# By using this file you agree to the legally binding terms of use found at
# https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md.
# To request access to the AlphaFold 3 model parameters, follow the process set
# out at https://github.com/google-deepmind/alphafold3. You may only use these if
# received directly from Google. Use is subject to terms of use available at
# https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md.
data_grumpy-teacher
#
_entry.id grumpy-teacher
#
loop_
_atom_type.symbol
C 
N 
O 
S 
#
loop_
_audit_author.name
_audit_author.pdbx_ordinal
"Google DeepMind" 1 
"Isomorphic Labs" 2 
#
_audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic
_audit_conform.dict_name     mmcif_ma.dic
_audit_conform.dict_version  1.4.5
#
loop_
_chem_comp.formula
_chem_comp.formula_weight
_chem_comp.id
_chem_comp.mon_nstd_flag
_chem_comp.name
_chem_comp.pdbx_smiles
_chem_comp.pdbx_synonyms
_chem_comp.type
"C3 H7 N O2"    89.093  ALA y ALANINE         C[C@@H](C(=O)O)N                     ? "L-PEPTIDE LINKING" 
"C6 H15 N4 O2"  175.209 ARG y ARGININE        C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N     ? "L-PEPTIDE LINKING" 
"C4 H8 N2 O3"   132.118 ASN y ASPARAGINE      C([C@@H](C(=O)O)N)C(=O)N             ? "L-PEPTIDE LINKING" 
"C4 H7 N O4"    133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O             ? "L-PEPTIDE LINKING" 
"C3 H7 N O2 S"  121.158 CYS y CYSTEINE        C([C@@H](C(=O)O)N)S                  ? "L-PEPTIDE LINKING" 
"C5 H10 N2 O3"  146.144 GLN y GLUTAMINE       C(CC(=O)N)[C@@H](C(=O)O)N            ? "L-PEPTIDE LINKING" 
"C5 H9 N O4"    147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N            ? "L-PEPTIDE LINKING" 
"C2 H5 N O2"    75.067  GLY y GLYCINE         C(C(=O)O)N                           ? "PEPTIDE LINKING"   
"C6 H10 N3 O2"  156.162 HIS y HISTIDINE       c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N     ? "L-PEPTIDE LINKING" 
"C6 H13 N O2"   131.173 ILE y ISOLEUCINE      CC[C@H](C)[C@@H](C(=O)O)N            ? "L-PEPTIDE LINKING" 
"C6 H13 N O2"   131.173 LEU y LEUCINE         CC(C)C[C@@H](C(=O)O)N                ? "L-PEPTIDE LINKING" 
"C6 H15 N2 O2"  147.195 LYS y LYSINE          C(CC[NH3+])C[C@@H](C(=O)O)N          ? "L-PEPTIDE LINKING" 
"C5 H11 N O2 S" 149.211 MET y METHIONINE      CSCC[C@@H](C(=O)O)N                  ? "L-PEPTIDE LINKING" 
"C9 H11 N O2"   165.189 PHE y PHENYLALANINE   c1ccc(cc1)C[C@@H](C(=O)O)N           ? "L-PEPTIDE LINKING" 
"C5 H9 N O2"    115.130 PRO y PROLINE         C1C[C@H](NC1)C(=O)O                  ? "L-PEPTIDE LINKING" 
"C3 H7 N O3"    105.093 SER y SERINE          C([C@@H](C(=O)O)N)O                  ? "L-PEPTIDE LINKING" 
"C4 H9 N O3"    119.119 THR y THREONINE       C[C@H]([C@@H](C(=O)O)N)O             ? "L-PEPTIDE LINKING" 
"C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN      c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" 
"C9 H11 N O3"   181.189 TYR y TYROSINE        c1cc(ccc1C[C@@H](C(=O)O)N)O          ? "L-PEPTIDE LINKING" 
"C5 H11 N O2"   117.146 VAL y VALINE          CC(C)[C@@H](C(=O)O)N                 ? "L-PEPTIDE LINKING" 
#
_citation.book_publisher          ?
_citation.country                 UK
_citation.id                      primary
_citation.journal_full            Nature
_citation.journal_id_ASTM         NATUAS
_citation.journal_id_CSD          0006
_citation.journal_id_ISSN         0028-0836
_citation.journal_volume          630
_citation.page_first              493
_citation.page_last               500
_citation.pdbx_database_id_DOI    10.1038/s41586-024-07487-w
_citation.pdbx_database_id_PubMed 38718835
_citation.title                   "Accurate structure prediction of biomolecular interactions with AlphaFold 3"
_citation.year                    2024
#
loop_
_citation_author.citation_id
_citation_author.name
_citation_author.ordinal
primary "Google DeepMind" 1 
primary "Isomorphic Labs" 2 
#
_entity.id               1
_entity.pdbx_description .
_entity.type             polymer
#
_entity_poly.entity_id      1
_entity_poly.pdbx_strand_id A
_entity_poly.type           polypeptide(L)
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.hetero
_entity_poly_seq.mon_id
_entity_poly_seq.num
1 n ASN 1   
1 n GLY 2   
1 n ASP 3   
1 n ALA 4   
1 n PRO 5   
1 n MET 6   
1 n PRO 7   
1 n ALA 8   
1 n LYS 9   
1 n MET 10  
1 n TYR 11  
1 n THR 12  
1 n GLU 13  
1 n GLU 14  
1 n ALA 15  
1 n PHE 16  
1 n VAL 17  
1 n LYS 18  
1 n TRP 19  
1 n GLU 20  
1 n PRO 21  
1 n GLU 22  
1 n ARG 23  
1 n PHE 24  
1 n PHE 25  
1 n SER 26  
1 n TYR 27  
1 n GLN 28  
1 n THR 29  
1 n TRP 30  
1 n ASN 31  
1 n SER 32  
1 n ARG 33  
1 n LYS 34  
1 n MET 35  
1 n HIS 36  
1 n ASP 37  
1 n LEU 38  
1 n ASN 39  
1 n CYS 40  
1 n TYR 41  
1 n LEU 42  
1 n HIS 43  
1 n ALA 44  
1 n MET 45  
1 n PRO 46  
1 n THR 47  
1 n VAL 48  
1 n PHE 49  
1 n ALA 50  
1 n MET 51  
1 n TRP 52  
1 n THR 53  
1 n MET 54  
1 n CYS 55  
1 n HIS 56  
1 n LEU 57  
1 n PRO 58  
1 n TRP 59  
1 n GLU 60  
1 n ILE 61  
1 n ILE 62  
1 n ARG 63  
1 n ASN 64  
1 n TRP 65  
1 n THR 66  
1 n ASN 67  
1 n TYR 68  
1 n THR 69  
1 n TRP 70  
1 n ILE 71  
1 n MET 72  
1 n HIS 73  
1 n ARG 74  
1 n VAL 75  
1 n LEU 76  
1 n THR 77  
1 n LYS 78  
1 n ASN 79  
1 n GLN 80  
1 n ARG 81  
1 n GLU 82  
1 n TRP 83  
1 n SER 84  
1 n MET 85  
1 n VAL 86  
1 n ILE 87  
1 n LEU 88  
1 n GLN 89  
1 n ILE 90  
1 n TRP 91  
1 n GLY 92  
1 n SER 93  
1 n ASN 94  
1 n ARG 95  
1 n PRO 96  
1 n PHE 97  
1 n MET 98  
1 n TYR 99  
1 n HIS 100 
#
_ma_data.content_type "model coordinates"
_ma_data.id           1
_ma_data.name         Model
#
_ma_model_list.data_id          1
_ma_model_list.model_group_id   1
_ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-10-24 23:07:17)"
_ma_model_list.model_id         1
_ma_model_list.model_name       "Top ranked model"
_ma_model_list.model_type       "Ab initio model"
_ma_model_list.ordinal_id       1
#
loop_
_ma_protocol_step.method_type
_ma_protocol_step.ordinal_id
_ma_protocol_step.protocol_id
_ma_protocol_step.step_id
"coevolution MSA" 1 1 1 
"template search" 2 1 2 
modeling          3 1 3 
#
loop_
_ma_qa_metric.id
_ma_qa_metric.mode
_ma_qa_metric.name
_ma_qa_metric.software_group_id
_ma_qa_metric.type
1 global pLDDT 1 pLDDT 
2 local  pLDDT 1 pLDDT 
#
_ma_qa_metric_global.metric_id    1
_ma_qa_metric_global.metric_value 36.68
_ma_qa_metric_global.model_id     1
_ma_qa_metric_global.ordinal_id   1
#
loop_
_ma_qa_metric_local.label_asym_id
_ma_qa_metric_local.label_comp_id
_ma_qa_metric_local.label_seq_id
_ma_qa_metric_local.metric_id
_ma_qa_metric_local.metric_value
_ma_qa_metric_local.model_id
_ma_qa_metric_local.ordinal_id
A ASN 1   2 48.58 1 1   
A GLY 2   2 49.28 1 2   
A ASP 3   2 43.99 1 3   
A ALA 4   2 48.29 1 4   
A PRO 5   2 43.83 1 5   
A MET 6   2 36.06 1 6   
A PRO 7   2 42.63 1 7   
A ALA 8   2 40.55 1 8   
A LYS 9   2 38.42 1 9   
A MET 10  2 36.67 1 10  
A TYR 11  2 34.90 1 11  
A THR 12  2 40.84 1 12  
A GLU 13  2 38.73 1 13  
A GLU 14  2 43.03 1 14  
A ALA 15  2 43.43 1 15  
A PHE 16  2 35.81 1 16  
A VAL 17  2 39.16 1 17  
A LYS 18  2 39.56 1 18  
A TRP 19  2 35.53 1 19  
A GLU 20  2 39.67 1 20  
A PRO 21  2 38.83 1 21  
A GLU 22  2 37.69 1 22  
A ARG 23  2 36.03 1 23  
A PHE 24  2 32.47 1 24  
A PHE 25  2 29.48 1 25  
A SER 26  2 33.44 1 26  
A TYR 27  2 30.54 1 27  
A GLN 28  2 30.23 1 28  
A THR 29  2 31.48 1 29  
A TRP 30  2 29.52 1 30  
A ASN 31  2 33.70 1 31  
A SER 32  2 37.74 1 32  
A ARG 33  2 37.19 1 33  
A LYS 34  2 39.03 1 34  
A MET 35  2 36.41 1 35  
A HIS 36  2 39.73 1 36  
A ASP 37  2 41.10 1 37  
A LEU 38  2 39.08 1 38  
A ASN 39  2 38.60 1 39  
A CYS 40  2 36.09 1 40  
A TYR 41  2 36.55 1 41  
A LEU 42  2 38.93 1 42  
A HIS 43  2 38.34 1 43  
A ALA 44  2 41.16 1 44  
A MET 45  2 38.34 1 45  
A PRO 46  2 41.89 1 46  
A THR 47  2 39.03 1 47  
A VAL 48  2 39.74 1 48  
A PHE 49  2 41.33 1 49  
A ALA 50  2 43.84 1 50  
A MET 51  2 39.38 1 51  
A TRP 52  2 39.92 1 52  
A THR 53  2 43.28 1 53  
A MET 54  2 39.41 1 54  
A CYS 55  2 39.26 1 55  
A HIS 56  2 39.77 1 56  
A LEU 57  2 42.54 1 57  
A PRO 58  2 45.54 1 58  
A TRP 59  2 38.11 1 59  
A GLU 60  2 43.61 1 60  
A ILE 61  2 42.19 1 61  
A ILE 62  2 42.12 1 62  
A ARG 63  2 42.41 1 63  
A ASN 64  2 43.21 1 64  
A TRP 65  2 39.00 1 65  
A THR 66  2 40.15 1 66  
A ASN 67  2 40.06 1 67  
A TYR 68  2 37.47 1 68  
A THR 69  2 39.47 1 69  
A TRP 70  2 31.52 1 70  
A ILE 71  2 36.61 1 71  
A MET 72  2 38.83 1 72  
A HIS 73  2 36.74 1 73  
A ARG 74  2 35.00 1 74  
A VAL 75  2 36.95 1 75  
A LEU 76  2 37.68 1 76  
A THR 77  2 38.87 1 77  
A LYS 78  2 39.27 1 78  
A ASN 79  2 35.83 1 79  
A GLN 80  2 36.14 1 80  
A ARG 81  2 35.33 1 81  
A GLU 82  2 35.51 1 82  
A TRP 83  2 33.24 1 83  
A SER 84  2 34.66 1 84  
A MET 85  2 31.27 1 85  
A VAL 86  2 34.55 1 86  
A ILE 87  2 34.36 1 87  
A LEU 88  2 29.79 1 88  
A GLN 89  2 31.45 1 89  
A ILE 90  2 34.47 1 90  
A TRP 91  2 28.72 1 91  
A GLY 92  2 32.72 1 92  
A SER 93  2 33.04 1 93  
A ASN 94  2 32.16 1 94  
A ARG 95  2 25.03 1 95  
A PRO 96  2 30.67 1 96  
A PHE 97  2 25.81 1 97  
A MET 98  2 25.12 1 98  
A TYR 99  2 22.83 1 99  
A HIS 100 2 25.87 1 100 
#
_ma_software_group.group_id    1
_ma_software_group.ordinal_id  1
_ma_software_group.software_id 1
#
_ma_target_entity.data_id   1
_ma_target_entity.entity_id 1
_ma_target_entity.origin    .
#
_ma_target_entity_instance.asym_id   A
_ma_target_entity_instance.details   .
_ma_target_entity_instance.entity_id 1
#
loop_
_pdbx_data_usage.details
_pdbx_data_usage.id
_pdbx_data_usage.type
_pdbx_data_usage.url
;Non-commercial use only, by using this file you agree to the terms of use found
at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md.
To request access to the AlphaFold 3 model parameters, follow the process set
out at https://github.com/google-deepmind/alphafold3. You may only use these if
received directly from Google. Use is subject to terms of use available at
https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md.
;
1 license    https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md 
;AlphaFold 3 and its output are not intended for, have not been validated for,
and are not approved for clinical use. They are provided "as-is" without any
warranty of any kind, whether expressed or implied. No warranty is given that
use shall not infringe the rights of any third party.
;
2 disclaimer ?                                                                              
#
loop_
_pdbx_poly_seq_scheme.asym_id
_pdbx_poly_seq_scheme.auth_seq_num
_pdbx_poly_seq_scheme.entity_id
_pdbx_poly_seq_scheme.hetero
_pdbx_poly_seq_scheme.mon_id
_pdbx_poly_seq_scheme.pdb_ins_code
_pdbx_poly_seq_scheme.pdb_seq_num
_pdbx_poly_seq_scheme.pdb_strand_id
_pdbx_poly_seq_scheme.seq_id
A 1   1 n ASN . 1   A 1   
A 2   1 n GLY . 2   A 2   
A 3   1 n ASP . 3   A 3   
A 4   1 n ALA . 4   A 4   
A 5   1 n PRO . 5   A 5   
A 6   1 n MET . 6   A 6   
A 7   1 n PRO . 7   A 7   
A 8   1 n ALA . 8   A 8   
A 9   1 n LYS . 9   A 9   
A 10  1 n MET . 10  A 10  
A 11  1 n TYR . 11  A 11  
A 12  1 n THR . 12  A 12  
A 13  1 n GLU . 13  A 13  
A 14  1 n GLU . 14  A 14  
A 15  1 n ALA . 15  A 15  
A 16  1 n PHE . 16  A 16  
A 17  1 n VAL . 17  A 17  
A 18  1 n LYS . 18  A 18  
A 19  1 n TRP . 19  A 19  
A 20  1 n GLU . 20  A 20  
A 21  1 n PRO . 21  A 21  
A 22  1 n GLU . 22  A 22  
A 23  1 n ARG . 23  A 23  
A 24  1 n PHE . 24  A 24  
A 25  1 n PHE . 25  A 25  
A 26  1 n SER . 26  A 26  
A 27  1 n TYR . 27  A 27  
A 28  1 n GLN . 28  A 28  
A 29  1 n THR . 29  A 29  
A 30  1 n TRP . 30  A 30  
A 31  1 n ASN . 31  A 31  
A 32  1 n SER . 32  A 32  
A 33  1 n ARG . 33  A 33  
A 34  1 n LYS . 34  A 34  
A 35  1 n MET . 35  A 35  
A 36  1 n HIS . 36  A 36  
A 37  1 n ASP . 37  A 37  
A 38  1 n LEU . 38  A 38  
A 39  1 n ASN . 39  A 39  
A 40  1 n CYS . 40  A 40  
A 41  1 n TYR . 41  A 41  
A 42  1 n LEU . 42  A 42  
A 43  1 n HIS . 43  A 43  
A 44  1 n ALA . 44  A 44  
A 45  1 n MET . 45  A 45  
A 46  1 n PRO . 46  A 46  
A 47  1 n THR . 47  A 47  
A 48  1 n VAL . 48  A 48  
A 49  1 n PHE . 49  A 49  
A 50  1 n ALA . 50  A 50  
A 51  1 n MET . 51  A 51  
A 52  1 n TRP . 52  A 52  
A 53  1 n THR . 53  A 53  
A 54  1 n MET . 54  A 54  
A 55  1 n CYS . 55  A 55  
A 56  1 n HIS . 56  A 56  
A 57  1 n LEU . 57  A 57  
A 58  1 n PRO . 58  A 58  
A 59  1 n TRP . 59  A 59  
A 60  1 n GLU . 60  A 60  
A 61  1 n ILE . 61  A 61  
A 62  1 n ILE . 62  A 62  
A 63  1 n ARG . 63  A 63  
A 64  1 n ASN . 64  A 64  
A 65  1 n TRP . 65  A 65  
A 66  1 n THR . 66  A 66  
A 67  1 n ASN . 67  A 67  
A 68  1 n TYR . 68  A 68  
A 69  1 n THR . 69  A 69  
A 70  1 n TRP . 70  A 70  
A 71  1 n ILE . 71  A 71  
A 72  1 n MET . 72  A 72  
A 73  1 n HIS . 73  A 73  
A 74  1 n ARG . 74  A 74  
A 75  1 n VAL . 75  A 75  
A 76  1 n LEU . 76  A 76  
A 77  1 n THR . 77  A 77  
A 78  1 n LYS . 78  A 78  
A 79  1 n ASN . 79  A 79  
A 80  1 n GLN . 80  A 80  
A 81  1 n ARG . 81  A 81  
A 82  1 n GLU . 82  A 82  
A 83  1 n TRP . 83  A 83  
A 84  1 n SER . 84  A 84  
A 85  1 n MET . 85  A 85  
A 86  1 n VAL . 86  A 86  
A 87  1 n ILE . 87  A 87  
A 88  1 n LEU . 88  A 88  
A 89  1 n GLN . 89  A 89  
A 90  1 n ILE . 90  A 90  
A 91  1 n TRP . 91  A 91  
A 92  1 n GLY . 92  A 92  
A 93  1 n SER . 93  A 93  
A 94  1 n ASN . 94  A 94  
A 95  1 n ARG . 95  A 95  
A 96  1 n PRO . 96  A 96  
A 97  1 n PHE . 97  A 97  
A 98  1 n MET . 98  A 98  
A 99  1 n TYR . 99  A 99  
A 100 1 n HIS . 100 A 100 
#
_software.classification other
_software.date           ?
_software.description    "Structure prediction"
_software.name           AlphaFold
_software.pdbx_ordinal   1
_software.type           package
_software.version        "AlphaFold-beta-20231127 (25b635fa27adb4b12654a9dc6367a96b1463ec03aa886066ffc6cf0691bbe007)"
#
_struct_asym.entity_id 1
_struct_asym.id        A
#
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.auth_seq_id
_atom_site.auth_asym_id
_atom_site.pdbx_PDB_model_num
ATOM 1   N N   . ASN A 1 1   ? 1.780   -33.829 12.513  1.00 44.13 1   A 1 
ATOM 2   C CA  . ASN A 1 1   ? 2.308   -32.585 13.114  1.00 52.46 1   A 1 
ATOM 3   C C   . ASN A 1 1   ? 1.741   -31.430 12.313  1.00 50.52 1   A 1 
ATOM 4   O O   . ASN A 1 1   ? 2.197   -31.210 11.204  1.00 49.54 1   A 1 
ATOM 5   C CB  . ASN A 1 1   ? 3.850   -32.613 13.152  1.00 52.53 1   A 1 
ATOM 6   C CG  . ASN A 1 1   ? 4.341   -33.638 14.157  1.00 48.09 1   A 1 
ATOM 7   O OD1 . ASN A 1 1   ? 3.548   -34.176 14.917  1.00 46.57 1   A 1 
ATOM 8   N ND2 . ASN A 1 1   ? 5.597   -34.005 14.152  1.00 44.82 1   A 1 
ATOM 9   N N   . GLY A 1 2   ? 0.652   -30.852 12.798  1.00 46.28 2   A 1 
ATOM 10  C CA  . GLY A 1 2   ? 0.029   -29.696 12.149  1.00 51.80 2   A 1 
ATOM 11  C C   . GLY A 1 2   ? 0.861   -28.455 12.429  1.00 51.07 2   A 1 
ATOM 12  O O   . GLY A 1 2   ? 1.152   -28.168 13.591  1.00 47.96 2   A 1 
ATOM 13  N N   . ASP A 1 3   ? 1.261   -27.776 11.370  1.00 42.32 3   A 1 
ATOM 14  C CA  . ASP A 1 3   ? 1.916   -26.480 11.473  1.00 47.58 3   A 1 
ATOM 15  C C   . ASP A 1 3   ? 0.958   -25.506 12.167  1.00 46.10 3   A 1 
ATOM 16  O O   . ASP A 1 3   ? -0.128  -25.201 11.664  1.00 44.07 3   A 1 
ATOM 17  C CB  . ASP A 1 3   ? 2.343   -25.988 10.084  1.00 47.39 3   A 1 
ATOM 18  C CG  . ASP A 1 3   ? 3.481   -26.829 9.495   1.00 43.32 3   A 1 
ATOM 19  O OD1 . ASP A 1 3   ? 4.417   -27.152 10.258  1.00 41.04 3   A 1 
ATOM 20  O OD2 . ASP A 1 3   ? 3.383   -27.176 8.296   1.00 40.07 3   A 1 
ATOM 21  N N   . ALA A 1 4   ? 1.335   -25.075 13.365  1.00 45.15 4   A 1 
ATOM 22  C CA  . ALA A 1 4   ? 0.602   -24.041 14.076  1.00 49.88 4   A 1 
ATOM 23  C C   . ALA A 1 4   ? 0.589   -22.765 13.213  1.00 49.18 4   A 1 
ATOM 24  O O   . ALA A 1 4   ? 1.633   -22.394 12.670  1.00 47.64 4   A 1 
ATOM 25  C CB  . ALA A 1 4   ? 1.253   -23.810 15.443  1.00 49.61 4   A 1 
ATOM 26  N N   . PRO A 1 5   ? -0.559  -22.086 13.068  1.00 41.77 5   A 1 
ATOM 27  C CA  . PRO A 1 5   ? -0.609  -20.838 12.323  1.00 44.81 5   A 1 
ATOM 28  C C   . PRO A 1 5   ? 0.357   -19.842 12.971  1.00 45.58 5   A 1 
ATOM 29  O O   . PRO A 1 5   ? 0.306   -19.619 14.180  1.00 44.44 5   A 1 
ATOM 30  C CB  . PRO A 1 5   ? -2.071  -20.384 12.362  1.00 43.65 5   A 1 
ATOM 31  C CG  . PRO A 1 5   ? -2.632  -21.065 13.612  1.00 41.72 5   A 1 
ATOM 32  C CD  . PRO A 1 5   ? -1.832  -22.363 13.709  1.00 44.84 5   A 1 
ATOM 33  N N   . MET A 1 6   ? 1.266   -19.273 12.166  1.00 36.12 6   A 1 
ATOM 34  C CA  . MET A 1 6   ? 2.153   -18.220 12.658  1.00 39.09 6   A 1 
ATOM 35  C C   . MET A 1 6   ? 1.307   -17.116 13.300  1.00 39.98 6   A 1 
ATOM 36  O O   . MET A 1 6   ? 0.313   -16.693 12.703  1.00 39.24 6   A 1 
ATOM 37  C CB  . MET A 1 6   ? 3.008   -17.612 11.541  1.00 38.60 6   A 1 
ATOM 38  C CG  . MET A 1 6   ? 4.235   -18.448 11.176  1.00 34.03 6   A 1 
ATOM 39  S SD  . MET A 1 6   ? 5.486   -17.483 10.283  1.00 31.56 6   A 1 
ATOM 40  C CE  . MET A 1 6   ? 6.167   -18.761 9.200   1.00 29.83 6   A 1 
ATOM 41  N N   . PRO A 1 7   ? 1.673   -16.645 14.498  1.00 40.42 7   A 1 
ATOM 42  C CA  . PRO A 1 7   ? 0.939   -15.568 15.138  1.00 43.33 7   A 1 
ATOM 43  C C   . PRO A 1 7   ? 0.957   -14.349 14.217  1.00 43.51 7   A 1 
ATOM 44  O O   . PRO A 1 7   ? 2.020   -13.915 13.765  1.00 43.05 7   A 1 
ATOM 45  C CB  . PRO A 1 7   ? 1.625   -15.327 16.485  1.00 42.75 7   A 1 
ATOM 46  C CG  . PRO A 1 7   ? 3.040   -15.861 16.271  1.00 41.06 7   A 1 
ATOM 47  C CD  . PRO A 1 7   ? 2.850   -16.995 15.267  1.00 44.27 7   A 1 
ATOM 48  N N   . ALA A 1 8   ? -0.225  -13.821 13.918  1.00 40.03 8   A 1 
ATOM 49  C CA  . ALA A 1 8   ? -0.369  -12.575 13.184  1.00 41.03 8   A 1 
ATOM 50  C C   . ALA A 1 8   ? 0.441   -11.504 13.925  1.00 41.82 8   A 1 
ATOM 51  O O   . ALA A 1 8   ? 0.103   -11.108 15.039  1.00 40.60 8   A 1 
ATOM 52  C CB  . ALA A 1 8   ? -1.854  -12.218 13.075  1.00 39.28 8   A 1 
ATOM 53  N N   . LYS A 1 9   ? 1.563   -11.105 13.335  1.00 39.30 9   A 1 
ATOM 54  C CA  . LYS A 1 9   ? 2.432   -10.082 13.900  1.00 41.53 9   A 1 
ATOM 55  C C   . LYS A 1 9   ? 1.632   -8.780  13.869  1.00 40.86 9   A 1 
ATOM 56  O O   . LYS A 1 9   ? 1.465   -8.192  12.806  1.00 39.89 9   A 1 
ATOM 57  C CB  . LYS A 1 9   ? 3.755   -10.053 13.116  1.00 41.69 9   A 1 
ATOM 58  C CG  . LYS A 1 9   ? 4.942   -9.601  13.981  1.00 38.25 9   A 1 
ATOM 59  C CD  . LYS A 1 9   ? 6.255   -9.723  13.187  1.00 36.90 9   A 1 
ATOM 60  C CE  . LYS A 1 9   ? 7.458   -9.455  14.091  1.00 34.77 9   A 1 
ATOM 61  N NZ  . LYS A 1 9   ? 8.737   -9.596  13.358  1.00 32.55 9   A 1 
ATOM 62  N N   . MET A 1 10  ? 1.066   -8.393  15.010  1.00 39.00 10  A 1 
ATOM 63  C CA  . MET A 1 10  ? 0.447   -7.081  15.170  1.00 40.07 10  A 1 
ATOM 64  C C   . MET A 1 10  ? 1.537   -6.040  14.930  1.00 40.76 10  A 1 
ATOM 65  O O   . MET A 1 10  ? 2.467   -5.905  15.720  1.00 39.46 10  A 1 
ATOM 66  C CB  . MET A 1 10  ? -0.181  -6.914  16.564  1.00 38.21 10  A 1 
ATOM 67  C CG  . MET A 1 10  ? -1.622  -7.433  16.634  1.00 33.82 10  A 1 
ATOM 68  S SD  . MET A 1 10  ? -2.409  -7.115  18.240  1.00 32.05 10  A 1 
ATOM 69  C CE  . MET A 1 10  ? -4.126  -7.524  17.857  1.00 29.99 10  A 1 
ATOM 70  N N   . TYR A 1 11  ? 1.466   -5.368  13.793  1.00 37.27 11  A 1 
ATOM 71  C CA  . TYR A 1 11  ? 2.332   -4.233  13.512  1.00 39.10 11  A 1 
ATOM 72  C C   . TYR A 1 11  ? 1.881   -3.089  14.416  1.00 39.10 11  A 1 
ATOM 73  O O   . TYR A 1 11  ? 0.766   -2.588  14.283  1.00 38.27 11  A 1 
ATOM 74  C CB  . TYR A 1 11  ? 2.287   -3.892  12.019  1.00 37.94 11  A 1 
ATOM 75  C CG  . TYR A 1 11  ? 2.973   -4.936  11.148  1.00 35.62 11  A 1 
ATOM 76  C CD1 . TYR A 1 11  ? 4.362   -4.855  10.921  1.00 33.32 11  A 1 
ATOM 77  C CD2 . TYR A 1 11  ? 2.238   -6.002  10.591  1.00 33.15 11  A 1 
ATOM 78  C CE1 . TYR A 1 11  ? 5.014   -5.827  10.138  1.00 31.48 11  A 1 
ATOM 79  C CE2 . TYR A 1 11  ? 2.888   -6.983  9.813   1.00 32.09 11  A 1 
ATOM 80  C CZ  . TYR A 1 11  ? 4.277   -6.894  9.585   1.00 31.14 11  A 1 
ATOM 81  O OH  . TYR A 1 11  ? 4.912   -7.837  8.832   1.00 30.33 11  A 1 
ATOM 82  N N   . THR A 1 12  ? 2.740   -2.736  15.370  1.00 41.46 12  A 1 
ATOM 83  C CA  . THR A 1 12  ? 2.538   -1.570  16.230  1.00 43.26 12  A 1 
ATOM 84  C C   . THR A 1 12  ? 2.615   -0.292  15.391  1.00 44.35 12  A 1 
ATOM 85  O O   . THR A 1 12  ? 3.259   -0.260  14.338  1.00 42.78 12  A 1 
ATOM 86  C CB  . THR A 1 12  ? 3.552   -1.550  17.387  1.00 41.12 12  A 1 
ATOM 87  O OG1 . THR A 1 12  ? 4.867   -1.679  16.896  1.00 36.48 12  A 1 
ATOM 88  C CG2 . THR A 1 12  ? 3.321   -2.705  18.363  1.00 36.45 12  A 1 
ATOM 89  N N   . GLU A 1 13  ? 1.969   0.761   15.856  1.00 41.37 13  A 1 
ATOM 90  C CA  . GLU A 1 13  ? 1.940   2.093   15.231  1.00 42.84 13  A 1 
ATOM 91  C C   . GLU A 1 13  ? 3.354   2.595   14.864  1.00 43.46 13  A 1 
ATOM 92  O O   . GLU A 1 13  ? 3.587   3.099   13.768  1.00 42.40 13  A 1 
ATOM 93  C CB  . GLU A 1 13  ? 1.227   3.004   16.244  1.00 41.98 13  A 1 
ATOM 94  C CG  . GLU A 1 13  ? 0.631   4.278   15.662  1.00 36.89 13  A 1 
ATOM 95  C CD  . GLU A 1 13  ? -0.246  5.027   16.689  1.00 34.23 13  A 1 
ATOM 96  O OE1 . GLU A 1 13  ? -0.933  5.980   16.261  1.00 32.33 13  A 1 
ATOM 97  O OE2 . GLU A 1 13  ? -0.233  4.635   17.878  1.00 33.07 13  A 1 
ATOM 98  N N   . GLU A 1 14  ? 4.346   2.296   15.711  1.00 43.99 14  A 1 
ATOM 99  C CA  . GLU A 1 14  ? 5.769   2.576   15.463  1.00 46.28 14  A 1 
ATOM 100 C C   . GLU A 1 14  ? 6.354   1.824   14.256  1.00 46.11 14  A 1 
ATOM 101 O O   . GLU A 1 14  ? 7.251   2.335   13.579  1.00 45.49 14  A 1 
ATOM 102 C CB  . GLU A 1 14  ? 6.584   2.176   16.697  1.00 46.95 14  A 1 
ATOM 103 C CG  . GLU A 1 14  ? 6.289   3.032   17.938  1.00 42.24 14  A 1 
ATOM 104 C CD  . GLU A 1 14  ? 7.177   2.634   19.126  1.00 39.64 14  A 1 
ATOM 105 O OE1 . GLU A 1 14  ? 7.385   3.493   20.005  1.00 37.75 14  A 1 
ATOM 106 O OE2 . GLU A 1 14  ? 7.659   1.471   19.138  1.00 38.78 14  A 1 
ATOM 107 N N   . ALA A 1 15  ? 5.872   0.611   13.970  1.00 43.07 15  A 1 
ATOM 108 C CA  . ALA A 1 15  ? 6.313   -0.160  12.808  1.00 44.11 15  A 1 
ATOM 109 C C   . ALA A 1 15  ? 5.755   0.416   11.495  1.00 43.85 15  A 1 
ATOM 110 O O   . ALA A 1 15  ? 6.386   0.271   10.451  1.00 43.08 15  A 1 
ATOM 111 C CB  . ALA A 1 15  ? 5.914   -1.628  13.002  1.00 43.02 15  A 1 
ATOM 112 N N   . PHE A 1 16  ? 4.608   1.089   11.564  1.00 38.05 16  A 1 
ATOM 113 C CA  . PHE A 1 16  ? 3.984   1.760   10.425  1.00 38.74 16  A 1 
ATOM 114 C C   . PHE A 1 16  ? 4.630   3.127   10.143  1.00 38.09 16  A 1 
ATOM 115 O O   . PHE A 1 16  ? 4.898   3.459   8.992   1.00 37.38 16  A 1 
ATOM 116 C CB  . PHE A 1 16  ? 2.478   1.871   10.686  1.00 38.14 16  A 1 
ATOM 117 C CG  . PHE A 1 16  ? 1.654   2.010   9.421   1.00 36.54 16  A 1 
ATOM 118 C CD1 . PHE A 1 16  ? 1.331   3.278   8.907   1.00 34.22 16  A 1 
ATOM 119 C CD2 . PHE A 1 16  ? 1.214   0.851   8.751   1.00 34.90 16  A 1 
ATOM 120 C CE1 . PHE A 1 16  ? 0.568   3.389   7.729   1.00 32.60 16  A 1 
ATOM 121 C CE2 . PHE A 1 16  ? 0.452   0.962   7.572   1.00 32.91 16  A 1 
ATOM 122 C CZ  . PHE A 1 16  ? 0.126   2.232   7.061   1.00 32.31 16  A 1 
ATOM 123 N N   . VAL A 1 17  ? 4.974   3.885   11.187  1.00 40.87 17  A 1 
ATOM 124 C CA  . VAL A 1 17  ? 5.663   5.193   11.082  1.00 41.45 17  A 1 
ATOM 125 C C   . VAL A 1 17  ? 7.084   5.056   10.517  1.00 41.57 17  A 1 
ATOM 126 O O   . VAL A 1 17  ? 7.559   5.943   9.814   1.00 39.80 17  A 1 
ATOM 127 C CB  . VAL A 1 17  ? 5.661   5.906   12.453  1.00 39.21 17  A 1 
ATOM 128 C CG1 . VAL A 1 17  ? 6.495   7.197   12.471  1.00 35.73 17  A 1 
ATOM 129 C CG2 . VAL A 1 17  ? 4.233   6.308   12.856  1.00 35.50 17  A 1 
ATOM 130 N N   . LYS A 1 18  ? 7.756   3.920   10.745  1.00 41.65 18  A 1 
ATOM 131 C CA  . LYS A 1 18  ? 9.076   3.605   10.158  1.00 42.49 18  A 1 
ATOM 132 C C   . LYS A 1 18  ? 9.007   3.004   8.748   1.00 41.77 18  A 1 
ATOM 133 O O   . LYS A 1 18  ? 10.026  2.546   8.226   1.00 40.37 18  A 1 
ATOM 134 C CB  . LYS A 1 18  ? 9.875   2.711   11.113  1.00 41.87 18  A 1 
ATOM 135 C CG  . LYS A 1 18  ? 10.420  3.509   12.302  1.00 39.06 18  A 1 
ATOM 136 C CD  . LYS A 1 18  ? 11.241  2.602   13.221  1.00 38.23 18  A 1 
ATOM 137 C CE  . LYS A 1 18  ? 11.790  3.431   14.380  1.00 36.95 18  A 1 
ATOM 138 N NZ  . LYS A 1 18  ? 12.498  2.595   15.374  1.00 33.67 18  A 1 
ATOM 139 N N   . TRP A 1 19  ? 7.817   2.947   8.152   1.00 38.56 19  A 1 
ATOM 140 C CA  . TRP A 1 19  ? 7.645   2.386   6.820   1.00 39.05 19  A 1 
ATOM 141 C C   . TRP A 1 19  ? 8.147   3.376   5.759   1.00 38.19 19  A 1 
ATOM 142 O O   . TRP A 1 19  ? 7.443   4.290   5.341   1.00 37.27 19  A 1 
ATOM 143 C CB  . TRP A 1 19  ? 6.187   1.966   6.632   1.00 37.85 19  A 1 
ATOM 144 C CG  . TRP A 1 19  ? 5.928   1.109   5.436   1.00 36.86 19  A 1 
ATOM 145 C CD1 . TRP A 1 19  ? 6.381   -0.150  5.258   1.00 34.67 19  A 1 
ATOM 146 C CD2 . TRP A 1 19  ? 5.145   1.427   4.243   1.00 35.71 19  A 1 
ATOM 147 N NE1 . TRP A 1 19  ? 5.927   -0.640  4.051   1.00 34.04 19  A 1 
ATOM 148 C CE2 . TRP A 1 19  ? 5.152   0.289   3.389   1.00 34.13 19  A 1 
ATOM 149 C CE3 . TRP A 1 19  ? 4.416   2.550   3.810   1.00 34.39 19  A 1 
ATOM 150 C CZ2 . TRP A 1 19  ? 4.460   0.261   2.172   1.00 32.62 19  A 1 
ATOM 151 C CZ3 . TRP A 1 19  ? 3.723   2.536   2.585   1.00 32.16 19  A 1 
ATOM 152 C CH2 . TRP A 1 19  ? 3.740   1.393   1.773   1.00 31.94 19  A 1 
ATOM 153 N N   . GLU A 1 20  ? 9.395   3.181   5.324   1.00 41.88 20  A 1 
ATOM 154 C CA  . GLU A 1 20  ? 9.992   3.917   4.210   1.00 42.99 20  A 1 
ATOM 155 C C   . GLU A 1 20  ? 9.467   3.340   2.884   1.00 42.51 20  A 1 
ATOM 156 O O   . GLU A 1 20  ? 9.776   2.185   2.562   1.00 41.04 20  A 1 
ATOM 157 C CB  . GLU A 1 20  ? 11.527  3.832   4.277   1.00 42.10 20  A 1 
ATOM 158 C CG  . GLU A 1 20  ? 12.131  4.696   5.394   1.00 38.45 20  A 1 
ATOM 159 C CD  . GLU A 1 20  ? 13.651  4.498   5.574   1.00 36.79 20  A 1 
ATOM 160 O OE1 . GLU A 1 20  ? 14.240  5.237   6.384   1.00 35.29 20  A 1 
ATOM 161 O OE2 . GLU A 1 20  ? 14.219  3.523   5.015   1.00 35.96 20  A 1 
ATOM 162 N N   . PRO A 1 21  ? 8.699   4.107   2.077   1.00 39.59 21  A 1 
ATOM 163 C CA  . PRO A 1 21  ? 8.144   3.644   0.802   1.00 39.90 21  A 1 
ATOM 164 C C   . PRO A 1 21  ? 9.213   3.117   -0.167  1.00 40.14 21  A 1 
ATOM 165 O O   . PRO A 1 21  ? 8.966   2.192   -0.937  1.00 39.19 21  A 1 
ATOM 166 C CB  . PRO A 1 21  ? 7.419   4.862   0.208   1.00 38.25 21  A 1 
ATOM 167 C CG  . PRO A 1 21  ? 7.108   5.744   1.409   1.00 36.95 21  A 1 
ATOM 168 C CD  . PRO A 1 21  ? 8.269   5.467   2.360   1.00 37.81 21  A 1 
ATOM 169 N N   . GLU A 1 22  ? 10.420  3.666   -0.093  1.00 39.97 22  A 1 
ATOM 170 C CA  . GLU A 1 22  ? 11.559  3.287   -0.934  1.00 41.05 22  A 1 
ATOM 171 C C   . GLU A 1 22  ? 12.017  1.838   -0.697  1.00 41.40 22  A 1 
ATOM 172 O O   . GLU A 1 22  ? 12.426  1.147   -1.636  1.00 40.26 22  A 1 
ATOM 173 C CB  . GLU A 1 22  ? 12.710  4.270   -0.683  1.00 40.48 22  A 1 
ATOM 174 C CG  . GLU A 1 22  ? 12.315  5.715   -1.043  1.00 36.50 22  A 1 
ATOM 175 C CD  . GLU A 1 22  ? 13.472  6.713   -0.895  1.00 34.32 22  A 1 
ATOM 176 O OE1 . GLU A 1 22  ? 13.252  7.880   -1.292  1.00 32.41 22  A 1 
ATOM 177 O OE2 . GLU A 1 22  ? 14.553  6.303   -0.411  1.00 32.85 22  A 1 
ATOM 178 N N   . ARG A 1 23  ? 11.857  1.316   0.532   1.00 39.17 23  A 1 
ATOM 179 C CA  . ARG A 1 23  ? 12.133  -0.099  0.835   1.00 40.31 23  A 1 
ATOM 180 C C   . ARG A 1 23  ? 11.078  -1.026  0.241   1.00 40.06 23  A 1 
ATOM 181 O O   . ARG A 1 23  ? 11.399  -2.158  -0.102  1.00 39.24 23  A 1 
ATOM 182 C CB  . ARG A 1 23  ? 12.268  -0.329  2.341   1.00 39.38 23  A 1 
ATOM 183 C CG  . ARG A 1 23  ? 13.511  0.359   2.917   1.00 36.25 23  A 1 
ATOM 184 C CD  . ARG A 1 23  ? 13.717  -0.082  4.369   1.00 34.67 23  A 1 
ATOM 185 N NE  . ARG A 1 23  ? 14.744  0.741   5.011   1.00 33.68 23  A 1 
ATOM 186 C CZ  . ARG A 1 23  ? 15.429  0.491   6.102   1.00 31.46 23  A 1 
ATOM 187 N NH1 . ARG A 1 23  ? 15.329  -0.634  6.762   1.00 31.31 23  A 1 
ATOM 188 N NH2 . ARG A 1 23  ? 16.227  1.410   6.554   1.00 30.79 23  A 1 
ATOM 189 N N   . PHE A 1 24  ? 9.843   -0.565  0.085   1.00 34.41 24  A 1 
ATOM 190 C CA  . PHE A 1 24  ? 8.774   -1.343  -0.545  1.00 34.88 24  A 1 
ATOM 191 C C   . PHE A 1 24  ? 9.068   -1.600  -2.031  1.00 34.32 24  A 1 
ATOM 192 O O   . PHE A 1 24  ? 8.901   -2.725  -2.511  1.00 33.48 24  A 1 
ATOM 193 C CB  . PHE A 1 24  ? 7.445   -0.614  -0.341  1.00 34.11 24  A 1 
ATOM 194 C CG  . PHE A 1 24  ? 6.234   -1.405  -0.781  1.00 32.53 24  A 1 
ATOM 195 C CD1 . PHE A 1 24  ? 5.650   -1.175  -2.040  1.00 31.18 24  A 1 
ATOM 196 C CD2 . PHE A 1 24  ? 5.677   -2.369  0.079   1.00 31.78 24  A 1 
ATOM 197 C CE1 . PHE A 1 24  ? 4.512   -1.897  -2.431  1.00 30.16 24  A 1 
ATOM 198 C CE2 . PHE A 1 24  ? 4.540   -3.095  -0.313  1.00 30.37 24  A 1 
ATOM 199 C CZ  . PHE A 1 24  ? 3.954   -2.857  -1.568  1.00 29.94 24  A 1 
ATOM 200 N N   . PHE A 1 25  ? 9.595   -0.608  -2.747  1.00 32.43 25  A 1 
ATOM 201 C CA  . PHE A 1 25  ? 9.966   -0.737  -4.159  1.00 32.72 25  A 1 
ATOM 202 C C   . PHE A 1 25  ? 11.224  -1.592  -4.373  1.00 32.76 25  A 1 
ATOM 203 O O   . PHE A 1 25  ? 11.278  -2.350  -5.345  1.00 31.66 25  A 1 
ATOM 204 C CB  . PHE A 1 25  ? 10.103  0.657   -4.779  1.00 31.43 25  A 1 
ATOM 205 C CG  . PHE A 1 25  ? 8.764   1.347   -4.995  1.00 29.54 25  A 1 
ATOM 206 C CD1 . PHE A 1 25  ? 7.919   0.927   -6.038  1.00 27.52 25  A 1 
ATOM 207 C CD2 . PHE A 1 25  ? 8.350   2.386   -4.143  1.00 27.80 25  A 1 
ATOM 208 C CE1 . PHE A 1 25  ? 6.665   1.536   -6.229  1.00 26.19 25  A 1 
ATOM 209 C CE2 . PHE A 1 25  ? 7.095   2.996   -4.330  1.00 26.11 25  A 1 
ATOM 210 C CZ  . PHE A 1 25  ? 6.253   2.569   -5.372  1.00 26.10 25  A 1 
ATOM 211 N N   . SER A 1 26  ? 12.190  -1.568  -3.451  1.00 34.42 26  A 1 
ATOM 212 C CA  . SER A 1 26  ? 13.366  -2.450  -3.539  1.00 34.72 26  A 1 
ATOM 213 C C   . SER A 1 26  ? 13.035  -3.928  -3.271  1.00 35.18 26  A 1 
ATOM 214 O O   . SER A 1 26  ? 13.698  -4.814  -3.806  1.00 33.58 26  A 1 
ATOM 215 C CB  . SER A 1 26  ? 14.490  -1.950  -2.625  1.00 32.79 26  A 1 
ATOM 216 O OG  . SER A 1 26  ? 14.104  -1.972  -1.268  1.00 29.98 26  A 1 
ATOM 217 N N   . TYR A 1 27  ? 11.963  -4.218  -2.519  1.00 33.10 27  A 1 
ATOM 218 C CA  . TYR A 1 27  ? 11.468  -5.586  -2.319  1.00 33.97 27  A 1 
ATOM 219 C C   . TYR A 1 27  ? 10.750  -6.173  -3.547  1.00 33.95 27  A 1 
ATOM 220 O O   . TYR A 1 27  ? 10.696  -7.401  -3.676  1.00 33.27 27  A 1 
ATOM 221 C CB  . TYR A 1 27  ? 10.577  -5.645  -1.067  1.00 33.04 27  A 1 
ATOM 222 C CG  . TYR A 1 27  ? 11.308  -6.139  0.170   1.00 30.92 27  A 1 
ATOM 223 C CD1 . TYR A 1 27  ? 11.380  -7.521  0.439   1.00 28.94 27  A 1 
ATOM 224 C CD2 . TYR A 1 27  ? 11.915  -5.229  1.054   1.00 29.49 27  A 1 
ATOM 225 C CE1 . TYR A 1 27  ? 12.056  -7.988  1.581   1.00 27.90 27  A 1 
ATOM 226 C CE2 . TYR A 1 27  ? 12.597  -5.689  2.197   1.00 28.09 27  A 1 
ATOM 227 C CZ  . TYR A 1 27  ? 12.667  -7.070  2.462   1.00 27.34 27  A 1 
ATOM 228 O OH  . TYR A 1 27  ? 13.324  -7.518  3.571   1.00 26.48 27  A 1 
ATOM 229 N N   . GLN A 1 28  ? 10.216  -5.340  -4.458  1.00 32.31 28  A 1 
ATOM 230 C CA  . GLN A 1 28  ? 9.544   -5.812  -5.681  1.00 32.90 28  A 1 
ATOM 231 C C   . GLN A 1 28  ? 10.496  -6.465  -6.699  1.00 32.80 28  A 1 
ATOM 232 O O   . GLN A 1 28  ? 10.040  -7.232  -7.545  1.00 31.53 28  A 1 
ATOM 233 C CB  . GLN A 1 28  ? 8.764   -4.671  -6.358  1.00 31.70 28  A 1 
ATOM 234 C CG  . GLN A 1 28  ? 7.445   -4.344  -5.638  1.00 29.48 28  A 1 
ATOM 235 C CD  . GLN A 1 28  ? 6.513   -3.468  -6.472  1.00 27.78 28  A 1 
ATOM 236 O OE1 . GLN A 1 28  ? 6.850   -2.949  -7.520  1.00 26.82 28  A 1 
ATOM 237 N NE2 . GLN A 1 28  ? 5.283   -3.278  -6.052  1.00 26.78 28  A 1 
ATOM 238 N N   . THR A 1 29  ? 11.803  -6.224  -6.616  1.00 32.73 29  A 1 
ATOM 239 C CA  . THR A 1 29  ? 12.783  -6.829  -7.539  1.00 33.37 29  A 1 
ATOM 240 C C   . THR A 1 29  ? 13.214  -8.247  -7.146  1.00 33.76 29  A 1 
ATOM 241 O O   . THR A 1 29  ? 13.947  -8.888  -7.899  1.00 32.23 29  A 1 
ATOM 242 C CB  . THR A 1 29  ? 13.993  -5.905  -7.737  1.00 31.17 29  A 1 
ATOM 243 O OG1 . THR A 1 29  ? 14.525  -5.499  -6.505  1.00 28.69 29  A 1 
ATOM 244 C CG2 . THR A 1 29  ? 13.610  -4.636  -8.501  1.00 28.39 29  A 1 
ATOM 245 N N   . TRP A 1 30  ? 12.750  -8.789  -6.005  1.00 32.61 30  A 1 
ATOM 246 C CA  . TRP A 1 30  ? 13.139  -10.109 -5.514  1.00 33.17 30  A 1 
ATOM 247 C C   . TRP A 1 30  ? 11.998  -11.139 -5.543  1.00 33.20 30  A 1 
ATOM 248 O O   . TRP A 1 30  ? 11.181  -11.234 -4.628  1.00 32.18 30  A 1 
ATOM 249 C CB  . TRP A 1 30  ? 13.852  -9.991  -4.154  1.00 31.58 30  A 1 
ATOM 250 C CG  . TRP A 1 30  ? 15.355  -10.016 -4.220  1.00 30.38 30  A 1 
ATOM 251 C CD1 . TRP A 1 30  ? 16.135  -9.253  -5.020  1.00 28.09 30  A 1 
ATOM 252 C CD2 . TRP A 1 30  ? 16.283  -10.862 -3.462  1.00 28.98 30  A 1 
ATOM 253 N NE1 . TRP A 1 30  ? 17.466  -9.568  -4.824  1.00 28.10 30  A 1 
ATOM 254 C CE2 . TRP A 1 30  ? 17.618  -10.553 -3.862  1.00 28.09 30  A 1 
ATOM 255 C CE3 . TRP A 1 30  ? 16.134  -11.857 -2.474  1.00 28.76 30  A 1 
ATOM 256 C CZ2 . TRP A 1 30  ? 18.741  -11.193 -3.323  1.00 26.63 30  A 1 
ATOM 257 C CZ3 . TRP A 1 30  ? 17.252  -12.503 -1.924  1.00 25.90 30  A 1 
ATOM 258 C CH2 . TRP A 1 30  ? 18.556  -12.174 -2.343  1.00 25.59 30  A 1 
ATOM 259 N N   . ASN A 1 31  ? 12.051  -11.984 -6.591  1.00 34.36 31  A 1 
ATOM 260 C CA  . ASN A 1 31  ? 11.544  -13.360 -6.697  1.00 36.38 31  A 1 
ATOM 261 C C   . ASN A 1 31  ? 10.021  -13.624 -6.634  1.00 36.46 31  A 1 
ATOM 262 O O   . ASN A 1 31  ? 9.345   -13.448 -5.625  1.00 35.16 31  A 1 
ATOM 263 C CB  . ASN A 1 31  ? 12.346  -14.283 -5.751  1.00 34.97 31  A 1 
ATOM 264 C CG  . ASN A 1 31  ? 13.458  -15.031 -6.472  1.00 31.99 31  A 1 
ATOM 265 O OD1 . ASN A 1 31  ? 13.297  -15.483 -7.587  1.00 30.20 31  A 1 
ATOM 266 N ND2 . ASN A 1 31  ? 14.601  -15.210 -5.860  1.00 30.05 31  A 1 
ATOM 267 N N   . SER A 1 32  ? 9.532   -14.238 -7.720  1.00 38.17 32  A 1 
ATOM 268 C CA  . SER A 1 32  ? 8.156   -14.690 -7.983  1.00 39.40 32  A 1 
ATOM 269 C C   . SER A 1 32  ? 7.521   -15.604 -6.916  1.00 40.32 32  A 1 
ATOM 270 O O   . SER A 1 32  ? 6.296   -15.707 -6.866  1.00 38.37 32  A 1 
ATOM 271 C CB  . SER A 1 32  ? 8.153   -15.419 -9.335  1.00 36.81 32  A 1 
ATOM 272 O OG  . SER A 1 32  ? 9.143   -16.438 -9.347  1.00 33.38 32  A 1 
ATOM 273 N N   . ARG A 1 33  ? 8.312   -16.238 -6.038  1.00 40.98 33  A 1 
ATOM 274 C CA  . ARG A 1 33  ? 7.775   -17.052 -4.923  1.00 42.29 33  A 1 
ATOM 275 C C   . ARG A 1 33  ? 7.217   -16.223 -3.759  1.00 43.14 33  A 1 
ATOM 276 O O   . ARG A 1 33  ? 6.343   -16.712 -3.056  1.00 41.82 33  A 1 
ATOM 277 C CB  . ARG A 1 33  ? 8.826   -18.054 -4.422  1.00 40.73 33  A 1 
ATOM 278 C CG  . ARG A 1 33  ? 8.951   -19.270 -5.357  1.00 36.98 33  A 1 
ATOM 279 C CD  . ARG A 1 33  ? 9.906   -20.311 -4.764  1.00 36.20 33  A 1 
ATOM 280 N NE  . ARG A 1 33  ? 10.097  -21.462 -5.674  1.00 33.88 33  A 1 
ATOM 281 C CZ  . ARG A 1 33  ? 10.908  -22.489 -5.480  1.00 32.04 33  A 1 
ATOM 282 N NH1 . ARG A 1 33  ? 11.636  -22.597 -4.405  1.00 30.88 33  A 1 
ATOM 283 N NH2 . ARG A 1 33  ? 11.006  -23.433 -6.372  1.00 30.14 33  A 1 
ATOM 284 N N   . LYS A 1 34  ? 7.663   -14.975 -3.590  1.00 40.55 34  A 1 
ATOM 285 C CA  . LYS A 1 34  ? 7.149   -14.055 -2.553  1.00 42.65 34  A 1 
ATOM 286 C C   . LYS A 1 34  ? 5.914   -13.257 -2.994  1.00 42.21 34  A 1 
ATOM 287 O O   . LYS A 1 34  ? 5.313   -12.571 -2.175  1.00 41.14 34  A 1 
ATOM 288 C CB  . LYS A 1 34  ? 8.266   -13.132 -2.055  1.00 42.01 34  A 1 
ATOM 289 C CG  . LYS A 1 34  ? 9.317   -13.881 -1.217  1.00 37.84 34  A 1 
ATOM 290 C CD  . LYS A 1 34  ? 10.320  -12.891 -0.613  1.00 37.07 34  A 1 
ATOM 291 C CE  . LYS A 1 34  ? 11.338  -13.615 0.271   1.00 34.69 34  A 1 
ATOM 292 N NZ  . LYS A 1 34  ? 12.293  -12.669 0.894   1.00 33.15 34  A 1 
ATOM 293 N N   . MET A 1 35  ? 5.498   -13.356 -4.263  1.00 39.22 35  A 1 
ATOM 294 C CA  . MET A 1 35  ? 4.268   -12.706 -4.754  1.00 39.51 35  A 1 
ATOM 295 C C   . MET A 1 35  ? 2.994   -13.252 -4.101  1.00 40.43 35  A 1 
ATOM 296 O O   . MET A 1 35  ? 2.014   -12.521 -4.000  1.00 39.65 35  A 1 
ATOM 297 C CB  . MET A 1 35  ? 4.137   -12.841 -6.278  1.00 37.46 35  A 1 
ATOM 298 C CG  . MET A 1 35  ? 4.824   -11.699 -7.031  1.00 33.38 35  A 1 
ATOM 299 S SD  . MET A 1 35  ? 4.207   -11.534 -8.723  1.00 31.60 35  A 1 
ATOM 300 C CE  . MET A 1 35  ? 5.053   -10.019 -9.228  1.00 30.03 35  A 1 
ATOM 301 N N   . HIS A 1 36  ? 2.992   -14.516 -3.642  1.00 42.16 36  A 1 
ATOM 302 C CA  . HIS A 1 36  ? 1.841   -15.091 -2.942  1.00 43.77 36  A 1 
ATOM 303 C C   . HIS A 1 36  ? 1.625   -14.422 -1.574  1.00 44.46 36  A 1 
ATOM 304 O O   . HIS A 1 36  ? 0.499   -14.046 -1.242  1.00 43.39 36  A 1 
ATOM 305 C CB  . HIS A 1 36  ? 2.027   -16.610 -2.827  1.00 42.56 36  A 1 
ATOM 306 C CG  . HIS A 1 36  ? 0.747   -17.310 -2.445  1.00 38.71 36  A 1 
ATOM 307 N ND1 . HIS A 1 36  ? 0.127   -17.275 -1.223  1.00 35.84 36  A 1 
ATOM 308 C CD2 . HIS A 1 36  ? -0.041  -18.068 -3.272  1.00 35.94 36  A 1 
ATOM 309 C CE1 . HIS A 1 36  ? -1.012  -17.981 -1.306  1.00 34.80 36  A 1 
ATOM 310 N NE2 . HIS A 1 36  ? -1.159  -18.487 -2.539  1.00 35.62 36  A 1 
ATOM 311 N N   . ASP A 1 37  ? 2.714   -14.183 -0.835  1.00 41.89 37  A 1 
ATOM 312 C CA  . ASP A 1 37  ? 2.658   -13.452 0.435   1.00 43.62 37  A 1 
ATOM 313 C C   . ASP A 1 37  ? 2.282   -11.983 0.203   1.00 43.99 37  A 1 
ATOM 314 O O   . ASP A 1 37  ? 1.425   -11.443 0.897   1.00 43.34 37  A 1 
ATOM 315 C CB  . ASP A 1 37  ? 4.006   -13.565 1.163   1.00 43.15 37  A 1 
ATOM 316 C CG  . ASP A 1 37  ? 4.345   -14.994 1.596   1.00 38.94 37  A 1 
ATOM 317 O OD1 . ASP A 1 37  ? 3.401   -15.784 1.811   1.00 36.93 37  A 1 
ATOM 318 O OD2 . ASP A 1 37  ? 5.560   -15.281 1.685   1.00 36.93 37  A 1 
ATOM 319 N N   . LEU A 1 38  ? 2.841   -11.356 -0.839  1.00 41.37 38  A 1 
ATOM 320 C CA  . LEU A 1 38  ? 2.500   -9.983  -1.218  1.00 41.66 38  A 1 
ATOM 321 C C   . LEU A 1 38  ? 1.009   -9.827  -1.564  1.00 41.74 38  A 1 
ATOM 322 O O   . LEU A 1 38  ? 0.402   -8.832  -1.181  1.00 40.76 38  A 1 
ATOM 323 C CB  . LEU A 1 38  ? 3.391   -9.545  -2.397  1.00 40.08 38  A 1 
ATOM 324 C CG  . LEU A 1 38  ? 3.464   -8.018  -2.564  1.00 37.16 38  A 1 
ATOM 325 C CD1 . LEU A 1 38  ? 4.478   -7.407  -1.595  1.00 34.42 38  A 1 
ATOM 326 C CD2 . LEU A 1 38  ? 3.881   -7.654  -3.985  1.00 35.49 38  A 1 
ATOM 327 N N   . ASN A 1 39  ? 0.397   -10.814 -2.229  1.00 40.08 39  A 1 
ATOM 328 C CA  . ASN A 1 39  ? -1.046  -10.821 -2.491  1.00 41.20 39  A 1 
ATOM 329 C C   . ASN A 1 39  ? -1.864  -10.903 -1.199  1.00 40.94 39  A 1 
ATOM 330 O O   . ASN A 1 39  ? -2.848  -10.180 -1.064  1.00 40.19 39  A 1 
ATOM 331 C CB  . ASN A 1 39  ? -1.410  -11.968 -3.454  1.00 40.13 39  A 1 
ATOM 332 C CG  . ASN A 1 39  ? -1.613  -11.529 -4.894  1.00 36.65 39  A 1 
ATOM 333 O OD1 . ASN A 1 39  ? -1.774  -10.368 -5.229  1.00 34.93 39  A 1 
ATOM 334 N ND2 . ASN A 1 39  ? -1.657  -12.465 -5.812  1.00 34.66 39  A 1 
ATOM 335 N N   . CYS A 1 40  ? -1.446  -11.712 -0.222  1.00 37.25 40  A 1 
ATOM 336 C CA  . CYS A 1 40  ? -2.098  -11.754 1.091   1.00 37.75 40  A 1 
ATOM 337 C C   . CYS A 1 40  ? -1.985  -10.407 1.827   1.00 38.58 40  A 1 
ATOM 338 O O   . CYS A 1 40  ? -2.966  -9.933  2.394   1.00 36.91 40  A 1 
ATOM 339 C CB  . CYS A 1 40  ? -1.501  -12.901 1.919   1.00 35.07 40  A 1 
ATOM 340 S SG  . CYS A 1 40  ? -2.068  -14.492 1.249   1.00 30.96 40  A 1 
ATOM 341 N N   . TYR A 1 41  ? -0.817  -9.746  1.764   1.00 39.91 41  A 1 
ATOM 342 C CA  . TYR A 1 41  ? -0.631  -8.406  2.333   1.00 41.04 41  A 1 
ATOM 343 C C   . TYR A 1 41  ? -1.456  -7.336  1.607   1.00 41.17 41  A 1 
ATOM 344 O O   . TYR A 1 41  ? -2.065  -6.491  2.264   1.00 40.33 41  A 1 
ATOM 345 C CB  . TYR A 1 41  ? 0.859   -8.033  2.342   1.00 39.60 41  A 1 
ATOM 346 C CG  . TYR A 1 41  ? 1.630   -8.640  3.499   1.00 36.81 41  A 1 
ATOM 347 C CD1 . TYR A 1 41  ? 1.433   -8.144  4.801   1.00 34.68 41  A 1 
ATOM 348 C CD2 . TYR A 1 41  ? 2.521   -9.711  3.289   1.00 34.85 41  A 1 
ATOM 349 C CE1 . TYR A 1 41  ? 2.103   -8.729  5.891   1.00 32.88 41  A 1 
ATOM 350 C CE2 . TYR A 1 41  ? 3.193   -10.303 4.378   1.00 33.34 41  A 1 
ATOM 351 C CZ  . TYR A 1 41  ? 2.977   -9.816  5.682   1.00 32.56 41  A 1 
ATOM 352 O OH  . TYR A 1 41  ? 3.605   -10.400 6.737   1.00 31.45 41  A 1 
ATOM 353 N N   . LEU A 1 42  ? -1.545  -7.378  0.272   1.00 40.90 42  A 1 
ATOM 354 C CA  . LEU A 1 42  ? -2.337  -6.448  -0.542  1.00 41.51 42  A 1 
ATOM 355 C C   . LEU A 1 42  ? -3.847  -6.640  -0.361  1.00 41.25 42  A 1 
ATOM 356 O O   . LEU A 1 42  ? -4.590  -5.668  -0.463  1.00 39.83 42  A 1 
ATOM 357 C CB  . LEU A 1 42  ? -1.944  -6.607  -2.024  1.00 39.65 42  A 1 
ATOM 358 C CG  . LEU A 1 42  ? -0.595  -5.962  -2.392  1.00 37.23 42  A 1 
ATOM 359 C CD1 . LEU A 1 42  ? -0.150  -6.451  -3.771  1.00 35.13 42  A 1 
ATOM 360 C CD2 . LEU A 1 42  ? -0.682  -4.439  -2.437  1.00 35.92 42  A 1 
ATOM 361 N N   . HIS A 1 43  ? -4.310  -7.857  -0.051  1.00 40.44 43  A 1 
ATOM 362 C CA  . HIS A 1 43  ? -5.707  -8.112  0.314   1.00 42.04 43  A 1 
ATOM 363 C C   . HIS A 1 43  ? -6.052  -7.662  1.743   1.00 41.55 43  A 1 
ATOM 364 O O   . HIS A 1 43  ? -7.177  -7.231  1.987   1.00 40.07 43  A 1 
ATOM 365 C CB  . HIS A 1 43  ? -6.036  -9.599  0.101   1.00 40.67 43  A 1 
ATOM 366 C CG  . HIS A 1 43  ? -6.479  -9.896  -1.313  1.00 37.79 43  A 1 
ATOM 367 N ND1 . HIS A 1 43  ? -7.683  -9.512  -1.866  1.00 35.33 43  A 1 
ATOM 368 C CD2 . HIS A 1 43  ? -5.800  -10.589 -2.276  1.00 35.82 43  A 1 
ATOM 369 C CE1 . HIS A 1 43  ? -7.722  -9.963  -3.132  1.00 34.70 43  A 1 
ATOM 370 N NE2 . HIS A 1 43  ? -6.596  -10.627 -3.432  1.00 34.96 43  A 1 
ATOM 371 N N   . ALA A 1 44  ? -5.104  -7.730  2.676   1.00 41.57 44  A 1 
ATOM 372 C CA  . ALA A 1 44  ? -5.308  -7.293  4.062   1.00 42.03 44  A 1 
ATOM 373 C C   . ALA A 1 44  ? -5.147  -5.768  4.248   1.00 42.41 44  A 1 
ATOM 374 O O   . ALA A 1 44  ? -5.830  -5.171  5.083   1.00 40.22 44  A 1 
ATOM 375 C CB  . ALA A 1 44  ? -4.341  -8.083  4.951   1.00 39.55 44  A 1 
ATOM 376 N N   . MET A 1 45  ? -4.283  -5.127  3.459   1.00 40.32 45  A 1 
ATOM 377 C CA  . MET A 1 45  ? -4.018  -3.682  3.542   1.00 41.16 45  A 1 
ATOM 378 C C   . MET A 1 45  ? -5.257  -2.795  3.363   1.00 41.42 45  A 1 
ATOM 379 O O   . MET A 1 45  ? -5.416  -1.894  4.177   1.00 40.03 45  A 1 
ATOM 380 C CB  . MET A 1 45  ? -2.917  -3.251  2.555   1.00 39.62 45  A 1 
ATOM 381 C CG  . MET A 1 45  ? -1.518  -3.362  3.165   1.00 36.34 45  A 1 
ATOM 382 S SD  . MET A 1 45  ? -0.439  -2.001  2.668   1.00 34.65 45  A 1 
ATOM 383 C CE  . MET A 1 45  ? 1.000   -2.345  3.709   1.00 33.17 45  A 1 
ATOM 384 N N   . PRO A 1 46  ? -6.155  -3.006  2.387   1.00 42.29 46  A 1 
ATOM 385 C CA  . PRO A 1 46  ? -7.322  -2.137  2.217   1.00 42.79 46  A 1 
ATOM 386 C C   . PRO A 1 46  ? -8.213  -2.112  3.460   1.00 43.07 46  A 1 
ATOM 387 O O   . PRO A 1 46  ? -8.719  -1.060  3.834   1.00 41.79 46  A 1 
ATOM 388 C CB  . PRO A 1 46  ? -8.080  -2.690  1.003   1.00 41.37 46  A 1 
ATOM 389 C CG  . PRO A 1 46  ? -7.008  -3.439  0.217   1.00 40.50 46  A 1 
ATOM 390 C CD  . PRO A 1 46  ? -6.093  -3.977  1.312   1.00 41.39 46  A 1 
ATOM 391 N N   . THR A 1 47  ? -8.365  -3.255  4.128   1.00 40.05 47  A 1 
ATOM 392 C CA  . THR A 1 47  ? -9.212  -3.388  5.319   1.00 41.05 47  A 1 
ATOM 393 C C   . THR A 1 47  ? -8.581  -2.707  6.535   1.00 41.57 47  A 1 
ATOM 394 O O   . THR A 1 47  ? -9.245  -1.933  7.218   1.00 40.19 47  A 1 
ATOM 395 C CB  . THR A 1 47  ? -9.496  -4.869  5.623   1.00 39.05 47  A 1 
ATOM 396 O OG1 . THR A 1 47  ? -9.826  -5.558  4.437   1.00 35.92 47  A 1 
ATOM 397 C CG2 . THR A 1 47  ? -10.673 -5.039  6.580   1.00 35.36 47  A 1 
ATOM 398 N N   . VAL A 1 48  ? -7.293  -2.937  6.771   1.00 40.55 48  A 1 
ATOM 399 C CA  . VAL A 1 48  ? -6.551  -2.311  7.883   1.00 41.89 48  A 1 
ATOM 400 C C   . VAL A 1 48  ? -6.444  -0.798  7.680   1.00 42.62 48  A 1 
ATOM 401 O O   . VAL A 1 48  ? -6.671  -0.031  8.611   1.00 41.02 48  A 1 
ATOM 402 C CB  . VAL A 1 48  ? -5.160  -2.958  8.034   1.00 40.08 48  A 1 
ATOM 403 C CG1 . VAL A 1 48  ? -4.319  -2.281  9.124   1.00 36.30 48  A 1 
ATOM 404 C CG2 . VAL A 1 48  ? -5.290  -4.442  8.410   1.00 35.70 48  A 1 
ATOM 405 N N   . PHE A 1 49  ? -6.176  -0.358  6.454   1.00 43.20 49  A 1 
ATOM 406 C CA  . PHE A 1 49  ? -6.091  1.055   6.105   1.00 44.57 49  A 1 
ATOM 407 C C   . PHE A 1 49  ? -7.456  1.750   6.202   1.00 44.03 49  A 1 
ATOM 408 O O   . PHE A 1 49  ? -7.543  2.848   6.743   1.00 43.60 49  A 1 
ATOM 409 C CB  . PHE A 1 49  ? -5.483  1.183   4.705   1.00 43.91 49  A 1 
ATOM 410 C CG  . PHE A 1 49  ? -5.025  2.585   4.379   1.00 41.46 49  A 1 
ATOM 411 C CD1 . PHE A 1 49  ? -5.889  3.488   3.746   1.00 39.62 49  A 1 
ATOM 412 C CD2 . PHE A 1 49  ? -3.725  2.987   4.739   1.00 40.40 49  A 1 
ATOM 413 C CE1 . PHE A 1 49  ? -5.454  4.800   3.483   1.00 37.85 49  A 1 
ATOM 414 C CE2 . PHE A 1 49  ? -3.291  4.295   4.474   1.00 38.17 49  A 1 
ATOM 415 C CZ  . PHE A 1 49  ? -4.159  5.203   3.847   1.00 37.79 49  A 1 
ATOM 416 N N   . ALA A 1 50  ? -8.546  1.101   5.764   1.00 44.41 50  A 1 
ATOM 417 C CA  . ALA A 1 50  ? -9.901  1.632   5.911   1.00 44.50 50  A 1 
ATOM 418 C C   . ALA A 1 50  ? -10.301 1.773   7.390   1.00 44.58 50  A 1 
ATOM 419 O O   . ALA A 1 50  ? -10.830 2.812   7.775   1.00 42.89 50  A 1 
ATOM 420 C CB  . ALA A 1 50  ? -10.886 0.736   5.147   1.00 42.80 50  A 1 
ATOM 421 N N   . MET A 1 51  ? -10.002 0.772   8.225   1.00 42.30 51  A 1 
ATOM 422 C CA  . MET A 1 51  ? -10.274 0.838   9.668   1.00 43.14 51  A 1 
ATOM 423 C C   . MET A 1 51  ? -9.476  1.955   10.347  1.00 44.21 51  A 1 
ATOM 424 O O   . MET A 1 51  ? -10.049 2.741   11.100  1.00 43.00 51  A 1 
ATOM 425 C CB  . MET A 1 51  ? -9.980  -0.510  10.341  1.00 41.36 51  A 1 
ATOM 426 C CG  . MET A 1 51  ? -11.045 -1.559  10.009  1.00 36.21 51  A 1 
ATOM 427 S SD  . MET A 1 51  ? -10.802 -3.157  10.836  1.00 33.31 51  A 1 
ATOM 428 C CE  . MET A 1 51  ? -11.455 -2.769  12.486  1.00 31.49 51  A 1 
ATOM 429 N N   . TRP A 1 52  ? -8.181  2.086   10.045  1.00 43.54 52  A 1 
ATOM 430 C CA  . TRP A 1 52  ? -7.340  3.158   10.585  1.00 44.09 52  A 1 
ATOM 431 C C   . TRP A 1 52  ? -7.842  4.546   10.154  1.00 43.91 52  A 1 
ATOM 432 O O   . TRP A 1 52  ? -7.973  5.453   10.974  1.00 43.36 52  A 1 
ATOM 433 C CB  . TRP A 1 52  ? -5.895  2.919   10.149  1.00 43.05 52  A 1 
ATOM 434 C CG  . TRP A 1 52  ? -4.916  3.882   10.747  1.00 40.96 52  A 1 
ATOM 435 C CD1 . TRP A 1 52  ? -4.298  3.736   11.940  1.00 37.58 52  A 1 
ATOM 436 C CD2 . TRP A 1 52  ? -4.468  5.176   10.223  1.00 39.24 52  A 1 
ATOM 437 N NE1 . TRP A 1 52  ? -3.506  4.835   12.196  1.00 36.94 52  A 1 
ATOM 438 C CE2 . TRP A 1 52  ? -3.578  5.760   11.173  1.00 38.16 52  A 1 
ATOM 439 C CE3 . TRP A 1 52  ? -4.734  5.916   9.052   1.00 38.61 52  A 1 
ATOM 440 C CZ2 . TRP A 1 52  ? -2.985  7.016   10.972  1.00 37.71 52  A 1 
ATOM 441 C CZ3 . TRP A 1 52  ? -4.143  7.181   8.841   1.00 35.97 52  A 1 
ATOM 442 C CH2 . TRP A 1 52  ? -3.270  7.727   9.801   1.00 35.72 52  A 1 
ATOM 443 N N   . THR A 1 53  ? -8.216  4.690   8.883   1.00 44.82 53  A 1 
ATOM 444 C CA  . THR A 1 53  ? -8.770  5.928   8.322   1.00 45.42 53  A 1 
ATOM 445 C C   . THR A 1 53  ? -10.063 6.332   9.038   1.00 44.83 53  A 1 
ATOM 446 O O   . THR A 1 53  ? -10.229 7.496   9.394   1.00 43.61 53  A 1 
ATOM 447 C CB  . THR A 1 53  ? -9.014  5.764   6.811   1.00 43.74 53  A 1 
ATOM 448 O OG1 . THR A 1 53  ? -7.819  5.430   6.143   1.00 40.59 53  A 1 
ATOM 449 C CG2 . THR A 1 53  ? -9.511  7.027   6.127   1.00 39.98 53  A 1 
ATOM 450 N N   . MET A 1 54  ? -10.963 5.379   9.303   1.00 42.24 54  A 1 
ATOM 451 C CA  . MET A 1 54  ? -12.219 5.638   10.020  1.00 42.74 54  A 1 
ATOM 452 C C   . MET A 1 54  ? -12.019 6.043   11.488  1.00 42.64 54  A 1 
ATOM 453 O O   . MET A 1 54  ? -12.834 6.786   12.019  1.00 41.18 54  A 1 
ATOM 454 C CB  . MET A 1 54  ? -13.138 4.411   9.940   1.00 41.07 54  A 1 
ATOM 455 C CG  . MET A 1 54  ? -13.756 4.237   8.548   1.00 37.10 54  A 1 
ATOM 456 S SD  . MET A 1 54  ? -14.911 2.841   8.442   1.00 35.03 54  A 1 
ATOM 457 C CE  . MET A 1 54  ? -15.384 2.980   6.700   1.00 33.31 54  A 1 
ATOM 458 N N   . CYS A 1 55  ? -10.949 5.574   12.132  1.00 40.91 55  A 1 
ATOM 459 C CA  . CYS A 1 55  ? -10.685 5.870   13.540  1.00 41.26 55  A 1 
ATOM 460 C C   . CYS A 1 55  ? -9.922  7.190   13.768  1.00 41.50 55  A 1 
ATOM 461 O O   . CYS A 1 55  ? -10.057 7.771   14.838  1.00 39.28 55  A 1 
ATOM 462 C CB  . CYS A 1 55  ? -9.928  4.686   14.154  1.00 38.39 55  A 1 
ATOM 463 S SG  . CYS A 1 55  ? -11.017 3.227   14.253  1.00 34.22 55  A 1 
ATOM 464 N N   . HIS A 1 56  ? -9.123  7.649   12.800  1.00 42.16 56  A 1 
ATOM 465 C CA  . HIS A 1 56  ? -8.148  8.724   13.035  1.00 44.23 56  A 1 
ATOM 466 C C   . HIS A 1 56  ? -8.284  9.954   12.127  1.00 44.08 56  A 1 
ATOM 467 O O   . HIS A 1 56  ? -7.639  10.963  12.393  1.00 42.52 56  A 1 
ATOM 468 C CB  . HIS A 1 56  ? -6.738  8.130   12.975  1.00 41.93 56  A 1 
ATOM 469 C CG  . HIS A 1 56  ? -6.484  7.138   14.083  1.00 38.60 56  A 1 
ATOM 470 N ND1 . HIS A 1 56  ? -6.289  7.446   15.412  1.00 36.17 56  A 1 
ATOM 471 C CD2 . HIS A 1 56  ? -6.450  5.775   13.979  1.00 36.62 56  A 1 
ATOM 472 C CE1 . HIS A 1 56  ? -6.140  6.293   16.088  1.00 35.64 56  A 1 
ATOM 473 N NE2 . HIS A 1 56  ? -6.238  5.245   15.255  1.00 35.78 56  A 1 
ATOM 474 N N   . LEU A 1 57  ? -9.111  9.907   11.066  1.00 43.72 57  A 1 
ATOM 475 C CA  . LEU A 1 57  ? -9.282  11.056  10.171  1.00 45.27 57  A 1 
ATOM 476 C C   . LEU A 1 57  ? -10.634 11.768  10.359  1.00 44.75 57  A 1 
ATOM 477 O O   . LEU A 1 57  ? -11.642 11.129  10.649  1.00 43.28 57  A 1 
ATOM 478 C CB  . LEU A 1 57  ? -9.044  10.645  8.712   1.00 43.33 57  A 1 
ATOM 479 C CG  . LEU A 1 57  ? -7.591  10.251  8.394   1.00 40.84 57  A 1 
ATOM 480 C CD1 . LEU A 1 57  ? -7.493  9.771   6.950   1.00 39.15 57  A 1 
ATOM 481 C CD2 . LEU A 1 57  ? -6.623  11.427  8.540   1.00 39.97 57  A 1 
ATOM 482 N N   . PRO A 1 58  ? -10.695 13.093  10.147  1.00 46.55 58  A 1 
ATOM 483 C CA  . PRO A 1 58  ? -11.944 13.848  10.110  1.00 46.90 58  A 1 
ATOM 484 C C   . PRO A 1 58  ? -12.909 13.313  9.040   1.00 47.12 58  A 1 
ATOM 485 O O   . PRO A 1 58  ? -12.493 12.935  7.943   1.00 45.41 58  A 1 
ATOM 486 C CB  . PRO A 1 58  ? -11.551 15.307  9.829   1.00 44.29 58  A 1 
ATOM 487 C CG  . PRO A 1 58  ? -10.095 15.397  10.277  1.00 42.70 58  A 1 
ATOM 488 C CD  . PRO A 1 58  ? -9.556  13.997  9.999   1.00 45.84 58  A 1 
ATOM 489 N N   . TRP A 1 59  ? -14.218 13.357  9.335   1.00 42.62 59  A 1 
ATOM 490 C CA  . TRP A 1 59  ? -15.280 12.788  8.491   1.00 42.97 59  A 1 
ATOM 491 C C   . TRP A 1 59  ? -15.250 13.272  7.030   1.00 43.33 59  A 1 
ATOM 492 O O   . TRP A 1 59  ? -15.528 12.500  6.106   1.00 42.77 59  A 1 
ATOM 493 C CB  . TRP A 1 59  ? -16.627 13.131  9.134   1.00 41.33 59  A 1 
ATOM 494 C CG  . TRP A 1 59  ? -17.817 12.602  8.408   1.00 39.26 59  A 1 
ATOM 495 C CD1 . TRP A 1 59  ? -18.728 13.340  7.727   1.00 35.70 59  A 1 
ATOM 496 C CD2 . TRP A 1 59  ? -18.242 11.213  8.258   1.00 36.84 59  A 1 
ATOM 497 N NE1 . TRP A 1 59  ? -19.685 12.511  7.178   1.00 34.76 59  A 1 
ATOM 498 C CE2 . TRP A 1 59  ? -19.434 11.183  7.475   1.00 35.42 59  A 1 
ATOM 499 C CE3 . TRP A 1 59  ? -17.740 9.972   8.709   1.00 36.63 59  A 1 
ATOM 500 C CZ2 . TRP A 1 59  ? -20.096 9.987   7.157   1.00 34.97 59  A 1 
ATOM 501 C CZ3 . TRP A 1 59  ? -18.395 8.767   8.392   1.00 33.82 59  A 1 
ATOM 502 C CH2 . TRP A 1 59  ? -19.570 8.773   7.621   1.00 33.07 59  A 1 
ATOM 503 N N   . GLU A 1 60  ? -14.877 14.526  6.795   1.00 45.97 60  A 1 
ATOM 504 C CA  . GLU A 1 60  ? -14.768 15.116  5.451   1.00 47.31 60  A 1 
ATOM 505 C C   . GLU A 1 60  ? -13.667 14.457  4.607   1.00 47.02 60  A 1 
ATOM 506 O O   . GLU A 1 60  ? -13.840 14.235  3.408   1.00 45.86 60  A 1 
ATOM 507 C CB  . GLU A 1 60  ? -14.491 16.618  5.593   1.00 46.97 60  A 1 
ATOM 508 C CG  . GLU A 1 60  ? -15.682 17.348  6.241   1.00 42.39 60  A 1 
ATOM 509 C CD  . GLU A 1 60  ? -15.446 18.856  6.402   1.00 40.27 60  A 1 
ATOM 510 O OE1 . GLU A 1 60  ? -16.460 19.553  6.637   1.00 37.81 60  A 1 
ATOM 511 O OE2 . GLU A 1 60  ? -14.276 19.284  6.300   1.00 38.86 60  A 1 
ATOM 512 N N   . ILE A 1 61  ? -12.560 14.080  5.250   1.00 44.32 61  A 1 
ATOM 513 C CA  . ILE A 1 61  ? -11.456 13.368  4.606   1.00 45.01 61  A 1 
ATOM 514 C C   . ILE A 1 61  ? -11.875 11.921  4.342   1.00 44.41 61  A 1 
ATOM 515 O O   . ILE A 1 61  ? -11.705 11.436  3.223   1.00 43.21 61  A 1 
ATOM 516 C CB  . ILE A 1 61  ? -10.165 13.488  5.450   1.00 43.21 61  A 1 
ATOM 517 C CG1 . ILE A 1 61  ? -9.766  14.979  5.587   1.00 39.68 61  A 1 
ATOM 518 C CG2 . ILE A 1 61  ? -9.027  12.674  4.814   1.00 39.46 61  A 1 
ATOM 519 C CD1 . ILE A 1 61  ? -8.496  15.230  6.409   1.00 38.19 61  A 1 
ATOM 520 N N   . ILE A 1 62  ? -12.515 11.261  5.311   1.00 43.20 62  A 1 
ATOM 521 C CA  . ILE A 1 62  ? -13.043 9.896   5.160   1.00 43.89 62  A 1 
ATOM 522 C C   . ILE A 1 62  ? -13.992 9.813   3.961   1.00 43.51 62  A 1 
ATOM 523 O O   . ILE A 1 62  ? -13.847 8.914   3.135   1.00 42.65 62  A 1 
ATOM 524 C CB  . ILE A 1 62  ? -13.734 9.426   6.461   1.00 42.88 62  A 1 
ATOM 525 C CG1 . ILE A 1 62  ? -12.718 9.386   7.624   1.00 40.63 62  A 1 
ATOM 526 C CG2 . ILE A 1 62  ? -14.389 8.044   6.270   1.00 40.47 62  A 1 
ATOM 527 C CD1 . ILE A 1 62  ? -13.344 9.106   8.994   1.00 39.71 62  A 1 
ATOM 528 N N   . ARG A 1 63  ? -14.905 10.776  3.797   1.00 46.95 63  A 1 
ATOM 529 C CA  . ARG A 1 63  ? -15.881 10.788  2.697   1.00 47.42 63  A 1 
ATOM 530 C C   . ARG A 1 63  ? -15.219 10.841  1.315   1.00 47.31 63  A 1 
ATOM 531 O O   . ARG A 1 63  ? -15.665 10.145  0.405   1.00 45.93 63  A 1 
ATOM 532 C CB  . ARG A 1 63  ? -16.849 11.961  2.914   1.00 46.22 63  A 1 
ATOM 533 C CG  . ARG A 1 63  ? -18.049 11.896  1.959   1.00 43.00 63  A 1 
ATOM 534 C CD  . ARG A 1 63  ? -19.005 13.059  2.245   1.00 41.70 63  A 1 
ATOM 535 N NE  . ARG A 1 63  ? -20.182 13.015  1.358   1.00 40.24 63  A 1 
ATOM 536 C CZ  . ARG A 1 63  ? -21.178 13.884  1.341   1.00 36.67 63  A 1 
ATOM 537 N NH1 . ARG A 1 63  ? -21.207 14.911  2.144   1.00 36.13 63  A 1 
ATOM 538 N NH2 . ARG A 1 63  ? -22.172 13.732  0.511   1.00 34.98 63  A 1 
ATOM 539 N N   . ASN A 1 64  ? -14.155 11.624  1.173   1.00 45.64 64  A 1 
ATOM 540 C CA  . ASN A 1 64  ? -13.372 11.648  -0.067  1.00 46.41 64  A 1 
ATOM 541 C C   . ASN A 1 64  ? -12.589 10.343  -0.264  1.00 46.05 64  A 1 
ATOM 542 O O   . ASN A 1 64  ? -12.548 9.805   -1.370  1.00 44.49 64  A 1 
ATOM 543 C CB  . ASN A 1 64  ? -12.466 12.892  -0.061  1.00 44.43 64  A 1 
ATOM 544 C CG  . ASN A 1 64  ? -13.229 14.167  -0.378  1.00 40.67 64  A 1 
ATOM 545 O OD1 . ASN A 1 64  ? -14.272 14.163  -1.015  1.00 39.02 64  A 1 
ATOM 546 N ND2 . ASN A 1 64  ? -12.722 15.304  0.031   1.00 39.01 64  A 1 
ATOM 547 N N   . TRP A 1 65  ? -12.044 9.782   0.820   1.00 43.30 65  A 1 
ATOM 548 C CA  . TRP A 1 65  ? -11.322 8.513   0.786   1.00 43.45 65  A 1 
ATOM 549 C C   . TRP A 1 65  ? -12.217 7.311   0.490   1.00 42.40 65  A 1 
ATOM 550 O O   . TRP A 1 65  ? -11.757 6.393   -0.183  1.00 41.37 65  A 1 
ATOM 551 C CB  . TRP A 1 65  ? -10.544 8.325   2.088   1.00 41.68 65  A 1 
ATOM 552 C CG  . TRP A 1 65  ? -9.181  8.942   2.053   1.00 41.14 65  A 1 
ATOM 553 C CD1 . TRP A 1 65  ? -8.881  10.226  2.341   1.00 38.08 65  A 1 
ATOM 554 C CD2 . TRP A 1 65  ? -7.919  8.306   1.675   1.00 38.87 65  A 1 
ATOM 555 N NE1 . TRP A 1 65  ? -7.523  10.436  2.173   1.00 37.04 65  A 1 
ATOM 556 C CE2 . TRP A 1 65  ? -6.880  9.283   1.768   1.00 37.18 65  A 1 
ATOM 557 C CE3 . TRP A 1 65  ? -7.552  7.009   1.273   1.00 37.26 65  A 1 
ATOM 558 C CZ2 . TRP A 1 65  ? -5.541  8.986   1.482   1.00 35.47 65  A 1 
ATOM 559 C CZ3 . TRP A 1 65  ? -6.213  6.700   0.981   1.00 34.55 65  A 1 
ATOM 560 C CH2 . TRP A 1 65  ? -5.206  7.683   1.086   1.00 34.18 65  A 1 
ATOM 561 N N   . THR A 1 66  ? -13.490 7.312   0.889   1.00 42.28 66  A 1 
ATOM 562 C CA  . THR A 1 66  ? -14.435 6.228   0.550   1.00 42.52 66  A 1 
ATOM 563 C C   . THR A 1 66  ? -14.633 6.099   -0.961  1.00 42.88 66  A 1 
ATOM 564 O O   . THR A 1 66  ? -14.722 4.986   -1.478  1.00 40.76 66  A 1 
ATOM 565 C CB  . THR A 1 66  ? -15.819 6.392   1.219   1.00 39.62 66  A 1 
ATOM 566 O OG1 . THR A 1 66  ? -15.809 7.252   2.327   1.00 36.67 66  A 1 
ATOM 567 C CG2 . THR A 1 66  ? -16.350 5.055   1.743   1.00 36.34 66  A 1 
ATOM 568 N N   . ASN A 1 67  ? -14.626 7.219   -1.689  1.00 41.83 67  A 1 
ATOM 569 C CA  . ASN A 1 67  ? -14.644 7.203   -3.156  1.00 43.14 67  A 1 
ATOM 570 C C   . ASN A 1 67  ? -13.348 6.599   -3.722  1.00 43.50 67  A 1 
ATOM 571 O O   . ASN A 1 67  ? -13.410 5.790   -4.644  1.00 42.22 67  A 1 
ATOM 572 C CB  . ASN A 1 67  ? -14.893 8.623   -3.689  1.00 41.33 67  A 1 
ATOM 573 C CG  . ASN A 1 67  ? -16.345 9.061   -3.578  1.00 37.46 67  A 1 
ATOM 574 O OD1 . ASN A 1 67  ? -17.272 8.272   -3.567  1.00 35.56 67  A 1 
ATOM 575 N ND2 . ASN A 1 67  ? -16.596 10.346  -3.541  1.00 35.44 67  A 1 
ATOM 576 N N   . TYR A 1 68  ? -12.192 6.926   -3.137  1.00 41.25 68  A 1 
ATOM 577 C CA  . TYR A 1 68  ? -10.910 6.346   -3.551  1.00 41.75 68  A 1 
ATOM 578 C C   . TYR A 1 68  ? -10.807 4.853   -3.229  1.00 41.51 68  A 1 
ATOM 579 O O   . TYR A 1 68  ? -10.358 4.088   -4.083  1.00 40.97 68  A 1 
ATOM 580 C CB  . TYR A 1 68  ? -9.745  7.122   -2.928  1.00 40.35 68  A 1 
ATOM 581 C CG  . TYR A 1 68  ? -9.470  8.444   -3.620  1.00 38.01 68  A 1 
ATOM 582 C CD1 . TYR A 1 68  ? -8.807  8.457   -4.866  1.00 35.81 68  A 1 
ATOM 583 C CD2 . TYR A 1 68  ? -9.872  9.656   -3.030  1.00 36.22 68  A 1 
ATOM 584 C CE1 . TYR A 1 68  ? -8.556  9.678   -5.523  1.00 33.58 68  A 1 
ATOM 585 C CE2 . TYR A 1 68  ? -9.626  10.880  -3.683  1.00 33.89 68  A 1 
ATOM 586 C CZ  . TYR A 1 68  ? -8.967  10.891  -4.932  1.00 33.58 68  A 1 
ATOM 587 O OH  . TYR A 1 68  ? -8.728  12.073  -5.566  1.00 32.78 68  A 1 
ATOM 588 N N   . THR A 1 69  ? -11.274 4.403   -2.059  1.00 41.33 69  A 1 
ATOM 589 C CA  . THR A 1 69  ? -11.303 2.969   -1.715  1.00 41.50 69  A 1 
ATOM 590 C C   . THR A 1 69  ? -12.270 2.198   -2.600  1.00 41.29 69  A 1 
ATOM 591 O O   . THR A 1 69  ? -11.958 1.080   -3.002  1.00 39.95 69  A 1 
ATOM 592 C CB  . THR A 1 69  ? -11.652 2.678   -0.236  1.00 39.40 69  A 1 
ATOM 593 O OG1 . THR A 1 69  ? -12.168 3.797   0.441   1.00 36.71 69  A 1 
ATOM 594 C CG2 . THR A 1 69  ? -10.436 2.215   0.552   1.00 36.08 69  A 1 
ATOM 595 N N   . TRP A 1 70  ? -13.401 2.788   -2.992  1.00 35.89 70  A 1 
ATOM 596 C CA  . TRP A 1 70  ? -14.339 2.175   -3.935  1.00 36.21 70  A 1 
ATOM 597 C C   . TRP A 1 70  ? -13.750 2.072   -5.353  1.00 36.67 70  A 1 
ATOM 598 O O   . TRP A 1 70  ? -13.895 1.033   -6.004  1.00 35.55 70  A 1 
ATOM 599 C CB  . TRP A 1 70  ? -15.643 2.970   -3.924  1.00 34.16 70  A 1 
ATOM 600 C CG  . TRP A 1 70  ? -16.766 2.315   -4.667  1.00 32.24 70  A 1 
ATOM 601 C CD1 . TRP A 1 70  ? -17.603 1.387   -4.150  1.00 29.17 70  A 1 
ATOM 602 C CD2 . TRP A 1 70  ? -17.214 2.541   -6.039  1.00 30.38 70  A 1 
ATOM 603 N NE1 . TRP A 1 70  ? -18.546 1.030   -5.093  1.00 28.57 70  A 1 
ATOM 604 C CE2 . TRP A 1 70  ? -18.372 1.726   -6.270  1.00 29.14 70  A 1 
ATOM 605 C CE3 . TRP A 1 70  ? -16.790 3.364   -7.095  1.00 30.08 70  A 1 
ATOM 606 C CZ2 . TRP A 1 70  ? -19.084 1.759   -7.478  1.00 28.12 70  A 1 
ATOM 607 C CZ3 . TRP A 1 70  ? -17.491 3.395   -8.322  1.00 27.75 70  A 1 
ATOM 608 C CH2 . TRP A 1 70  ? -18.643 2.603   -8.505  1.00 27.37 70  A 1 
ATOM 609 N N   . ILE A 1 71  ? -13.037 3.102   -5.814  1.00 38.63 71  A 1 
ATOM 610 C CA  . ILE A 1 71  ? -12.282 3.072   -7.080  1.00 39.09 71  A 1 
ATOM 611 C C   . ILE A 1 71  ? -11.185 2.003   -7.014  1.00 39.02 71  A 1 
ATOM 612 O O   . ILE A 1 71  ? -11.104 1.169   -7.914  1.00 37.88 71  A 1 
ATOM 613 C CB  . ILE A 1 71  ? -11.717 4.476   -7.412  1.00 37.61 71  A 1 
ATOM 614 C CG1 . ILE A 1 71  ? -12.870 5.439   -7.787  1.00 34.42 71  A 1 
ATOM 615 C CG2 . ILE A 1 71  ? -10.699 4.420   -8.572  1.00 33.81 71  A 1 
ATOM 616 C CD1 . ILE A 1 71  ? -12.471 6.919   -7.765  1.00 32.45 71  A 1 
ATOM 617 N N   . MET A 1 72  ? -10.402 1.967   -5.933  1.00 41.14 72  A 1 
ATOM 618 C CA  . MET A 1 72  ? -9.366  0.952   -5.708  1.00 41.52 72  A 1 
ATOM 619 C C   . MET A 1 72  ? -9.963  -0.461  -5.698  1.00 41.71 72  A 1 
ATOM 620 O O   . MET A 1 72  ? -9.410  -1.354  -6.331  1.00 41.18 72  A 1 
ATOM 621 C CB  . MET A 1 72  ? -8.632  1.238   -4.384  1.00 40.51 72  A 1 
ATOM 622 C CG  . MET A 1 72  ? -7.697  2.450   -4.476  1.00 36.68 72  A 1 
ATOM 623 S SD  . MET A 1 72  ? -6.113  2.141   -5.318  1.00 34.69 72  A 1 
ATOM 624 C CE  . MET A 1 72  ? -5.163  1.403   -3.965  1.00 33.22 72  A 1 
ATOM 625 N N   . HIS A 1 73  ? -11.124 -0.668  -5.071  1.00 39.75 73  A 1 
ATOM 626 C CA  . HIS A 1 73  ? -11.815 -1.961  -5.039  1.00 40.34 73  A 1 
ATOM 627 C C   . HIS A 1 73  ? -12.349 -2.380  -6.419  1.00 40.39 73  A 1 
ATOM 628 O O   . HIS A 1 73  ? -12.292 -3.554  -6.777  1.00 39.57 73  A 1 
ATOM 629 C CB  . HIS A 1 73  ? -12.927 -1.897  -3.984  1.00 39.20 73  A 1 
ATOM 630 C CG  . HIS A 1 73  ? -13.369 -3.260  -3.517  1.00 36.15 73  A 1 
ATOM 631 N ND1 . HIS A 1 73  ? -12.736 -4.026  -2.557  1.00 33.69 73  A 1 
ATOM 632 C CD2 . HIS A 1 73  ? -14.459 -3.966  -3.940  1.00 34.02 73  A 1 
ATOM 633 C CE1 . HIS A 1 73  ? -13.436 -5.169  -2.416  1.00 32.13 73  A 1 
ATOM 634 N NE2 . HIS A 1 73  ? -14.492 -5.176  -3.238  1.00 32.15 73  A 1 
ATOM 635 N N   . ARG A 1 74  ? -12.805 -1.427  -7.242  1.00 39.82 74  A 1 
ATOM 636 C CA  . ARG A 1 74  ? -13.193 -1.696  -8.641  1.00 40.39 74  A 1 
ATOM 637 C C   . ARG A 1 74  ? -11.998 -2.013  -9.539  1.00 39.84 74  A 1 
ATOM 638 O O   . ARG A 1 74  ? -12.116 -2.853  -10.422 1.00 38.37 74  A 1 
ATOM 639 C CB  . ARG A 1 74  ? -13.984 -0.513  -9.214  1.00 38.68 74  A 1 
ATOM 640 C CG  . ARG A 1 74  ? -15.471 -0.845  -9.344  1.00 34.99 74  A 1 
ATOM 641 C CD  . ARG A 1 74  ? -16.168 0.239   -10.163 1.00 33.54 74  A 1 
ATOM 642 N NE  . ARG A 1 74  ? -17.599 -0.058  -10.343 1.00 31.94 74  A 1 
ATOM 643 C CZ  . ARG A 1 74  ? -18.423 0.556   -11.175 1.00 29.93 74  A 1 
ATOM 644 N NH1 . ARG A 1 74  ? -18.027 1.517   -11.959 1.00 29.08 74  A 1 
ATOM 645 N NH2 . ARG A 1 74  ? -19.678 0.214   -11.230 1.00 28.47 74  A 1 
ATOM 646 N N   . VAL A 1 75  ? -10.872 -1.354  -9.320  1.00 38.30 75  A 1 
ATOM 647 C CA  . VAL A 1 75  ? -9.626  -1.599  -10.062 1.00 38.78 75  A 1 
ATOM 648 C C   . VAL A 1 75  ? -8.987  -2.925  -9.631  1.00 38.72 75  A 1 
ATOM 649 O O   . VAL A 1 75  ? -8.508  -3.666  -10.487 1.00 37.44 75  A 1 
ATOM 650 C CB  . VAL A 1 75  ? -8.674  -0.398  -9.926  1.00 37.13 75  A 1 
ATOM 651 C CG1 . VAL A 1 75  ? -7.317  -0.662  -10.587 1.00 34.18 75  A 1 
ATOM 652 C CG2 . VAL A 1 75  ? -9.264  0.848   -10.611 1.00 34.11 75  A 1 
ATOM 653 N N   . LEU A 1 76  ? -9.114  -3.312  -8.350  1.00 38.70 76  A 1 
ATOM 654 C CA  . LEU A 1 76  ? -8.732  -4.634  -7.813  1.00 39.91 76  A 1 
ATOM 655 C C   . LEU A 1 76  ? -9.364  -5.798  -8.581  1.00 39.44 76  A 1 
ATOM 656 O O   . LEU A 1 76  ? -8.765  -6.863  -8.698  1.00 38.29 76  A 1 
ATOM 657 C CB  . LEU A 1 76  ? -9.165  -4.726  -6.322  1.00 38.91 76  A 1 
ATOM 658 C CG  . LEU A 1 76  ? -8.048  -4.384  -5.326  1.00 36.52 76  A 1 
ATOM 659 C CD1 . LEU A 1 76  ? -8.558  -3.874  -3.980  1.00 34.50 76  A 1 
ATOM 660 C CD2 . LEU A 1 76  ? -7.177  -5.614  -5.057  1.00 35.15 76  A 1 
ATOM 661 N N   . THR A 1 77  ? -10.567 -5.603  -9.117  1.00 40.30 77  A 1 
ATOM 662 C CA  . THR A 1 77  ? -11.279 -6.634  -9.887  1.00 41.22 77  A 1 
ATOM 663 C C   . THR A 1 77  ? -10.918 -6.665  -11.381 1.00 41.11 77  A 1 
ATOM 664 O O   . THR A 1 77  ? -11.367 -7.567  -12.086 1.00 38.93 77  A 1 
ATOM 665 C CB  . THR A 1 77  ? -12.794 -6.532  -9.682  1.00 38.99 77  A 1 
ATOM 666 O OG1 . THR A 1 77  ? -13.307 -5.265  -10.000 1.00 35.93 77  A 1 
ATOM 667 C CG2 . THR A 1 77  ? -13.193 -6.824  -8.234  1.00 35.62 77  A 1 
ATOM 668 N N   . LYS A 1 78  ? -10.114 -5.711  -11.884 1.00 41.72 78  A 1 
ATOM 669 C CA  . LYS A 1 78  ? -9.724  -5.614  -13.298 1.00 42.39 78  A 1 
ATOM 670 C C   . LYS A 1 78  ? -8.210  -5.446  -13.460 1.00 41.48 78  A 1 
ATOM 671 O O   . LYS A 1 78  ? -7.686  -4.348  -13.405 1.00 39.98 78  A 1 
ATOM 672 C CB  . LYS A 1 78  ? -10.489 -4.472  -13.983 1.00 41.59 78  A 1 
ATOM 673 C CG  . LYS A 1 78  ? -11.944 -4.836  -14.311 1.00 38.68 78  A 1 
ATOM 674 C CD  . LYS A 1 78  ? -12.556 -3.727  -15.178 1.00 37.96 78  A 1 
ATOM 675 C CE  . LYS A 1 78  ? -13.956 -4.111  -15.654 1.00 35.96 78  A 1 
ATOM 676 N NZ  . LYS A 1 78  ? -14.497 -3.075  -16.568 1.00 33.70 78  A 1 
ATOM 677 N N   . ASN A 1 79  ? -7.544  -6.571  -13.727 1.00 38.39 79  A 1 
ATOM 678 C CA  . ASN A 1 79  ? -6.202  -6.707  -14.315 1.00 39.48 79  A 1 
ATOM 679 C C   . ASN A 1 79  ? -5.029  -5.880  -13.720 1.00 39.48 79  A 1 
ATOM 680 O O   . ASN A 1 79  ? -5.026  -4.664  -13.616 1.00 37.69 79  A 1 
ATOM 681 C CB  . ASN A 1 79  ? -6.286  -6.600  -15.859 1.00 36.68 79  A 1 
ATOM 682 C CG  . ASN A 1 79  ? -6.113  -7.934  -16.563 1.00 33.04 79  A 1 
ATOM 683 O OD1 . ASN A 1 79  ? -5.450  -8.837  -16.088 1.00 31.22 79  A 1 
ATOM 684 N ND2 . ASN A 1 79  ? -6.685  -8.095  -17.731 1.00 30.64 79  A 1 
ATOM 685 N N   . GLN A 1 80  ? -3.941  -6.611  -13.447 1.00 38.55 80  A 1 
ATOM 686 C CA  . GLN A 1 80  ? -2.706  -6.169  -12.776 1.00 39.73 80  A 1 
ATOM 687 C C   . GLN A 1 80  ? -1.999  -4.946  -13.418 1.00 40.27 80  A 1 
ATOM 688 O O   . GLN A 1 80  ? -1.262  -4.237  -12.738 1.00 39.04 80  A 1 
ATOM 689 C CB  . GLN A 1 80  ? -1.787  -7.405  -12.778 1.00 37.84 80  A 1 
ATOM 690 C CG  . GLN A 1 80  ? -0.856  -7.545  -11.574 1.00 34.19 80  A 1 
ATOM 691 C CD  . GLN A 1 80  ? -0.124  -8.891  -11.573 1.00 32.46 80  A 1 
ATOM 692 O OE1 . GLN A 1 80  ? -0.185  -9.677  -12.507 1.00 31.40 80  A 1 
ATOM 693 N NE2 . GLN A 1 80  ? 0.596   -9.218  -10.527 1.00 31.77 80  A 1 
ATOM 694 N N   . ARG A 1 81  ? -2.223  -4.675  -14.715 1.00 38.88 81  A 1 
ATOM 695 C CA  . ARG A 1 81  ? -1.656  -3.505  -15.422 1.00 40.00 81  A 1 
ATOM 696 C C   . ARG A 1 81  ? -2.341  -2.178  -15.071 1.00 40.82 81  A 1 
ATOM 697 O O   . ARG A 1 81  ? -1.679  -1.144  -15.066 1.00 39.69 81  A 1 
ATOM 698 C CB  . ARG A 1 81  ? -1.690  -3.724  -16.943 1.00 38.90 81  A 1 
ATOM 699 C CG  . ARG A 1 81  ? -0.490  -4.536  -17.445 1.00 35.49 81  A 1 
ATOM 700 C CD  . ARG A 1 81  ? -0.528  -4.644  -18.974 1.00 33.81 81  A 1 
ATOM 701 N NE  . ARG A 1 81  ? 0.655   -5.348  -19.512 1.00 31.96 81  A 1 
ATOM 702 C CZ  . ARG A 1 81  ? 0.886   -5.634  -20.783 1.00 30.40 81  A 1 
ATOM 703 N NH1 . ARG A 1 81  ? 0.042   -5.312  -21.724 1.00 29.65 81  A 1 
ATOM 704 N NH2 . ARG A 1 81  ? 1.975   -6.252  -21.135 1.00 29.03 81  A 1 
ATOM 705 N N   . GLU A 1 82  ? -3.631  -2.197  -14.776 1.00 36.47 82  A 1 
ATOM 706 C CA  . GLU A 1 82  ? -4.386  -0.992  -14.397 1.00 37.67 82  A 1 
ATOM 707 C C   . GLU A 1 82  ? -4.009  -0.521  -12.986 1.00 37.74 82  A 1 
ATOM 708 O O   . GLU A 1 82  ? -3.985  0.678   -12.716 1.00 37.10 82  A 1 
ATOM 709 C CB  . GLU A 1 82  ? -5.892  -1.263  -14.530 1.00 37.59 82  A 1 
ATOM 710 C CG  . GLU A 1 82  ? -6.319  -1.447  -16.001 1.00 34.54 82  A 1 
ATOM 711 C CD  . GLU A 1 82  ? -7.828  -1.699  -16.190 1.00 33.37 82  A 1 
ATOM 712 O OE1 . GLU A 1 82  ? -8.277  -1.675  -17.361 1.00 31.63 82  A 1 
ATOM 713 O OE2 . GLU A 1 82  ? -8.530  -1.949  -15.184 1.00 33.52 82  A 1 
ATOM 714 N N   . TRP A 1 83  ? -3.575  -1.443  -12.118 1.00 35.66 83  A 1 
ATOM 715 C CA  . TRP A 1 83  ? -3.043  -1.140  -10.786 1.00 36.10 83  A 1 
ATOM 716 C C   . TRP A 1 83  ? -1.846  -0.195  -10.794 1.00 35.50 83  A 1 
ATOM 717 O O   . TRP A 1 83  ? -1.817  0.780   -10.036 1.00 35.32 83  A 1 
ATOM 718 C CB  . TRP A 1 83  ? -2.605  -2.450  -10.134 1.00 35.29 83  A 1 
ATOM 719 C CG  . TRP A 1 83  ? -3.701  -3.107  -9.390  1.00 34.35 83  A 1 
ATOM 720 C CD1 . TRP A 1 83  ? -4.282  -4.276  -9.677  1.00 32.46 83  A 1 
ATOM 721 C CD2 . TRP A 1 83  ? -4.254  -2.641  -8.127  1.00 33.37 83  A 1 
ATOM 722 N NE1 . TRP A 1 83  ? -5.102  -4.612  -8.631  1.00 31.91 83  A 1 
ATOM 723 C CE2 . TRP A 1 83  ? -5.064  -3.673  -7.616  1.00 31.51 83  A 1 
ATOM 724 C CE3 . TRP A 1 83  ? -4.090  -1.508  -7.335  1.00 32.74 83  A 1 
ATOM 725 C CZ2 . TRP A 1 83  ? -5.561  -3.631  -6.321  1.00 30.86 83  A 1 
ATOM 726 C CZ3 . TRP A 1 83  ? -4.653  -1.401  -6.072  1.00 30.23 83  A 1 
ATOM 727 C CH2 . TRP A 1 83  ? -5.335  -2.491  -5.528  1.00 30.07 83  A 1 
ATOM 728 N N   . SER A 1 84  ? -0.875  -0.471  -11.644 1.00 35.30 84  A 1 
ATOM 729 C CA  . SER A 1 84  ? 0.334   0.347   -11.738 1.00 35.65 84  A 1 
ATOM 730 C C   . SER A 1 84  ? -0.000  1.771   -12.180 1.00 35.76 84  A 1 
ATOM 731 O O   . SER A 1 84  ? 0.566   2.719   -11.646 1.00 34.82 84  A 1 
ATOM 732 C CB  . SER A 1 84  ? 1.331   -0.289  -12.708 1.00 34.41 84  A 1 
ATOM 733 O OG  . SER A 1 84  ? 1.545   -1.653  -12.384 1.00 32.05 84  A 1 
ATOM 734 N N   . MET A 1 85  ? -0.957  1.943   -13.099 1.00 33.49 85  A 1 
ATOM 735 C CA  . MET A 1 85  ? -1.397  3.272   -13.535 1.00 33.83 85  A 1 
ATOM 736 C C   . MET A 1 85  ? -2.161  4.024   -12.446 1.00 34.68 85  A 1 
ATOM 737 O O   . MET A 1 85  ? -1.875  5.195   -12.234 1.00 34.20 85  A 1 
ATOM 738 C CB  . MET A 1 85  ? -2.230  3.193   -14.819 1.00 32.76 85  A 1 
ATOM 739 C CG  . MET A 1 85  ? -1.334  3.031   -16.050 1.00 28.97 85  A 1 
ATOM 740 S SD  . MET A 1 85  ? -2.037  3.718   -17.581 1.00 26.91 85  A 1 
ATOM 741 C CE  . MET A 1 85  ? -3.304  2.480   -17.965 1.00 25.30 85  A 1 
ATOM 742 N N   . VAL A 1 86  ? -3.065  3.370   -11.713 1.00 34.95 86  A 1 
ATOM 743 C CA  . VAL A 1 86  ? -3.848  4.028   -10.653 1.00 35.87 86  A 1 
ATOM 744 C C   . VAL A 1 86  ? -2.957  4.450   -9.485  1.00 35.57 86  A 1 
ATOM 745 O O   . VAL A 1 86  ? -3.082  5.571   -8.998  1.00 34.89 86  A 1 
ATOM 746 C CB  . VAL A 1 86  ? -5.012  3.129   -10.202 1.00 35.42 86  A 1 
ATOM 747 C CG1 . VAL A 1 86  ? -5.749  3.672   -8.972  1.00 32.62 86  A 1 
ATOM 748 C CG2 . VAL A 1 86  ? -6.045  3.018   -11.333 1.00 32.51 86  A 1 
ATOM 749 N N   . ILE A 1 87  ? -1.997  3.609   -9.076  1.00 35.03 87  A 1 
ATOM 750 C CA  . ILE A 1 87  ? -1.027  3.959   -8.030  1.00 35.70 87  A 1 
ATOM 751 C C   . ILE A 1 87  ? -0.143  5.128   -8.484  1.00 35.54 87  A 1 
ATOM 752 O O   . ILE A 1 87  ? 0.035   6.083   -7.732  1.00 35.03 87  A 1 
ATOM 753 C CB  . ILE A 1 87  ? -0.205  2.716   -7.611  1.00 35.51 87  A 1 
ATOM 754 C CG1 . ILE A 1 87  ? -1.130  1.696   -6.899  1.00 33.19 87  A 1 
ATOM 755 C CG2 . ILE A 1 87  ? 0.970   3.103   -6.691  1.00 33.08 87  A 1 
ATOM 756 C CD1 . ILE A 1 87  ? -0.484  0.328   -6.644  1.00 31.81 87  A 1 
ATOM 757 N N   . LEU A 1 88  ? 0.354   5.112   -9.726  1.00 31.90 88  A 1 
ATOM 758 C CA  . LEU A 1 88  ? 1.147   6.212   -10.290 1.00 32.17 88  A 1 
ATOM 759 C C   . LEU A 1 88  ? 0.334   7.505   -10.430 1.00 32.70 88  A 1 
ATOM 760 O O   . LEU A 1 88  ? 0.875   8.589   -10.219 1.00 31.84 88  A 1 
ATOM 761 C CB  . LEU A 1 88  ? 1.717   5.787   -11.655 1.00 30.80 88  A 1 
ATOM 762 C CG  . LEU A 1 88  ? 2.927   4.841   -11.565 1.00 27.83 88  A 1 
ATOM 763 C CD1 . LEU A 1 88  ? 3.201   4.206   -12.935 1.00 25.30 88  A 1 
ATOM 764 C CD2 . LEU A 1 88  ? 4.190   5.583   -11.133 1.00 25.75 88  A 1 
ATOM 765 N N   . GLN A 1 89  ? -0.955  7.419   -10.742 1.00 33.31 89  A 1 
ATOM 766 C CA  . GLN A 1 89  ? -1.840  8.574   -10.881 1.00 33.95 89  A 1 
ATOM 767 C C   . GLN A 1 89  ? -2.187  9.195   -9.521  1.00 33.85 89  A 1 
ATOM 768 O O   . GLN A 1 89  ? -2.177  10.417  -9.394  1.00 33.13 89  A 1 
ATOM 769 C CB  . GLN A 1 89  ? -3.073  8.140   -11.683 1.00 33.59 89  A 1 
ATOM 770 C CG  . GLN A 1 89  ? -3.905  9.313   -12.214 1.00 30.61 89  A 1 
ATOM 771 C CD  . GLN A 1 89  ? -4.958  8.854   -13.227 1.00 28.69 89  A 1 
ATOM 772 O OE1 . GLN A 1 89  ? -5.215  7.678   -13.438 1.00 28.16 89  A 1 
ATOM 773 N NE2 . GLN A 1 89  ? -5.609  9.771   -13.905 1.00 27.72 89  A 1 
ATOM 774 N N   . ILE A 1 90  ? -2.386  8.373   -8.480  1.00 35.83 90  A 1 
ATOM 775 C CA  . ILE A 1 90  ? -2.528  8.838   -7.090  1.00 36.17 90  A 1 
ATOM 776 C C   . ILE A 1 90  ? -1.220  9.486   -6.613  1.00 35.47 90  A 1 
ATOM 777 O O   . ILE A 1 90  ? -1.244  10.553  -6.001  1.00 34.69 90  A 1 
ATOM 778 C CB  . ILE A 1 90  ? -2.967  7.661   -6.181  1.00 35.30 90  A 1 
ATOM 779 C CG1 . ILE A 1 90  ? -4.414  7.226   -6.531  1.00 33.06 90  A 1 
ATOM 780 C CG2 . ILE A 1 90  ? -2.888  8.035   -4.691  1.00 33.06 90  A 1 
ATOM 781 C CD1 . ILE A 1 90  ? -4.812  5.864   -5.938  1.00 32.15 90  A 1 
ATOM 782 N N   . TRP A 1 91  ? -0.062  8.909   -6.948  1.00 31.81 91  A 1 
ATOM 783 C CA  . TRP A 1 91  ? 1.248   9.464   -6.594  1.00 31.87 91  A 1 
ATOM 784 C C   . TRP A 1 91  ? 1.559   10.764  -7.353  1.00 31.47 91  A 1 
ATOM 785 O O   . TRP A 1 91  ? 2.065   11.721  -6.763  1.00 30.70 91  A 1 
ATOM 786 C CB  . TRP A 1 91  ? 2.319   8.393   -6.830  1.00 30.36 91  A 1 
ATOM 787 C CG  . TRP A 1 91  ? 3.482   8.431   -5.888  1.00 29.40 91  A 1 
ATOM 788 C CD1 . TRP A 1 91  ? 3.424   8.138   -4.571  1.00 27.22 91  A 1 
ATOM 789 C CD2 . TRP A 1 91  ? 4.886   8.747   -6.168  1.00 28.31 91  A 1 
ATOM 790 N NE1 . TRP A 1 91  ? 4.684   8.248   -4.012  1.00 27.55 91  A 1 
ATOM 791 C CE2 . TRP A 1 91  ? 5.624   8.613   -4.952  1.00 27.83 91  A 1 
ATOM 792 C CE3 . TRP A 1 91  ? 5.606   9.119   -7.325  1.00 28.51 91  A 1 
ATOM 793 C CZ2 . TRP A 1 91  ? 7.008   8.837   -4.888  1.00 26.05 91  A 1 
ATOM 794 C CZ3 . TRP A 1 91  ? 6.997   9.348   -7.265  1.00 25.52 91  A 1 
ATOM 795 C CH2 . TRP A 1 91  ? 7.694   9.205   -6.049  1.00 25.48 91  A 1 
ATOM 796 N N   . GLY A 1 92  ? 1.202   10.839  -8.630  1.00 32.67 92  A 1 
ATOM 797 C CA  . GLY A 1 92  ? 1.332   12.042  -9.456  1.00 33.02 92  A 1 
ATOM 798 C C   . GLY A 1 92  ? 0.394   13.175  -9.037  1.00 33.46 92  A 1 
ATOM 799 O O   . GLY A 1 92  ? 0.807   14.333  -9.041  1.00 31.73 92  A 1 
ATOM 800 N N   . SER A 1 93  ? -0.830  12.856  -8.607  1.00 33.66 93  A 1 
ATOM 801 C CA  . SER A 1 93  ? -1.824  13.833  -8.140  1.00 34.42 93  A 1 
ATOM 802 C C   . SER A 1 93  ? -1.527  14.370  -6.737  1.00 34.38 93  A 1 
ATOM 803 O O   . SER A 1 93  ? -1.977  15.459  -6.402  1.00 32.60 93  A 1 
ATOM 804 C CB  . SER A 1 93  ? -3.232  13.228  -8.160  1.00 32.62 93  A 1 
ATOM 805 O OG  . SER A 1 93  ? -3.540  12.713  -9.442  1.00 30.54 93  A 1 
ATOM 806 N N   . ASN A 1 94  ? -0.742  13.639  -5.930  1.00 32.69 94  A 1 
ATOM 807 C CA  . ASN A 1 94  ? -0.318  14.069  -4.594  1.00 34.13 94  A 1 
ATOM 808 C C   . ASN A 1 94  ? 0.999   14.869  -4.583  1.00 33.75 94  A 1 
ATOM 809 O O   . ASN A 1 94  ? 1.381   15.385  -3.533  1.00 32.63 94  A 1 
ATOM 810 C CB  . ASN A 1 94  ? -0.267  12.844  -3.667  1.00 33.48 94  A 1 
ATOM 811 C CG  . ASN A 1 94  ? -1.642  12.414  -3.190  1.00 31.39 94  A 1 
ATOM 812 O OD1 . ASN A 1 94  ? -2.504  13.213  -2.883  1.00 29.72 94  A 1 
ATOM 813 N ND2 . ASN A 1 94  ? -1.892  11.134  -3.085  1.00 29.52 94  A 1 
ATOM 814 N N   . ARG A 1 95  ? 1.681   15.043  -5.726  1.00 27.83 95  A 1 
ATOM 815 C CA  . ARG A 1 95  ? 2.860   15.931  -5.825  1.00 28.61 95  A 1 
ATOM 816 C C   . ARG A 1 95  ? 2.601   17.386  -5.394  1.00 28.82 95  A 1 
ATOM 817 O O   . ARG A 1 95  ? 3.521   17.961  -4.822  1.00 27.94 95  A 1 
ATOM 818 C CB  . ARG A 1 95  ? 3.486   15.890  -7.227  1.00 27.49 95  A 1 
ATOM 819 C CG  . ARG A 1 95  ? 4.421   14.690  -7.404  1.00 24.98 95  A 1 
ATOM 820 C CD  . ARG A 1 95  ? 5.228   14.844  -8.695  1.00 23.64 95  A 1 
ATOM 821 N NE  . ARG A 1 95  ? 6.097   13.682  -8.938  1.00 22.07 95  A 1 
ATOM 822 C CZ  . ARG A 1 95  ? 7.094   13.618  -9.802  1.00 21.42 95  A 1 
ATOM 823 N NH1 . ARG A 1 95  ? 7.429   14.636  -10.548 1.00 21.49 95  A 1 
ATOM 824 N NH2 . ARG A 1 95  ? 7.781   12.519  -9.934  1.00 21.07 95  A 1 
ATOM 825 N N   . PRO A 1 96  ? 1.411   17.995  -5.583  1.00 30.73 96  A 1 
ATOM 826 C CA  . PRO A 1 96  ? 1.166   19.354  -5.092  1.00 31.35 96  A 1 
ATOM 827 C C   . PRO A 1 96  ? 1.015   19.446  -3.565  1.00 31.81 96  A 1 
ATOM 828 O O   . PRO A 1 96  ? 1.136   20.533  -3.019  1.00 31.22 96  A 1 
ATOM 829 C CB  . PRO A 1 96  ? -0.104  19.843  -5.799  1.00 29.84 96  A 1 
ATOM 830 C CG  . PRO A 1 96  ? -0.349  18.827  -6.909  1.00 29.06 96  A 1 
ATOM 831 C CD  . PRO A 1 96  ? 0.274   17.552  -6.366  1.00 30.66 96  A 1 
ATOM 832 N N   . PHE A 1 97  ? 0.755   18.338  -2.860  1.00 27.46 97  A 1 
ATOM 833 C CA  . PHE A 1 97  ? 0.519   18.335  -1.411  1.00 28.00 97  A 1 
ATOM 834 C C   . PHE A 1 97  ? 1.789   18.145  -0.569  1.00 27.84 97  A 1 
ATOM 835 O O   . PHE A 1 97  ? 1.720   18.264  0.653   1.00 27.06 97  A 1 
ATOM 836 C CB  . PHE A 1 97  ? -0.563  17.305  -1.060  1.00 27.50 97  A 1 
ATOM 837 C CG  . PHE A 1 97  ? -1.974  17.822  -1.280  1.00 26.20 97  A 1 
ATOM 838 C CD1 . PHE A 1 97  ? -2.581  18.619  -0.290  1.00 24.55 97  A 1 
ATOM 839 C CD2 . PHE A 1 97  ? -2.673  17.525  -2.464  1.00 24.64 97  A 1 
ATOM 840 C CE1 . PHE A 1 97  ? -3.882  19.114  -0.479  1.00 23.46 97  A 1 
ATOM 841 C CE2 . PHE A 1 97  ? -3.973  18.023  -2.659  1.00 23.76 97  A 1 
ATOM 842 C CZ  . PHE A 1 97  ? -4.578  18.815  -1.663  1.00 23.46 97  A 1 
ATOM 843 N N   . MET A 1 98  ? 2.945   17.881  -1.188  1.00 26.45 98  A 1 
ATOM 844 C CA  . MET A 1 98  ? 4.239   17.807  -0.484  1.00 26.98 98  A 1 
ATOM 845 C C   . MET A 1 98  ? 5.040   19.122  -0.514  1.00 27.35 98  A 1 
ATOM 846 O O   . MET A 1 98  ? 6.126   19.180  0.049   1.00 26.70 98  A 1 
ATOM 847 C CB  . MET A 1 98  ? 5.068   16.618  -0.984  1.00 26.27 98  A 1 
ATOM 848 C CG  . MET A 1 98  ? 4.623   15.315  -0.314  1.00 23.93 98  A 1 
ATOM 849 S SD  . MET A 1 98  ? 5.877   14.014  -0.398  1.00 22.65 98  A 1 
ATOM 850 C CE  . MET A 1 98  ? 5.140   12.795  0.717   1.00 20.66 98  A 1 
ATOM 851 N N   . TYR A 1 99  ? 4.516   20.171  -1.149  1.00 25.10 99  A 1 
ATOM 852 C CA  . TYR A 1 99  ? 5.093   21.511  -1.120  1.00 25.98 99  A 1 
ATOM 853 C C   . TYR A 1 99  ? 3.999   22.517  -0.763  1.00 25.97 99  A 1 
ATOM 854 O O   . TYR A 1 99  ? 3.496   23.199  -1.639  1.00 24.98 99  A 1 
ATOM 855 C CB  . TYR A 1 99  ? 5.766   21.839  -2.462  1.00 25.10 99  A 1 
ATOM 856 C CG  . TYR A 1 99  ? 7.080   21.127  -2.709  1.00 23.50 99  A 1 
ATOM 857 C CD1 . TYR A 1 99  ? 8.272   21.661  -2.182  1.00 21.48 99  A 1 
ATOM 858 C CD2 . TYR A 1 99  ? 7.119   19.947  -3.473  1.00 20.76 99  A 1 
ATOM 859 C CE1 . TYR A 1 99  ? 9.501   21.020  -2.422  1.00 20.12 99  A 1 
ATOM 860 C CE2 . TYR A 1 99  ? 8.343   19.300  -3.711  1.00 20.78 99  A 1 
ATOM 861 C CZ  . TYR A 1 99  ? 9.537   19.839  -3.189  1.00 20.32 99  A 1 
ATOM 862 O OH  . TYR A 1 99  ? 10.724  19.216  -3.427  1.00 19.89 99  A 1 
ATOM 863 N N   . HIS A 1 100 ? 3.629   22.544  0.529   1.00 27.23 100 A 1 
ATOM 864 C CA  . HIS A 1 100 ? 3.165   23.744  1.235   1.00 28.83 100 A 1 
ATOM 865 C C   . HIS A 1 100 ? 2.984   23.450  2.721   1.00 27.65 100 A 1 
ATOM 866 O O   . HIS A 1 100 ? 2.334   22.425  3.043   1.00 26.20 100 A 1 
ATOM 867 C CB  . HIS A 1 100 ? 1.910   24.381  0.616   1.00 27.60 100 A 1 
ATOM 868 C CG  . HIS A 1 100 ? 2.269   25.557  -0.276  1.00 26.02 100 A 1 
ATOM 869 N ND1 . HIS A 1 100 ? 3.024   26.638  0.111   1.00 23.92 100 A 1 
ATOM 870 C CD2 . HIS A 1 100 ? 1.992   25.724  -1.604  1.00 22.81 100 A 1 
ATOM 871 C CE1 . HIS A 1 100 ? 3.214   27.427  -0.960  1.00 23.61 100 A 1 
ATOM 872 N NE2 . HIS A 1 100 ? 2.596   26.912  -2.030  1.00 26.02 100 A 1 
ATOM 873 O OXT . HIS A 1 100 ? 3.505   24.272  3.498   1.00 24.71 100 A 1 
#
