# 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_happy-dentist
#
_entry.id happy-dentist
#
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" 
?               ?       LIG_B ? ?               C=C(C(=O)[O-])O[C@@H]1C=C(C=C[C@H]1O)C(=O)[O-] ? non-polymer         
"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" 
"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 
#
loop_
_entity.id
_entity.pdbx_description
_entity.type
1 . polymer     
2 . non-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 MET 1  
1 n GLN 2  
1 n LYS 3  
1 n ASN 4  
1 n LEU 5  
1 n ASP 6  
1 n SER 7  
1 n LEU 8  
1 n LEU 9  
1 n GLU 10 
1 n ASN 11 
1 n LEU 12 
1 n ARG 13 
1 n ALA 14 
1 n GLU 15 
1 n ILE 16 
1 n ASP 17 
1 n ALA 18 
1 n LEU 19 
1 n ASP 20 
1 n ASN 21 
1 n GLU 22 
1 n LEU 23 
1 n SER 24 
1 n ASP 25 
1 n LEU 26 
1 n LEU 27 
1 n ASP 28 
1 n LYS 29 
1 n ARG 30 
1 n LEU 31 
1 n GLU 32 
1 n ILE 33 
1 n ALA 34 
1 n LEU 35 
1 n LYS 36 
1 n ILE 37 
1 n ALA 38 
1 n LEU 39 
1 n ILE 40 
1 n LYS 41 
1 n GLN 42 
1 n GLU 43 
1 n SER 44 
1 n PRO 45 
1 n ILE 46 
1 n TYR 47 
1 n CYS 48 
1 n PRO 49 
1 n LYS 50 
1 n ARG 51 
1 n GLU 52 
1 n GLN 53 
1 n GLU 54 
1 n ILE 55 
1 n LEU 56 
1 n LYS 57 
1 n ARG 58 
1 n LEU 59 
1 n SER 60 
1 n GLN 61 
1 n ARG 62 
1 n ASP 63 
1 n PHE 64 
1 n LYS 65 
1 n HIS 66 
1 n LEU 67 
1 n ASN 68 
1 n GLY 69 
1 n GLU 70 
1 n ILE 71 
1 n LEU 72 
1 n THR 73 
1 n GLY 74 
1 n PHE 75 
1 n TYR 76 
1 n THR 77 
1 n GLU 78 
1 n VAL 79 
1 n PHE 80 
1 n LYS 81 
1 n ILE 82 
1 n SER 83 
1 n ARG 84 
1 n LYS 85 
1 n PHE 86 
1 n GLN 87 
1 n GLU 88 
1 n ASN 89 
1 n ALA 90 
1 n LEU 91 
1 n LYS 92 
1 n GLU 93 
1 n LEU 94 
1 n LYS 95 
1 n LYS 96 
#
_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 @ 2025-07-24 20:43:18)"
_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 87.94
_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 62.90 1 1  
A GLN   2  2 65.73 1 2  
A LYS   3  2 68.97 1 3  
A ASN   4  2 77.30 1 4  
A LEU   5  2 81.67 1 5  
A ASP   6  2 84.35 1 6  
A SER   7  2 86.54 1 7  
A LEU   8  2 82.11 1 8  
A LEU   9  2 85.78 1 9  
A GLU   10 2 84.27 1 10 
A ASN   11 2 89.88 1 11 
A LEU   12 2 93.71 1 12 
A ARG   13 2 90.10 1 13 
A ALA   14 2 96.64 1 14 
A GLU   15 2 93.63 1 15 
A ILE   16 2 97.29 1 16 
A ASP   17 2 97.08 1 17 
A ALA   18 2 98.57 1 18 
A LEU   19 2 97.67 1 19 
A ASP   20 2 98.37 1 20 
A ASN   21 2 97.25 1 21 
A GLU   22 2 93.61 1 22 
A LEU   23 2 96.17 1 23 
A SER   24 2 97.95 1 24 
A ASP   25 2 97.78 1 25 
A LEU   26 2 97.98 1 26 
A LEU   27 2 95.55 1 27 
A ASP   28 2 97.14 1 28 
A LYS   29 2 92.13 1 29 
A ARG   30 2 94.51 1 30 
A LEU   31 2 94.85 1 31 
A GLU   32 2 91.81 1 32 
A ILE   33 2 94.51 1 33 
A ALA   34 2 92.82 1 34 
A LEU   35 2 89.06 1 35 
A LYS   36 2 89.55 1 36 
A ILE   37 2 90.10 1 37 
A ALA   38 2 89.90 1 38 
A LEU   39 2 84.95 1 39 
A ILE   40 2 84.82 1 40 
A LYS   41 2 76.98 1 41 
A GLN   42 2 71.03 1 42 
A GLU   43 2 66.91 1 43 
A SER   44 2 71.52 1 44 
A PRO   45 2 75.54 1 45 
A ILE   46 2 76.24 1 46 
A TYR   47 2 77.89 1 47 
A CYS   48 2 85.00 1 48 
A PRO   49 2 87.94 1 49 
A LYS   50 2 82.85 1 50 
A ARG   51 2 90.39 1 51 
A GLU   52 2 92.61 1 52 
A GLN   53 2 86.90 1 53 
A GLU   54 2 90.81 1 54 
A ILE   55 2 96.05 1 55 
A LEU   56 2 94.91 1 56 
A LYS   57 2 87.85 1 57 
A ARG   58 2 92.88 1 58 
A LEU   59 2 96.19 1 59 
A SER   60 2 91.76 1 60 
A GLN   61 2 87.86 1 61 
A ARG   62 2 92.20 1 62 
A ASP   63 2 88.97 1 63 
A PHE   64 2 94.89 1 64 
A LYS   65 2 88.58 1 65 
A HIS   66 2 93.48 1 66 
A LEU   67 2 94.60 1 67 
A ASN   68 2 92.51 1 68 
A GLY   69 2 93.92 1 69 
A GLU   70 2 87.00 1 70 
A ILE   71 2 96.60 1 71 
A LEU   72 2 96.49 1 72 
A THR   73 2 95.35 1 73 
A GLY   74 2 97.69 1 74 
A PHE   75 2 96.60 1 75 
A TYR   76 2 96.59 1 76 
A THR   77 2 94.71 1 77 
A GLU   78 2 93.32 1 78 
A VAL   79 2 97.04 1 79 
A PHE   80 2 95.85 1 80 
A LYS   81 2 89.46 1 81 
A ILE   82 2 94.23 1 82 
A SER   83 2 93.42 1 83 
A ARG   84 2 90.26 1 84 
A LYS   85 2 85.51 1 85 
A PHE   86 2 90.30 1 86 
A GLN   87 2 89.59 1 87 
A GLU   88 2 85.42 1 88 
A ASN   89 2 86.70 1 89 
A ALA   90 2 86.88 1 90 
A LEU   91 2 83.07 1 91 
A LYS   92 2 78.45 1 92 
A GLU   93 2 77.00 1 93 
A LEU   94 2 74.38 1 94 
A LYS   95 2 69.03 1 95 
A LYS   96 2 52.69 1 96 
B LIG_B .  2 76.11 1 97 
#
_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 ?                                                                              
#
_pdbx_nonpoly_scheme.asym_id       B
_pdbx_nonpoly_scheme.auth_seq_num  1
_pdbx_nonpoly_scheme.entity_id     2
_pdbx_nonpoly_scheme.mon_id        LIG_B
_pdbx_nonpoly_scheme.pdb_ins_code  .
_pdbx_nonpoly_scheme.pdb_seq_num   1
_pdbx_nonpoly_scheme.pdb_strand_id B
#
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 GLN . 2  A 2  
A 3  1 n LYS . 3  A 3  
A 4  1 n ASN . 4  A 4  
A 5  1 n LEU . 5  A 5  
A 6  1 n ASP . 6  A 6  
A 7  1 n SER . 7  A 7  
A 8  1 n LEU . 8  A 8  
A 9  1 n LEU . 9  A 9  
A 10 1 n GLU . 10 A 10 
A 11 1 n ASN . 11 A 11 
A 12 1 n LEU . 12 A 12 
A 13 1 n ARG . 13 A 13 
A 14 1 n ALA . 14 A 14 
A 15 1 n GLU . 15 A 15 
A 16 1 n ILE . 16 A 16 
A 17 1 n ASP . 17 A 17 
A 18 1 n ALA . 18 A 18 
A 19 1 n LEU . 19 A 19 
A 20 1 n ASP . 20 A 20 
A 21 1 n ASN . 21 A 21 
A 22 1 n GLU . 22 A 22 
A 23 1 n LEU . 23 A 23 
A 24 1 n SER . 24 A 24 
A 25 1 n ASP . 25 A 25 
A 26 1 n LEU . 26 A 26 
A 27 1 n LEU . 27 A 27 
A 28 1 n ASP . 28 A 28 
A 29 1 n LYS . 29 A 29 
A 30 1 n ARG . 30 A 30 
A 31 1 n LEU . 31 A 31 
A 32 1 n GLU . 32 A 32 
A 33 1 n ILE . 33 A 33 
A 34 1 n ALA . 34 A 34 
A 35 1 n LEU . 35 A 35 
A 36 1 n LYS . 36 A 36 
A 37 1 n ILE . 37 A 37 
A 38 1 n ALA . 38 A 38 
A 39 1 n LEU . 39 A 39 
A 40 1 n ILE . 40 A 40 
A 41 1 n LYS . 41 A 41 
A 42 1 n GLN . 42 A 42 
A 43 1 n GLU . 43 A 43 
A 44 1 n SER . 44 A 44 
A 45 1 n PRO . 45 A 45 
A 46 1 n ILE . 46 A 46 
A 47 1 n TYR . 47 A 47 
A 48 1 n CYS . 48 A 48 
A 49 1 n PRO . 49 A 49 
A 50 1 n LYS . 50 A 50 
A 51 1 n ARG . 51 A 51 
A 52 1 n GLU . 52 A 52 
A 53 1 n GLN . 53 A 53 
A 54 1 n GLU . 54 A 54 
A 55 1 n ILE . 55 A 55 
A 56 1 n LEU . 56 A 56 
A 57 1 n LYS . 57 A 57 
A 58 1 n ARG . 58 A 58 
A 59 1 n LEU . 59 A 59 
A 60 1 n SER . 60 A 60 
A 61 1 n GLN . 61 A 61 
A 62 1 n ARG . 62 A 62 
A 63 1 n ASP . 63 A 63 
A 64 1 n PHE . 64 A 64 
A 65 1 n LYS . 65 A 65 
A 66 1 n HIS . 66 A 66 
A 67 1 n LEU . 67 A 67 
A 68 1 n ASN . 68 A 68 
A 69 1 n GLY . 69 A 69 
A 70 1 n GLU . 70 A 70 
A 71 1 n ILE . 71 A 71 
A 72 1 n LEU . 72 A 72 
A 73 1 n THR . 73 A 73 
A 74 1 n GLY . 74 A 74 
A 75 1 n PHE . 75 A 75 
A 76 1 n TYR . 76 A 76 
A 77 1 n THR . 77 A 77 
A 78 1 n GLU . 78 A 78 
A 79 1 n VAL . 79 A 79 
A 80 1 n PHE . 80 A 80 
A 81 1 n LYS . 81 A 81 
A 82 1 n ILE . 82 A 82 
A 83 1 n SER . 83 A 83 
A 84 1 n ARG . 84 A 84 
A 85 1 n LYS . 85 A 85 
A 86 1 n PHE . 86 A 86 
A 87 1 n GLN . 87 A 87 
A 88 1 n GLU . 88 A 88 
A 89 1 n ASN . 89 A 89 
A 90 1 n ALA . 90 A 90 
A 91 1 n LEU . 91 A 91 
A 92 1 n LYS . 92 A 92 
A 93 1 n GLU . 93 A 93 
A 94 1 n LEU . 94 A 94 
A 95 1 n LYS . 95 A 95 
A 96 1 n LYS . 96 A 96 
#
_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  ? 9.259   -38.102 -11.045 1.00 60.23 1  A 1 
ATOM   2   C CA  . MET   A 1 1  ? 9.832   -36.755 -11.173 1.00 70.78 1  A 1 
ATOM   3   C C   . MET   A 1 1  ? 8.746   -35.694 -11.289 1.00 74.42 1  A 1 
ATOM   4   O O   . MET   A 1 1  ? 8.789   -34.674 -10.605 1.00 69.95 1  A 1 
ATOM   5   C CB  . MET   A 1 1  ? 10.757  -36.671 -12.395 1.00 63.67 1  A 1 
ATOM   6   C CG  . MET   A 1 1  ? 11.383  -35.307 -12.615 1.00 60.55 1  A 1 
ATOM   7   S SD  . MET   A 1 1  ? 12.525  -35.252 -13.999 1.00 54.93 1  A 1 
ATOM   8   C CE  . MET   A 1 1  ? 13.888  -36.233 -13.373 1.00 48.65 1  A 1 
ATOM   9   N N   . GLN   A 1 2  ? 7.786   -35.935 -12.156 1.00 72.57 2  A 1 
ATOM   10  C CA  . GLN   A 1 2  ? 6.702   -34.978 -12.346 1.00 75.74 2  A 1 
ATOM   11  C C   . GLN   A 1 2  ? 5.869   -34.821 -11.078 1.00 77.21 2  A 1 
ATOM   12  O O   . GLN   A 1 2  ? 5.436   -33.717 -10.738 1.00 73.45 2  A 1 
ATOM   13  C CB  . GLN   A 1 2  ? 5.815   -35.393 -13.516 1.00 69.47 2  A 1 
ATOM   14  C CG  . GLN   A 1 2  ? 4.805   -34.326 -13.927 1.00 60.93 2  A 1 
ATOM   15  C CD  . GLN   A 1 2  ? 4.036   -34.710 -15.170 1.00 56.57 2  A 1 
ATOM   16  O OE1 . GLN   A 1 2  ? 3.734   -35.880 -15.389 1.00 55.23 2  A 1 
ATOM   17  N NE2 . GLN   A 1 2  ? 3.710   -33.725 -15.995 1.00 50.36 2  A 1 
ATOM   18  N N   . LYS   A 1 3  ? 5.656   -35.925 -10.377 1.00 77.36 3  A 1 
ATOM   19  C CA  . LYS   A 1 3  ? 4.904   -35.873 -9.127  1.00 79.98 3  A 1 
ATOM   20  C C   . LYS   A 1 3  ? 5.646   -35.049 -8.077  1.00 82.61 3  A 1 
ATOM   21  O O   . LYS   A 1 3  ? 5.025   -34.329 -7.290  1.00 78.23 3  A 1 
ATOM   22  C CB  . LYS   A 1 3  ? 4.639   -37.287 -8.597  1.00 72.72 3  A 1 
ATOM   23  C CG  . LYS   A 1 3  ? 3.634   -38.067 -9.432  1.00 64.70 3  A 1 
ATOM   24  C CD  . LYS   A 1 3  ? 3.358   -39.433 -8.829  1.00 60.05 3  A 1 
ATOM   25  C CE  . LYS   A 1 3  ? 2.329   -40.196 -9.648  1.00 55.36 3  A 1 
ATOM   26  N NZ  . LYS   A 1 3  ? 2.048   -41.543 -9.080  1.00 49.76 3  A 1 
ATOM   27  N N   . ASN   A 1 4  ? 6.974   -35.154 -8.070  1.00 82.13 4  A 1 
ATOM   28  C CA  . ASN   A 1 4  ? 7.781   -34.364 -7.147  1.00 86.93 4  A 1 
ATOM   29  C C   . ASN   A 1 4  ? 7.678   -32.876 -7.465  1.00 88.35 4  A 1 
ATOM   30  O O   . ASN   A 1 4  ? 7.576   -32.041 -6.560  1.00 85.31 4  A 1 
ATOM   31  C CB  . ASN   A 1 4  ? 9.247   -34.804 -7.192  1.00 78.42 4  A 1 
ATOM   32  C CG  . ASN   A 1 4  ? 9.461   -36.163 -6.558  1.00 69.53 4  A 1 
ATOM   33  O OD1 . ASN   A 1 4  ? 8.687   -36.596 -5.706  1.00 64.06 4  A 1 
ATOM   34  N ND2 . ASN   A 1 4  ? 10.523  -36.844 -6.968  1.00 63.65 4  A 1 
ATOM   35  N N   . LEU   A 1 5  ? 7.711   -32.536 -8.750  1.00 86.54 5  A 1 
ATOM   36  C CA  . LEU   A 1 5  ? 7.595   -31.145 -9.175  1.00 88.62 5  A 1 
ATOM   37  C C   . LEU   A 1 5  ? 6.220   -30.584 -8.830  1.00 89.68 5  A 1 
ATOM   38  O O   . LEU   A 1 5  ? 6.100   -29.439 -8.390  1.00 87.24 5  A 1 
ATOM   39  C CB  . LEU   A 1 5  ? 7.850   -31.018 -10.679 1.00 84.48 5  A 1 
ATOM   40  C CG  . LEU   A 1 5  ? 9.276   -31.322 -11.143 1.00 75.31 5  A 1 
ATOM   41  C CD1 . LEU   A 1 5  ? 9.356   -31.271 -12.663 1.00 70.41 5  A 1 
ATOM   42  C CD2 . LEU   A 1 5  ? 10.260  -30.343 -10.522 1.00 71.11 5  A 1 
ATOM   43  N N   . ASP   A 1 6  ? 5.186   -31.386 -9.042  1.00 89.13 6  A 1 
ATOM   44  C CA  . ASP   A 1 6  ? 3.829   -30.955 -8.720  1.00 90.07 6  A 1 
ATOM   45  C C   . ASP   A 1 6  ? 3.677   -30.723 -7.220  1.00 91.39 6  A 1 
ATOM   46  O O   . ASP   A 1 6  ? 3.029   -29.763 -6.792  1.00 90.06 6  A 1 
ATOM   47  C CB  . ASP   A 1 6  ? 2.808   -31.994 -9.190  1.00 85.72 6  A 1 
ATOM   48  C CG  . ASP   A 1 6  ? 2.707   -32.069 -10.704 1.00 80.24 6  A 1 
ATOM   49  O OD1 . ASP   A 1 6  ? 3.088   -31.096 -11.381 1.00 75.08 6  A 1 
ATOM   50  O OD2 . ASP   A 1 6  ? 2.237   -33.104 -11.218 1.00 73.15 6  A 1 
ATOM   51  N N   . SER   A 1 7  ? 4.280   -31.600 -6.427  1.00 88.59 7  A 1 
ATOM   52  C CA  . SER   A 1 7  ? 4.224   -31.469 -4.974  1.00 90.35 7  A 1 
ATOM   53  C C   . SER   A 1 7  ? 4.961   -30.213 -4.515  1.00 92.41 7  A 1 
ATOM   54  O O   . SER   A 1 7  ? 4.485   -29.486 -3.637  1.00 89.63 7  A 1 
ATOM   55  C CB  . SER   A 1 7  ? 4.823   -32.704 -4.303  1.00 85.04 7  A 1 
ATOM   56  O OG  . SER   A 1 7  ? 4.767   -32.596 -2.895  1.00 73.19 7  A 1 
ATOM   57  N N   . LEU   A 1 8  ? 6.128   -29.960 -5.113  1.00 87.88 8  A 1 
ATOM   58  C CA  . LEU   A 1 8  ? 6.903   -28.769 -4.783  1.00 88.89 8  A 1 
ATOM   59  C C   . LEU   A 1 8  ? 6.122   -27.508 -5.136  1.00 90.23 8  A 1 
ATOM   60  O O   . LEU   A 1 8  ? 6.104   -26.539 -4.371  1.00 89.57 8  A 1 
ATOM   61  C CB  . LEU   A 1 8  ? 8.242   -28.780 -5.522  1.00 86.33 8  A 1 
ATOM   62  C CG  . LEU   A 1 8  ? 9.128   -27.540 -5.353  1.00 73.23 8  A 1 
ATOM   63  C CD1 . LEU   A 1 8  ? 9.464   -27.319 -3.886  1.00 69.20 8  A 1 
ATOM   64  C CD2 . LEU   A 1 8  ? 10.399  -27.685 -6.181  1.00 71.54 8  A 1 
ATOM   65  N N   . LEU   A 1 9  ? 5.477   -27.516 -6.296  1.00 90.93 9  A 1 
ATOM   66  C CA  . LEU   A 1 9  ? 4.678   -26.378 -6.738  1.00 90.82 9  A 1 
ATOM   67  C C   . LEU   A 1 9  ? 3.542   -26.095 -5.759  1.00 91.63 9  A 1 
ATOM   68  O O   . LEU   A 1 9  ? 3.269   -24.936 -5.430  1.00 92.80 9  A 1 
ATOM   69  C CB  . LEU   A 1 9  ? 4.120   -26.635 -8.135  1.00 89.29 9  A 1 
ATOM   70  C CG  . LEU   A 1 9  ? 3.266   -25.518 -8.750  1.00 79.66 9  A 1 
ATOM   71  C CD1 . LEU   A 1 9  ? 4.062   -24.228 -8.841  1.00 74.46 9  A 1 
ATOM   72  C CD2 . LEU   A 1 9  ? 2.767   -25.943 -10.121 1.00 76.64 9  A 1 
ATOM   73  N N   . GLU   A 1 10 ? 2.886   -27.154 -5.296  1.00 94.13 10 A 1 
ATOM   74  C CA  . GLU   A 1 10 ? 1.796   -26.998 -4.335  1.00 93.81 10 A 1 
ATOM   75  C C   . GLU   A 1 10 ? 2.294   -26.392 -3.024  1.00 95.16 10 A 1 
ATOM   76  O O   . GLU   A 1 10 ? 1.629   -25.534 -2.436  1.00 95.10 10 A 1 
ATOM   77  C CB  . GLU   A 1 10 ? 1.119   -28.342 -4.054  1.00 92.17 10 A 1 
ATOM   78  C CG  . GLU   A 1 10 ? 0.174   -28.799 -5.151  1.00 81.98 10 A 1 
ATOM   79  C CD  . GLU   A 1 10 ? -0.624  -30.032 -4.756  1.00 71.99 10 A 1 
ATOM   80  O OE1 . GLU   A 1 10 ? -0.132  -30.826 -3.930  1.00 67.30 10 A 1 
ATOM   81  O OE2 . GLU   A 1 10 ? -1.748  -30.201 -5.272  1.00 66.76 10 A 1 
ATOM   82  N N   . ASN   A 1 11 ? 3.463   -26.840 -2.574  1.00 94.50 11 A 1 
ATOM   83  C CA  . ASN   A 1 11 ? 4.030   -26.317 -1.334  1.00 95.01 11 A 1 
ATOM   84  C C   . ASN   A 1 11 ? 4.378   -24.836 -1.456  1.00 96.20 11 A 1 
ATOM   85  O O   . ASN   A 1 11 ? 4.121   -24.049 -0.541  1.00 95.89 11 A 1 
ATOM   86  C CB  . ASN   A 1 11 ? 5.277   -27.112 -0.937  1.00 93.48 11 A 1 
ATOM   87  C CG  . ASN   A 1 11 ? 4.946   -28.523 -0.489  1.00 86.41 11 A 1 
ATOM   88  O OD1 . ASN   A 1 11 ? 3.825   -28.810 -0.062  1.00 79.18 11 A 1 
ATOM   89  N ND2 . ASN   A 1 11 ? 5.921   -29.418 -0.573  1.00 78.36 11 A 1 
ATOM   90  N N   . LEU   A 1 12 ? 4.964   -24.449 -2.587  1.00 94.44 12 A 1 
ATOM   91  C CA  . LEU   A 1 12 ? 5.330   -23.053 -2.803  1.00 94.95 12 A 1 
ATOM   92  C C   . LEU   A 1 12 ? 4.094   -22.168 -2.916  1.00 96.12 12 A 1 
ATOM   93  O O   . LEU   A 1 12 ? 4.081   -21.037 -2.424  1.00 96.66 12 A 1 
ATOM   94  C CB  . LEU   A 1 12 ? 6.195   -22.919 -4.059  1.00 94.61 12 A 1 
ATOM   95  C CG  . LEU   A 1 12 ? 7.585   -23.553 -3.964  1.00 92.99 12 A 1 
ATOM   96  C CD1 . LEU   A 1 12 ? 8.277   -23.528 -5.316  1.00 89.96 12 A 1 
ATOM   97  C CD2 . LEU   A 1 12 ? 8.425   -22.836 -2.918  1.00 89.96 12 A 1 
ATOM   98  N N   . ARG   A 1 13 ? 3.055   -22.677 -3.560  1.00 95.98 13 A 1 
ATOM   99  C CA  . ARG   A 1 13 ? 1.813   -21.918 -3.687  1.00 96.19 13 A 1 
ATOM   100 C C   . ARG   A 1 13 ? 1.129   -21.746 -2.336  1.00 96.86 13 A 1 
ATOM   101 O O   . ARG   A 1 13 ? 0.465   -20.732 -2.098  1.00 97.36 13 A 1 
ATOM   102 C CB  . ARG   A 1 13 ? 0.872   -22.594 -4.687  1.00 95.18 13 A 1 
ATOM   103 C CG  . ARG   A 1 13 ? 1.292   -22.361 -6.130  1.00 93.41 13 A 1 
ATOM   104 C CD  . ARG   A 1 13 ? 0.390   -23.070 -7.123  1.00 90.60 13 A 1 
ATOM   105 N NE  . ARG   A 1 13 ? 0.679   -22.655 -8.496  1.00 85.35 13 A 1 
ATOM   106 C CZ  . ARG   A 1 13 ? 0.169   -23.229 -9.581  1.00 84.04 13 A 1 
ATOM   107 N NH1 . ARG   A 1 13 ? -0.655  -24.260 -9.469  1.00 77.97 13 A 1 
ATOM   108 N NH2 . ARG   A 1 13 ? 0.489   -22.768 -10.778 1.00 78.17 13 A 1 
ATOM   109 N N   . ALA   A 1 14 ? 1.293   -22.726 -1.456  1.00 96.41 14 A 1 
ATOM   110 C CA  . ALA   A 1 14 ? 0.746   -22.620 -0.108  1.00 96.52 14 A 1 
ATOM   111 C C   . ALA   A 1 14 ? 1.449   -21.498 0.654   1.00 97.21 14 A 1 
ATOM   112 O O   . ALA   A 1 14 ? 0.820   -20.767 1.425   1.00 97.30 14 A 1 
ATOM   113 C CB  . ALA   A 1 14 ? 0.892   -23.945 0.634   1.00 95.74 14 A 1 
ATOM   114 N N   . GLU   A 1 15 ? 2.764   -21.363 0.439   1.00 97.73 15 A 1 
ATOM   115 C CA  . GLU   A 1 15 ? 3.522   -20.283 1.066   1.00 97.80 15 A 1 
ATOM   116 C C   . GLU   A 1 15 ? 3.050   -18.926 0.551   1.00 98.25 15 A 1 
ATOM   117 O O   . GLU   A 1 15 ? 2.921   -17.967 1.319   1.00 98.31 15 A 1 
ATOM   118 C CB  . GLU   A 1 15 ? 5.022   -20.440 0.798   1.00 97.38 15 A 1 
ATOM   119 C CG  . GLU   A 1 15 ? 5.658   -21.646 1.476   1.00 92.26 15 A 1 
ATOM   120 C CD  . GLU   A 1 15 ? 7.164   -21.687 1.281   1.00 89.93 15 A 1 
ATOM   121 O OE1 . GLU   A 1 15 ? 7.810   -20.629 1.403   1.00 85.32 15 A 1 
ATOM   122 O OE2 . GLU   A 1 15 ? 7.700   -22.775 1.002   1.00 85.67 15 A 1 
ATOM   123 N N   . ILE   A 1 16 ? 2.800   -18.842 -0.757  1.00 98.28 16 A 1 
ATOM   124 C CA  . ILE   A 1 16 ? 2.315   -17.600 -1.351  1.00 98.37 16 A 1 
ATOM   125 C C   . ILE   A 1 16 ? 0.934   -17.250 -0.802  1.00 98.57 16 A 1 
ATOM   126 O O   . ILE   A 1 16 ? 0.644   -16.082 -0.529  1.00 98.65 16 A 1 
ATOM   127 C CB  . ILE   A 1 16 ? 2.282   -17.699 -2.892  1.00 98.11 16 A 1 
ATOM   128 C CG1 . ILE   A 1 16 ? 3.712   -17.716 -3.433  1.00 96.79 16 A 1 
ATOM   129 C CG2 . ILE   A 1 16 ? 1.493   -16.543 -3.502  1.00 96.87 16 A 1 
ATOM   130 C CD1 . ILE   A 1 16 ? 3.811   -17.930 -4.929  1.00 92.66 16 A 1 
ATOM   131 N N   . ASP   A 1 17 ? 0.086   -18.250 -0.625  1.00 98.29 17 A 1 
ATOM   132 C CA  . ASP   A 1 17 ? -1.248  -18.018 -0.069  1.00 98.37 17 A 1 
ATOM   133 C C   . ASP   A 1 17 ? -1.156  -17.392 1.321   1.00 98.60 17 A 1 
ATOM   134 O O   . ASP   A 1 17 ? -1.891  -16.456 1.642   1.00 98.59 17 A 1 
ATOM   135 C CB  . ASP   A 1 17 ? -2.043  -19.327 0.008   1.00 98.00 17 A 1 
ATOM   136 C CG  . ASP   A 1 17 ? -2.490  -19.823 -1.361  1.00 96.80 17 A 1 
ATOM   137 O OD1 . ASP   A 1 17 ? -2.466  -19.031 -2.324  1.00 94.25 17 A 1 
ATOM   138 O OD2 . ASP   A 1 17 ? -2.873  -21.006 -1.467  1.00 93.73 17 A 1 
ATOM   139 N N   . ALA   A 1 18 ? -0.250  -17.913 2.143   1.00 98.71 18 A 1 
ATOM   140 C CA  . ALA   A 1 18 ? -0.061  -17.382 3.491   1.00 98.62 18 A 1 
ATOM   141 C C   . ALA   A 1 18 ? 0.440   -15.940 3.443   1.00 98.70 18 A 1 
ATOM   142 O O   . ALA   A 1 18 ? -0.010  -15.089 4.217   1.00 98.50 18 A 1 
ATOM   143 C CB  . ALA   A 1 18 ? 0.913   -18.259 4.275   1.00 98.32 18 A 1 
ATOM   144 N N   . LEU   A 1 19 ? 1.374   -15.665 2.533   1.00 98.80 19 A 1 
ATOM   145 C CA  . LEU   A 1 19 ? 1.906   -14.313 2.385   1.00 98.74 19 A 1 
ATOM   146 C C   . LEU   A 1 19 ? 0.851   -13.351 1.854   1.00 98.75 19 A 1 
ATOM   147 O O   . LEU   A 1 19 ? 0.798   -12.190 2.265   1.00 98.58 19 A 1 
ATOM   148 C CB  . LEU   A 1 19 ? 3.128   -14.322 1.462   1.00 98.59 19 A 1 
ATOM   149 C CG  . LEU   A 1 19 ? 4.385   -14.971 2.050   1.00 97.52 19 A 1 
ATOM   150 C CD1 . LEU   A 1 19 ? 5.442   -15.163 0.974   1.00 95.21 19 A 1 
ATOM   151 C CD2 . LEU   A 1 19 ? 4.930   -14.125 3.190   1.00 95.18 19 A 1 
ATOM   152 N N   . ASP   A 1 20 ? 0.010   -13.830 0.936   1.00 98.88 20 A 1 
ATOM   153 C CA  . ASP   A 1 20 ? -1.057  -12.992 0.392   1.00 98.87 20 A 1 
ATOM   154 C C   . ASP   A 1 20 ? -2.087  -12.636 1.461   1.00 98.87 20 A 1 
ATOM   155 O O   . ASP   A 1 20 ? -2.676  -11.554 1.424   1.00 98.82 20 A 1 
ATOM   156 C CB  . ASP   A 1 20 ? -1.742  -13.687 -0.788  1.00 98.80 20 A 1 
ATOM   157 C CG  . ASP   A 1 20 ? -0.939  -13.565 -2.074  1.00 98.43 20 A 1 
ATOM   158 O OD1 . ASP   A 1 20 ? -0.104  -12.642 -2.175  1.00 97.13 20 A 1 
ATOM   159 O OD2 . ASP   A 1 20 ? -1.155  -14.387 -2.989  1.00 97.12 20 A 1 
ATOM   160 N N   . ASN   A 1 21 ? -2.302  -13.542 2.411   1.00 98.88 21 A 1 
ATOM   161 C CA  . ASN   A 1 21 ? -3.202  -13.246 3.523   1.00 98.84 21 A 1 
ATOM   162 C C   . ASN   A 1 21 ? -2.651  -12.091 4.355   1.00 98.85 21 A 1 
ATOM   163 O O   . ASN   A 1 21 ? -3.386  -11.172 4.727   1.00 98.71 21 A 1 
ATOM   164 C CB  . ASN   A 1 21 ? -3.401  -14.478 4.412   1.00 98.74 21 A 1 
ATOM   165 C CG  . ASN   A 1 21 ? -4.288  -15.527 3.763   1.00 98.08 21 A 1 
ATOM   166 O OD1 . ASN   A 1 21 ? -5.055  -15.231 2.844   1.00 93.59 21 A 1 
ATOM   167 N ND2 . ASN   A 1 21 ? -4.196  -16.763 4.244   1.00 92.30 21 A 1 
ATOM   168 N N   . GLU   A 1 22 ? -1.349  -12.138 4.647   1.00 98.88 22 A 1 
ATOM   169 C CA  . GLU   A 1 22 ? -0.713  -11.074 5.423   1.00 98.79 22 A 1 
ATOM   170 C C   . GLU   A 1 22 ? -0.670  -9.766  4.638   1.00 98.77 22 A 1 
ATOM   171 O O   . GLU   A 1 22 ? -0.937  -8.692  5.189   1.00 98.48 22 A 1 
ATOM   172 C CB  . GLU   A 1 22 ? 0.708   -11.476 5.832   1.00 98.62 22 A 1 
ATOM   173 C CG  . GLU   A 1 22 ? 0.767   -12.657 6.790   1.00 94.00 22 A 1 
ATOM   174 C CD  . GLU   A 1 22 ? 2.173   -12.909 7.310   1.00 89.10 22 A 1 
ATOM   175 O OE1 . GLU   A 1 22 ? 2.940   -11.936 7.453   1.00 83.13 22 A 1 
ATOM   176 O OE2 . GLU   A 1 22 ? 2.508   -14.078 7.579   1.00 82.70 22 A 1 
ATOM   177 N N   . LEU   A 1 23 ? -0.332  -9.855  3.351   1.00 98.68 23 A 1 
ATOM   178 C CA  . LEU   A 1 23 ? -0.240  -8.666  2.507   1.00 98.48 23 A 1 
ATOM   179 C C   . LEU   A 1 23 ? -1.585  -7.956  2.396   1.00 98.43 23 A 1 
ATOM   180 O O   . LEU   A 1 23 ? -1.666  -6.732  2.535   1.00 98.06 23 A 1 
ATOM   181 C CB  . LEU   A 1 23 ? 0.273   -9.048  1.115   1.00 98.04 23 A 1 
ATOM   182 C CG  . LEU   A 1 23 ? 0.416   -7.907  0.100   1.00 95.87 23 A 1 
ATOM   183 C CD1 . LEU   A 1 23 ? 1.365   -6.841  0.623   1.00 91.33 23 A 1 
ATOM   184 C CD2 . LEU   A 1 23 ? 0.912   -8.457  -1.231  1.00 90.50 23 A 1 
ATOM   185 N N   . SER   A 1 24 ? -2.645  -8.714  2.142   1.00 98.61 24 A 1 
ATOM   186 C CA  . SER   A 1 24 ? -3.972  -8.118  2.018   1.00 98.58 24 A 1 
ATOM   187 C C   . SER   A 1 24 ? -4.469  -7.578  3.360   1.00 98.57 24 A 1 
ATOM   188 O O   . SER   A 1 24 ? -5.150  -6.550  3.400   1.00 98.34 24 A 1 
ATOM   189 C CB  . SER   A 1 24 ? -4.968  -9.133  1.438   1.00 98.36 24 A 1 
ATOM   190 O OG  . SER   A 1 24 ? -5.024  -10.312 2.207   1.00 95.25 24 A 1 
ATOM   191 N N   . ASP   A 1 25 ? -4.132  -8.258  4.457   1.00 98.85 25 A 1 
ATOM   192 C CA  . ASP   A 1 25 ? -4.499  -7.770  5.787   1.00 98.82 25 A 1 
ATOM   193 C C   . ASP   A 1 25 ? -3.826  -6.428  6.071   1.00 98.77 25 A 1 
ATOM   194 O O   . ASP   A 1 25 ? -4.454  -5.501  6.593   1.00 98.53 25 A 1 
ATOM   195 C CB  . ASP   A 1 25 ? -4.097  -8.776  6.874   1.00 98.78 25 A 1 
ATOM   196 C CG  . ASP   A 1 25 ? -5.062  -9.951  6.973   1.00 97.48 25 A 1 
ATOM   197 O OD1 . ASP   A 1 25 ? -6.189  -9.855  6.445   1.00 95.48 25 A 1 
ATOM   198 O OD2 . ASP   A 1 25 ? -4.693  -10.968 7.598   1.00 95.56 25 A 1 
ATOM   199 N N   . LEU   A 1 26 ? -2.541  -6.322  5.728   1.00 98.80 26 A 1 
ATOM   200 C CA  . LEU   A 1 26 ? -1.798  -5.088  5.963   1.00 98.73 26 A 1 
ATOM   201 C C   . LEU   A 1 26 ? -2.315  -3.949  5.091   1.00 98.62 26 A 1 
ATOM   202 O O   . LEU   A 1 26 ? -2.385  -2.803  5.537   1.00 98.17 26 A 1 
ATOM   203 C CB  . LEU   A 1 26 ? -0.304  -5.313  5.714   1.00 98.64 26 A 1 
ATOM   204 C CG  . LEU   A 1 26 ? 0.405   -6.170  6.770   1.00 97.98 26 A 1 
ATOM   205 C CD1 . LEU   A 1 26 ? 1.820   -6.498  6.333   1.00 96.52 26 A 1 
ATOM   206 C CD2 . LEU   A 1 26 ? 0.414   -5.453  8.114   1.00 96.34 26 A 1 
ATOM   207 N N   . LEU   A 1 27 ? -2.682  -4.252  3.853   1.00 98.38 27 A 1 
ATOM   208 C CA  . LEU   A 1 27 ? -3.249  -3.239  2.969   1.00 98.13 27 A 1 
ATOM   209 C C   . LEU   A 1 27 ? -4.584  -2.747  3.522   1.00 98.12 27 A 1 
ATOM   210 O O   . LEU   A 1 27 ? -4.882  -1.552  3.481   1.00 97.89 27 A 1 
ATOM   211 C CB  . LEU   A 1 27 ? -3.433  -3.800  1.558   1.00 97.70 27 A 1 
ATOM   212 C CG  . LEU   A 1 27 ? -4.063  -2.853  0.533   1.00 92.86 27 A 1 
ATOM   213 C CD1 . LEU   A 1 27 ? -3.243  -1.579  0.404   1.00 90.36 27 A 1 
ATOM   214 C CD2 . LEU   A 1 27 ? -4.185  -3.549  -0.816  1.00 90.96 27 A 1 
ATOM   215 N N   . ASP   A 1 28 ? -5.379  -3.665  4.043   1.00 98.22 28 A 1 
ATOM   216 C CA  . ASP   A 1 28 ? -6.673  -3.323  4.633   1.00 98.14 28 A 1 
ATOM   217 C C   . ASP   A 1 28 ? -6.495  -2.377  5.820   1.00 97.98 28 A 1 
ATOM   218 O O   . ASP   A 1 28 ? -7.216  -1.384  5.956   1.00 97.57 28 A 1 
ATOM   219 C CB  . ASP   A 1 28 ? -7.401  -4.595  5.077   1.00 97.94 28 A 1 
ATOM   220 C CG  . ASP   A 1 28 ? -8.874  -4.357  5.364   1.00 97.42 28 A 1 
ATOM   221 O OD1 . ASP   A 1 28 ? -9.575  -3.820  4.486   1.00 95.09 28 A 1 
ATOM   222 O OD2 . ASP   A 1 28 ? -9.328  -4.724  6.467   1.00 94.73 28 A 1 
ATOM   223 N N   . LYS   A 1 29 ? -5.520  -2.681  6.679   1.00 98.46 29 A 1 
ATOM   224 C CA  . LYS   A 1 29 ? -5.241  -1.834  7.836   1.00 98.44 29 A 1 
ATOM   225 C C   . LYS   A 1 29 ? -4.707  -0.474  7.399   1.00 98.17 29 A 1 
ATOM   226 O O   . LYS   A 1 29 ? -5.024  0.552   8.004   1.00 97.83 29 A 1 
ATOM   227 C CB  . LYS   A 1 29 ? -4.235  -2.516  8.770   1.00 98.51 29 A 1 
ATOM   228 C CG  . LYS   A 1 29 ? -4.789  -3.751  9.465   1.00 91.06 29 A 1 
ATOM   229 C CD  . LYS   A 1 29 ? -3.757  -4.392  10.372  1.00 90.07 29 A 1 
ATOM   230 C CE  . LYS   A 1 29 ? -4.311  -5.636  11.049  1.00 81.03 29 A 1 
ATOM   231 N NZ  . LYS   A 1 29 ? -3.307  -6.296  11.925  1.00 75.57 29 A 1 
ATOM   232 N N   . ARG   A 1 30 ? -3.890  -0.469  6.358   1.00 98.14 30 A 1 
ATOM   233 C CA  . ARG   A 1 30 ? -3.342  0.778   5.828   1.00 97.66 30 A 1 
ATOM   234 C C   . ARG   A 1 30 ? -4.466  1.686   5.338   1.00 97.01 30 A 1 
ATOM   235 O O   . ARG   A 1 30 ? -4.426  2.902   5.533   1.00 96.03 30 A 1 
ATOM   236 C CB  . ARG   A 1 30 ? -2.367  0.484   4.687   1.00 97.31 30 A 1 
ATOM   237 C CG  . ARG   A 1 30 ? -1.521  1.678   4.266   1.00 96.08 30 A 1 
ATOM   238 C CD  . ARG   A 1 30 ? -0.745  1.386   2.987   1.00 94.98 30 A 1 
ATOM   239 N NE  . ARG   A 1 30 ? 0.316   2.360   2.755   1.00 93.09 30 A 1 
ATOM   240 C CZ  . ARG   A 1 30 ? 0.113   3.600   2.314   1.00 93.80 30 A 1 
ATOM   241 N NH1 . ARG   A 1 30 ? -1.109  4.025   2.049   1.00 86.91 30 A 1 
ATOM   242 N NH2 . ARG   A 1 30 ? 1.139   4.415   2.143   1.00 88.65 30 A 1 
ATOM   243 N N   . LEU   A 1 31 ? -5.472  1.099   4.698   1.00 96.96 31 A 1 
ATOM   244 C CA  . LEU   A 1 31 ? -6.611  1.864   4.201   1.00 96.23 31 A 1 
ATOM   245 C C   . LEU   A 1 31 ? -7.426  2.459   5.344   1.00 95.39 31 A 1 
ATOM   246 O O   . LEU   A 1 31 ? -7.922  3.581   5.240   1.00 94.70 31 A 1 
ATOM   247 C CB  . LEU   A 1 31 ? -7.504  0.987   3.318   1.00 96.00 31 A 1 
ATOM   248 C CG  . LEU   A 1 31 ? -6.920  0.614   1.955   1.00 94.36 31 A 1 
ATOM   249 C CD1 . LEU   A 1 31 ? -7.825  -0.365  1.228   1.00 92.56 31 A 1 
ATOM   250 C CD2 . LEU   A 1 31 ? -6.706  1.866   1.112   1.00 92.60 31 A 1 
ATOM   251 N N   . GLU   A 1 32 ? -7.565  1.721   6.435   1.00 96.38 32 A 1 
ATOM   252 C CA  . GLU   A 1 32 ? -8.293  2.237   7.593   1.00 95.89 32 A 1 
ATOM   253 C C   . GLU   A 1 32 ? -7.581  3.460   8.170   1.00 95.23 32 A 1 
ATOM   254 O O   . GLU   A 1 32 ? -8.222  4.439   8.570   1.00 94.41 32 A 1 
ATOM   255 C CB  . GLU   A 1 32 ? -8.448  1.165   8.673   1.00 95.54 32 A 1 
ATOM   256 C CG  . GLU   A 1 32 ? -9.176  1.663   9.915   1.00 92.32 32 A 1 
ATOM   257 C CD  . GLU   A 1 32 ? -9.534  0.554   10.887  1.00 89.03 32 A 1 
ATOM   258 O OE1 . GLU   A 1 32 ? -9.527  -0.622  10.488  1.00 84.19 32 A 1 
ATOM   259 O OE2 . GLU   A 1 32 ? -9.833  0.868   12.057  1.00 83.31 32 A 1 
ATOM   260 N N   . ILE   A 1 33 ? -6.255  3.408   8.215   1.00 96.18 33 A 1 
ATOM   261 C CA  . ILE   A 1 33 ? -5.479  4.539   8.712   1.00 95.61 33 A 1 
ATOM   262 C C   . ILE   A 1 33 ? -5.622  5.732   7.769   1.00 94.45 33 A 1 
ATOM   263 O O   . ILE   A 1 33 ? -5.685  6.882   8.209   1.00 93.66 33 A 1 
ATOM   264 C CB  . ILE   A 1 33 ? -3.997  4.156   8.887   1.00 96.13 33 A 1 
ATOM   265 C CG1 . ILE   A 1 33 ? -3.873  3.116   10.003  1.00 95.21 33 A 1 
ATOM   266 C CG2 . ILE   A 1 33 ? -3.150  5.380   9.203   1.00 94.89 33 A 1 
ATOM   267 C CD1 . ILE   A 1 33 ? -2.483  2.552   10.171  1.00 89.93 33 A 1 
ATOM   268 N N   . ALA   A 1 34 ? -5.687  5.469   6.470   1.00 94.25 34 A 1 
ATOM   269 C CA  . ALA   A 1 34 ? -5.892  6.534   5.491   1.00 93.28 34 A 1 
ATOM   270 C C   . ALA   A 1 34 ? -7.227  7.234   5.745   1.00 92.39 34 A 1 
ATOM   271 O O   . ALA   A 1 34 ? -7.336  8.455   5.606   1.00 91.10 34 A 1 
ATOM   272 C CB  . ALA   A 1 34 ? -5.845  5.973   4.075   1.00 93.09 34 A 1 
ATOM   273 N N   . LEU   A 1 35 ? -8.245  6.463   6.117   1.00 93.32 35 A 1 
ATOM   274 C CA  . LEU   A 1 35 ? -9.551  7.032   6.442   1.00 92.39 35 A 1 
ATOM   275 C C   . LEU   A 1 35 ? -9.453  7.931   7.668   1.00 91.99 35 A 1 
ATOM   276 O O   . LEU   A 1 35 ? -10.031 9.019   7.701   1.00 90.87 35 A 1 
ATOM   277 C CB  . LEU   A 1 35 ? -10.577 5.927   6.696   1.00 91.17 35 A 1 
ATOM   278 C CG  . LEU   A 1 35 ? -10.999 5.076   5.498   1.00 86.06 35 A 1 
ATOM   279 C CD1 . LEU   A 1 35 ? -11.957 3.984   5.942   1.00 83.08 35 A 1 
ATOM   280 C CD2 . LEU   A 1 35 ? -11.641 5.949   4.432   1.00 83.59 35 A 1 
ATOM   281 N N   . LYS   A 1 36 ? -8.725  7.476   8.681   1.00 92.76 36 A 1 
ATOM   282 C CA  . LYS   A 1 36 ? -8.559  8.254   9.905   1.00 92.56 36 A 1 
ATOM   283 C C   . LYS   A 1 36 ? -7.841  9.570   9.627   1.00 92.00 36 A 1 
ATOM   284 O O   . LYS   A 1 36 ? -8.179  10.604  10.206  1.00 91.07 36 A 1 
ATOM   285 C CB  . LYS   A 1 36 ? -7.793  7.446   10.954  1.00 92.93 36 A 1 
ATOM   286 C CG  . LYS   A 1 36 ? -8.560  6.244   11.487  1.00 91.16 36 A 1 
ATOM   287 C CD  . LYS   A 1 36 ? -7.756  5.470   12.513  1.00 88.75 36 A 1 
ATOM   288 C CE  . LYS   A 1 36 ? -8.539  4.284   13.055  1.00 85.09 36 A 1 
ATOM   289 N NZ  . LYS   A 1 36 ? -7.752  3.490   14.036  1.00 79.64 36 A 1 
ATOM   290 N N   . ILE   A 1 37 ? -6.849  9.539   8.743   1.00 91.92 37 A 1 
ATOM   291 C CA  . ILE   A 1 37 ? -6.116  10.748  8.384   1.00 91.38 37 A 1 
ATOM   292 C C   . ILE   A 1 37 ? -7.045  11.753  7.714   1.00 90.47 37 A 1 
ATOM   293 O O   . ILE   A 1 37 ? -6.996  12.951  8.002   1.00 89.50 37 A 1 
ATOM   294 C CB  . ILE   A 1 37 ? -4.928  10.421  7.461   1.00 91.27 37 A 1 
ATOM   295 C CG1 . ILE   A 1 37 ? -3.864  9.646   8.237   1.00 89.77 37 A 1 
ATOM   296 C CG2 . ILE   A 1 37 ? -4.334  11.698  6.874   1.00 89.57 37 A 1 
ATOM   297 C CD1 . ILE   A 1 37 ? -2.731  9.132   7.377   1.00 86.94 37 A 1 
ATOM   298 N N   . ALA   A 1 38 ? -7.899  11.274  6.817   1.00 90.86 38 A 1 
ATOM   299 C CA  . ALA   A 1 38 ? -8.848  12.142  6.129   1.00 90.28 38 A 1 
ATOM   300 C C   . ALA   A 1 38 ? -9.826  12.774  7.116   1.00 90.03 38 A 1 
ATOM   301 O O   . ALA   A 1 38 ? -10.213 13.935  6.965   1.00 88.85 38 A 1 
ATOM   302 C CB  . ALA   A 1 38 ? -9.611  11.363  5.066   1.00 89.46 38 A 1 
ATOM   303 N N   . LEU   A 1 39 ? -10.225 12.010  8.116   1.00 90.02 39 A 1 
ATOM   304 C CA  . LEU   A 1 39 ? -11.149 12.502  9.135   1.00 88.90 39 A 1 
ATOM   305 C C   . LEU   A 1 39 ? -10.508 13.577  10.006  1.00 88.55 39 A 1 
ATOM   306 O O   . LEU   A 1 39 ? -11.168 14.530  10.422  1.00 86.10 39 A 1 
ATOM   307 C CB  . LEU   A 1 39 ? -11.636 11.349  10.015  1.00 87.12 39 A 1 
ATOM   308 C CG  . LEU   A 1 39 ? -13.018 10.761  9.703   1.00 82.22 39 A 1 
ATOM   309 C CD1 . LEU   A 1 39 ? -13.209 10.552  8.220   1.00 78.16 39 A 1 
ATOM   310 C CD2 . LEU   A 1 39 ? -13.220 9.464   10.472  1.00 78.56 39 A 1 
ATOM   311 N N   . ILE   A 1 40 ? -9.223  13.420  10.298  1.00 89.37 40 A 1 
ATOM   312 C CA  . ILE   A 1 40 ? -8.510  14.366  11.148  1.00 88.86 40 A 1 
ATOM   313 C C   . ILE   A 1 40 ? -8.153  15.646  10.401  1.00 87.88 40 A 1 
ATOM   314 O O   . ILE   A 1 40 ? -8.296  16.748  10.932  1.00 85.59 40 A 1 
ATOM   315 C CB  . ILE   A 1 40 ? -7.237  13.720  11.732  1.00 88.15 40 A 1 
ATOM   316 C CG1 . ILE   A 1 40 ? -7.620  12.593  12.689  1.00 82.00 40 A 1 
ATOM   317 C CG2 . ILE   A 1 40 ? -6.384  14.757  12.447  1.00 80.04 40 A 1 
ATOM   318 C CD1 . ILE   A 1 40 ? -6.448  11.758  13.147  1.00 76.63 40 A 1 
ATOM   319 N N   . LYS   A 1 41 ? -7.683  15.502  9.160   1.00 85.11 41 A 1 
ATOM   320 C CA  . LYS   A 1 41 ? -7.295  16.650  8.349   1.00 82.93 41 A 1 
ATOM   321 C C   . LYS   A 1 41 ? -8.377  16.922  7.302   1.00 81.47 41 A 1 
ATOM   322 O O   . LYS   A 1 41 ? -8.149  16.820  6.099   1.00 78.43 41 A 1 
ATOM   323 C CB  . LYS   A 1 41 ? -5.943  16.395  7.686   1.00 80.32 41 A 1 
ATOM   324 C CG  . LYS   A 1 41 ? -4.839  16.060  8.678   1.00 76.02 41 A 1 
ATOM   325 C CD  . LYS   A 1 41 ? -3.534  15.723  7.979   1.00 74.33 41 A 1 
ATOM   326 C CE  . LYS   A 1 41 ? -2.938  16.923  7.272   1.00 68.97 41 A 1 
ATOM   327 N NZ  . LYS   A 1 41 ? -1.626  16.604  6.655   1.00 65.23 41 A 1 
ATOM   328 N N   . GLN   A 1 42 ? -9.558  17.264  7.780   1.00 81.94 42 A 1 
ATOM   329 C CA  . GLN   A 1 42 ? -10.747 17.405  6.948   1.00 79.47 42 A 1 
ATOM   330 C C   . GLN   A 1 42 ? -10.607 18.424  5.822   1.00 77.51 42 A 1 
ATOM   331 O O   . GLN   A 1 42 ? -10.771 18.093  4.653   1.00 71.68 42 A 1 
ATOM   332 C CB  . GLN   A 1 42 ? -11.941 17.765  7.831   1.00 75.80 42 A 1 
ATOM   333 C CG  . GLN   A 1 42 ? -12.211 16.756  8.934   1.00 69.15 42 A 1 
ATOM   334 C CD  . GLN   A 1 42 ? -13.266 17.203  9.921   1.00 65.60 42 A 1 
ATOM   335 O OE1 . GLN   A 1 42 ? -13.234 16.832  11.086  1.00 59.97 42 A 1 
ATOM   336 N NE2 . GLN   A 1 42 ? -14.217 18.013  9.464   1.00 58.16 42 A 1 
ATOM   337 N N   . GLU   A 1 43 ? -10.318 19.677  6.166   1.00 79.18 43 A 1 
ATOM   338 C CA  . GLU   A 1 43 ? -10.204 20.721  5.158   1.00 76.24 43 A 1 
ATOM   339 C C   . GLU   A 1 43 ? -8.770  20.837  4.658   1.00 76.99 43 A 1 
ATOM   340 O O   . GLU   A 1 43 ? -8.088  21.837  4.881   1.00 70.33 43 A 1 
ATOM   341 C CB  . GLU   A 1 43 ? -10.696 22.054  5.713   1.00 70.46 43 A 1 
ATOM   342 C CG  . GLU   A 1 43 ? -10.928 23.111  4.655   1.00 63.24 43 A 1 
ATOM   343 C CD  . GLU   A 1 43 ? -11.533 24.380  5.217   1.00 57.33 43 A 1 
ATOM   344 O OE1 . GLU   A 1 43 ? -11.793 24.425  6.435   1.00 53.24 43 A 1 
ATOM   345 O OE2 . GLU   A 1 43 ? -11.750 25.326  4.437   1.00 55.17 43 A 1 
ATOM   346 N N   . SER   A 1 44 ? -8.327  19.788  3.970   1.00 76.38 44 A 1 
ATOM   347 C CA  . SER   A 1 44 ? -6.968  19.731  3.450   1.00 74.25 44 A 1 
ATOM   348 C C   . SER   A 1 44 ? -6.936  18.877  2.186   1.00 76.81 44 A 1 
ATOM   349 O O   . SER   A 1 44 ? -7.721  17.941  2.051   1.00 72.05 44 A 1 
ATOM   350 C CB  . SER   A 1 44 ? -6.022  19.151  4.495   1.00 67.80 44 A 1 
ATOM   351 O OG  . SER   A 1 44 ? -4.698  19.096  4.027   1.00 61.83 44 A 1 
ATOM   352 N N   . PRO   A 1 45 ? -6.044  19.195  1.246   1.00 79.07 45 A 1 
ATOM   353 C CA  . PRO   A 1 45 ? -5.942  18.411  0.014   1.00 78.93 45 A 1 
ATOM   354 C C   . PRO   A 1 45 ? -5.621  16.949  0.299   1.00 81.08 45 A 1 
ATOM   355 O O   . PRO   A 1 45 ? -4.736  16.646  1.096   1.00 75.80 45 A 1 
ATOM   356 C CB  . PRO   A 1 45 ? -4.798  19.082  -0.741  1.00 72.60 45 A 1 
ATOM   357 C CG  . PRO   A 1 45 ? -4.764  20.472  -0.203  1.00 68.49 45 A 1 
ATOM   358 C CD  . PRO   A 1 45 ? -5.131  20.336  1.248   1.00 72.81 45 A 1 
ATOM   359 N N   . ILE   A 1 46 ? -6.359  16.061  -0.353  1.00 81.32 46 A 1 
ATOM   360 C CA  . ILE   A 1 46 ? -6.122  14.630  -0.201  1.00 81.41 46 A 1 
ATOM   361 C C   . ILE   A 1 46 ? -4.842  14.234  -0.916  1.00 83.24 46 A 1 
ATOM   362 O O   . ILE   A 1 46 ? -4.018  13.483  -0.389  1.00 79.68 46 A 1 
ATOM   363 C CB  . ILE   A 1 46 ? -7.304  13.817  -0.758  1.00 77.19 46 A 1 
ATOM   364 C CG1 . ILE   A 1 46 ? -8.541  14.016  0.121   1.00 71.53 46 A 1 
ATOM   365 C CG2 . ILE   A 1 46 ? -6.948  12.337  -0.848  1.00 70.73 46 A 1 
ATOM   366 C CD1 . ILE   A 1 46 ? -9.789  13.387  -0.443  1.00 64.79 46 A 1 
ATOM   367 N N   . TYR   A 1 47 ? -4.673  14.747  -2.126  1.00 82.51 47 A 1 
ATOM   368 C CA  . TYR   A 1 47 ? -3.503  14.419  -2.927  1.00 82.94 47 A 1 
ATOM   369 C C   . TYR   A 1 47 ? -2.274  15.163  -2.409  1.00 84.53 47 A 1 
ATOM   370 O O   . TYR   A 1 47 ? -2.193  16.386  -2.495  1.00 82.69 47 A 1 
ATOM   371 C CB  . TYR   A 1 47 ? -3.766  14.771  -4.388  1.00 80.32 47 A 1 
ATOM   372 C CG  . TYR   A 1 47 ? -2.635  14.407  -5.327  1.00 79.50 47 A 1 
ATOM   373 C CD1 . TYR   A 1 47 ? -1.902  13.245  -5.150  1.00 76.03 47 A 1 
ATOM   374 C CD2 . TYR   A 1 47 ? -2.325  15.219  -6.410  1.00 75.42 47 A 1 
ATOM   375 C CE1 . TYR   A 1 47 ? -0.879  12.901  -6.016  1.00 72.48 47 A 1 
ATOM   376 C CE2 . TYR   A 1 47 ? -1.312  14.885  -7.289  1.00 73.70 47 A 1 
ATOM   377 C CZ  . TYR   A 1 47 ? -0.591  13.729  -7.084  1.00 73.82 47 A 1 
ATOM   378 O OH  . TYR   A 1 47 ? 0.421   13.393  -7.951  1.00 70.72 47 A 1 
ATOM   379 N N   . CYS   A 1 48 ? -1.338  14.408  -1.862  1.00 86.12 48 A 1 
ATOM   380 C CA  . CYS   A 1 48 ? -0.089  14.964  -1.351  1.00 87.32 48 A 1 
ATOM   381 C C   . CYS   A 1 48 ? 1.078   14.244  -2.019  1.00 89.83 48 A 1 
ATOM   382 O O   . CYS   A 1 48 ? 1.630   13.292  -1.459  1.00 88.45 48 A 1 
ATOM   383 C CB  . CYS   A 1 48 ? -0.017  14.816  0.167   1.00 83.49 48 A 1 
ATOM   384 S SG  . CYS   A 1 48 ? 1.397   15.635  0.917   1.00 74.80 48 A 1 
ATOM   385 N N   . PRO   A 1 49 ? 1.466   14.691  -3.225  1.00 88.54 49 A 1 
ATOM   386 C CA  . PRO   A 1 49 ? 2.525   14.021  -3.983  1.00 89.28 49 A 1 
ATOM   387 C C   . PRO   A 1 49 ? 3.861   13.989  -3.255  1.00 91.33 49 A 1 
ATOM   388 O O   . PRO   A 1 49 ? 4.637   13.044  -3.428  1.00 90.34 49 A 1 
ATOM   389 C CB  . PRO   A 1 49 ? 2.609   14.836  -5.278  1.00 86.80 49 A 1 
ATOM   390 C CG  . PRO   A 1 49 ? 2.011   16.156  -4.938  1.00 83.00 49 A 1 
ATOM   391 C CD  . PRO   A 1 49 ? 0.938   15.866  -3.934  1.00 86.30 49 A 1 
ATOM   392 N N   . LYS   A 1 50 ? 4.143   15.010  -2.440  1.00 91.71 50 A 1 
ATOM   393 C CA  . LYS   A 1 50 ? 5.398   15.038  -1.695  1.00 92.29 50 A 1 
ATOM   394 C C   . LYS   A 1 50 ? 5.439   13.923  -0.653  1.00 92.98 50 A 1 
ATOM   395 O O   . LYS   A 1 50 ? 6.477   13.292  -0.451  1.00 92.37 50 A 1 
ATOM   396 C CB  . LYS   A 1 50 ? 5.601   16.399  -1.030  1.00 91.40 50 A 1 
ATOM   397 C CG  . LYS   A 1 50 ? 5.903   17.520  -2.014  1.00 81.19 50 A 1 
ATOM   398 C CD  . LYS   A 1 50 ? 6.254   18.816  -1.307  1.00 76.70 50 A 1 
ATOM   399 C CE  . LYS   A 1 50 ? 6.615   19.909  -2.302  1.00 66.79 50 A 1 
ATOM   400 N NZ  . LYS   A 1 50 ? 6.981   21.181  -1.627  1.00 60.22 50 A 1 
ATOM   401 N N   . ARG   A 1 51 ? 4.314   13.682  0.009   1.00 92.53 51 A 1 
ATOM   402 C CA  . ARG   A 1 51 ? 4.223   12.608  0.994   1.00 93.16 51 A 1 
ATOM   403 C C   . ARG   A 1 51 ? 4.370   11.254  0.308   1.00 94.17 51 A 1 
ATOM   404 O O   . ARG   A 1 51 ? 5.073   10.368  0.800   1.00 94.35 51 A 1 
ATOM   405 C CB  . ARG   A 1 51 ? 2.894   12.687  1.743   1.00 92.60 51 A 1 
ATOM   406 C CG  . ARG   A 1 51 ? 2.539   11.458  2.583   1.00 90.70 51 A 1 
ATOM   407 C CD  . ARG   A 1 51 ? 3.598   11.138  3.617   1.00 89.05 51 A 1 
ATOM   408 N NE  . ARG   A 1 51 ? 3.241   9.961   4.405   1.00 88.71 51 A 1 
ATOM   409 C CZ  . ARG   A 1 51 ? 4.076   9.286   5.183   1.00 89.50 51 A 1 
ATOM   410 N NH1 . ARG   A 1 51 ? 5.340   9.670   5.297   1.00 84.53 51 A 1 
ATOM   411 N NH2 . ARG   A 1 51 ? 3.648   8.224   5.848   1.00 84.95 51 A 1 
ATOM   412 N N   . GLU   A 1 52 ? 3.716   11.089  -0.829  1.00 94.24 52 A 1 
ATOM   413 C CA  . GLU   A 1 52 ? 3.795   9.836   -1.573  1.00 94.80 52 A 1 
ATOM   414 C C   . GLU   A 1 52 ? 5.217   9.589   -2.065  1.00 95.59 52 A 1 
ATOM   415 O O   . GLU   A 1 52 ? 5.717   8.464   -2.015  1.00 95.96 52 A 1 
ATOM   416 C CB  . GLU   A 1 52 ? 2.802   9.850   -2.737  1.00 94.22 52 A 1 
ATOM   417 C CG  . GLU   A 1 52 ? 1.347   9.896   -2.277  1.00 92.75 52 A 1 
ATOM   418 C CD  . GLU   A 1 52 ? 0.353   9.898   -3.422  1.00 92.01 52 A 1 
ATOM   419 O OE1 . GLU   A 1 52 ? 0.785   9.953   -4.588  1.00 86.24 52 A 1 
ATOM   420 O OE2 . GLU   A 1 52 ? -0.862  9.850   -3.148  1.00 87.68 52 A 1 
ATOM   421 N N   . GLN   A 1 53 ? 5.886   10.640  -2.520  1.00 94.82 53 A 1 
ATOM   422 C CA  . GLN   A 1 53 ? 7.267   10.520  -2.975  1.00 94.99 53 A 1 
ATOM   423 C C   . GLN   A 1 53 ? 8.182   10.197  -1.800  1.00 95.69 53 A 1 
ATOM   424 O O   . GLN   A 1 53 ? 9.138   9.430   -1.930  1.00 95.67 53 A 1 
ATOM   425 C CB  . GLN   A 1 53 ? 7.723   11.809  -3.656  1.00 94.25 53 A 1 
ATOM   426 C CG  . GLN   A 1 53 ? 9.103   11.704  -4.288  1.00 85.97 53 A 1 
ATOM   427 C CD  . GLN   A 1 53 ? 9.171   10.632  -5.360  1.00 79.03 53 A 1 
ATOM   428 O OE1 . GLN   A 1 53 ? 8.339   10.589  -6.265  1.00 72.12 53 A 1 
ATOM   429 N NE2 . GLN   A 1 53 ? 10.163  9.756   -5.262  1.00 69.55 53 A 1 
ATOM   430 N N   . GLU   A 1 54 ? 7.895   10.795  -0.642  1.00 96.61 54 A 1 
ATOM   431 C CA  . GLU   A 1 54 ? 8.658   10.543  0.577   1.00 96.62 54 A 1 
ATOM   432 C C   . GLU   A 1 54 ? 8.597   9.066   0.952   1.00 96.95 54 A 1 
ATOM   433 O O   . GLU   A 1 54 ? 9.605   8.465   1.340   1.00 96.77 54 A 1 
ATOM   434 C CB  . GLU   A 1 54 ? 8.110   11.400  1.719   1.00 96.09 54 A 1 
ATOM   435 C CG  . GLU   A 1 54 ? 8.777   11.187  3.063   1.00 88.11 54 A 1 
ATOM   436 C CD  . GLU   A 1 54 ? 8.112   11.998  4.159   1.00 85.00 54 A 1 
ATOM   437 O OE1 . GLU   A 1 54 ? 6.999   11.636  4.576   1.00 80.17 54 A 1 
ATOM   438 O OE2 . GLU   A 1 54 ? 8.698   13.009  4.582   1.00 80.96 54 A 1 
ATOM   439 N N   . ILE   A 1 55 ? 7.403   8.490   0.835   1.00 97.22 55 A 1 
ATOM   440 C CA  . ILE   A 1 55 ? 7.215   7.074   1.137   1.00 96.88 55 A 1 
ATOM   441 C C   . ILE   A 1 55 ? 8.055   6.211   0.203   1.00 97.08 55 A 1 
ATOM   442 O O   . ILE   A 1 55 ? 8.740   5.285   0.644   1.00 96.97 55 A 1 
ATOM   443 C CB  . ILE   A 1 55 ? 5.725   6.686   1.031   1.00 96.54 55 A 1 
ATOM   444 C CG1 . ILE   A 1 55 ? 4.934   7.348   2.163   1.00 95.57 55 A 1 
ATOM   445 C CG2 . ILE   A 1 55 ? 5.548   5.172   1.067   1.00 95.49 55 A 1 
ATOM   446 C CD1 . ILE   A 1 55 ? 3.433   7.220   2.027   1.00 92.66 55 A 1 
ATOM   447 N N   . LEU   A 1 56 ? 8.006   6.518   -1.088  1.00 96.75 56 A 1 
ATOM   448 C CA  . LEU   A 1 56 ? 8.760   5.749   -2.071  1.00 96.57 56 A 1 
ATOM   449 C C   . LEU   A 1 56 ? 10.266  5.865   -1.848  1.00 96.46 56 A 1 
ATOM   450 O O   . LEU   A 1 56 ? 10.995  4.881   -1.983  1.00 95.89 56 A 1 
ATOM   451 C CB  . LEU   A 1 56 ? 8.402   6.199   -3.487  1.00 96.01 56 A 1 
ATOM   452 C CG  . LEU   A 1 56 ? 7.002   5.810   -3.971  1.00 94.05 56 A 1 
ATOM   453 C CD1 . LEU   A 1 56 ? 6.711   6.455   -5.316  1.00 92.06 56 A 1 
ATOM   454 C CD2 . LEU   A 1 56 ? 6.878   4.296   -4.067  1.00 91.53 56 A 1 
ATOM   455 N N   . LYS   A 1 57 ? 10.737  7.057   -1.508  1.00 96.30 57 A 1 
ATOM   456 C CA  . LYS   A 1 57 ? 12.160  7.264   -1.256  1.00 96.23 57 A 1 
ATOM   457 C C   . LYS   A 1 57 ? 12.626  6.445   -0.060  1.00 95.92 57 A 1 
ATOM   458 O O   . LYS   A 1 57 ? 13.675  5.805   -0.107  1.00 95.58 57 A 1 
ATOM   459 C CB  . LYS   A 1 57 ? 12.458  8.746   -1.019  1.00 96.05 57 A 1 
ATOM   460 C CG  . LYS   A 1 57 ? 12.399  9.603   -2.273  1.00 88.30 57 A 1 
ATOM   461 C CD  . LYS   A 1 57 ? 12.737  11.054  -1.971  1.00 83.97 57 A 1 
ATOM   462 C CE  . LYS   A 1 57 ? 12.680  11.918  -3.222  1.00 72.74 57 A 1 
ATOM   463 N NZ  . LYS   A 1 57 ? 12.971  13.350  -2.928  1.00 65.55 57 A 1 
ATOM   464 N N   . ARG   A 1 58 ? 11.844  6.465   1.020   1.00 97.05 58 A 1 
ATOM   465 C CA  . ARG   A 1 58 ? 12.201  5.723   2.221   1.00 96.97 58 A 1 
ATOM   466 C C   . ARG   A 1 58 ? 12.252  4.223   1.942   1.00 96.84 58 A 1 
ATOM   467 O O   . ARG   A 1 58 ? 13.192  3.540   2.350   1.00 96.47 58 A 1 
ATOM   468 C CB  . ARG   A 1 58 ? 11.208  6.004   3.351   1.00 96.99 58 A 1 
ATOM   469 C CG  . ARG   A 1 58 ? 11.583  5.355   4.677   1.00 94.87 58 A 1 
ATOM   470 C CD  . ARG   A 1 58 ? 10.566  5.655   5.765   1.00 93.44 58 A 1 
ATOM   471 N NE  . ARG   A 1 58 ? 9.267   5.047   5.498   1.00 90.48 58 A 1 
ATOM   472 C CZ  . ARG   A 1 58 ? 8.975   3.774   5.733   1.00 90.66 58 A 1 
ATOM   473 N NH1 . ARG   A 1 58 ? 9.886   2.956   6.244   1.00 82.50 58 A 1 
ATOM   474 N NH2 . ARG   A 1 58 ? 7.769   3.310   5.453   1.00 85.42 58 A 1 
ATOM   475 N N   . LEU   A 1 59 ? 11.245  3.716   1.238   1.00 97.32 59 A 1 
ATOM   476 C CA  . LEU   A 1 59 ? 11.193  2.290   0.929   1.00 96.80 59 A 1 
ATOM   477 C C   . LEU   A 1 59 ? 12.323  1.869   -0.005  1.00 96.08 59 A 1 
ATOM   478 O O   . LEU   A 1 59 ? 12.843  0.760   0.104   1.00 95.25 59 A 1 
ATOM   479 C CB  . LEU   A 1 59 ? 9.838   1.927   0.316   1.00 96.97 59 A 1 
ATOM   480 C CG  . LEU   A 1 59 ? 8.625   2.057   1.246   1.00 96.47 59 A 1 
ATOM   481 C CD1 . LEU   A 1 59 ? 7.348   1.726   0.493   1.00 95.48 59 A 1 
ATOM   482 C CD2 . LEU   A 1 59 ? 8.780   1.154   2.459   1.00 95.11 59 A 1 
ATOM   483 N N   . SER   A 1 60 ? 12.704  2.751   -0.909  1.00 95.78 60 A 1 
ATOM   484 C CA  . SER   A 1 60 ? 13.779  2.456   -1.855  1.00 94.53 60 A 1 
ATOM   485 C C   . SER   A 1 60 ? 15.131  2.331   -1.161  1.00 94.23 60 A 1 
ATOM   486 O O   . SER   A 1 60 ? 16.060  1.727   -1.701  1.00 91.96 60 A 1 
ATOM   487 C CB  . SER   A 1 60 ? 13.851  3.537   -2.932  1.00 93.02 60 A 1 
ATOM   488 O OG  . SER   A 1 60 ? 12.685  3.537   -3.734  1.00 81.05 60 A 1 
ATOM   489 N N   . GLN   A 1 61 ? 15.242  2.910   0.037   1.00 94.94 61 A 1 
ATOM   490 C CA  . GLN   A 1 61 ? 16.483  2.860   0.800   1.00 94.73 61 A 1 
ATOM   491 C C   . GLN   A 1 61 ? 16.594  1.590   1.637   1.00 94.84 61 A 1 
ATOM   492 O O   . GLN   A 1 61 ? 17.644  1.319   2.225   1.00 92.48 61 A 1 
ATOM   493 C CB  . GLN   A 1 61 ? 16.597  4.088   1.706   1.00 93.69 61 A 1 
ATOM   494 C CG  . GLN   A 1 61 ? 16.758  5.401   0.954   1.00 89.38 61 A 1 
ATOM   495 C CD  . GLN   A 1 61 ? 16.693  6.615   1.864   1.00 82.75 61 A 1 
ATOM   496 O OE1 . GLN   A 1 61 ? 16.040  6.589   2.905   1.00 75.75 61 A 1 
ATOM   497 N NE2 . GLN   A 1 61 ? 17.371  7.689   1.471   1.00 72.22 61 A 1 
ATOM   498 N N   . ARG   A 1 62 ? 15.524  0.812   1.696   1.00 96.16 62 A 1 
ATOM   499 C CA  . ARG   A 1 62 ? 15.538  -0.428  2.463   1.00 95.66 62 A 1 
ATOM   500 C C   . ARG   A 1 62 ? 16.309  -1.518  1.725   1.00 95.13 62 A 1 
ATOM   501 O O   . ARG   A 1 62 ? 16.567  -1.417  0.526   1.00 92.86 62 A 1 
ATOM   502 C CB  . ARG   A 1 62 ? 14.111  -0.902  2.758   1.00 95.38 62 A 1 
ATOM   503 C CG  . ARG   A 1 62 ? 13.298  0.066   3.607   1.00 93.16 62 A 1 
ATOM   504 C CD  . ARG   A 1 62 ? 11.991  -0.569  4.047   1.00 92.37 62 A 1 
ATOM   505 N NE  . ARG   A 1 62 ? 12.218  -1.684  4.964   1.00 91.12 62 A 1 
ATOM   506 C CZ  . ARG   A 1 62 ? 11.305  -2.597  5.278   1.00 91.58 62 A 1 
ATOM   507 N NH1 . ARG   A 1 62 ? 10.097  -2.545  4.748   1.00 85.17 62 A 1 
ATOM   508 N NH2 . ARG   A 1 62 ? 11.608  -3.569  6.126   1.00 85.57 62 A 1 
ATOM   509 N N   . ASP   A 1 63 ? 16.669  -2.560  2.466   1.00 94.82 63 A 1 
ATOM   510 C CA  . ASP   A 1 63 ? 17.438  -3.666  1.908   1.00 94.44 63 A 1 
ATOM   511 C C   . ASP   A 1 63 ? 16.505  -4.773  1.426   1.00 94.72 63 A 1 
ATOM   512 O O   . ASP   A 1 63 ? 15.927  -5.502  2.229   1.00 92.54 63 A 1 
ATOM   513 C CB  . ASP   A 1 63 ? 18.416  -4.203  2.958   1.00 92.68 63 A 1 
ATOM   514 C CG  . ASP   A 1 63 ? 19.365  -5.246  2.395   1.00 85.20 63 A 1 
ATOM   515 O OD1 . ASP   A 1 63 ? 19.497  -5.335  1.162   1.00 79.79 63 A 1 
ATOM   516 O OD2 . ASP   A 1 63 ? 19.992  -5.966  3.201   1.00 77.53 63 A 1 
ATOM   517 N N   . PHE   A 1 64 ? 16.358  -4.872  0.107   1.00 95.64 64 A 1 
ATOM   518 C CA  . PHE   A 1 64 ? 15.532  -5.906  -0.505  1.00 95.85 64 A 1 
ATOM   519 C C   . PHE   A 1 64 ? 16.373  -6.779  -1.427  1.00 95.56 64 A 1 
ATOM   520 O O   . PHE   A 1 64 ? 17.398  -6.341  -1.949  1.00 93.53 64 A 1 
ATOM   521 C CB  . PHE   A 1 64 ? 14.393  -5.291  -1.325  1.00 95.45 64 A 1 
ATOM   522 C CG  . PHE   A 1 64 ? 13.413  -4.484  -0.525  1.00 96.00 64 A 1 
ATOM   523 C CD1 . PHE   A 1 64 ? 12.558  -5.101  0.375   1.00 94.66 64 A 1 
ATOM   524 C CD2 . PHE   A 1 64 ? 13.323  -3.114  -0.700  1.00 94.83 64 A 1 
ATOM   525 C CE1 . PHE   A 1 64 ? 11.635  -4.361  1.094   1.00 93.85 64 A 1 
ATOM   526 C CE2 . PHE   A 1 64 ? 12.401  -2.369  0.013   1.00 94.08 64 A 1 
ATOM   527 C CZ  . PHE   A 1 64 ? 11.553  -2.992  0.913   1.00 94.37 64 A 1 
ATOM   528 N N   . LYS   A 1 65 ? 15.923  -8.008  -1.619  1.00 95.77 65 A 1 
ATOM   529 C CA  . LYS   A 1 65 ? 16.596  -8.901  -2.556  1.00 95.12 65 A 1 
ATOM   530 C C   . LYS   A 1 65 ? 16.181  -8.602  -3.994  1.00 94.66 65 A 1 
ATOM   531 O O   . LYS   A 1 65 ? 17.000  -8.679  -4.913  1.00 92.35 65 A 1 
ATOM   532 C CB  . LYS   A 1 65 ? 16.280  -10.364 -2.235  1.00 94.22 65 A 1 
ATOM   533 C CG  . LYS   A 1 65 ? 16.961  -10.893 -0.980  1.00 88.48 65 A 1 
ATOM   534 C CD  . LYS   A 1 65 ? 16.746  -12.395 -0.820  1.00 85.22 65 A 1 
ATOM   535 C CE  . LYS   A 1 65 ? 17.420  -13.190 -1.923  1.00 79.43 65 A 1 
ATOM   536 N NZ  . LYS   A 1 65 ? 17.276  -14.660 -1.726  1.00 71.95 65 A 1 
ATOM   537 N N   . HIS   A 1 66 ? 14.909  -8.260  -4.189  1.00 95.99 66 A 1 
ATOM   538 C CA  . HIS   A 1 66 ? 14.364  -8.109  -5.537  1.00 95.83 66 A 1 
ATOM   539 C C   . HIS   A 1 66 ? 13.710  -6.761  -5.830  1.00 95.59 66 A 1 
ATOM   540 O O   . HIS   A 1 66 ? 13.786  -6.266  -6.957  1.00 93.72 66 A 1 
ATOM   541 C CB  . HIS   A 1 66 ? 13.351  -9.228  -5.803  1.00 95.45 66 A 1 
ATOM   542 C CG  . HIS   A 1 66 ? 13.917  -10.603 -5.604  1.00 95.83 66 A 1 
ATOM   543 N ND1 . HIS   A 1 66 ? 14.876  -11.142 -6.431  1.00 89.65 66 A 1 
ATOM   544 C CD2 . HIS   A 1 66 ? 13.661  -11.544 -4.669  1.00 90.20 66 A 1 
ATOM   545 C CE1 . HIS   A 1 66 ? 15.186  -12.355 -6.016  1.00 90.86 66 A 1 
ATOM   546 N NE2 . HIS   A 1 66 ? 14.462  -12.627 -4.942  1.00 91.72 66 A 1 
ATOM   547 N N   . LEU   A 1 67 ? 13.049  -6.173  -4.847  1.00 96.37 67 A 1 
ATOM   548 C CA  . LEU   A 1 67 ? 12.352  -4.912  -5.069  1.00 95.92 67 A 1 
ATOM   549 C C   . LEU   A 1 67 ? 13.313  -3.786  -5.442  1.00 95.51 67 A 1 
ATOM   550 O O   . LEU   A 1 67 ? 14.398  -3.668  -4.876  1.00 94.21 67 A 1 
ATOM   551 C CB  . LEU   A 1 67 ? 11.554  -4.505  -3.830  1.00 95.40 67 A 1 
ATOM   552 C CG  . LEU   A 1 67 ? 10.373  -5.400  -3.445  1.00 94.23 67 A 1 
ATOM   553 C CD1 . LEU   A 1 67 ? 9.775   -4.934  -2.127  1.00 92.78 67 A 1 
ATOM   554 C CD2 . LEU   A 1 67 ? 9.320   -5.392  -4.540  1.00 92.42 67 A 1 
ATOM   555 N N   . ASN   A 1 68 ? 12.897  -2.962  -6.401  1.00 94.79 68 A 1 
ATOM   556 C CA  . ASN   A 1 68 ? 13.652  -1.782  -6.793  1.00 94.21 68 A 1 
ATOM   557 C C   . ASN   A 1 68 ? 12.688  -0.616  -6.985  1.00 94.72 68 A 1 
ATOM   558 O O   . ASN   A 1 68 ? 11.486  -0.748  -6.747  1.00 94.34 68 A 1 
ATOM   559 C CB  . ASN   A 1 68 ? 14.467  -2.042  -8.068  1.00 92.52 68 A 1 
ATOM   560 C CG  . ASN   A 1 68 ? 13.608  -2.492  -9.237  1.00 93.09 68 A 1 
ATOM   561 O OD1 . ASN   A 1 68 ? 12.448  -2.119  -9.363  1.00 88.64 68 A 1 
ATOM   562 N ND2 . ASN   A 1 68 ? 14.192  -3.299  -10.116 1.00 87.75 68 A 1 
ATOM   563 N N   . GLY   A 1 69 ? 13.221  0.534   -7.401  1.00 93.41 69 A 1 
ATOM   564 C CA  . GLY   A 1 69 ? 12.404  1.727   -7.570  1.00 93.43 69 A 1 
ATOM   565 C C   . GLY   A 1 69 ? 11.237  1.555   -8.521  1.00 94.78 69 A 1 
ATOM   566 O O   . GLY   A 1 69 ? 10.126  2.004   -8.233  1.00 94.06 69 A 1 
ATOM   567 N N   . GLU   A 1 70 ? 11.487  0.913   -9.660  1.00 94.31 70 A 1 
ATOM   568 C CA  . GLU   A 1 70 ? 10.432  0.702   -10.652 1.00 95.05 70 A 1 
ATOM   569 C C   . GLU   A 1 70 ? 9.299   -0.158  -10.100 1.00 96.01 70 A 1 
ATOM   570 O O   . GLU   A 1 70 ? 8.119   0.167   -10.269 1.00 95.62 70 A 1 
ATOM   571 C CB  . GLU   A 1 70 ? 10.996  0.045   -11.915 1.00 94.34 70 A 1 
ATOM   572 C CG  . GLU   A 1 70 ? 11.588  1.018   -12.915 1.00 84.14 70 A 1 
ATOM   573 C CD  . GLU   A 1 70 ? 11.866  0.371   -14.259 1.00 78.68 70 A 1 
ATOM   574 O OE1 . GLU   A 1 70 ? 11.881  -0.875  -14.334 1.00 72.60 70 A 1 
ATOM   575 O OE2 . GLU   A 1 70 ? 12.060  1.112   -15.247 1.00 72.23 70 A 1 
ATOM   576 N N   . ILE   A 1 71 ? 9.660   -1.257  -9.437  1.00 97.16 71 A 1 
ATOM   577 C CA  . ILE   A 1 71 ? 8.659   -2.163  -8.890  1.00 97.38 71 A 1 
ATOM   578 C C   . ILE   A 1 71 ? 7.868   -1.486  -7.775  1.00 97.61 71 A 1 
ATOM   579 O O   . ILE   A 1 71 ? 6.639   -1.586  -7.719  1.00 97.45 71 A 1 
ATOM   580 C CB  . ILE   A 1 71 ? 9.309   -3.459  -8.373  1.00 97.19 71 A 1 
ATOM   581 C CG1 . ILE   A 1 71 ? 9.982   -4.198  -9.535  1.00 95.98 71 A 1 
ATOM   582 C CG2 . ILE   A 1 71 ? 8.275   -4.348  -7.700  1.00 96.07 71 A 1 
ATOM   583 C CD1 . ILE   A 1 71 ? 10.786  -5.408  -9.111  1.00 93.94 71 A 1 
ATOM   584 N N   . LEU   A 1 72 ? 8.568   -0.787  -6.886  1.00 97.44 72 A 1 
ATOM   585 C CA  . LEU   A 1 72 ? 7.910   -0.091  -5.786  1.00 97.42 72 A 1 
ATOM   586 C C   . LEU   A 1 72 ? 6.961   0.984   -6.304  1.00 97.55 72 A 1 
ATOM   587 O O   . LEU   A 1 72 ? 5.852   1.143   -5.792  1.00 97.36 72 A 1 
ATOM   588 C CB  . LEU   A 1 72 ? 8.950   0.535   -4.855  1.00 97.05 72 A 1 
ATOM   589 C CG  . LEU   A 1 72 ? 9.737   -0.446  -3.981  1.00 96.02 72 A 1 
ATOM   590 C CD1 . LEU   A 1 72 ? 10.921  0.256   -3.329  1.00 94.70 72 A 1 
ATOM   591 C CD2 . LEU   A 1 72 ? 8.828   -1.054  -2.921  1.00 94.35 72 A 1 
ATOM   592 N N   . THR   A 1 73 ? 7.395   1.732   -7.318  1.00 96.85 73 A 1 
ATOM   593 C CA  . THR   A 1 73 ? 6.564   2.784   -7.897  1.00 96.81 73 A 1 
ATOM   594 C C   . THR   A 1 73 ? 5.298   2.199   -8.519  1.00 97.06 73 A 1 
ATOM   595 O O   . THR   A 1 73 ? 4.202   2.726   -8.318  1.00 96.77 73 A 1 
ATOM   596 C CB  . THR   A 1 73 ? 7.341   3.579   -8.955  1.00 96.14 73 A 1 
ATOM   597 O OG1 . THR   A 1 73 ? 8.455   4.231   -8.340  1.00 92.43 73 A 1 
ATOM   598 C CG2 . THR   A 1 73 ? 6.450   4.629   -9.611  1.00 91.36 73 A 1 
ATOM   599 N N   . GLY   A 1 74 ? 5.454   1.119   -9.271  1.00 97.57 74 A 1 
ATOM   600 C CA  . GLY   A 1 74 ? 4.305   0.481   -9.904  1.00 97.69 74 A 1 
ATOM   601 C C   . GLY   A 1 74 ? 3.294   -0.025  -8.890  1.00 97.98 74 A 1 
ATOM   602 O O   . GLY   A 1 74 ? 2.086   0.166   -9.047  1.00 97.52 74 A 1 
ATOM   603 N N   . PHE   A 1 75 ? 3.792   -0.668  -7.838  1.00 97.75 75 A 1 
ATOM   604 C CA  . PHE   A 1 75 ? 2.922   -1.210  -6.796  1.00 97.95 75 A 1 
ATOM   605 C C   . PHE   A 1 75 ? 2.248   -0.096  -5.996  1.00 98.07 75 A 1 
ATOM   606 O O   . PHE   A 1 75 ? 1.029   -0.105  -5.800  1.00 97.78 75 A 1 
ATOM   607 C CB  . PHE   A 1 75 ? 3.725   -2.114  -5.860  1.00 97.80 75 A 1 
ATOM   608 C CG  . PHE   A 1 75 ? 2.909   -2.718  -4.748  1.00 97.54 75 A 1 
ATOM   609 C CD1 . PHE   A 1 75 ? 2.071   -3.793  -4.993  1.00 95.60 75 A 1 
ATOM   610 C CD2 . PHE   A 1 75 ? 2.985   -2.213  -3.463  1.00 95.65 75 A 1 
ATOM   611 C CE1 . PHE   A 1 75 ? 1.320   -4.354  -3.972  1.00 94.47 75 A 1 
ATOM   612 C CE2 . PHE   A 1 75 ? 2.233   -2.767  -2.434  1.00 94.77 75 A 1 
ATOM   613 C CZ  . PHE   A 1 75 ? 1.402   -3.840  -2.693  1.00 95.25 75 A 1 
ATOM   614 N N   . TYR   A 1 76 ? 3.037   0.871   -5.536  1.00 97.68 76 A 1 
ATOM   615 C CA  . TYR   A 1 76 ? 2.493   1.927   -4.692  1.00 97.58 76 A 1 
ATOM   616 C C   . TYR   A 1 76 ? 1.641   2.939   -5.452  1.00 97.36 76 A 1 
ATOM   617 O O   . TYR   A 1 76 ? 0.853   3.656   -4.835  1.00 96.89 76 A 1 
ATOM   618 C CB  . TYR   A 1 76 ? 3.602   2.627   -3.908  1.00 97.39 76 A 1 
ATOM   619 C CG  . TYR   A 1 76 ? 3.846   1.954   -2.574  1.00 97.48 76 A 1 
ATOM   620 C CD1 . TYR   A 1 76 ? 4.743   0.904   -2.458  1.00 96.45 76 A 1 
ATOM   621 C CD2 . TYR   A 1 76 ? 3.130   2.336   -1.449  1.00 96.26 76 A 1 
ATOM   622 C CE1 . TYR   A 1 76 ? 4.935   0.258   -1.249  1.00 95.49 76 A 1 
ATOM   623 C CE2 . TYR   A 1 76 ? 3.315   1.698   -0.235  1.00 95.37 76 A 1 
ATOM   624 C CZ  . TYR   A 1 76 ? 4.218   0.658   -0.140  1.00 96.17 76 A 1 
ATOM   625 O OH  . TYR   A 1 76 ? 4.404   0.022   1.062   1.00 95.01 76 A 1 
ATOM   626 N N   . THR   A 1 77 ? 1.782   2.992   -6.773  1.00 97.20 77 A 1 
ATOM   627 C CA  . THR   A 1 77 ? 0.893   3.840   -7.563  1.00 96.86 77 A 1 
ATOM   628 C C   . THR   A 1 77 ? -0.547  3.382   -7.342  1.00 97.10 77 A 1 
ATOM   629 O O   . THR   A 1 77 ? -1.451  4.202   -7.157  1.00 96.72 77 A 1 
ATOM   630 C CB  . THR   A 1 77 ? 1.242   3.774   -9.059  1.00 95.94 77 A 1 
ATOM   631 O OG1 . THR   A 1 77 ? 2.510   4.399   -9.276  1.00 90.47 77 A 1 
ATOM   632 C CG2 . THR   A 1 77 ? 0.189   4.491   -9.901  1.00 88.68 77 A 1 
ATOM   633 N N   . GLU   A 1 78 ? -0.750  2.071   -7.344  1.00 97.57 78 A 1 
ATOM   634 C CA  . GLU   A 1 78 ? -2.080  1.520   -7.105  1.00 97.83 78 A 1 
ATOM   635 C C   . GLU   A 1 78 ? -2.503  1.699   -5.647  1.00 97.88 78 A 1 
ATOM   636 O O   . GLU   A 1 78 ? -3.666  1.998   -5.360  1.00 97.39 78 A 1 
ATOM   637 C CB  . GLU   A 1 78 ? -2.131  0.040   -7.488  1.00 97.65 78 A 1 
ATOM   638 C CG  . GLU   A 1 78 ? -1.954  -0.213  -8.979  1.00 90.87 78 A 1 
ATOM   639 C CD  . GLU   A 1 78 ? -3.013  0.482   -9.815  1.00 90.35 78 A 1 
ATOM   640 O OE1 . GLU   A 1 78 ? -4.168  0.588   -9.360  1.00 85.29 78 A 1 
ATOM   641 O OE2 . GLU   A 1 78 ? -2.689  0.929   -10.938 1.00 85.07 78 A 1 
ATOM   642 N N   . VAL   A 1 79 ? -1.560  1.522   -4.728  1.00 97.69 79 A 1 
ATOM   643 C CA  . VAL   A 1 79 ? -1.855  1.706   -3.307  1.00 97.41 79 A 1 
ATOM   644 C C   . VAL   A 1 79 ? -2.310  3.141   -3.045  1.00 97.17 79 A 1 
ATOM   645 O O   . VAL   A 1 79 ? -3.300  3.374   -2.346  1.00 96.69 79 A 1 
ATOM   646 C CB  . VAL   A 1 79 ? -0.627  1.375   -2.431  1.00 97.20 79 A 1 
ATOM   647 C CG1 . VAL   A 1 79 ? -0.899  1.728   -0.974  1.00 96.43 79 A 1 
ATOM   648 C CG2 . VAL   A 1 79 ? -0.276  -0.102  -2.557  1.00 96.66 79 A 1 
ATOM   649 N N   . PHE   A 1 80 ? -1.595  4.120   -3.605  1.00 96.51 80 A 1 
ATOM   650 C CA  . PHE   A 1 80 ? -1.949  5.521   -3.416  1.00 96.20 80 A 1 
ATOM   651 C C   . PHE   A 1 80 ? -3.301  5.848   -4.048  1.00 95.98 80 A 1 
ATOM   652 O O   . PHE   A 1 80 ? -4.096  6.592   -3.469  1.00 95.73 80 A 1 
ATOM   653 C CB  . PHE   A 1 80 ? -0.871  6.438   -4.009  1.00 96.26 80 A 1 
ATOM   654 C CG  . PHE   A 1 80 ? 0.473   6.329   -3.331  1.00 96.55 80 A 1 
ATOM   655 C CD1 . PHE   A 1 80 ? 0.568   6.109   -1.966  1.00 95.45 80 A 1 
ATOM   656 C CD2 . PHE   A 1 80 ? 1.644   6.468   -4.065  1.00 95.69 80 A 1 
ATOM   657 C CE1 . PHE   A 1 80 ? 1.804   6.017   -1.341  1.00 95.26 80 A 1 
ATOM   658 C CE2 . PHE   A 1 80 ? 2.881   6.382   -3.448  1.00 95.11 80 A 1 
ATOM   659 C CZ  . PHE   A 1 80 ? 2.962   6.156   -2.085  1.00 95.64 80 A 1 
ATOM   660 N N   . LYS   A 1 81 ? -3.568  5.303   -5.233  1.00 96.54 81 A 1 
ATOM   661 C CA  . LYS   A 1 81 ? -4.840  5.543   -5.911  1.00 96.47 81 A 1 
ATOM   662 C C   . LYS   A 1 81 ? -6.014  5.057   -5.065  1.00 96.23 81 A 1 
ATOM   663 O O   . LYS   A 1 81 ? -7.010  5.767   -4.896  1.00 95.80 81 A 1 
ATOM   664 C CB  . LYS   A 1 81 ? -4.861  4.848   -7.276  1.00 96.20 81 A 1 
ATOM   665 C CG  . LYS   A 1 81 ? -4.066  5.574   -8.353  1.00 88.07 81 A 1 
ATOM   666 C CD  . LYS   A 1 81 ? -3.859  4.709   -9.589  1.00 86.42 81 A 1 
ATOM   667 C CE  . LYS   A 1 81 ? -5.173  4.289   -10.228 1.00 77.60 81 A 1 
ATOM   668 N NZ  . LYS   A 1 81 ? -4.950  3.467   -11.449 1.00 71.82 81 A 1 
ATOM   669 N N   . ILE   A 1 82 ? -5.886  3.843   -4.537  1.00 96.90 82 A 1 
ATOM   670 C CA  . ILE   A 1 82 ? -6.944  3.279   -3.705  1.00 96.68 82 A 1 
ATOM   671 C C   . ILE   A 1 82 ? -7.084  4.070   -2.407  1.00 96.03 82 A 1 
ATOM   672 O O   . ILE   A 1 82 ? -8.197  4.351   -1.955  1.00 95.14 82 A 1 
ATOM   673 C CB  . ILE   A 1 82 ? -6.672  1.791   -3.401  1.00 96.64 82 A 1 
ATOM   674 C CG1 . ILE   A 1 82 ? -6.685  0.985   -4.703  1.00 92.36 82 A 1 
ATOM   675 C CG2 . ILE   A 1 82 ? -7.712  1.241   -2.434  1.00 91.26 82 A 1 
ATOM   676 C CD1 . ILE   A 1 82 ? -6.184  -0.434  -4.550  1.00 88.81 82 A 1 
ATOM   677 N N   . SER   A 1 83 ? -5.960  4.445   -1.817  1.00 95.56 83 A 1 
ATOM   678 C CA  . SER   A 1 83 ? -5.965  5.214   -0.575  1.00 94.85 83 A 1 
ATOM   679 C C   . SER   A 1 83 ? -6.674  6.551   -0.769  1.00 94.13 83 A 1 
ATOM   680 O O   . SER   A 1 83 ? -7.505  6.948   0.055   1.00 93.28 83 A 1 
ATOM   681 C CB  . SER   A 1 83 ? -4.532  5.444   -0.084  1.00 94.74 83 A 1 
ATOM   682 O OG  . SER   A 1 83 ? -4.517  6.189   1.117   1.00 87.95 83 A 1 
ATOM   683 N N   . ARG   A 1 84 ? -6.360  7.250   -1.860  1.00 94.43 84 A 1 
ATOM   684 C CA  . ARG   A 1 84 ? -6.985  8.541   -2.138  1.00 93.68 84 A 1 
ATOM   685 C C   . ARG   A 1 84 ? -8.487  8.392   -2.372  1.00 93.11 84 A 1 
ATOM   686 O O   . ARG   A 1 84 ? -9.266  9.265   -1.993  1.00 92.43 84 A 1 
ATOM   687 C CB  . ARG   A 1 84 ? -6.317  9.216   -3.336  1.00 93.35 84 A 1 
ATOM   688 C CG  . ARG   A 1 84 ? -4.879  9.659   -3.072  1.00 91.60 84 A 1 
ATOM   689 C CD  . ARG   A 1 84 ? -4.372  10.611  -4.143  1.00 90.57 84 A 1 
ATOM   690 N NE  . ARG   A 1 84 ? -4.354  10.005  -5.469  1.00 88.31 84 A 1 
ATOM   691 C CZ  . ARG   A 1 84 ? -3.293  9.429   -6.023  1.00 88.68 84 A 1 
ATOM   692 N NH1 . ARG   A 1 84 ? -2.143  9.373   -5.369  1.00 82.90 84 A 1 
ATOM   693 N NH2 . ARG   A 1 84 ? -3.382  8.908   -7.240  1.00 83.85 84 A 1 
ATOM   694 N N   . LYS   A 1 85 ? -8.888  7.286   -2.985  1.00 94.20 85 A 1 
ATOM   695 C CA  . LYS   A 1 85 ? -10.310 7.028   -3.212  1.00 93.55 85 A 1 
ATOM   696 C C   . LYS   A 1 85 ? -11.050 6.900   -1.881  1.00 93.07 85 A 1 
ATOM   697 O O   . LYS   A 1 85 ? -12.124 7.475   -1.700  1.00 91.99 85 A 1 
ATOM   698 C CB  . LYS   A 1 85 ? -10.507 5.753   -4.034  1.00 93.19 85 A 1 
ATOM   699 C CG  . LYS   A 1 85 ? -11.967 5.440   -4.344  1.00 85.56 85 A 1 
ATOM   700 C CD  . LYS   A 1 85 ? -12.129 4.094   -5.037  1.00 80.11 85 A 1 
ATOM   701 C CE  . LYS   A 1 85 ? -11.870 2.932   -4.098  1.00 72.54 85 A 1 
ATOM   702 N NZ  . LYS   A 1 85 ? -12.120 1.611   -4.752  1.00 65.39 85 A 1 
ATOM   703 N N   . PHE   A 1 86 ? -10.467 6.132   -0.959  1.00 92.42 86 A 1 
ATOM   704 C CA  . PHE   A 1 86 ? -11.080 5.952   0.354   1.00 91.91 86 A 1 
ATOM   705 C C   . PHE   A 1 86 ? -11.146 7.269   1.123   1.00 91.22 86 A 1 
ATOM   706 O O   . PHE   A 1 86 ? -12.134 7.557   1.802   1.00 88.97 86 A 1 
ATOM   707 C CB  . PHE   A 1 86 ? -10.308 4.903   1.162   1.00 92.01 86 A 1 
ATOM   708 C CG  . PHE   A 1 86 ? -10.807 3.499   0.963   1.00 92.23 86 A 1 
ATOM   709 C CD1 . PHE   A 1 86 ? -11.514 2.854   1.963   1.00 89.40 86 A 1 
ATOM   710 C CD2 . PHE   A 1 86 ? -10.588 2.832   -0.231  1.00 89.63 86 A 1 
ATOM   711 C CE1 . PHE   A 1 86 ? -11.986 1.565   1.786   1.00 87.94 86 A 1 
ATOM   712 C CE2 . PHE   A 1 86 ? -11.062 1.545   -0.422  1.00 88.27 86 A 1 
ATOM   713 C CZ  . PHE   A 1 86 ? -11.759 0.908   0.591   1.00 89.34 86 A 1 
ATOM   714 N N   . GLN   A 1 87 ? -10.091 8.073   1.021   1.00 91.92 87 A 1 
ATOM   715 C CA  . GLN   A 1 87 ? -10.058 9.361   1.704   1.00 91.82 87 A 1 
ATOM   716 C C   . GLN   A 1 87 ? -11.101 10.313  1.128   1.00 90.79 87 A 1 
ATOM   717 O O   . GLN   A 1 87 ? -11.757 11.047  1.869   1.00 89.57 87 A 1 
ATOM   718 C CB  . GLN   A 1 87 ? -8.663  9.973   1.610   1.00 91.60 87 A 1 
ATOM   719 C CG  . GLN   A 1 87 ? -7.612  9.222   2.421   1.00 90.14 87 A 1 
ATOM   720 C CD  . GLN   A 1 87 ? -6.217  9.772   2.216   1.00 90.57 87 A 1 
ATOM   721 O OE1 . GLN   A 1 87 ? -5.801  10.019  1.088   1.00 85.57 87 A 1 
ATOM   722 N NE2 . GLN   A 1 87 ? -5.486  9.966   3.304   1.00 84.35 87 A 1 
ATOM   723 N N   . GLU   A 1 88 ? -11.266 10.294  -0.188  1.00 92.12 88 A 1 
ATOM   724 C CA  . GLU   A 1 88 ? -12.258 11.138  -0.847  1.00 90.75 88 A 1 
ATOM   725 C C   . GLU   A 1 88 ? -13.662 10.761  -0.390  1.00 90.00 88 A 1 
ATOM   726 O O   . GLU   A 1 88 ? -14.500 11.632  -0.134  1.00 88.40 88 A 1 
ATOM   727 C CB  . GLU   A 1 88 ? -12.154 11.011  -2.367  1.00 89.50 88 A 1 
ATOM   728 C CG  . GLU   A 1 88 ? -13.028 11.992  -3.130  1.00 84.16 88 A 1 
ATOM   729 C CD  . GLU   A 1 88 ? -12.566 13.430  -2.957  1.00 80.73 88 A 1 
ATOM   730 O OE1 . GLU   A 1 88 ? -11.343 13.671  -2.989  1.00 76.58 88 A 1 
ATOM   731 O OE2 . GLU   A 1 88 ? -13.426 14.319  -2.795  1.00 76.54 88 A 1 
ATOM   732 N N   . ASN   A 1 89 ? -13.918 9.461   -0.279  1.00 90.73 89 A 1 
ATOM   733 C CA  . ASN   A 1 89 ? -15.218 8.988   0.185   1.00 90.03 89 A 1 
ATOM   734 C C   . ASN   A 1 89 ? -15.477 9.405   1.631   1.00 89.22 89 A 1 
ATOM   735 O O   . ASN   A 1 89 ? -16.606 9.731   1.998   1.00 86.70 89 A 1 
ATOM   736 C CB  . ASN   A 1 89 ? -15.314 7.466   0.058   1.00 89.42 89 A 1 
ATOM   737 C CG  . ASN   A 1 89 ? -15.426 7.011   -1.383  1.00 86.73 89 A 1 
ATOM   738 O OD1 . ASN   A 1 89 ? -15.838 7.772   -2.262  1.00 80.29 89 A 1 
ATOM   739 N ND2 . ASN   A 1 89 ? -15.076 5.756   -1.636  1.00 80.48 89 A 1 
ATOM   740 N N   . ALA   A 1 90 ? -14.435 9.397   2.446   1.00 88.53 90 A 1 
ATOM   741 C CA  . ALA   A 1 90 ? -14.563 9.802   3.843   1.00 87.63 90 A 1 
ATOM   742 C C   . ALA   A 1 90 ? -14.916 11.282  3.951   1.00 87.29 90 A 1 
ATOM   743 O O   . ALA   A 1 90 ? -15.753 11.674  4.767   1.00 84.82 90 A 1 
ATOM   744 C CB  . ALA   A 1 90 ? -13.271 9.511   4.601   1.00 86.12 90 A 1 
ATOM   745 N N   . LEU   A 1 91 ? -14.282 12.113  3.123   1.00 87.49 91 A 1 
ATOM   746 C CA  . LEU   A 1 91 ? -14.549 13.549  3.150   1.00 86.84 91 A 1 
ATOM   747 C C   . LEU   A 1 91 ? -15.944 13.882  2.641   1.00 85.77 91 A 1 
ATOM   748 O O   . LEU   A 1 91 ? -16.605 14.772  3.174   1.00 82.24 91 A 1 
ATOM   749 C CB  . LEU   A 1 91 ? -13.503 14.311  2.335   1.00 84.83 91 A 1 
ATOM   750 C CG  . LEU   A 1 91 ? -12.075 14.311  2.891   1.00 82.09 91 A 1 
ATOM   751 C CD1 . LEU   A 1 91 ? -11.207 15.269  2.092   1.00 78.08 91 A 1 
ATOM   752 C CD2 . LEU   A 1 91 ? -12.068 14.687  4.363   1.00 77.26 91 A 1 
ATOM   753 N N   . LYS   A 1 92 ? -16.402 13.177  1.621   1.00 87.39 92 A 1 
ATOM   754 C CA  . LYS   A 1 92 ? -17.740 13.429  1.095   1.00 86.40 92 A 1 
ATOM   755 C C   . LYS   A 1 92 ? -18.794 13.024  2.120   1.00 85.69 92 A 1 
ATOM   756 O O   . LYS   A 1 92 ? -19.883 13.591  2.156   1.00 81.87 92 A 1 
ATOM   757 C CB  . LYS   A 1 92 ? -17.959 12.689  -0.231  1.00 84.53 92 A 1 
ATOM   758 C CG  . LYS   A 1 92 ? -18.546 11.296  -0.094  1.00 77.98 92 A 1 
ATOM   759 C CD  . LYS   A 1 92 ? -18.976 10.737  -1.438  1.00 74.69 92 A 1 
ATOM   760 C CE  . LYS   A 1 92 ? -19.731 9.431   -1.283  1.00 66.70 92 A 1 
ATOM   761 N NZ  . LYS   A 1 92 ? -20.244 8.930   -2.589  1.00 60.81 92 A 1 
ATOM   762 N N   . GLU   A 1 93 ? -18.462 12.045  2.951   1.00 85.44 93 A 1 
ATOM   763 C CA  . GLU   A 1 93 ? -19.365 11.611  4.010   1.00 84.23 93 A 1 
ATOM   764 C C   . GLU   A 1 93 ? -19.460 12.674  5.098   1.00 83.53 93 A 1 
ATOM   765 O O   . GLU   A 1 93 ? -20.509 12.842  5.724   1.00 79.80 93 A 1 
ATOM   766 C CB  . GLU   A 1 93 ? -18.893 10.281  4.607   1.00 82.10 93 A 1 
ATOM   767 C CG  . GLU   A 1 93 ? -19.894 9.602   5.531   1.00 75.22 93 A 1 
ATOM   768 C CD  . GLU   A 1 93 ? -21.112 9.076   4.795   1.00 70.84 93 A 1 
ATOM   769 O OE1 . GLU   A 1 93 ? -21.066 8.970   3.553   1.00 65.92 93 A 1 
ATOM   770 O OE2 . GLU   A 1 93 ? -22.120 8.759   5.462   1.00 65.88 93 A 1 
ATOM   771 N N   . LEU   A 1 94 ? -18.368 13.399  5.319   1.00 81.52 94 A 1 
ATOM   772 C CA  . LEU   A 1 94 ? -18.352 14.473  6.310   1.00 79.97 94 A 1 
ATOM   773 C C   . LEU   A 1 94 ? -19.197 15.661  5.867   1.00 79.31 94 A 1 
ATOM   774 O O   . LEU   A 1 94 ? -19.728 16.398  6.698   1.00 74.46 94 A 1 
ATOM   775 C CB  . LEU   A 1 94 ? -16.918 14.935  6.578   1.00 76.40 94 A 1 
ATOM   776 C CG  . LEU   A 1 94 ? -16.024 13.962  7.342   1.00 69.59 94 A 1 
ATOM   777 C CD1 . LEU   A 1 94 ? -14.609 14.513  7.425   1.00 66.46 94 A 1 
ATOM   778 C CD2 . LEU   A 1 94 ? -16.582 13.702  8.733   1.00 67.35 94 A 1 
ATOM   779 N N   . LYS   A 1 95 ? -19.326 15.851  4.557   1.00 78.44 95 A 1 
ATOM   780 C CA  . LYS   A 1 95 ? -20.163 16.924  4.015   1.00 76.86 95 A 1 
ATOM   781 C C   . LYS   A 1 95 ? -21.644 16.614  4.201   1.00 75.64 95 A 1 
ATOM   782 O O   . LYS   A 1 95 ? -22.505 17.362  3.735   1.00 70.95 95 A 1 
ATOM   783 C CB  . LYS   A 1 95 ? -19.853 17.151  2.535   1.00 72.93 95 A 1 
ATOM   784 C CG  . LYS   A 1 95 ? -18.451 17.666  2.279   1.00 68.45 95 A 1 
ATOM   785 C CD  . LYS   A 1 95 ? -18.219 17.909  0.801   1.00 62.84 95 A 1 
ATOM   786 C CE  . LYS   A 1 95 ? -16.820 18.432  0.535   1.00 60.00 95 A 1 
ATOM   787 N NZ  . LYS   A 1 95 ? -16.582 18.658  -0.913  1.00 55.16 95 A 1 
ATOM   788 N N   . LYS   A 1 96 ? -21.913 15.515  4.914   1.00 63.47 96 A 1 
ATOM   789 C CA  . LYS   A 1 96 ? -23.276 15.082  5.213   1.00 60.87 96 A 1 
ATOM   790 C C   . LYS   A 1 96 ? -24.043 14.758  3.923   1.00 55.89 96 A 1 
ATOM   791 O O   . LYS   A 1 96 ? -23.758 13.741  3.294   1.00 50.88 96 A 1 
ATOM   792 C CB  . LYS   A 1 96 ? -24.012 16.159  6.034   1.00 56.75 96 A 1 
ATOM   793 C CG  . LYS   A 1 96 ? -23.319 16.505  7.345   1.00 53.56 96 A 1 
ATOM   794 C CD  . LYS   A 1 96 ? -24.021 17.631  8.069   1.00 47.86 96 A 1 
ATOM   795 C CE  . LYS   A 1 96 ? -23.296 17.972  9.358   1.00 45.08 96 A 1 
ATOM   796 N NZ  . LYS   A 1 96 ? -23.925 19.109  10.074  1.00 41.33 96 A 1 
ATOM   797 O OXT . LYS   A 1 96 ? -24.933 15.473  3.536   1.00 51.24 96 A 1 
HETATM 798 C C1  . LIG_B B 2 .  ? -4.929  13.380  3.529   1.00 68.41 1  B 1 
HETATM 799 C C2  . LIG_B B 2 .  ? -3.600  12.906  3.773   1.00 76.03 1  B 1 
HETATM 800 C C3  . LIG_B B 2 .  ? -2.574  13.748  4.412   1.00 74.80 1  B 1 
HETATM 801 O O1  . LIG_B B 2 .  ? -1.582  13.247  4.929   1.00 67.01 1  B 1 
HETATM 802 O O2  . LIG_B B 2 .  ? -2.738  14.983  4.426   1.00 65.22 1  B 1 
HETATM 803 O O3  . LIG_B B 2 .  ? -3.322  11.562  3.481   1.00 77.67 1  B 1 
HETATM 804 C C4  . LIG_B B 2 .  ? -2.078  11.207  2.879   1.00 85.33 1  B 1 
HETATM 805 C C5  . LIG_B B 2 .  ? -1.882  9.755   3.086   1.00 83.22 1  B 1 
HETATM 806 C C6  . LIG_B B 2 .  ? -1.054  9.060   2.197   1.00 81.74 1  B 1 
HETATM 807 C C7  . LIG_B B 2 .  ? -0.641  9.633   0.988   1.00 77.34 1  B 1 
HETATM 808 C C8  . LIG_B B 2 .  ? -0.962  10.959  0.695   1.00 77.78 1  B 1 
HETATM 809 C C9  . LIG_B B 2 .  ? -2.090  11.574  1.420   1.00 81.29 1  B 1 
HETATM 810 O O4  . LIG_B B 2 .  ? -2.041  12.989  1.264   1.00 73.18 1  B 1 
HETATM 811 C C10 . LIG_B B 2 .  ? -0.649  7.658   2.528   1.00 81.75 1  B 1 
HETATM 812 O O5  . LIG_B B 2 .  ? -1.092  7.121   3.537   1.00 73.05 1  B 1 
HETATM 813 O O6  . LIG_B B 2 .  ? 0.158   7.042   1.764   1.00 73.89 1  B 1 
#
