 0.3579 0.2740 0.2468 -0.0004 -0.0211 -0.0841 388 HOH B O   
4025 O O   . HOH J .   ? 0.5685 0.3566 0.2720 0.1342  -0.0698 0.0030  389 HOH B O   
4026 O O   . HOH J .   ? 0.5910 0.6528 0.5294 -0.1848 -0.0139 0.1716  390 HOH B O   
4027 O O   . HOH J .   ? 0.4099 0.7938 0.3620 0.2650  0.0614  0.1922  391 HOH B O   
4028 O O   . HOH J .   ? 0.4847 0.4387 0.3853 0.0394  0.0366  -0.1718 392 HOH B O   
4029 O O   . HOH J .   ? 0.3334 0.2344 0.3179 0.0557  0.0581  -0.0427 393 HOH B O   
4030 O O   . HOH J .   ? 0.5350 0.4144 0.6338 0.0406  -0.1786 -0.0849 394 HOH B O   
4031 O O   . HOH J .   ? 0.3526 0.4647 0.4617 -0.0160 0.0188  -0.1900 395 HOH B O   
4032 O O   . HOH J .   ? 0.4442 0.6709 0.3165 -0.0459 0.0045  0.0386  396 HOH B O   
4033 O O   . HOH J .   ? 0.3961 0.4301 0.3671 -0.0493 0.0146  0.0537  397 HOH B O   
4034 O O   . HOH J .   ? 0.3691 0.3019 0.2676 0.0604  0.0543  -0.0345 398 HOH B O   
4035 O O   . HOH J .   ? 0.4013 0.4840 0.5020 -0.0457 0.2028  -0.1465 399 HOH B O   
4036 O O   . HOH J .   ? 0.4951 0.6601 0.3082 0.0777  -0.0094 -0.0888 400 HOH B O   
4037 O O   . HOH J .   ? 0.5194 0.6807 0.4882 -0.0178 0.0615  0.1839  401 HOH B O   
4038 O O   . HOH J .   ? 0.4580 0.3274 0.2555 -0.0013 0.0243  -0.0242 402 HOH B O   
4039 O O   . HOH J .   ? 0.5121 0.7260 0.4322 -0.1132 0.0722  0.0186  403 HOH B O   
4040 O O   . HOH J .   ? 0.4401 0.6935 0.2930 0.2218  -0.0907 -0.1095 404 HOH B O   
4041 O O   . HOH J .   ? 0.5237 0.6832 0.3483 0.1181  -0.1084 -0.1399 405 HOH B O   
4042 O O   . HOH J .   ? 0.6221 0.3933 0.3132 -0.0628 -0.0302 -0.0077 406 HOH B O   
4043 O O   . HOH J .   ? 0.6894 0.5245 0.6370 0.0648  -0.0112 0.0075  407 HOH B O   
4044 O O   . HOH J .   ? 0.4085 0.4525 0.4364 0.0882  0.1427  0.1003  408 HOH B O   
4045 O O   . HOH J .   ? 0.5205 0.6364 0.5088 0.1958  0.1193  -0.0090 409 HOH B O   
4046 O O   . HOH J .   ? 0.5089 0.4133 0.3512 -0.0784 0.1377  -0.1150 410 HOH B O   
4047 O O   . HOH J .   ? 0.4621 0.4231 0.5010 -0.1190 0.0430  0.1323  411 HOH B O   
4048 O O   . HOH J .   ? 0.4819 0.6927 0.3974 -0.1005 -0.1900 0.1388  412 HOH B O   
4049 O O   . HOH J .   ? 0.4971 0.9369 0.4531 0.1467  -0.1289 0.1262  413 HOH B O   
4050 O O   . HOH J .   ? 0.5336 0.5336 0.5311 -0.1016 0.2053  -0.1099 414 HOH B O   
4051 O O   . HOH J .   ? 0.5164 0.6121 0.3756 0.0115  -0.0568 -0.0379 415 HOH B O   
4052 O O   . HOH J .   ? 0.5089 0.4453 0.3916 -0.0831 0.0455  -0.1900 416 HOH B O   
4053 O O   . HOH J .   ? 0.4263 0.5964 0.6200 0.0922  -0.1154 -0.0801 417 HOH B O   
4054 O O   . HOH J .   ? 0.7526 0.4577 0.5004 -0.0485 0.0060  -0.0392 418 HOH B O   
4055 O O   . HOH J .   ? 0.6324 0.3267 0.2786 -0.0081 0.0987  -0.0112 419 HOH B O   
4056 O O   . HOH J .   ? 0.5782 0.5552 0.3421 0.2818  -0.0078 -0.1273 420 HOH B O   
4057 O O   . HOH J .   ? 0.3784 0.4108 0.4634 0.0153  0.0057  -0.1045 421 HOH B O   
4058 O O   . HOH J .   ? 0.7071 0.3349 0.5373 -0.0078 0.0716  -0.1618 422 HOH B O   
4059 O O   . HOH J .   ? 0.3897 0.5344 0.5521 -0.0195 0.2690  0.0057  423 HOH B O   
4060 O O   . HOH J .   ? 0.7181 0.6667 0.3975 -0.0404 0.0076  0.0305  424 HOH B O   
4061 O O   . HOH J .   ? 0.7636 0.6740 0.5234 -0.0545 0.2628  -0.1608 425 HOH B O   
4062 O O   . HOH J .   ? 0.4352 0.4056 0.3491 -0.0426 -0.0048 -0.0470 426 HOH B O   
4063 O O   . HOH J .   ? 0.6804 0.3919 0.3913 0.0421  0.1164  -0.0621 427 HOH B O   
4064 O O   . HOH J .   ? 0.7030 0.6244 0.9059 0.0155  -0.0491 -0.0801 428 HOH B O   
4065 O O   . HOH J .   ? 0.6271 0.6815 0.4779 0.0766  0.1257  0.1151  429 HOH B O   
4066 O O   . HOH J .   ? 0.3748 0.3723 0.2403 0.0109  -0.0466 -0.0350 430 HOH B O   
4067 O O   . HOH J .   ? 0.4062 0.5693 0.5127 0.1196  -0.0002 -0.1393 431 HOH B O   
4068 O O   . HOH J .   ? 0.7273 0.6846 0.6193 -0.0010 -0.1564 -0.1229 432 HOH B O   
4069 O O   . HOH J .   ? 0.5441 0.5363 0.4016 -0.0293 0.1238  -0.0588 433 HOH B O   
4070 O O   . HOH J .   ? 0.6921 0.6133 0.5545 -0.0737 -0.0914 -0.1112 434 HOH B O   
4071 O O   . HOH J .   ? 0.4499 0.4552 0.4897 -0.0792 -0.0858 -0.0679 435 HOH B O   
4072 O O   . HOH K .   ? 0.6806 0.5227 0.4171 -0.1302 0.1804  -0.0219 301 HOH C O   
4073 O O   . HOH K .   ? 0.6844 0.5275 0.6362 -0.0513 0.0720  -0.1318 302 HOH C O   
4074 O O   . HOH K .   ? 0.5226 0.7106 0.5326 -0.0525 0.2583  -0.0637 303 HOH C O   
4075 O O   . HOH K .   ? 0.4595 0.3485 0.2492 0.1322  -0.0347 0.0569  304 HOH C O   
4076 O O   . HOH K .   ? 0.6564 0.3673 0.4418 -0.1004 0.0563  -0.0969 305 HOH C O   
4077 O O   . HOH K .   ? 0.3818 0.2352 0.2458 -0.0663 -0.0259 0.0383  306 HOH C O   
4078 O O   . HOH K .   ? 0.5875 0.5869 0.6077 -0.0524 0.0518  0.1286  307 HOH C O   
4079 O O   . HOH K .   ? 0.4595 0.4004 0.4431 0.1734  0.0769  0.0960  308 HOH C O   
4080 O O   . HOH K .   ? 0.4149 0.5765 0.3977 -0.1791 0.1039  -0.0623 309 HOH C O   
4081 O O   . HOH K .   ? 0.5060 0.2473 0.4979 0.0384  0.0450  0.0412  310 HOH C O   
4082 O O   . HOH K .   ? 0.4609 0.4173 0.7573 0.0259  -0.1559 0.0981  311 HOH C O   
4083 O O   . HOH K .   ? 0.4806 0.7187 0.4159 0.0499  -0.0538 -0.1226 312 HOH C O   
4084 O O   . HOH K .   ? 0.5849 0.6159 0.7755 -0.0379 -0.0968 -0.1458 313 HOH C O   
4085 O O   . HOH K .   ? 0.3873 0.3153 0.3798 0.0202  -0.0442 -0.1037 314 HOH C O   
4086 O O   . HOH K .   ? 0.4172 0.3929 0.5133 -0.1243 0.1091  -0.1169 315 HOH C O   
4087 O O   . HOH K .   ? 0.5359 0.2847 0.4248 0.0424  -0.0023 -0.1155 316 HOH C O   
4088 O O   . HOH K .   ? 0.4003 0.2625 0.4719 -0.1035 -0.0223 0.1005  317 HOH C O   
4089 O O   . HOH K .   ? 0.3669 0.3041 0.2037 -0.0441 0.0402  -0.0059 318 HOH C O   
4090 O O   . HOH K .   ? 0.6491 0.6542 0.3604 -0.1636 -0.0582 -0.1206 319 HOH C O   
4091 O O   . HOH K .   ? 0.4537 0.2011 0.3105 -0.0418 0.0580  0.0621  320 HOH C O   
4092 O O   . HOH K .   ? 0.5022 0.5971 0.2824 0.2086  0.0688  0.0022  321 HOH C O   
4093 O O   . HOH K .   ? 0.6900 0.3386 0.4063 0.0842  -0.1900 -0.0829 322 HOH C O   
4094 O O   . HOH K .   ? 0.2724 0.1448 0.1518 0.0035  0.0218  -0.0396 323 HOH C O   
4095 O O   . HOH K .   ? 0.5348 0.4142 0.3388 0.0199  -0.0453 0.1236  324 HOH C O   
4096 O O   . HOH K .   ? 0.4804 0.2437 0.3159 -0.0063 0.1398  -0.0843 325 HOH C O   
4097 O O   . HOH K .   ? 0.4825 0.2785 0.5122 0.0838  0.0118  0.0017  326 HOH C O   
4098 O O   . HOH K .   ? 0.5587 0.6637 0.6068 0.1977  -0.0668 -0.0474 327 HOH C O   
4099 O O   . HOH K .   ? 0.6641 0.2180 0.2365 -0.0929 -0.0166 0.0194  328 HOH C O   
4100 O O   . HOH K .   ? 0.4974 0.4085 0.2734 0.0748  0.0680  -0.0009 329 HOH C O   
4101 O O   . HOH K .   ? 0.2693 0.2982 0.1424 0.0354  -0.0073 0.0090  330 HOH C O   
4102 O O   . HOH K .   ? 0.5231 0.6791 0.4848 0.1318  0.1854  0.2685  331 HOH C O   
4103 O O   . HOH K .   ? 0.3724 0.4274 0.2220 -0.0938 0.0272  -0.0271 332 HOH C O   
4104 O O   . HOH K .   ? 0.5236 0.6636 0.3736 0.1959  -0.1158 -0.0670 333 HOH C O   
4105 O O   . HOH K .   ? 0.5795 0.1999 0.4699 -0.0159 -0.0585 0.0143  334 HOH C O   
4106 O O   . HOH K .   ? 0.5007 0.2344 0.3939 -0.0010 0.0563  0.0240  335 HOH C O   
4107 O O   . HOH K .   ? 0.2867 0.3381 0.2580 -0.0576 0.0942  -0.0537 336 HOH C O   
4108 O O   . HOH K .   ? 0.6061 0.3837 0.6186 0.0853  0.1542  -0.0947 337 HOH C O   
4109 O O   . HOH K .   ? 0.1971 0.2299 0.1781 0.0046  0.0160  -0.0390 338 HOH C O   
4110 O O   . HOH K .   ? 0.5418 0.6129 0.4667 0.1169  0.1120  0.1702  339 HOH C O   
4111 O O   . HOH K .   ? 0.3540 0.2749 0.2106 -0.0608 -0.0264 -0.0057 340 HOH C O   
4112 O O   . HOH K .   ? 0.3767 0.5368 0.2106 0.1508  -0.0065 0.0046  341 HOH C O   
4113 O O   . HOH K .   ? 0.3003 0.1656 0.1303 0.0211  -0.0044 0.0130  342 HOH C O   
4114 O O   . HOH K .   ? 0.4826 0.2530 0.3613 0.0606  -0.0247 0.0548  343 HOH C O   
4115 O O   . HOH K .   ? 0.3069 0.1666 0.2025 0.0022  -0.0191 -0.0296 344 HOH C O   
4116 O O   . HOH K .   ? 0.4707 0.2529 0.2507 -0.0097 0.0104  -0.0102 345 HOH C O   
4117 O O   . HOH K .   ? 0.8707 0.4231 0.3931 -0.1562 0.1604  -0.1496 346 HOH C O   
4118 O O   . HOH K .   ? 0.5227 0.5580 0.4155 -0.0507 -0.0627 0.2770  347 HOH C O   
4119 O O   . HOH K .   ? 0.5572 0.3630 0.2970 0.0203  0.0759  -0.0990 348 HOH C O   
4120 O O   . HOH K .   ? 0.5694 0.3772 0.3272 0.2080  0.0442  0.0155  349 HOH C O   
4121 O O   . HOH K .   ? 0.4554 0.5842 0.7972 0.1910  -0.0233 0.1342  350 HOH C O   
4122 O O   . HOH K .   ? 0.4973 0.4542 0.4190 -0.0441 0.0984  -0.0866 351 HOH C O   
4123 O O   . HOH K .   ? 0.3224 0.5574 0.2766 -0.0868 -0.0105 -0.0597 352 HOH C O   
4124 O O   . HOH K .   ? 0.2847 0.2137 0.2138 0.0527  0.0540  -0.0141 353 HOH C O   
4125 O O   . HOH K .   ? 0.3769 0.2341 0.2196 0.0283  0.0035  0.0002  354 HOH C O   
4126 O O   . HOH K .   ? 0.3020 0.2646 0.2037 -0.0281 0.0807  -0.0631 355 HOH C O   
4127 O O   . HOH K .   ? 0.3746 0.2609 0.2053 -0.0363 0.0950  0.0404  356 HOH C O   
4128 O O   . HOH K .   ? 0.3583 0.3034 0.4716 0.0828  -0.0373 0.0695  357 HOH C O   
4129 O O   . HOH K .   ? 0.2342 0.2101 0.1689 0.0612  -0.0113 -0.0145 358 HOH C O   
4130 O O   . HOH K .   ? 0.4357 0.7262 0.3647 0.0186  0.2090  0.0508  359 HOH C O   
4131 O O   . HOH K .   ? 0.7071 0.4921 0.4108 -0.0975 0.0957  0.2071  360 HOH C O   
4132 O O   . HOH K .   ? 0.6716 0.5206 0.2863 -0.0530 0.1444  -0.0077 361 HOH C O   
4133 O O   . HOH K .   ? 0.2781 0.2526 0.2801 -0.0170 0.0753  -0.0388 362 HOH C O   
4134 O O   . HOH K .   ? 0.5437 0.5115 0.5401 -0.1185 -0.1065 -0.0766 363 HOH C O   
4135 O O   . HOH K .   ? 0.4511 0.2566 0.2092 -0.0429 0.0723  -0.0432 364 HOH C O   
4136 O O   . HOH K .   ? 0.6065 0.5619 0.4877 0.0182  -0.1630 -0.0714 365 HOH C O   
4137 O O   . HOH K .   ? 0.3467 0.5030 0.5066 -0.0652 -0.0414 -0.0145 366 HOH C O   
4138 O O   . HOH K .   ? 0.3140 0.4531 0.4699 -0.0034 -0.0259 -0.1885 367 HOH C O   
4139 O O   . HOH K .   ? 0.4762 0.2884 0.2927 -0.0343 0.0222  -0.0026 368 HOH C O   
4140 O O   . HOH K .   ? 0.4923 0.5346 0.4233 -0.0250 0.1013  0.2553  369 HOH C O   
4141 O O   . HOH K .   ? 0.5020 0.2160 0.3508 -0.0789 0.0020  -0.0058 370 HOH C O   
4142 O O   . HOH K .   ? 0.4109 0.5869 0.5375 0.0847  0.0671  -0.0555 371 HOH C O   
4143 O O   . HOH K .   ? 0.5288 0.3242 0.2999 -0.0425 0.1118  -0.0966 372 HOH C O   
4144 O O   . HOH K .   ? 0.5105 0.3615 0.3540 -0.1900 0.0337  0.0443  373 HOH C O   
4145 O O   . HOH K .   ? 0.2609 0.4519 0.1825 -0.0218 0.0372  0.0060  374 HOH C O   
4146 O O   . HOH K .   ? 0.4634 0.6668 0.2995 0.1891  -0.0709 0.0230  375 HOH C O   
4147 O O   . HOH K .   ? 0.3502 0.4581 0.5926 -0.0015 -0.0051 0.2028  376 HOH C O   
4148 O O   . HOH K .   ? 0.6087 0.4089 0.4519 -0.1506 0.0793  -0.1900 377 HOH C O   
4149 O O   . HOH K .   ? 0.4827 0.2903 0.5088 -0.0730 0.0044  0.0666  378 HOH C O   
4150 O O   . HOH K .   ? 0.4265 0.3588 0.3628 0.0137  0.0845  -0.0916 379 HOH C O   
4151 O O   . HOH K .   ? 0.4101 0.5746 0.3362 -0.0739 -0.0044 -0.1080 380 HOH C O   
4152 O O   . HOH K .   ? 0.4585 0.4736 0.3424 0.1330  0.0048  -0.0090 381 HOH C O   
4153 O O   . HOH K .   ? 0.6791 0.6776 0.6615 0.0145  0.3150  0.2551  382 HOH C O   
4154 O O   . HOH K .   ? 0.5182 0.6433 0.4199 0.3325  0.0495  -0.0136 383 HOH C O   
4155 O O   . HOH K .   ? 0.4657 0.5236 0.4056 -0.0356 0.1402  0.0303  384 HOH C O   
4156 O O   . HOH K .   ? 0.3208 0.4272 0.2949 0.0143  -0.0761 -0.0102 385 HOH C O   
4157 O O   . HOH K .   ? 0.4049 0.4477 0.3087 -0.1581 0.1588  -0.0753 386 HOH C O   
4158 O O   . HOH K .   ? 0.4723 0.2663 0.2937 -0.0613 0.1165  -0.0075 387 HOH C O   
4159 O O   . HOH K .   ? 0.4581 0.5744 0.3647 -0.0785 -0.1900 0.0224  388 HOH C O   
4160 O O   . HOH K .   ? 0.4286 0.4267 0.3466 0.0648  -0.0489 -0.0497 389 HOH C O   
4161 O O   . HOH K .   ? 0.3803 0.2380 0.2537 0.0021  -0.0868 0.0535  390 HOH C O   
4162 O O   . HOH K .   ? 0.7204 0.5021 0.4371 0.0802  -0.0111 0.0403  391 HOH C O   
4163 O O   . HOH K .   ? 0.4424 0.2718 0.2873 -0.0658 0.0308  0.0544  392 HOH C O   
4164 O O   . HOH K .   ? 0.3884 0.6492 0.2940 -0.0507 -0.0263 -0.0829 393 HOH C O   
4165 O O   . HOH K .   ? 0.5490 0.5645 0.5696 -0.1135 -0.1900 0.2084  394 HOH C O   
4166 O O   . HOH K .   ? 0.4331 0.4627 0.5442 -0.1521 -0.1505 -0.0026 395 HOH C O   
4167 O O   . HOH K .   ? 0.5354 0.6426 0.4730 0.0818  -0.1839 0.1704  396 HOH C O   
4168 O O   . HOH K .   ? 0.4666 0.7660 0.4192 0.0568  -0.1584 0.0889  397 HOH C O   
4169 O O   . HOH K .   ? 0.5953 0.5978 0.6779 0.1488  -0.1623 0.2735  398 HOH C O   
4170 O O   . HOH K .   ? 0.5891 0.4569 0.4016 -0.1182 0.1242  -0.1532 399 HOH C O   
4171 O O   . HOH K .   ? 0.4567 0.5403 0.7596 -0.0392 -0.0382 0.1037  400 HOH C O   
4172 O O   . HOH K .   ? 0.5056 0.5269 0.5368 -0.0432 0.1550  -0.1331 401 HOH C O   
4173 O O   . HOH K .   ? 0.3854 0.4426 0.2766 -0.0732 0.0179  -0.0171 402 HOH C O   
4174 O O   . HOH K .   ? 0.6309 0.5434 0.3596 0.0638  -0.1416 0.0691  403 HOH C O   
4175 O O   . HOH K .   ? 0.5270 0.4571 0.3794 0.0625  -0.0576 -0.1521 404 HOH C O   
4176 O O   . HOH K .   ? 0.4680 0.6142 0.7083 -0.0384 0.0059  -0.0599 405 HOH C O   
4177 O O   . HOH K .   ? 0.5504 0.6478 0.4544 0.0549  -0.1626 0.1589  406 HOH C O   
4178 O O   . HOH K .   ? 0.4179 0.2731 0.4111 0.0488  0.1004  -0.0242 407 HOH C O   
4179 O O   . HOH K .   ? 0.6798 0.5483 0.4839 -0.0152 0.1425  0.0482  408 HOH C O   
4180 O O   . HOH K .   ? 0.6436 0.3482 0.3351 -0.0271 0.0950  -0.0393 409 HOH C O   
4181 O O   . HOH K .   ? 0.5473 0.3777 0.6685 -0.1114 0.1007  0.1933  410 HOH C O   
4182 O O   . HOH K .   ? 0.6553 0.5872 0.6255 -0.0646 -0.0166 0.0257  411 HOH C O   
4183 O O   . HOH K .   ? 0.4759 0.4828 0.3291 -0.0194 0.0215  0.1224  412 HOH C O   
4184 O O   . HOH K .   ? 0.3473 0.2544 0.2308 0.0125  -0.0493 -0.0207 413 HOH C O   
4185 O O   . HOH K .   ? 0.5193 0.5408 0.5659 0.1502  0.1031  -0.1745 414 HOH C O   
4186 O O   . HOH K .   ? 0.4877 0.3773 0.1927 0.0233  0.0492  0.0246  415 HOH C O   
4187 O O   . HOH K .   ? 0.5439 0.6413 0.5256 -0.0730 0.0691  -0.0526 416 HOH C O   
4188 O O   . HOH K .   ? 0.7612 0.4322 0.7067 0.0775  -0.1238 0.2759  417 HOH C O   
4189 O O   . HOH K .   ? 0.5176 0.3636 0.8238 0.1125  0.0698  -0.1725 418 HOH C O   
4190 O O   . HOH K .   ? 0.5395 0.6553 0.5953 0.1482  0.0617  -0.0603 419 HOH C O   
4191 O O   . HOH K .   ? 0.4226 0.5318 0.4497 0.0311  -0.1277 0.0158  420 HOH C O   
4192 O O   . HOH K .   ? 0.5938 0.3457 0.5680 0.0469  -0.0844 -0.1409 421 HOH C O   
4193 O O   . HOH K .   ? 0.5022 0.4633 0.7048 -0.0463 0.1738  0.2051  422 HOH C O   
4194 O O   . HOH K .   ? 0.5411 0.3632 0.7473 -0.1727 -0.1502 -0.0072 423 HOH C O   
4195 O O   . HOH K .   ? 0.7022 0.4011 0.6300 -0.1070 0.0314  0.2162  424 HOH C O   
4196 O O   . HOH K .   ? 0.5819 0.5558 0.7564 -0.0343 0.1036  0.0075  425 HOH C O   
4197 O O   . HOH K .   ? 0.6340 0.5884 0.5423 -0.0275 -0.0202 0.1527  426 HOH C O   
4198 O O   . HOH K .   ? 0.6426 0.7063 0.6622 0.0505  0.0970  -0.0502 427 HOH C O   
4199 O O   . HOH K .   ? 0.6875 0.5612 0.6742 -0.0829 -0.0096 -0.1073 428 HOH C O   
4200 O O   . HOH K .   ? 0.5752 0.6053 0.5352 0.0362  0.0063  -0.0584 429 HOH C O   
4201 O O   . HOH K .   ? 0.5534 0.4586 0.4016 -0.1508 0.0883  0.1069  430 HOH C O   
4202 O O   . HOH K .   ? 0.5246 0.4505 0.2920 -0.0318 -0.0638 -0.0941 431 HOH C O   
4203 O O   . HOH K .   ? 0.6604 0.2821 0.5293 -0.0897 -0.0396 -0.0292 432 HOH C O   
4204 O O   . HOH K .   ? 0.6315 0.4355 0.4138 -0.0025 -0.0837 0.0483  433 HOH C O   
4205 O O   . HOH K .   ? 0.6250 0.5516 0.4761 0.0548  0.1021  -0.0437 434 HOH C O   
4206 O O   . HOH K .   ? 0.6039 0.5793 0.5670 -0.0732 0.0179  -0.0430 435 HOH C O   
4207 O O   . HOH K .   ? 0.5969 0.5182 0.2826 -0.1104 -0.0694 -0.0557 436 HOH C O   
4208 O O   . HOH K .   ? 0.3603 0.3354 0.3613 -0.0050 0.0615  0.0010  437 HOH C O   
4209 O O   . HOH K .   ? 0.5041 0.6412 0.3867 0.0759  0.1147  0.0263  438 HOH C O   
4210 O O   . HOH K .   ? 0.3224 0.4361 0.4439 -0.1250 0.1117  -0.0680 439 HOH C O   
4211 O O   . HOH K .   ? 0.5329 0.4084 0.5334 0.0117  0.1297  0.1082  440 HOH C O   
4212 O O   . HOH K .   ? 0.4815 0.6114 0.3696 0.0818  -0.1813 -0.0582 441 HOH C O   
4213 O O   . HOH K .   ? 0.6517 0.4900 0.3986 -0.1287 -0.0003 0.0549  442 HOH C O   
4214 O O   . HOH K .   ? 0.6373 0.3097 0.4458 0.0850  0.0587  0.0418  443 HOH C O   
4215 O O   . HOH K .   ? 0.5831 0.2578 0.3497 -0.0523 0.0896  -0.0637 444 HOH C O   
4216 O O   . HOH K .   ? 0.4947 0.2768 0.4994 -0.0967 -0.1055 -0.0141 445 HOH C O   
4217 O O   . HOH K .   ? 0.4209 0.4109 0.5533 -0.0454 0.1211  -0.1900 446 HOH C O   
4218 O O   . HOH K .   ? 0.5776 0.5294 0.5456 -0.1900 -0.0609 0.0082  447 HOH C O   
4219 O O   . HOH K .   ? 0.6557 0.4949 0.7353 0.1945  0.0660  -0.1784 448 HOH C O   
4220 O O   . HOH K .   ? 0.6390 0.4752 0.6106 -0.0679 0.0060  0.0254  449 HOH C O   
4221 O O   . HOH K .   ? 0.4761 0.4821 0.3849 0.0461  -0.0022 0.0082  450 HOH C O   
4222 O O   . HOH K .   ? 0.5955 0.5638 0.6869 0.1350  -0.0862 -0.1001 451 HOH C O   
4223 O O   . HOH K .   ? 0.6327 0.3947 0.4846 0.0478  -0.0573 0.0175  452 HOH C O   
4224 O O   . HOH K .   ? 0.6222 0.6226 0.5207 -0.0919 -0.0517 0.0751  453 HOH C O   
4225 O O   . HOH K .   ? 0.8058 0.6342 0.6522 0.0015  0.1449  -0.0668 454 HOH C O   
4226 O O   . HOH K .   ? 0.7516 0.5155 0.7080 -0.1235 -0.0026 -0.0801 455 HOH C O   
4227 O O   . HOH K .   ? 0.6942 0.7354 0.4537 -0.0449 0.1658  -0.0292 456 HOH C O   
4228 O O   . HOH K .   ? 0.6472 0.5869 0.5585 -0.1284 0.0546  0.2715  457 HOH C O   
4229 O O   . HOH L .   ? 0.4353 0.5831 0.6044 0.0331  0.1383  0.2041  301 HOH D O   
4230 O O   . HOH L .   ? 0.5032 0.6100 0.5212 0.0825  -0.0389 -0.1205 302 HOH D O   
4231 O O   . HOH L .   ? 0.5669 0.6674 0.3850 0.0512  -0.0998 0.2503  303 HOH D O   
4232 O O   . HOH L .   ? 0.2246 0.2198 0.1098 -0.0136 -0.0251 -0.0129 304 HOH D O   
4233 O O   . HOH L .   ? 0.6904 0.4440 0.4402 -0.0349 0.1251  -0.1757 305 HOH D O   
4234 O O   . HOH L .   ? 0.2463 0.2200 0.1748 0.0302  0.0062  -0.0868 306 HOH D O   
4235 O O   . HOH L .   ? 0.4152 0.5253 0.3336 -0.0492 -0.1634 0.0182  307 HOH D O   
4236 O O   . HOH L .   ? 0.7005 0.4711 0.2758 0.0886  -0.0296 -0.0594 308 HOH D O   
4237 O O   . HOH L .   ? 0.3818 0.5319 0.1919 -0.0722 0.0333  -0.1241 309 HOH D O   
4238 O O   . HOH L .   ? 0.4461 0.5439 0.4067 0.1457  0.1917  0.2166  310 HOH D O   
4239 O O   . HOH L .   ? 0.6811 0.6008 0.5248 -0.0761 0.0502  0.0295  311 HOH D O   
4240 O O   . HOH L .   ? 0.5528 0.2639 0.3056 0.0919  -0.1900 -0.0906 312 HOH D O   
4241 O O   . HOH L .   ? 0.3829 0.3313 0.2153 -0.0740 0.0477  -0.0529 313 HOH D O   
4242 O O   . HOH L .   ? 0.3986 0.6890 0.2236 -0.1768 -0.0052 -0.0189 314 HOH D O   
4243 O O   . HOH L .   ? 0.3711 0.3478 0.4616 0.0829  -0.1576 0.0176  315 HOH D O   
4244 O O   . HOH L .   ? 0.2032 0.2073 0.1703 0.0143  -0.0322 0.0179  316 HOH D O   
4245 O O   . HOH L .   ? 0.3805 0.3838 0.2596 0.0635  -0.0403 -0.0088 317 HOH D O   
4246 O O   . HOH L .   ? 0.6506 0.5905 0.3597 -0.1895 -0.0206 0.0975  318 HOH D O   
4247 O O   . HOH L .   ? 0.5394 0.3164 0.6780 0.0270  0.1808  0.1152  319 HOH D O   
4248 O O   . HOH L .   ? 0.4427 0.6555 0.3896 0.1243  0.1726  -0.0145 320 HOH D O   
4249 O O   . HOH L .   ? 0.3005 0.3954 0.6137 0.0759  -0.0220 -0.1217 321 HOH D O   
4250 O O   . HOH L .   ? 0.3175 0.2450 0.1229 0.0379  0.0719  0.0469  322 HOH D O   
4251 O O   . HOH L .   ? 0.3599 0.2958 0.2493 0.0817  0.1440  0.0867  323 HOH D O   
4252 O O   . HOH L .   ? 0.3014 0.2465 0.2077 -0.0183 0.0076  -0.0264 324 HOH D O   
4253 O O   . HOH L .   ? 0.3081 0.3062 0.2786 0.0316  0.0457  -0.0571 325 HOH D O   
4254 O O   . HOH L .   ? 0.1596 0.1867 0.1302 0.0011  0.0205  -0.0158 326 HOH D O   
4255 O O   . HOH L .   ? 0.4060 0.2739 0.2036 -0.0535 0.0027  -0.0096 327 HOH D O   
4256 O O   . HOH L .   ? 0.2605 0.2149 0.1734 0.0193  -0.0027 -0.0370 328 HOH D O   
4257 O O   . HOH L .   ? 0.5004 0.2747 0.1777 0.1154  -0.0893 0.0068  329 HOH D O   
4258 O O   . HOH L .   ? 0.5863 0.7099 0.3838 0.0168  0.1454  0.1214  330 HOH D O   
4259 O O   . HOH L .   ? 0.6563 0.3965 0.2538 0.1879  0.1361  0.0107  331 HOH D O   
4260 O O   . HOH L .   ? 0.3290 0.3325 0.1890 -0.0249 -0.0535 0.0149  332 HOH D O   
4261 O O   . HOH L .   ? 0.4010 0.7688 0.3255 0.0157  -0.0603 0.1526  333 HOH D O   
4262 O O   . HOH L .   ? 0.6111 0.3623 0.2896 -0.1900 -0.0894 0.0261  334 HOH D O   
4263 O O   . HOH L .   ? 0.6441 0.2391 0.4370 -0.0162 -0.0201 0.0401  335 HOH D O   
4264 O O   . HOH L .   ? 0.3846 0.3496 0.6861 0.0040  -0.0141 -0.1773 336 HOH D O   
4265 O O   . HOH L .   ? 0.3834 0.3724 0.4130 -0.0333 -0.1075 -0.0070 337 HOH D O   
4266 O O   . HOH L .   ? 0.3318 0.2506 0.3246 0.0411  0.0861  -0.0520 338 HOH D O   
4267 O O   . HOH L .   ? 0.4468 0.4617 0.4484 0.1205  -0.0224 -0.0340 339 HOH D O   
4268 O O   . HOH L .   ? 0.4790 0.5395 0.5511 -0.1105 -0.1642 -0.0336 340 HOH D O   
4269 O O   . HOH L .   ? 0.5048 0.6385 0.4823 0.0336  0.0170  -0.0036 341 HOH D O   
4270 O O   . HOH L .   ? 0.2015 0.2533 0.1834 0.0017  0.0184  -0.0302 342 HOH D O   
4271 O O   . HOH L .   ? 0.2766 0.1918 0.1835 0.0373  0.0268  -0.0274 343 HOH D O   
4272 O O   . HOH L .   ? 0.2886 0.1936 0.1560 0.0317  0.0107  -0.0234 344 HOH D O   
4273 O O   . HOH L .   ? 0.3671 0.3649 0.3931 -0.0058 -0.0140 0.0591  345 HOH D O   
4274 O O   . HOH L .   ? 0.2579 0.1892 0.5121 0.0310  -0.0268 -0.0020 346 HOH D O   
4275 O O   . HOH L .   ? 0.3965 0.4155 0.5310 -0.0796 0.0230  0.2355  347 HOH D O   
4276 O O   . HOH L .   ? 0.5631 0.3883 0.4224 -0.0354 0.0354  -0.1785 348 HOH D O   
4277 O O   . HOH L .   ? 0.4001 0.6701 0.3723 -0.0108 -0.1314 0.0200  349 HOH D O   
4278 O O   . HOH L .   ? 0.3686 0.3871 0.2502 -0.0254 0.0379  -0.0612 350 HOH D O   
4279 O O   . HOH L .   ? 0.4115 0.3548 0.3013 0.0695  0.0351  0.0108  351 HOH D O   
4280 O O   . HOH L .   ? 0.4930 0.3239 0.2410 0.0823  0.0888  0.0688  352 HOH D O   
4281 O O   . HOH L .   ? 0.5558 0.5353 0.2175 -0.0599 0.0294  -0.0231 353 HOH D O   
4282 O O   . HOH L .   ? 0.4698 0.5759 0.5588 -0.0527 -0.0213 -0.1709 354 HOH D O   
4283 O O   . HOH L .   ? 0.4713 0.2719 0.5112 -0.0070 -0.1900 0.0646  355 HOH D O   
4284 O O   . HOH L .   ? 0.4584 0.2594 0.1901 0.0584  -0.0068 0.0112  356 HOH D O   
4285 O O   . HOH L .   ? 0.2408 0.2375 0.2292 0.0009  0.0327  -0.0570 357 HOH D O   
4286 O O   . HOH L .   ? 0.4519 0.5817 0.2878 0.2174  -0.1218 -0.1690 358 HOH D O   
4287 O O   . HOH L .   ? 0.4173 0.4330 0.3574 0.0739  -0.1900 -0.0674 359 HOH D O   
4288 O O   . HOH L .   ? 0.4654 0.4025 0.3261 -0.0119 -0.0075 0.1424  360 HOH D O   
4289 O O   . HOH L .   ? 0.3446 0.4188 0.4676 -0.0675 0.1697  -0.0961 361 HOH D O   
4290 O O   . HOH L .   ? 0.2221 0.1906 0.2563 0.0149  -0.0277 0.0440  362 HOH D O   
4291 O O   . HOH L .   ? 0.6304 0.5747 0.4969 0.2217  0.0735  -0.0343 363 HOH D O   
4292 O O   . HOH L .   ? 0.5352 0.4758 0.4225 -0.0732 -0.1479 0.1807  364 HOH D O   
4293 O O   . HOH L .   ? 0.2970 0.5859 0.3677 -0.0167 -0.0234 -0.1315 365 HOH D O   
4294 O O   . HOH L .   ? 0.6388 0.5611 0.5573 0.1194  0.0859  -0.1341 366 HOH D O   
4295 O O   . HOH L .   ? 0.6076 0.4554 0.5130 -0.1255 0.1599  -0.0862 367 HOH D O   
4296 O O   . HOH L .   ? 0.3677 0.3758 0.1655 0.0355  0.0410  0.0528  368 HOH D O   
4297 O O   . HOH L .   ? 0.3514 0.4390 0.4279 -0.0311 0.1257  -0.0497 369 HOH D O   
4298 O O   . HOH L .   ? 0.4658 0.4439 0.7887 0.1898  0.1480  -0.0527 370 HOH D O   
4299 O O   . HOH L .   ? 0.3725 0.3345 0.1739 -0.0265 -0.0249 -0.0701 371 HOH D O   
4300 O O   . HOH L .   ? 0.2733 0.3416 0.2646 -0.0159 0.0395  -0.0771 372 HOH D O   
4301 O O   . HOH L .   ? 0.3316 0.3142 0.2225 -0.0964 0.0086  0.0040  373 HOH D O   
4302 O O   . HOH L .   ? 0.3502 0.2368 0.1994 -0.0434 0.0563  0.0025  374 HOH D O   
4303 O O   . HOH L .   ? 0.4272 0.7097 0.4330 0.0561  -0.1538 0.0024  375 HOH D O   
4304 O O   . HOH L .   ? 0.5509 0.5940 0.2830 0.2387  0.1478  0.1065  376 HOH D O   
4305 O O   . HOH L .   ? 0.6771 0.2817 0.2904 0.1558  -0.1036 0.0266  377 HOH D O   
4306 O O   . HOH L .   ? 0.3264 0.3378 0.7638 -0.0121 -0.0345 0.1421  378 HOH D O   
4307 O O   . HOH L .   ? 0.3308 0.3942 0.4861 -0.0293 -0.0111 0.1641  379 HOH D O   
4308 O O   . HOH L .   ? 0.5459 0.6597 0.5824 0.0302  0.0125  0.2961  380 HOH D O   
4309 O O   . HOH L .   ? 0.3737 0.4105 0.3105 0.1554  -0.1232 -0.0713 381 HOH D O   
4310 O O   . HOH L .   ? 0.4463 0.3527 0.3174 -0.0598 0.0458  -0.0217 382 HOH D O   
4311 O O   . HOH L .   ? 0.3030 0.8125 0.3282 -0.1701 0.0466  -0.0072 383 HOH D O   
4312 O O   . HOH L .   ? 0.3249 0.5681 0.4738 -0.1767 -0.0345 0.1366  384 HOH D O   
4313 O O   . HOH L .   ? 0.5736 0.2192 0.5051 0.0216  -0.0134 0.1605  385 HOH D O   
4314 O O   . HOH L .   ? 0.5354 0.3654 0.3372 0.0182  0.0404  -0.1079 386 HOH D O   
4315 O O   . HOH L .   ? 0.5317 0.6510 0.6112 -0.1616 0.1650  0.2213  387 HOH D O   
4316 O O   . HOH L .   ? 0.5630 0.4108 0.2278 0.0858  -0.0382 -0.0750 388 HOH D O   
4317 O O   . HOH L .   ? 0.3797 0.3944 0.3514 -0.0137 -0.1164 -0.0131 389 HOH D O   
4318 O O   . HOH L .   ? 0.4870 0.3301 0.5921 0.1494  0.1149  -0.0339 390 HOH D O   
4319 O O   . HOH L .   ? 0.3271 0.3780 0.2271 0.0691  -0.0553 0.0300  391 HOH D O   
4320 O O   . HOH L .   ? 0.4207 0.7131 0.3743 0.1515  -0.0406 -0.1168 392 HOH D O   
4321 O O   . HOH L .   ? 0.5425 0.6938 0.5190 -0.0275 0.1052  0.0198  393 HOH D O   
4322 O O   . HOH L .   ? 0.3126 0.5832 0.3989 0.1274  0.0221  -0.0826 394 HOH D O   
4323 O O   . HOH L .   ? 0.5714 0.7685 0.4174 -0.0380 0.0709  -0.1156 395 HOH D O   
4324 O O   . HOH L .   ? 0.4079 0.5315 0.4298 0.0083  0.0279  -0.0283 396 HOH D O   
4325 O O   . HOH L .   ? 0.7642 0.7406 0.3936 0.1903  0.1398  -0.0539 397 HOH D O   
4326 O O   . HOH L .   ? 0.3913 0.5839 0.2653 0.1038  0.0762  0.0644  398 HOH D O   
4327 O O   . HOH L .   ? 0.4796 0.3649 0.6255 -0.0419 0.0860  0.0566  399 HOH D O   
4328 O O   . HOH L .   ? 0.3503 0.6409 0.3567 -0.0286 -0.0702 0.1530  400 HOH D O   
4329 O O   . HOH L .   ? 0.5944 0.4664 0.3361 0.0658  -0.1095 -0.0956 401 HOH D O   
4330 O O   . HOH L .   ? 0.4337 0.4214 0.3047 0.0965  0.0877  -0.0534 402 HOH D O   
4331 O O   . HOH L .   ? 0.4529 0.4049 0.4329 0.0436  0.0614  0.1541  403 HOH D O   
4332 O O   . HOH L .   ? 0.4924 0.6121 0.5742 0.1056  -0.0949 0.0309  404 HOH D O   
4333 O O   . HOH L .   ? 0.6296 0.6358 0.5309 0.0922  0.1831  -0.1665 405 HOH D O   
4334 O O   . HOH L .   ? 0.5140 0.6592 0.7135 -0.0815 -0.1111 -0.0318 406 HOH D O   
4335 O O   . HOH L .   ? 0.5385 0.6348 0.6994 0.1538  -0.0994 -0.1076 407 HOH D O   
4336 O O   . HOH L .   ? 0.5841 0.2854 0.3805 -0.0873 -0.1426 0.0821  408 HOH D O   
4337 O O   . HOH L .   ? 0.4034 0.6383 0.3401 -0.0227 0.0588  -0.1648 409 HOH D O   
4338 O O   . HOH L .   ? 0.3242 0.3377 0.2955 -0.0559 -0.0154 -0.0599 410 HOH D O   
4339 O O   . HOH L .   ? 0.4097 0.4418 0.4159 -0.0660 0.0918  -0.0209 411 HOH D O   
4340 O O   . HOH L .   ? 0.5925 0.5079 0.3567 0.0936  0.1495  0.0320  412 HOH D O   
4341 O O   . HOH L .   ? 0.5770 0.6968 0.4262 0.0355  0.0209  -0.0782 413 HOH D O   
4342 O O   . HOH L .   ? 0.7900 0.4666 0.4099 0.1681  0.0357  0.1025  414 HOH D O   
4343 O O   . HOH L .   ? 0.6048 0.6387 0.2696 0.1051  -0.0112 -0.0708 415 HOH D O   
4344 O O   . HOH L .   ? 0.5238 0.3917 0.2503 0.0588  -0.0870 -0.0036 416 HOH D O   
4345 O O   . HOH L .   ? 0.4829 0.6445 0.4386 -0.0921 -0.0654 -0.0918 417 HOH D O   
4346 O O   . HOH L .   ? 0.4925 0.2559 0.2460 -0.0168 0.0549  -0.0348 418 HOH D O   
4347 O O   . HOH L .   ? 0.4397 0.3070 0.2970 -0.0447 0.0455  -0.0759 419 HOH D O   
4348 O O   . HOH L .   ? 0.7635 0.4062 0.5661 -0.0621 0.2220  0.1783  420 HOH D O   
4349 O O   . HOH L .   ? 0.5574 0.5494 0.7777 -0.0474 -0.0759 0.1586  421 HOH D O   
4350 O O   . HOH L .   ? 0.5803 0.6377 0.5615 -0.0347 0.1380  -0.0432 422 HOH D O   
4351 O O   . HOH L .   ? 0.5846 0.7907 0.5137 0.1149  -0.0731 0.0395  423 HOH D O   
4352 O O   . HOH L .   ? 0.6792 0.4083 0.2227 -0.0292 -0.0524 0.0049  424 HOH D O   
4353 O O   . HOH L .   ? 0.4977 0.6639 0.7322 -0.0641 0.0049  0.1080  425 HOH D O   
4354 O O   . HOH L .   ? 0.4753 0.6310 0.4904 0.1905  -0.0199 -0.0558 426 HOH D O   
4355 O O   . HOH L .   ? 0.6649 0.4081 0.4209 -0.0722 0.1050  0.0278  427 HOH D O   
4356 O O   . HOH L .   ? 0.7702 0.4888 0.3978 0.1817  0.0714  0.1342  428 HOH D O   
4357 O O   . HOH L .   ? 0.4384 0.4220 0.6036 0.0752  0.0082  0.2094  429 HOH D O   
4358 O O   . HOH L .   ? 0.2617 0.4110 0.2126 0.0355  0.0358  -0.0795 430 HOH D O   
4359 O O   . HOH L .   ? 0.5179 0.4917 0.3713 -0.1400 0.0882  -0.1629 431 HOH D O   
4360 O O   . HOH L .   ? 0.5458 0.2809 0.3267 -0.0020 -0.1110 -0.0332 432 HOH D O   
4361 O O   . HOH L .   ? 0.3918 0.5706 0.4011 0.0650  -0.0668 0.0412  433 HOH D O   
4362 O O   . HOH L .   ? 0.4772 0.4471 0.2804 -0.0366 -0.1736 0.0018  434 HOH D O   
4363 O O   . HOH L .   ? 0.4653 0.6457 0.4423 -0.1440 -0.1204 0.0129  435 HOH D O   
4364 O O   . HOH L .   ? 0.6492 0.4580 0.5873 -0.0495 0.0898  -0.0243 436 HOH D O   
4365 O O   . HOH L .   ? 0.8068 0.8358 0.5757 0.1289  0.0332  0.0356  437 HOH D O   
4366 O O   . HOH L .   ? 0.7521 0.4399 0.3566 -0.1439 0.0949  -0.0095 438 HOH D O   
4367 O O   . HOH L .   ? 0.5047 0.4725 0.4587 -0.1301 -0.0782 -0.0033 439 HOH D O   
4368 O O   . HOH L .   ? 0.5985 0.6063 0.3121 -0.0427 -0.1534 0.1756  440 HOH D O   
4369 O O   . HOH L .   ? 0.4682 0.7739 0.4419 -0.0508 0.0166  -0.1332 441 HOH D O   
4370 O O   . HOH L .   ? 0.5539 0.5630 0.3466 -0.1027 0.0089  -0.0923 442 HOH D O   
4371 O O   . HOH L .   ? 0.8178 0.3742 0.5577 -0.1800 -0.0833 -0.1180 443 HOH D O   
4372 O O   . HOH L .   ? 0.6330 0.7255 0.4421 -0.0085 -0.1013 0.0041  444 HOH D O   
4373 O O   . HOH L .   ? 0.5453 0.2941 0.1912 -0.1035 0.0962  -0.0099 445 HOH D O   
4374 O O   . HOH L .   ? 0.5192 0.4899 0.3909 0.1268  -0.0546 -0.1702 446 HOH D O   
4375 O O   . HOH L .   ? 0.6210 0.4190 0.6759 -0.1144 -0.0962 0.0081  447 HOH D O   
4376 O O   . HOH L .   ? 0.6584 0.4236 0.4703 0.1534  0.0362  -0.0182 448 HOH D O   
4377 O O   . HOH L .   ? 0.4163 0.4381 0.4191 -0.0186 -0.0493 -0.1664 449 HOH D O   
4378 O O   . HOH L .   ? 0.6133 0.6010 0.5801 0.2164  0.0643  -0.1647 450 HOH D O   
# 
