# 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_prod-mmseqs2-test
#
_entry.id prod-mmseqs2-test
#
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" 
"C4 H7 N O4"    133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O             ? "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" 
#
_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 
#
loop_
_entity.id
_entity.pdbx_description
_entity.type
1 . polymer 
2 . polymer 
#
loop_
_entity_poly.entity_id
_entity_poly.pdbx_strand_id
_entity_poly.type
1 A polypeptide(L) 
2 B polypeptide(L) 
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.hetero
_entity_poly_seq.mon_id
_entity_poly_seq.num
1 n MET 1  
1 n LEU 2  
1 n PRO 3  
1 n ASP 4  
1 n TRP 5  
1 n LYS 6  
1 n SER 7  
1 n SER 8  
1 n LEU 9  
1 n ILE 10 
1 n LEU 11 
1 n MET 12 
1 n ALA 13 
1 n TYR 14 
1 n ILE 15 
1 n ILE 16 
1 n ILE 17 
1 n PHE 18 
1 n LEU 19 
1 n THR 20 
1 n MET 21 
1 n LEU 22 
1 n PRO 23 
1 n ASP 24 
1 n TRP 25 
1 n LYS 26 
1 n SER 27 
1 n SER 28 
1 n LEU 29 
1 n ILE 30 
1 n LEU 31 
1 n MET 32 
1 n ALA 33 
1 n TYR 34 
1 n ILE 35 
1 n ILE 36 
1 n ILE 37 
1 n PHE 38 
1 n LEU 39 
1 n THR 40 
1 n MET 41 
1 n LEU 42 
1 n PRO 43 
1 n ASP 44 
1 n TRP 45 
1 n LYS 46 
1 n SER 47 
1 n SER 48 
1 n LEU 49 
1 n ILE 50 
1 n LEU 51 
1 n MET 52 
1 n ALA 53 
1 n TYR 54 
1 n ILE 55 
1 n ILE 56 
1 n ILE 57 
1 n PHE 58 
1 n LEU 59 
1 n THR 60 
2 n MET 1  
2 n LEU 2  
2 n PRO 3  
2 n ASP 4  
2 n TRP 5  
2 n LYS 6  
2 n SER 7  
2 n SER 8  
2 n LEU 9  
2 n ILE 10 
2 n LEU 11 
2 n MET 12 
2 n ALA 13 
2 n TYR 14 
2 n ILE 15 
2 n ILE 16 
2 n ILE 17 
2 n PHE 18 
2 n LEU 19 
2 n THR 20 
2 n MET 21 
2 n LEU 22 
2 n PRO 23 
2 n ASP 24 
2 n TRP 25 
2 n LYS 26 
2 n SER 27 
2 n SER 28 
2 n LEU 29 
2 n ILE 30 
2 n LEU 31 
2 n MET 32 
2 n ALA 33 
2 n TYR 34 
2 n ILE 35 
2 n ILE 36 
2 n ILE 37 
2 n PHE 38 
2 n LEU 39 
2 n THR 40 
2 n MET 41 
2 n LEU 42 
2 n PRO 43 
2 n ASP 44 
2 n TRP 45 
2 n LYS 46 
2 n SER 47 
2 n SER 48 
2 n LEU 49 
2 n ILE 50 
2 n LEU 51 
2 n MET 52 
2 n ALA 53 
2 n TYR 54 
2 n ILE 55 
2 n ILE 56 
2 n ILE 57 
2 n PHE 58 
2 n LEU 59 
2 n THR 60 
#
_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 @ 2025-07-17 10:40:45)"
_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 59.04
_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 MET 1  2 47.36 1 1   
A LEU 2  2 48.55 1 2   
A PRO 3  2 48.78 1 3   
A ASP 4  2 55.70 1 4   
A TRP 5  2 53.30 1 5   
A LYS 6  2 57.36 1 6   
A SER 7  2 62.39 1 7   
A SER 8  2 61.86 1 8   
A LEU 9  2 61.34 1 9   
A ILE 10 2 64.91 1 10  
A LEU 11 2 63.84 1 11  
A MET 12 2 61.33 1 12  
A ALA 13 2 67.27 1 13  
A TYR 14 2 60.86 1 14  
A ILE 15 2 64.74 1 15  
A ILE 16 2 63.23 1 16  
A ILE 17 2 66.39 1 17  
A PHE 18 2 58.64 1 18  
A LEU 19 2 60.83 1 19  
A THR 20 2 60.27 1 20  
A MET 21 2 57.83 1 21  
A LEU 22 2 52.85 1 22  
A PRO 23 2 55.23 1 23  
A ASP 24 2 56.31 1 24  
A TRP 25 2 48.79 1 25  
A LYS 26 2 57.29 1 26  
A SER 27 2 60.56 1 27  
A SER 28 2 61.03 1 28  
A LEU 29 2 58.83 1 29  
A ILE 30 2 62.06 1 30  
A LEU 31 2 62.23 1 31  
A MET 32 2 60.66 1 32  
A ALA 33 2 64.38 1 33  
A TYR 34 2 59.61 1 34  
A ILE 35 2 64.30 1 35  
A ILE 36 2 61.65 1 36  
A ILE 37 2 63.16 1 37  
A PHE 38 2 55.86 1 38  
A LEU 39 2 58.88 1 39  
A THR 40 2 57.01 1 40  
A MET 41 2 55.80 1 41  
A LEU 42 2 52.57 1 42  
A PRO 43 2 54.88 1 43  
A ASP 44 2 57.94 1 44  
A TRP 45 2 52.51 1 45  
A LYS 46 2 58.86 1 46  
A SER 47 2 60.20 1 47  
A SER 48 2 60.50 1 48  
A LEU 49 2 62.84 1 49  
A ILE 50 2 65.28 1 50  
A LEU 51 2 62.52 1 51  
A MET 52 2 61.73 1 52  
A ALA 53 2 66.39 1 53  
A TYR 54 2 59.69 1 54  
A ILE 55 2 62.56 1 55  
A ILE 56 2 59.75 1 56  
A ILE 57 2 61.55 1 57  
A PHE 58 2 52.47 1 58  
A LEU 59 2 55.88 1 59  
A THR 60 2 55.46 1 60  
B MET 1  2 47.94 1 61  
B LEU 2  2 49.20 1 62  
B PRO 3  2 49.83 1 63  
B ASP 4  2 56.30 1 64  
B TRP 5  2 54.63 1 65  
B LYS 6  2 57.33 1 66  
B SER 7  2 62.94 1 67  
B SER 8  2 62.86 1 68  
B LEU 9  2 61.86 1 69  
B ILE 10 2 65.08 1 70  
B LEU 11 2 64.53 1 71  
B MET 12 2 62.59 1 72  
B ALA 13 2 67.90 1 73  
B TYR 14 2 61.35 1 74  
B ILE 15 2 65.98 1 75  
B ILE 16 2 64.20 1 76  
B ILE 17 2 66.99 1 77  
B PHE 18 2 59.47 1 78  
B LEU 19 2 62.05 1 79  
B THR 20 2 60.52 1 80  
B MET 21 2 58.00 1 81  
B LEU 22 2 53.55 1 82  
B PRO 23 2 55.28 1 83  
B ASP 24 2 56.55 1 84  
B TRP 25 2 49.37 1 85  
B LYS 26 2 57.53 1 86  
B SER 27 2 61.53 1 87  
B SER 28 2 61.73 1 88  
B LEU 29 2 59.29 1 89  
B ILE 30 2 63.04 1 90  
B LEU 31 2 63.08 1 91  
B MET 32 2 61.19 1 92  
B ALA 33 2 64.88 1 93  
B TYR 34 2 60.26 1 94  
B ILE 35 2 65.33 1 95  
B ILE 36 2 62.05 1 96  
B ILE 37 2 64.06 1 97  
B PHE 38 2 56.69 1 98  
B LEU 39 2 59.43 1 99  
B THR 40 2 57.47 1 100 
B MET 41 2 56.57 1 101 
B LEU 42 2 53.07 1 102 
B PRO 43 2 55.17 1 103 
B ASP 44 2 57.72 1 104 
B TRP 45 2 53.75 1 105 
B LYS 46 2 59.41 1 106 
B SER 47 2 60.76 1 107 
B SER 48 2 61.40 1 108 
B LEU 49 2 63.34 1 109 
B ILE 50 2 66.41 1 110 
B LEU 51 2 63.77 1 111 
B MET 52 2 62.88 1 112 
B ALA 53 2 67.37 1 113 
B TYR 54 2 60.58 1 114 
B ILE 55 2 63.96 1 115 
B ILE 56 2 61.05 1 116 
B ILE 57 2 63.08 1 117 
B PHE 58 2 53.95 1 118 
B LEU 59 2 57.27 1 119 
B THR 60 2 56.50 1 120 
#
_ma_software_group.group_id    1
_ma_software_group.ordinal_id  1
_ma_software_group.software_id 1
#
loop_
_ma_target_entity.data_id
_ma_target_entity.entity_id
_ma_target_entity.origin
1 1 . 
1 2 . 
#
loop_
_ma_target_entity_instance.asym_id
_ma_target_entity_instance.details
_ma_target_entity_instance.entity_id
A . 1 
B . 2 
#
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 MET . 1  A 1  
A 2  1 n LEU . 2  A 2  
A 3  1 n PRO . 3  A 3  
A 4  1 n ASP . 4  A 4  
A 5  1 n TRP . 5  A 5  
A 6  1 n LYS . 6  A 6  
A 7  1 n SER . 7  A 7  
A 8  1 n SER . 8  A 8  
A 9  1 n LEU . 9  A 9  
A 10 1 n ILE . 10 A 10 
A 11 1 n LEU . 11 A 11 
A 12 1 n MET . 12 A 12 
A 13 1 n ALA . 13 A 13 
A 14 1 n TYR . 14 A 14 
A 15 1 n ILE . 15 A 15 
A 16 1 n ILE . 16 A 16 
A 17 1 n ILE . 17 A 17 
A 18 1 n PHE . 18 A 18 
A 19 1 n LEU . 19 A 19 
A 20 1 n THR . 20 A 20 
A 21 1 n MET . 21 A 21 
A 22 1 n LEU . 22 A 22 
A 23 1 n PRO . 23 A 23 
A 24 1 n ASP . 24 A 24 
A 25 1 n TRP . 25 A 25 
A 26 1 n LYS . 26 A 26 
A 27 1 n SER . 27 A 27 
A 28 1 n SER . 28 A 28 
A 29 1 n LEU . 29 A 29 
A 30 1 n ILE . 30 A 30 
A 31 1 n LEU . 31 A 31 
A 32 1 n MET . 32 A 32 
A 33 1 n ALA . 33 A 33 
A 34 1 n TYR . 34 A 34 
A 35 1 n ILE . 35 A 35 
A 36 1 n ILE . 36 A 36 
A 37 1 n ILE . 37 A 37 
A 38 1 n PHE . 38 A 38 
A 39 1 n LEU . 39 A 39 
A 40 1 n THR . 40 A 40 
A 41 1 n MET . 41 A 41 
A 42 1 n LEU . 42 A 42 
A 43 1 n PRO . 43 A 43 
A 44 1 n ASP . 44 A 44 
A 45 1 n TRP . 45 A 45 
A 46 1 n LYS . 46 A 46 
A 47 1 n SER . 47 A 47 
A 48 1 n SER . 48 A 48 
A 49 1 n LEU . 49 A 49 
A 50 1 n ILE . 50 A 50 
A 51 1 n LEU . 51 A 51 
A 52 1 n MET . 52 A 52 
A 53 1 n ALA . 53 A 53 
A 54 1 n TYR . 54 A 54 
A 55 1 n ILE . 55 A 55 
A 56 1 n ILE . 56 A 56 
A 57 1 n ILE . 57 A 57 
A 58 1 n PHE . 58 A 58 
A 59 1 n LEU . 59 A 59 
A 60 1 n THR . 60 A 60 
B 1  2 n MET . 1  B 1  
B 2  2 n LEU . 2  B 2  
B 3  2 n PRO . 3  B 3  
B 4  2 n ASP . 4  B 4  
B 5  2 n TRP . 5  B 5  
B 6  2 n LYS . 6  B 6  
B 7  2 n SER . 7  B 7  
B 8  2 n SER . 8  B 8  
B 9  2 n LEU . 9  B 9  
B 10 2 n ILE . 10 B 10 
B 11 2 n LEU . 11 B 11 
B 12 2 n MET . 12 B 12 
B 13 2 n ALA . 13 B 13 
B 14 2 n TYR . 14 B 14 
B 15 2 n ILE . 15 B 15 
B 16 2 n ILE . 16 B 16 
B 17 2 n ILE . 17 B 17 
B 18 2 n PHE . 18 B 18 
B 19 2 n LEU . 19 B 19 
B 20 2 n THR . 20 B 20 
B 21 2 n MET . 21 B 21 
B 22 2 n LEU . 22 B 22 
B 23 2 n PRO . 23 B 23 
B 24 2 n ASP . 24 B 24 
B 25 2 n TRP . 25 B 25 
B 26 2 n LYS . 26 B 26 
B 27 2 n SER . 27 B 27 
B 28 2 n SER . 28 B 28 
B 29 2 n LEU . 29 B 29 
B 30 2 n ILE . 30 B 30 
B 31 2 n LEU . 31 B 31 
B 32 2 n MET . 32 B 32 
B 33 2 n ALA . 33 B 33 
B 34 2 n TYR . 34 B 34 
B 35 2 n ILE . 35 B 35 
B 36 2 n ILE . 36 B 36 
B 37 2 n ILE . 37 B 37 
B 38 2 n PHE . 38 B 38 
B 39 2 n LEU . 39 B 39 
B 40 2 n THR . 40 B 40 
B 41 2 n MET . 41 B 41 
B 42 2 n LEU . 42 B 42 
B 43 2 n PRO . 43 B 43 
B 44 2 n ASP . 44 B 44 
B 45 2 n TRP . 45 B 45 
B 46 2 n LYS . 46 B 46 
B 47 2 n SER . 47 B 47 
B 48 2 n SER . 48 B 48 
B 49 2 n LEU . 49 B 49 
B 50 2 n ILE . 50 B 50 
B 51 2 n LEU . 51 B 51 
B 52 2 n MET . 52 B 52 
B 53 2 n ALA . 53 B 53 
B 54 2 n TYR . 54 B 54 
B 55 2 n ILE . 55 B 55 
B 56 2 n ILE . 56 B 56 
B 57 2 n ILE . 57 B 57 
B 58 2 n PHE . 58 B 58 
B 59 2 n LEU . 59 B 59 
B 60 2 n THR . 60 B 60 
#
_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)"
#
loop_
_struct_asym.entity_id
_struct_asym.id
1 A 
2 B 
#
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   . MET A 1 1  ? 4.951   -15.535 8.918   1.00 47.08 1  A 1 
ATOM 2   C CA  . MET A 1 1  ? 3.587   -16.098 8.999   1.00 52.07 1  A 1 
ATOM 3   C C   . MET A 1 1  ? 2.726   -15.126 9.798   1.00 53.42 1  A 1 
ATOM 4   O O   . MET A 1 1  ? 3.008   -14.901 10.971  1.00 50.83 1  A 1 
ATOM 5   C CB  . MET A 1 1  ? 3.654   -17.497 9.632   1.00 50.36 1  A 1 
ATOM 6   C CG  . MET A 1 1  ? 2.422   -18.354 9.336   1.00 46.15 1  A 1 
ATOM 7   S SD  . MET A 1 1  ? 2.657   -20.062 9.921   1.00 41.22 1  A 1 
ATOM 8   C CE  . MET A 1 1  ? 1.146   -20.825 9.291   1.00 37.72 1  A 1 
ATOM 9   N N   . LEU A 1 2  ? 1.742   -14.481 9.157   1.00 49.82 2  A 1 
ATOM 10  C CA  . LEU A 1 2  ? 0.845   -13.523 9.810   1.00 51.81 2  A 1 
ATOM 11  C C   . LEU A 1 2  ? -0.391  -14.284 10.315  1.00 52.22 2  A 1 
ATOM 12  O O   . LEU A 1 2  ? -1.188  -14.751 9.498   1.00 49.39 2  A 1 
ATOM 13  C CB  . LEU A 1 2  ? 0.475   -12.398 8.825   1.00 50.35 2  A 1 
ATOM 14  C CG  . LEU A 1 2  ? 1.604   -11.378 8.587   1.00 46.92 2  A 1 
ATOM 15  C CD1 . LEU A 1 2  ? 1.314   -10.551 7.332   1.00 44.22 2  A 1 
ATOM 16  C CD2 . LEU A 1 2  ? 1.747   -10.416 9.768   1.00 43.70 2  A 1 
ATOM 17  N N   . PRO A 1 3  ? -0.558  -14.445 11.633  1.00 48.63 3  A 1 
ATOM 18  C CA  . PRO A 1 3  ? -1.754  -15.082 12.175  1.00 50.64 3  A 1 
ATOM 19  C C   . PRO A 1 3  ? -2.996  -14.216 11.922  1.00 52.86 3  A 1 
ATOM 20  O O   . PRO A 1 3  ? -2.897  -12.996 11.748  1.00 49.29 3  A 1 
ATOM 21  C CB  . PRO A 1 3  ? -1.457  -15.294 13.665  1.00 47.75 3  A 1 
ATOM 22  C CG  . PRO A 1 3  ? -0.461  -14.194 13.999  1.00 45.69 3  A 1 
ATOM 23  C CD  . PRO A 1 3  ? 0.329   -14.021 12.708  1.00 46.58 3  A 1 
ATOM 24  N N   . ASP A 1 4  ? -4.184  -14.833 11.954  1.00 56.95 4  A 1 
ATOM 25  C CA  . ASP A 1 4  ? -5.462  -14.196 11.593  1.00 60.34 4  A 1 
ATOM 26  C C   . ASP A 1 4  ? -5.732  -12.895 12.378  1.00 61.86 4  A 1 
ATOM 27  O O   . ASP A 1 4  ? -6.224  -11.911 11.821  1.00 60.02 4  A 1 
ATOM 28  C CB  . ASP A 1 4  ? -6.605  -15.207 11.814  1.00 58.19 4  A 1 
ATOM 29  C CG  . ASP A 1 4  ? -6.540  -16.447 10.906  1.00 52.10 4  A 1 
ATOM 30  O OD1 . ASP A 1 4  ? -6.082  -16.327 9.749   1.00 48.63 4  A 1 
ATOM 31  O OD2 . ASP A 1 4  ? -6.961  -17.532 11.361  1.00 47.48 4  A 1 
ATOM 32  N N   . TRP A 1 5  ? -5.340  -12.838 13.656  1.00 57.63 5  A 1 
ATOM 33  C CA  . TRP A 1 5  ? -5.506  -11.625 14.471  1.00 58.58 5  A 1 
ATOM 34  C C   . TRP A 1 5  ? -4.638  -10.452 13.987  1.00 59.26 5  A 1 
ATOM 35  O O   . TRP A 1 5  ? -5.080  -9.302  14.046  1.00 57.61 5  A 1 
ATOM 36  C CB  . TRP A 1 5  ? -5.229  -11.960 15.941  1.00 57.55 5  A 1 
ATOM 37  C CG  . TRP A 1 5  ? -3.806  -12.334 16.260  1.00 55.00 5  A 1 
ATOM 38  C CD1 . TRP A 1 5  ? -3.293  -13.576 16.245  1.00 49.81 5  A 1 
ATOM 39  C CD2 . TRP A 1 5  ? -2.720  -11.439 16.672  1.00 52.58 5  A 1 
ATOM 40  N NE1 . TRP A 1 5  ? -1.948  -13.521 16.619  1.00 48.75 5  A 1 
ATOM 41  C CE2 . TRP A 1 5  ? -1.571  -12.233 16.894  1.00 50.76 5  A 1 
ATOM 42  C CE3 . TRP A 1 5  ? -2.628  -10.057 16.889  1.00 49.85 5  A 1 
ATOM 43  C CZ2 . TRP A 1 5  ? -0.342  -11.668 17.326  1.00 51.92 5  A 1 
ATOM 44  C CZ3 . TRP A 1 5  ? -1.400  -9.485  17.314  1.00 49.10 5  A 1 
ATOM 45  C CH2 . TRP A 1 5  ? -0.278  -10.292 17.530  1.00 47.84 5  A 1 
ATOM 46  N N   . LYS A 1 6  ? -3.439  -10.704 13.465  1.00 59.57 6  A 1 
ATOM 47  C CA  . LYS A 1 6  ? -2.588  -9.647  12.889  1.00 61.25 6  A 1 
ATOM 48  C C   . LYS A 1 6  ? -3.183  -9.117  11.585  1.00 61.48 6  A 1 
ATOM 49  O O   . LYS A 1 6  ? -3.158  -7.911  11.364  1.00 61.30 6  A 1 
ATOM 50  C CB  . LYS A 1 6  ? -1.152  -10.131 12.657  1.00 61.77 6  A 1 
ATOM 51  C CG  . LYS A 1 6  ? -0.346  -10.294 13.955  1.00 58.14 6  A 1 
ATOM 52  C CD  . LYS A 1 6  ? 1.142   -10.504 13.641  1.00 54.71 6  A 1 
ATOM 53  C CE  . LYS A 1 6  ? 1.969   -10.658 14.919  1.00 50.82 6  A 1 
ATOM 54  N NZ  . LYS A 1 6  ? 3.429   -10.664 14.643  1.00 47.18 6  A 1 
ATOM 55  N N   . SER A 1 7  ? -3.770  -9.975  10.757  1.00 63.34 7  A 1 
ATOM 56  C CA  . SER A 1 7  ? -4.443  -9.545  9.528   1.00 64.07 7  A 1 
ATOM 57  C C   . SER A 1 7  ? -5.636  -8.626  9.823   1.00 64.28 7  A 1 
ATOM 58  O O   . SER A 1 7  ? -5.858  -7.667  9.090   1.00 62.76 7  A 1 
ATOM 59  C CB  . SER A 1 7  ? -4.879  -10.755 8.691   1.00 63.12 7  A 1 
ATOM 60  O OG  . SER A 1 7  ? -5.957  -11.456 9.269   1.00 56.76 7  A 1 
ATOM 61  N N   . SER A 1 8  ? -6.341  -8.828  10.931  1.00 62.64 8  A 1 
ATOM 62  C CA  . SER A 1 8  ? -7.424  -7.946  11.388  1.00 63.57 8  A 1 
ATOM 63  C C   . SER A 1 8  ? -6.916  -6.536  11.731  1.00 64.12 8  A 1 
ATOM 64  O O   . SER A 1 8  ? -7.524  -5.546  11.324  1.00 63.84 8  A 1 
ATOM 65  C CB  . SER A 1 8  ? -8.116  -8.583  12.598  1.00 62.03 8  A 1 
ATOM 66  O OG  . SER A 1 8  ? -9.252  -7.828  12.963  1.00 54.94 8  A 1 
ATOM 67  N N   . LEU A 1 9  ? -5.772  -6.418  12.407  1.00 63.77 9  A 1 
ATOM 68  C CA  . LEU A 1 9  ? -5.155  -5.118  12.711  1.00 64.32 9  A 1 
ATOM 69  C C   . LEU A 1 9  ? -4.707  -4.384  11.436  1.00 64.37 9  A 1 
ATOM 70  O O   . LEU A 1 9  ? -4.903  -3.174  11.318  1.00 65.77 9  A 1 
ATOM 71  C CB  . LEU A 1 9  ? -3.960  -5.323  13.655  1.00 63.55 9  A 1 
ATOM 72  C CG  . LEU A 1 9  ? -4.331  -5.763  15.084  1.00 59.88 9  A 1 
ATOM 73  C CD1 . LEU A 1 9  ? -3.056  -6.111  15.855  1.00 53.79 9  A 1 
ATOM 74  C CD2 . LEU A 1 9  ? -5.061  -4.658  15.848  1.00 55.29 9  A 1 
ATOM 75  N N   . ILE A 1 10 ? -4.162  -5.097  10.466  1.00 67.47 10 A 1 
ATOM 76  C CA  . ILE A 1 10 ? -3.775  -4.535  9.162   1.00 68.01 10 A 1 
ATOM 77  C C   . ILE A 1 10 ? -5.014  -3.996  8.431   1.00 68.14 10 A 1 
ATOM 78  O O   . ILE A 1 10 ? -5.000  -2.870  7.942   1.00 66.96 10 A 1 
ATOM 79  C CB  . ILE A 1 10 ? -3.018  -5.592  8.332   1.00 66.62 10 A 1 
ATOM 80  C CG1 . ILE A 1 10 ? -1.679  -5.957  9.007   1.00 63.69 10 A 1 
ATOM 81  C CG2 . ILE A 1 10 ? -2.750  -5.081  6.897   1.00 60.68 10 A 1 
ATOM 82  C CD1 . ILE A 1 10 ? -1.066  -7.253  8.474   1.00 57.73 10 A 1 
ATOM 83  N N   . LEU A 1 11 ? -6.114  -4.748  8.406   1.00 66.46 11 A 1 
ATOM 84  C CA  . LEU A 1 11 ? -7.390  -4.293  7.837   1.00 66.48 11 A 1 
ATOM 85  C C   . LEU A 1 11 ? -7.903  -3.021  8.518   1.00 66.44 11 A 1 
ATOM 86  O O   . LEU A 1 11 ? -8.349  -2.098  7.839   1.00 66.52 11 A 1 
ATOM 87  C CB  . LEU A 1 11 ? -8.433  -5.415  7.958   1.00 65.44 11 A 1 
ATOM 88  C CG  . LEU A 1 11 ? -8.379  -6.411  6.792   1.00 62.78 11 A 1 
ATOM 89  C CD1 . LEU A 1 11 ? -9.171  -7.664  7.155   1.00 57.28 11 A 1 
ATOM 90  C CD2 . LEU A 1 11 ? -8.994  -5.798  5.533   1.00 59.35 11 A 1 
ATOM 91  N N   . MET A 1 12 ? -7.797  -2.927  9.840   1.00 64.99 12 A 1 
ATOM 92  C CA  . MET A 1 12 ? -8.184  -1.728  10.587  1.00 65.39 12 A 1 
ATOM 93  C C   . MET A 1 12 ? -7.361  -0.504  10.152  1.00 65.00 12 A 1 
ATOM 94  O O   . MET A 1 12 ? -7.926  0.572   9.952   1.00 65.90 12 A 1 
ATOM 95  C CB  . MET A 1 12 ? -8.046  -2.010  12.089  1.00 64.20 12 A 1 
ATOM 96  C CG  . MET A 1 12 ? -8.684  -0.904  12.930  1.00 60.66 12 A 1 
ATOM 97  S SD  . MET A 1 12 ? -8.648  -1.253  14.708  1.00 54.88 12 A 1 
ATOM 98  C CE  . MET A 1 12 ? -9.539  0.197   15.324  1.00 49.65 12 A 1 
ATOM 99  N N   . ALA A 1 13 ? -6.060  -0.663  9.920   1.00 67.82 13 A 1 
ATOM 100 C CA  . ALA A 1 13 ? -5.209  0.416   9.416   1.00 67.81 13 A 1 
ATOM 101 C C   . ALA A 1 13 ? -5.637  0.878   8.008   1.00 67.75 13 A 1 
ATOM 102 O O   . ALA A 1 13 ? -5.695  2.080   7.749   1.00 66.26 13 A 1 
ATOM 103 C CB  . ALA A 1 13 ? -3.753  -0.051  9.454   1.00 66.71 13 A 1 
ATOM 104 N N   . TYR A 1 14 ? -6.019  -0.044  7.117   1.00 66.11 14 A 1 
ATOM 105 C CA  . TYR A 1 14 ? -6.563  0.312   5.797   1.00 67.50 14 A 1 
ATOM 106 C C   . TYR A 1 14 ? -7.887  1.075   5.902   1.00 68.28 14 A 1 
ATOM 107 O O   . TYR A 1 14 ? -8.087  2.057   5.192   1.00 69.40 14 A 1 
ATOM 108 C CB  . TYR A 1 14 ? -6.743  -0.939  4.935   1.00 67.29 14 A 1 
ATOM 109 C CG  . TYR A 1 14 ? -5.458  -1.429  4.318   1.00 63.15 14 A 1 
ATOM 110 C CD1 . TYR A 1 14 ? -4.833  -0.679  3.306   1.00 57.68 14 A 1 
ATOM 111 C CD2 . TYR A 1 14 ? -4.871  -2.628  4.761   1.00 57.78 14 A 1 
ATOM 112 C CE1 . TYR A 1 14 ? -3.623  -1.115  2.748   1.00 53.78 14 A 1 
ATOM 113 C CE2 . TYR A 1 14 ? -3.658  -3.066  4.207   1.00 53.59 14 A 1 
ATOM 114 C CZ  . TYR A 1 14 ? -3.035  -2.304  3.206   1.00 53.42 14 A 1 
ATOM 115 O OH  . TYR A 1 14 ? -1.842  -2.726  2.681   1.00 52.34 14 A 1 
ATOM 116 N N   . ILE A 1 15 ? -8.781  0.701   6.813   1.00 66.71 15 A 1 
ATOM 117 C CA  . ILE A 1 15 ? -10.034 1.427   7.067   1.00 66.89 15 A 1 
ATOM 118 C C   . ILE A 1 15 ? -9.734  2.870   7.493   1.00 65.56 15 A 1 
ATOM 119 O O   . ILE A 1 15 ? -10.369 3.794   6.989   1.00 64.83 15 A 1 
ATOM 120 C CB  . ILE A 1 15 ? -10.893 0.676   8.110   1.00 66.87 15 A 1 
ATOM 121 C CG1 . ILE A 1 15 ? -11.416 -0.653  7.517   1.00 65.87 15 A 1 
ATOM 122 C CG2 . ILE A 1 15 ? -12.084 1.540   8.574   1.00 62.06 15 A 1 
ATOM 123 C CD1 . ILE A 1 15 ? -11.958 -1.623  8.570   1.00 59.13 15 A 1 
ATOM 124 N N   . ILE A 1 16 ? -8.739  3.092   8.353   1.00 66.75 16 A 1 
ATOM 125 C CA  . ILE A 1 16 ? -8.319  4.440   8.774   1.00 65.65 16 A 1 
ATOM 126 C C   . ILE A 1 16 ? -7.850  5.267   7.566   1.00 64.70 16 A 1 
ATOM 127 O O   . ILE A 1 16 ? -8.232  6.433   7.444   1.00 63.16 16 A 1 
ATOM 128 C CB  . ILE A 1 16 ? -7.235  4.360   9.874   1.00 65.31 16 A 1 
ATOM 129 C CG1 . ILE A 1 16 ? -7.814  3.742   11.166  1.00 63.50 16 A 1 
ATOM 130 C CG2 . ILE A 1 16 ? -6.660  5.759   10.193  1.00 60.01 16 A 1 
ATOM 131 C CD1 . ILE A 1 16 ? -6.739  3.281   12.158  1.00 56.79 16 A 1 
ATOM 132 N N   . ILE A 1 17 ? -7.089  4.688   6.650   1.00 69.94 17 A 1 
ATOM 133 C CA  . ILE A 1 17 ? -6.670  5.370   5.413   1.00 69.01 17 A 1 
ATOM 134 C C   . ILE A 1 17 ? -7.896  5.804   4.600   1.00 68.05 17 A 1 
ATOM 135 O O   . ILE A 1 17 ? -8.004  6.974   4.240   1.00 66.17 17 A 1 
ATOM 136 C CB  . ILE A 1 17 ? -5.723  4.487   4.572   1.00 68.51 17 A 1 
ATOM 137 C CG1 . ILE A 1 17 ? -4.386  4.280   5.302   1.00 66.74 17 A 1 
ATOM 138 C CG2 . ILE A 1 17 ? -5.462  5.121   3.185   1.00 62.73 17 A 1 
ATOM 139 C CD1 . ILE A 1 17 ? -3.506  3.207   4.665   1.00 60.01 17 A 1 
ATOM 140 N N   . PHE A 1 18 ? -8.842  4.903   4.349   1.00 65.15 18 A 1 
ATOM 141 C CA  . PHE A 1 18 ? -10.037 5.212   3.558   1.00 64.83 18 A 1 
ATOM 142 C C   . PHE A 1 18 ? -10.906 6.297   4.197   1.00 64.10 18 A 1 
ATOM 143 O O   . PHE A 1 18 ? -11.351 7.214   3.506   1.00 63.42 18 A 1 
ATOM 144 C CB  . PHE A 1 18 ? -10.845 3.932   3.333   1.00 63.88 18 A 1 
ATOM 145 C CG  . PHE A 1 18 ? -10.219 2.991   2.333   1.00 60.37 18 A 1 
ATOM 146 C CD1 . PHE A 1 18 ? -9.938  3.436   1.031   1.00 55.27 18 A 1 
ATOM 147 C CD2 . PHE A 1 18 ? -9.920  1.669   2.699   1.00 55.41 18 A 1 
ATOM 148 C CE1 . PHE A 1 18 ? -9.357  2.568   0.101   1.00 51.29 18 A 1 
ATOM 149 C CE2 . PHE A 1 18 ? -9.338  0.798   1.765   1.00 50.84 18 A 1 
ATOM 150 C CZ  . PHE A 1 18 ? -9.052  1.248   0.469   1.00 50.52 18 A 1 
ATOM 151 N N   . LEU A 1 19 ? -11.099 6.259   5.507   1.00 63.46 19 A 1 
ATOM 152 C CA  . LEU A 1 19 ? -11.843 7.288   6.242   1.00 62.86 19 A 1 
ATOM 153 C C   . LEU A 1 19 ? -11.139 8.649   6.196   1.00 60.98 19 A 1 
ATOM 154 O O   . LEU A 1 19 ? -11.799 9.685   6.140   1.00 59.60 19 A 1 
ATOM 155 C CB  . LEU A 1 19 ? -12.029 6.830   7.700   1.00 63.30 19 A 1 
ATOM 156 C CG  . LEU A 1 19 ? -13.006 5.654   7.884   1.00 61.47 19 A 1 
ATOM 157 C CD1 . LEU A 1 19 ? -12.992 5.207   9.346   1.00 57.19 19 A 1 
ATOM 158 C CD2 . LEU A 1 19 ? -14.440 6.031   7.513   1.00 57.78 19 A 1 
ATOM 159 N N   . THR A 1 20 ? -9.807  8.668   6.193   1.00 64.37 20 A 1 
ATOM 160 C CA  . THR A 1 20 ? -9.017  9.909   6.137   1.00 62.58 20 A 1 
ATOM 161 C C   . THR A 1 20 ? -8.988  10.503  4.726   1.00 61.14 20 A 1 
ATOM 162 O O   . THR A 1 20 ? -9.030  11.722  4.563   1.00 59.53 20 A 1 
ATOM 163 C CB  . THR A 1 20 ? -7.586  9.661   6.636   1.00 61.74 20 A 1 
ATOM 164 O OG1 . THR A 1 20 ? -7.620  9.045   7.905   1.00 57.23 20 A 1 
ATOM 165 C CG2 . THR A 1 20 ? -6.808  10.963  6.806   1.00 55.30 20 A 1 
ATOM 166 N N   . MET A 1 21 ? -8.942  9.659   3.711   1.00 62.64 21 A 1 
ATOM 167 C CA  . MET A 1 21 ? -8.869  10.086  2.312   1.00 62.12 21 A 1 
ATOM 168 C C   . MET A 1 21 ? -10.175 10.679  1.779   1.00 59.93 21 A 1 
ATOM 169 O O   . MET A 1 21 ? -10.113 11.492  0.860   1.00 58.80 21 A 1 
ATOM 170 C CB  . MET A 1 21 ? -8.441  8.905   1.444   1.00 61.31 21 A 1 
ATOM 171 C CG  . MET A 1 21 ? -6.947  8.636   1.574   1.00 57.02 21 A 1 
ATOM 172 S SD  . MET A 1 21 ? -6.349  7.347   0.456   1.00 52.38 21 A 1 
ATOM 173 C CE  . MET A 1 21 ? -6.701  8.169   -1.107  1.00 48.44 21 A 1 
ATOM 174 N N   . LEU A 1 22 ? -11.334 10.321  2.334   1.00 57.31 22 A 1 
ATOM 175 C CA  . LEU A 1 22 ? -12.648 10.710  1.797   1.00 56.76 22 A 1 
ATOM 176 C C   . LEU A 1 22 ? -12.693 10.496  0.270   1.00 55.74 22 A 1 
ATOM 177 O O   . LEU A 1 22 ? -12.465 11.433  -0.502  1.00 52.65 22 A 1 
ATOM 178 C CB  . LEU A 1 22 ? -12.989 12.153  2.205   1.00 53.88 22 A 1 
ATOM 179 C CG  . LEU A 1 22 ? -13.282 12.321  3.704   1.00 50.97 22 A 1 
ATOM 180 C CD1 . LEU A 1 22 ? -13.316 13.809  4.061   1.00 47.63 22 A 1 
ATOM 181 C CD2 . LEU A 1 22 ? -14.640 11.714  4.081   1.00 47.88 22 A 1 
ATOM 182 N N   . PRO A 1 23 ? -12.925 9.247   -0.171  1.00 57.59 23 A 1 
ATOM 183 C CA  . PRO A 1 23 ? -12.696 8.835   -1.553  1.00 57.27 23 A 1 
ATOM 184 C C   . PRO A 1 23 ? -13.541 9.628   -2.559  1.00 58.02 23 A 1 
ATOM 185 O O   . PRO A 1 23 ? -14.768 9.589   -2.539  1.00 54.48 23 A 1 
ATOM 186 C CB  . PRO A 1 23 ? -12.996 7.334   -1.578  1.00 53.75 23 A 1 
ATOM 187 C CG  . PRO A 1 23 ? -13.905 7.102   -0.385  1.00 52.37 23 A 1 
ATOM 188 C CD  . PRO A 1 23 ? -13.407 8.128   0.621   1.00 53.11 23 A 1 
ATOM 189 N N   . ASP A 1 24 ? -12.861 10.309  -3.469  1.00 59.91 24 A 1 
ATOM 190 C CA  . ASP A 1 24 ? -13.433 10.953  -4.651  1.00 61.04 24 A 1 
ATOM 191 C C   . ASP A 1 24 ? -13.256 10.056  -5.890  1.00 62.09 24 A 1 
ATOM 192 O O   . ASP A 1 24 ? -12.775 8.922   -5.805  1.00 59.41 24 A 1 
ATOM 193 C CB  . ASP A 1 24 ? -12.766 12.327  -4.836  1.00 57.86 24 A 1 
ATOM 194 C CG  . ASP A 1 24 ? -13.256 13.369  -3.838  1.00 52.33 24 A 1 
ATOM 195 O OD1 . ASP A 1 24 ? -14.466 13.351  -3.530  1.00 49.31 24 A 1 
ATOM 196 O OD2 . ASP A 1 24 ? -12.437 14.224  -3.445  1.00 48.57 24 A 1 
ATOM 197 N N   . TRP A 1 25 ? -13.601 10.563  -7.079  1.00 55.39 25 A 1 
ATOM 198 C CA  . TRP A 1 25 ? -13.414 9.826   -8.345  1.00 54.55 25 A 1 
ATOM 199 C C   . TRP A 1 25 ? -11.965 9.340   -8.561  1.00 55.05 25 A 1 
ATOM 200 O O   . TRP A 1 25 ? -11.750 8.291   -9.174  1.00 52.99 25 A 1 
ATOM 201 C CB  . TRP A 1 25 ? -13.867 10.727  -9.498  1.00 52.44 25 A 1 
ATOM 202 C CG  . TRP A 1 25 ? -12.965 11.899  -9.770  1.00 50.94 25 A 1 
ATOM 203 C CD1 . TRP A 1 25 ? -12.967 13.077  -9.121  1.00 45.65 25 A 1 
ATOM 204 C CD2 . TRP A 1 25 ? -11.905 11.978  -10.779 1.00 47.52 25 A 1 
ATOM 205 N NE1 . TRP A 1 25 ? -11.973 13.897  -9.658  1.00 44.01 25 A 1 
ATOM 206 C CE2 . TRP A 1 25 ? -11.312 13.258  -10.677 1.00 45.12 25 A 1 
ATOM 207 C CE3 . TRP A 1 25 ? -11.427 11.097  -11.767 1.00 45.45 25 A 1 
ATOM 208 C CZ2 . TRP A 1 25 ? -10.259 13.660  -11.535 1.00 46.65 25 A 1 
ATOM 209 C CZ3 . TRP A 1 25 ? -10.375 11.497  -12.624 1.00 44.39 25 A 1 
ATOM 210 C CH2 . TRP A 1 25 ? -9.803  12.766  -12.504 1.00 42.85 25 A 1 
ATOM 211 N N   . LYS A 1 26 ? -10.981 10.064  -8.010  1.00 59.73 26 A 1 
ATOM 212 C CA  . LYS A 1 26 ? -9.561  9.665   -8.055  1.00 60.68 26 A 1 
ATOM 213 C C   . LYS A 1 26 ? -9.248  8.471   -7.149  1.00 60.68 26 A 1 
ATOM 214 O O   . LYS A 1 26 ? -8.217  7.827   -7.337  1.00 60.47 26 A 1 
ATOM 215 C CB  . LYS A 1 26 ? -8.664  10.855  -7.683  1.00 61.51 26 A 1 
ATOM 216 C CG  . LYS A 1 26 ? -8.711  12.001  -8.709  1.00 58.34 26 A 1 
ATOM 217 C CD  . LYS A 1 26 ? -7.691  13.085  -8.341  1.00 55.21 26 A 1 
ATOM 218 C CE  . LYS A 1 26 ? -7.707  14.235  -9.350  1.00 51.68 26 A 1 
ATOM 219 N NZ  . LYS A 1 26 ? -6.681  15.258  -9.031  1.00 47.27 26 A 1 
ATOM 220 N N   . SER A 1 27 ? -10.118 8.144   -6.204  1.00 61.54 27 A 1 
ATOM 221 C CA  . SER A 1 27 ? -9.940  7.010   -5.293  1.00 61.83 27 A 1 
ATOM 222 C C   . SER A 1 27 ? -9.775  5.683   -6.033  1.00 62.36 27 A 1 
ATOM 223 O O   . SER A 1 27 ? -9.039  4.817   -5.570  1.00 61.09 27 A 1 
ATOM 224 C CB  . SER A 1 27 ? -11.126 6.908   -4.334  1.00 61.01 27 A 1 
ATOM 225 O OG  . SER A 1 27 ? -12.300 6.490   -4.998  1.00 55.54 27 A 1 
ATOM 226 N N   . SER A 1 28 ? -10.390 5.538   -7.210  1.00 61.91 28 A 1 
ATOM 227 C CA  . SER A 1 28 ? -10.241 4.339   -8.042  1.00 62.47 28 A 1 
ATOM 228 C C   . SER A 1 28 ? -8.779  4.102   -8.450  1.00 63.03 28 A 1 
ATOM 229 O O   . SER A 1 28 ? -8.284  2.979   -8.355  1.00 62.57 28 A 1 
ATOM 230 C CB  . SER A 1 28 ? -11.133 4.478   -9.279  1.00 61.29 28 A 1 
ATOM 231 O OG  . SER A 1 28 ? -11.085 3.292   -10.045 1.00 54.89 28 A 1 
ATOM 232 N N   . LEU A 1 29 ? -8.056  5.161   -8.834  1.00 61.38 29 A 1 
ATOM 233 C CA  . LEU A 1 29 ? -6.632  5.061   -9.190  1.00 61.48 29 A 1 
ATOM 234 C C   . LEU A 1 29 ? -5.767  4.708   -7.972  1.00 61.76 29 A 1 
ATOM 235 O O   . LEU A 1 29 ? -4.848  3.897   -8.071  1.00 62.70 29 A 1 
ATOM 236 C CB  . LEU A 1 29 ? -6.163  6.390   -9.805  1.00 60.84 29 A 1 
ATOM 237 C CG  . LEU A 1 29 ? -6.778  6.709   -11.180 1.00 57.35 29 A 1 
ATOM 238 C CD1 . LEU A 1 29 ? -6.402  8.133   -11.592 1.00 52.08 29 A 1 
ATOM 239 C CD2 . LEU A 1 29 ? -6.272  5.750   -12.261 1.00 53.06 29 A 1 
ATOM 240 N N   . ILE A 1 30 ? -6.080  5.275   -6.814  1.00 64.56 30 A 1 
ATOM 241 C CA  . ILE A 1 30 ? -5.372  4.990   -5.559  1.00 64.87 30 A 1 
ATOM 242 C C   . ILE A 1 30 ? -5.599  3.530   -5.140  1.00 64.93 30 A 1 
ATOM 243 O O   . ILE A 1 30 ? -4.649  2.826   -4.798  1.00 63.71 30 A 1 
ATOM 244 C CB  . ILE A 1 30 ? -5.813  5.994   -4.477  1.00 63.84 30 A 1 
ATOM 245 C CG1 . ILE A 1 30 ? -5.418  7.430   -4.889  1.00 61.02 30 A 1 
ATOM 246 C CG2 . ILE A 1 30 ? -5.167  5.632   -3.125  1.00 58.36 30 A 1 
ATOM 247 C CD1 . ILE A 1 30 ? -6.178  8.516   -4.130  1.00 55.20 30 A 1 
ATOM 248 N N   . LEU A 1 31 ? -6.837  3.047   -5.231  1.00 64.81 31 A 1 
ATOM 249 C CA  . LEU A 1 31 ? -7.170  1.641   -4.975  1.00 64.84 31 A 1 
ATOM 250 C C   . LEU A 1 31 ? -6.418  0.701   -5.922  1.00 64.87 31 A 1 
ATOM 251 O O   . LEU A 1 31 ? -5.915  -0.335  -5.485  1.00 64.72 31 A 1 
ATOM 252 C CB  . LEU A 1 31 ? -8.690  1.458   -5.094  1.00 63.90 31 A 1 
ATOM 253 C CG  . LEU A 1 31 ? -9.437  1.937   -3.838  1.00 60.92 31 A 1 
ATOM 254 C CD1 . LEU A 1 31 ? -10.914 2.161   -4.148  1.00 56.33 31 A 1 
ATOM 255 C CD2 . LEU A 1 31 ? -9.331  0.897   -2.721  1.00 57.42 31 A 1 
ATOM 256 N N   . MET A 1 32 ? -6.268  1.078   -7.195  1.00 64.94 32 A 1 
ATOM 257 C CA  . MET A 1 32 ? -5.462  0.310   -8.148  1.00 64.94 32 A 1 
ATOM 258 C C   . MET A 1 32 ? -3.993  0.212   -7.699  1.00 64.60 32 A 1 
ATOM 259 O O   . MET A 1 32 ? -3.404  -0.869  -7.766  1.00 65.40 32 A 1 
ATOM 260 C CB  . MET A 1 32 ? -5.599  0.943   -9.537  1.00 63.68 32 A 1 
ATOM 261 C CG  . MET A 1 32 ? -5.021  0.040   -10.629 1.00 59.35 32 A 1 
ATOM 262 S SD  . MET A 1 32 ? -5.257  0.709   -12.295 1.00 53.68 32 A 1 
ATOM 263 C CE  . MET A 1 32 ? -4.582  -0.654  -13.274 1.00 48.72 32 A 1 
ATOM 264 N N   . ALA A 1 33 ? -3.413  1.299   -7.168  1.00 65.14 33 A 1 
ATOM 265 C CA  . ALA A 1 33 ? -2.056  1.276   -6.624  1.00 64.88 33 A 1 
ATOM 266 C C   . ALA A 1 33 ? -1.937  0.341   -5.403  1.00 64.54 33 A 1 
ATOM 267 O O   . ALA A 1 33 ? -0.967  -0.409  -5.300  1.00 63.19 33 A 1 
ATOM 268 C CB  . ALA A 1 33 ? -1.631  2.708   -6.295  1.00 64.16 33 A 1 
ATOM 269 N N   . TYR A 1 34 ? -2.947  0.309   -4.519  1.00 64.96 34 A 1 
ATOM 270 C CA  . TYR A 1 34 ? -2.981  -0.659  -3.415  1.00 65.86 34 A 1 
ATOM 271 C C   . TYR A 1 34 ? -3.038  -2.109  -3.912  1.00 66.46 34 A 1 
ATOM 272 O O   . TYR A 1 34 ? -2.342  -2.971  -3.380  1.00 67.52 34 A 1 
ATOM 273 C CB  . TYR A 1 34 ? -4.166  -0.381  -2.493  1.00 65.60 34 A 1 
ATOM 274 C CG  . TYR A 1 34 ? -3.942  0.771   -1.546  1.00 61.73 34 A 1 
ATOM 275 C CD1 . TYR A 1 34 ? -3.029  0.641   -0.486  1.00 56.62 34 A 1 
ATOM 276 C CD2 . TYR A 1 34 ? -4.672  1.963   -1.704  1.00 56.53 34 A 1 
ATOM 277 C CE1 . TYR A 1 34 ? -2.855  1.696   0.419   1.00 52.78 34 A 1 
ATOM 278 C CE2 . TYR A 1 34 ? -4.500  3.021   -0.800  1.00 52.47 34 A 1 
ATOM 279 C CZ  . TYR A 1 34 ? -3.596  2.882   0.263   1.00 52.89 34 A 1 
ATOM 280 O OH  . TYR A 1 34 ? -3.464  3.904   1.154   1.00 51.86 34 A 1 
ATOM 281 N N   . ILE A 1 35 ? -3.818  -2.389  -4.956  1.00 66.23 35 A 1 
ATOM 282 C CA  . ILE A 1 35 ? -3.870  -3.721  -5.573  1.00 66.33 35 A 1 
ATOM 283 C C   . ILE A 1 35 ? -2.475  -4.133  -6.066  1.00 64.68 35 A 1 
ATOM 284 O O   . ILE A 1 35 ? -2.061  -5.268  -5.834  1.00 63.72 35 A 1 
ATOM 285 C CB  . ILE A 1 35 ? -4.923  -3.755  -6.702  1.00 66.52 35 A 1 
ATOM 286 C CG1 . ILE A 1 35 ? -6.347  -3.627  -6.113  1.00 65.35 35 A 1 
ATOM 287 C CG2 . ILE A 1 35 ? -4.820  -5.055  -7.526  1.00 62.29 35 A 1 
ATOM 288 C CD1 . ILE A 1 35 ? -7.418  -3.294  -7.155  1.00 59.29 35 A 1 
ATOM 289 N N   . ILE A 1 36 ? -1.717  -3.215  -6.679  1.00 66.07 36 A 1 
ATOM 290 C CA  . ILE A 1 36 ? -0.339  -3.483  -7.127  1.00 64.40 36 A 1 
ATOM 291 C C   . ILE A 1 36 ? 0.559   -3.866  -5.938  1.00 63.22 36 A 1 
ATOM 292 O O   . ILE A 1 36 ? 1.326   -4.825  -6.035  1.00 61.33 36 A 1 
ATOM 293 C CB  . ILE A 1 36 ? 0.231   -2.281  -7.917  1.00 63.75 36 A 1 
ATOM 294 C CG1 . ILE A 1 36 ? -0.553  -2.072  -9.234  1.00 61.39 36 A 1 
ATOM 295 C CG2 . ILE A 1 36 ? 1.726   -2.481  -8.242  1.00 58.03 36 A 1 
ATOM 296 C CD1 . ILE A 1 36 ? -0.310  -0.704  -9.884  1.00 54.98 36 A 1 
ATOM 297 N N   . ILE A 1 37 ? 0.442   -3.176  -4.803  1.00 67.17 37 A 1 
ATOM 298 C CA  . ILE A 1 37 ? 1.190   -3.530  -3.583  1.00 66.16 37 A 1 
ATOM 299 C C   . ILE A 1 37 ? 0.848   -4.959  -3.142  1.00 65.05 37 A 1 
ATOM 300 O O   . ILE A 1 37 ? 1.751   -5.762  -2.919  1.00 63.04 37 A 1 
ATOM 301 C CB  . ILE A 1 37 ? 0.931   -2.519  -2.444  1.00 65.44 37 A 1 
ATOM 302 C CG1 . ILE A 1 37 ? 1.503   -1.140  -2.811  1.00 62.81 37 A 1 
ATOM 303 C CG2 . ILE A 1 37 ? 1.559   -3.006  -1.116  1.00 59.02 37 A 1 
ATOM 304 C CD1 . ILE A 1 37 ? 1.081   -0.032  -1.848  1.00 56.62 37 A 1 
ATOM 305 N N   . PHE A 1 38 ? -0.444  -5.295  -3.053  1.00 62.43 38 A 1 
ATOM 306 C CA  . PHE A 1 38 ? -0.877  -6.628  -2.628  1.00 61.85 38 A 1 
ATOM 307 C C   . PHE A 1 38 ? -0.382  -7.735  -3.555  1.00 61.19 38 A 1 
ATOM 308 O O   . PHE A 1 38 ? 0.111   -8.760  -3.082  1.00 60.47 38 A 1 
ATOM 309 C CB  . PHE A 1 38 ? -2.404  -6.670  -2.508  1.00 60.76 38 A 1 
ATOM 310 C CG  . PHE A 1 38 ? -2.925  -5.944  -1.294  1.00 57.20 38 A 1 
ATOM 311 C CD1 . PHE A 1 38 ? -2.489  -6.326  -0.017  1.00 52.41 38 A 1 
ATOM 312 C CD2 . PHE A 1 38 ? -3.832  -4.883  -1.441  1.00 52.45 38 A 1 
ATOM 313 C CE1 . PHE A 1 38 ? -2.945  -5.640  1.114   1.00 48.73 38 A 1 
ATOM 314 C CE2 . PHE A 1 38 ? -4.290  -4.194  -0.304  1.00 48.38 38 A 1 
ATOM 315 C CZ  . PHE A 1 38 ? -3.840  -4.567  0.968   1.00 48.60 38 A 1 
ATOM 316 N N   . LEU A 1 39 ? -0.455  -7.518  -4.858  1.00 61.67 39 A 1 
ATOM 317 C CA  . LEU A 1 39 ? 0.056   -8.470  -5.846  1.00 60.89 39 A 1 
ATOM 318 C C   . LEU A 1 39 ? 1.578   -8.634  -5.752  1.00 59.56 39 A 1 
ATOM 319 O O   . LEU A 1 39 ? 2.096   -9.731  -5.964  1.00 58.14 39 A 1 
ATOM 320 C CB  . LEU A 1 39 ? -0.348  -8.000  -7.253  1.00 61.03 39 A 1 
ATOM 321 C CG  . LEU A 1 39 ? -1.858  -8.111  -7.549  1.00 59.04 39 A 1 
ATOM 322 C CD1 . LEU A 1 39 ? -2.148  -7.483  -8.914  1.00 55.20 39 A 1 
ATOM 323 C CD2 . LEU A 1 39 ? -2.335  -9.563  -7.577  1.00 55.53 39 A 1 
ATOM 324 N N   . THR A 1 40 ? 2.302   -7.562  -5.409  1.00 61.21 40 A 1 
ATOM 325 C CA  . THR A 1 40 ? 3.767   -7.597  -5.274  1.00 59.22 40 A 1 
ATOM 326 C C   . THR A 1 40 ? 4.205   -8.265  -3.970  1.00 57.77 40 A 1 
ATOM 327 O O   . THR A 1 40 ? 5.162   -9.043  -3.958  1.00 56.26 40 A 1 
ATOM 328 C CB  . THR A 1 40 ? 4.353   -6.180  -5.363  1.00 58.47 40 A 1 
ATOM 329 O OG1 . THR A 1 40 ? 3.907   -5.548  -6.538  1.00 53.99 40 A 1 
ATOM 330 C CG2 . THR A 1 40 ? 5.881   -6.206  -5.433  1.00 52.17 40 A 1 
ATOM 331 N N   . MET A 1 41 ? 3.504   -7.988  -2.875  1.00 60.80 41 A 1 
ATOM 332 C CA  . MET A 1 41 ? 3.821   -8.559  -1.565  1.00 60.01 41 A 1 
ATOM 333 C C   . MET A 1 41 ? 3.459   -10.042 -1.466  1.00 57.91 41 A 1 
ATOM 334 O O   . MET A 1 41 ? 4.144   -10.777 -0.759  1.00 56.60 41 A 1 
ATOM 335 C CB  . MET A 1 41 ? 3.121   -7.764  -0.456  1.00 59.05 41 A 1 
ATOM 336 C CG  . MET A 1 41 ? 3.764   -6.394  -0.254  1.00 54.68 41 A 1 
ATOM 337 S SD  . MET A 1 41 ? 3.175   -5.518  1.215   1.00 50.46 41 A 1 
ATOM 338 C CE  . MET A 1 41 ? 3.994   -6.489  2.499   1.00 46.89 41 A 1 
ATOM 339 N N   . LEU A 1 42 ? 2.405   -10.484 -2.164  1.00 56.83 42 A 1 
ATOM 340 C CA  . LEU A 1 42 ? 1.896   -11.862 -2.097  1.00 56.34 42 A 1 
ATOM 341 C C   . LEU A 1 42 ? 1.841   -12.376 -0.641  1.00 55.35 42 A 1 
ATOM 342 O O   . LEU A 1 42 ? 2.581   -13.302 -0.284  1.00 52.10 42 A 1 
ATOM 343 C CB  . LEU A 1 42 ? 2.710   -12.775 -3.036  1.00 53.56 42 A 1 
ATOM 344 C CG  . LEU A 1 42 ? 2.494   -12.489 -4.534  1.00 50.80 42 A 1 
ATOM 345 C CD1 . LEU A 1 42 ? 3.567   -13.212 -5.353  1.00 47.53 42 A 1 
ATOM 346 C CD2 . LEU A 1 42 ? 1.123   -12.987 -5.004  1.00 48.06 42 A 1 
ATOM 347 N N   . PRO A 1 43 ? 0.997   -11.750 0.222   1.00 56.86 43 A 1 
ATOM 348 C CA  . PRO A 1 43 ? 0.821   -12.220 1.592   1.00 56.69 43 A 1 
ATOM 349 C C   . PRO A 1 43 ? 0.181   -13.616 1.621   1.00 57.50 43 A 1 
ATOM 350 O O   . PRO A 1 43 ? -0.190  -14.175 0.584   1.00 54.43 43 A 1 
ATOM 351 C CB  . PRO A 1 43 ? -0.045  -11.153 2.270   1.00 53.84 43 A 1 
ATOM 352 C CG  . PRO A 1 43 ? -0.877  -10.587 1.129   1.00 52.12 43 A 1 
ATOM 353 C CD  . PRO A 1 43 ? 0.088   -10.644 -0.049  1.00 52.69 43 A 1 
ATOM 354 N N   . ASP A 1 44 ? 0.049   -14.182 2.820   1.00 60.73 44 A 1 
ATOM 355 C CA  . ASP A 1 44 ? -0.584  -15.491 3.003   1.00 62.20 44 A 1 
ATOM 356 C C   . ASP A 1 44 ? -1.949  -15.547 2.300   1.00 63.63 44 A 1 
ATOM 357 O O   . ASP A 1 44 ? -2.719  -14.583 2.318   1.00 61.41 44 A 1 
ATOM 358 C CB  . ASP A 1 44 ? -0.745  -15.803 4.497   1.00 59.68 44 A 1 
ATOM 359 C CG  . ASP A 1 44 ? 0.576   -16.104 5.205   1.00 54.40 44 A 1 
ATOM 360 O OD1 . ASP A 1 44 ? 1.452   -16.737 4.573   1.00 50.93 44 A 1 
ATOM 361 O OD2 . ASP A 1 44 ? 0.691   -15.746 6.393   1.00 50.57 44 A 1 
ATOM 362 N N   . TRP A 1 45 ? -2.280  -16.699 1.722   1.00 58.62 45 A 1 
ATOM 363 C CA  . TRP A 1 45 ? -3.489  -16.921 0.909   1.00 58.06 45 A 1 
ATOM 364 C C   . TRP A 1 45 ? -4.762  -16.326 1.528   1.00 58.24 45 A 1 
ATOM 365 O O   . TRP A 1 45 ? -5.503  -15.596 0.867   1.00 56.67 45 A 1 
ATOM 366 C CB  . TRP A 1 45 ? -3.651  -18.437 0.718   1.00 56.88 45 A 1 
ATOM 367 C CG  . TRP A 1 45 ? -4.860  -18.844 -0.069  1.00 54.89 45 A 1 
ATOM 368 C CD1 . TRP A 1 45 ? -6.100  -19.005 0.417   1.00 49.41 45 A 1 
ATOM 369 C CD2 . TRP A 1 45 ? -4.939  -19.122 -1.510  1.00 51.70 45 A 1 
ATOM 370 N NE1 . TRP A 1 45 ? -6.962  -19.369 -0.625  1.00 47.57 45 A 1 
ATOM 371 C CE2 . TRP A 1 45 ? -6.282  -19.451 -1.810  1.00 48.96 45 A 1 
ATOM 372 C CE3 . TRP A 1 45 ? -3.996  -19.138 -2.554  1.00 48.74 45 A 1 
ATOM 373 C CZ2 . TRP A 1 45 ? -6.693  -19.775 -3.128  1.00 50.45 45 A 1 
ATOM 374 C CZ3 . TRP A 1 45 ? -4.404  -19.463 -3.869  1.00 48.11 45 A 1 
ATOM 375 C CH2 . TRP A 1 45 ? -5.740  -19.776 -4.150  1.00 46.79 45 A 1 
ATOM 376 N N   . LYS A 1 46 ? -5.008  -16.593 2.818   1.00 61.65 46 A 1 
ATOM 377 C CA  . LYS A 1 46 ? -6.197  -16.091 3.528   1.00 62.10 46 A 1 
ATOM 378 C C   . LYS A 1 46 ? -6.180  -14.567 3.661   1.00 61.70 46 A 1 
ATOM 379 O O   . LYS A 1 46 ? -7.187  -13.920 3.394   1.00 61.55 46 A 1 
ATOM 380 C CB  . LYS A 1 46 ? -6.298  -16.732 4.918   1.00 63.29 46 A 1 
ATOM 381 C CG  . LYS A 1 46 ? -6.636  -18.234 4.880   1.00 60.28 46 A 1 
ATOM 382 C CD  . LYS A 1 46 ? -6.820  -18.717 6.325   1.00 57.10 46 A 1 
ATOM 383 C CE  . LYS A 1 46 ? -7.194  -20.194 6.417   1.00 53.09 46 A 1 
ATOM 384 N NZ  . LYS A 1 46 ? -7.390  -20.573 7.838   1.00 48.95 46 A 1 
ATOM 385 N N   . SER A 1 47 ? -5.049  -13.980 4.034   1.00 61.54 47 A 1 
ATOM 386 C CA  . SER A 1 47 ? -4.887  -12.529 4.184   1.00 61.50 47 A 1 
ATOM 387 C C   . SER A 1 47 ? -5.099  -11.810 2.844   1.00 61.72 47 A 1 
ATOM 388 O O   . SER A 1 47 ? -5.823  -10.819 2.778   1.00 60.31 47 A 1 
ATOM 389 C CB  . SER A 1 47 ? -3.492  -12.232 4.750   1.00 60.87 47 A 1 
ATOM 390 O OG  . SER A 1 47 ? -3.320  -10.844 4.945   1.00 55.27 47 A 1 
ATOM 391 N N   . SER A 1 48 ? -4.543  -12.351 1.762   1.00 61.95 48 A 1 
ATOM 392 C CA  . SER A 1 48 ? -4.702  -11.806 0.413   1.00 62.01 48 A 1 
ATOM 393 C C   . SER A 1 48 ? -6.171  -11.787 -0.029  1.00 62.28 48 A 1 
ATOM 394 O O   . SER A 1 48 ? -6.653  -10.765 -0.506  1.00 61.80 48 A 1 
ATOM 395 C CB  . SER A 1 48 ? -3.854  -12.623 -0.563  1.00 60.59 48 A 1 
ATOM 396 O OG  . SER A 1 48 ? -3.905  -12.041 -1.848  1.00 54.34 48 A 1 
ATOM 397 N N   . LEU A 1 49 ? -6.910  -12.877 0.184   1.00 64.84 49 A 1 
ATOM 398 C CA  . LEU A 1 49 ? -8.330  -12.966 -0.184  1.00 65.12 49 A 1 
ATOM 399 C C   . LEU A 1 49 ? -9.198  -11.978 0.605   1.00 64.87 49 A 1 
ATOM 400 O O   . LEU A 1 49 ? -10.055 -11.320 0.018   1.00 66.79 49 A 1 
ATOM 401 C CB  . LEU A 1 49 ? -8.832  -14.401 0.029   1.00 65.20 49 A 1 
ATOM 402 C CG  . LEU A 1 49 ? -8.337  -15.412 -1.023  1.00 62.13 49 A 1 
ATOM 403 C CD1 . LEU A 1 49 ? -8.785  -16.816 -0.607  1.00 55.92 49 A 1 
ATOM 404 C CD2 . LEU A 1 49 ? -8.910  -15.123 -2.410  1.00 57.88 49 A 1 
ATOM 405 N N   . ILE A 1 50 ? -8.979  -11.832 1.906   1.00 66.87 50 A 1 
ATOM 406 C CA  . ILE A 1 50 ? -9.741  -10.903 2.759   1.00 67.43 50 A 1 
ATOM 407 C C   . ILE A 1 50 ? -9.502  -9.452  2.311   1.00 67.23 50 A 1 
ATOM 408 O O   . ILE A 1 50 ? -10.452 -8.687  2.144   1.00 66.43 50 A 1 
ATOM 409 C CB  . ILE A 1 50 ? -9.378  -11.119 4.244   1.00 67.29 50 A 1 
ATOM 410 C CG1 . ILE A 1 50 ? -9.851  -12.508 4.732   1.00 65.39 50 A 1 
ATOM 411 C CG2 . ILE A 1 50 ? -10.016 -10.028 5.132   1.00 62.69 50 A 1 
ATOM 412 C CD1 . ILE A 1 50 ? -9.197  -12.940 6.057   1.00 58.93 50 A 1 
ATOM 413 N N   . LEU A 1 51 ? -8.255  -9.076  2.068   1.00 65.94 51 A 1 
ATOM 414 C CA  . LEU A 1 51 ? -7.898  -7.730  1.609   1.00 65.34 51 A 1 
ATOM 415 C C   . LEU A 1 51 ? -8.451  -7.439  0.207   1.00 64.99 51 A 1 
ATOM 416 O O   . LEU A 1 51 ? -8.988  -6.358  -0.034  1.00 64.73 51 A 1 
ATOM 417 C CB  . LEU A 1 51 ? -6.369  -7.586  1.651   1.00 64.25 51 A 1 
ATOM 418 C CG  . LEU A 1 51 ? -5.833  -7.400  3.077   1.00 61.10 51 A 1 
ATOM 419 C CD1 . LEU A 1 51 ? -4.335  -7.687  3.133   1.00 56.32 51 A 1 
ATOM 420 C CD2 . LEU A 1 51 ? -6.070  -5.968  3.565   1.00 57.48 51 A 1 
ATOM 421 N N   . MET A 1 52 ? -8.386  -8.402  -0.712  1.00 66.19 52 A 1 
ATOM 422 C CA  . MET A 1 52 ? -8.955  -8.266  -2.055  1.00 65.93 52 A 1 
ATOM 423 C C   . MET A 1 52 ? -10.477 -8.090  -2.000  1.00 65.11 52 A 1 
ATOM 424 O O   . MET A 1 52 ? -11.017 -7.213  -2.673  1.00 66.03 52 A 1 
ATOM 425 C CB  . MET A 1 52 ? -8.557  -9.486  -2.894  1.00 64.61 52 A 1 
ATOM 426 C CG  . MET A 1 52 ? -8.901  -9.291  -4.372  1.00 60.63 52 A 1 
ATOM 427 S SD  . MET A 1 52 ? -8.370  -10.676 -5.408  1.00 55.18 52 A 1 
ATOM 428 C CE  . MET A 1 52 ? -8.765  -10.008 -7.042  1.00 50.16 52 A 1 
ATOM 429 N N   . ALA A 1 53 ? -11.173 -8.852  -1.158  1.00 66.60 53 A 1 
ATOM 430 C CA  . ALA A 1 53 ? -12.614 -8.709  -0.953  1.00 66.75 53 A 1 
ATOM 431 C C   . ALA A 1 53 ? -12.970 -7.314  -0.416  1.00 66.06 53 A 1 
ATOM 432 O O   . ALA A 1 53 ? -13.905 -6.691  -0.914  1.00 65.32 53 A 1 
ATOM 433 C CB  . ALA A 1 53 ? -13.094 -9.814  -0.005  1.00 67.22 53 A 1 
ATOM 434 N N   . TYR A 1 54 ? -12.196 -6.784  0.536   1.00 63.75 54 A 1 
ATOM 435 C CA  . TYR A 1 54 ? -12.408 -5.430  1.066   1.00 64.91 54 A 1 
ATOM 436 C C   . TYR A 1 54 ? -12.261 -4.363  -0.027  1.00 64.84 54 A 1 
ATOM 437 O O   . TYR A 1 54 ? -13.113 -3.484  -0.150  1.00 66.37 54 A 1 
ATOM 438 C CB  . TYR A 1 54 ? -11.439 -5.175  2.223   1.00 65.29 54 A 1 
ATOM 439 C CG  . TYR A 1 54 ? -11.738 -3.873  2.934   1.00 61.94 54 A 1 
ATOM 440 C CD1 . TYR A 1 54 ? -11.119 -2.676  2.533   1.00 57.22 54 A 1 
ATOM 441 C CD2 . TYR A 1 54 ? -12.702 -3.845  3.962   1.00 57.60 54 A 1 
ATOM 442 C CE1 . TYR A 1 54 ? -11.458 -1.460  3.149   1.00 54.06 54 A 1 
ATOM 443 C CE2 . TYR A 1 54 ? -13.046 -2.629  4.582   1.00 53.88 54 A 1 
ATOM 444 C CZ  . TYR A 1 54 ? -12.427 -1.438  4.167   1.00 53.70 54 A 1 
ATOM 445 O OH  . TYR A 1 54 ? -12.776 -0.255  4.757   1.00 52.77 54 A 1 
ATOM 446 N N   . ILE A 1 55 ? -11.233 -4.452  -0.864  1.00 65.51 55 A 1 
ATOM 447 C CA  . ILE A 1 55 ? -11.011 -3.523  -1.982  1.00 64.58 55 A 1 
ATOM 448 C C   . ILE A 1 55 ? -12.168 -3.591  -2.989  1.00 62.57 55 A 1 
ATOM 449 O O   . ILE A 1 55 ? -12.649 -2.554  -3.435  1.00 61.38 55 A 1 
ATOM 450 C CB  . ILE A 1 55 ? -9.651  -3.816  -2.652  1.00 64.39 55 A 1 
ATOM 451 C CG1 . ILE A 1 55 ? -8.490  -3.455  -1.693  1.00 63.78 55 A 1 
ATOM 452 C CG2 . ILE A 1 55 ? -9.497  -3.027  -3.967  1.00 60.45 55 A 1 
ATOM 453 C CD1 . ILE A 1 55 ? -7.153  -4.073  -2.109  1.00 57.84 55 A 1 
ATOM 454 N N   . ILE A 1 56 ? -12.648 -4.783  -3.332  1.00 62.44 56 A 1 
ATOM 455 C CA  . ILE A 1 56 ? -13.783 -4.965  -4.251  1.00 61.38 56 A 1 
ATOM 456 C C   . ILE A 1 56 ? -15.051 -4.321  -3.680  1.00 60.06 56 A 1 
ATOM 457 O O   . ILE A 1 56 ? -15.718 -3.577  -4.390  1.00 58.76 56 A 1 
ATOM 458 C CB  . ILE A 1 56 ? -13.993 -6.463  -4.574  1.00 61.39 56 A 1 
ATOM 459 C CG1 . ILE A 1 56 ? -12.819 -6.999  -5.424  1.00 61.13 56 A 1 
ATOM 460 C CG2 . ILE A 1 56 ? -15.323 -6.692  -5.324  1.00 57.97 56 A 1 
ATOM 461 C CD1 . ILE A 1 56 ? -12.752 -8.530  -5.478  1.00 54.89 56 A 1 
ATOM 462 N N   . ILE A 1 57 ? -15.366 -4.546  -2.412  1.00 62.29 57 A 1 
ATOM 463 C CA  . ILE A 1 57 ? -16.523 -3.932  -1.739  1.00 62.31 57 A 1 
ATOM 464 C C   . ILE A 1 57 ? -16.420 -2.402  -1.772  1.00 60.82 57 A 1 
ATOM 465 O O   . ILE A 1 57 ? -17.416 -1.723  -1.981  1.00 59.75 57 A 1 
ATOM 466 C CB  . ILE A 1 57 ? -16.647 -4.459  -0.290  1.00 63.64 57 A 1 
ATOM 467 C CG1 . ILE A 1 57 ? -17.053 -5.951  -0.292  1.00 64.13 57 A 1 
ATOM 468 C CG2 . ILE A 1 57 ? -17.679 -3.649  0.527   1.00 61.05 57 A 1 
ATOM 469 C CD1 . ILE A 1 57 ? -16.800 -6.646  1.053   1.00 58.38 57 A 1 
ATOM 470 N N   . PHE A 1 58 ? -15.227 -1.853  -1.614  1.00 57.32 58 A 1 
ATOM 471 C CA  . PHE A 1 58 ? -15.017 -0.403  -1.628  1.00 57.06 58 A 1 
ATOM 472 C C   . PHE A 1 58 ? -15.116 0.205   -3.038  1.00 55.56 58 A 1 
ATOM 473 O O   . PHE A 1 58 ? -15.463 1.373   -3.185  1.00 54.99 58 A 1 
ATOM 474 C CB  . PHE A 1 58 ? -13.665 -0.097  -0.974  1.00 56.26 58 A 1 
ATOM 475 C CG  . PHE A 1 58 ? -13.664 1.252   -0.300  1.00 53.80 58 A 1 
ATOM 476 C CD1 . PHE A 1 58 ? -13.361 2.414   -1.024  1.00 49.65 58 A 1 
ATOM 477 C CD2 . PHE A 1 58 ? -14.029 1.343   1.058   1.00 50.86 58 A 1 
ATOM 478 C CE1 . PHE A 1 58 ? -13.424 3.670   -0.394  1.00 48.06 58 A 1 
ATOM 479 C CE2 . PHE A 1 58 ? -14.089 2.596   1.690   1.00 47.06 58 A 1 
ATOM 480 C CZ  . PHE A 1 58 ? -13.791 3.757   0.962   1.00 46.58 58 A 1 
ATOM 481 N N   . LEU A 1 59 ? -14.817 -0.573  -4.074  1.00 59.03 59 A 1 
ATOM 482 C CA  . LEU A 1 59 ? -14.916 -0.146  -5.478  1.00 58.33 59 A 1 
ATOM 483 C C   . LEU A 1 59 ? -16.353 -0.201  -6.018  1.00 56.03 59 A 1 
ATOM 484 O O   . LEU A 1 59 ? -16.673 0.533   -6.955  1.00 54.38 59 A 1 
ATOM 485 C CB  . LEU A 1 59 ? -13.996 -1.032  -6.335  1.00 58.10 59 A 1 
ATOM 486 C CG  . LEU A 1 59 ? -12.499 -0.683  -6.222  1.00 56.20 59 A 1 
ATOM 487 C CD1 . LEU A 1 59 ? -11.663 -1.773  -6.900  1.00 52.32 59 A 1 
ATOM 488 C CD2 . LEU A 1 59 ? -12.183 0.646   -6.910  1.00 52.68 59 A 1 
ATOM 489 N N   . THR A 1 60 ? -17.202 -1.062  -5.479  1.00 61.23 60 A 1 
ATOM 490 C CA  . THR A 1 60 ? -18.608 -1.242  -5.898  1.00 60.71 60 A 1 
ATOM 491 C C   . THR A 1 60 ? -19.561 -0.456  -5.012  1.00 56.31 60 A 1 
ATOM 492 O O   . THR A 1 60 ? -20.504 0.148   -5.571  1.00 54.10 60 A 1 
ATOM 493 C CB  . THR A 1 60 ? -19.012 -2.724  -5.879  1.00 56.37 60 A 1 
ATOM 494 O OG1 . THR A 1 60 ? -18.772 -3.297  -4.601  1.00 51.00 60 A 1 
ATOM 495 C CG2 . THR A 1 60 ? -18.235 -3.531  -6.918  1.00 51.52 60 A 1 
ATOM 496 O OXT . THR A 1 60 ? -19.382 -0.468  -3.788  1.00 52.43 60 A 1 
ATOM 497 N N   . MET B 2 1  ? 10.130  -14.386 3.151   1.00 47.72 1  B 1 
ATOM 498 C CA  . MET B 2 1  ? 11.381  -13.608 3.012   1.00 52.76 1  B 1 
ATOM 499 C C   . MET B 2 1  ? 11.298  -12.817 1.710   1.00 54.23 1  B 1 
ATOM 500 O O   . MET B 2 1  ? 11.211  -13.419 0.647   1.00 51.59 1  B 1 
ATOM 501 C CB  . MET B 2 1  ? 12.582  -14.566 3.052   1.00 50.96 1  B 1 
ATOM 502 C CG  . MET B 2 1  ? 13.897  -13.871 3.398   1.00 46.54 1  B 1 
ATOM 503 S SD  . MET B 2 1  ? 15.233  -15.085 3.645   1.00 41.73 1  B 1 
ATOM 504 C CE  . MET B 2 1  ? 16.561  -13.992 4.190   1.00 37.99 1  B 1 
ATOM 505 N N   . LEU B 2 2  ? 11.232  -11.483 1.792   1.00 50.28 2  B 1 
ATOM 506 C CA  . LEU B 2 2  ? 11.152  -10.605 0.619   1.00 52.47 2  B 1 
ATOM 507 C C   . LEU B 2 2  ? 12.581  -10.212 0.211   1.00 53.03 2  B 1 
ATOM 508 O O   . LEU B 2 2  ? 13.238  -9.472  0.948   1.00 50.27 2  B 1 
ATOM 509 C CB  . LEU B 2 2  ? 10.279  -9.378  0.939   1.00 50.99 2  B 1 
ATOM 510 C CG  . LEU B 2 2  ? 8.772   -9.681  0.986   1.00 47.55 2  B 1 
ATOM 511 C CD1 . LEU B 2 2  ? 8.022   -8.546  1.689   1.00 44.89 2  B 1 
ATOM 512 C CD2 . LEU B 2 2  ? 8.189   -9.832  -0.423  1.00 44.16 2  B 1 
ATOM 513 N N   . PRO B 2 3  ? 13.091  -10.705 -0.926  1.00 49.81 3  B 1 
ATOM 514 C CA  . PRO B 2 3  ? 14.407  -10.303 -1.407  1.00 51.67 3  B 1 
ATOM 515 C C   . PRO B 2 3  ? 14.412  -8.821  -1.817  1.00 54.04 3  B 1 
ATOM 516 O O   . PRO B 2 3  ? 13.364  -8.247  -2.133  1.00 50.42 3  B 1 
ATOM 517 C CB  . PRO B 2 3  ? 14.712  -11.252 -2.573  1.00 48.65 3  B 1 
ATOM 518 C CG  . PRO B 2 3  ? 13.338  -11.640 -3.103  1.00 46.56 3  B 1 
ATOM 519 C CD  . PRO B 2 3  ? 12.463  -11.640 -1.856  1.00 47.67 3  B 1 
ATOM 520 N N   . ASP B 2 4  ? 15.601  -8.211  -1.862  1.00 57.57 4  B 1 
ATOM 521 C CA  . ASP B 2 4  ? 15.784  -6.767  -2.088  1.00 61.11 4  B 1 
ATOM 522 C C   . ASP B 2 4  ? 15.084  -6.262  -3.369  1.00 62.60 4  B 1 
ATOM 523 O O   . ASP B 2 4  ? 14.495  -5.178  -3.379  1.00 60.70 4  B 1 
ATOM 524 C CB  . ASP B 2 4  ? 17.293  -6.454  -2.139  1.00 58.80 4  B 1 
ATOM 525 C CG  . ASP B 2 4  ? 18.040  -6.725  -0.823  1.00 52.59 4  B 1 
ATOM 526 O OD1 . ASP B 2 4  ? 17.438  -6.550  0.261   1.00 49.11 4  B 1 
ATOM 527 O OD2 . ASP B 2 4  ? 19.226  -7.106  -0.887  1.00 47.90 4  B 1 
ATOM 528 N N   . TRP B 2 5  ? 15.066  -7.069  -4.436  1.00 58.59 5  B 1 
ATOM 529 C CA  . TRP B 2 5  ? 14.381  -6.694  -5.684  1.00 59.88 5  B 1 
ATOM 530 C C   . TRP B 2 5  ? 12.854  -6.604  -5.522  1.00 60.69 5  B 1 
ATOM 531 O O   . TRP B 2 5  ? 12.231  -5.729  -6.127  1.00 59.13 5  B 1 
ATOM 532 C CB  . TRP B 2 5  ? 14.775  -7.680  -6.789  1.00 58.89 5  B 1 
ATOM 533 C CG  . TRP B 2 5  ? 14.291  -9.092  -6.601  1.00 56.41 5  B 1 
ATOM 534 C CD1 . TRP B 2 5  ? 14.957  -10.082 -5.974  1.00 51.14 5  B 1 
ATOM 535 C CD2 . TRP B 2 5  ? 13.030  -9.677  -7.076  1.00 54.00 5  B 1 
ATOM 536 N NE1 . TRP B 2 5  ? 14.193  -11.252 -6.024  1.00 50.16 5  B 1 
ATOM 537 C CE2 . TRP B 2 5  ? 13.017  -11.040 -6.696  1.00 52.18 5  B 1 
ATOM 538 C CE3 . TRP B 2 5  ? 11.943  -9.180  -7.806  1.00 51.11 5  B 1 
ATOM 539 C CZ2 . TRP B 2 5  ? 11.937  -11.899 -7.031  1.00 53.17 5  B 1 
ATOM 540 C CZ3 . TRP B 2 5  ? 10.856  -10.032 -8.135  1.00 50.37 5  B 1 
ATOM 541 C CH2 . TRP B 2 5  ? 10.867  -11.375 -7.748  1.00 49.15 5  B 1 
ATOM 542 N N   . LYS B 2 6  ? 12.238  -7.443  -4.691  1.00 59.63 6  B 1 
ATOM 543 C CA  . LYS B 2 6  ? 10.793  -7.357  -4.408  1.00 61.38 6  B 1 
ATOM 544 C C   . LYS B 2 6  ? 10.471  -6.108  -3.584  1.00 61.42 6  B 1 
ATOM 545 O O   . LYS B 2 6  ? 9.470   -5.455  -3.861  1.00 61.29 6  B 1 
ATOM 546 C CB  . LYS B 2 6  ? 10.279  -8.611  -3.688  1.00 61.83 6  B 1 
ATOM 547 C CG  . LYS B 2 6  ? 10.195  -9.845  -4.600  1.00 58.06 6  B 1 
ATOM 548 C CD  . LYS B 2 6  ? 9.404   -10.969 -3.907  1.00 54.73 6  B 1 
ATOM 549 C CE  . LYS B 2 6  ? 9.298   -12.207 -4.802  1.00 50.53 6  B 1 
ATOM 550 N NZ  . LYS B 2 6  ? 8.386   -13.235 -4.229  1.00 47.10 6  B 1 
ATOM 551 N N   . SER B 2 7  ? 11.318  -5.729  -2.636  1.00 63.95 7  B 1 
ATOM 552 C CA  . SER B 2 7  ? 11.134  -4.498  -1.859  1.00 64.75 7  B 1 
ATOM 553 C C   . SER B 2 7  ? 11.183  -3.250  -2.750  1.00 64.90 7  B 1 
ATOM 554 O O   . SER B 2 7  ? 10.419  -2.315  -2.526  1.00 63.08 7  B 1 
ATOM 555 C CB  . SER B 2 7  ? 12.164  -4.407  -0.728  1.00 63.66 7  B 1 
ATOM 556 O OG  . SER B 2 7  ? 13.469  -4.156  -1.204  1.00 57.29 7  B 1 
ATOM 557 N N   . SER B 2 8  ? 11.984  -3.255  -3.808  1.00 63.66 8  B 1 
ATOM 558 C CA  . SER B 2 8  ? 12.030  -2.172  -4.800  1.00 64.66 8  B 1 
ATOM 559 C C   . SER B 2 8  ? 10.700  -2.021  -5.554  1.00 65.03 8  B 1 
ATOM 560 O O   . SER B 2 8  ? 10.209  -0.904  -5.717  1.00 64.64 8  B 1 
ATOM 561 C CB  . SER B 2 8  ? 13.183  -2.439  -5.779  1.00 63.12 8  B 1 
ATOM 562 O OG  . SER B 2 8  ? 13.344  -1.341  -6.652  1.00 56.06 8  B 1 
ATOM 563 N N   . LEU B 2 9  ? 10.068  -3.123  -5.955  1.00 64.26 9  B 1 
ATOM 564 C CA  . LEU B 2 9  ? 8.749   -3.094  -6.607  1.00 64.88 9  B 1 
ATOM 565 C C   . LEU B 2 9  ? 7.654   -2.568  -5.664  1.00 65.10 9  B 1 
ATOM 566 O O   . LEU B 2 9  ? 6.807   -1.777  -6.081  1.00 66.34 9  B 1 
ATOM 567 C CB  . LEU B 2 9  ? 8.391   -4.504  -7.107  1.00 64.10 9  B 1 
ATOM 568 C CG  . LEU B 2 9  ? 9.246   -5.009  -8.286  1.00 60.43 9  B 1 
ATOM 569 C CD1 . LEU B 2 9  ? 8.922   -6.481  -8.555  1.00 54.18 9  B 1 
ATOM 570 C CD2 . LEU B 2 9  ? 8.969   -4.219  -9.568  1.00 55.58 9  B 1 
ATOM 571 N N   . ILE B 2 10 ? 7.687   -2.946  -4.400  1.00 67.77 10 B 1 
ATOM 572 C CA  . ILE B 2 10 ? 6.756   -2.444  -3.374  1.00 68.43 10 B 1 
ATOM 573 C C   . ILE B 2 10 ? 6.927   -0.927  -3.202  1.00 68.50 10 B 1 
ATOM 574 O O   . ILE B 2 10 ? 5.943   -0.190  -3.208  1.00 67.23 10 B 1 
ATOM 575 C CB  . ILE B 2 10 ? 6.958   -3.211  -2.053  1.00 66.80 10 B 1 
ATOM 576 C CG1 . ILE B 2 10 ? 6.580   -4.699  -2.220  1.00 63.70 10 B 1 
ATOM 577 C CG2 . ILE B 2 10 ? 6.114   -2.587  -0.922  1.00 60.76 10 B 1 
ATOM 578 C CD1 . ILE B 2 10 ? 7.116   -5.591  -1.097  1.00 57.48 10 B 1 
ATOM 579 N N   . LEU B 2 11 ? 8.159   -0.430  -3.117  1.00 67.18 11 B 1 
ATOM 580 C CA  . LEU B 2 11 ? 8.450   1.010   -3.064  1.00 67.15 11 B 1 
ATOM 581 C C   . LEU B 2 11 ? 7.900   1.752   -4.288  1.00 67.08 11 B 1 
ATOM 582 O O   . LEU B 2 11 ? 7.311   2.823   -4.143  1.00 66.94 11 B 1 
ATOM 583 C CB  . LEU B 2 11 ? 9.969   1.221   -2.954  1.00 66.12 11 B 1 
ATOM 584 C CG  . LEU B 2 11 ? 10.478  1.164   -1.508  1.00 63.55 11 B 1 
ATOM 585 C CD1 . LEU B 2 11 ? 11.999  1.023   -1.508  1.00 58.02 11 B 1 
ATOM 586 C CD2 . LEU B 2 11 ? 10.116  2.447   -0.757  1.00 60.16 11 B 1 
ATOM 587 N N   . MET B 2 12 ? 8.030   1.181   -5.483  1.00 66.30 12 B 1 
ATOM 588 C CA  . MET B 2 12 ? 7.480   1.769   -6.706  1.00 66.81 12 B 1 
ATOM 589 C C   . MET B 2 12 ? 5.951   1.906   -6.626  1.00 66.43 12 B 1 
ATOM 590 O O   . MET B 2 12 ? 5.412   2.952   -6.991  1.00 67.31 12 B 1 
ATOM 591 C CB  . MET B 2 12 ? 7.920   0.919   -7.905  1.00 65.53 12 B 1 
ATOM 592 C CG  . MET B 2 12 ? 7.612   1.617   -9.232  1.00 61.92 12 B 1 
ATOM 593 S SD  . MET B 2 12 ? 8.197   0.689   -10.675 1.00 56.04 12 B 1 
ATOM 594 C CE  . MET B 2 12 ? 7.738   1.846   -11.988 1.00 50.41 12 B 1 
ATOM 595 N N   . ALA B 2 13 ? 5.253   0.913   -6.080  1.00 68.39 13 B 1 
ATOM 596 C CA  . ALA B 2 13 ? 3.806   0.983   -5.873  1.00 68.62 13 B 1 
ATOM 597 C C   . ALA B 2 13 ? 3.418   2.106   -4.886  1.00 68.24 13 B 1 
ATOM 598 O O   . ALA B 2 13 ? 2.465   2.842   -5.139  1.00 66.84 13 B 1 
ATOM 599 C CB  . ALA B 2 13 ? 3.311   -0.391  -5.410  1.00 67.43 13 B 1 
ATOM 600 N N   . TYR B 2 14 ? 4.183   2.306   -3.807  1.00 67.34 14 B 1 
ATOM 601 C CA  . TYR B 2 14 ? 3.966   3.429   -2.882  1.00 68.19 14 B 1 
ATOM 602 C C   . TYR B 2 14 ? 4.183   4.789   -3.556  1.00 68.82 14 B 1 
ATOM 603 O O   . TYR B 2 14 ? 3.398   5.709   -3.344  1.00 69.64 14 B 1 
ATOM 604 C CB  . TYR B 2 14 ? 4.871   3.297   -1.655  1.00 67.62 14 B 1 
ATOM 605 C CG  . TYR B 2 14 ? 4.359   2.303   -0.640  1.00 63.58 14 B 1 
ATOM 606 C CD1 . TYR B 2 14 ? 3.189   2.583   0.090   1.00 58.23 14 B 1 
ATOM 607 C CD2 . TYR B 2 14 ? 5.039   1.089   -0.429  1.00 58.03 14 B 1 
ATOM 608 C CE1 . TYR B 2 14 ? 2.691   1.655   1.013   1.00 54.01 14 B 1 
ATOM 609 C CE2 . TYR B 2 14 ? 4.541   0.154   0.498   1.00 53.87 14 B 1 
ATOM 610 C CZ  . TYR B 2 14 ? 3.364   0.439   1.211   1.00 54.03 14 B 1 
ATOM 611 O OH  . TYR B 2 14 ? 2.869   -0.481  2.097   1.00 52.83 14 B 1 
ATOM 612 N N   . ILE B 2 15 ? 5.186   4.931   -4.410  1.00 67.99 15 B 1 
ATOM 613 C CA  . ILE B 2 15 ? 5.419   6.159   -5.187  1.00 68.17 15 B 1 
ATOM 614 C C   . ILE B 2 15 ? 4.201   6.468   -6.069  1.00 66.69 15 B 1 
ATOM 615 O O   . ILE B 2 15 ? 3.761   7.615   -6.113  1.00 65.75 15 B 1 
ATOM 616 C CB  . ILE B 2 15 ? 6.721   6.041   -6.011  1.00 68.13 15 B 1 
ATOM 617 C CG1 . ILE B 2 15 ? 7.949   6.025   -5.072  1.00 67.15 15 B 1 
ATOM 618 C CG2 . ILE B 2 15 ? 6.850   7.202   -7.018  1.00 63.51 15 B 1 
ATOM 619 C CD1 . ILE B 2 15 ? 9.239   5.557   -5.752  1.00 60.43 15 B 1 
ATOM 620 N N   . ILE B 2 16 ? 3.604   5.466   -6.714  1.00 67.82 16 B 1 
ATOM 621 C CA  . ILE B 2 16 ? 2.390   5.637   -7.530  1.00 66.64 16 B 1 
ATOM 622 C C   . ILE B 2 16 ? 1.227   6.162   -6.672  1.00 65.50 16 B 1 
ATOM 623 O O   . ILE B 2 16 ? 0.525   7.079   -7.098  1.00 63.88 16 B 1 
ATOM 624 C CB  . ILE B 2 16 ? 2.026   4.319   -8.255  1.00 66.26 16 B 1 
ATOM 625 C CG1 . ILE B 2 16 ? 3.111   3.948   -9.292  1.00 64.67 16 B 1 
ATOM 626 C CG2 . ILE B 2 16 ? 0.660   4.436   -8.967  1.00 61.08 16 B 1 
ATOM 627 C CD1 . ILE B 2 16 ? 3.028   2.493   -9.772  1.00 57.78 16 B 1 
ATOM 628 N N   . ILE B 2 17 ? 1.039   5.648   -5.462  1.00 70.76 17 B 1 
ATOM 629 C CA  . ILE B 2 17 ? 0.013   6.150   -4.532  1.00 69.78 17 B 1 
ATOM 630 C C   . ILE B 2 17 ? 0.244   7.636   -4.233  1.00 68.56 17 B 1 
ATOM 631 O O   . ILE B 2 17 ? -0.673  8.437   -4.391  1.00 66.59 17 B 1 
ATOM 632 C CB  . ILE B 2 17 ? -0.034  5.319   -3.233  1.00 69.13 17 B 1 
ATOM 633 C CG1 . ILE B 2 17 ? -0.526  3.890   -3.522  1.00 67.29 17 B 1 
ATOM 634 C CG2 . ILE B 2 17 ? -0.961  5.983   -2.189  1.00 63.31 17 B 1 
ATOM 635 C CD1 . ILE B 2 17 ? -0.354  2.940   -2.339  1.00 60.48 17 B 1 
ATOM 636 N N   . PHE B 2 18 ? 1.459   8.024   -3.854  1.00 66.13 18 B 1 
ATOM 637 C CA  . PHE B 2 18 ? 1.773   9.417   -3.519  1.00 65.62 18 B 1 
ATOM 638 C C   . PHE B 2 18 ? 1.573   10.372  -4.698  1.00 64.87 18 B 1 
ATOM 639 O O   . PHE B 2 18 ? 0.992   11.444  -4.529  1.00 64.04 18 B 1 
ATOM 640 C CB  . PHE B 2 18 ? 3.205   9.502   -2.985  1.00 64.50 18 B 1 
ATOM 641 C CG  . PHE B 2 18 ? 3.360   8.953   -1.586  1.00 61.00 18 B 1 
ATOM 642 C CD1 . PHE B 2 18 ? 2.599   9.485   -0.532  1.00 56.03 18 B 1 
ATOM 643 C CD2 . PHE B 2 18 ? 4.275   7.916   -1.333  1.00 56.27 18 B 1 
ATOM 644 C CE1 . PHE B 2 18 ? 2.747   8.983   0.767   1.00 52.08 18 B 1 
ATOM 645 C CE2 . PHE B 2 18 ? 4.426   7.415   -0.030  1.00 51.74 18 B 1 
ATOM 646 C CZ  . PHE B 2 18 ? 3.660   7.947   1.018   1.00 51.86 18 B 1 
ATOM 647 N N   . LEU B 2 19 ? 1.969   9.983   -5.892  1.00 64.88 19 B 1 
ATOM 648 C CA  . LEU B 2 19 ? 1.754   10.773  -7.109  1.00 64.15 19 B 1 
ATOM 649 C C   . LEU B 2 19 ? 0.262   10.917  -7.445  1.00 62.27 19 B 1 
ATOM 650 O O   . LEU B 2 19 ? -0.162  11.960  -7.940  1.00 60.67 19 B 1 
ATOM 651 C CB  . LEU B 2 19 ? 2.504   10.111  -8.278  1.00 64.53 19 B 1 
ATOM 652 C CG  . LEU B 2 19 ? 4.041   10.218  -8.196  1.00 62.64 19 B 1 
ATOM 653 C CD1 . LEU B 2 19 ? 4.668   9.400   -9.327  1.00 58.28 19 B 1 
ATOM 654 C CD2 . LEU B 2 19 ? 4.526   11.661  -8.322  1.00 58.94 19 B 1 
ATOM 655 N N   . THR B 2 20 ? -0.544  9.896   -7.159  1.00 64.64 20 B 1 
ATOM 656 C CA  . THR B 2 20 ? -1.991  9.915   -7.423  1.00 62.99 20 B 1 
ATOM 657 C C   . THR B 2 20 ? -2.749  10.741  -6.380  1.00 61.42 20 B 1 
ATOM 658 O O   . THR B 2 20 ? -3.702  11.443  -6.716  1.00 59.80 20 B 1 
ATOM 659 C CB  . THR B 2 20 ? -2.550  8.485   -7.474  1.00 62.04 20 B 1 
ATOM 660 O OG1 . THR B 2 20 ? -1.800  7.704   -8.380  1.00 57.44 20 B 1 
ATOM 661 C CG2 . THR B 2 20 ? -3.994  8.459   -7.970  1.00 55.30 20 B 1 
ATOM 662 N N   . MET B 2 21 ? -2.320  10.682  -5.126  1.00 62.78 21 B 1 
ATOM 663 C CA  . MET B 2 21 ? -2.971  11.383  -4.018  1.00 62.30 21 B 1 
ATOM 664 C C   . MET B 2 21 ? -2.762  12.896  -4.034  1.00 60.17 21 B 1 
ATOM 665 O O   . MET B 2 21 ? -3.618  13.607  -3.516  1.00 58.94 21 B 1 
ATOM 666 C CB  . MET B 2 21 ? -2.481  10.802  -2.692  1.00 61.26 21 B 1 
ATOM 667 C CG  . MET B 2 21 ? -3.137  9.460   -2.397  1.00 57.00 21 B 1 
ATOM 668 S SD  . MET B 2 21 ? -2.704  8.786   -0.776  1.00 52.72 21 B 1 
ATOM 669 C CE  . MET B 2 21 ? -3.433  10.073  0.251   1.00 48.80 21 B 1 
ATOM 670 N N   . LEU B 2 22 ? -1.679  13.402  -4.625  1.00 58.06 22 B 1 
ATOM 671 C CA  . LEU B 2 22 ? -1.310  14.827  -4.554  1.00 57.51 22 B 1 
ATOM 672 C C   . LEU B 2 22 ? -1.441  15.355  -3.110  1.00 56.58 22 B 1 
ATOM 673 O O   . LEU B 2 22 ? -2.469  15.946  -2.749  1.00 53.27 22 B 1 
ATOM 674 C CB  . LEU B 2 22 ? -2.132  15.647  -5.565  1.00 54.51 22 B 1 
ATOM 675 C CG  . LEU B 2 22 ? -1.766  15.368  -7.030  1.00 51.59 22 B 1 
ATOM 676 C CD1 . LEU B 2 22 ? -2.820  15.991  -7.949  1.00 48.28 22 B 1 
ATOM 677 C CD2 . LEU B 2 22 ? -0.406  15.979  -7.394  1.00 48.59 22 B 1 
ATOM 678 N N   . PRO B 2 23 ? -0.432  15.101  -2.263  1.00 57.69 23 B 1 
ATOM 679 C CA  . PRO B 2 23 ? -0.546  15.259  -0.813  1.00 57.35 23 B 1 
ATOM 680 C C   . PRO B 2 23 ? -0.869  16.699  -0.395  1.00 58.16 23 B 1 
ATOM 681 O O   . PRO B 2 23 ? -0.105  17.628  -0.638  1.00 54.53 23 B 1 
ATOM 682 C CB  . PRO B 2 23 ? 0.787   14.764  -0.249  1.00 53.67 23 B 1 
ATOM 683 C CG  . PRO B 2 23 ? 1.763   14.900  -1.405  1.00 52.29 23 B 1 
ATOM 684 C CD  . PRO B 2 23 ? 0.894   14.622  -2.618  1.00 53.27 23 B 1 
ATOM 685 N N   . ASP B 2 24 ? -1.998  16.857  0.300   1.00 60.09 24 B 1 
ATOM 686 C CA  . ASP B 2 24 ? -2.402  18.083  0.989   1.00 61.24 24 B 1 
ATOM 687 C C   . ASP B 2 24 ? -2.066  17.987  2.490   1.00 62.28 24 B 1 
ATOM 688 O O   . ASP B 2 24 ? -1.454  17.023  2.953   1.00 59.61 24 B 1 
ATOM 689 C CB  . ASP B 2 24 ? -3.906  18.308  0.750   1.00 58.12 24 B 1 
ATOM 690 C CG  . ASP B 2 24 ? -4.221  18.807  -0.656  1.00 52.51 24 B 1 
ATOM 691 O OD1 . ASP B 2 24 ? -3.423  19.622  -1.171  1.00 49.65 24 B 1 
ATOM 692 O OD2 . ASP B 2 24 ? -5.290  18.433  -1.176  1.00 48.88 24 B 1 
ATOM 693 N N   . TRP B 2 25 ? -2.498  18.976  3.287   1.00 55.61 25 B 1 
ATOM 694 C CA  . TRP B 2 25 ? -2.293  18.963  4.748   1.00 54.74 25 B 1 
ATOM 695 C C   . TRP B 2 25 ? -2.825  17.689  5.433   1.00 54.91 25 B 1 
ATOM 696 O O   . TRP B 2 25 ? -2.262  17.250  6.436   1.00 52.97 25 B 1 
ATOM 697 C CB  . TRP B 2 25 ? -2.955  20.215  5.337   1.00 53.00 25 B 1 
ATOM 698 C CG  . TRP B 2 25 ? -4.459  20.206  5.308   1.00 51.69 25 B 1 
ATOM 699 C CD1 . TRP B 2 25 ? -5.239  20.564  4.271   1.00 46.28 25 B 1 
ATOM 700 C CD2 . TRP B 2 25 ? -5.361  19.805  6.390   1.00 48.22 25 B 1 
ATOM 701 N NE1 . TRP B 2 25 ? -6.578  20.410  4.633   1.00 44.84 25 B 1 
ATOM 702 C CE2 . TRP B 2 25 ? -6.685  19.957  5.924   1.00 46.08 25 B 1 
ATOM 703 C CE3 . TRP B 2 25 ? -5.163  19.358  7.707   1.00 46.29 25 B 1 
ATOM 704 C CZ2 . TRP B 2 25 ? -7.805  19.665  6.746   1.00 47.72 25 B 1 
ATOM 705 C CZ3 . TRP B 2 25 ? -6.277  19.065  8.532   1.00 45.12 25 B 1 
ATOM 706 C CH2 . TRP B 2 25 ? -7.581  19.224  8.051   1.00 43.65 25 B 1 
ATOM 707 N N   . LYS B 2 26 ? -3.863  17.067  4.870   1.00 59.87 26 B 1 
ATOM 708 C CA  . LYS B 2 26 ? -4.409  15.786  5.361   1.00 60.87 26 B 1 
ATOM 709 C C   . LYS B 2 26 ? -3.484  14.599  5.084   1.00 60.84 26 B 1 
ATOM 710 O O   . LYS B 2 26 ? -3.642  13.554  5.716   1.00 60.48 26 B 1 
ATOM 711 C CB  . LYS B 2 26 ? -5.793  15.529  4.744   1.00 61.74 26 B 1 
ATOM 712 C CG  . LYS B 2 26 ? -6.863  16.535  5.205   1.00 58.64 26 B 1 
ATOM 713 C CD  . LYS B 2 26 ? -8.237  16.134  4.657   1.00 55.56 26 B 1 
ATOM 714 C CE  . LYS B 2 26 ? -9.328  17.109  5.104   1.00 51.88 26 B 1 
ATOM 715 N NZ  . LYS B 2 26 ? -10.666 16.687  4.625   1.00 47.93 26 B 1 
ATOM 716 N N   . SER B 2 27 ? -2.511  14.742  4.195   1.00 62.83 27 B 1 
ATOM 717 C CA  . SER B 2 27 ? -1.548  13.686  3.865   1.00 62.95 27 B 1 
ATOM 718 C C   . SER B 2 27 ? -0.777  13.190  5.087   1.00 63.37 27 B 1 
ATOM 719 O O   . SER B 2 27 ? -0.454  12.010  5.161   1.00 61.61 27 B 1 
ATOM 720 C CB  . SER B 2 27 ? -0.555  14.177  2.811   1.00 62.02 27 B 1 
ATOM 721 O OG  . SER B 2 27 ? 0.333   15.141  3.339   1.00 56.41 27 B 1 
ATOM 722 N N   . SER B 2 28 ? -0.546  14.053  6.081   1.00 62.93 28 B 1 
ATOM 723 C CA  . SER B 2 28 ? 0.116   13.667  7.332   1.00 63.32 28 B 1 
ATOM 724 C C   . SER B 2 28 ? -0.660  12.570  8.078   1.00 63.66 28 B 1 
ATOM 725 O O   . SER B 2 28 ? -0.066  11.595  8.532   1.00 63.26 28 B 1 
ATOM 726 C CB  . SER B 2 28 ? 0.282   14.907  8.213   1.00 61.90 28 B 1 
ATOM 727 O OG  . SER B 2 28 ? 1.007   14.577  9.379   1.00 55.29 28 B 1 
ATOM 728 N N   . LEU B 2 29 ? -1.993  12.682  8.147   1.00 61.90 29 B 1 
ATOM 729 C CA  . LEU B 2 29 ? -2.842  11.662  8.783   1.00 61.97 29 B 1 
ATOM 730 C C   . LEU B 2 29 ? -2.832  10.344  7.994   1.00 62.32 29 B 1 
ATOM 731 O O   . LEU B 2 29 ? -2.772  9.264   8.584   1.00 63.18 29 B 1 
ATOM 732 C CB  . LEU B 2 29 ? -4.278  12.196  8.904   1.00 61.32 29 B 1 
ATOM 733 C CG  . LEU B 2 29 ? -4.444  13.361  9.894   1.00 57.88 29 B 1 
ATOM 734 C CD1 . LEU B 2 29 ? -5.854  13.938  9.776   1.00 52.43 29 B 1 
ATOM 735 C CD2 . LEU B 2 29 ? -4.235  12.907  11.341  1.00 53.35 29 B 1 
ATOM 736 N N   . ILE B 2 30 ? -2.841  10.423  6.674   1.00 65.72 30 B 1 
ATOM 737 C CA  . ILE B 2 30 ? -2.779  9.244   5.796   1.00 65.95 30 B 1 
ATOM 738 C C   . ILE B 2 30 ? -1.428  8.534   5.954   1.00 66.06 30 B 1 
ATOM 739 O O   . ILE B 2 30 ? -1.382  7.315   6.116   1.00 64.52 30 B 1 
ATOM 740 C CB  . ILE B 2 30 ? -3.054  9.672   4.342   1.00 64.82 30 B 1 
ATOM 741 C CG1 . ILE B 2 30 ? -4.485  10.241  4.208   1.00 62.00 30 B 1 
ATOM 742 C CG2 . ILE B 2 30 ? -2.871  8.469   3.392   1.00 59.25 30 B 1 
ATOM 743 C CD1 . ILE B 2 30 ? -4.702  11.064  2.937   1.00 55.99 30 B 1 
ATOM 744 N N   . LEU B 2 31 ? -0.331  9.295   5.985   1.00 65.67 31 B 1 
ATOM 745 C CA  . LEU B 2 31 ? 1.008   8.756   6.243   1.00 65.68 31 B 1 
ATOM 746 C C   . LEU B 2 31 ? 1.092   8.076   7.612   1.00 65.62 31 B 1 
ATOM 747 O O   . LEU B 2 31 ? 1.685   7.003   7.729   1.00 65.29 31 B 1 
ATOM 748 C CB  . LEU B 2 31 ? 2.036   9.891   6.117   1.00 64.78 31 B 1 
ATOM 749 C CG  . LEU B 2 31 ? 2.367   10.211  4.650   1.00 61.92 31 B 1 
ATOM 750 C CD1 . LEU B 2 31 ? 3.012   11.591  4.533   1.00 57.25 31 B 1 
ATOM 751 C CD2 . LEU B 2 31 ? 3.342   9.177   4.080   1.00 58.42 31 B 1 
ATOM 752 N N   . MET B 2 32 ? 0.445   8.638   8.639   1.00 65.56 32 B 1 
ATOM 753 C CA  . MET B 2 32 ? 0.362   8.003   9.956   1.00 65.55 32 B 1 
ATOM 754 C C   . MET B 2 32 ? -0.342  6.638   9.882   1.00 65.19 32 B 1 
ATOM 755 O O   . MET B 2 32 ? 0.131   5.674   10.487  1.00 65.92 32 B 1 
ATOM 756 C CB  . MET B 2 32 ? -0.338  8.961   10.929  1.00 64.12 32 B 1 
ATOM 757 C CG  . MET B 2 32 ? -0.214  8.491   12.377  1.00 59.93 32 B 1 
ATOM 758 S SD  . MET B 2 32 ? -0.946  9.651   13.558  1.00 54.28 32 B 1 
ATOM 759 C CE  . MET B 2 32 ? -0.500  8.833   15.108  1.00 49.00 32 B 1 
ATOM 760 N N   . ALA B 2 33 ? -1.420  6.516   9.093   1.00 65.60 33 B 1 
ATOM 761 C CA  . ALA B 2 33 ? -2.094  5.234   8.879   1.00 65.40 33 B 1 
ATOM 762 C C   . ALA B 2 33 ? -1.180  4.208   8.177   1.00 65.25 33 B 1 
ATOM 763 O O   . ALA B 2 33 ? -1.153  3.044   8.575   1.00 63.63 33 B 1 
ATOM 764 C CB  . ALA B 2 33 ? -3.388  5.480   8.099   1.00 64.51 33 B 1 
ATOM 765 N N   . TYR B 2 34 ? -0.371  4.636   7.200   1.00 65.29 34 B 1 
ATOM 766 C CA  . TYR B 2 34 ? 0.636   3.760   6.582   1.00 66.33 34 B 1 
ATOM 767 C C   . TYR B 2 34 ? 1.691   3.285   7.589   1.00 67.14 34 B 1 
ATOM 768 O O   . TYR B 2 34 ? 2.057   2.113   7.588   1.00 68.11 34 B 1 
ATOM 769 C CB  . TYR B 2 34 ? 1.320   4.468   5.415   1.00 66.23 34 B 1 
ATOM 770 C CG  . TYR B 2 34 ? 0.497   4.485   4.151   1.00 62.47 34 B 1 
ATOM 771 C CD1 . TYR B 2 34 ? 0.303   3.300   3.423   1.00 57.37 34 B 1 
ATOM 772 C CD2 . TYR B 2 34 ? -0.050  5.691   3.687   1.00 57.41 34 B 1 
ATOM 773 C CE1 . TYR B 2 34 ? -0.415  3.325   2.221   1.00 53.33 34 B 1 
ATOM 774 C CE2 . TYR B 2 34 ? -0.771  5.724   2.487   1.00 53.37 34 B 1 
ATOM 775 C CZ  . TYR B 2 34 ? -0.939  4.544   1.749   1.00 53.49 34 B 1 
ATOM 776 O OH  . TYR B 2 34 ? -1.602  4.603   0.558   1.00 52.61 34 B 1 
ATOM 777 N N   . ILE B 2 35 ? 2.150   4.159   8.488   1.00 67.10 35 B 1 
ATOM 778 C CA  . ILE B 2 35 ? 3.086   3.785   9.556   1.00 67.31 35 B 1 
ATOM 779 C C   . ILE B 2 35 ? 2.472   2.688   10.438  1.00 65.63 35 B 1 
ATOM 780 O O   . ILE B 2 35 ? 3.154   1.718   10.760  1.00 64.73 35 B 1 
ATOM 781 C CB  . ILE B 2 35 ? 3.504   5.026   10.375  1.00 67.50 35 B 1 
ATOM 782 C CG1 . ILE B 2 35 ? 4.376   5.966   9.509   1.00 66.45 35 B 1 
ATOM 783 C CG2 . ILE B 2 35 ? 4.278   4.625   11.647  1.00 63.41 35 B 1 
ATOM 784 C CD1 . ILE B 2 35 ? 4.539   7.372   10.098  1.00 60.51 35 B 1 
ATOM 785 N N   . ILE B 2 36 ? 1.182   2.786   10.777  1.00 66.55 36 B 1 
ATOM 786 C CA  . ILE B 2 36 ? 0.474   1.754   11.557  1.00 64.88 36 B 1 
ATOM 787 C C   . ILE B 2 36 ? 0.487   0.408   10.816  1.00 63.80 36 B 1 
ATOM 788 O O   . ILE B 2 36 ? 0.754   -0.624  11.434  1.00 61.81 36 B 1 
ATOM 789 C CB  . ILE B 2 36 ? -0.963  2.211   11.903  1.00 64.13 36 B 1 
ATOM 790 C CG1 . ILE B 2 36 ? -0.935  3.434   12.847  1.00 61.74 36 B 1 
ATOM 791 C CG2 . ILE B 2 36 ? -1.764  1.073   12.568  1.00 58.29 36 B 1 
ATOM 792 C CD1 . ILE B 2 36 ? -2.278  4.172   12.938  1.00 55.17 36 B 1 
ATOM 793 N N   . ILE B 2 37 ? 0.260   0.398   9.505   1.00 68.18 37 B 1 
ATOM 794 C CA  . ILE B 2 37 ? 0.348   -0.831  8.695   1.00 67.16 37 B 1 
ATOM 795 C C   . ILE B 2 37 ? 1.753   -1.439  8.796   1.00 66.30 37 B 1 
ATOM 796 O O   . ILE B 2 37 ? 1.881   -2.625  9.097   1.00 64.22 37 B 1 
ATOM 797 C CB  . ILE B 2 37 ? -0.039  -0.568  7.222   1.00 66.34 37 B 1 
ATOM 798 C CG1 . ILE B 2 37 ? -1.527  -0.192  7.112   1.00 63.65 37 B 1 
ATOM 799 C CG2 . ILE B 2 37 ? 0.251   -1.810  6.343   1.00 59.64 37 B 1 
ATOM 800 C CD1 . ILE B 2 37 ? -1.922  0.329   5.732   1.00 56.99 37 B 1 
ATOM 801 N N   . PHE B 2 38 ? 2.802   -0.630  8.598   1.00 63.00 38 B 1 
ATOM 802 C CA  . PHE B 2 38 ? 4.182   -1.117  8.657   1.00 62.62 38 B 1 
ATOM 803 C C   . PHE B 2 38 ? 4.552   -1.685  10.025  1.00 62.18 38 B 1 
ATOM 804 O O   . PHE B 2 38 ? 5.149   -2.759  10.108  1.00 61.27 38 B 1 
ATOM 805 C CB  . PHE B 2 38 ? 5.150   0.001   8.259   1.00 61.46 38 B 1 
ATOM 806 C CG  . PHE B 2 38 ? 5.150   0.291   6.779   1.00 57.93 38 B 1 
ATOM 807 C CD1 . PHE B 2 38 ? 5.455   -0.733  5.870   1.00 53.20 38 B 1 
ATOM 808 C CD2 . PHE B 2 38 ? 4.834   1.575   6.313   1.00 53.39 38 B 1 
ATOM 809 C CE1 . PHE B 2 38 ? 5.430   -0.478  4.494   1.00 49.54 38 B 1 
ATOM 810 C CE2 . PHE B 2 38 ? 4.808   1.832   4.933   1.00 49.43 38 B 1 
ATOM 811 C CZ  . PHE B 2 38 ? 5.098   0.803   4.025   1.00 49.54 38 B 1 
ATOM 812 N N   . LEU B 2 39 ? 4.156   -1.015  11.098  1.00 62.21 39 B 1 
ATOM 813 C CA  . LEU B 2 39 ? 4.387   -1.495  12.462  1.00 61.40 39 B 1 
ATOM 814 C C   . LEU B 2 39 ? 3.627   -2.795  12.749  1.00 59.81 39 B 1 
ATOM 815 O O   . LEU B 2 39 ? 4.126   -3.654  13.478  1.00 58.23 39 B 1 
ATOM 816 C CB  . LEU B 2 39 ? 3.970   -0.398  13.457  1.00 61.61 39 B 1 
ATOM 817 C CG  . LEU B 2 39 ? 4.888   0.843   13.462  1.00 59.83 39 B 1 
ATOM 818 C CD1 . LEU B 2 39 ? 4.289   1.909   14.379  1.00 56.03 39 B 1 
ATOM 819 C CD2 . LEU B 2 39 ? 6.296   0.517   13.958  1.00 56.36 39 B 1 
ATOM 820 N N   . THR B 2 40 ? 2.436   -2.968  12.163  1.00 61.40 40 B 1 
ATOM 821 C CA  . THR B 2 40 ? 1.620   -4.178  12.348  1.00 59.64 40 B 1 
ATOM 822 C C   . THR B 2 40 ? 2.149   -5.353  11.526  1.00 58.19 40 B 1 
ATOM 823 O O   . THR B 2 40 ? 2.185   -6.484  12.010  1.00 56.73 40 B 1 
ATOM 824 C CB  . THR B 2 40 ? 0.153   -3.902  11.986  1.00 59.05 40 B 1 
ATOM 825 O OG1 . THR B 2 40 ? -0.316  -2.786  12.702  1.00 54.54 40 B 1 
ATOM 826 C CG2 . THR B 2 40 ? -0.749  -5.077  12.365  1.00 52.72 40 B 1 
ATOM 827 N N   . MET B 2 41 ? 2.576   -5.096  10.295  1.00 61.75 41 B 1 
ATOM 828 C CA  . MET B 2 41 ? 3.110   -6.130  9.406   1.00 60.93 41 B 1 
ATOM 829 C C   . MET B 2 41 ? 4.497   -6.612  9.826   1.00 59.10 41 B 1 
ATOM 830 O O   . MET B 2 41 ? 4.810   -7.780  9.609   1.00 57.62 41 B 1 
ATOM 831 C CB  . MET B 2 41 ? 3.144   -5.616  7.962   1.00 59.77 41 B 1 
ATOM 832 C CG  . MET B 2 41 ? 1.743   -5.524  7.363   1.00 55.32 41 B 1 
ATOM 833 S SD  . MET B 2 41 ? 1.739   -5.192  5.583   1.00 50.95 41 B 1 
ATOM 834 C CE  . MET B 2 41 ? 2.301   -6.794  4.968   1.00 47.13 41 B 1 
ATOM 835 N N   . LEU B 2 42 ? 5.317   -5.739  10.421  1.00 57.54 42 B 1 
ATOM 836 C CA  . LEU B 2 42 ? 6.705   -6.045  10.801  1.00 56.92 42 B 1 
ATOM 837 C C   . LEU B 2 42 ? 7.441   -6.821  9.686   1.00 56.00 42 B 1 
ATOM 838 O O   . LEU B 2 42 ? 7.800   -7.990  9.877   1.00 52.65 42 B 1 
ATOM 839 C CB  . LEU B 2 42 ? 6.735   -6.762  12.167  1.00 53.96 42 B 1 
ATOM 840 C CG  . LEU B 2 42 ? 6.329   -5.873  13.355  1.00 51.20 42 B 1 
ATOM 841 C CD1 . LEU B 2 42 ? 6.082   -6.750  14.588  1.00 47.84 42 B 1 
ATOM 842 C CD2 . LEU B 2 42 ? 7.435   -4.872  13.703  1.00 48.42 42 B 1 
ATOM 843 N N   . PRO B 2 43 ? 7.635   -6.195  8.498   1.00 57.01 43 B 1 
ATOM 844 C CA  . PRO B 2 43 ? 8.393   -6.821  7.418   1.00 56.91 43 B 1 
ATOM 845 C C   . PRO B 2 43 ? 9.864   -7.017  7.818   1.00 57.80 43 B 1 
ATOM 846 O O   . PRO B 2 43 ? 10.303  -6.588  8.889   1.00 54.57 43 B 1 
ATOM 847 C CB  . PRO B 2 43 ? 8.221   -5.884  6.216   1.00 54.05 43 B 1 
ATOM 848 C CG  . PRO B 2 43 ? 8.035   -4.515  6.850   1.00 52.56 43 B 1 
ATOM 849 C CD  . PRO B 2 43 ? 7.253   -4.835  8.119   1.00 53.26 43 B 1 
ATOM 850 N N   . ASP B 2 44 ? 10.631  -7.667  6.944   1.00 60.55 44 B 1 
ATOM 851 C CA  . ASP B 2 44 ? 12.060  -7.887  7.176   1.00 62.06 44 B 1 
ATOM 852 C C   . ASP B 2 44 ? 12.770  -6.573  7.535   1.00 63.41 44 B 1 
ATOM 853 O O   . ASP B 2 44 ? 12.482  -5.512  6.974   1.00 61.07 44 B 1 
ATOM 854 C CB  . ASP B 2 44 ? 12.710  -8.521  5.938   1.00 59.52 44 B 1 
ATOM 855 C CG  . ASP B 2 44 ? 12.301  -9.975  5.709   1.00 54.06 44 B 1 
ATOM 856 O OD1 . ASP B 2 44 ? 12.136  -10.709 6.711   1.00 50.75 44 B 1 
ATOM 857 O OD2 . ASP B 2 44 ? 12.200  -10.370 4.532   1.00 50.34 44 B 1 
ATOM 858 N N   . TRP B 2 45 ? 13.742  -6.653  8.440   1.00 59.69 45 B 1 
ATOM 859 C CA  . TRP B 2 45 ? 14.465  -5.495  8.997   1.00 59.29 45 B 1 
ATOM 860 C C   . TRP B 2 45 ? 14.883  -4.466  7.934   1.00 59.46 45 B 1 
ATOM 861 O O   . TRP B 2 45 ? 14.620  -3.270  8.079   1.00 57.85 45 B 1 
ATOM 862 C CB  . TRP B 2 45 ? 15.702  -6.031  9.732   1.00 58.15 45 B 1 
ATOM 863 C CG  . TRP B 2 45 ? 16.582  -4.977  10.338  1.00 56.20 45 B 1 
ATOM 864 C CD1 . TRP B 2 45 ? 17.555  -4.302  9.701   1.00 50.61 45 B 1 
ATOM 865 C CD2 . TRP B 2 45 ? 16.552  -4.462  11.713  1.00 52.98 45 B 1 
ATOM 866 N NE1 . TRP B 2 45 ? 18.144  -3.394  10.587  1.00 48.92 45 B 1 
ATOM 867 C CE2 . TRP B 2 45 ? 17.557  -3.470  11.824  1.00 50.51 45 B 1 
ATOM 868 C CE3 . TRP B 2 45 ? 15.784  -4.767  12.852  1.00 50.08 45 B 1 
ATOM 869 C CZ2 . TRP B 2 45 ? 17.794  -2.777  13.037  1.00 51.75 45 B 1 
ATOM 870 C CZ3 . TRP B 2 45 ? 16.017  -4.077  14.068  1.00 49.19 45 B 1 
ATOM 871 C CH2 . TRP B 2 45 ? 17.016  -3.092  14.155  1.00 47.88 45 B 1 
ATOM 872 N N   . LYS B 2 46 ? 15.505  -4.921  6.840   1.00 62.65 46 B 1 
ATOM 873 C CA  . LYS B 2 46 ? 15.967  -4.037  5.756   1.00 63.04 46 B 1 
ATOM 874 C C   . LYS B 2 46 ? 14.798  -3.362  5.035   1.00 62.66 46 B 1 
ATOM 875 O O   . LYS B 2 46 ? 14.836  -2.157  4.804   1.00 62.39 46 B 1 
ATOM 876 C CB  . LYS B 2 46 ? 16.815  -4.822  4.751   1.00 63.90 46 B 1 
ATOM 877 C CG  . LYS B 2 46 ? 18.176  -5.275  5.311   1.00 60.75 46 B 1 
ATOM 878 C CD  . LYS B 2 46 ? 18.960  -5.943  4.176   1.00 57.30 46 B 1 
ATOM 879 C CE  . LYS B 2 46 ? 20.353  -6.403  4.603   1.00 53.10 46 B 1 
ATOM 880 N NZ  . LYS B 2 46 ? 21.060  -7.000  3.443   1.00 48.93 46 B 1 
ATOM 881 N N   . SER B 2 47 ? 13.747  -4.104  4.710   1.00 62.06 47 B 1 
ATOM 882 C CA  . SER B 2 47 ? 12.551  -3.583  4.035   1.00 62.17 47 B 1 
ATOM 883 C C   . SER B 2 47 ? 11.844  -2.533  4.901   1.00 62.44 47 B 1 
ATOM 884 O O   . SER B 2 47 ? 11.492  -1.459  4.415   1.00 60.75 47 B 1 
ATOM 885 C CB  . SER B 2 47 ? 11.610  -4.746  3.706   1.00 61.51 47 B 1 
ATOM 886 O OG  . SER B 2 47 ? 10.468  -4.280  3.019   1.00 55.62 47 B 1 
ATOM 887 N N   . SER B 2 48 ? 11.713  -2.794  6.202   1.00 62.80 48 B 1 
ATOM 888 C CA  . SER B 2 48 ? 11.110  -1.864  7.159   1.00 63.03 48 B 1 
ATOM 889 C C   . SER B 2 48 ? 11.878  -0.539  7.233   1.00 63.29 48 B 1 
ATOM 890 O O   . SER B 2 48 ? 11.270  0.527   7.154   1.00 62.70 48 B 1 
ATOM 891 C CB  . SER B 2 48 ? 11.046  -2.528  8.537   1.00 61.52 48 B 1 
ATOM 892 O OG  . SER B 2 48 ? 10.361  -1.693  9.445   1.00 55.04 48 B 1 
ATOM 893 N N   . LEU B 2 49 ? 13.210  -0.581  7.319   1.00 65.54 49 B 1 
ATOM 894 C CA  . LEU B 2 49 ? 14.046  0.626   7.380   1.00 65.85 49 B 1 
ATOM 895 C C   . LEU B 2 49 ? 13.955  1.463   6.098   1.00 65.50 49 B 1 
ATOM 896 O O   . LEU B 2 49 ? 13.833  2.685   6.179   1.00 67.17 49 B 1 
ATOM 897 C CB  . LEU B 2 49 ? 15.505  0.234   7.657   1.00 65.78 49 B 1 
ATOM 898 C CG  . LEU B 2 49 ? 15.780  -0.216  9.103   1.00 62.62 49 B 1 
ATOM 899 C CD1 . LEU B 2 49 ? 17.222  -0.720  9.197   1.00 56.24 49 B 1 
ATOM 900 C CD2 . LEU B 2 49 ? 15.612  0.927   10.102  1.00 57.99 49 B 1 
ATOM 901 N N   . ILE B 2 50 ? 13.976  0.841   4.927   1.00 68.31 50 B 1 
ATOM 902 C CA  . ILE B 2 50 ? 13.884  1.545   3.636   1.00 68.79 50 B 1 
ATOM 903 C C   . ILE B 2 50 ? 12.522  2.245   3.506   1.00 68.55 50 B 1 
ATOM 904 O O   . ILE B 2 50 ? 12.458  3.421   3.154   1.00 67.38 50 B 1 
ATOM 905 C CB  . ILE B 2 50 ? 14.142  0.564   2.471   1.00 68.41 50 B 1 
ATOM 906 C CG1 . ILE B 2 50 ? 15.602  0.057   2.489   1.00 66.47 50 B 1 
ATOM 907 C CG2 . ILE B 2 50 ? 13.859  1.235   1.109   1.00 63.56 50 B 1 
ATOM 908 C CD1 . ILE B 2 50 ? 15.822  -1.191  1.614   1.00 59.79 50 B 1 
ATOM 909 N N   . LEU B 2 51 ? 11.437  1.559   3.835   1.00 67.18 51 B 1 
ATOM 910 C CA  . LEU B 2 51 ? 10.084  2.124   3.787   1.00 66.62 51 B 1 
ATOM 911 C C   . LEU B 2 51 ? 9.901   3.255   4.809   1.00 66.25 51 B 1 
ATOM 912 O O   . LEU B 2 51 ? 9.334   4.297   4.483   1.00 65.81 51 B 1 
ATOM 913 C CB  . LEU B 2 51 ? 9.072   0.993   4.015   1.00 65.47 51 B 1 
ATOM 914 C CG  . LEU B 2 51 ? 8.904   0.095   2.776   1.00 62.49 51 B 1 
ATOM 915 C CD1 . LEU B 2 51 ? 8.249   -1.231  3.159   1.00 57.46 51 B 1 
ATOM 916 C CD2 . LEU B 2 51 ? 8.026   0.781   1.726   1.00 58.87 51 B 1 
ATOM 917 N N   . MET B 2 52 ? 10.418  3.099   6.026   1.00 67.32 52 B 1 
ATOM 918 C CA  . MET B 2 52 ? 10.379  4.146   7.052   1.00 67.18 52 B 1 
ATOM 919 C C   . MET B 2 52 ? 11.160  5.391   6.611   1.00 66.45 52 B 1 
ATOM 920 O O   . MET B 2 52 ? 10.664  6.508   6.752   1.00 67.39 52 B 1 
ATOM 921 C CB  . MET B 2 52 ? 10.919  3.579   8.370   1.00 65.73 52 B 1 
ATOM 922 C CG  . MET B 2 52 ? 10.669  4.530   9.540   1.00 61.86 52 B 1 
ATOM 923 S SD  . MET B 2 52 ? 11.205  3.854   11.128  1.00 56.33 52 B 1 
ATOM 924 C CE  . MET B 2 52 ? 10.597  5.149   12.237  1.00 50.79 52 B 1 
ATOM 925 N N   . ALA B 2 53 ? 12.339  5.218   6.010   1.00 67.40 53 B 1 
ATOM 926 C CA  . ALA B 2 53 ? 13.127  6.323   5.468   1.00 67.90 53 B 1 
ATOM 927 C C   . ALA B 2 53 ? 12.364  7.067   4.360   1.00 67.08 53 B 1 
ATOM 928 O O   . ALA B 2 53 ? 12.342  8.295   4.359   1.00 66.21 53 B 1 
ATOM 929 C CB  . ALA B 2 53 ? 14.465  5.780   4.954   1.00 68.26 53 B 1 
ATOM 930 N N   . TYR B 2 54 ? 11.679  6.348   3.466   1.00 64.83 54 B 1 
ATOM 931 C CA  . TYR B 2 54 ? 10.861  6.964   2.416   1.00 65.90 54 B 1 
ATOM 932 C C   . TYR B 2 54 ? 9.723   7.810   3.001   1.00 65.83 54 B 1 
ATOM 933 O O   . TYR B 2 54 ? 9.526   8.953   2.584   1.00 67.10 54 B 1 
ATOM 934 C CB  . TYR B 2 54 ? 10.320  5.876   1.484   1.00 66.23 54 B 1 
ATOM 935 C CG  . TYR B 2 54 ? 9.627   6.460   0.270   1.00 62.86 54 B 1 
ATOM 936 C CD1 . TYR B 2 54 ? 8.248   6.728   0.292   1.00 58.22 54 B 1 
ATOM 937 C CD2 . TYR B 2 54 ? 10.386  6.808   -0.867  1.00 58.38 54 B 1 
ATOM 938 C CE1 . TYR B 2 54 ? 7.626   7.341   -0.811  1.00 54.67 54 B 1 
ATOM 939 C CE2 . TYR B 2 54 ? 9.771   7.423   -1.972  1.00 54.75 54 B 1 
ATOM 940 C CZ  . TYR B 2 54 ? 8.392   7.694   -1.938  1.00 54.60 54 B 1 
ATOM 941 O OH  . TYR B 2 54 ? 7.800   8.310   -3.006  1.00 53.58 54 B 1 
ATOM 942 N N   . ILE B 2 55 ? 9.010   7.306   4.002   1.00 66.67 55 B 1 
ATOM 943 C CA  . ILE B 2 55 ? 7.934   8.038   4.686   1.00 65.86 55 B 1 
ATOM 944 C C   . ILE B 2 55 ? 8.478   9.304   5.365   1.00 63.80 55 B 1 
ATOM 945 O O   . ILE B 2 55 ? 7.872   10.364  5.253   1.00 62.44 55 B 1 
ATOM 946 C CB  . ILE B 2 55 ? 7.218   7.112   5.691   1.00 65.77 55 B 1 
ATOM 947 C CG1 . ILE B 2 55 ? 6.438   6.004   4.946   1.00 65.38 55 B 1 
ATOM 948 C CG2 . ILE B 2 55 ? 6.255   7.904   6.594   1.00 62.15 55 B 1 
ATOM 949 C CD1 . ILE B 2 55 ? 6.039   4.837   5.851   1.00 59.62 55 B 1 
ATOM 950 N N   . ILE B 2 56 ? 9.623   9.227   6.041   1.00 63.74 56 B 1 
ATOM 951 C CA  . ILE B 2 56 ? 10.259  10.383  6.693   1.00 62.81 56 B 1 
ATOM 952 C C   . ILE B 2 56 ? 10.628  11.453  5.659   1.00 61.32 56 B 1 
ATOM 953 O O   . ILE B 2 56 ? 10.306  12.619  5.860   1.00 60.06 56 B 1 
ATOM 954 C CB  . ILE B 2 56 ? 11.483  9.937   7.525   1.00 62.82 56 B 1 
ATOM 955 C CG1 . ILE B 2 56 ? 11.029  9.104   8.744   1.00 62.47 56 B 1 
ATOM 956 C CG2 . ILE B 2 56 ? 12.307  11.153  8.007   1.00 59.23 56 B 1 
ATOM 957 C CD1 . ILE B 2 56 ? 12.167  8.322   9.408   1.00 55.95 56 B 1 
ATOM 958 N N   . ILE B 2 57 ? 11.243  11.077  4.548   1.00 64.01 57 B 1 
ATOM 959 C CA  . ILE B 2 57 ? 11.594  12.008  3.460   1.00 63.95 57 B 1 
ATOM 960 C C   . ILE B 2 57 ? 10.337  12.693  2.910   1.00 62.18 57 B 1 
ATOM 961 O O   . ILE B 2 57 ? 10.365  13.880  2.616   1.00 60.91 57 B 1 
ATOM 962 C CB  . ILE B 2 57 ? 12.366  11.265  2.345   1.00 65.23 57 B 1 
ATOM 963 C CG1 . ILE B 2 57 ? 13.766  10.843  2.848   1.00 65.85 57 B 1 
ATOM 964 C CG2 . ILE B 2 57 ? 12.520  12.137  1.077   1.00 62.57 57 B 1 
ATOM 965 C CD1 . ILE B 2 57 ? 14.427  9.766   1.974   1.00 59.94 57 B 1 
ATOM 966 N N   . PHE B 2 58 ? 9.227   11.977  2.805   1.00 59.02 58 B 1 
ATOM 967 C CA  . PHE B 2 58 ? 7.975   12.535  2.292   1.00 58.62 58 B 1 
ATOM 968 C C   . PHE B 2 58 ? 7.278   13.474  3.293   1.00 57.40 58 B 1 
ATOM 969 O O   . PHE B 2 58 ? 6.549   14.378  2.892   1.00 56.70 58 B 1 
ATOM 970 C CB  . PHE B 2 58 ? 7.060   11.382  1.870   1.00 57.53 58 B 1 
ATOM 971 C CG  . PHE B 2 58 ? 6.145   11.779  0.737   1.00 55.03 58 B 1 
ATOM 972 C CD1 . PHE B 2 58 ? 4.922   12.411  0.996   1.00 51.10 58 B 1 
ATOM 973 C CD2 . PHE B 2 58 ? 6.562   11.565  -0.591  1.00 52.38 58 B 1 
ATOM 974 C CE1 . PHE B 2 58 ? 4.111   12.833  -0.073  1.00 49.39 58 B 1 
ATOM 975 C CE2 . PHE B 2 58 ? 5.751   11.983  -1.660  1.00 48.45 58 B 1 
ATOM 976 C CZ  . PHE B 2 58 ? 4.530   12.621  -1.399  1.00 47.88 58 B 1 
ATOM 977 N N   . LEU B 2 59 ? 7.498   13.278  4.591   1.00 60.36 59 B 1 
ATOM 978 C CA  . LEU B 2 59 ? 6.947   14.129  5.656   1.00 59.69 59 B 1 
ATOM 979 C C   . LEU B 2 59 ? 7.738   15.431  5.853   1.00 57.45 59 B 1 
ATOM 980 O O   . LEU B 2 59 ? 7.172   16.413  6.331   1.00 55.71 59 B 1 
ATOM 981 C CB  . LEU B 2 59 ? 6.915   13.330  6.969   1.00 59.42 59 B 1 
ATOM 982 C CG  . LEU B 2 59 ? 5.775   12.299  7.058   1.00 57.60 59 B 1 
ATOM 983 C CD1 . LEU B 2 59 ? 5.988   11.391  8.271   1.00 53.82 59 B 1 
ATOM 984 C CD2 . LEU B 2 59 ? 4.417   12.986  7.218   1.00 54.11 59 B 1 
ATOM 985 N N   . THR B 2 60 ? 9.023   15.455  5.528   1.00 62.43 60 B 1 
ATOM 986 C CA  . THR B 2 60 ? 9.919   16.619  5.673   1.00 62.10 60 B 1 
ATOM 987 C C   . THR B 2 60 ? 10.065  17.383  4.364   1.00 57.82 60 B 1 
ATOM 988 O O   . THR B 2 60 ? 10.046  18.625  4.417   1.00 55.41 60 B 1 
ATOM 989 C CB  . THR B 2 60 ? 11.307  16.196  6.168   1.00 57.39 60 B 1 
ATOM 990 O OG1 . THR B 2 60 ? 11.865  15.206  5.315   1.00 51.76 60 B 1 
ATOM 991 C CG2 . THR B 2 60 ? 11.252  15.623  7.586   1.00 52.02 60 B 1 
ATOM 992 O OXT . THR B 2 60 ? 10.218  16.736  3.323   1.00 53.06 60 B 1 
#
