# 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_atrop9short-ger-30dopc-10dope-10dopa-charge2-gtp
#
_entry.id atrop9short-ger-30dopc-10dope-10dopa-charge2-gtp
#
loop_
_atom_type.symbol
C 
N 
O 
P 
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" 
"C20 H34"           274.484 GER    . "GERAN-8-YL GERAN"          C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C                                                 ? NON-POLYMER         
"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"   
"C10 H16 N5 O14 P3" 523.180 GTP    . "GUANOSINE-5'-TRIPHOSPHATE" c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N ? NON-POLYMER         
"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_AA ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_AB ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_AC ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_AD ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_AE ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_AF ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_AG ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_BA ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\\CCCCCCCC      ? non-polymer         
?                   ?       LIG_BB ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\\CCCCCCCC      ? non-polymer         
?                   ?       LIG_BC ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\\CCCCCCCC      ? non-polymer         
?                   ?       LIG_BD ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\\CCCCCCCC      ? non-polymer         
?                   ?       LIG_BE ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\\CCCCCCCC      ? non-polymer         
?                   ?       LIG_BF ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\\CCCCCCCC      ? non-polymer         
?                   ?       LIG_BG ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\\CCCCCCCC      ? non-polymer         
?                   ?       LIG_BH ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\\CCCCCCCC      ? non-polymer         
?                   ?       LIG_BI ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\\CCCCCCCC      ? non-polymer         
?                   ?       LIG_BJ ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\\CCCCCCCC      ? non-polymer         
?                   ?       LIG_D  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_DA ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC           ? non-polymer         
?                   ?       LIG_DB ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC           ? non-polymer         
?                   ?       LIG_DC ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC           ? non-polymer         
?                   ?       LIG_DD ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC           ? non-polymer         
?                   ?       LIG_DE ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC           ? non-polymer         
?                   ?       LIG_DF ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC           ? non-polymer         
?                   ?       LIG_DG ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC           ? non-polymer         
?                   ?       LIG_DH ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC           ? non-polymer         
?                   ?       LIG_DI ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC           ? non-polymer         
?                   ?       LIG_DJ ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC           ? non-polymer         
?                   ?       LIG_E  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_F  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_G  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_H  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_I  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_J  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_K  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_L  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_M  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_N  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_O  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_P  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_Q  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_R  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_S  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_T  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_U  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_V  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_W  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_X  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_Y  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_Z  ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? 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" 
"C11 H12 N2 O2"     204.225 TRP    y TRYPTOPHAN                  c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N                                                      ? "L-PEPTIDE LINKING" 
"C9 H11 N O3"       181.189 TYR    y TYROSINE                    c1cc(ccc1C[C@@H](C(=O)O)N)O                                                               ? "L-PEPTIDE LINKING" 
"C5 H11 N O2"       117.146 VAL    y VALINE                      CC(C)[C@@H](C(=O)O)N                                                                      ? "L-PEPTIDE LINKING" 
#
_citation.book_publisher          ?
_citation.country                 UK
_citation.id                      primary
_citation.journal_full            Nature
_citation.journal_id_ASTM         NATUAS
_citation.journal_id_CSD          0006
_citation.journal_id_ISSN         0028-0836
_citation.journal_volume          630
_citation.page_first              493
_citation.page_last               500
_citation.pdbx_database_id_DOI    10.1038/s41586-024-07487-w
_citation.pdbx_database_id_PubMed 38718835
_citation.title                   "Accurate structure prediction of biomolecular interactions with AlphaFold 3"
_citation.year                    2024
#
loop_
_citation_author.citation_id
_citation_author.name
_citation_author.ordinal
primary "Google DeepMind" 1 
primary "Isomorphic Labs" 2 
#
loop_
_entity.id
_entity.pdbx_description
_entity.type
1  . polymer     
2  . non-polymer 
3  . non-polymer 
4  . non-polymer 
5  . non-polymer 
6  . non-polymer 
7  . non-polymer 
8  . non-polymer 
9  . non-polymer 
10 . non-polymer 
11 . non-polymer 
12 . non-polymer 
13 . non-polymer 
14 . non-polymer 
15 . non-polymer 
16 . non-polymer 
17 . non-polymer 
18 . non-polymer 
19 . non-polymer 
20 . non-polymer 
21 . non-polymer 
22 . non-polymer 
23 . non-polymer 
24 . non-polymer 
25 . non-polymer 
26 . non-polymer 
27 . non-polymer 
28 . non-polymer 
29 . non-polymer 
30 . non-polymer 
31 . non-polymer 
32 . non-polymer 
33 . non-polymer 
34 . non-polymer 
35 . non-polymer 
36 . non-polymer 
37 . non-polymer 
38 . non-polymer 
39 . non-polymer 
40 . non-polymer 
41 . non-polymer 
42 . non-polymer 
43 . non-polymer 
44 . non-polymer 
45 . non-polymer 
46 . non-polymer 
47 . non-polymer 
48 . non-polymer 
49 . non-polymer 
50 . non-polymer 
51 . non-polymer 
52 . non-polymer 
53 . 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 SER 2   
1 n ALA 3   
1 n SER 4   
1 n LYS 5   
1 n PHE 6   
1 n ILE 7   
1 n LYS 8   
1 n CYS 9   
1 n VAL 10  
1 n THR 11  
1 n VAL 12  
1 n GLY 13  
1 n ASP 14  
1 n GLY 15  
1 n ALA 16  
1 n VAL 17  
1 n GLY 18  
1 n LYS 19  
1 n THR 20  
1 n CYS 21  
1 n MET 22  
1 n LEU 23  
1 n ILE 24  
1 n CYS 25  
1 n TYR 26  
1 n THR 27  
1 n SER 28  
1 n ASN 29  
1 n LYS 30  
1 n PHE 31  
1 n PRO 32  
1 n THR 33  
1 n ASP 34  
1 n TYR 35  
1 n ILE 36  
1 n PRO 37  
1 n THR 38  
1 n VAL 39  
1 n PHE 40  
1 n ASP 41  
1 n ASN 42  
1 n PHE 43  
1 n SER 44  
1 n ALA 45  
1 n ASN 46  
1 n VAL 47  
1 n ALA 48  
1 n VAL 49  
1 n ASP 50  
1 n GLY 51  
1 n GLN 52  
1 n ILE 53  
1 n VAL 54  
1 n ASN 55  
1 n LEU 56  
1 n GLY 57  
1 n LEU 58  
1 n TRP 59  
1 n ASP 60  
1 n THR 61  
1 n ALA 62  
1 n GLY 63  
1 n GLN 64  
1 n GLU 65  
1 n ASP 66  
1 n TYR 67  
1 n SER 68  
1 n ARG 69  
1 n LEU 70  
1 n ARG 71  
1 n PRO 72  
1 n LEU 73  
1 n SER 74  
1 n TYR 75  
1 n ARG 76  
1 n GLY 77  
1 n ALA 78  
1 n ASP 79  
1 n ILE 80  
1 n PHE 81  
1 n VAL 82  
1 n LEU 83  
1 n ALA 84  
1 n PHE 85  
1 n SER 86  
1 n LEU 87  
1 n ILE 88  
1 n SER 89  
1 n LYS 90  
1 n ALA 91  
1 n SER 92  
1 n TYR 93  
1 n GLU 94  
1 n ASN 95  
1 n VAL 96  
1 n LEU 97  
1 n LYS 98  
1 n LYS 99  
1 n TRP 100 
1 n MET 101 
1 n PRO 102 
1 n GLU 103 
1 n LEU 104 
1 n ARG 105 
1 n ARG 106 
1 n PHE 107 
1 n ALA 108 
1 n PRO 109 
1 n ASN 110 
1 n VAL 111 
1 n PRO 112 
1 n ILE 113 
1 n VAL 114 
1 n LEU 115 
1 n VAL 116 
1 n GLY 117 
1 n THR 118 
1 n LYS 119 
1 n LEU 120 
1 n ASP 121 
1 n LEU 122 
1 n ARG 123 
1 n ASP 124 
1 n ASP 125 
1 n LYS 126 
1 n GLY 127 
1 n TYR 128 
1 n LEU 129 
1 n ALA 130 
1 n ASP 131 
1 n HIS 132 
1 n THR 133 
1 n ASN 134 
1 n VAL 135 
1 n ILE 136 
1 n THR 137 
1 n SER 138 
1 n THR 139 
1 n GLN 140 
1 n GLY 141 
1 n GLU 142 
1 n GLU 143 
1 n LEU 144 
1 n ARG 145 
1 n LYS 146 
1 n GLN 147 
1 n ILE 148 
1 n GLY 149 
1 n ALA 150 
1 n ALA 151 
1 n ALA 152 
1 n TYR 153 
1 n ILE 154 
1 n GLU 155 
1 n CYS 156 
1 n SER 157 
1 n SER 158 
1 n LYS 159 
1 n THR 160 
1 n GLN 161 
1 n GLN 162 
1 n ASN 163 
1 n VAL 164 
1 n LYS 165 
1 n ALA 166 
1 n VAL 167 
1 n PHE 168 
1 n ASP 169 
1 n THR 170 
1 n ALA 171 
1 n ILE 172 
1 n LYS 173 
1 n VAL 174 
1 n VAL 175 
1 n LEU 176 
1 n GLN 177 
1 n PRO 178 
1 n PRO 179 
1 n ARG 180 
1 n ARG 181 
1 n LYS 182 
1 n GLU 183 
1 n VAL 184 
1 n PRO 185 
1 n ARG 186 
1 n ARG 187 
1 n ARG 188 
1 n LYS 189 
1 n ASN 190 
1 n HIS 191 
1 n ARG 192 
1 n ARG 193 
1 n SER 194 
1 n GLY 195 
1 n CYS 196 
#
_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 @ 2025-09-22 16:09:41)"
_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 30.16
_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 43.16 1 1   
A  SER    2   2 47.68 1 2   
A  ALA    3   2 50.58 1 3   
A  SER    4   2 58.50 1 4   
A  LYS    5   2 68.22 1 5   
A  PHE    6   2 79.30 1 6   
A  ILE    7   2 83.83 1 7   
A  LYS    8   2 87.19 1 8   
A  CYS    9   2 88.20 1 9   
A  VAL    10  2 86.95 1 10  
A  THR    11  2 84.65 1 11  
A  VAL    12  2 86.24 1 12  
A  GLY    13  2 88.59 1 13  
A  ASP    14  2 86.28 1 14  
A  GLY    15  2 86.86 1 15  
A  ALA    16  2 85.48 1 16  
A  VAL    17  2 85.76 1 17  
A  GLY    18  2 87.92 1 18  
A  LYS    19  2 85.28 1 19  
A  THR    20  2 83.31 1 20  
A  CYS    21  2 86.75 1 21  
A  MET    22  2 85.59 1 22  
A  LEU    23  2 85.00 1 23  
A  ILE    24  2 82.32 1 24  
A  CYS    25  2 85.44 1 25  
A  TYR    26  2 85.09 1 26  
A  THR    27  2 80.43 1 27  
A  SER    28  2 79.75 1 28  
A  ASN    29  2 75.92 1 29  
A  LYS    30  2 71.04 1 30  
A  PHE    31  2 75.52 1 31  
A  PRO    32  2 77.77 1 32  
A  THR    33  2 72.60 1 33  
A  ASP    34  2 69.79 1 34  
A  TYR    35  2 64.82 1 35  
A  ILE    36  2 65.94 1 36  
A  PRO    37  2 68.83 1 37  
A  THR    38  2 70.07 1 38  
A  VAL    39  2 65.86 1 39  
A  PHE    40  2 63.99 1 40  
A  ASP    41  2 69.26 1 41  
A  ASN    42  2 72.38 1 42  
A  PHE    43  2 70.36 1 43  
A  SER    44  2 76.91 1 44  
A  ALA    45  2 81.36 1 45  
A  ASN    46  2 79.05 1 46  
A  VAL    47  2 81.13 1 47  
A  ALA    48  2 82.44 1 48  
A  VAL    49  2 77.34 1 49  
A  ASP    50  2 73.72 1 50  
A  GLY    51  2 80.40 1 51  
A  GLN    52  2 74.42 1 52  
A  ILE    53  2 77.83 1 53  
A  VAL    54  2 82.23 1 54  
A  ASN    55  2 81.95 1 55  
A  LEU    56  2 85.49 1 56  
A  GLY    57  2 90.22 1 57  
A  LEU    58  2 85.51 1 58  
A  TRP    59  2 81.34 1 59  
A  ASP    60  2 82.83 1 60  
A  THR    61  2 81.89 1 61  
A  ALA    62  2 82.79 1 62  
A  GLY    63  2 83.13 1 63  
A  GLN    64  2 76.56 1 64  
A  GLU    65  2 73.52 1 65  
A  ASP    66  2 77.31 1 66  
A  TYR    67  2 74.84 1 67  
A  SER    68  2 83.35 1 68  
A  ARG    69  2 74.27 1 69  
A  LEU    70  2 80.51 1 70  
A  ARG    71  2 79.71 1 71  
A  PRO    72  2 86.37 1 72  
A  LEU    73  2 83.38 1 73  
A  SER    74  2 84.30 1 74  
A  TYR    75  2 83.56 1 75  
A  ARG    76  2 74.30 1 76  
A  GLY    77  2 88.17 1 77  
A  ALA    78  2 88.23 1 78  
A  ASP    79  2 86.38 1 79  
A  ILE    80  2 87.32 1 80  
A  PHE    81  2 87.96 1 81  
A  VAL    82  2 88.37 1 82  
A  LEU    83  2 88.01 1 83  
A  ALA    84  2 91.06 1 84  
A  PHE    85  2 88.47 1 85  
A  SER    86  2 89.12 1 86  
A  LEU    87  2 88.55 1 87  
A  ILE    88  2 83.12 1 88  
A  SER    89  2 87.75 1 89  
A  LYS    90  2 80.74 1 90  
A  ALA    91  2 90.03 1 91  
A  SER    92  2 88.54 1 92  
A  TYR    93  2 88.65 1 93  
A  GLU    94  2 85.71 1 94  
A  ASN    95  2 86.78 1 95  
A  VAL    96  2 87.95 1 96  
A  LEU    97  2 85.56 1 97  
A  LYS    98  2 81.77 1 98  
A  LYS    99  2 83.34 1 99  
A  TRP    100 2 87.31 1 100 
A  MET    101 2 87.18 1 101 
A  PRO    102 2 89.65 1 102 
A  GLU    103 2 85.15 1 103 
A  LEU    104 2 86.40 1 104 
A  ARG    105 2 75.88 1 105 
A  ARG    106 2 78.08 1 106 
A  PHE    107 2 82.73 1 107 
A  ALA    108 2 87.70 1 108 
A  PRO    109 2 85.19 1 109 
A  ASN    110 2 80.55 1 110 
A  VAL    111 2 86.78 1 111 
A  PRO    112 2 89.14 1 112 
A  ILE    113 2 87.12 1 113 
A  VAL    114 2 88.58 1 114 
A  LEU    115 2 89.09 1 115 
A  VAL    116 2 88.14 1 116 
A  GLY    117 2 91.60 1 117 
A  THR    118 2 87.09 1 118 
A  LYS    119 2 86.38 1 119 
A  LEU    120 2 87.17 1 120 
A  ASP    121 2 84.18 1 121 
A  LEU    122 2 83.18 1 122 
A  ARG    123 2 81.78 1 123 
A  ASP    124 2 77.12 1 124 
A  ASP    125 2 75.41 1 125 
A  LYS    126 2 67.11 1 126 
A  GLY    127 2 75.04 1 127 
A  TYR    128 2 66.94 1 128 
A  LEU    129 2 68.30 1 129 
A  ALA    130 2 72.13 1 130 
A  ASP    131 2 64.05 1 131 
A  HIS    132 2 58.19 1 132 
A  THR    133 2 67.79 1 133 
A  ASN    134 2 72.62 1 134 
A  VAL    135 2 81.98 1 135 
A  ILE    136 2 85.13 1 136 
A  THR    137 2 84.93 1 137 
A  SER    138 2 88.09 1 138 
A  THR    139 2 87.40 1 139 
A  GLN    140 2 86.11 1 140 
A  GLY    141 2 91.03 1 141 
A  GLU    142 2 85.31 1 142 
A  GLU    143 2 82.23 1 143 
A  LEU    144 2 88.53 1 144 
A  ARG    145 2 85.76 1 145 
A  LYS    146 2 83.71 1 146 
A  GLN    147 2 83.90 1 147 
A  ILE    148 2 85.88 1 148 
A  GLY    149 2 89.07 1 149 
A  ALA    150 2 89.81 1 150 
A  ALA    151 2 90.40 1 151 
A  ALA    152 2 91.27 1 152 
A  TYR    153 2 88.72 1 153 
A  ILE    154 2 86.56 1 154 
A  GLU    155 2 88.92 1 155 
A  CYS    156 2 89.65 1 156 
A  SER    157 2 89.09 1 157 
A  SER    158 2 87.46 1 158 
A  LYS    159 2 82.67 1 159 
A  THR    160 2 84.24 1 160 
A  GLN    161 2 80.66 1 161 
A  GLN    162 2 82.30 1 162 
A  ASN    163 2 85.64 1 163 
A  VAL    164 2 86.41 1 164 
A  LYS    165 2 80.44 1 165 
A  ALA    166 2 90.46 1 166 
A  VAL    167 2 87.32 1 167 
A  PHE    168 2 85.36 1 168 
A  ASP    169 2 85.23 1 169 
A  THR    170 2 86.41 1 170 
A  ALA    171 2 89.99 1 171 
A  ILE    172 2 85.63 1 172 
A  LYS    173 2 81.36 1 173 
A  VAL    174 2 86.01 1 174 
A  VAL    175 2 84.58 1 175 
A  LEU    176 2 80.48 1 176 
A  GLN    177 2 68.44 1 177 
A  PRO    178 2 61.47 1 178 
A  PRO    179 2 54.38 1 179 
A  ARG    180 2 50.26 1 180 
A  ARG    181 2 48.28 1 181 
A  LYS    182 2 50.17 1 182 
A  GLU    183 2 48.59 1 183 
A  VAL    184 2 49.29 1 184 
A  PRO    185 2 50.91 1 185 
A  ARG    186 2 45.94 1 186 
A  ARG    187 2 45.34 1 187 
A  ARG    188 2 44.15 1 188 
A  LYS    189 2 46.41 1 189 
A  ASN    190 2 52.70 1 190 
A  HIS    191 2 51.81 1 191 
A  ARG    192 2 46.36 1 192 
A  ARG    193 2 46.48 1 193 
A  SER    194 2 57.10 1 194 
A  GLY    195 2 62.62 1 195 
A  CYS    196 2 64.83 1 196 
B  GTP    .   2 72.34 1 197 
C  GER    .   2 5.91  1 198 
D  LIG_D  .   2 2.95  1 199 
E  LIG_E  .   2 1.49  1 200 
F  LIG_F  .   2 1.50  1 201 
G  LIG_G  .   2 1.50  1 202 
H  LIG_H  .   2 1.47  1 203 
I  LIG_I  .   2 2.03  1 204 
J  LIG_J  .   2 1.52  1 205 
K  LIG_K  .   2 1.49  1 206 
L  LIG_L  .   2 1.69  1 207 
M  LIG_M  .   2 1.60  1 208 
N  LIG_N  .   2 1.52  1 209 
O  LIG_O  .   2 1.50  1 210 
P  LIG_P  .   2 1.48  1 211 
Q  LIG_Q  .   2 1.50  1 212 
R  LIG_R  .   2 1.52  1 213 
S  LIG_S  .   2 1.83  1 214 
T  LIG_T  .   2 1.46  1 215 
U  LIG_U  .   2 1.70  1 216 
V  LIG_V  .   2 1.50  1 217 
W  LIG_W  .   2 4.37  1 218 
X  LIG_X  .   2 3.51  1 219 
Y  LIG_Y  .   2 1.59  1 220 
Z  LIG_Z  .   2 1.93  1 221 
AA LIG_AA .   2 2.20  1 222 
BA LIG_BA .   2 1.49  1 223 
DA LIG_DA .   2 1.33  1 224 
AB LIG_AB .   2 1.75  1 225 
BB LIG_BB .   2 1.57  1 226 
DB LIG_DB .   2 1.34  1 227 
AC LIG_AC .   2 1.47  1 228 
BC LIG_BC .   2 1.52  1 229 
DC LIG_DC .   2 1.30  1 230 
AD LIG_AD .   2 1.51  1 231 
BD LIG_BD .   2 1.49  1 232 
DD LIG_DD .   2 1.35  1 233 
AE LIG_AE .   2 1.53  1 234 
BE LIG_BE .   2 1.57  1 235 
DE LIG_DE .   2 1.35  1 236 
AF LIG_AF .   2 1.51  1 237 
BF LIG_BF .   2 1.42  1 238 
DF LIG_DF .   2 1.37  1 239 
AG LIG_AG .   2 1.74  1 240 
BG LIG_BG .   2 2.55  1 241 
DG LIG_DG .   2 1.35  1 242 
BH LIG_BH .   2 1.88  1 243 
DH LIG_DH .   2 2.11  1 244 
BI LIG_BI .   2 1.73  1 245 
DI LIG_DI .   2 1.41  1 246 
BJ LIG_BJ .   2 1.84  1 247 
DJ LIG_DJ .   2 2.05  1 248 
#
_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  . 
1 3  . 
1 4  . 
1 5  . 
1 6  . 
1 7  . 
1 8  . 
1 9  . 
1 10 . 
1 11 . 
1 12 . 
1 13 . 
1 14 . 
1 15 . 
1 16 . 
1 17 . 
1 18 . 
1 19 . 
1 20 . 
1 21 . 
1 22 . 
1 23 . 
1 24 . 
1 25 . 
1 26 . 
1 27 . 
1 28 . 
1 29 . 
1 30 . 
1 31 . 
1 32 . 
1 33 . 
1 34 . 
1 35 . 
1 36 . 
1 37 . 
1 38 . 
1 39 . 
1 40 . 
1 41 . 
1 42 . 
1 43 . 
1 44 . 
1 45 . 
1 46 . 
1 47 . 
1 48 . 
1 49 . 
1 50 . 
1 51 . 
1 52 . 
1 53 . 
#
loop_
_ma_target_entity_instance.asym_id
_ma_target_entity_instance.details
_ma_target_entity_instance.entity_id
A  . 1  
B  . 2  
C  . 3  
D  . 4  
E  . 5  
F  . 6  
G  . 7  
H  . 8  
I  . 9  
J  . 10 
K  . 11 
L  . 12 
M  . 13 
N  . 14 
O  . 15 
P  . 16 
Q  . 17 
R  . 18 
S  . 19 
T  . 20 
U  . 21 
V  . 22 
W  . 23 
X  . 24 
Y  . 25 
Z  . 26 
AA . 27 
BA . 28 
DA . 29 
AB . 30 
BB . 31 
DB . 32 
AC . 33 
BC . 34 
DC . 35 
AD . 36 
BD . 37 
DD . 38 
AE . 39 
BE . 40 
DE . 41 
AF . 42 
BF . 43 
DF . 44 
AG . 45 
BG . 46 
DG . 47 
BH . 48 
DH . 49 
BI . 50 
DI . 51 
BJ . 52 
DJ . 53 
#
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_nonpoly_scheme.asym_id
_pdbx_nonpoly_scheme.auth_seq_num
_pdbx_nonpoly_scheme.entity_id
_pdbx_nonpoly_scheme.mon_id
_pdbx_nonpoly_scheme.pdb_ins_code
_pdbx_nonpoly_scheme.pdb_seq_num
_pdbx_nonpoly_scheme.pdb_strand_id
B  1 2  GTP    . 1 B  
C  1 3  GER    . 1 C  
D  1 4  LIG_D  . 1 D  
E  1 5  LIG_E  . 1 E  
F  1 6  LIG_F  . 1 F  
G  1 7  LIG_G  . 1 G  
H  1 8  LIG_H  . 1 H  
I  1 9  LIG_I  . 1 I  
J  1 10 LIG_J  . 1 J  
K  1 11 LIG_K  . 1 K  
L  1 12 LIG_L  . 1 L  
M  1 13 LIG_M  . 1 M  
N  1 14 LIG_N  . 1 N  
O  1 15 LIG_O  . 1 O  
P  1 16 LIG_P  . 1 P  
Q  1 17 LIG_Q  . 1 Q  
R  1 18 LIG_R  . 1 R  
S  1 19 LIG_S  . 1 S  
T  1 20 LIG_T  . 1 T  
U  1 21 LIG_U  . 1 U  
V  1 22 LIG_V  . 1 V  
W  1 23 LIG_W  . 1 W  
X  1 24 LIG_X  . 1 X  
Y  1 25 LIG_Y  . 1 Y  
Z  1 26 LIG_Z  . 1 Z  
AA 1 27 LIG_AA . 1 AA 
BA 1 28 LIG_BA . 1 BA 
DA 1 29 LIG_DA . 1 DA 
AB 1 30 LIG_AB . 1 AB 
BB 1 31 LIG_BB . 1 BB 
DB 1 32 LIG_DB . 1 DB 
AC 1 33 LIG_AC . 1 AC 
BC 1 34 LIG_BC . 1 BC 
DC 1 35 LIG_DC . 1 DC 
AD 1 36 LIG_AD . 1 AD 
BD 1 37 LIG_BD . 1 BD 
DD 1 38 LIG_DD . 1 DD 
AE 1 39 LIG_AE . 1 AE 
BE 1 40 LIG_BE . 1 BE 
DE 1 41 LIG_DE . 1 DE 
AF 1 42 LIG_AF . 1 AF 
BF 1 43 LIG_BF . 1 BF 
DF 1 44 LIG_DF . 1 DF 
AG 1 45 LIG_AG . 1 AG 
BG 1 46 LIG_BG . 1 BG 
DG 1 47 LIG_DG . 1 DG 
BH 1 48 LIG_BH . 1 BH 
DH 1 49 LIG_DH . 1 DH 
BI 1 50 LIG_BI . 1 BI 
DI 1 51 LIG_DI . 1 DI 
BJ 1 52 LIG_BJ . 1 BJ 
DJ 1 53 LIG_DJ . 1 DJ 
#
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 SER . 2   A 2   
A 3   1 n ALA . 3   A 3   
A 4   1 n SER . 4   A 4   
A 5   1 n LYS . 5   A 5   
A 6   1 n PHE . 6   A 6   
A 7   1 n ILE . 7   A 7   
A 8   1 n LYS . 8   A 8   
A 9   1 n CYS . 9   A 9   
A 10  1 n VAL . 10  A 10  
A 11  1 n THR . 11  A 11  
A 12  1 n VAL . 12  A 12  
A 13  1 n GLY . 13  A 13  
A 14  1 n ASP . 14  A 14  
A 15  1 n GLY . 15  A 15  
A 16  1 n ALA . 16  A 16  
A 17  1 n VAL . 17  A 17  
A 18  1 n GLY . 18  A 18  
A 19  1 n LYS . 19  A 19  
A 20  1 n THR . 20  A 20  
A 21  1 n CYS . 21  A 21  
A 22  1 n MET . 22  A 22  
A 23  1 n LEU . 23  A 23  
A 24  1 n ILE . 24  A 24  
A 25  1 n CYS . 25  A 25  
A 26  1 n TYR . 26  A 26  
A 27  1 n THR . 27  A 27  
A 28  1 n SER . 28  A 28  
A 29  1 n ASN . 29  A 29  
A 30  1 n LYS . 30  A 30  
A 31  1 n PHE . 31  A 31  
A 32  1 n PRO . 32  A 32  
A 33  1 n THR . 33  A 33  
A 34  1 n ASP . 34  A 34  
A 35  1 n TYR . 35  A 35  
A 36  1 n ILE . 36  A 36  
A 37  1 n PRO . 37  A 37  
A 38  1 n THR . 38  A 38  
A 39  1 n VAL . 39  A 39  
A 40  1 n PHE . 40  A 40  
A 41  1 n ASP . 41  A 41  
A 42  1 n ASN . 42  A 42  
A 43  1 n PHE . 43  A 43  
A 44  1 n SER . 44  A 44  
A 45  1 n ALA . 45  A 45  
A 46  1 n ASN . 46  A 46  
A 47  1 n VAL . 47  A 47  
A 48  1 n ALA . 48  A 48  
A 49  1 n VAL . 49  A 49  
A 50  1 n ASP . 50  A 50  
A 51  1 n GLY . 51  A 51  
A 52  1 n GLN . 52  A 52  
A 53  1 n ILE . 53  A 53  
A 54  1 n VAL . 54  A 54  
A 55  1 n ASN . 55  A 55  
A 56  1 n LEU . 56  A 56  
A 57  1 n GLY . 57  A 57  
A 58  1 n LEU . 58  A 58  
A 59  1 n TRP . 59  A 59  
A 60  1 n ASP . 60  A 60  
A 61  1 n THR . 61  A 61  
A 62  1 n ALA . 62  A 62  
A 63  1 n GLY . 63  A 63  
A 64  1 n GLN . 64  A 64  
A 65  1 n GLU . 65  A 65  
A 66  1 n ASP . 66  A 66  
A 67  1 n TYR . 67  A 67  
A 68  1 n SER . 68  A 68  
A 69  1 n ARG . 69  A 69  
A 70  1 n LEU . 70  A 70  
A 71  1 n ARG . 71  A 71  
A 72  1 n PRO . 72  A 72  
A 73  1 n LEU . 73  A 73  
A 74  1 n SER . 74  A 74  
A 75  1 n TYR . 75  A 75  
A 76  1 n ARG . 76  A 76  
A 77  1 n GLY . 77  A 77  
A 78  1 n ALA . 78  A 78  
A 79  1 n ASP . 79  A 79  
A 80  1 n ILE . 80  A 80  
A 81  1 n PHE . 81  A 81  
A 82  1 n VAL . 82  A 82  
A 83  1 n LEU . 83  A 83  
A 84  1 n ALA . 84  A 84  
A 85  1 n PHE . 85  A 85  
A 86  1 n SER . 86  A 86  
A 87  1 n LEU . 87  A 87  
A 88  1 n ILE . 88  A 88  
A 89  1 n SER . 89  A 89  
A 90  1 n LYS . 90  A 90  
A 91  1 n ALA . 91  A 91  
A 92  1 n SER . 92  A 92  
A 93  1 n TYR . 93  A 93  
A 94  1 n GLU . 94  A 94  
A 95  1 n ASN . 95  A 95  
A 96  1 n VAL . 96  A 96  
A 97  1 n LEU . 97  A 97  
A 98  1 n LYS . 98  A 98  
A 99  1 n LYS . 99  A 99  
A 100 1 n TRP . 100 A 100 
A 101 1 n MET . 101 A 101 
A 102 1 n PRO . 102 A 102 
A 103 1 n GLU . 103 A 103 
A 104 1 n LEU . 104 A 104 
A 105 1 n ARG . 105 A 105 
A 106 1 n ARG . 106 A 106 
A 107 1 n PHE . 107 A 107 
A 108 1 n ALA . 108 A 108 
A 109 1 n PRO . 109 A 109 
A 110 1 n ASN . 110 A 110 
A 111 1 n VAL . 111 A 111 
A 112 1 n PRO . 112 A 112 
A 113 1 n ILE . 113 A 113 
A 114 1 n VAL . 114 A 114 
A 115 1 n LEU . 115 A 115 
A 116 1 n VAL . 116 A 116 
A 117 1 n GLY . 117 A 117 
A 118 1 n THR . 118 A 118 
A 119 1 n LYS . 119 A 119 
A 120 1 n LEU . 120 A 120 
A 121 1 n ASP . 121 A 121 
A 122 1 n LEU . 122 A 122 
A 123 1 n ARG . 123 A 123 
A 124 1 n ASP . 124 A 124 
A 125 1 n ASP . 125 A 125 
A 126 1 n LYS . 126 A 126 
A 127 1 n GLY . 127 A 127 
A 128 1 n TYR . 128 A 128 
A 129 1 n LEU . 129 A 129 
A 130 1 n ALA . 130 A 130 
A 131 1 n ASP . 131 A 131 
A 132 1 n HIS . 132 A 132 
A 133 1 n THR . 133 A 133 
A 134 1 n ASN . 134 A 134 
A 135 1 n VAL . 135 A 135 
A 136 1 n ILE . 136 A 136 
A 137 1 n THR . 137 A 137 
A 138 1 n SER . 138 A 138 
A 139 1 n THR . 139 A 139 
A 140 1 n GLN . 140 A 140 
A 141 1 n GLY . 141 A 141 
A 142 1 n GLU . 142 A 142 
A 143 1 n GLU . 143 A 143 
A 144 1 n LEU . 144 A 144 
A 145 1 n ARG . 145 A 145 
A 146 1 n LYS . 146 A 146 
A 147 1 n GLN . 147 A 147 
A 148 1 n ILE . 148 A 148 
A 149 1 n GLY . 149 A 149 
A 150 1 n ALA . 150 A 150 
A 151 1 n ALA . 151 A 151 
A 152 1 n ALA . 152 A 152 
A 153 1 n TYR . 153 A 153 
A 154 1 n ILE . 154 A 154 
A 155 1 n GLU . 155 A 155 
A 156 1 n CYS . 156 A 156 
A 157 1 n SER . 157 A 157 
A 158 1 n SER . 158 A 158 
A 159 1 n LYS . 159 A 159 
A 160 1 n THR . 160 A 160 
A 161 1 n GLN . 161 A 161 
A 162 1 n GLN . 162 A 162 
A 163 1 n ASN . 163 A 163 
A 164 1 n VAL . 164 A 164 
A 165 1 n LYS . 165 A 165 
A 166 1 n ALA . 166 A 166 
A 167 1 n VAL . 167 A 167 
A 168 1 n PHE . 168 A 168 
A 169 1 n ASP . 169 A 169 
A 170 1 n THR . 170 A 170 
A 171 1 n ALA . 171 A 171 
A 172 1 n ILE . 172 A 172 
A 173 1 n LYS . 173 A 173 
A 174 1 n VAL . 174 A 174 
A 175 1 n VAL . 175 A 175 
A 176 1 n LEU . 176 A 176 
A 177 1 n GLN . 177 A 177 
A 178 1 n PRO . 178 A 178 
A 179 1 n PRO . 179 A 179 
A 180 1 n ARG . 180 A 180 
A 181 1 n ARG . 181 A 181 
A 182 1 n LYS . 182 A 182 
A 183 1 n GLU . 183 A 183 
A 184 1 n VAL . 184 A 184 
A 185 1 n PRO . 185 A 185 
A 186 1 n ARG . 186 A 186 
A 187 1 n ARG . 187 A 187 
A 188 1 n ARG . 188 A 188 
A 189 1 n LYS . 189 A 189 
A 190 1 n ASN . 190 A 190 
A 191 1 n HIS . 191 A 191 
A 192 1 n ARG . 192 A 192 
A 193 1 n ARG . 193 A 193 
A 194 1 n SER . 194 A 194 
A 195 1 n GLY . 195 A 195 
A 196 1 n CYS . 196 A 196 
#
_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  
3  C  
4  D  
5  E  
6  F  
7  G  
8  H  
9  I  
10 J  
11 K  
12 L  
13 M  
14 N  
15 O  
16 P  
17 Q  
18 R  
19 S  
20 T  
21 U  
22 V  
23 W  
24 X  
25 Y  
26 Z  
27 AA 
28 BA 
29 DA 
30 AB 
31 BB 
32 DB 
33 AC 
34 BC 
35 DC 
36 AD 
37 BD 
38 DD 
39 AE 
40 BE 
41 DE 
42 AF 
43 BF 
44 DF 
45 AG 
46 BG 
47 DG 
48 BH 
49 DH 
50 BI 
51 DI 
52 BJ 
53 DJ 
#
_struct_conn.conn_type_id            covale
_struct_conn.id                      covale1
_struct_conn.pdbx_ptnr1_PDB_ins_code ?
_struct_conn.pdbx_ptnr1_label_alt_id ?
_struct_conn.pdbx_ptnr2_PDB_ins_code ?
_struct_conn.pdbx_ptnr2_label_alt_id ?
_struct_conn.pdbx_role               ?
_struct_conn.pdbx_value_order        ?
_struct_conn.ptnr1_auth_asym_id      A
_struct_conn.ptnr1_auth_seq_id       196
_struct_conn.ptnr1_label_asym_id     A
_struct_conn.ptnr1_label_atom_id     SG
_struct_conn.ptnr1_label_comp_id     CYS
_struct_conn.ptnr1_label_seq_id      196
_struct_conn.ptnr1_symmetry          1_555
_struct_conn.ptnr2_auth_asym_id      C
_struct_conn.ptnr2_auth_seq_id       1
_struct_conn.ptnr2_label_asym_id     C
_struct_conn.ptnr2_label_atom_id     C1
_struct_conn.ptnr2_label_comp_id     GER
_struct_conn.ptnr2_label_seq_id      .
_struct_conn.ptnr2_symmetry          1_555
#
_struct_conn_type.criteria  ?
_struct_conn_type.id        covale
_struct_conn_type.reference ?
#
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   ? 7.970   -6.164  4.182   1.00 43.68 1   A  1 
ATOM   2    C CA    . MET    A  1  1   ? 9.221   -5.947  4.915   1.00 45.82 1   A  1 
ATOM   3    C C     . MET    A  1  1   ? 9.155   -6.661  6.259   1.00 45.75 1   A  1 
ATOM   4    O O     . MET    A  1  1   ? 8.143   -6.573  6.950   1.00 42.74 1   A  1 
ATOM   5    C CB    . MET    A  1  1   ? 9.463   -4.459  5.136   1.00 43.76 1   A  1 
ATOM   6    C CG    . MET    A  1  1   ? 9.582   -3.669  3.849   1.00 42.53 1   A  1 
ATOM   7    S SD    . MET    A  1  1   ? 9.816   -1.914  4.123   1.00 42.00 1   A  1 
ATOM   8    C CE    . MET    A  1  1   ? 9.839   -1.326  2.421   1.00 39.00 1   A  1 
ATOM   9    N N     . SER    A  1  2   ? 10.205  -7.337  6.571   1.00 48.72 2   A  1 
ATOM   10   C CA    . SER    A  1  2   ? 10.285  -8.106  7.812   1.00 50.02 2   A  1 
ATOM   11   C C     . SER    A  1  2   ? 9.089   -9.042  7.977   1.00 51.60 2   A  1 
ATOM   12   O O     . SER    A  1  2   ? 8.491   -9.117  9.047   1.00 47.97 2   A  1 
ATOM   13   C CB    . SER    A  1  2   ? 10.400  -7.171  9.026   1.00 45.87 2   A  1 
ATOM   14   O OG    . SER    A  1  2   ? 9.217   -6.447  9.253   1.00 41.89 2   A  1 
ATOM   15   N N     . ALA    A  1  3   ? 8.755   -9.733  6.904   1.00 50.24 3   A  1 
ATOM   16   C CA    . ALA    A  1  3   ? 7.634   -10.662 6.937   1.00 51.32 3   A  1 
ATOM   17   C C     . ALA    A  1  3   ? 8.147   -12.084 6.752   1.00 53.73 3   A  1 
ATOM   18   O O     . ALA    A  1  3   ? 8.324   -12.552 5.629   1.00 50.37 3   A  1 
ATOM   19   C CB    . ALA    A  1  3   ? 6.620   -10.312 5.853   1.00 47.22 3   A  1 
ATOM   20   N N     . SER    A  1  4   ? 8.377   -12.754 7.869   1.00 59.34 4   A  1 
ATOM   21   C CA    . SER    A  1  4   ? 8.846   -14.125 7.839   1.00 61.54 4   A  1 
ATOM   22   C C     . SER    A  1  4   ? 8.206   -14.882 8.998   1.00 66.83 4   A  1 
ATOM   23   O O     . SER    A  1  4   ? 8.518   -14.624 10.155  1.00 61.89 4   A  1 
ATOM   24   C CB    . SER    A  1  4   ? 10.367  -14.174 7.939   1.00 53.83 4   A  1 
ATOM   25   O OG    . SER    A  1  4   ? 10.829  -15.507 7.900   1.00 47.58 4   A  1 
ATOM   26   N N     . LYS    A  1  5   ? 7.311   -15.795 8.644   1.00 76.06 5   A  1 
ATOM   27   C CA    . LYS    A  1  5   ? 6.584   -16.570 9.644   1.00 80.24 5   A  1 
ATOM   28   C C     . LYS    A  1  5   ? 5.904   -15.626 10.643  1.00 83.58 5   A  1 
ATOM   29   O O     . LYS    A  1  5   ? 6.003   -15.791 11.858  1.00 80.47 5   A  1 
ATOM   30   C CB    . LYS    A  1  5   ? 7.526   -17.544 10.351  1.00 74.18 5   A  1 
ATOM   31   C CG    . LYS    A  1  5   ? 6.808   -18.637 11.116  1.00 64.01 5   A  1 
ATOM   32   C CD    . LYS    A  1  5   ? 7.775   -19.680 11.645  1.00 59.51 5   A  1 
ATOM   33   C CE    . LYS    A  1  5   ? 8.369   -20.512 10.526  1.00 50.96 5   A  1 
ATOM   34   N NZ    . LYS    A  1  5   ? 9.252   -21.595 11.051  1.00 44.94 5   A  1 
ATOM   35   N N     . PHE    A  1  6   ? 5.238   -14.649 10.101  1.00 85.74 6   A  1 
ATOM   36   C CA    . PHE    A  1  6   ? 4.525   -13.670 10.901  1.00 86.70 6   A  1 
ATOM   37   C C     . PHE    A  1  6   ? 3.068   -14.089 11.033  1.00 87.54 6   A  1 
ATOM   38   O O     . PHE    A  1  6   ? 2.454   -14.522 10.060  1.00 84.89 6   A  1 
ATOM   39   C CB    . PHE    A  1  6   ? 4.626   -12.294 10.244  1.00 84.03 6   A  1 
ATOM   40   C CG    . PHE    A  1  6   ? 3.870   -11.208 10.956  1.00 82.07 6   A  1 
ATOM   41   C CD1   . PHE    A  1  6   ? 4.384   -10.624 12.101  1.00 75.15 6   A  1 
ATOM   42   C CD2   . PHE    A  1  6   ? 2.648   -10.765 10.476  1.00 74.02 6   A  1 
ATOM   43   C CE1   . PHE    A  1  6   ? 3.690   -9.619  12.756  1.00 71.09 6   A  1 
ATOM   44   C CE2   . PHE    A  1  6   ? 1.947   -9.762  11.125  1.00 70.12 6   A  1 
ATOM   45   C CZ    . PHE    A  1  6   ? 2.472   -9.188  12.269  1.00 70.92 6   A  1 
ATOM   46   N N     . ILE    A  1  7   ? 2.539   -13.952 12.236  1.00 86.75 7   A  1 
ATOM   47   C CA    . ILE    A  1  7   ? 1.145   -14.293 12.492  1.00 88.03 7   A  1 
ATOM   48   C C     . ILE    A  1  7   ? 0.415   -13.051 12.970  1.00 88.20 7   A  1 
ATOM   49   O O     . ILE    A  1  7   ? 0.796   -12.455 13.978  1.00 85.73 7   A  1 
ATOM   50   C CB    . ILE    A  1  7   ? 1.021   -15.413 13.544  1.00 86.66 7   A  1 
ATOM   51   C CG1   . ILE    A  1  7   ? 1.602   -16.715 12.988  1.00 80.44 7   A  1 
ATOM   52   C CG2   . ILE    A  1  7   ? -0.435  -15.601 13.956  1.00 79.13 7   A  1 
ATOM   53   C CD1   . ILE    A  1  7   ? 1.636   -17.855 13.985  1.00 75.71 7   A  1 
ATOM   54   N N     . LYS    A  1  8   ? -0.630  -12.699 12.252  1.00 89.60 8   A  1 
ATOM   55   C CA    . LYS    A  1  8   ? -1.452  -11.565 12.639  1.00 90.16 8   A  1 
ATOM   56   C C     . LYS    A  1  8   ? -2.679  -12.067 13.382  1.00 90.16 8   A  1 
ATOM   57   O O     . LYS    A  1  8   ? -3.531  -12.741 12.802  1.00 88.51 8   A  1 
ATOM   58   C CB    . LYS    A  1  8   ? -1.865  -10.747 11.423  1.00 88.94 8   A  1 
ATOM   59   C CG    . LYS    A  1  8   ? -2.784  -9.585  11.771  1.00 87.94 8   A  1 
ATOM   60   C CD    . LYS    A  1  8   ? -3.046  -8.675  10.584  1.00 86.00 8   A  1 
ATOM   61   C CE    . LYS    A  1  8   ? -3.992  -7.556  10.977  1.00 84.02 8   A  1 
ATOM   62   N NZ    . LYS    A  1  8   ? -4.203  -6.581  9.874   1.00 79.38 8   A  1 
ATOM   63   N N     . CYS    A  1  9   ? -2.757  -11.717 14.649  1.00 89.48 9   A  1 
ATOM   64   C CA    . CYS    A  1  9   ? -3.865  -12.120 15.500  1.00 89.79 9   A  1 
ATOM   65   C C     . CYS    A  1  9   ? -4.713  -10.896 15.817  1.00 89.65 9   A  1 
ATOM   66   O O     . CYS    A  1  9   ? -4.216  -9.928  16.391  1.00 87.35 9   A  1 
ATOM   67   C CB    . CYS    A  1  9   ? -3.332  -12.756 16.781  1.00 88.84 9   A  1 
ATOM   68   S SG    . CYS    A  1  9   ? -4.606  -13.226 17.963  1.00 84.08 9   A  1 
ATOM   69   N N     . VAL    A  1  10  ? -5.973  -10.958 15.433  1.00 90.19 10  A  1 
ATOM   70   C CA    . VAL    A  1  10  ? -6.881  -9.831  15.634  1.00 90.19 10  A  1 
ATOM   71   C C     . VAL    A  1  10  ? -7.934  -10.201 16.668  1.00 90.33 10  A  1 
ATOM   72   O O     . VAL    A  1  10  ? -8.603  -11.225 16.540  1.00 88.24 10  A  1 
ATOM   73   C CB    . VAL    A  1  10  ? -7.565  -9.427  14.319  1.00 89.01 10  A  1 
ATOM   74   C CG1   . VAL    A  1  10  ? -8.524  -8.268  14.547  1.00 80.03 10  A  1 
ATOM   75   C CG2   . VAL    A  1  10  ? -6.524  -9.061  13.274  1.00 80.69 10  A  1 
ATOM   76   N N     . THR    A  1  11  ? -8.081  -9.347  17.665  1.00 89.28 11  A  1 
ATOM   77   C CA    . THR    A  1  11  ? -9.041  -9.586  18.734  1.00 89.28 11  A  1 
ATOM   78   C C     . THR    A  1  11  ? -10.319 -8.796  18.480  1.00 88.63 11  A  1 
ATOM   79   O O     . THR    A  1  11  ? -10.271 -7.585  18.267  1.00 85.59 11  A  1 
ATOM   80   C CB    . THR    A  1  11  ? -8.448  -9.197  20.090  1.00 88.23 11  A  1 
ATOM   81   O OG1   . THR    A  1  11  ? -7.243  -9.943  20.310  1.00 75.56 11  A  1 
ATOM   82   C CG2   . THR    A  1  11  ? -9.423  -9.480  21.215  1.00 76.00 11  A  1 
ATOM   83   N N     . VAL    A  1  12  ? -11.439 -9.487  18.525  1.00 89.97 12  A  1 
ATOM   84   C CA    . VAL    A  1  12  ? -12.733 -8.853  18.296  1.00 90.36 12  A  1 
ATOM   85   C C     . VAL    A  1  12  ? -13.722 -9.305  19.362  1.00 90.23 12  A  1 
ATOM   86   O O     . VAL    A  1  12  ? -13.497 -10.288 20.066  1.00 86.98 12  A  1 
ATOM   87   C CB    . VAL    A  1  12  ? -13.294 -9.183  16.898  1.00 89.13 12  A  1 
ATOM   88   C CG1   . VAL    A  1  12  ? -12.342 -8.706  15.814  1.00 78.08 12  A  1 
ATOM   89   C CG2   . VAL    A  1  12  ? -13.551 -10.673 16.760  1.00 78.94 12  A  1 
ATOM   90   N N     . GLY    A  1  13  ? -14.813 -8.560  19.465  1.00 89.98 13  A  1 
ATOM   91   C CA    . GLY    A  1  13  ? -15.838 -8.886  20.439  1.00 89.87 13  A  1 
ATOM   92   C C     . GLY    A  1  13  ? -16.559 -7.636  20.902  1.00 89.58 13  A  1 
ATOM   93   O O     . GLY    A  1  13  ? -16.130 -6.523  20.610  1.00 84.95 13  A  1 
ATOM   94   N N     . ASP    A  1  14  ? -17.646 -7.835  21.628  1.00 89.81 14  A  1 
ATOM   95   C CA    . ASP    A  1  14  ? -18.430 -6.711  22.129  1.00 89.62 14  A  1 
ATOM   96   C C     . ASP    A  1  14  ? -17.599 -5.774  22.992  1.00 89.27 14  A  1 
ATOM   97   O O     . ASP    A  1  14  ? -16.535 -6.137  23.502  1.00 85.28 14  A  1 
ATOM   98   C CB    . ASP    A  1  14  ? -19.619 -7.211  22.946  1.00 88.19 14  A  1 
ATOM   99   C CG    . ASP    A  1  14  ? -20.786 -7.642  22.080  1.00 86.65 14  A  1 
ATOM   100  O OD1   . ASP    A  1  14  ? -20.661 -7.631  20.839  1.00 80.17 14  A  1 
ATOM   101  O OD2   . ASP    A  1  14  ? -21.843 -7.979  22.650  1.00 81.28 14  A  1 
ATOM   102  N N     . GLY    A  1  15  ? -18.119 -4.561  23.150  1.00 88.16 15  A  1 
ATOM   103  C CA    . GLY    A  1  15  ? -17.450 -3.606  24.004  1.00 87.44 15  A  1 
ATOM   104  C C     . GLY    A  1  15  ? -17.470 -4.054  25.452  1.00 87.85 15  A  1 
ATOM   105  O O     . GLY    A  1  15  ? -18.426 -4.668  25.909  1.00 83.99 15  A  1 
ATOM   106  N N     . ALA    A  1  16  ? -16.395 -3.740  26.156  1.00 86.23 16  A  1 
ATOM   107  C CA    . ALA    A  1  16  ? -16.275 -4.011  27.586  1.00 86.74 16  A  1 
ATOM   108  C C     . ALA    A  1  16  ? -16.223 -5.489  27.953  1.00 87.50 16  A  1 
ATOM   109  O O     . ALA    A  1  16  ? -16.388 -5.835  29.123  1.00 83.00 16  A  1 
ATOM   110  C CB    . ALA    A  1  16  ? -17.391 -3.324  28.366  1.00 83.95 16  A  1 
ATOM   111  N N     . VAL    A  1  17  ? -15.980 -6.354  26.998  1.00 89.01 17  A  1 
ATOM   112  C CA    . VAL    A  1  17  ? -15.839 -7.771  27.336  1.00 89.54 17  A  1 
ATOM   113  C C     . VAL    A  1  17  ? -14.449 -8.096  27.876  1.00 89.36 17  A  1 
ATOM   114  O O     . VAL    A  1  17  ? -14.247 -9.168  28.444  1.00 85.42 17  A  1 
ATOM   115  C CB    . VAL    A  1  17  ? -16.149 -8.693  26.139  1.00 88.76 17  A  1 
ATOM   116  C CG1   . VAL    A  1  17  ? -17.571 -8.465  25.642  1.00 78.61 17  A  1 
ATOM   117  C CG2   . VAL    A  1  17  ? -15.141 -8.502  25.017  1.00 79.65 17  A  1 
ATOM   118  N N     . GLY    A  1  18  ? -13.518 -7.188  27.698  1.00 88.49 18  A  1 
ATOM   119  C CA    . GLY    A  1  18  ? -12.184 -7.393  28.235  1.00 88.79 18  A  1 
ATOM   120  C C     . GLY    A  1  18  ? -11.097 -7.654  27.214  1.00 89.14 18  A  1 
ATOM   121  O O     . GLY    A  1  18  ? -10.061 -8.229  27.550  1.00 85.24 18  A  1 
ATOM   122  N N     . LYS    A  1  19  ? -11.323 -7.252  25.985  1.00 88.46 19  A  1 
ATOM   123  C CA    . LYS    A  1  19  ? -10.332 -7.490  24.935  1.00 88.40 19  A  1 
ATOM   124  C C     . LYS    A  1  19  ? -9.024  -6.757  25.217  1.00 88.41 19  A  1 
ATOM   125  O O     . LYS    A  1  19  ? -7.941  -7.344  25.150  1.00 86.42 19  A  1 
ATOM   126  C CB    . LYS    A  1  19  ? -10.883 -7.055  23.576  1.00 87.03 19  A  1 
ATOM   127  C CG    . LYS    A  1  19  ? -12.157 -7.766  23.163  1.00 84.99 19  A  1 
ATOM   128  C CD    . LYS    A  1  19  ? -12.591 -7.368  21.756  1.00 83.43 19  A  1 
ATOM   129  C CE    . LYS    A  1  19  ? -12.915 -5.883  21.646  1.00 81.14 19  A  1 
ATOM   130  N NZ    . LYS    A  1  19  ? -14.052 -5.493  22.514  1.00 79.28 19  A  1 
ATOM   131  N N     . THR    A  1  20  ? -9.135  -5.484  25.517  1.00 87.38 20  A  1 
ATOM   132  C CA    . THR    A  1  20  ? -7.944  -4.680  25.765  1.00 86.93 20  A  1 
ATOM   133  C C     . THR    A  1  20  ? -7.209  -5.163  27.011  1.00 87.37 20  A  1 
ATOM   134  O O     . THR    A  1  20  ? -5.981  -5.266  27.013  1.00 85.48 20  A  1 
ATOM   135  C CB    . THR    A  1  20  ? -8.314  -3.201  25.897  1.00 85.13 20  A  1 
ATOM   136  O OG1   . THR    A  1  20  ? -8.917  -2.755  24.683  1.00 76.28 20  A  1 
ATOM   137  C CG2   . THR    A  1  20  ? -7.085  -2.352  26.187  1.00 74.60 20  A  1 
ATOM   138  N N     . CYS    A  1  21  ? -7.958  -5.462  28.058  1.00 88.21 21  A  1 
ATOM   139  C CA    . CYS    A  1  21  ? -7.337  -5.960  29.282  1.00 88.31 21  A  1 
ATOM   140  C C     . CYS    A  1  21  ? -6.603  -7.274  29.031  1.00 88.75 21  A  1 
ATOM   141  O O     . CYS    A  1  21  ? -5.515  -7.492  29.562  1.00 87.11 21  A  1 
ATOM   142  C CB    . CYS    A  1  21  ? -8.381  -6.150  30.376  1.00 86.91 21  A  1 
ATOM   143  S SG    . CYS    A  1  21  ? -8.966  -4.601  31.099  1.00 81.20 21  A  1 
ATOM   144  N N     . MET    A  1  22  ? -7.199  -8.124  28.234  1.00 87.71 22  A  1 
ATOM   145  C CA    . MET    A  1  22  ? -6.565  -9.402  27.924  1.00 88.50 22  A  1 
ATOM   146  C C     . MET    A  1  22  ? -5.238  -9.184  27.194  1.00 88.29 22  A  1 
ATOM   147  O O     . MET    A  1  22  ? -4.235  -9.828  27.513  1.00 86.20 22  A  1 
ATOM   148  C CB    . MET    A  1  22  ? -7.503  -10.262 27.077  1.00 88.08 22  A  1 
ATOM   149  C CG    . MET    A  1  22  ? -6.953  -11.634 26.736  1.00 84.81 22  A  1 
ATOM   150  S SD    . MET    A  1  22  ? -8.140  -12.670 25.854  1.00 84.63 22  A  1 
ATOM   151  C CE    . MET    A  1  22  ? -8.328  -11.760 24.327  1.00 76.47 22  A  1 
ATOM   152  N N     . LEU    A  1  23  ? -5.241  -8.290  26.244  1.00 88.07 23  A  1 
ATOM   153  C CA    . LEU    A  1  23  ? -4.022  -8.012  25.491  1.00 87.85 23  A  1 
ATOM   154  C C     . LEU    A  1  23  ? -2.962  -7.347  26.360  1.00 87.54 23  A  1 
ATOM   155  O O     . LEU    A  1  23  ? -1.776  -7.673  26.263  1.00 85.26 23  A  1 
ATOM   156  C CB    . LEU    A  1  23  ? -4.343  -7.139  24.282  1.00 86.96 23  A  1 
ATOM   157  C CG    . LEU    A  1  23  ? -5.167  -7.817  23.187  1.00 85.48 23  A  1 
ATOM   158  C CD1   . LEU    A  1  23  ? -5.726  -6.791  22.219  1.00 79.19 23  A  1 
ATOM   159  C CD2   . LEU    A  1  23  ? -4.320  -8.833  22.445  1.00 79.65 23  A  1 
ATOM   160  N N     . ILE    A  1  24  ? -3.383  -6.426  27.195  1.00 86.72 24  A  1 
ATOM   161  C CA    . ILE    A  1  24  ? -2.443  -5.752  28.084  1.00 85.94 24  A  1 
ATOM   162  C C     . ILE    A  1  24  ? -1.837  -6.748  29.066  1.00 86.01 24  A  1 
ATOM   163  O O     . ILE    A  1  24  ? -0.631  -6.727  29.319  1.00 84.47 24  A  1 
ATOM   164  C CB    . ILE    A  1  24  ? -3.128  -4.589  28.825  1.00 84.37 24  A  1 
ATOM   165  C CG1   . ILE    A  1  24  ? -3.436  -3.454  27.845  1.00 80.01 24  A  1 
ATOM   166  C CG2   . ILE    A  1  24  ? -2.252  -4.085  29.965  1.00 78.33 24  A  1 
ATOM   167  C CD1   . ILE    A  1  24  ? -4.314  -2.361  28.407  1.00 72.73 24  A  1 
ATOM   168  N N     . CYS    A  1  25  ? -2.664  -7.618  29.606  1.00 88.35 25  A  1 
ATOM   169  C CA    . CYS    A  1  25  ? -2.161  -8.620  30.541  1.00 88.04 25  A  1 
ATOM   170  C C     . CYS    A  1  25  ? -1.181  -9.571  29.861  1.00 87.92 25  A  1 
ATOM   171  O O     . CYS    A  1  25  ? -0.181  -9.966  30.454  1.00 85.40 25  A  1 
ATOM   172  C CB    . CYS    A  1  25  ? -3.315  -9.404  31.152  1.00 86.89 25  A  1 
ATOM   173  S SG    . CYS    A  1  25  ? -4.271  -8.452  32.349  1.00 76.03 25  A  1 
ATOM   174  N N     . TYR    A  1  26  ? -1.485  -9.926  28.641  1.00 87.60 26  A  1 
ATOM   175  C CA    . TYR    A  1  26  ? -0.600  -10.835 27.922  1.00 87.56 26  A  1 
ATOM   176  C C     . TYR    A  1  26  ? 0.751   -10.194 27.621  1.00 86.81 26  A  1 
ATOM   177  O O     . TYR    A  1  26  ? 1.792   -10.837 27.763  1.00 83.87 26  A  1 
ATOM   178  C CB    . TYR    A  1  26  ? -1.259  -11.292 26.624  1.00 87.40 26  A  1 
ATOM   179  C CG    . TYR    A  1  26  ? -0.395  -12.213 25.795  1.00 87.99 26  A  1 
ATOM   180  C CD1   . TYR    A  1  26  ? -0.094  -13.492 26.240  1.00 82.67 26  A  1 
ATOM   181  C CD2   . TYR    A  1  26  ? 0.117   -11.808 24.573  1.00 83.26 26  A  1 
ATOM   182  C CE1   . TYR    A  1  26  ? 0.696   -14.340 25.488  1.00 82.14 26  A  1 
ATOM   183  C CE2   . TYR    A  1  26  ? 0.907   -12.650 23.812  1.00 82.49 26  A  1 
ATOM   184  C CZ    . TYR    A  1  26  ? 1.192   -13.914 24.274  1.00 85.29 26  A  1 
ATOM   185  O OH    . TYR    A  1  26  ? 1.977   -14.756 23.525  1.00 83.99 26  A  1 
ATOM   186  N N     . THR    A  1  27  ? 0.727   -8.946  27.231  1.00 85.70 27  A  1 
ATOM   187  C CA    . THR    A  1  27  ? 1.965   -8.273  26.841  1.00 84.27 27  A  1 
ATOM   188  C C     . THR    A  1  27  ? 2.720   -7.657  28.011  1.00 83.33 27  A  1 
ATOM   189  O O     . THR    A  1  27  ? 3.938   -7.499  27.941  1.00 79.94 27  A  1 
ATOM   190  C CB    . THR    A  1  27  ? 1.682   -7.175  25.811  1.00 82.91 27  A  1 
ATOM   191  O OG1   . THR    A  1  27  ? 0.790   -6.204  26.372  1.00 74.07 27  A  1 
ATOM   192  C CG2   . THR    A  1  27  ? 1.068   -7.759  24.552  1.00 72.77 27  A  1 
ATOM   193  N N     . SER    A  1  28  ? 2.007   -7.311  29.069  1.00 84.85 28  A  1 
ATOM   194  C CA    . SER    A  1  28  ? 2.630   -6.594  30.179  1.00 83.03 28  A  1 
ATOM   195  C C     . SER    A  1  28  ? 2.518   -7.301  31.528  1.00 82.54 28  A  1 
ATOM   196  O O     . SER    A  1  28  ? 3.143   -6.865  32.497  1.00 77.54 28  A  1 
ATOM   197  C CB    . SER    A  1  28  ? 2.032   -5.195  30.304  1.00 80.10 28  A  1 
ATOM   198  O OG    . SER    A  1  28  ? 2.160   -4.472  29.098  1.00 70.42 28  A  1 
ATOM   199  N N     . ASN    A  1  29  ? 1.733   -8.354  31.597  1.00 82.48 29  A  1 
ATOM   200  C CA    . ASN    A  1  29  ? 1.499   -9.052  32.863  1.00 82.62 29  A  1 
ATOM   201  C C     . ASN    A  1  29  ? 0.942   -8.106  33.925  1.00 83.25 29  A  1 
ATOM   202  O O     . ASN    A  1  29  ? 1.260   -8.219  35.106  1.00 77.32 29  A  1 
ATOM   203  C CB    . ASN    A  1  29  ? 2.784   -9.714  33.366  1.00 79.30 29  A  1 
ATOM   204  C CG    . ASN    A  1  29  ? 3.225   -10.859 32.476  1.00 74.00 29  A  1 
ATOM   205  O OD1   . ASN    A  1  29  ? 2.406   -11.600 31.942  1.00 64.23 29  A  1 
ATOM   206  N ND2   . ASN    A  1  29  ? 4.533   -11.005 32.312  1.00 64.15 29  A  1 
ATOM   207  N N     . LYS    A  1  30  ? 0.111   -7.177  33.486  1.00 81.89 30  A  1 
ATOM   208  C CA    . LYS    A  1  30  ? -0.512  -6.220  34.387  1.00 81.33 30  A  1 
ATOM   209  C C     . LYS    A  1  30  ? -1.982  -6.071  34.035  1.00 81.36 30  A  1 
ATOM   210  O O     . LYS    A  1  30  ? -2.351  -6.092  32.864  1.00 76.65 30  A  1 
ATOM   211  C CB    . LYS    A  1  30  ? 0.174   -4.857  34.303  1.00 77.35 30  A  1 
ATOM   212  C CG    . LYS    A  1  30  ? 1.607   -4.845  34.813  1.00 70.36 30  A  1 
ATOM   213  C CD    . LYS    A  1  30  ? 2.214   -3.461  34.717  1.00 64.60 30  A  1 
ATOM   214  C CE    . LYS    A  1  30  ? 3.640   -3.449  35.234  1.00 56.20 30  A  1 
ATOM   215  N NZ    . LYS    A  1  30  ? 4.256   -2.098  35.132  1.00 49.59 30  A  1 
ATOM   216  N N     . PHE    A  1  31  ? -2.794  -5.915  35.062  1.00 81.79 31  A  1 
ATOM   217  C CA    . PHE    A  1  31  ? -4.220  -5.719  34.858  1.00 82.07 31  A  1 
ATOM   218  C C     . PHE    A  1  31  ? -4.563  -4.248  35.073  1.00 82.06 31  A  1 
ATOM   219  O O     . PHE    A  1  31  ? -4.323  -3.716  36.157  1.00 77.02 31  A  1 
ATOM   220  C CB    . PHE    A  1  31  ? -5.022  -6.589  35.820  1.00 78.56 31  A  1 
ATOM   221  C CG    . PHE    A  1  31  ? -6.509  -6.447  35.663  1.00 77.41 31  A  1 
ATOM   222  C CD1   . PHE    A  1  31  ? -7.156  -7.005  34.578  1.00 72.09 31  A  1 
ATOM   223  C CD2   . PHE    A  1  31  ? -7.255  -5.755  36.599  1.00 71.66 31  A  1 
ATOM   224  C CE1   . PHE    A  1  31  ? -8.522  -6.876  34.426  1.00 68.45 31  A  1 
ATOM   225  C CE2   . PHE    A  1  31  ? -8.625  -5.621  36.450  1.00 68.38 31  A  1 
ATOM   226  C CZ    . PHE    A  1  31  ? -9.258  -6.184  35.363  1.00 71.19 31  A  1 
ATOM   227  N N     . PRO    A  1  32  ? -5.118  -3.596  34.080  1.00 81.40 32  A  1 
ATOM   228  C CA    . PRO    A  1  32  ? -5.471  -2.183  34.235  1.00 79.91 32  A  1 
ATOM   229  C C     . PRO    A  1  32  ? -6.506  -1.996  35.338  1.00 79.87 32  A  1 
ATOM   230  O O     . PRO    A  1  32  ? -7.539  -2.658  35.345  1.00 74.71 32  A  1 
ATOM   231  C CB    . PRO    A  1  32  ? -6.051  -1.805  32.872  1.00 76.04 32  A  1 
ATOM   232  C CG    . PRO    A  1  32  ? -5.535  -2.840  31.931  1.00 74.46 32  A  1 
ATOM   233  C CD    . PRO    A  1  32  ? -5.403  -4.096  32.731  1.00 78.01 32  A  1 
ATOM   234  N N     . THR    A  1  33  ? -6.211  -1.088  36.242  1.00 79.17 33  A  1 
ATOM   235  C CA    . THR    A  1  33  ? -7.118  -0.844  37.357  1.00 77.48 33  A  1 
ATOM   236  C C     . THR    A  1  33  ? -8.330  -0.017  36.952  1.00 77.02 33  A  1 
ATOM   237  O O     . THR    A  1  33  ? -9.397  -0.149  37.549  1.00 71.29 33  A  1 
ATOM   238  C CB    . THR    A  1  33  ? -6.387  -0.138  38.499  1.00 73.46 33  A  1 
ATOM   239  O OG1   . THR    A  1  33  ? -5.824  1.087   38.019  1.00 66.32 33  A  1 
ATOM   240  C CG2   . THR    A  1  33  ? -5.282  -1.017  39.053  1.00 63.49 33  A  1 
ATOM   241  N N     . ASP    A  1  34  ? -8.160  0.824   35.953  1.00 77.34 34  A  1 
ATOM   242  C CA    . ASP    A  1  34  ? -9.248  1.671   35.488  1.00 75.87 34  A  1 
ATOM   243  C C     . ASP    A  1  34  ? -9.666  1.278   34.083  1.00 75.39 34  A  1 
ATOM   244  O O     . ASP    A  1  34  ? -8.859  0.775   33.303  1.00 71.28 34  A  1 
ATOM   245  C CB    . ASP    A  1  34  ? -8.834  3.141   35.500  1.00 72.74 34  A  1 
ATOM   246  C CG    . ASP    A  1  34  ? -8.550  3.653   36.897  1.00 66.24 34  A  1 
ATOM   247  O OD1   . ASP    A  1  34  ? -9.150  3.135   37.857  1.00 59.84 34  A  1 
ATOM   248  O OD2   . ASP    A  1  34  ? -7.734  4.581   37.029  1.00 59.62 34  A  1 
ATOM   249  N N     . TYR    A  1  35  ? -10.936 1.531   33.788  1.00 76.44 35  A  1 
ATOM   250  C CA    . TYR    A  1  35  ? -11.408 1.270   32.435  1.00 74.64 35  A  1 
ATOM   251  C C     . TYR    A  1  35  ? -10.733 2.234   31.472  1.00 74.69 35  A  1 
ATOM   252  O O     . TYR    A  1  35  ? -10.727 3.440   31.692  1.00 70.60 35  A  1 
ATOM   253  C CB    . TYR    A  1  35  ? -12.923 1.423   32.337  1.00 70.51 35  A  1 
ATOM   254  C CG    . TYR    A  1  35  ? -13.420 1.412   30.907  1.00 66.78 35  A  1 
ATOM   255  C CD1   . TYR    A  1  35  ? -13.516 0.225   30.203  1.00 60.97 35  A  1 
ATOM   256  C CD2   . TYR    A  1  35  ? -13.771 2.587   30.261  1.00 60.67 35  A  1 
ATOM   257  C CE1   . TYR    A  1  35  ? -13.954 0.202   28.891  1.00 56.74 35  A  1 
ATOM   258  C CE2   . TYR    A  1  35  ? -14.207 2.577   28.946  1.00 56.58 35  A  1 
ATOM   259  C CZ    . TYR    A  1  35  ? -14.300 1.381   28.266  1.00 56.91 35  A  1 
ATOM   260  O OH    . TYR    A  1  35  ? -14.734 1.364   26.962  1.00 52.35 35  A  1 
ATOM   261  N N     . ILE    A  1  36  ? -10.190 1.673   30.419  1.00 73.48 36  A  1 
ATOM   262  C CA    . ILE    A  1  36  ? -9.552  2.476   29.387  1.00 72.11 36  A  1 
ATOM   263  C C     . ILE    A  1  36  ? -10.204 2.116   28.061  1.00 71.89 36  A  1 
ATOM   264  O O     . ILE    A  1  36  ? -10.254 0.939   27.701  1.00 66.93 36  A  1 
ATOM   265  C CB    . ILE    A  1  36  ? -8.043  2.210   29.312  1.00 68.09 36  A  1 
ATOM   266  C CG1   . ILE    A  1  36  ? -7.384  2.480   30.668  1.00 61.06 36  A  1 
ATOM   267  C CG2   . ILE    A  1  36  ? -7.409  3.078   28.235  1.00 59.78 36  A  1 
ATOM   268  C CD1   . ILE    A  1  36  ? -5.936  2.059   30.736  1.00 54.15 36  A  1 
ATOM   269  N N     . PRO    A  1  37  ? -10.705 3.103   27.345  1.00 72.86 37  A  1 
ATOM   270  C CA    . PRO    A  1  37  ? -11.266 2.796   26.031  1.00 71.05 37  A  1 
ATOM   271  C C     . PRO    A  1  37  ? -10.187 2.197   25.143  1.00 71.48 37  A  1 
ATOM   272  O O     . PRO    A  1  37  ? -9.003  2.334   25.437  1.00 67.89 37  A  1 
ATOM   273  C CB    . PRO    A  1  37  ? -11.711 4.157   25.495  1.00 67.06 37  A  1 
ATOM   274  C CG    . PRO    A  1  37  ? -11.763 5.050   26.671  1.00 64.23 37  A  1 
ATOM   275  C CD    . PRO    A  1  37  ? -10.779 4.528   27.662  1.00 67.24 37  A  1 
ATOM   276  N N     . THR    A  1  38  ? -10.606 1.557   24.091  1.00 75.90 38  A  1 
ATOM   277  C CA    . THR    A  1  38  ? -9.665  0.902   23.190  1.00 74.41 38  A  1 
ATOM   278  C C     . THR    A  1  38  ? -8.477  1.806   22.879  1.00 74.51 38  A  1 
ATOM   279  O O     . THR    A  1  38  ? -8.637  2.867   22.282  1.00 70.23 38  A  1 
ATOM   280  C CB    . THR    A  1  38  ? -10.365 0.505   21.893  1.00 69.79 38  A  1 
ATOM   281  O OG1   . THR    A  1  38  ? -11.508 -0.293  22.195  1.00 63.66 38  A  1 
ATOM   282  C CG2   . THR    A  1  38  ? -9.426  -0.277  21.000  1.00 62.02 38  A  1 
ATOM   283  N N     . VAL    A  1  39  ? -7.310  1.369   23.316  1.00 71.29 39  A  1 
ATOM   284  C CA    . VAL    A  1  39  ? -6.108  2.178   23.163  1.00 70.31 39  A  1 
ATOM   285  C C     . VAL    A  1  39  ? -4.877  1.309   22.935  1.00 71.46 39  A  1 
ATOM   286  O O     . VAL    A  1  39  ? -3.783  1.825   22.732  1.00 66.22 39  A  1 
ATOM   287  C CB    . VAL    A  1  39  ? -5.899  3.069   24.404  1.00 64.97 39  A  1 
ATOM   288  C CG1   . VAL    A  1  39  ? -5.502  2.226   25.601  1.00 57.58 39  A  1 
ATOM   289  C CG2   . VAL    A  1  39  ? -4.869  4.151   24.135  1.00 59.22 39  A  1 
ATOM   290  N N     . PHE    A  1  40  ? -5.054  0.016   22.980  1.00 73.19 40  A  1 
ATOM   291  C CA    . PHE    A  1  40  ? -3.932  -0.895  22.826  1.00 72.66 40  A  1 
ATOM   292  C C     . PHE    A  1  40  ? -3.260  -0.701  21.471  1.00 74.93 40  A  1 
ATOM   293  O O     . PHE    A  1  40  ? -3.910  -0.778  20.433  1.00 68.85 40  A  1 
ATOM   294  C CB    . PHE    A  1  40  ? -4.411  -2.336  22.971  1.00 66.82 40  A  1 
ATOM   295  C CG    . PHE    A  1  40  ? -3.316  -3.354  22.877  1.00 64.53 40  A  1 
ATOM   296  C CD1   . PHE    A  1  40  ? -2.564  -3.678  23.988  1.00 59.00 40  A  1 
ATOM   297  C CD2   . PHE    A  1  40  ? -3.041  -3.982  21.678  1.00 59.07 40  A  1 
ATOM   298  C CE1   . PHE    A  1  40  ? -1.552  -4.615  23.909  1.00 54.32 40  A  1 
ATOM   299  C CE2   . PHE    A  1  40  ? -2.027  -4.919  21.587  1.00 54.05 40  A  1 
ATOM   300  C CZ    . PHE    A  1  40  ? -1.282  -5.237  22.705  1.00 56.43 40  A  1 
ATOM   301  N N     . ASP    A  1  41  ? -1.977  -0.461  21.516  1.00 76.37 41  A  1 
ATOM   302  C CA    . ASP    A  1  41  ? -1.221  -0.274  20.291  1.00 75.21 41  A  1 
ATOM   303  C C     . ASP    A  1  41  ? -0.815  -1.630  19.726  1.00 76.44 41  A  1 
ATOM   304  O O     . ASP    A  1  41  ? -0.528  -2.556  20.480  1.00 71.15 41  A  1 
ATOM   305  C CB    . ASP    A  1  41  ? 0.017   0.575   20.561  1.00 70.51 41  A  1 
ATOM   306  C CG    . ASP    A  1  41  ? 0.703   1.034   19.291  1.00 65.78 41  A  1 
ATOM   307  O OD1   . ASP    A  1  41  ? 0.066   1.018   18.220  1.00 59.53 41  A  1 
ATOM   308  O OD2   . ASP    A  1  41  ? 1.885   1.418   19.366  1.00 59.06 41  A  1 
ATOM   309  N N     . ASN    A  1  42  ? -0.796  -1.721  18.416  1.00 80.21 42  A  1 
ATOM   310  C CA    . ASN    A  1  42  ? -0.408  -2.975  17.789  1.00 79.56 42  A  1 
ATOM   311  C C     . ASN    A  1  42  ? 0.946   -3.425  18.316  1.00 79.95 42  A  1 
ATOM   312  O O     . ASN    A  1  42  ? 1.890   -2.641  18.388  1.00 74.33 42  A  1 
ATOM   313  C CB    . ASN    A  1  42  ? -0.363  -2.834  16.273  1.00 74.94 42  A  1 
ATOM   314  C CG    . ASN    A  1  42  ? -1.738  -2.649  15.666  1.00 68.35 42  A  1 
ATOM   315  O OD1   . ASN    A  1  42  ? -2.757  -2.882  16.317  1.00 59.73 42  A  1 
ATOM   316  N ND2   . ASN    A  1  42  ? -1.771  -2.240  14.408  1.00 61.99 42  A  1 
ATOM   317  N N     . PHE    A  1  43  ? 1.004   -4.680  18.670  1.00 82.42 43  A  1 
ATOM   318  C CA    . PHE    A  1  43  ? 2.185   -5.235  19.304  1.00 82.12 43  A  1 
ATOM   319  C C     . PHE    A  1  43  ? 2.721   -6.392  18.480  1.00 83.49 43  A  1 
ATOM   320  O O     . PHE    A  1  43  ? 1.960   -7.149  17.885  1.00 79.37 43  A  1 
ATOM   321  C CB    . PHE    A  1  43  ? 1.837   -5.701  20.721  1.00 77.43 43  A  1 
ATOM   322  C CG    . PHE    A  1  43  ? 2.988   -6.303  21.475  1.00 70.94 43  A  1 
ATOM   323  C CD1   . PHE    A  1  43  ? 3.891   -5.499  22.141  1.00 65.21 43  A  1 
ATOM   324  C CD2   . PHE    A  1  43  ? 3.161   -7.675  21.519  1.00 63.09 43  A  1 
ATOM   325  C CE1   . PHE    A  1  43  ? 4.949   -6.052  22.840  1.00 58.03 43  A  1 
ATOM   326  C CE2   . PHE    A  1  43  ? 4.222   -8.238  22.214  1.00 56.28 43  A  1 
ATOM   327  C CZ    . PHE    A  1  43  ? 5.116   -7.423  22.877  1.00 55.57 43  A  1 
ATOM   328  N N     . SER    A  1  44  ? 4.029   -6.515  18.473  1.00 80.66 44  A  1 
ATOM   329  C CA    . SER    A  1  44  ? 4.661   -7.603  17.749  1.00 80.49 44  A  1 
ATOM   330  C C     . SER    A  1  44  ? 5.839   -8.122  18.549  1.00 81.05 44  A  1 
ATOM   331  O O     . SER    A  1  44  ? 6.625   -7.344  19.085  1.00 77.05 44  A  1 
ATOM   332  C CB    . SER    A  1  44  ? 5.126   -7.143  16.375  1.00 76.46 44  A  1 
ATOM   333  O OG    . SER    A  1  44  ? 5.743   -8.195  15.669  1.00 65.73 44  A  1 
ATOM   334  N N     . ALA    A  1  45  ? 5.944   -9.431  18.622  1.00 82.46 45  A  1 
ATOM   335  C CA    . ALA    A  1  45  ? 7.032   -10.034 19.370  1.00 82.09 45  A  1 
ATOM   336  C C     . ALA    A  1  45  ? 7.228   -11.479 18.950  1.00 83.42 45  A  1 
ATOM   337  O O     . ALA    A  1  45  ? 6.316   -12.120 18.428  1.00 80.19 45  A  1 
ATOM   338  C CB    . ALA    A  1  45  ? 6.764   -9.959  20.864  1.00 78.66 45  A  1 
ATOM   339  N N     . ASN    A  1  46  ? 8.417   -11.973 19.194  1.00 84.62 46  A  1 
ATOM   340  C CA    . ASN    A  1  46  ? 8.709   -13.369 18.917  1.00 84.24 46  A  1 
ATOM   341  C C     . ASN    A  1  46  ? 8.212   -14.230 20.067  1.00 84.37 46  A  1 
ATOM   342  O O     . ASN    A  1  46  ? 8.523   -13.966 21.230  1.00 80.86 46  A  1 
ATOM   343  C CB    . ASN    A  1  46  ? 10.204  -13.573 18.717  1.00 81.80 46  A  1 
ATOM   344  C CG    . ASN    A  1  46  ? 10.710  -12.912 17.454  1.00 78.09 46  A  1 
ATOM   345  O OD1   . ASN    A  1  46  ? 10.000  -12.825 16.453  1.00 68.61 46  A  1 
ATOM   346  N ND2   . ASN    A  1  46  ? 11.949  -12.441 17.488  1.00 69.81 46  A  1 
ATOM   347  N N     . VAL    A  1  47  ? 7.446   -15.244 19.726  1.00 84.98 47  A  1 
ATOM   348  C CA    . VAL    A  1  47  ? 6.876   -16.136 20.727  1.00 84.81 47  A  1 
ATOM   349  C C     . VAL    A  1  47  ? 7.227   -17.570 20.364  1.00 84.81 47  A  1 
ATOM   350  O O     . VAL    A  1  47  ? 7.094   -17.976 19.211  1.00 81.97 47  A  1 
ATOM   351  C CB    . VAL    A  1  47  ? 5.350   -15.977 20.819  1.00 83.00 47  A  1 
ATOM   352  C CG1   . VAL    A  1  47  ? 4.774   -16.927 21.857  1.00 73.67 47  A  1 
ATOM   353  C CG2   . VAL    A  1  47  ? 4.983   -14.539 21.149  1.00 74.69 47  A  1 
ATOM   354  N N     . ALA    A  1  48  ? 7.664   -18.315 21.356  1.00 84.09 48  A  1 
ATOM   355  C CA    . ALA    A  1  48  ? 8.011   -19.713 21.144  1.00 83.55 48  A  1 
ATOM   356  C C     . ALA    A  1  48  ? 6.852   -20.607 21.556  1.00 83.37 48  A  1 
ATOM   357  O O     . ALA    A  1  48  ? 6.399   -20.558 22.701  1.00 79.98 48  A  1 
ATOM   358  C CB    . ALA    A  1  48  ? 9.263   -20.075 21.932  1.00 81.23 48  A  1 
ATOM   359  N N     . VAL    A  1  49  ? 6.392   -21.413 20.619  1.00 82.23 49  A  1 
ATOM   360  C CA    . VAL    A  1  49  ? 5.302   -22.343 20.880  1.00 81.32 49  A  1 
ATOM   361  C C     . VAL    A  1  49  ? 5.647   -23.682 20.241  1.00 81.00 49  A  1 
ATOM   362  O O     . VAL    A  1  49  ? 5.881   -23.759 19.036  1.00 77.30 49  A  1 
ATOM   363  C CB    . VAL    A  1  49  ? 3.966   -21.825 20.326  1.00 78.66 49  A  1 
ATOM   364  C CG1   . VAL    A  1  49  ? 2.874   -22.861 20.528  1.00 69.84 49  A  1 
ATOM   365  C CG2   . VAL    A  1  49  ? 3.583   -20.516 20.992  1.00 71.06 49  A  1 
ATOM   366  N N     . ASP    A  1  50  ? 5.665   -24.712 21.062  1.00 79.93 50  A  1 
ATOM   367  C CA    . ASP    A  1  50  ? 5.968   -26.064 20.588  1.00 79.63 50  A  1 
ATOM   368  C C     . ASP    A  1  50  ? 7.290   -26.120 19.825  1.00 79.97 50  A  1 
ATOM   369  O O     . ASP    A  1  50  ? 7.412   -26.797 18.803  1.00 74.53 50  A  1 
ATOM   370  C CB    . ASP    A  1  50  ? 4.829   -26.600 19.719  1.00 76.57 50  A  1 
ATOM   371  C CG    . ASP    A  1  50  ? 3.550   -26.812 20.503  1.00 71.23 50  A  1 
ATOM   372  O OD1   . ASP    A  1  50  ? 3.620   -26.897 21.745  1.00 63.92 50  A  1 
ATOM   373  O OD2   . ASP    A  1  50  ? 2.477   -26.899 19.877  1.00 63.96 50  A  1 
ATOM   374  N N     . GLY    A  1  51  ? 8.261   -25.409 20.342  1.00 81.66 51  A  1 
ATOM   375  C CA    . GLY    A  1  51  ? 9.579   -25.427 19.730  1.00 80.78 51  A  1 
ATOM   376  C C     . GLY    A  1  51  ? 9.727   -24.573 18.488  1.00 81.71 51  A  1 
ATOM   377  O O     . GLY    A  1  51  ? 10.795  -24.564 17.877  1.00 77.44 51  A  1 
ATOM   378  N N     . GLN    A  1  52  ? 8.677   -23.878 18.118  1.00 82.88 52  A  1 
ATOM   379  C CA    . GLN    A  1  52  ? 8.729   -23.010 16.947  1.00 82.64 52  A  1 
ATOM   380  C C     . GLN    A  1  52  ? 8.623   -21.557 17.380  1.00 83.46 52  A  1 
ATOM   381  O O     . GLN    A  1  52  ? 7.762   -21.207 18.184  1.00 80.37 52  A  1 
ATOM   382  C CB    . GLN    A  1  52  ? 7.609   -23.339 15.967  1.00 79.50 52  A  1 
ATOM   383  C CG    . GLN    A  1  52  ? 7.684   -24.738 15.385  1.00 71.54 52  A  1 
ATOM   384  C CD    . GLN    A  1  52  ? 6.612   -24.987 14.344  1.00 68.28 52  A  1 
ATOM   385  O OE1   . GLN    A  1  52  ? 6.171   -24.070 13.653  1.00 61.75 52  A  1 
ATOM   386  N NE2   . GLN    A  1  52  ? 6.185   -26.237 14.220  1.00 59.38 52  A  1 
ATOM   387  N N     . ILE    A  1  53  ? 9.491   -20.745 16.835  1.00 84.85 53  A  1 
ATOM   388  C CA    . ILE    A  1  53  ? 9.468   -19.322 17.135  1.00 84.75 53  A  1 
ATOM   389  C C     . ILE    A  1  53  ? 8.723   -18.599 16.025  1.00 85.17 53  A  1 
ATOM   390  O O     . ILE    A  1  53  ? 9.098   -18.689 14.852  1.00 81.47 53  A  1 
ATOM   391  C CB    . ILE    A  1  53  ? 10.889  -18.756 17.281  1.00 82.12 53  A  1 
ATOM   392  C CG1   . ILE    A  1  53  ? 11.620  -19.458 18.429  1.00 72.16 53  A  1 
ATOM   393  C CG2   . ILE    A  1  53  ? 10.838  -17.253 17.513  1.00 69.24 53  A  1 
ATOM   394  C CD1   . ILE    A  1  53  ? 13.084  -19.092 18.546  1.00 62.86 53  A  1 
ATOM   395  N N     . VAL    A  1  54  ? 7.681   -17.896 16.408  1.00 85.34 54  A  1 
ATOM   396  C CA    . VAL    A  1  54  ? 6.891   -17.142 15.442  1.00 85.93 54  A  1 
ATOM   397  C C     . VAL    A  1  54  ? 6.843   -15.683 15.855  1.00 86.03 54  A  1 
ATOM   398  O O     . VAL    A  1  54  ? 6.950   -15.356 17.036  1.00 83.79 54  A  1 
ATOM   399  C CB    . VAL    A  1  54  ? 5.457   -17.685 15.322  1.00 84.43 54  A  1 
ATOM   400  C CG1   . VAL    A  1  54  ? 5.476   -19.147 14.920  1.00 74.57 54  A  1 
ATOM   401  C CG2   . VAL    A  1  54  ? 4.692   -17.496 16.620  1.00 75.54 54  A  1 
ATOM   402  N N     . ASN    A  1  55  ? 6.677   -14.834 14.872  1.00 88.33 55  A  1 
ATOM   403  C CA    . ASN    A  1  55  ? 6.511   -13.414 15.137  1.00 88.63 55  A  1 
ATOM   404  C C     . ASN    A  1  55  ? 5.015   -13.149 15.247  1.00 88.81 55  A  1 
ATOM   405  O O     . ASN    A  1  55  ? 4.300   -13.190 14.247  1.00 86.24 55  A  1 
ATOM   406  C CB    . ASN    A  1  55  ? 7.137   -12.589 14.019  1.00 86.32 55  A  1 
ATOM   407  C CG    . ASN    A  1  55  ? 7.229   -11.118 14.368  1.00 79.26 55  A  1 
ATOM   408  O OD1   . ASN    A  1  55  ? 6.402   -10.587 15.101  1.00 68.67 55  A  1 
ATOM   409  N ND2   . ASN    A  1  55  ? 8.241   -10.447 13.843  1.00 69.32 55  A  1 
ATOM   410  N N     . LEU    A  1  56  ? 4.569   -12.900 16.456  1.00 87.91 56  A  1 
ATOM   411  C CA    . LEU    A  1  56  ? 3.147   -12.720 16.709  1.00 88.68 56  A  1 
ATOM   412  C C     . LEU    A  1  56  ? 2.782   -11.245 16.743  1.00 88.42 56  A  1 
ATOM   413  O O     . LEU    A  1  56  ? 3.327   -10.482 17.540  1.00 85.69 56  A  1 
ATOM   414  C CB    . LEU    A  1  56  ? 2.758   -13.372 18.033  1.00 87.50 56  A  1 
ATOM   415  C CG    . LEU    A  1  56  ? 1.293   -13.228 18.453  1.00 86.45 56  A  1 
ATOM   416  C CD1   . LEU    A  1  56  ? 0.383   -13.953 17.485  1.00 79.30 56  A  1 
ATOM   417  C CD2   . LEU    A  1  56  ? 1.096   -13.758 19.866  1.00 79.94 56  A  1 
ATOM   418  N N     . GLY    A  1  57  ? 1.851   -10.870 15.881  1.00 90.61 57  A  1 
ATOM   419  C CA    . GLY    A  1  57  ? 1.328   -9.523  15.874  1.00 90.61 57  A  1 
ATOM   420  C C     . GLY    A  1  57  ? -0.046  -9.516  16.504  1.00 90.97 57  A  1 
ATOM   421  O O     . GLY    A  1  57  ? -0.878  -10.359 16.186  1.00 88.67 57  A  1 
ATOM   422  N N     . LEU    A  1  58  ? -0.270  -8.566  17.396  1.00 88.97 58  A  1 
ATOM   423  C CA    . LEU    A  1  58  ? -1.540  -8.477  18.103  1.00 88.73 58  A  1 
ATOM   424  C C     . LEU    A  1  58  ? -2.265  -7.188  17.750  1.00 88.27 58  A  1 
ATOM   425  O O     . LEU    A  1  58  ? -1.709  -6.101  17.904  1.00 84.85 58  A  1 
ATOM   426  C CB    . LEU    A  1  58  ? -1.317  -8.540  19.613  1.00 87.23 58  A  1 
ATOM   427  C CG    . LEU    A  1  58  ? -0.678  -9.817  20.150  1.00 85.54 58  A  1 
ATOM   428  C CD1   . LEU    A  1  58  ? -0.353  -9.667  21.626  1.00 79.69 58  A  1 
ATOM   429  C CD2   . LEU    A  1  58  ? -1.602  -11.005 19.933  1.00 80.80 58  A  1 
ATOM   430  N N     . TRP    A  1  59  ? -3.500  -7.332  17.312  1.00 90.03 59  A  1 
ATOM   431  C CA    . TRP    A  1  59  ? -4.340  -6.198  16.965  1.00 89.92 59  A  1 
ATOM   432  C C     . TRP    A  1  59  ? -5.552  -6.169  17.876  1.00 89.40 59  A  1 
ATOM   433  O O     . TRP    A  1  59  ? -6.223  -7.183  18.060  1.00 85.60 59  A  1 
ATOM   434  C CB    . TRP    A  1  59  ? -4.827  -6.296  15.519  1.00 88.60 59  A  1 
ATOM   435  C CG    . TRP    A  1  59  ? -3.872  -5.790  14.491  1.00 86.45 59  A  1 
ATOM   436  C CD1   . TRP    A  1  59  ? -3.980  -4.630  13.782  1.00 75.59 59  A  1 
ATOM   437  C CD2   . TRP    A  1  59  ? -2.676  -6.423  14.032  1.00 81.96 59  A  1 
ATOM   438  N NE1   . TRP    A  1  59  ? -2.928  -4.506  12.914  1.00 76.62 59  A  1 
ATOM   439  C CE2   . TRP    A  1  59  ? -2.109  -5.590  13.043  1.00 80.09 59  A  1 
ATOM   440  C CE3   . TRP    A  1  59  ? -2.020  -7.616  14.353  1.00 75.36 59  A  1 
ATOM   441  C CZ2   . TRP    A  1  59  ? -0.923  -5.912  12.381  1.00 78.74 59  A  1 
ATOM   442  C CZ3   . TRP    A  1  59  ? -0.838  -7.931  13.691  1.00 68.99 59  A  1 
ATOM   443  C CH2   . TRP    A  1  59  ? -0.309  -7.087  12.722  1.00 71.36 59  A  1 
ATOM   444  N N     . ASP    A  1  60  ? -5.828  -5.000  18.412  1.00 86.95 60  A  1 
ATOM   445  C CA    . ASP    A  1  60  ? -7.025  -4.799  19.202  1.00 86.43 60  A  1 
ATOM   446  C C     . ASP    A  1  60  ? -8.061  -4.095  18.336  1.00 86.21 60  A  1 
ATOM   447  O O     . ASP    A  1  60  ? -7.713  -3.430  17.365  1.00 82.01 60  A  1 
ATOM   448  C CB    . ASP    A  1  60  ? -6.710  -3.966  20.443  1.00 84.24 60  A  1 
ATOM   449  C CG    . ASP    A  1  60  ? -7.808  -4.025  21.491  1.00 82.73 60  A  1 
ATOM   450  O OD1   . ASP    A  1  60  ? -8.793  -4.764  21.291  1.00 76.61 60  A  1 
ATOM   451  O OD2   . ASP    A  1  60  ? -7.676  -3.336  22.523  1.00 77.42 60  A  1 
ATOM   452  N N     . THR    A  1  61  ? -9.324  -4.251  18.692  1.00 87.32 61  A  1 
ATOM   453  C CA    . THR    A  1  61  ? -10.396 -3.580  17.965  1.00 86.41 61  A  1 
ATOM   454  C C     . THR    A  1  61  ? -11.408 -3.041  18.961  1.00 85.26 61  A  1 
ATOM   455  O O     . THR    A  1  61  ? -11.465 -3.478  20.110  1.00 79.61 61  A  1 
ATOM   456  C CB    . THR    A  1  61  ? -11.119 -4.517  16.984  1.00 84.92 61  A  1 
ATOM   457  O OG1   . THR    A  1  61  ? -11.761 -5.569  17.711  1.00 75.01 61  A  1 
ATOM   458  C CG2   . THR    A  1  61  ? -10.157 -5.106  15.970  1.00 74.72 61  A  1 
ATOM   459  N N     . ALA    A  1  62  ? -12.207 -2.100  18.495  1.00 85.34 62  A  1 
ATOM   460  C CA    . ALA    A  1  62  ? -13.254 -1.534  19.329  1.00 84.33 62  A  1 
ATOM   461  C C     . ALA    A  1  62  ? -14.538 -2.320  19.133  1.00 84.31 62  A  1 
ATOM   462  O O     . ALA    A  1  62  ? -14.962 -2.550  18.001  1.00 79.11 62  A  1 
ATOM   463  C CB    . ALA    A  1  62  ? -13.472 -0.070  18.990  1.00 80.88 62  A  1 
ATOM   464  N N     . GLY    A  1  63  ? -15.140 -2.721  20.232  1.00 84.12 63  A  1 
ATOM   465  C CA    . GLY    A  1  63  ? -16.362 -3.499  20.155  1.00 83.80 63  A  1 
ATOM   466  C C     . GLY    A  1  63  ? -17.615 -2.675  19.954  1.00 84.55 63  A  1 
ATOM   467  O O     . GLY    A  1  63  ? -18.672 -3.224  19.645  1.00 80.04 63  A  1 
ATOM   468  N N     . GLN    A  1  64  ? -17.509 -1.380  20.132  1.00 84.50 64  A  1 
ATOM   469  C CA    . GLN    A  1  64  ? -18.666 -0.501  20.007  1.00 84.23 64  A  1 
ATOM   470  C C     . GLN    A  1  64  ? -19.175 -0.445  18.576  1.00 84.93 64  A  1 
ATOM   471  O O     . GLN    A  1  64  ? -18.409 -0.530  17.619  1.00 81.16 64  A  1 
ATOM   472  C CB    . GLN    A  1  64  ? -18.328 0.907   20.483  1.00 81.58 64  A  1 
ATOM   473  C CG    . GLN    A  1  64  ? -18.116 1.045   21.987  1.00 74.86 64  A  1 
ATOM   474  C CD    . GLN    A  1  64  ? -16.782 0.499   22.454  1.00 71.44 64  A  1 
ATOM   475  O OE1   . GLN    A  1  64  ? -15.896 0.203   21.651  1.00 64.71 64  A  1 
ATOM   476  N NE2   . GLN    A  1  64  ? -16.628 0.362   23.763  1.00 61.65 64  A  1 
ATOM   477  N N     . GLU    A  1  65  ? -20.479 -0.273  18.458  1.00 83.76 65  A  1 
ATOM   478  C CA    . GLU    A  1  65  ? -21.120 -0.222  17.153  1.00 83.19 65  A  1 
ATOM   479  C C     . GLU    A  1  65  ? -20.647 0.966   16.325  1.00 83.73 65  A  1 
ATOM   480  O O     . GLU    A  1  65  ? -20.677 0.920   15.098  1.00 79.32 65  A  1 
ATOM   481  C CB    . GLU    A  1  65  ? -22.638 -0.169  17.322  1.00 80.57 65  A  1 
ATOM   482  C CG    . GLU    A  1  65  ? -23.421 -0.462  16.056  1.00 71.07 65  A  1 
ATOM   483  C CD    . GLU    A  1  65  ? -23.264 -1.902  15.599  1.00 64.33 65  A  1 
ATOM   484  O OE1   . GLU    A  1  65  ? -22.880 -2.759  16.422  1.00 58.56 65  A  1 
ATOM   485  O OE2   . GLU    A  1  65  ? -23.528 -2.174  14.413  1.00 57.11 65  A  1 
ATOM   486  N N     . ASP    A  1  66  ? -20.206 2.014   17.007  1.00 83.48 66  A  1 
ATOM   487  C CA    . ASP    A  1  66  ? -19.770 3.223   16.311  1.00 83.01 66  A  1 
ATOM   488  C C     . ASP    A  1  66  ? -18.563 2.980   15.411  1.00 83.63 66  A  1 
ATOM   489  O O     . ASP    A  1  66  ? -18.318 3.753   14.488  1.00 80.27 66  A  1 
ATOM   490  C CB    . ASP    A  1  66  ? -19.434 4.320   17.322  1.00 80.37 66  A  1 
ATOM   491  C CG    . ASP    A  1  66  ? -20.658 4.817   18.069  1.00 74.19 66  A  1 
ATOM   492  O OD1   . ASP    A  1  66  ? -21.768 4.752   17.508  1.00 66.76 66  A  1 
ATOM   493  O OD2   . ASP    A  1  66  ? -20.503 5.272   19.217  1.00 66.74 66  A  1 
ATOM   494  N N     . TYR    A  1  67  ? -17.821 1.928   15.680  1.00 83.46 67  A  1 
ATOM   495  C CA    . TYR    A  1  67  ? -16.618 1.635   14.911  1.00 83.40 67  A  1 
ATOM   496  C C     . TYR    A  1  67  ? -16.796 0.452   13.968  1.00 84.20 67  A  1 
ATOM   497  O O     . TYR    A  1  67  ? -15.811 -0.075  13.445  1.00 80.08 67  A  1 
ATOM   498  C CB    . TYR    A  1  67  ? -15.450 1.374   15.860  1.00 80.28 67  A  1 
ATOM   499  C CG    . TYR    A  1  67  ? -15.170 2.536   16.782  1.00 76.91 67  A  1 
ATOM   500  C CD1   . TYR    A  1  67  ? -14.506 3.659   16.321  1.00 71.08 67  A  1 
ATOM   501  C CD2   . TYR    A  1  67  ? -15.585 2.512   18.102  1.00 70.37 67  A  1 
ATOM   502  C CE1   . TYR    A  1  67  ? -14.256 4.733   17.155  1.00 68.06 67  A  1 
ATOM   503  C CE2   . TYR    A  1  67  ? -15.340 3.586   18.945  1.00 66.74 67  A  1 
ATOM   504  C CZ    . TYR    A  1  67  ? -14.672 4.689   18.462  1.00 68.34 67  A  1 
ATOM   505  O OH    . TYR    A  1  67  ? -14.422 5.754   19.294  1.00 65.17 67  A  1 
ATOM   506  N N     . SER    A  1  68  ? -18.031 0.059   13.755  1.00 86.76 68  A  1 
ATOM   507  C CA    . SER    A  1  68  ? -18.293 -1.103  12.919  1.00 86.23 68  A  1 
ATOM   508  C C     . SER    A  1  68  ? -17.815 -0.915  11.483  1.00 86.66 68  A  1 
ATOM   509  O O     . SER    A  1  68  ? -17.499 -1.893  10.807  1.00 83.07 68  A  1 
ATOM   510  C CB    . SER    A  1  68  ? -19.785 -1.428  12.921  1.00 84.23 68  A  1 
ATOM   511  O OG    . SER    A  1  68  ? -20.537 -0.363  12.386  1.00 73.13 68  A  1 
ATOM   512  N N     . ARG    A  1  69  ? -17.754 0.317   11.038  1.00 86.76 69  A  1 
ATOM   513  C CA    . ARG    A  1  69  ? -17.324 0.569   9.670   1.00 86.73 69  A  1 
ATOM   514  C C     . ARG    A  1  69  ? -15.810 0.714   9.540   1.00 87.24 69  A  1 
ATOM   515  O O     . ARG    A  1  69  ? -15.277 0.617   8.436   1.00 83.58 69  A  1 
ATOM   516  C CB    . ARG    A  1  69  ? -18.019 1.811   9.118   1.00 84.95 69  A  1 
ATOM   517  C CG    . ARG    A  1  69  ? -19.529 1.671   9.052   1.00 78.10 69  A  1 
ATOM   518  C CD    . ARG    A  1  69  ? -20.160 2.809   8.284   1.00 75.52 69  A  1 
ATOM   519  N NE    . ARG    A  1  69  ? -19.777 2.784   6.879   1.00 66.26 69  A  1 
ATOM   520  C CZ    . ARG    A  1  69  ? -20.130 3.707   5.988   1.00 60.51 69  A  1 
ATOM   521  N NH1   . ARG    A  1  69  ? -20.882 4.734   6.352   1.00 53.94 69  A  1 
ATOM   522  N NH2   . ARG    A  1  69  ? -19.725 3.604   4.734   1.00 53.37 69  A  1 
ATOM   523  N N     . LEU    A  1  70  ? -15.140 0.923   10.656  1.00 85.87 70  A  1 
ATOM   524  C CA    . LEU    A  1  70  ? -13.685 1.048   10.643  1.00 85.75 70  A  1 
ATOM   525  C C     . LEU    A  1  70  ? -13.000 -0.243  11.064  1.00 85.92 70  A  1 
ATOM   526  O O     . LEU    A  1  70  ? -11.906 -0.556  10.590  1.00 82.35 70  A  1 
ATOM   527  C CB    . LEU    A  1  70  ? -13.236 2.174   11.571  1.00 83.38 70  A  1 
ATOM   528  C CG    . LEU    A  1  70  ? -13.650 3.592   11.187  1.00 77.93 70  A  1 
ATOM   529  C CD1   . LEU    A  1  70  ? -13.254 4.565   12.278  1.00 71.76 70  A  1 
ATOM   530  C CD2   . LEU    A  1  70  ? -13.017 3.992   9.861   1.00 71.15 70  A  1 
ATOM   531  N N     . ARG    A  1  71  ? -13.634 -0.957  11.945  1.00 85.74 71  A  1 
ATOM   532  C CA    . ARG    A  1  71  ? -13.082 -2.187  12.507  1.00 85.69 71  A  1 
ATOM   533  C C     . ARG    A  1  71  ? -12.586 -3.187  11.451  1.00 85.98 71  A  1 
ATOM   534  O O     . ARG    A  1  71  ? -11.501 -3.749  11.610  1.00 83.35 71  A  1 
ATOM   535  C CB    . ARG    A  1  71  ? -14.135 -2.838  13.399  1.00 83.47 71  A  1 
ATOM   536  C CG    . ARG    A  1  71  ? -13.629 -3.984  14.230  1.00 77.51 71  A  1 
ATOM   537  C CD    . ARG    A  1  71  ? -14.769 -4.642  14.988  1.00 78.71 71  A  1 
ATOM   538  N NE    . ARG    A  1  71  ? -15.530 -3.658  15.762  1.00 76.95 71  A  1 
ATOM   539  C CZ    . ARG    A  1  71  ? -16.819 -3.369  15.584  1.00 78.37 71  A  1 
ATOM   540  N NH1   . ARG    A  1  71  ? -17.533 -3.986  14.647  1.00 68.86 71  A  1 
ATOM   541  N NH2   . ARG    A  1  71  ? -17.402 -2.454  16.344  1.00 72.20 71  A  1 
ATOM   542  N N     . PRO    A  1  72  ? -13.352 -3.414  10.392  1.00 87.52 72  A  1 
ATOM   543  C CA    . PRO    A  1  72  ? -12.885 -4.398  9.399   1.00 87.76 72  A  1 
ATOM   544  C C     . PRO    A  1  72  ? -11.557 -4.055  8.739   1.00 88.21 72  A  1 
ATOM   545  O O     . PRO    A  1  72  ? -10.919 -4.937  8.162   1.00 85.30 72  A  1 
ATOM   546  C CB    . PRO    A  1  72  ? -14.009 -4.413  8.365   1.00 85.76 72  A  1 
ATOM   547  C CG    . PRO    A  1  72  ? -15.204 -3.981  9.118   1.00 83.54 72  A  1 
ATOM   548  C CD    . PRO    A  1  72  ? -14.713 -2.974  10.107  1.00 86.50 72  A  1 
ATOM   549  N N     . LEU    A  1  73  ? -11.135 -2.825  8.842   1.00 87.59 73  A  1 
ATOM   550  C CA    . LEU    A  1  73  ? -9.846  -2.455  8.273   1.00 87.22 73  A  1 
ATOM   551  C C     . LEU    A  1  73  ? -8.706  -3.192  8.968   1.00 87.32 73  A  1 
ATOM   552  O O     . LEU    A  1  73  ? -7.646  -3.393  8.380   1.00 84.29 73  A  1 
ATOM   553  C CB    . LEU    A  1  73  ? -9.627  -0.948  8.378   1.00 85.99 73  A  1 
ATOM   554  C CG    . LEU    A  1  73  ? -10.588 -0.070  7.576   1.00 82.85 73  A  1 
ATOM   555  C CD1   . LEU    A  1  73  ? -10.364 1.390   7.902   1.00 76.01 73  A  1 
ATOM   556  C CD2   . LEU    A  1  73  ? -10.419 -0.316  6.088   1.00 75.79 73  A  1 
ATOM   557  N N     . SER    A  1  74  ? -8.937  -3.580  10.205  1.00 87.20 74  A  1 
ATOM   558  C CA    . SER    A  1  74  ? -7.927  -4.328  10.942  1.00 86.63 74  A  1 
ATOM   559  C C     . SER    A  1  74  ? -7.903  -5.802  10.556  1.00 87.26 74  A  1 
ATOM   560  O O     . SER    A  1  74  ? -6.991  -6.522  10.960  1.00 84.60 74  A  1 
ATOM   561  C CB    . SER    A  1  74  ? -8.162  -4.208  12.446  1.00 84.59 74  A  1 
ATOM   562  O OG    . SER    A  1  74  ? -8.028  -2.865  12.877  1.00 75.54 74  A  1 
ATOM   563  N N     . TYR    A  1  75  ? -8.874  -6.236  9.794   1.00 87.34 75  A  1 
ATOM   564  C CA    . TYR    A  1  75  ? -8.972  -7.649  9.442   1.00 87.62 75  A  1 
ATOM   565  C C     . TYR    A  1  75  ? -8.072  -8.037  8.273   1.00 87.48 75  A  1 
ATOM   566  O O     . TYR    A  1  75  ? -7.894  -9.226  8.008   1.00 83.14 75  A  1 
ATOM   567  C CB    . TYR    A  1  75  ? -10.415 -8.017  9.088   1.00 86.35 75  A  1 
ATOM   568  C CG    . TYR    A  1  75  ? -11.425 -7.809  10.198  1.00 86.29 75  A  1 
ATOM   569  C CD1   . TYR    A  1  75  ? -11.033 -7.540  11.498  1.00 79.98 75  A  1 
ATOM   570  C CD2   . TYR    A  1  75  ? -12.787 -7.899  9.933   1.00 80.83 75  A  1 
ATOM   571  C CE1   . TYR    A  1  75  ? -11.962 -7.348  12.508  1.00 79.75 75  A  1 
ATOM   572  C CE2   . TYR    A  1  75  ? -13.723 -7.716  10.929  1.00 79.75 75  A  1 
ATOM   573  C CZ    . TYR    A  1  75  ? -13.309 -7.435  12.216  1.00 82.79 75  A  1 
ATOM   574  O OH    . TYR    A  1  75  ? -14.237 -7.244  13.213  1.00 81.36 75  A  1 
ATOM   575  N N     . ARG    A  1  76  ? -7.538  -7.058  7.595   1.00 88.70 76  A  1 
ATOM   576  C CA    . ARG    A  1  76  ? -6.710  -7.353  6.435   1.00 88.16 76  A  1 
ATOM   577  C C     . ARG    A  1  76  ? -5.469  -8.136  6.846   1.00 88.31 76  A  1 
ATOM   578  O O     . ARG    A  1  76  ? -4.733  -7.736  7.746   1.00 84.97 76  A  1 
ATOM   579  C CB    . ARG    A  1  76  ? -6.287  -6.068  5.727   1.00 86.45 76  A  1 
ATOM   580  C CG    . ARG    A  1  76  ? -7.433  -5.322  5.073   1.00 77.39 76  A  1 
ATOM   581  C CD    . ARG    A  1  76  ? -6.932  -4.123  4.300   1.00 74.43 76  A  1 
ATOM   582  N NE    . ARG    A  1  76  ? -8.038  -3.320  3.766   1.00 65.54 76  A  1 
ATOM   583  C CZ    . ARG    A  1  76  ? -8.715  -3.621  2.666   1.00 58.99 76  A  1 
ATOM   584  N NH1   . ARG    A  1  76  ? -8.403  -4.694  1.951   1.00 52.30 76  A  1 
ATOM   585  N NH2   . ARG    A  1  76  ? -9.705  -2.838  2.266   1.00 52.10 76  A  1 
ATOM   586  N N     . GLY    A  1  77  ? -5.258  -9.234  6.176   1.00 88.08 77  A  1 
ATOM   587  C CA    . GLY    A  1  77  ? -4.092  -10.052 6.445   1.00 88.39 77  A  1 
ATOM   588  C C     . GLY    A  1  77  ? -4.147  -10.835 7.738   1.00 89.66 77  A  1 
ATOM   589  O O     . GLY    A  1  77  ? -3.139  -11.411 8.145   1.00 86.56 77  A  1 
ATOM   590  N N     . ALA    A  1  78  ? -5.298  -10.852 8.381   1.00 88.49 78  A  1 
ATOM   591  C CA    . ALA    A  1  78  ? -5.412  -11.583 9.638   1.00 89.11 78  A  1 
ATOM   592  C C     . ALA    A  1  78  ? -5.199  -13.076 9.414   1.00 89.11 78  A  1 
ATOM   593  O O     . ALA    A  1  78  ? -5.740  -13.653 8.470   1.00 86.21 78  A  1 
ATOM   594  C CB    . ALA    A  1  78  ? -6.773  -11.341 10.276  1.00 88.22 78  A  1 
ATOM   595  N N     . ASP    A  1  79  ? -4.406  -13.676 10.280  1.00 90.08 79  A  1 
ATOM   596  C CA    . ASP    A  1  79  ? -4.181  -15.114 10.225  1.00 89.95 79  A  1 
ATOM   597  C C     . ASP    A  1  79  ? -5.116  -15.853 11.166  1.00 90.48 79  A  1 
ATOM   598  O O     . ASP    A  1  79  ? -5.416  -17.026 10.945  1.00 87.98 79  A  1 
ATOM   599  C CB    . ASP    A  1  79  ? -2.732  -15.432 10.583  1.00 88.28 79  A  1 
ATOM   600  C CG    . ASP    A  1  79  ? -1.756  -14.902 9.554   1.00 86.73 79  A  1 
ATOM   601  O OD1   . ASP    A  1  79  ? -1.946  -15.190 8.356   1.00 78.92 79  A  1 
ATOM   602  O OD2   . ASP    A  1  79  ? -0.805  -14.197 9.940   1.00 78.66 79  A  1 
ATOM   603  N N     . ILE    A  1  80  ? -5.552  -15.172 12.199  1.00 90.67 80  A  1 
ATOM   604  C CA    . ILE    A  1  80  ? -6.471  -15.779 13.149  1.00 91.62 80  A  1 
ATOM   605  C C     . ILE    A  1  80  ? -7.192  -14.694 13.935  1.00 91.52 80  A  1 
ATOM   606  O O     . ILE    A  1  80  ? -6.641  -13.622 14.190  1.00 89.20 80  A  1 
ATOM   607  C CB    . ILE    A  1  80  ? -5.726  -16.736 14.101  1.00 90.70 80  A  1 
ATOM   608  C CG1   . ILE    A  1  80  ? -6.722  -17.545 14.936  1.00 82.49 80  A  1 
ATOM   609  C CG2   . ILE    A  1  80  ? -4.758  -15.972 14.997  1.00 82.72 80  A  1 
ATOM   610  C CD1   . ILE    A  1  80  ? -6.139  -18.802 15.518  1.00 79.64 80  A  1 
ATOM   611  N N     . PHE    A  1  81  ? -8.425  -14.993 14.300  1.00 91.33 81  A  1 
ATOM   612  C CA    . PHE    A  1  81  ? -9.213  -14.099 15.137  1.00 91.68 81  A  1 
ATOM   613  C C     . PHE    A  1  81  ? -9.342  -14.675 16.536  1.00 91.91 81  A  1 
ATOM   614  O O     . PHE    A  1  81  ? -9.552  -15.876 16.707  1.00 90.12 81  A  1 
ATOM   615  C CB    . PHE    A  1  81  ? -10.616 -13.901 14.569  1.00 90.97 81  A  1 
ATOM   616  C CG    . PHE    A  1  81  ? -10.662 -13.056 13.330  1.00 90.21 81  A  1 
ATOM   617  C CD1   . PHE    A  1  81  ? -10.413 -11.698 13.397  1.00 84.92 81  A  1 
ATOM   618  C CD2   . PHE    A  1  81  ? -10.976 -13.618 12.106  1.00 84.38 81  A  1 
ATOM   619  C CE1   . PHE    A  1  81  ? -10.465 -10.913 12.259  1.00 83.32 81  A  1 
ATOM   620  C CE2   . PHE    A  1  81  ? -11.029 -12.839 10.965  1.00 82.64 81  A  1 
ATOM   621  C CZ    . PHE    A  1  81  ? -10.774 -11.484 11.041  1.00 86.03 81  A  1 
ATOM   622  N N     . VAL    A  1  82  ? -9.239  -13.797 17.513  1.00 91.08 82  A  1 
ATOM   623  C CA    . VAL    A  1  82  ? -9.582  -14.146 18.885  1.00 91.41 82  A  1 
ATOM   624  C C     . VAL    A  1  82  ? -10.915 -13.463 19.143  1.00 91.13 82  A  1 
ATOM   625  O O     . VAL    A  1  82  ? -10.977 -12.242 19.308  1.00 88.95 82  A  1 
ATOM   626  C CB    . VAL    A  1  82  ? -8.507  -13.680 19.883  1.00 90.39 82  A  1 
ATOM   627  C CG1   . VAL    A  1  82  ? -9.017  -13.798 21.312  1.00 82.65 82  A  1 
ATOM   628  C CG2   . VAL    A  1  82  ? -7.244  -14.508 19.709  1.00 83.00 82  A  1 
ATOM   629  N N     . LEU    A  1  83  ? -11.961 -14.259 19.144  1.00 91.41 83  A  1 
ATOM   630  C CA    . LEU    A  1  83  ? -13.310 -13.737 19.310  1.00 91.89 83  A  1 
ATOM   631  C C     . LEU    A  1  83  ? -13.707 -13.869 20.773  1.00 92.04 83  A  1 
ATOM   632  O O     . LEU    A  1  83  ? -13.876 -14.978 21.284  1.00 89.75 83  A  1 
ATOM   633  C CB    . LEU    A  1  83  ? -14.274 -14.496 18.401  1.00 90.32 83  A  1 
ATOM   634  C CG    . LEU    A  1  83  ? -15.760 -14.154 18.466  1.00 88.28 83  A  1 
ATOM   635  C CD1   . LEU    A  1  83  ? -16.001 -12.661 18.366  1.00 79.70 83  A  1 
ATOM   636  C CD2   . LEU    A  1  83  ? -16.493 -14.886 17.346  1.00 80.70 83  A  1 
ATOM   637  N N     . ALA    A  1  84  ? -13.851 -12.742 21.426  1.00 91.86 84  A  1 
ATOM   638  C CA    . ALA    A  1  84  ? -14.077 -12.728 22.862  1.00 92.28 84  A  1 
ATOM   639  C C     . ALA    A  1  84  ? -15.499 -12.345 23.239  1.00 91.88 84  A  1 
ATOM   640  O O     . ALA    A  1  84  ? -16.121 -11.499 22.595  1.00 88.51 84  A  1 
ATOM   641  C CB    . ALA    A  1  84  ? -13.096 -11.775 23.534  1.00 90.75 84  A  1 
ATOM   642  N N     . PHE    A  1  85  ? -15.973 -12.972 24.285  1.00 91.53 85  A  1 
ATOM   643  C CA    . PHE    A  1  85  ? -17.229 -12.602 24.914  1.00 91.64 85  A  1 
ATOM   644  C C     . PHE    A  1  85  ? -17.019 -12.720 26.416  1.00 91.41 85  A  1 
ATOM   645  O O     . PHE    A  1  85  ? -16.124 -13.434 26.874  1.00 89.21 85  A  1 
ATOM   646  C CB    . PHE    A  1  85  ? -18.386 -13.497 24.452  1.00 90.91 85  A  1 
ATOM   647  C CG    . PHE    A  1  85  ? -18.310 -14.911 24.958  1.00 91.28 85  A  1 
ATOM   648  C CD1   . PHE    A  1  85  ? -17.635 -15.880 24.235  1.00 84.90 85  A  1 
ATOM   649  C CD2   . PHE    A  1  85  ? -18.919 -15.271 26.149  1.00 84.88 85  A  1 
ATOM   650  C CE1   . PHE    A  1  85  ? -17.561 -17.182 24.697  1.00 84.98 85  A  1 
ATOM   651  C CE2   . PHE    A  1  85  ? -18.848 -16.571 26.618  1.00 84.52 85  A  1 
ATOM   652  C CZ    . PHE    A  1  85  ? -18.167 -17.529 25.891  1.00 87.91 85  A  1 
ATOM   653  N N     . SER    A  1  86  ? -17.848 -12.028 27.172  1.00 92.15 86  A  1 
ATOM   654  C CA    . SER    A  1  86  ? -17.719 -12.075 28.623  1.00 91.71 86  A  1 
ATOM   655  C C     . SER    A  1  86  ? -18.575 -13.193 29.198  1.00 91.54 86  A  1 
ATOM   656  O O     . SER    A  1  86  ? -19.749 -13.327 28.857  1.00 89.25 86  A  1 
ATOM   657  C CB    . SER    A  1  86  ? -18.125 -10.742 29.239  1.00 90.10 86  A  1 
ATOM   658  O OG    . SER    A  1  86  ? -18.135 -10.823 30.649  1.00 79.94 86  A  1 
ATOM   659  N N     . LEU    A  1  87  ? -17.983 -13.967 30.075  1.00 90.80 87  A  1 
ATOM   660  C CA    . LEU    A  1  87  ? -18.698 -15.069 30.709  1.00 90.83 87  A  1 
ATOM   661  C C     . LEU    A  1  87  ? -19.823 -14.586 31.617  1.00 90.04 87  A  1 
ATOM   662  O O     . LEU    A  1  87  ? -20.657 -15.388 32.032  1.00 87.24 87  A  1 
ATOM   663  C CB    . LEU    A  1  87  ? -17.721 -15.932 31.505  1.00 90.32 87  A  1 
ATOM   664  C CG    . LEU    A  1  87  ? -16.704 -16.709 30.668  1.00 89.60 87  A  1 
ATOM   665  C CD1   . LEU    A  1  87  ? -15.585 -17.253 31.544  1.00 84.55 87  A  1 
ATOM   666  C CD2   . LEU    A  1  87  ? -17.387 -17.845 29.921  1.00 85.06 87  A  1 
ATOM   667  N N     . ILE    A  1  88  ? -19.843 -13.313 31.913  1.00 89.96 88  A  1 
ATOM   668  C CA    . ILE    A  1  88  ? -20.901 -12.750 32.744  1.00 89.23 88  A  1 
ATOM   669  C C     . ILE    A  1  88  ? -21.846 -11.866 31.940  1.00 89.09 88  A  1 
ATOM   670  O O     . ILE    A  1  88  ? -22.666 -11.150 32.521  1.00 85.28 88  A  1 
ATOM   671  C CB    . ILE    A  1  88  ? -20.318 -11.948 33.926  1.00 87.30 88  A  1 
ATOM   672  C CG1   . ILE    A  1  88  ? -19.557 -10.726 33.418  1.00 78.23 88  A  1 
ATOM   673  C CG2   . ILE    A  1  88  ? -19.431 -12.835 34.779  1.00 74.97 88  A  1 
ATOM   674  C CD1   . ILE    A  1  88  ? -19.260 -9.696  34.487  1.00 70.91 88  A  1 
ATOM   675  N N     . SER    A  1  89  ? -21.733 -11.916 30.629  1.00 89.69 89  A  1 
ATOM   676  C CA    . SER    A  1  89  ? -22.585 -11.106 29.771  1.00 89.46 89  A  1 
ATOM   677  C C     . SER    A  1  89  ? -23.259 -11.984 28.728  1.00 89.88 89  A  1 
ATOM   678  O O     . SER    A  1  89  ? -22.637 -12.387 27.747  1.00 88.09 89  A  1 
ATOM   679  C CB    . SER    A  1  89  ? -21.785 -10.004 29.093  1.00 87.95 89  A  1 
ATOM   680  O OG    . SER    A  1  89  ? -22.589 -9.282  28.180  1.00 81.42 89  A  1 
ATOM   681  N N     . LYS    A  1  90  ? -24.533 -12.252 28.948  1.00 90.01 90  A  1 
ATOM   682  C CA    . LYS    A  1  90  ? -25.302 -13.055 28.008  1.00 90.30 90  A  1 
ATOM   683  C C     . LYS    A  1  90  ? -25.374 -12.371 26.648  1.00 91.07 90  A  1 
ATOM   684  O O     . LYS    A  1  90  ? -25.353 -13.031 25.610  1.00 89.09 90  A  1 
ATOM   685  C CB    . LYS    A  1  90  ? -26.706 -13.285 28.564  1.00 88.85 90  A  1 
ATOM   686  C CG    . LYS    A  1  90  ? -27.613 -14.131 27.687  1.00 80.39 90  A  1 
ATOM   687  C CD    . LYS    A  1  90  ? -27.168 -15.577 27.646  1.00 74.05 90  A  1 
ATOM   688  C CE    . LYS    A  1  90  ? -28.184 -16.425 26.904  1.00 65.67 90  A  1 
ATOM   689  N NZ    . LYS    A  1  90  ? -27.781 -17.850 26.831  1.00 57.21 90  A  1 
ATOM   690  N N     . ALA    A  1  91  ? -25.460 -11.058 26.659  1.00 90.81 91  A  1 
ATOM   691  C CA    . ALA    A  1  91  ? -25.542 -10.307 25.411  1.00 90.62 91  A  1 
ATOM   692  C C     . ALA    A  1  91  ? -24.292 -10.494 24.563  1.00 91.11 91  A  1 
ATOM   693  O O     . ALA    A  1  91  ? -24.382 -10.678 23.348  1.00 88.64 91  A  1 
ATOM   694  C CB    . ALA    A  1  91  ? -25.766 -8.829  25.702  1.00 88.95 91  A  1 
ATOM   695  N N     . SER    A  1  92  ? -23.136 -10.444 25.198  1.00 90.72 92  A  1 
ATOM   696  C CA    . SER    A  1  92  ? -21.893 -10.623 24.455  1.00 90.46 92  A  1 
ATOM   697  C C     . SER    A  1  92  ? -21.799 -12.035 23.889  1.00 90.87 92  A  1 
ATOM   698  O O     . SER    A  1  92  ? -21.264 -12.238 22.798  1.00 88.16 92  A  1 
ATOM   699  C CB    . SER    A  1  92  ? -20.686 -10.321 25.346  1.00 89.12 92  A  1 
ATOM   700  O OG    . SER    A  1  92  ? -20.540 -11.283 26.367  1.00 81.90 92  A  1 
ATOM   701  N N     . TYR    A  1  93  ? -22.311 -12.990 24.634  1.00 90.37 93  A  1 
ATOM   702  C CA    . TYR    A  1  93  ? -22.332 -14.376 24.179  1.00 91.50 93  A  1 
ATOM   703  C C     . TYR    A  1  93  ? -23.218 -14.527 22.944  1.00 91.71 93  A  1 
ATOM   704  O O     . TYR    A  1  93  ? -22.828 -15.161 21.962  1.00 89.84 93  A  1 
ATOM   705  C CB    . TYR    A  1  93  ? -22.828 -15.273 25.314  1.00 91.22 93  A  1 
ATOM   706  C CG    . TYR    A  1  93  ? -23.019 -16.724 24.942  1.00 91.48 93  A  1 
ATOM   707  C CD1   . TYR    A  1  93  ? -21.958 -17.618 25.003  1.00 85.27 93  A  1 
ATOM   708  C CD2   . TYR    A  1  93  ? -24.260 -17.203 24.555  1.00 86.13 93  A  1 
ATOM   709  C CE1   . TYR    A  1  93  ? -22.129 -18.952 24.681  1.00 85.32 93  A  1 
ATOM   710  C CE2   . TYR    A  1  93  ? -24.440 -18.536 24.225  1.00 85.02 93  A  1 
ATOM   711  C CZ    . TYR    A  1  93  ? -23.373 -19.405 24.288  1.00 88.64 93  A  1 
ATOM   712  O OH    . TYR    A  1  93  ? -23.548 -20.726 23.960  1.00 87.35 93  A  1 
ATOM   713  N N     . GLU    A  1  94  ? -24.392 -13.943 23.007  1.00 92.11 94  A  1 
ATOM   714  C CA    . GLU    A  1  94  ? -25.322 -14.041 21.885  1.00 92.02 94  A  1 
ATOM   715  C C     . GLU    A  1  94  ? -24.825 -13.284 20.660  1.00 91.94 94  A  1 
ATOM   716  O O     . GLU    A  1  94  ? -25.081 -13.693 19.527  1.00 89.52 94  A  1 
ATOM   717  C CB    . GLU    A  1  94  ? -26.697 -13.527 22.306  1.00 90.65 94  A  1 
ATOM   718  C CG    . GLU    A  1  94  ? -27.377 -14.389 23.356  1.00 85.72 94  A  1 
ATOM   719  C CD    . GLU    A  1  94  ? -28.693 -13.807 23.837  1.00 81.47 94  A  1 
ATOM   720  O OE1   . GLU    A  1  94  ? -28.994 -12.650 23.480  1.00 74.31 94  A  1 
ATOM   721  O OE2   . GLU    A  1  94  ? -29.418 -14.504 24.571  1.00 73.67 94  A  1 
ATOM   722  N N     . ASN    A  1  95  ? -24.125 -12.200 20.889  1.00 90.90 95  A  1 
ATOM   723  C CA    . ASN    A  1  95  ? -23.630 -11.403 19.772  1.00 90.62 95  A  1 
ATOM   724  C C     . ASN    A  1  95  ? -22.511 -12.095 19.004  1.00 90.84 95  A  1 
ATOM   725  O O     . ASN    A  1  95  ? -22.189 -11.675 17.894  1.00 88.23 95  A  1 
ATOM   726  C CB    . ASN    A  1  95  ? -23.160 -10.032 20.256  1.00 89.37 95  A  1 
ATOM   727  C CG    . ASN    A  1  95  ? -24.311 -9.070  20.474  1.00 87.60 95  A  1 
ATOM   728  O OD1   . ASN    A  1  95  ? -25.365 -9.202  19.857  1.00 78.43 95  A  1 
ATOM   729  N ND2   . ASN    A  1  95  ? -24.114 -8.092  21.344  1.00 78.26 95  A  1 
ATOM   730  N N     . VAL    A  1  96  ? -21.929 -13.118 19.578  1.00 90.97 96  A  1 
ATOM   731  C CA    . VAL    A  1  96  ? -20.912 -13.871 18.849  1.00 90.90 96  A  1 
ATOM   732  C C     . VAL    A  1  96  ? -21.514 -14.406 17.554  1.00 91.03 96  A  1 
ATOM   733  O O     . VAL    A  1  96  ? -20.920 -14.291 16.478  1.00 89.02 96  A  1 
ATOM   734  C CB    . VAL    A  1  96  ? -20.363 -15.022 19.700  1.00 90.16 96  A  1 
ATOM   735  C CG1   . VAL    A  1  96  ? -19.525 -15.965 18.850  1.00 81.16 96  A  1 
ATOM   736  C CG2   . VAL    A  1  96  ? -19.538 -14.479 20.853  1.00 82.42 96  A  1 
ATOM   737  N N     . LEU    A  1  97  ? -22.702 -14.970 17.667  1.00 91.44 97  A  1 
ATOM   738  C CA    . LEU    A  1  97  ? -23.364 -15.543 16.505  1.00 91.54 97  A  1 
ATOM   739  C C     . LEU    A  1  97  ? -24.139 -14.498 15.712  1.00 91.66 97  A  1 
ATOM   740  O O     . LEU    A  1  97  ? -24.155 -14.537 14.480  1.00 89.02 97  A  1 
ATOM   741  C CB    . LEU    A  1  97  ? -24.303 -16.660 16.947  1.00 89.53 97  A  1 
ATOM   742  C CG    . LEU    A  1  97  ? -24.948 -17.494 15.846  1.00 81.62 97  A  1 
ATOM   743  C CD1   . LEU    A  1  97  ? -23.907 -18.307 15.113  1.00 75.05 97  A  1 
ATOM   744  C CD2   . LEU    A  1  97  ? -26.013 -18.401 16.445  1.00 74.59 97  A  1 
ATOM   745  N N     . LYS    A  1  98  ? -24.772 -13.586 16.422  1.00 92.13 98  A  1 
ATOM   746  C CA    . LYS    A  1  98  ? -25.641 -12.615 15.767  1.00 92.04 98  A  1 
ATOM   747  C C     . LYS    A  1  98  ? -24.881 -11.465 15.113  1.00 91.97 98  A  1 
ATOM   748  O O     . LYS    A  1  98  ? -25.308 -10.957 14.075  1.00 89.12 98  A  1 
ATOM   749  C CB    . LYS    A  1  98  ? -26.644 -12.063 16.778  1.00 90.52 98  A  1 
ATOM   750  C CG    . LYS    A  1  98  ? -27.655 -11.087 16.193  1.00 80.94 98  A  1 
ATOM   751  C CD    . LYS    A  1  98  ? -28.719 -10.706 17.201  1.00 76.48 98  A  1 
ATOM   752  C CE    . LYS    A  1  98  ? -28.157 -9.861  18.323  1.00 65.20 98  A  1 
ATOM   753  N NZ    . LYS    A  1  98  ? -29.220 -9.417  19.277  1.00 57.54 98  A  1 
ATOM   754  N N     . LYS    A  1  99  ? -23.788 -11.057 15.703  1.00 91.75 99  A  1 
ATOM   755  C CA    . LYS    A  1  99  ? -23.071 -9.881  15.225  1.00 91.46 99  A  1 
ATOM   756  C C     . LYS    A  1  99  ? -21.694 -10.199 14.659  1.00 91.64 99  A  1 
ATOM   757  O O     . LYS    A  1  99  ? -21.367 -9.784  13.545  1.00 89.47 99  A  1 
ATOM   758  C CB    . LYS    A  1  99  ? -22.932 -8.865  16.359  1.00 89.37 99  A  1 
ATOM   759  C CG    . LYS    A  1  99  ? -22.101 -7.640  16.017  1.00 81.09 99  A  1 
ATOM   760  C CD    . LYS    A  1  99  ? -21.989 -6.711  17.207  1.00 79.06 99  A  1 
ATOM   761  C CE    . LYS    A  1  99  ? -21.085 -5.533  16.903  1.00 70.85 99  A  1 
ATOM   762  N NZ    . LYS    A  1  99  ? -20.949 -4.619  18.074  1.00 65.34 99  A  1 
ATOM   763  N N     . TRP    A  1  100 ? -20.891 -10.913 15.432  1.00 92.06 100 A  1 
ATOM   764  C CA    . TRP    A  1  100 ? -19.494 -11.072 15.050  1.00 91.85 100 A  1 
ATOM   765  C C     . TRP    A  1  100 ? -19.263 -12.072 13.930  1.00 91.77 100 A  1 
ATOM   766  O O     . TRP    A  1  100 ? -18.448 -11.818 13.040  1.00 88.77 100 A  1 
ATOM   767  C CB    . TRP    A  1  100 ? -18.658 -11.425 16.278  1.00 91.05 100 A  1 
ATOM   768  C CG    . TRP    A  1  100 ? -18.712 -10.318 17.266  1.00 90.13 100 A  1 
ATOM   769  C CD1   . TRP    A  1  100 ? -19.375 -10.303 18.457  1.00 83.66 100 A  1 
ATOM   770  C CD2   . TRP    A  1  100 ? -18.131 -9.025  17.111  1.00 87.80 100 A  1 
ATOM   771  N NE1   . TRP    A  1  100 ? -19.230 -9.085  19.059  1.00 85.20 100 A  1 
ATOM   772  C CE2   . TRP    A  1  100 ? -18.472 -8.278  18.255  1.00 86.29 100 A  1 
ATOM   773  C CE3   . TRP    A  1  100 ? -17.352 -8.423  16.121  1.00 84.61 100 A  1 
ATOM   774  C CZ2   . TRP    A  1  100 ? -18.060 -6.962  18.434  1.00 86.35 100 A  1 
ATOM   775  C CZ3   . TRP    A  1  100 ? -16.946 -7.118  16.303  1.00 80.37 100 A  1 
ATOM   776  C CH2   . TRP    A  1  100 ? -17.298 -6.401  17.452  1.00 82.39 100 A  1 
ATOM   777  N N     . MET    A  1  101 ? -19.954 -13.170 13.951  1.00 91.41 101 A  1 
ATOM   778  C CA    . MET    A  1  101 ? -19.756 -14.149 12.890  1.00 91.39 101 A  1 
ATOM   779  C C     . MET    A  1  101 ? -20.145 -13.603 11.515  1.00 91.27 101 A  1 
ATOM   780  O O     . MET    A  1  101 ? -19.398 -13.806 10.555  1.00 88.91 101 A  1 
ATOM   781  C CB    . MET    A  1  101 ? -20.506 -15.442 13.200  1.00 90.26 101 A  1 
ATOM   782  C CG    . MET    A  1  101 ? -19.899 -16.223 14.356  1.00 84.63 101 A  1 
ATOM   783  S SD    . MET    A  1  101 ? -18.143 -16.586 14.146  1.00 83.86 101 A  1 
ATOM   784  C CE    . MET    A  1  101 ? -18.167 -17.560 12.653  1.00 75.70 101 A  1 
ATOM   785  N N     . PRO    A  1  102 ? -21.278 -12.916 11.402  1.00 90.79 102 A  1 
ATOM   786  C CA    . PRO    A  1  102 ? -21.578 -12.332 10.088  1.00 90.74 102 A  1 
ATOM   787  C C     . PRO    A  1  102 ? -20.516 -11.339 9.631   1.00 90.86 102 A  1 
ATOM   788  O O     . PRO    A  1  102 ? -20.175 -11.299 8.447   1.00 88.76 102 A  1 
ATOM   789  C CB    . PRO    A  1  102 ? -22.924 -11.643 10.314  1.00 89.33 102 A  1 
ATOM   790  C CG    . PRO    A  1  102 ? -23.542 -12.411 11.418  1.00 87.06 102 A  1 
ATOM   791  C CD    . PRO    A  1  102 ? -22.412 -12.819 12.314  1.00 89.98 102 A  1 
ATOM   792  N N     . GLU    A  1  103 ? -19.999 -10.564 10.555  1.00 90.37 103 A  1 
ATOM   793  C CA    . GLU    A  1  103 ? -18.979 -9.586  10.198  1.00 90.04 103 A  1 
ATOM   794  C C     . GLU    A  1  103 ? -17.676 -10.265 9.782   1.00 89.96 103 A  1 
ATOM   795  O O     . GLU    A  1  103 ? -17.074 -9.903  8.767   1.00 87.57 103 A  1 
ATOM   796  C CB    . GLU    A  1  103 ? -18.733 -8.630  11.359  1.00 88.31 103 A  1 
ATOM   797  C CG    . GLU    A  1  103 ? -17.668 -7.583  11.078  1.00 83.60 103 A  1 
ATOM   798  C CD    . GLU    A  1  103 ? -17.603 -6.516  12.150  1.00 82.35 103 A  1 
ATOM   799  O OE1   . GLU    A  1  103 ? -18.648 -5.904  12.446  1.00 77.22 103 A  1 
ATOM   800  O OE2   . GLU    A  1  103 ? -16.511 -6.293  12.699  1.00 76.97 103 A  1 
ATOM   801  N N     . LEU    A  1  104 ? -17.249 -11.230 10.557  1.00 89.72 104 A  1 
ATOM   802  C CA    . LEU    A  1  104 ? -16.003 -11.918 10.239  1.00 89.71 104 A  1 
ATOM   803  C C     . LEU    A  1  104 ? -16.112 -12.709 8.939   1.00 89.11 104 A  1 
ATOM   804  O O     . LEU    A  1  104 ? -15.175 -12.722 8.141   1.00 85.85 104 A  1 
ATOM   805  C CB    . LEU    A  1  104 ? -15.598 -12.847 11.380  1.00 88.61 104 A  1 
ATOM   806  C CG    . LEU    A  1  104 ? -15.250 -12.175 12.704  1.00 87.18 104 A  1 
ATOM   807  C CD1   . LEU    A  1  104 ? -14.948 -13.220 13.760  1.00 80.20 104 A  1 
ATOM   808  C CD2   . LEU    A  1  104 ? -14.071 -11.232 12.543  1.00 80.85 104 A  1 
ATOM   809  N N     . ARG    A  1  105 ? -17.237 -13.349 8.738   1.00 90.28 105 A  1 
ATOM   810  C CA    . ARG    A  1  105 ? -17.413 -14.125 7.515   1.00 89.66 105 A  1 
ATOM   811  C C     . ARG    A  1  105 ? -17.520 -13.232 6.287   1.00 89.87 105 A  1 
ATOM   812  O O     . ARG    A  1  105 ? -17.169 -13.647 5.185   1.00 86.39 105 A  1 
ATOM   813  C CB    . ARG    A  1  105 ? -18.642 -15.023 7.631   1.00 87.99 105 A  1 
ATOM   814  C CG    . ARG    A  1  105 ? -18.470 -16.150 8.639   1.00 80.75 105 A  1 
ATOM   815  C CD    . ARG    A  1  105 ? -17.454 -17.154 8.156   1.00 75.21 105 A  1 
ATOM   816  N NE    . ARG    A  1  105 ? -17.201 -18.210 9.143   1.00 67.13 105 A  1 
ATOM   817  C CZ    . ARG    A  1  105 ? -16.116 -18.271 9.911   1.00 60.36 105 A  1 
ATOM   818  N NH1   . ARG    A  1  105 ? -15.162 -17.345 9.824   1.00 53.00 105 A  1 
ATOM   819  N NH2   . ARG    A  1  105 ? -15.973 -19.270 10.770  1.00 54.09 105 A  1 
ATOM   820  N N     . ARG    A  1  106 ? -17.995 -12.037 6.500   1.00 90.24 106 A  1 
ATOM   821  C CA    . ARG    A  1  106 ? -18.104 -11.109 5.385   1.00 90.13 106 A  1 
ATOM   822  C C     . ARG    A  1  106 ? -16.741 -10.600 4.934   1.00 89.94 106 A  1 
ATOM   823  O O     . ARG    A  1  106 ? -16.463 -10.535 3.737   1.00 87.08 106 A  1 
ATOM   824  C CB    . ARG    A  1  106 ? -18.989 -9.929  5.767   1.00 88.37 106 A  1 
ATOM   825  C CG    . ARG    A  1  106 ? -19.102 -8.874  4.682   1.00 80.71 106 A  1 
ATOM   826  C CD    . ARG    A  1  106 ? -19.974 -7.724  5.123   1.00 78.46 106 A  1 
ATOM   827  N NE    . ARG    A  1  106 ? -19.974 -6.642  4.140   1.00 70.57 106 A  1 
ATOM   828  C CZ    . ARG    A  1  106 ? -20.607 -5.486  4.299   1.00 65.61 106 A  1 
ATOM   829  N NH1   . ARG    A  1  106 ? -21.307 -5.251  5.403   1.00 59.43 106 A  1 
ATOM   830  N NH2   . ARG    A  1  106 ? -20.544 -4.567  3.359   1.00 58.39 106 A  1 
ATOM   831  N N     . PHE    A  1  107 ? -15.910 -10.244 5.888   1.00 89.44 107 A  1 
ATOM   832  C CA    . PHE    A  1  107 ? -14.633 -9.620  5.556   1.00 88.56 107 A  1 
ATOM   833  C C     . PHE    A  1  107 ? -13.431 -10.559 5.612   1.00 88.06 107 A  1 
ATOM   834  O O     . PHE    A  1  107 ? -12.382 -10.238 5.051   1.00 82.80 107 A  1 
ATOM   835  C CB    . PHE    A  1  107 ? -14.390 -8.428  6.476   1.00 87.00 107 A  1 
ATOM   836  C CG    . PHE    A  1  107 ? -15.397 -7.326  6.318   1.00 85.97 107 A  1 
ATOM   837  C CD1   . PHE    A  1  107 ? -15.315 -6.447  5.250   1.00 78.68 107 A  1 
ATOM   838  C CD2   . PHE    A  1  107 ? -16.427 -7.170  7.230   1.00 78.47 107 A  1 
ATOM   839  C CE1   . PHE    A  1  107 ? -16.245 -5.438  5.098   1.00 76.77 107 A  1 
ATOM   840  C CE2   . PHE    A  1  107 ? -17.361 -6.158  7.079   1.00 76.10 107 A  1 
ATOM   841  C CZ    . PHE    A  1  107 ? -17.268 -5.289  6.010   1.00 78.13 107 A  1 
ATOM   842  N N     . ALA    A  1  108 ? -13.580 -11.678 6.284   1.00 88.99 108 A  1 
ATOM   843  C CA    . ALA    A  1  108 ? -12.481 -12.636 6.397   1.00 88.80 108 A  1 
ATOM   844  C C     . ALA    A  1  108 ? -13.047 -14.043 6.578   1.00 88.95 108 A  1 
ATOM   845  O O     . ALA    A  1  108 ? -12.919 -14.647 7.645   1.00 85.01 108 A  1 
ATOM   846  C CB    . ALA    A  1  108 ? -11.571 -12.263 7.561   1.00 86.75 108 A  1 
ATOM   847  N N     . PRO    A  1  109 ? -13.683 -14.566 5.545   1.00 88.77 109 A  1 
ATOM   848  C CA    . PRO    A  1  109 ? -14.439 -15.818 5.672   1.00 87.51 109 A  1 
ATOM   849  C C     . PRO    A  1  109 ? -13.638 -17.074 5.990   1.00 86.41 109 A  1 
ATOM   850  O O     . PRO    A  1  109 ? -14.184 -17.997 6.595   1.00 79.90 109 A  1 
ATOM   851  C CB    . PRO    A  1  109 ? -15.118 -15.951 4.304   1.00 85.45 109 A  1 
ATOM   852  C CG    . PRO    A  1  109 ? -14.258 -15.168 3.382   1.00 82.40 109 A  1 
ATOM   853  C CD    . PRO    A  1  109 ? -13.747 -14.016 4.186   1.00 85.91 109 A  1 
ATOM   854  N N     . ASN    A  1  110 ? -12.389 -17.126 5.595   1.00 87.87 110 A  1 
ATOM   855  C CA    . ASN    A  1  110 ? -11.621 -18.355 5.770   1.00 87.42 110 A  1 
ATOM   856  C C     . ASN    A  1  110 ? -10.563 -18.277 6.865   1.00 87.87 110 A  1 
ATOM   857  O O     . ASN    A  1  110 ? -9.684  -19.135 6.936   1.00 83.42 110 A  1 
ATOM   858  C CB    . ASN    A  1  110 ? -10.970 -18.757 4.446   1.00 84.16 110 A  1 
ATOM   859  C CG    . ASN    A  1  110 ? -11.991 -19.130 3.394   1.00 77.93 110 A  1 
ATOM   860  O OD1   . ASN    A  1  110 ? -13.049 -19.676 3.706   1.00 67.87 110 A  1 
ATOM   861  N ND2   . ASN    A  1  110 ? -11.685 -18.836 2.140   1.00 67.85 110 A  1 
ATOM   862  N N     . VAL    A  1  111 ? -10.662 -17.274 7.695   1.00 89.13 111 A  1 
ATOM   863  C CA    . VAL    A  1  111 ? -9.696  -17.131 8.778   1.00 89.82 111 A  1 
ATOM   864  C C     . VAL    A  1  111 ? -10.210 -17.875 10.009  1.00 90.37 111 A  1 
ATOM   865  O O     . VAL    A  1  111 ? -11.360 -17.693 10.402  1.00 88.16 111 A  1 
ATOM   866  C CB    . VAL    A  1  111 ? -9.463  -15.648 9.106   1.00 88.54 111 A  1 
ATOM   867  C CG1   . VAL    A  1  111 ? -8.519  -15.495 10.287  1.00 80.47 111 A  1 
ATOM   868  C CG2   . VAL    A  1  111 ? -8.916  -14.929 7.886   1.00 81.00 111 A  1 
ATOM   869  N N     . PRO    A  1  112 ? -9.373  -18.700 10.615  1.00 90.43 112 A  1 
ATOM   870  C CA    . PRO    A  1  112 ? -9.825  -19.453 11.791  1.00 90.83 112 A  1 
ATOM   871  C C     . PRO    A  1  112 ? -10.098 -18.549 12.986  1.00 91.37 112 A  1 
ATOM   872  O O     . PRO    A  1  112 ? -9.604  -17.426 13.063  1.00 88.96 112 A  1 
ATOM   873  C CB    . PRO    A  1  112 ? -8.658  -20.402 12.074  1.00 88.83 112 A  1 
ATOM   874  C CG    . PRO    A  1  112 ? -7.479  -19.743 11.463  1.00 85.36 112 A  1 
ATOM   875  C CD    . PRO    A  1  112 ? -7.989  -19.031 10.250  1.00 88.19 112 A  1 
ATOM   876  N N     . ILE    A  1  113 ? -10.877 -19.080 13.910  1.00 90.70 113 A  1 
ATOM   877  C CA    . ILE    A  1  113 ? -11.313 -18.320 15.075  1.00 91.37 113 A  1 
ATOM   878  C C     . ILE    A  1  113 ? -11.044 -19.107 16.346  1.00 91.53 113 A  1 
ATOM   879  O O     . ILE    A  1  113 ? -11.287 -20.314 16.401  1.00 89.17 113 A  1 
ATOM   880  C CB    . ILE    A  1  113 ? -12.815 -17.995 14.988  1.00 90.04 113 A  1 
ATOM   881  C CG1   . ILE    A  1  113 ? -13.109 -17.136 13.757  1.00 82.70 113 A  1 
ATOM   882  C CG2   . ILE    A  1  113 ? -13.294 -17.300 16.258  1.00 82.26 113 A  1 
ATOM   883  C CD1   . ILE    A  1  113 ? -14.577 -17.042 13.414  1.00 79.20 113 A  1 
ATOM   884  N N     . VAL    A  1  114 ? -10.553 -18.408 17.347  1.00 91.65 114 A  1 
ATOM   885  C CA    . VAL    A  1  114 ? -10.439 -18.964 18.690  1.00 92.00 114 A  1 
ATOM   886  C C     . VAL    A  1  114 ? -11.447 -18.223 19.552  1.00 92.06 114 A  1 
ATOM   887  O O     . VAL    A  1  114 ? -11.328 -17.013 19.755  1.00 89.92 114 A  1 
ATOM   888  C CB    . VAL    A  1  114 ? -9.019  -18.804 19.262  1.00 90.92 114 A  1 
ATOM   889  C CG1   . VAL    A  1  114 ? -8.993  -19.197 20.734  1.00 81.64 114 A  1 
ATOM   890  C CG2   . VAL    A  1  114 ? -8.037  -19.656 18.477  1.00 81.88 114 A  1 
ATOM   891  N N     . LEU    A  1  115 ? -12.427 -18.955 20.039  1.00 91.63 115 A  1 
ATOM   892  C CA    . LEU    A  1  115 ? -13.457 -18.359 20.878  1.00 92.20 115 A  1 
ATOM   893  C C     . LEU    A  1  115 ? -12.952 -18.272 22.311  1.00 92.37 115 A  1 
ATOM   894  O O     . LEU    A  1  115 ? -12.425 -19.243 22.853  1.00 90.42 115 A  1 
ATOM   895  C CB    . LEU    A  1  115 ? -14.729 -19.200 20.815  1.00 91.30 115 A  1 
ATOM   896  C CG    . LEU    A  1  115 ? -15.946 -18.671 21.574  1.00 89.46 115 A  1 
ATOM   897  C CD1   . LEU    A  1  115 ? -16.433 -17.367 20.971  1.00 82.29 115 A  1 
ATOM   898  C CD2   . LEU    A  1  115 ? -17.057 -19.713 21.552  1.00 83.01 115 A  1 
ATOM   899  N N     . VAL    A  1  116 ? -13.120 -17.109 22.909  1.00 92.06 116 A  1 
ATOM   900  C CA    . VAL    A  1  116 ? -12.610 -16.887 24.260  1.00 92.25 116 A  1 
ATOM   901  C C     . VAL    A  1  116 ? -13.692 -16.320 25.163  1.00 91.96 116 A  1 
ATOM   902  O O     . VAL    A  1  116 ? -14.351 -15.341 24.818  1.00 89.32 116 A  1 
ATOM   903  C CB    . VAL    A  1  116 ? -11.402 -15.931 24.252  1.00 90.80 116 A  1 
ATOM   904  C CG1   . VAL    A  1  116 ? -10.933 -15.655 25.670  1.00 79.68 116 A  1 
ATOM   905  C CG2   . VAL    A  1  116 ? -10.274 -16.513 23.424  1.00 80.89 116 A  1 
ATOM   906  N N     . GLY    A  1  117 ? -13.843 -16.941 26.324  1.00 92.20 117 A  1 
ATOM   907  C CA    . GLY    A  1  117 ? -14.741 -16.425 27.341  1.00 92.16 117 A  1 
ATOM   908  C C     . GLY    A  1  117 ? -13.913 -15.699 28.380  1.00 92.35 117 A  1 
ATOM   909  O O     . GLY    A  1  117 ? -13.060 -16.301 29.023  1.00 89.69 117 A  1 
ATOM   910  N N     . THR    A  1  118 ? -14.177 -14.420 28.535  1.00 91.62 118 A  1 
ATOM   911  C CA    . THR    A  1  118 ? -13.373 -13.600 29.437  1.00 91.29 118 A  1 
ATOM   912  C C     . THR    A  1  118 ? -14.024 -13.434 30.807  1.00 90.83 118 A  1 
ATOM   913  O O     . THR    A  1  118 ? -15.165 -13.838 31.028  1.00 87.74 118 A  1 
ATOM   914  C CB    . THR    A  1  118 ? -13.129 -12.216 28.826  1.00 89.90 118 A  1 
ATOM   915  O OG1   . THR    A  1  118 ? -14.386 -11.553 28.653  1.00 78.99 118 A  1 
ATOM   916  C CG2   . THR    A  1  118 ? -12.425 -12.326 27.489  1.00 79.29 118 A  1 
ATOM   917  N N     . LYS    A  1  119 ? -13.272 -12.833 31.705  1.00 90.85 119 A  1 
ATOM   918  C CA    . LYS    A  1  119 ? -13.727 -12.542 33.064  1.00 90.44 119 A  1 
ATOM   919  C C     . LYS    A  1  119 ? -14.090 -13.812 33.833  1.00 90.38 119 A  1 
ATOM   920  O O     . LYS    A  1  119 ? -15.089 -13.864 34.558  1.00 86.83 119 A  1 
ATOM   921  C CB    . LYS    A  1  119 ? -14.903 -11.564 33.043  1.00 88.40 119 A  1 
ATOM   922  C CG    . LYS    A  1  119 ? -14.587 -10.258 32.323  1.00 86.67 119 A  1 
ATOM   923  C CD    . LYS    A  1  119 ? -15.743 -9.280  32.390  1.00 84.29 119 A  1 
ATOM   924  C CE    . LYS    A  1  119 ? -15.419 -8.014  31.610  1.00 82.46 119 A  1 
ATOM   925  N NZ    . LYS    A  1  119 ? -16.548 -7.049  31.622  1.00 77.12 119 A  1 
ATOM   926  N N     . LEU    A  1  120 ? -13.277 -14.808 33.669  1.00 90.87 120 A  1 
ATOM   927  C CA    . LEU    A  1  120 ? -13.500 -16.077 34.356  1.00 90.93 120 A  1 
ATOM   928  C C     . LEU    A  1  120 ? -13.523 -15.904 35.868  1.00 90.14 120 A  1 
ATOM   929  O O     . LEU    A  1  120 ? -14.243 -16.620 36.564  1.00 87.12 120 A  1 
ATOM   930  C CB    . LEU    A  1  120 ? -12.414 -17.079 33.959  1.00 90.13 120 A  1 
ATOM   931  C CG    . LEU    A  1  120 ? -12.439 -18.453 34.624  1.00 87.99 120 A  1 
ATOM   932  C CD1   . LEU    A  1  120 ? -13.748 -19.167 34.330  1.00 79.94 120 A  1 
ATOM   933  C CD2   . LEU    A  1  120 ? -11.264 -19.287 34.146  1.00 80.27 120 A  1 
ATOM   934  N N     . ASP    A  1  121 ? -12.762 -14.978 36.373  1.00 89.73 121 A  1 
ATOM   935  C CA    . ASP    A  1  121 ? -12.695 -14.746 37.809  1.00 88.19 121 A  1 
ATOM   936  C C     . ASP    A  1  121 ? -14.051 -14.354 38.386  1.00 87.98 121 A  1 
ATOM   937  O O     . ASP    A  1  121 ? -14.379 -14.734 39.510  1.00 84.06 121 A  1 
ATOM   938  C CB    . ASP    A  1  121 ? -11.658 -13.666 38.133  1.00 86.22 121 A  1 
ATOM   939  C CG    . ASP    A  1  121 ? -11.971 -12.342 37.463  1.00 83.57 121 A  1 
ATOM   940  O OD1   . ASP    A  1  121 ? -11.974 -12.283 36.223  1.00 76.23 121 A  1 
ATOM   941  O OD2   . ASP    A  1  121 ? -12.211 -11.354 38.185  1.00 77.47 121 A  1 
ATOM   942  N N     . LEU    A  1  122 ? -14.840 -13.613 37.631  1.00 87.85 122 A  1 
ATOM   943  C CA    . LEU    A  1  122 ? -16.151 -13.201 38.119  1.00 87.20 122 A  1 
ATOM   944  C C     . LEU    A  1  122 ? -17.134 -14.366 38.136  1.00 86.35 122 A  1 
ATOM   945  O O     . LEU    A  1  122 ? -17.955 -14.474 39.044  1.00 81.77 122 A  1 
ATOM   946  C CB    . LEU    A  1  122 ? -16.696 -12.055 37.275  1.00 85.57 122 A  1 
ATOM   947  C CG    . LEU    A  1  122 ? -15.939 -10.728 37.378  1.00 82.85 122 A  1 
ATOM   948  C CD1   . LEU    A  1  122 ? -16.539 -9.700  36.434  1.00 77.00 122 A  1 
ATOM   949  C CD2   . LEU    A  1  122 ? -15.951 -10.204 38.806  1.00 76.86 122 A  1 
ATOM   950  N N     . ARG    A  1  123 ? -17.058 -15.207 37.132  1.00 85.99 123 A  1 
ATOM   951  C CA    . ARG    A  1  123 ? -17.945 -16.367 37.109  1.00 85.74 123 A  1 
ATOM   952  C C     . ARG    A  1  123 ? -17.605 -17.335 38.241  1.00 84.76 123 A  1 
ATOM   953  O O     . ARG    A  1  123 ? -18.495 -17.966 38.807  1.00 80.75 123 A  1 
ATOM   954  C CB    . ARG    A  1  123 ? -17.861 -17.091 35.765  1.00 84.70 123 A  1 
ATOM   955  C CG    . ARG    A  1  123 ? -18.937 -18.152 35.592  1.00 81.25 123 A  1 
ATOM   956  C CD    . ARG    A  1  123 ? -18.728 -18.972 34.332  1.00 81.76 123 A  1 
ATOM   957  N NE    . ARG    A  1  123 ? -17.552 -19.823 34.438  1.00 80.84 123 A  1 
ATOM   958  C CZ    . ARG    A  1  123 ? -17.087 -20.586 33.454  1.00 83.16 123 A  1 
ATOM   959  N NH1   . ARG    A  1  123 ? -17.698 -20.603 32.269  1.00 74.02 123 A  1 
ATOM   960  N NH2   . ARG    A  1  123 ? -16.011 -21.333 33.640  1.00 76.66 123 A  1 
ATOM   961  N N     . ASP    A  1  124 ? -16.336 -17.444 38.564  1.00 83.72 124 A  1 
ATOM   962  C CA    . ASP    A  1  124 ? -15.903 -18.349 39.626  1.00 82.03 124 A  1 
ATOM   963  C C     . ASP    A  1  124 ? -16.049 -17.744 41.018  1.00 81.30 124 A  1 
ATOM   964  O O     . ASP    A  1  124 ? -15.837 -18.440 42.013  1.00 75.88 124 A  1 
ATOM   965  C CB    . ASP    A  1  124 ? -14.446 -18.765 39.399  1.00 79.33 124 A  1 
ATOM   966  C CG    . ASP    A  1  124 ? -14.273 -19.653 38.182  1.00 75.84 124 A  1 
ATOM   967  O OD1   . ASP    A  1  124 ? -15.282 -20.179 37.675  1.00 68.98 124 A  1 
ATOM   968  O OD2   . ASP    A  1  124 ? -13.123 -19.836 37.741  1.00 69.91 124 A  1 
ATOM   969  N N     . ASP    A  1  125 ? -16.413 -16.479 41.087  1.00 82.71 125 A  1 
ATOM   970  C CA    . ASP    A  1  125 ? -16.583 -15.820 42.377  1.00 81.32 125 A  1 
ATOM   971  C C     . ASP    A  1  125 ? -17.921 -16.228 42.991  1.00 80.25 125 A  1 
ATOM   972  O O     . ASP    A  1  125 ? -18.981 -15.922 42.447  1.00 75.41 125 A  1 
ATOM   973  C CB    . ASP    A  1  125 ? -16.507 -14.303 42.209  1.00 78.04 125 A  1 
ATOM   974  C CG    . ASP    A  1  125 ? -16.565 -13.557 43.535  1.00 73.11 125 A  1 
ATOM   975  O OD1   . ASP    A  1  125 ? -16.554 -14.209 44.595  1.00 66.39 125 A  1 
ATOM   976  O OD2   . ASP    A  1  125 ? -16.620 -12.312 43.514  1.00 66.02 125 A  1 
ATOM   977  N N     . LYS    A  1  126 ? -17.865 -16.897 44.120  1.00 80.29 126 A  1 
ATOM   978  C CA    . LYS    A  1  126 ? -19.078 -17.361 44.793  1.00 78.89 126 A  1 
ATOM   979  C C     . LYS    A  1  126 ? -19.994 -16.202 45.162  1.00 78.86 126 A  1 
ATOM   980  O O     . LYS    A  1  126 ? -21.216 -16.310 45.049  1.00 72.33 126 A  1 
ATOM   981  C CB    . LYS    A  1  126 ? -18.706 -18.152 46.048  1.00 75.12 126 A  1 
ATOM   982  C CG    . LYS    A  1  126 ? -17.837 -19.370 45.779  1.00 67.91 126 A  1 
ATOM   983  C CD    . LYS    A  1  126 ? -18.548 -20.394 44.929  1.00 58.32 126 A  1 
ATOM   984  C CE    . LYS    A  1  126 ? -17.725 -21.663 44.789  1.00 50.37 126 A  1 
ATOM   985  N NZ    . LYS    A  1  126 ? -16.447 -21.429 44.080  1.00 41.91 126 A  1 
ATOM   986  N N     . GLY    A  1  127 ? -19.416 -15.119 45.604  1.00 77.71 127 A  1 
ATOM   987  C CA    . GLY    A  1  127 ? -20.210 -13.955 45.968  1.00 75.84 127 A  1 
ATOM   988  C C     . GLY    A  1  127 ? -20.917 -13.351 44.773  1.00 75.91 127 A  1 
ATOM   989  O O     . GLY    A  1  127 ? -22.047 -12.876 44.886  1.00 70.71 127 A  1 
ATOM   990  N N     . TYR    A  1  128 ? -20.257 -13.379 43.642  1.00 76.90 128 A  1 
ATOM   991  C CA    . TYR    A  1  128 ? -20.858 -12.821 42.435  1.00 75.40 128 A  1 
ATOM   992  C C     . TYR    A  1  128 ? -22.004 -13.697 41.933  1.00 74.65 128 A  1 
ATOM   993  O O     . TYR    A  1  128 ? -23.011 -13.189 41.435  1.00 70.02 128 A  1 
ATOM   994  C CB    . TYR    A  1  128 ? -19.799 -12.663 41.346  1.00 71.84 128 A  1 
ATOM   995  C CG    . TYR    A  1  128 ? -20.317 -11.982 40.103  1.00 69.04 128 A  1 
ATOM   996  C CD1   . TYR    A  1  128 ? -20.382 -10.596 40.025  1.00 63.82 128 A  1 
ATOM   997  C CD2   . TYR    A  1  128 ? -20.752 -12.718 39.013  1.00 63.89 128 A  1 
ATOM   998  C CE1   . TYR    A  1  128 ? -20.864 -9.965  38.894  1.00 60.68 128 A  1 
ATOM   999  C CE2   . TYR    A  1  128 ? -21.239 -12.094 37.875  1.00 59.52 128 A  1 
ATOM   1000 C CZ    . TYR    A  1  128 ? -21.291 -10.717 37.822  1.00 60.02 128 A  1 
ATOM   1001 O OH    . TYR    A  1  128 ? -21.774 -10.091 36.699  1.00 57.55 128 A  1 
ATOM   1002 N N     . LEU    A  1  129 ? -21.848 -14.993 42.064  1.00 75.50 129 A  1 
ATOM   1003 C CA    . LEU    A  1  129 ? -22.888 -15.918 41.615  1.00 74.27 129 A  1 
ATOM   1004 C C     . LEU    A  1  129 ? -24.184 -15.754 42.394  1.00 74.31 129 A  1 
ATOM   1005 O O     . LEU    A  1  129 ? -25.250 -16.135 41.910  1.00 70.11 129 A  1 
ATOM   1006 C CB    . LEU    A  1  129 ? -22.394 -17.361 41.731  1.00 70.16 129 A  1 
ATOM   1007 C CG    . LEU    A  1  129 ? -21.277 -17.773 40.776  1.00 64.21 129 A  1 
ATOM   1008 C CD1   . LEU    A  1  129 ? -20.774 -19.161 41.117  1.00 58.72 129 A  1 
ATOM   1009 C CD2   . LEU    A  1  129 ? -21.755 -17.720 39.334  1.00 59.14 129 A  1 
ATOM   1010 N N     . ALA    A  1  130 ? -24.096 -15.201 43.575  1.00 74.55 130 A  1 
ATOM   1011 C CA    . ALA    A  1  130 ? -25.288 -14.997 44.391  1.00 73.44 130 A  1 
ATOM   1012 C C     . ALA    A  1  130 ? -26.264 -14.020 43.743  1.00 73.07 130 A  1 
ATOM   1013 O O     . ALA    A  1  130 ? -27.455 -14.042 44.053  1.00 68.34 130 A  1 
ATOM   1014 C CB    . ALA    A  1  130 ? -24.894 -14.496 45.776  1.00 71.25 130 A  1 
ATOM   1015 N N     . ASP    A  1  131 ? -25.774 -13.185 42.864  1.00 72.94 131 A  1 
ATOM   1016 C CA    . ASP    A  1  131 ? -26.633 -12.219 42.187  1.00 70.12 131 A  1 
ATOM   1017 C C     . ASP    A  1  131 ? -27.511 -12.870 41.119  1.00 68.89 131 A  1 
ATOM   1018 O O     . ASP    A  1  131 ? -28.457 -12.241 40.636  1.00 63.71 131 A  1 
ATOM   1019 C CB    . ASP    A  1  131 ? -25.788 -11.116 41.551  1.00 66.09 131 A  1 
ATOM   1020 C CG    . ASP    A  1  131 ? -25.050 -10.283 42.579  1.00 60.49 131 A  1 
ATOM   1021 O OD1   . ASP    A  1  131 ? -25.492 -10.250 43.744  1.00 55.57 131 A  1 
ATOM   1022 O OD2   . ASP    A  1  131 ? -24.032 -9.663  42.219  1.00 54.61 131 A  1 
ATOM   1023 N N     . HIS    A  1  132 ? -27.204 -14.099 40.764  1.00 68.74 132 A  1 
ATOM   1024 C CA    . HIS    A  1  132 ? -27.961 -14.825 39.740  1.00 67.36 132 A  1 
ATOM   1025 C C     . HIS    A  1  132 ? -28.027 -14.049 38.427  1.00 68.13 132 A  1 
ATOM   1026 O O     . HIS    A  1  132 ? -29.078 -13.977 37.780  1.00 63.29 132 A  1 
ATOM   1027 C CB    . HIS    A  1  132 ? -29.371 -15.149 40.234  1.00 62.34 132 A  1 
ATOM   1028 C CG    . HIS    A  1  132 ? -29.400 -15.988 41.471  1.00 57.33 132 A  1 
ATOM   1029 N ND1   . HIS    A  1  132 ? -29.525 -15.450 42.726  1.00 49.54 132 A  1 
ATOM   1030 C CD2   . HIS    A  1  132 ? -29.311 -17.321 41.643  1.00 50.82 132 A  1 
ATOM   1031 C CE1   . HIS    A  1  132 ? -29.513 -16.426 43.623  1.00 47.24 132 A  1 
ATOM   1032 N NE2   . HIS    A  1  132 ? -29.387 -17.568 42.994  1.00 47.09 132 A  1 
ATOM   1033 N N     . THR    A  1  133 ? -26.902 -13.478 38.049  1.00 75.01 133 A  1 
ATOM   1034 C CA    . THR    A  1  133 ? -26.820 -12.745 36.795  1.00 72.69 133 A  1 
ATOM   1035 C C     . THR    A  1  133 ? -26.668 -13.716 35.630  1.00 73.15 133 A  1 
ATOM   1036 O O     . THR    A  1  133 ? -26.551 -14.927 35.821  1.00 67.50 133 A  1 
ATOM   1037 C CB    . THR    A  1  133 ? -25.640 -11.773 36.813  1.00 67.70 133 A  1 
ATOM   1038 O OG1   . THR    A  1  133 ? -24.436 -12.490 37.085  1.00 60.21 133 A  1 
ATOM   1039 C CG2   . THR    A  1  133 ? -25.846 -10.708 37.874  1.00 58.28 133 A  1 
ATOM   1040 N N     . ASN    A  1  134 ? -26.677 -13.171 34.433  1.00 79.05 134 A  1 
ATOM   1041 C CA    . ASN    A  1  134 ? -26.489 -13.992 33.241  1.00 79.39 134 A  1 
ATOM   1042 C C     . ASN    A  1  134 ? -25.039 -14.451 33.158  1.00 81.43 134 A  1 
ATOM   1043 O O     . ASN    A  1  134 ? -24.145 -13.655 32.876  1.00 77.24 134 A  1 
ATOM   1044 C CB    . ASN    A  1  134 ? -26.865 -13.213 31.989  1.00 74.11 134 A  1 
ATOM   1045 C CG    . ASN    A  1  134 ? -28.352 -12.940 31.901  1.00 68.39 134 A  1 
ATOM   1046 O OD1   . ASN    A  1  134 ? -29.171 -13.763 32.307  1.00 60.57 134 A  1 
ATOM   1047 N ND2   . ASN    A  1  134 ? -28.709 -11.778 31.371  1.00 60.74 134 A  1 
ATOM   1048 N N     . VAL    A  1  135 ? -24.841 -15.728 33.406  1.00 85.55 135 A  1 
ATOM   1049 C CA    . VAL    A  1  135 ? -23.501 -16.297 33.396  1.00 86.26 135 A  1 
ATOM   1050 C C     . VAL    A  1  135 ? -23.449 -17.431 32.382  1.00 87.33 135 A  1 
ATOM   1051 O O     . VAL    A  1  135 ? -24.375 -18.235 32.289  1.00 84.36 135 A  1 
ATOM   1052 C CB    . VAL    A  1  135 ? -23.116 -16.813 34.793  1.00 83.53 135 A  1 
ATOM   1053 C CG1   . VAL    A  1  135 ? -21.786 -17.538 34.749  1.00 73.11 135 A  1 
ATOM   1054 C CG2   . VAL    A  1  135 ? -23.055 -15.661 35.780  1.00 73.75 135 A  1 
ATOM   1055 N N     . ILE    A  1  136 ? -22.360 -17.473 31.646  1.00 88.60 136 A  1 
ATOM   1056 C CA    . ILE    A  1  136 ? -22.187 -18.493 30.622  1.00 89.40 136 A  1 
ATOM   1057 C C     . ILE    A  1  136 ? -21.337 -19.632 31.169  1.00 89.69 136 A  1 
ATOM   1058 O O     . ILE    A  1  136 ? -20.245 -19.406 31.690  1.00 87.30 136 A  1 
ATOM   1059 C CB    . ILE    A  1  136 ? -21.522 -17.912 29.364  1.00 88.29 136 A  1 
ATOM   1060 C CG1   . ILE    A  1  136 ? -22.265 -16.653 28.898  1.00 82.58 136 A  1 
ATOM   1061 C CG2   . ILE    A  1  136 ? -21.467 -18.953 28.259  1.00 80.47 136 A  1 
ATOM   1062 C CD1   . ILE    A  1  136 ? -23.719 -16.866 28.577  1.00 74.72 136 A  1 
ATOM   1063 N N     . THR    A  1  137 ? -21.844 -20.838 31.038  1.00 89.08 137 A  1 
ATOM   1064 C CA    . THR    A  1  137 ? -21.105 -22.004 31.503  1.00 88.93 137 A  1 
ATOM   1065 C C     . THR    A  1  137 ? -20.096 -22.449 30.451  1.00 89.76 137 A  1 
ATOM   1066 O O     . THR    A  1  137 ? -20.172 -22.054 29.289  1.00 87.53 137 A  1 
ATOM   1067 C CB    . THR    A  1  137 ? -22.047 -23.172 31.799  1.00 86.86 137 A  1 
ATOM   1068 O OG1   . THR    A  1  137 ? -22.664 -23.599 30.587  1.00 77.55 137 A  1 
ATOM   1069 C CG2   . THR    A  1  137 ? -23.111 -22.770 32.805  1.00 74.79 137 A  1 
ATOM   1070 N N     . SER    A  1  138 ? -19.185 -23.299 30.875  1.00 90.24 138 A  1 
ATOM   1071 C CA    . SER    A  1  138 ? -18.201 -23.846 29.946  1.00 90.66 138 A  1 
ATOM   1072 C C     . SER    A  1  138 ? -18.882 -24.669 28.860  1.00 91.27 138 A  1 
ATOM   1073 O O     . SER    A  1  138 ? -18.439 -24.682 27.712  1.00 88.45 138 A  1 
ATOM   1074 C CB    . SER    A  1  138 ? -17.185 -24.702 30.692  1.00 88.97 138 A  1 
ATOM   1075 O OG    . SER    A  1  138 ? -16.466 -23.928 31.632  1.00 78.94 138 A  1 
ATOM   1076 N N     . THR    A  1  139 ? -19.951 -25.340 29.234  1.00 92.46 139 A  1 
ATOM   1077 C CA    . THR    A  1  139 ? -20.696 -26.142 28.268  1.00 92.50 139 A  1 
ATOM   1078 C C     . THR    A  1  139 ? -21.323 -25.256 27.195  1.00 92.67 139 A  1 
ATOM   1079 O O     . THR    A  1  139 ? -21.297 -25.587 26.010  1.00 90.02 139 A  1 
ATOM   1080 C CB    . THR    A  1  139 ? -21.781 -26.962 28.971  1.00 91.11 139 A  1 
ATOM   1081 O OG1   . THR    A  1  139 ? -21.176 -27.806 29.954  1.00 79.00 139 A  1 
ATOM   1082 C CG2   . THR    A  1  139 ? -22.543 -27.817 27.973  1.00 74.02 139 A  1 
ATOM   1083 N N     . GLN    A  1  140 ? -21.879 -24.144 27.622  1.00 92.15 140 A  1 
ATOM   1084 C CA    . GLN    A  1  140 ? -22.472 -23.211 26.671  1.00 91.81 140 A  1 
ATOM   1085 C C     . GLN    A  1  140 ? -21.414 -22.632 25.740  1.00 92.29 140 A  1 
ATOM   1086 O O     . GLN    A  1  140 ? -21.661 -22.439 24.549  1.00 90.11 140 A  1 
ATOM   1087 C CB    . GLN    A  1  140 ? -23.192 -22.087 27.416  1.00 90.18 140 A  1 
ATOM   1088 C CG    . GLN    A  1  140 ? -24.470 -22.523 28.103  1.00 86.23 140 A  1 
ATOM   1089 C CD    . GLN    A  1  140 ? -25.100 -21.412 28.916  1.00 83.98 140 A  1 
ATOM   1090 O OE1   . GLN    A  1  140 ? -24.429 -20.773 29.722  1.00 75.04 140 A  1 
ATOM   1091 N NE2   . GLN    A  1  140 ? -26.385 -21.177 28.710  1.00 73.16 140 A  1 
ATOM   1092 N N     . GLY    A  1  141 ? -20.255 -22.365 26.294  1.00 91.09 141 A  1 
ATOM   1093 C CA    . GLY    A  1  141 ? -19.167 -21.850 25.477  1.00 91.12 141 A  1 
ATOM   1094 C C     . GLY    A  1  141 ? -18.714 -22.859 24.442  1.00 92.04 141 A  1 
ATOM   1095 O O     . GLY    A  1  141 ? -18.471 -22.514 23.284  1.00 89.89 141 A  1 
ATOM   1096 N N     . GLU    A  1  142 ? -18.616 -24.098 24.857  1.00 92.85 142 A  1 
ATOM   1097 C CA    . GLU    A  1  142 ? -18.207 -25.156 23.933  1.00 93.03 142 A  1 
ATOM   1098 C C     . GLU    A  1  142 ? -19.261 -25.368 22.851  1.00 93.37 142 A  1 
ATOM   1099 O O     . GLU    A  1  142 ? -18.929 -25.618 21.690  1.00 91.14 142 A  1 
ATOM   1100 C CB    . GLU    A  1  142 ? -17.958 -26.452 24.706  1.00 91.40 142 A  1 
ATOM   1101 C CG    . GLU    A  1  142 ? -17.592 -27.650 23.844  1.00 80.37 142 A  1 
ATOM   1102 C CD    . GLU    A  1  142 ? -16.302 -27.458 23.069  1.00 79.75 142 A  1 
ATOM   1103 O OE1   . GLU    A  1  142 ? -15.500 -26.577 23.438  1.00 73.18 142 A  1 
ATOM   1104 O OE2   . GLU    A  1  142 ? -16.087 -28.198 22.090  1.00 72.68 142 A  1 
ATOM   1105 N N     . GLU    A  1  143 ? -20.519 -25.268 23.236  1.00 93.53 143 A  1 
ATOM   1106 C CA    . GLU    A  1  143 ? -21.599 -25.407 22.263  1.00 93.34 143 A  1 
ATOM   1107 C C     . GLU    A  1  143 ? -21.518 -24.299 21.216  1.00 93.49 143 A  1 
ATOM   1108 O O     . GLU    A  1  143 ? -21.726 -24.543 20.022  1.00 90.85 143 A  1 
ATOM   1109 C CB    . GLU    A  1  143 ? -22.954 -25.380 22.964  1.00 92.07 143 A  1 
ATOM   1110 C CG    . GLU    A  1  143 ? -24.140 -25.606 22.041  1.00 79.26 143 A  1 
ATOM   1111 C CD    . GLU    A  1  143 ? -25.462 -25.635 22.782  1.00 71.51 143 A  1 
ATOM   1112 O OE1   . GLU    A  1  143 ? -25.450 -25.479 24.020  1.00 62.93 143 A  1 
ATOM   1113 O OE2   . GLU    A  1  143 ? -26.507 -25.812 22.127  1.00 63.12 143 A  1 
ATOM   1114 N N     . LEU    A  1  144 ? -21.224 -23.107 21.676  1.00 92.32 144 A  1 
ATOM   1115 C CA    . LEU    A  1  144 ? -21.090 -21.987 20.749  1.00 92.32 144 A  1 
ATOM   1116 C C     . LEU    A  1  144 ? -19.898 -22.194 19.822  1.00 92.41 144 A  1 
ATOM   1117 O O     . LEU    A  1  144 ? -19.967 -21.869 18.636  1.00 90.17 144 A  1 
ATOM   1118 C CB    . LEU    A  1  144 ? -20.943 -20.679 21.522  1.00 91.09 144 A  1 
ATOM   1119 C CG    . LEU    A  1  144 ? -20.815 -19.401 20.688  1.00 88.52 144 A  1 
ATOM   1120 C CD1   . LEU    A  1  144 ? -22.022 -19.209 19.792  1.00 80.23 144 A  1 
ATOM   1121 C CD2   . LEU    A  1  144 ? -20.639 -18.201 21.603  1.00 81.21 144 A  1 
ATOM   1122 N N     . ARG    A  1  145 ? -18.818 -22.728 20.367  1.00 92.81 145 A  1 
ATOM   1123 C CA    . ARG    A  1  145 ? -17.638 -23.004 19.552  1.00 92.89 145 A  1 
ATOM   1124 C C     . ARG    A  1  145 ? -17.990 -23.921 18.386  1.00 92.45 145 A  1 
ATOM   1125 O O     . ARG    A  1  145 ? -17.598 -23.672 17.245  1.00 90.47 145 A  1 
ATOM   1126 C CB    . ARG    A  1  145 ? -16.538 -23.653 20.388  1.00 92.01 145 A  1 
ATOM   1127 C CG    . ARG    A  1  145 ? -15.281 -23.938 19.590  1.00 87.66 145 A  1 
ATOM   1128 C CD    . ARG    A  1  145 ? -14.390 -24.967 20.239  1.00 86.76 145 A  1 
ATOM   1129 N NE    . ARG    A  1  145 ? -15.003 -26.287 20.270  1.00 82.83 145 A  1 
ATOM   1130 C CZ    . ARG    A  1  145 ? -15.089 -27.112 19.225  1.00 80.84 145 A  1 
ATOM   1131 N NH1   . ARG    A  1  145 ? -14.595 -26.752 18.047  1.00 70.43 145 A  1 
ATOM   1132 N NH2   . ARG    A  1  145 ? -15.661 -28.296 19.356  1.00 74.18 145 A  1 
ATOM   1133 N N     . LYS    A  1  146 ? -18.719 -24.976 18.691  1.00 92.53 146 A  1 
ATOM   1134 C CA    . LYS    A  1  146 ? -19.113 -25.922 17.652  1.00 92.13 146 A  1 
ATOM   1135 C C     . LYS    A  1  146 ? -20.035 -25.267 16.632  1.00 91.27 146 A  1 
ATOM   1136 O O     . LYS    A  1  146 ? -19.929 -25.530 15.433  1.00 88.63 146 A  1 
ATOM   1137 C CB    . LYS    A  1  146 ? -19.806 -27.131 18.275  1.00 91.19 146 A  1 
ATOM   1138 C CG    . LYS    A  1  146 ? -18.904 -27.988 19.142  1.00 83.35 146 A  1 
ATOM   1139 C CD    . LYS    A  1  146 ? -19.673 -29.143 19.759  1.00 80.87 146 A  1 
ATOM   1140 C CE    . LYS    A  1  146 ? -18.781 -29.995 20.647  1.00 70.95 146 A  1 
ATOM   1141 N NZ    . LYS    A  1  146 ? -19.534 -31.103 21.296  1.00 62.51 146 A  1 
ATOM   1142 N N     . GLN    A  1  147 ? -20.924 -24.431 17.119  1.00 92.72 147 A  1 
ATOM   1143 C CA    . GLN    A  1  147 ? -21.895 -23.801 16.238  1.00 92.23 147 A  1 
ATOM   1144 C C     . GLN    A  1  147 ? -21.243 -22.849 15.241  1.00 91.74 147 A  1 
ATOM   1145 O O     . GLN    A  1  147 ? -21.644 -22.795 14.079  1.00 88.21 147 A  1 
ATOM   1146 C CB    . GLN    A  1  147 ? -22.943 -23.063 17.061  1.00 90.72 147 A  1 
ATOM   1147 C CG    . GLN    A  1  147 ? -24.106 -22.520 16.249  1.00 81.34 147 A  1 
ATOM   1148 C CD    . GLN    A  1  147 ? -25.212 -21.964 17.120  1.00 79.03 147 A  1 
ATOM   1149 O OE1   . GLN    A  1  147 ? -25.075 -21.883 18.340  1.00 70.63 147 A  1 
ATOM   1150 N NE2   . GLN    A  1  147 ? -26.320 -21.582 16.499  1.00 68.51 147 A  1 
ATOM   1151 N N     . ILE    A  1  148 ? -20.258 -22.120 15.685  1.00 91.37 148 A  1 
ATOM   1152 C CA    . ILE    A  1  148 ? -19.603 -21.153 14.803  1.00 90.39 148 A  1 
ATOM   1153 C C     . ILE    A  1  148 ? -18.394 -21.743 14.087  1.00 89.91 148 A  1 
ATOM   1154 O O     . ILE    A  1  148 ? -17.802 -21.081 13.229  1.00 86.42 148 A  1 
ATOM   1155 C CB    . ILE    A  1  148 ? -19.174 -19.887 15.574  1.00 89.11 148 A  1 
ATOM   1156 C CG1   . ILE    A  1  148 ? -18.059 -20.207 16.568  1.00 81.49 148 A  1 
ATOM   1157 C CG2   . ILE    A  1  148 ? -20.375 -19.266 16.277  1.00 79.72 148 A  1 
ATOM   1158 C CD1   . ILE    A  1  148 ? -17.472 -18.990 17.250  1.00 78.63 148 A  1 
ATOM   1159 N N     . GLY    A  1  149 ? -18.032 -22.952 14.445  1.00 90.00 149 A  1 
ATOM   1160 C CA    . GLY    A  1  149 ? -16.895 -23.592 13.806  1.00 89.52 149 A  1 
ATOM   1161 C C     . GLY    A  1  149 ? -15.548 -23.065 14.261  1.00 90.08 149 A  1 
ATOM   1162 O O     . GLY    A  1  149 ? -14.573 -23.131 13.516  1.00 86.67 149 A  1 
ATOM   1163 N N     . ALA    A  1  150 ? -15.495 -22.551 15.469  1.00 89.67 150 A  1 
ATOM   1164 C CA    . ALA    A  1  150 ? -14.232 -22.044 15.996  1.00 90.57 150 A  1 
ATOM   1165 C C     . ALA    A  1  150 ? -13.263 -23.198 16.240  1.00 90.77 150 A  1 
ATOM   1166 O O     . ALA    A  1  150 ? -13.669 -24.297 16.611  1.00 88.28 150 A  1 
ATOM   1167 C CB    . ALA    A  1  150 ? -14.462 -21.263 17.283  1.00 89.74 150 A  1 
ATOM   1168 N N     . ALA    A  1  151 ? -11.989 -22.920 16.037  1.00 91.21 151 A  1 
ATOM   1169 C CA    . ALA    A  1  151 ? -10.974 -23.952 16.197  1.00 91.19 151 A  1 
ATOM   1170 C C     . ALA    A  1  151 ? -10.769 -24.343 17.656  1.00 91.54 151 A  1 
ATOM   1171 O O     . ALA    A  1  151 ? -10.346 -25.464 17.943  1.00 88.44 151 A  1 
ATOM   1172 C CB    . ALA    A  1  151 ? -9.658  -23.486 15.594  1.00 89.63 151 A  1 
ATOM   1173 N N     . ALA    A  1  152 ? -11.061 -23.436 18.559  1.00 91.99 152 A  1 
ATOM   1174 C CA    . ALA    A  1  152 ? -10.862 -23.715 19.976  1.00 91.92 152 A  1 
ATOM   1175 C C     . ALA    A  1  152 ? -11.709 -22.787 20.830  1.00 92.26 152 A  1 
ATOM   1176 O O     . ALA    A  1  152 ? -12.166 -21.743 20.363  1.00 89.81 152 A  1 
ATOM   1177 C CB    . ALA    A  1  152 ? -9.392  -23.569 20.345  1.00 90.35 152 A  1 
ATOM   1178 N N     . TYR    A  1  153 ? -11.898 -23.198 22.068  1.00 91.66 153 A  1 
ATOM   1179 C CA    . TYR    A  1  153 ? -12.612 -22.389 23.048  1.00 92.28 153 A  1 
ATOM   1180 C C     . TYR    A  1  153 ? -11.807 -22.375 24.339  1.00 92.44 153 A  1 
ATOM   1181 O O     . TYR    A  1  153 ? -11.436 -23.428 24.852  1.00 90.14 153 A  1 
ATOM   1182 C CB    . TYR    A  1  153 ? -14.012 -22.943 23.315  1.00 91.27 153 A  1 
ATOM   1183 C CG    . TYR    A  1  153 ? -14.703 -22.277 24.486  1.00 90.83 153 A  1 
ATOM   1184 C CD1   . TYR    A  1  153 ? -15.000 -20.921 24.458  1.00 85.42 153 A  1 
ATOM   1185 C CD2   . TYR    A  1  153 ? -15.051 -23.001 25.617  1.00 86.01 153 A  1 
ATOM   1186 C CE1   . TYR    A  1  153 ? -15.625 -20.304 25.528  1.00 85.08 153 A  1 
ATOM   1187 C CE2   . TYR    A  1  153 ? -15.677 -22.393 26.692  1.00 84.33 153 A  1 
ATOM   1188 C CZ    . TYR    A  1  153 ? -15.963 -21.042 26.643  1.00 88.17 153 A  1 
ATOM   1189 O OH    . TYR    A  1  153 ? -16.582 -20.428 27.705  1.00 87.04 153 A  1 
ATOM   1190 N N     . ILE    A  1  154 ? -11.556 -21.187 24.837  1.00 93.25 154 A  1 
ATOM   1191 C CA    . ILE    A  1  154 ? -10.763 -21.027 26.052  1.00 93.47 154 A  1 
ATOM   1192 C C     . ILE    A  1  154 ? -11.428 -20.002 26.954  1.00 93.46 154 A  1 
ATOM   1193 O O     . ILE    A  1  154 ? -11.952 -18.995 26.478  1.00 90.55 154 A  1 
ATOM   1194 C CB    . ILE    A  1  154 ? -9.325  -20.570 25.730  1.00 91.80 154 A  1 
ATOM   1195 C CG1   . ILE    A  1  154 ? -8.638  -21.582 24.815  1.00 77.80 154 A  1 
ATOM   1196 C CG2   . ILE    A  1  154 ? -8.518  -20.373 27.007  1.00 77.45 154 A  1 
ATOM   1197 C CD1   . ILE    A  1  154 ? -7.329  -21.104 24.247  1.00 74.66 154 A  1 
ATOM   1198 N N     . GLU    A  1  155 ? -11.397 -20.270 28.237  1.00 92.47 155 A  1 
ATOM   1199 C CA    . GLU    A  1  155 ? -11.905 -19.335 29.230  1.00 92.48 155 A  1 
ATOM   1200 C C     . GLU    A  1  155 ? -10.726 -18.742 29.980  1.00 92.47 155 A  1 
ATOM   1201 O O     . GLU    A  1  155 ? -9.829  -19.470 30.407  1.00 89.98 155 A  1 
ATOM   1202 C CB    . GLU    A  1  155 ? -12.858 -20.036 30.193  1.00 90.67 155 A  1 
ATOM   1203 C CG    . GLU    A  1  155 ? -14.110 -20.566 29.523  1.00 87.37 155 A  1 
ATOM   1204 C CD    . GLU    A  1  155 ? -15.026 -21.306 30.475  1.00 88.46 155 A  1 
ATOM   1205 O OE1   . GLU    A  1  155 ? -14.552 -21.731 31.546  1.00 82.76 155 A  1 
ATOM   1206 O OE2   . GLU    A  1  155 ? -16.217 -21.471 30.149  1.00 83.64 155 A  1 
ATOM   1207 N N     . CYS    A  1  156 ? -10.736 -17.444 30.135  1.00 91.64 156 A  1 
ATOM   1208 C CA    . CYS    A  1  156 ? -9.605  -16.789 30.778  1.00 91.41 156 A  1 
ATOM   1209 C C     . CYS    A  1  156 ? -10.046 -15.639 31.670  1.00 91.46 156 A  1 
ATOM   1210 O O     . CYS    A  1  156 ? -11.190 -15.187 31.615  1.00 89.10 156 A  1 
ATOM   1211 C CB    . CYS    A  1  156 ? -8.624  -16.264 29.730  1.00 89.42 156 A  1 
ATOM   1212 S SG    . CYS    A  1  156 ? -9.219  -14.829 28.812  1.00 84.87 156 A  1 
ATOM   1213 N N     . SER    A  1  157 ? -9.119  -15.192 32.479  1.00 91.67 157 A  1 
ATOM   1214 C CA    . SER    A  1  157 ? -9.330  -14.038 33.336  1.00 91.55 157 A  1 
ATOM   1215 C C     . SER    A  1  157 ? -8.106  -13.145 33.260  1.00 91.16 157 A  1 
ATOM   1216 O O     . SER    A  1  157 ? -7.001  -13.575 33.585  1.00 88.11 157 A  1 
ATOM   1217 C CB    . SER    A  1  157 ? -9.572  -14.461 34.779  1.00 90.35 157 A  1 
ATOM   1218 O OG    . SER    A  1  157 ? -9.586  -13.327 35.632  1.00 81.68 157 A  1 
ATOM   1219 N N     . SER    A  1  158 ? -8.309  -11.922 32.831  1.00 90.69 158 A  1 
ATOM   1220 C CA    . SER    A  1  158 ? -7.203  -10.976 32.783  1.00 89.95 158 A  1 
ATOM   1221 C C     . SER    A  1  158 ? -6.800  -10.542 34.185  1.00 89.51 158 A  1 
ATOM   1222 O O     . SER    A  1  158 ? -5.626  -10.274 34.439  1.00 86.27 158 A  1 
ATOM   1223 C CB    . SER    A  1  158 ? -7.580  -9.760  31.946  1.00 88.71 158 A  1 
ATOM   1224 O OG    . SER    A  1  158 ? -7.866  -10.129 30.613  1.00 79.62 158 A  1 
ATOM   1225 N N     . LYS    A  1  159 ? -7.766  -10.483 35.073  1.00 89.42 159 A  1 
ATOM   1226 C CA    . LYS    A  1  159 ? -7.484  -10.045 36.433  1.00 89.14 159 A  1 
ATOM   1227 C C     . LYS    A  1  159 ? -6.563  -11.017 37.160  1.00 88.91 159 A  1 
ATOM   1228 O O     . LYS    A  1  159 ? -5.645  -10.596 37.865  1.00 85.83 159 A  1 
ATOM   1229 C CB    . LYS    A  1  159 ? -8.789  -9.875  37.205  1.00 87.53 159 A  1 
ATOM   1230 C CG    . LYS    A  1  159 ? -8.610  -9.262  38.583  1.00 83.74 159 A  1 
ATOM   1231 C CD    . LYS    A  1  159 ? -9.943  -9.027  39.257  1.00 79.33 159 A  1 
ATOM   1232 C CE    . LYS    A  1  159 ? -9.761  -8.392  40.622  1.00 73.67 159 A  1 
ATOM   1233 N NZ    . LYS    A  1  159 ? -11.063 -8.146  41.294  1.00 66.44 159 A  1 
ATOM   1234 N N     . THR    A  1  160 ? -6.806  -12.292 36.992  1.00 89.65 160 A  1 
ATOM   1235 C CA    . THR    A  1  160 ? -5.972  -13.315 37.622  1.00 88.73 160 A  1 
ATOM   1236 C C     . THR    A  1  160 ? -4.926  -13.876 36.666  1.00 88.65 160 A  1 
ATOM   1237 O O     . THR    A  1  160 ? -4.081  -14.673 37.078  1.00 84.06 160 A  1 
ATOM   1238 C CB    . THR    A  1  160 ? -6.826  -14.473 38.145  1.00 86.95 160 A  1 
ATOM   1239 O OG1   . THR    A  1  160 ? -7.445  -15.144 37.045  1.00 76.98 160 A  1 
ATOM   1240 C CG2   . THR    A  1  160 ? -7.898  -13.972 39.099  1.00 74.66 160 A  1 
ATOM   1241 N N     . GLN    A  1  161 ? -5.004  -13.473 35.416  1.00 89.97 161 A  1 
ATOM   1242 C CA    . GLN    A  1  161 ? -4.096  -13.929 34.367  1.00 89.93 161 A  1 
ATOM   1243 C C     . GLN    A  1  161 ? -4.248  -15.417 34.049  1.00 90.63 161 A  1 
ATOM   1244 O O     . GLN    A  1  161 ? -3.375  -16.010 33.419  1.00 86.89 161 A  1 
ATOM   1245 C CB    . GLN    A  1  161 ? -2.642  -13.611 34.718  1.00 87.29 161 A  1 
ATOM   1246 C CG    . GLN    A  1  161 ? -2.365  -12.126 34.886  1.00 79.49 161 A  1 
ATOM   1247 C CD    . GLN    A  1  161 ? -0.904  -11.830 35.148  1.00 73.40 161 A  1 
ATOM   1248 O OE1   . GLN    A  1  161 ? -0.067  -12.725 35.144  1.00 65.63 161 A  1 
ATOM   1249 N NE2   . GLN    A  1  161 ? -0.588  -10.561 35.382  1.00 62.75 161 A  1 
ATOM   1250 N N     . GLN    A  1  162 ? -5.345  -16.007 34.464  1.00 90.26 162 A  1 
ATOM   1251 C CA    . GLN    A  1  162 ? -5.580  -17.418 34.186  1.00 90.42 162 A  1 
ATOM   1252 C C     . GLN    A  1  162 ? -5.872  -17.628 32.707  1.00 90.69 162 A  1 
ATOM   1253 O O     . GLN    A  1  162 ? -6.768  -17.001 32.147  1.00 87.47 162 A  1 
ATOM   1254 C CB    . GLN    A  1  162 ? -6.744  -17.947 35.022  1.00 88.74 162 A  1 
ATOM   1255 C CG    . GLN    A  1  162 ? -6.472  -17.981 36.513  1.00 80.57 162 A  1 
ATOM   1256 C CD    . GLN    A  1  162 ? -7.673  -18.437 37.314  1.00 76.75 162 A  1 
ATOM   1257 O OE1   . GLN    A  1  162 ? -8.681  -18.865 36.754  1.00 69.42 162 A  1 
ATOM   1258 N NE2   . GLN    A  1  162 ? -7.577  -18.350 38.633  1.00 66.36 162 A  1 
ATOM   1259 N N     . ASN    A  1  163 ? -5.089  -18.500 32.092  1.00 89.10 163 A  1 
ATOM   1260 C CA    . ASN    A  1  163 ? -5.263  -18.907 30.703  1.00 89.87 163 A  1 
ATOM   1261 C C     . ASN    A  1  163 ? -5.070  -17.789 29.682  1.00 90.12 163 A  1 
ATOM   1262 O O     . ASN    A  1  163 ? -5.354  -17.984 28.502  1.00 85.64 163 A  1 
ATOM   1263 C CB    . ASN    A  1  163 ? -6.633  -19.560 30.493  1.00 87.98 163 A  1 
ATOM   1264 C CG    . ASN    A  1  163 ? -6.732  -20.915 31.153  1.00 87.33 163 A  1 
ATOM   1265 O OD1   . ASN    A  1  163 ? -5.735  -21.608 31.322  1.00 77.37 163 A  1 
ATOM   1266 N ND2   . ASN    A  1  163 ? -7.946  -21.298 31.528  1.00 77.67 163 A  1 
ATOM   1267 N N     . VAL    A  1  164 ? -4.584  -16.653 30.118  1.00 90.03 164 A  1 
ATOM   1268 C CA    . VAL    A  1  164 ? -4.358  -15.568 29.162  1.00 90.05 164 A  1 
ATOM   1269 C C     . VAL    A  1  164 ? -3.271  -15.974 28.172  1.00 89.74 164 A  1 
ATOM   1270 O O     . VAL    A  1  164 ? -3.406  -15.776 26.964  1.00 87.18 164 A  1 
ATOM   1271 C CB    . VAL    A  1  164 ? -3.986  -14.265 29.884  1.00 88.92 164 A  1 
ATOM   1272 C CG1   . VAL    A  1  164 ? -3.535  -13.207 28.888  1.00 79.21 164 A  1 
ATOM   1273 C CG2   . VAL    A  1  164 ? -5.173  -13.752 30.683  1.00 79.77 164 A  1 
ATOM   1274 N N     . LYS    A  1  165 ? -2.208  -16.539 28.690  1.00 90.13 165 A  1 
ATOM   1275 C CA    . LYS    A  1  165 ? -1.143  -17.006 27.813  1.00 89.50 165 A  1 
ATOM   1276 C C     . LYS    A  1  165 ? -1.628  -18.160 26.940  1.00 90.05 165 A  1 
ATOM   1277 O O     . LYS    A  1  165 ? -1.235  -18.279 25.779  1.00 88.32 165 A  1 
ATOM   1278 C CB    . LYS    A  1  165 ? 0.069   -17.442 28.632  1.00 87.44 165 A  1 
ATOM   1279 C CG    . LYS    A  1  165 ? 1.288   -17.801 27.802  1.00 79.89 165 A  1 
ATOM   1280 C CD    . LYS    A  1  165 ? 2.465   -18.175 28.684  1.00 74.50 165 A  1 
ATOM   1281 C CE    . LYS    A  1  165 ? 3.724   -18.402 27.861  1.00 65.63 165 A  1 
ATOM   1282 N NZ    . LYS    A  1  165 ? 3.581   -19.530 26.901  1.00 58.51 165 A  1 
ATOM   1283 N N     . ALA    A  1  166 ? -2.482  -19.000 27.499  1.00 90.72 166 A  1 
ATOM   1284 C CA    . ALA    A  1  166 ? -3.011  -20.139 26.756  1.00 91.11 166 A  1 
ATOM   1285 C C     . ALA    A  1  166 ? -3.830  -19.696 25.550  1.00 91.63 166 A  1 
ATOM   1286 O O     . ALA    A  1  166 ? -3.860  -20.390 24.532  1.00 88.82 166 A  1 
ATOM   1287 C CB    . ALA    A  1  166 ? -3.856  -21.016 27.671  1.00 90.01 166 A  1 
ATOM   1288 N N     . VAL    A  1  167 ? -4.488  -18.563 25.674  1.00 90.42 167 A  1 
ATOM   1289 C CA    . VAL    A  1  167 ? -5.289  -18.046 24.564  1.00 90.60 167 A  1 
ATOM   1290 C C     . VAL    A  1  167 ? -4.424  -17.848 23.328  1.00 90.42 167 A  1 
ATOM   1291 O O     . VAL    A  1  167 ? -4.753  -18.313 22.232  1.00 88.24 167 A  1 
ATOM   1292 C CB    . VAL    A  1  167 ? -5.967  -16.722 24.949  1.00 89.90 167 A  1 
ATOM   1293 C CG1   . VAL    A  1  167 ? -6.560  -16.041 23.721  1.00 80.21 167 A  1 
ATOM   1294 C CG2   . VAL    A  1  167 ? -7.050  -16.964 25.987  1.00 81.42 167 A  1 
ATOM   1295 N N     . PHE    A  1  168 ? -3.325  -17.171 23.505  1.00 90.53 168 A  1 
ATOM   1296 C CA    . PHE    A  1  168 ? -2.496  -16.828 22.357  1.00 89.99 168 A  1 
ATOM   1297 C C     . PHE    A  1  168 ? -1.589  -17.971 21.924  1.00 90.08 168 A  1 
ATOM   1298 O O     . PHE    A  1  168 ? -1.268  -18.084 20.740  1.00 86.96 168 A  1 
ATOM   1299 C CB    . PHE    A  1  168 ? -1.716  -15.559 22.664  1.00 88.66 168 A  1 
ATOM   1300 C CG    . PHE    A  1  168 ? -2.610  -14.385 22.936  1.00 87.99 168 A  1 
ATOM   1301 C CD1   . PHE    A  1  168 ? -3.190  -13.692 21.890  1.00 81.31 168 A  1 
ATOM   1302 C CD2   . PHE    A  1  168 ? -2.908  -14.007 24.232  1.00 81.52 168 A  1 
ATOM   1303 C CE1   . PHE    A  1  168 ? -4.044  -12.634 22.135  1.00 80.17 168 A  1 
ATOM   1304 C CE2   . PHE    A  1  168 ? -3.764  -12.948 24.480  1.00 78.90 168 A  1 
ATOM   1305 C CZ    . PHE    A  1  168 ? -4.330  -12.259 23.427  1.00 82.89 168 A  1 
ATOM   1306 N N     . ASP    A  1  169 ? -1.211  -18.809 22.859  1.00 89.93 169 A  1 
ATOM   1307 C CA    . ASP    A  1  169 ? -0.479  -20.013 22.470  1.00 89.49 169 A  1 
ATOM   1308 C C     . ASP    A  1  169 ? -1.357  -20.896 21.590  1.00 89.98 169 A  1 
ATOM   1309 O O     . ASP    A  1  169 ? -0.896  -21.449 20.588  1.00 87.97 169 A  1 
ATOM   1310 C CB    . ASP    A  1  169 ? -0.029  -20.797 23.703  1.00 87.66 169 A  1 
ATOM   1311 C CG    . ASP    A  1  169 ? 1.138   -20.141 24.423  1.00 83.80 169 A  1 
ATOM   1312 O OD1   . ASP    A  1  169 ? 1.754   -19.218 23.859  1.00 76.49 169 A  1 
ATOM   1313 O OD2   . ASP    A  1  169 ? 1.440   -20.565 25.556  1.00 76.56 169 A  1 
ATOM   1314 N N     . THR    A  1  170 ? -2.617  -21.010 21.965  1.00 90.18 170 A  1 
ATOM   1315 C CA    . THR    A  1  170 ? -3.554  -21.805 21.178  1.00 90.46 170 A  1 
ATOM   1316 C C     . THR    A  1  170 ? -3.777  -21.176 19.808  1.00 90.76 170 A  1 
ATOM   1317 O O     . THR    A  1  170 ? -3.851  -21.878 18.797  1.00 88.62 170 A  1 
ATOM   1318 C CB    . THR    A  1  170 ? -4.892  -21.950 21.912  1.00 89.71 170 A  1 
ATOM   1319 O OG1   . THR    A  1  170 ? -4.678  -22.601 23.166  1.00 78.52 170 A  1 
ATOM   1320 C CG2   . THR    A  1  170 ? -5.882  -22.759 21.087  1.00 76.62 170 A  1 
ATOM   1321 N N     . ALA    A  1  171 ? -3.890  -19.868 19.792  1.00 90.66 171 A  1 
ATOM   1322 C CA    . ALA    A  1  171 ? -4.076  -19.171 18.523  1.00 90.53 171 A  1 
ATOM   1323 C C     . ALA    A  1  171 ? -2.918  -19.460 17.573  1.00 90.49 171 A  1 
ATOM   1324 O O     . ALA    A  1  171 ? -3.125  -19.720 16.384  1.00 88.37 171 A  1 
ATOM   1325 C CB    . ALA    A  1  171 ? -4.207  -17.674 18.763  1.00 89.89 171 A  1 
ATOM   1326 N N     . ILE    A  1  172 ? -1.719  -19.430 18.095  1.00 90.08 172 A  1 
ATOM   1327 C CA    . ILE    A  1  172 ? -0.546  -19.718 17.273  1.00 89.51 172 A  1 
ATOM   1328 C C     . ILE    A  1  172 ? -0.589  -21.157 16.766  1.00 88.93 172 A  1 
ATOM   1329 O O     . ILE    A  1  172 ? -0.317  -21.420 15.591  1.00 86.80 172 A  1 
ATOM   1330 C CB    . ILE    A  1  172 ? 0.748   -19.460 18.064  1.00 88.36 172 A  1 
ATOM   1331 C CG1   . ILE    A  1  172 ? 0.899   -17.962 18.349  1.00 82.02 172 A  1 
ATOM   1332 C CG2   . ILE    A  1  172 ? 1.956   -19.983 17.301  1.00 81.50 172 A  1 
ATOM   1333 C CD1   . ILE    A  1  172 ? 1.948   -17.634 19.384  1.00 77.86 172 A  1 
ATOM   1334 N N     . LYS    A  1  173 ? -0.935  -22.074 17.640  1.00 89.91 173 A  1 
ATOM   1335 C CA    . LYS    A  1  173 ? -1.000  -23.481 17.248  1.00 89.38 173 A  1 
ATOM   1336 C C     . LYS    A  1  173 ? -2.026  -23.708 16.148  1.00 89.21 173 A  1 
ATOM   1337 O O     . LYS    A  1  173 ? -1.798  -24.503 15.236  1.00 86.60 173 A  1 
ATOM   1338 C CB    . LYS    A  1  173 ? -1.334  -24.357 18.454  1.00 88.09 173 A  1 
ATOM   1339 C CG    . LYS    A  1  173 ? -0.228  -24.444 19.489  1.00 81.57 173 A  1 
ATOM   1340 C CD    . LYS    A  1  173 ? -0.641  -25.309 20.663  1.00 77.00 173 A  1 
ATOM   1341 C CE    . LYS    A  1  173 ? 0.440   -25.346 21.731  1.00 68.85 173 A  1 
ATOM   1342 N NZ    . LYS    A  1  173 ? 0.047   -26.181 22.898  1.00 61.60 173 A  1 
ATOM   1343 N N     . VAL    A  1  174 ? -3.146  -23.024 16.241  1.00 89.16 174 A  1 
ATOM   1344 C CA    . VAL    A  1  174 ? -4.189  -23.172 15.229  1.00 88.89 174 A  1 
ATOM   1345 C C     . VAL    A  1  174 ? -3.676  -22.719 13.867  1.00 88.45 174 A  1 
ATOM   1346 O O     . VAL    A  1  174 ? -3.935  -23.363 12.847  1.00 85.68 174 A  1 
ATOM   1347 C CB    . VAL    A  1  174 ? -5.449  -22.384 15.623  1.00 88.43 174 A  1 
ATOM   1348 C CG1   . VAL    A  1  174 ? -6.432  -22.315 14.461  1.00 80.39 174 A  1 
ATOM   1349 C CG2   . VAL    A  1  174 ? -6.117  -23.026 16.829  1.00 81.08 174 A  1 
ATOM   1350 N N     . VAL    A  1  175 ? -2.964  -21.625 13.856  1.00 88.83 175 A  1 
ATOM   1351 C CA    . VAL    A  1  175 ? -2.432  -21.111 12.593  1.00 87.93 175 A  1 
ATOM   1352 C C     . VAL    A  1  175 ? -1.419  -22.081 11.997  1.00 86.45 175 A  1 
ATOM   1353 O O     . VAL    A  1  175 ? -1.388  -22.297 10.781  1.00 82.54 175 A  1 
ATOM   1354 C CB    . VAL    A  1  175 ? -1.791  -19.730 12.790  1.00 87.33 175 A  1 
ATOM   1355 C CG1   . VAL    A  1  175 ? -1.078  -19.279 11.521  1.00 78.79 175 A  1 
ATOM   1356 C CG2   . VAL    A  1  175 ? -2.844  -18.712 13.185  1.00 80.20 175 A  1 
ATOM   1357 N N     . LEU    A  1  176 ? -0.602  -22.661 12.844  1.00 87.16 176 A  1 
ATOM   1358 C CA    . LEU    A  1  176 ? 0.425   -23.583 12.372  1.00 85.10 176 A  1 
ATOM   1359 C C     . LEU    A  1  176 ? -0.136  -24.954 12.008  1.00 82.36 176 A  1 
ATOM   1360 O O     . LEU    A  1  176 ? 0.551   -25.750 11.364  1.00 75.91 176 A  1 
ATOM   1361 C CB    . LEU    A  1  176 ? 1.513   -23.738 13.429  1.00 83.45 176 A  1 
ATOM   1362 C CG    . LEU    A  1  176 ? 2.288   -22.469 13.788  1.00 80.60 176 A  1 
ATOM   1363 C CD1   . LEU    A  1  176 ? 3.234   -22.730 14.945  1.00 74.63 176 A  1 
ATOM   1364 C CD2   . LEU    A  1  176 ? 3.050   -21.944 12.582  1.00 74.60 176 A  1 
ATOM   1365 N N     . GLN    A  1  177 ? -1.345  -25.215 12.415  1.00 82.77 177 A  1 
ATOM   1366 C CA    . GLN    A  1  177 ? -1.985  -26.489 12.111  1.00 79.32 177 A  1 
ATOM   1367 C C     . GLN    A  1  177 ? -2.281  -26.620 10.628  1.00 77.31 177 A  1 
ATOM   1368 O O     . GLN    A  1  177 ? -2.603  -25.634 9.968   1.00 68.72 177 A  1 
ATOM   1369 C CB    . GLN    A  1  177 ? -3.294  -26.622 12.878  1.00 74.37 177 A  1 
ATOM   1370 C CG    . GLN    A  1  177 ? -3.298  -27.668 13.953  1.00 65.47 177 A  1 
ATOM   1371 C CD    . GLN    A  1  177 ? -4.620  -27.736 14.675  1.00 60.86 177 A  1 
ATOM   1372 O OE1   . GLN    A  1  177 ? -5.011  -26.798 15.369  1.00 54.73 177 A  1 
ATOM   1373 N NE2   . GLN    A  1  177 ? -5.325  -28.841 14.507  1.00 52.38 177 A  1 
ATOM   1374 N N     . PRO    A  1  178 ? -2.202  -27.829 10.104  1.00 69.25 178 A  1 
ATOM   1375 C CA    . PRO    A  1  178 ? -2.575  -28.025 8.704   1.00 65.37 178 A  1 
ATOM   1376 C C     . PRO    A  1  178 ? -4.069  -27.778 8.506   1.00 64.47 178 A  1 
ATOM   1377 O O     . PRO    A  1  178 ? -4.882  -28.230 9.307   1.00 58.39 178 A  1 
ATOM   1378 C CB    . PRO    A  1  178 ? -2.217  -29.487 8.443   1.00 58.96 178 A  1 
ATOM   1379 C CG    . PRO    A  1  178 ? -2.217  -30.127 9.779   1.00 55.66 178 A  1 
ATOM   1380 C CD    . PRO    A  1  178 ? -1.748  -29.079 10.734  1.00 58.17 178 A  1 
ATOM   1381 N N     . PRO    A  1  179 ? -4.428  -27.077 7.454   1.00 60.68 179 A  1 
ATOM   1382 C CA    . PRO    A  1  179 ? -5.840  -26.777 7.214   1.00 57.84 179 A  1 
ATOM   1383 C C     . PRO    A  1  179 ? -6.629  -28.031 6.846   1.00 57.68 179 A  1 
ATOM   1384 O O     . PRO    A  1  179 ? -6.228  -28.792 5.971   1.00 52.79 179 A  1 
ATOM   1385 C CB    . PRO    A  1  179 ? -5.791  -25.796 6.041   1.00 51.85 179 A  1 
ATOM   1386 C CG    . PRO    A  1  179 ? -4.533  -26.133 5.322   1.00 49.17 179 A  1 
ATOM   1387 C CD    . PRO    A  1  179 ? -3.559  -26.549 6.385   1.00 50.66 179 A  1 
ATOM   1388 N N     . ARG    A  1  180 ? -7.746  -28.224 7.509   1.00 61.56 180 A  1 
ATOM   1389 C CA    . ARG    A  1  180 ? -8.560  -29.410 7.254   1.00 60.76 180 A  1 
ATOM   1390 C C     . ARG    A  1  180 ? -10.055 -29.110 7.229   1.00 59.93 180 A  1 
ATOM   1391 O O     . ARG    A  1  180 ? -10.804 -29.755 6.500   1.00 56.02 180 A  1 
ATOM   1392 C CB    . ARG    A  1  180 ? -8.271  -30.472 8.308   1.00 56.49 180 A  1 
ATOM   1393 C CG    . ARG    A  1  180 ? -8.893  -31.828 7.996   1.00 51.62 180 A  1 
ATOM   1394 C CD    . ARG    A  1  180 ? -8.216  -32.481 6.817   1.00 48.83 180 A  1 
ATOM   1395 N NE    . ARG    A  1  180 ? -8.851  -33.741 6.432   1.00 44.26 180 A  1 
ATOM   1396 C CZ    . ARG    A  1  180 ? -9.880  -33.843 5.596   1.00 39.98 180 A  1 
ATOM   1397 N NH1   . ARG    A  1  180 ? -10.403 -32.756 5.048   1.00 37.94 180 A  1 
ATOM   1398 N NH2   . ARG    A  1  180 ? -10.382 -35.029 5.318   1.00 35.46 180 A  1 
ATOM   1399 N N     . ARG    A  1  181 ? -10.480 -28.150 8.005   1.00 58.52 181 A  1 
ATOM   1400 C CA    . ARG    A  1  181 ? -11.894 -27.809 8.111   1.00 57.80 181 A  1 
ATOM   1401 C C     . ARG    A  1  181 ? -12.188 -26.419 7.537   1.00 57.44 181 A  1 
ATOM   1402 O O     . ARG    A  1  181 ? -12.965 -25.656 8.096   1.00 54.15 181 A  1 
ATOM   1403 C CB    . ARG    A  1  181 ? -12.343 -27.886 9.570   1.00 53.62 181 A  1 
ATOM   1404 C CG    . ARG    A  1  181 ? -11.587 -26.966 10.506  1.00 49.33 181 A  1 
ATOM   1405 C CD    . ARG    A  1  181 ? -12.050 -27.137 11.944  1.00 46.69 181 A  1 
ATOM   1406 N NE    . ARG    A  1  181 ? -11.703 -28.447 12.474  1.00 42.57 181 A  1 
ATOM   1407 C CZ    . ARG    A  1  181 ? -10.504 -28.791 12.920  1.00 38.60 181 A  1 
ATOM   1408 N NH1   . ARG    A  1  181 ? -9.507  -27.918 12.895  1.00 37.49 181 A  1 
ATOM   1409 N NH2   . ARG    A  1  181 ? -10.306 -30.006 13.388  1.00 34.88 181 A  1 
ATOM   1410 N N     . LYS    A  1  182 ? -11.561 -26.139 6.441   1.00 56.65 182 A  1 
ATOM   1411 C CA    . LYS    A  1  182 ? -11.712 -24.834 5.797   1.00 56.79 182 A  1 
ATOM   1412 C C     . LYS    A  1  182 ? -11.376 -23.690 6.756   1.00 56.52 182 A  1 
ATOM   1413 O O     . LYS    A  1  182 ? -12.073 -22.675 6.803   1.00 53.21 182 A  1 
ATOM   1414 C CB    . LYS    A  1  182 ? -13.122 -24.653 5.243   1.00 53.28 182 A  1 
ATOM   1415 C CG    . LYS    A  1  182 ? -13.401 -25.514 4.021   1.00 49.44 182 A  1 
ATOM   1416 C CD    . LYS    A  1  182 ? -14.712 -25.127 3.378   1.00 46.04 182 A  1 
ATOM   1417 C CE    . LYS    A  1  182 ? -14.932 -25.903 2.090   1.00 41.41 182 A  1 
ATOM   1418 N NZ    . LYS    A  1  182 ? -16.189 -25.499 1.413   1.00 38.17 182 A  1 
ATOM   1419 N N     . GLU    A  1  183 ? -10.323 -23.866 7.491   1.00 54.19 183 A  1 
ATOM   1420 C CA    . GLU    A  1  183 ? -9.808  -22.829 8.376   1.00 54.02 183 A  1 
ATOM   1421 C C     . GLU    A  1  183 ? -8.511  -22.265 7.817   1.00 53.09 183 A  1 
ATOM   1422 O O     . GLU    A  1  183 ? -7.663  -21.778 8.561   1.00 50.45 183 A  1 
ATOM   1423 C CB    . GLU    A  1  183 ? -9.587  -23.381 9.779   1.00 50.81 183 A  1 
ATOM   1424 C CG    . GLU    A  1  183 ? -10.867 -23.701 10.516  1.00 46.96 183 A  1 
ATOM   1425 C CD    . GLU    A  1  183 ? -10.628 -24.162 11.939  1.00 44.25 183 A  1 
ATOM   1426 O OE1   . GLU    A  1  183 ? -9.457  -24.381 12.298  1.00 41.70 183 A  1 
ATOM   1427 O OE2   . GLU    A  1  183 ? -11.608 -24.300 12.686  1.00 41.83 183 A  1 
ATOM   1428 N N     . VAL    A  1  184 ? -8.380  -22.352 6.529   1.00 52.07 184 A  1 
ATOM   1429 C CA    . VAL    A  1  184 ? -7.178  -21.843 5.879   1.00 52.92 184 A  1 
ATOM   1430 C C     . VAL    A  1  184 ? -7.086  -20.334 6.078   1.00 52.35 184 A  1 
ATOM   1431 O O     . VAL    A  1  184 ? -8.102  -19.664 6.259   1.00 49.04 184 A  1 
ATOM   1432 C CB    . VAL    A  1  184 ? -7.180  -22.149 4.381   1.00 49.44 184 A  1 
ATOM   1433 C CG1   . VAL    A  1  184 ? -7.247  -23.649 4.161   1.00 44.57 184 A  1 
ATOM   1434 C CG2   . VAL    A  1  184 ? -8.332  -21.456 3.687   1.00 44.66 184 A  1 
ATOM   1435 N N     . PRO    A  1  185 ? -5.893  -19.804 6.047   1.00 52.00 185 A  1 
ATOM   1436 C CA    . PRO    A  1  185 ? -5.743  -18.353 6.149   1.00 52.49 185 A  1 
ATOM   1437 C C     . PRO    A  1  185 ? -6.461  -17.655 5.005   1.00 52.21 185 A  1 
ATOM   1438 O O     . PRO    A  1  185 ? -6.773  -18.281 3.995   1.00 49.73 185 A  1 
ATOM   1439 C CB    . PRO    A  1  185 ? -4.231  -18.147 6.052   1.00 50.13 185 A  1 
ATOM   1440 C CG    . PRO    A  1  185 ? -3.650  -19.452 6.445   1.00 48.90 185 A  1 
ATOM   1441 C CD    . PRO    A  1  185 ? -4.618  -20.491 5.993   1.00 50.90 185 A  1 
ATOM   1442 N N     . ARG    A  1  186 ? -6.708  -16.412 5.212   1.00 52.43 186 A  1 
ATOM   1443 C CA    . ARG    A  1  186 ? -7.454  -15.560 4.282   1.00 53.94 186 A  1 
ATOM   1444 C C     . ARG    A  1  186 ? -7.296  -15.900 2.799   1.00 52.87 186 A  1 
ATOM   1445 O O     . ARG    A  1  186 ? -6.452  -15.340 2.109   1.00 49.74 186 A  1 
ATOM   1446 C CB    . ARG    A  1  186 ? -7.024  -14.123 4.512   1.00 51.15 186 A  1 
ATOM   1447 C CG    . ARG    A  1  186 ? -7.983  -13.098 3.973   1.00 47.61 186 A  1 
ATOM   1448 C CD    . ARG    A  1  186 ? -7.552  -11.737 4.443   1.00 45.28 186 A  1 
ATOM   1449 N NE    . ARG    A  1  186 ? -8.616  -10.756 4.296   1.00 41.36 186 A  1 
ATOM   1450 C CZ    . ARG    A  1  186 ? -8.595  -9.548  4.832   1.00 38.91 186 A  1 
ATOM   1451 N NH1   . ARG    A  1  186 ? -7.550  -9.155  5.535   1.00 37.14 186 A  1 
ATOM   1452 N NH2   . ARG    A  1  186 ? -9.615  -8.735  4.663   1.00 34.95 186 A  1 
ATOM   1453 N N     . ARG    A  1  187 ? -8.131  -16.788 2.346   1.00 50.89 187 A  1 
ATOM   1454 C CA    . ARG    A  1  187 ? -8.224  -17.163 0.936   1.00 53.24 187 A  1 
ATOM   1455 C C     . ARG    A  1  187 ? -6.914  -17.616 0.294   1.00 52.00 187 A  1 
ATOM   1456 O O     . ARG    A  1  187 ? -6.866  -17.793 -0.920  1.00 49.50 187 A  1 
ATOM   1457 C CB    . ARG    A  1  187 ? -8.800  -16.008 0.117   1.00 50.35 187 A  1 
ATOM   1458 C CG    . ARG    A  1  187 ? -10.198 -15.596 0.510   1.00 46.69 187 A  1 
ATOM   1459 C CD    . ARG    A  1  187 ? -11.208 -16.654 0.140   1.00 44.74 187 A  1 
ATOM   1460 N NE    . ARG    A  1  187 ? -11.287 -16.881 -1.290  1.00 41.02 187 A  1 
ATOM   1461 C CZ    . ARG    A  1  187 ? -12.142 -17.703 -1.887  1.00 38.49 187 A  1 
ATOM   1462 N NH1   . ARG    A  1  187 ? -13.012 -18.388 -1.162  1.00 36.80 187 A  1 
ATOM   1463 N NH2   . ARG    A  1  187 ? -12.127 -17.850 -3.196  1.00 35.02 187 A  1 
ATOM   1464 N N     . ARG    A  1  188 ? -5.904  -17.794 1.101   1.00 49.92 188 A  1 
ATOM   1465 C CA    . ARG    A  1  188 ? -4.604  -18.250 0.603   1.00 51.95 188 A  1 
ATOM   1466 C C     . ARG    A  1  188 ? -4.135  -17.422 -0.596  1.00 50.33 188 A  1 
ATOM   1467 O O     . ARG    A  1  188 ? -4.213  -17.858 -1.742  1.00 47.29 188 A  1 
ATOM   1468 C CB    . ARG    A  1  188 ? -4.688  -19.728 0.226   1.00 49.68 188 A  1 
ATOM   1469 C CG    . ARG    A  1  188 ? -3.350  -20.330 -0.130  1.00 46.12 188 A  1 
ATOM   1470 C CD    . ARG    A  1  188 ? -3.434  -21.829 -0.312  1.00 43.35 188 A  1 
ATOM   1471 N NE    . ARG    A  1  188 ? -3.723  -22.512 0.941   1.00 40.15 188 A  1 
ATOM   1472 C CZ    . ARG    A  1  188 ? -3.867  -23.831 1.062   1.00 37.39 188 A  1 
ATOM   1473 N NH1   . ARG    A  1  188 ? -3.743  -24.616 0.007   1.00 35.52 188 A  1 
ATOM   1474 N NH2   . ARG    A  1  188 ? -4.133  -24.362 2.242   1.00 33.98 188 A  1 
ATOM   1475 N N     . LYS    A  1  189 ? -3.663  -16.260 -0.288  1.00 50.56 189 A  1 
ATOM   1476 C CA    . LYS    A  1  189 ? -3.241  -15.323 -1.324  1.00 51.84 189 A  1 
ATOM   1477 C C     . LYS    A  1  189 ? -1.939  -15.712 -2.015  1.00 50.65 189 A  1 
ATOM   1478 O O     . LYS    A  1  189 ? -1.529  -15.050 -2.962  1.00 47.33 189 A  1 
ATOM   1479 C CB    . LYS    A  1  189 ? -3.096  -13.927 -0.722  1.00 49.38 189 A  1 
ATOM   1480 C CG    . LYS    A  1  189 ? -4.327  -13.418 -0.011  1.00 46.11 189 A  1 
ATOM   1481 C CD    . LYS    A  1  189 ? -5.501  -13.264 -0.950  1.00 43.72 189 A  1 
ATOM   1482 C CE    . LYS    A  1  189 ? -5.270  -12.181 -1.978  1.00 39.67 189 A  1 
ATOM   1483 N NZ    . LYS    A  1  189 ? -6.454  -11.957 -2.838  1.00 38.44 189 A  1 
ATOM   1484 N N     . ASN    A  1  190 ? -1.308  -16.742 -1.535  1.00 56.45 190 A  1 
ATOM   1485 C CA    . ASN    A  1  190 ? -0.021  -17.152 -2.091  1.00 58.40 190 A  1 
ATOM   1486 C C     . ASN    A  1  190 ? -0.074  -17.519 -3.571  1.00 58.44 190 A  1 
ATOM   1487 O O     . ASN    A  1  190 ? 0.855   -17.219 -4.315  1.00 53.52 190 A  1 
ATOM   1488 C CB    . ASN    A  1  190 ? 0.529   -18.329 -1.295  1.00 54.25 190 A  1 
ATOM   1489 C CG    . ASN    A  1  190 ? 0.863   -17.955 0.129   1.00 49.16 190 A  1 
ATOM   1490 O OD1   . ASN    A  1  190 ? 0.028   -18.080 1.017   1.00 45.85 190 A  1 
ATOM   1491 N ND2   . ASN    A  1  190 ? 2.075   -17.478 0.342   1.00 45.52 190 A  1 
ATOM   1492 N N     . HIS    A  1  191 ? -1.140  -18.170 -3.978  1.00 57.18 191 A  1 
ATOM   1493 C CA    . HIS    A  1  191 ? -1.247  -18.594 -5.366  1.00 57.57 191 A  1 
ATOM   1494 C C     . HIS    A  1  191 ? -1.588  -17.450 -6.307  1.00 54.89 191 A  1 
ATOM   1495 O O     . HIS    A  1  191 ? -1.202  -17.474 -7.470  1.00 52.35 191 A  1 
ATOM   1496 C CB    . HIS    A  1  191 ? -2.284  -19.706 -5.501  1.00 55.54 191 A  1 
ATOM   1497 C CG    . HIS    A  1  191 ? -3.677  -19.284 -5.152  1.00 52.49 191 A  1 
ATOM   1498 N ND1   . HIS    A  1  191 ? -4.475  -18.578 -6.004  1.00 47.78 191 A  1 
ATOM   1499 C CD2   . HIS    A  1  191 ? -4.395  -19.476 -4.031  1.00 47.74 191 A  1 
ATOM   1500 C CE1   . HIS    A  1  191 ? -5.640  -18.339 -5.415  1.00 46.55 191 A  1 
ATOM   1501 N NE2   . HIS    A  1  191 ? -5.617  -18.877 -4.216  1.00 45.99 191 A  1 
ATOM   1502 N N     . ARG    A  1  192 ? -2.312  -16.481 -5.800  1.00 51.65 192 A  1 
ATOM   1503 C CA    . ARG    A  1  192 ? -2.738  -15.369 -6.638  1.00 54.68 192 A  1 
ATOM   1504 C C     . ARG    A  1  192 ? -2.172  -14.059 -6.120  1.00 53.02 192 A  1 
ATOM   1505 O O     . ARG    A  1  192 ? -2.575  -13.575 -5.067  1.00 49.38 192 A  1 
ATOM   1506 C CB    . ARG    A  1  192 ? -4.260  -15.298 -6.681  1.00 52.20 192 A  1 
ATOM   1507 C CG    . ARG    A  1  192 ? -4.797  -14.247 -7.620  1.00 48.40 192 A  1 
ATOM   1508 C CD    . ARG    A  1  192 ? -6.304  -14.314 -7.695  1.00 45.75 192 A  1 
ATOM   1509 N NE    . ARG    A  1  192 ? -6.920  -13.941 -6.431  1.00 41.88 192 A  1 
ATOM   1510 C CZ    . ARG    A  1  192 ? -7.410  -12.748 -6.147  1.00 39.46 192 A  1 
ATOM   1511 N NH1   . ARG    A  1  192 ? -7.367  -11.777 -7.050  1.00 37.49 192 A  1 
ATOM   1512 N NH2   . ARG    A  1  192 ? -7.942  -12.520 -4.961  1.00 36.06 192 A  1 
ATOM   1513 N N     . ARG    A  1  193 ? -1.281  -13.513 -6.875  1.00 51.16 193 A  1 
ATOM   1514 C CA    . ARG    A  1  193 ? -0.670  -12.247 -6.493  1.00 54.67 193 A  1 
ATOM   1515 C C     . ARG    A  1  193 ? -1.415  -11.084 -7.121  1.00 53.99 193 A  1 
ATOM   1516 O O     . ARG    A  1  193 ? -1.443  -10.949 -8.341  1.00 50.26 193 A  1 
ATOM   1517 C CB    . ARG    A  1  193 ? 0.794   -12.220 -6.901  1.00 52.25 193 A  1 
ATOM   1518 C CG    . ARG    A  1  193 ? 1.686   -12.940 -5.930  1.00 48.77 193 A  1 
ATOM   1519 C CD    . ARG    A  1  193 ? 3.137   -12.888 -6.350  1.00 46.68 193 A  1 
ATOM   1520 N NE    . ARG    A  1  193 ? 3.500   -14.002 -7.209  1.00 42.49 193 A  1 
ATOM   1521 C CZ    . ARG    A  1  193 ? 4.741   -14.271 -7.605  1.00 39.32 193 A  1 
ATOM   1522 N NH1   . ARG    A  1  193 ? 5.740   -13.490 -7.231  1.00 36.48 193 A  1 
ATOM   1523 N NH2   . ARG    A  1  193 ? 4.978   -15.323 -8.366  1.00 35.21 193 A  1 
ATOM   1524 N N     . SER    A  1  194 ? -2.000  -10.291 -6.287  1.00 57.40 194 A  1 
ATOM   1525 C CA    . SER    A  1  194 ? -2.729  -9.129  -6.764  1.00 60.86 194 A  1 
ATOM   1526 C C     . SER    A  1  194 ? -1.761  -8.055  -7.215  1.00 61.57 194 A  1 
ATOM   1527 O O     . SER    A  1  194 ? -0.719  -7.849  -6.598  1.00 55.62 194 A  1 
ATOM   1528 C CB    . SER    A  1  194 ? -3.633  -8.590  -5.669  1.00 56.66 194 A  1 
ATOM   1529 O OG    . SER    A  1  194 ? -4.340  -7.469  -6.126  1.00 50.47 194 A  1 
ATOM   1530 N N     . GLY    A  1  195 ? -2.144  -7.387  -8.267  1.00 60.94 195 A  1 
ATOM   1531 C CA    . GLY    A  1  195 ? -1.299  -6.342  -8.765  1.00 64.49 195 A  1 
ATOM   1532 C C     . GLY    A  1  195 ? -2.050  -5.057  -8.850  1.00 65.46 195 A  1 
ATOM   1533 O O     . GLY    A  1  195 ? -3.249  -5.024  -8.645  1.00 59.59 195 A  1 
ATOM   1534 N N     . CYS    A  1  196 ? -1.393  -3.936  -9.149  1.00 64.64 196 A  1 
ATOM   1535 C CA    . CYS    A  1  196 ? -1.875  -2.756  -9.293  1.00 69.92 196 A  1 
ATOM   1536 C C     . CYS    A  1  196 ? -1.623  -2.053  -9.825  1.00 66.90 196 A  1 
ATOM   1537 O O     . CYS    A  1  196 ? -1.241  -2.366  -9.531  1.00 61.18 196 A  1 
ATOM   1538 C CB    . CYS    A  1  196 ? -1.975  -1.706  -8.965  1.00 65.77 196 A  1 
ATOM   1539 S SG    . CYS    A  1  196 ? -1.888  -0.833  -9.604  1.00 63.83 196 A  1 
ATOM   1540 O OXT   . CYS    A  1  196 ? -1.830  -1.216  -9.946  1.00 61.57 196 A  1 
HETATM 1541 P PG    . GTP    B  2  .   ? -13.738 -1.819  24.503  1.00 71.66 1   B  1 
HETATM 1542 O O1G   . GTP    B  2  .   ? -14.564 -0.763  24.966  1.00 63.59 1   B  1 
HETATM 1543 O O2G   . GTP    B  2  .   ? -14.285 -2.633  23.447  1.00 64.31 1   B  1 
HETATM 1544 O O3G   . GTP    B  2  .   ? -12.362 -1.405  24.237  1.00 64.63 1   B  1 
HETATM 1545 O O3B   . GTP    B  2  .   ? -13.612 -2.764  25.728  1.00 71.94 1   B  1 
HETATM 1546 P PB    . GTP    B  2  .   ? -12.789 -4.086  25.946  1.00 69.30 1   B  1 
HETATM 1547 O O1B   . GTP    B  2  .   ? -13.499 -5.193  25.407  1.00 63.60 1   B  1 
HETATM 1548 O O2B   . GTP    B  2  .   ? -11.419 -3.896  25.566  1.00 64.85 1   B  1 
HETATM 1549 O O3A   . GTP    B  2  .   ? -12.855 -4.208  27.484  1.00 71.36 1   B  1 
HETATM 1550 P PA    . GTP    B  2  .   ? -11.813 -3.695  28.545  1.00 68.52 1   B  1 
HETATM 1551 O O1A   . GTP    B  2  .   ? -11.701 -2.276  28.442  1.00 63.64 1   B  1 
HETATM 1552 O O2A   . GTP    B  2  .   ? -10.628 -4.491  28.445  1.00 59.48 1   B  1 
HETATM 1553 O "O5'" . GTP    B  2  .   ? -12.501 -4.070  29.881  1.00 70.34 1   B  1 
HETATM 1554 C "C5'" . GTP    B  2  .   ? -13.760 -3.606  30.217  1.00 75.51 1   B  1 
HETATM 1555 C "C4'" . GTP    B  2  .   ? -14.006 -3.699  31.691  1.00 72.25 1   B  1 
HETATM 1556 O "O4'" . GTP    B  2  .   ? -13.981 -5.052  32.076  1.00 75.24 1   B  1 
HETATM 1557 C "C3'" . GTP    B  2  .   ? -12.949 -3.007  32.487  1.00 75.54 1   B  1 
HETATM 1558 O "O3'" . GTP    B  2  .   ? -13.571 -2.300  33.513  1.00 72.47 1   B  1 
HETATM 1559 C "C2'" . GTP    B  2  .   ? -12.112 -4.103  33.043  1.00 74.61 1   B  1 
HETATM 1560 O "O2'" . GTP    B  2  .   ? -11.578 -3.797  34.268  1.00 72.91 1   B  1 
HETATM 1561 C "C1'" . GTP    B  2  .   ? -13.073 -5.245  33.138  1.00 73.14 1   B  1 
HETATM 1562 N N9    . GTP    B  2  .   ? -12.387 -6.492  32.946  1.00 77.12 1   B  1 
HETATM 1563 C C8    . GTP    B  2  .   ? -11.697 -6.876  31.865  1.00 76.08 1   B  1 
HETATM 1564 N N7    . GTP    B  2  .   ? -11.197 -8.075  31.999  1.00 78.27 1   B  1 
HETATM 1565 C C5    . GTP    B  2  .   ? -11.575 -8.475  33.221  1.00 79.08 1   B  1 
HETATM 1566 C C6    . GTP    B  2  .   ? -11.355 -9.667  33.956  1.00 80.21 1   B  1 
HETATM 1567 O O6    . GTP    B  2  .   ? -10.733 -10.592 33.546  1.00 78.41 1   B  1 
HETATM 1568 N N1    . GTP    B  2  .   ? -11.907 -9.732  35.193  1.00 78.63 1   B  1 
HETATM 1569 C C2    . GTP    B  2  .   ? -12.617 -8.710  35.695  1.00 78.94 1   B  1 
HETATM 1570 N N2    . GTP    B  2  .   ? -13.094 -8.866  36.880  1.00 75.58 1   B  1 
HETATM 1571 N N3    . GTP    B  2  .   ? -12.856 -7.585  35.051  1.00 76.03 1   B  1 
HETATM 1572 C C4    . GTP    B  2  .   ? -12.330 -7.466  33.810  1.00 77.48 1   B  1 
HETATM 1573 C C1    . GER    C  3  .   ? -1.831  0.737   -10.414 1.00 25.08 1   C  1 
HETATM 1574 C C2    . GER    C  3  .   ? -1.504  1.802   -10.925 1.00 16.16 1   C  1 
HETATM 1575 C C3    . GER    C  3  .   ? -0.524  2.431   -11.247 1.00 11.19 1   C  1 
HETATM 1576 C C4    . GER    C  3  .   ? 0.726   1.875   -10.925 1.00 7.40  1   C  1 
HETATM 1577 C C5    . GER    C  3  .   ? -0.447  3.559   -11.833 1.00 8.33  1   C  1 
HETATM 1578 C C6    . GER    C  3  .   ? -0.827  4.340   -12.323 1.00 5.72  1   C  1 
HETATM 1579 C C7    . GER    C  3  .   ? -0.568  5.386   -12.850 1.00 4.94  1   C  1 
HETATM 1580 C C8    . GER    C  3  .   ? -1.096  6.321   -13.212 1.00 5.21  1   C  1 
HETATM 1581 C C9    . GER    C  3  .   ? -2.499  6.370   -12.976 1.00 4.17  1   C  1 
HETATM 1582 C C10   . GER    C  3  .   ? -0.573  7.328   -13.725 1.00 4.65  1   C  1 
HETATM 1583 C C11   . GER    C  3  .   ? -0.751  8.251   -14.318 1.00 3.91  1   C  1 
HETATM 1584 C C12   . GER    C  3  .   ? -0.515  9.364   -14.552 1.00 3.65  1   C  1 
HETATM 1585 C C13   . GER    C  3  .   ? -0.557  10.131  -15.391 1.00 2.51  1   C  1 
HETATM 1586 C C14   . GER    C  3  .   ? -0.892  9.667   -16.692 1.00 2.71  1   C  1 
HETATM 1587 C C15   . GER    C  3  .   ? -0.380  11.386  -15.289 1.00 2.31  1   C  1 
HETATM 1588 C C16   . GER    C  3  .   ? -0.691  12.380  -15.840 1.00 2.22  1   C  1 
HETATM 1589 C C17   . GER    C  3  .   ? -0.621  13.574  -15.794 1.00 1.84  1   C  1 
HETATM 1590 C C18   . GER    C  3  .   ? -1.069  14.557  -16.220 1.00 1.60  1   C  1 
HETATM 1591 C C19   . GER    C  3  .   ? -0.689  15.834  -15.907 1.00 2.11  1   C  1 
HETATM 1592 C C20   . GER    C  3  .   ? -2.118  14.516  -17.140 1.00 2.50  1   C  1 
HETATM 1593 C C1    . LIG_D  D  4  .   ? -7.112  15.081  -6.528  1.00 1.99  1   D  1 
HETATM 1594 C C2    . LIG_D  D  4  .   ? -6.469  15.603  -7.176  1.00 1.97  1   D  1 
HETATM 1595 C C3    . LIG_D  D  4  .   ? -5.485  15.375  -7.348  1.00 1.83  1   D  1 
HETATM 1596 C C4    . LIG_D  D  4  .   ? -4.771  14.653  -7.107  1.00 2.04  1   D  1 
HETATM 1597 C C5    . LIG_D  D  4  .   ? -4.292  13.786  -6.726  1.00 1.89  1   D  1 
HETATM 1598 C C6    . LIG_D  D  4  .   ? -4.025  12.851  -6.300  1.00 1.76  1   D  1 
HETATM 1599 C C7    . LIG_D  D  4  .   ? -3.886  11.885  -5.889  1.00 1.72  1   D  1 
HETATM 1600 C C8    . LIG_D  D  4  .   ? -3.877  10.907  -5.478  1.00 1.74  1   D  1 
HETATM 1601 C C9    . LIG_D  D  4  .   ? -3.895  9.920   -5.072  1.00 1.97  1   D  1 
HETATM 1602 C C10   . LIG_D  D  4  .   ? -3.963  8.889   -4.658  1.00 2.01  1   D  1 
HETATM 1603 C C11   . LIG_D  D  4  .   ? -4.012  7.858   -4.278  1.00 2.11  1   D  1 
HETATM 1604 C C12   . LIG_D  D  4  .   ? -4.101  6.820   -3.888  1.00 2.29  1   D  1 
HETATM 1605 C C13   . LIG_D  D  4  .   ? -4.136  5.763   -3.545  1.00 1.85  1   D  1 
HETATM 1606 C C14   . LIG_D  D  4  .   ? -4.285  4.701   -3.205  1.00 2.04  1   D  1 
HETATM 1607 C C15   . LIG_D  D  4  .   ? -4.322  3.646   -2.877  1.00 2.15  1   D  1 
HETATM 1608 C C16   . LIG_D  D  4  .   ? -4.608  2.582   -2.616  1.00 2.41  1   D  1 
HETATM 1609 C C17   . LIG_D  D  4  .   ? -4.610  1.520   -2.329  1.00 1.99  1   D  1 
HETATM 1610 C C18   . LIG_D  D  4  .   ? -5.421  0.527   -2.333  1.00 2.69  1   D  1 
HETATM 1611 O O1    . LIG_D  D  4  .   ? -6.506  0.661   -2.803  1.00 3.66  1   D  1 
HETATM 1612 O O2    . LIG_D  D  4  .   ? -5.027  -0.511  -1.870  1.00 3.62  1   D  1 
HETATM 1613 C C19   . LIG_D  D  4  .   ? -5.901  -1.491  -1.907  1.00 2.63  1   D  1 
HETATM 1614 C C20   . LIG_D  D  4  .   ? -5.808  -2.327  -0.729  1.00 4.05  1   D  1 
HETATM 1615 C C21   . LIG_D  D  4  .   ? -6.436  -3.635  -0.972  1.00 3.61  1   D  1 
HETATM 1616 O O3    . LIG_D  D  4  .   ? -5.777  -4.518  -0.234  1.00 4.64  1   D  1 
HETATM 1617 P P1    . LIG_D  D  4  .   ? -5.774  -5.959  -0.550  1.00 4.90  1   D  1 
HETATM 1618 O O4    . LIG_D  D  4  .   ? -4.762  -6.561  0.303   1.00 3.76  1   D  1 
HETATM 1619 O O5    . LIG_D  D  4  .   ? -5.762  -6.235  -1.908  1.00 3.75  1   D  1 
HETATM 1620 O O6    . LIG_D  D  4  .   ? -7.171  -6.337  0.095   1.00 4.18  1   D  1 
HETATM 1621 C C22   . LIG_D  D  4  .   ? -8.153  -6.753  -0.524  1.00 4.76  1   D  1 
HETATM 1622 C C23   . LIG_D  D  4  .   ? -8.894  -7.663  0.181   1.00 4.61  1   D  1 
HETATM 1623 N N1    . LIG_D  D  4  .   ? -8.324  -8.903  0.439   1.00 6.64  1   D  1 
HETATM 1624 C C24   . LIG_D  D  4  .   ? -9.333  -9.781  0.890   1.00 5.64  1   D  1 
HETATM 1625 C C25   . LIG_D  D  4  .   ? -7.346  -8.772  1.453   1.00 5.77  1   D  1 
HETATM 1626 C C26   . LIG_D  D  4  .   ? -7.750  -9.415  -0.749  1.00 5.54  1   D  1 
HETATM 1627 O O7    . LIG_D  D  4  .   ? -6.450  -1.717  0.336   1.00 3.95  1   D  1 
HETATM 1628 C C27   . LIG_D  D  4  .   ? -5.710  -1.246  1.257   1.00 4.24  1   D  1 
HETATM 1629 O O8    . LIG_D  D  4  .   ? -4.514  -1.366  1.226   1.00 2.96  1   D  1 
HETATM 1630 C C28   . LIG_D  D  4  .   ? -6.338  -0.551  2.168   1.00 3.57  1   D  1 
HETATM 1631 C C29   . LIG_D  D  4  .   ? -6.762  0.544   2.085   1.00 3.65  1   D  1 
HETATM 1632 C C30   . LIG_D  D  4  .   ? -7.074  1.565   1.832   1.00 3.27  1   D  1 
HETATM 1633 C C31   . LIG_D  D  4  .   ? -7.348  2.608   1.470   1.00 2.98  1   D  1 
HETATM 1634 C C32   . LIG_D  D  4  .   ? -7.564  3.582   1.028   1.00 2.95  1   D  1 
HETATM 1635 C C33   . LIG_D  D  4  .   ? -7.760  4.554   0.511   1.00 2.66  1   D  1 
HETATM 1636 C C34   . LIG_D  D  4  .   ? -7.890  5.506   -0.059  1.00 2.52  1   D  1 
HETATM 1637 C C35   . LIG_D  D  4  .   ? -7.992  6.471   -0.649  1.00 2.18  1   D  1 
HETATM 1638 C C36   . LIG_D  D  4  .   ? -8.067  7.426   -1.263  1.00 2.28  1   D  1 
HETATM 1639 C C37   . LIG_D  D  4  .   ? -8.124  8.404   -1.887  1.00 2.32  1   D  1 
HETATM 1640 C C38   . LIG_D  D  4  .   ? -8.161  9.394   -2.503  1.00 1.84  1   D  1 
HETATM 1641 C C39   . LIG_D  D  4  .   ? -8.209  10.412  -3.112  1.00 1.83  1   D  1 
HETATM 1642 C C40   . LIG_D  D  4  .   ? -8.237  11.422  -3.712  1.00 2.04  1   D  1 
HETATM 1643 C C41   . LIG_D  D  4  .   ? -8.256  12.425  -4.316  1.00 1.62  1   D  1 
HETATM 1644 C C42   . LIG_D  D  4  .   ? -8.299  13.358  -4.886  1.00 1.56  1   D  1 
HETATM 1645 C C43   . LIG_D  D  4  .   ? -8.427  14.260  -5.415  1.00 1.42  1   D  1 
HETATM 1646 C C44   . LIG_D  D  4  .   ? -8.702  15.262  -6.024  1.00 1.41  1   D  1 
HETATM 1647 C C1    . LIG_E  E  5  .   ? 20.872  11.414  -13.516 1.00 1.67  1   E  1 
HETATM 1648 C C2    . LIG_E  E  5  .   ? 20.218  11.914  -13.700 1.00 2.01  1   E  1 
HETATM 1649 C C3    . LIG_E  E  5  .   ? 19.664  12.792  -13.971 1.00 1.91  1   E  1 
HETATM 1650 C C4    . LIG_E  E  5  .   ? 19.220  13.715  -14.182 1.00 2.17  1   E  1 
HETATM 1651 C C5    . LIG_E  E  5  .   ? 18.830  14.685  -14.390 1.00 1.84  1   E  1 
HETATM 1652 C C6    . LIG_E  E  5  .   ? 18.548  15.690  -14.564 1.00 1.66  1   E  1 
HETATM 1653 C C7    . LIG_E  E  5  .   ? 18.394  16.727  -14.648 1.00 1.58  1   E  1 
HETATM 1654 C C8    . LIG_E  E  5  .   ? 18.360  17.783  -14.648 1.00 1.54  1   E  1 
HETATM 1655 C C9    . LIG_E  E  5  .   ? 18.333  18.826  -14.565 1.00 1.61  1   E  1 
HETATM 1656 C C10   . LIG_E  E  5  .   ? 18.373  19.900  -14.422 1.00 1.67  1   E  1 
HETATM 1657 C C11   . LIG_E  E  5  .   ? 18.455  20.950  -14.239 1.00 1.59  1   E  1 
HETATM 1658 C C12   . LIG_E  E  5  .   ? 18.559  21.999  -14.056 1.00 1.61  1   E  1 
HETATM 1659 C C13   . LIG_E  E  5  .   ? 18.703  23.049  -13.883 1.00 1.37  1   E  1 
HETATM 1660 C C14   . LIG_E  E  5  .   ? 18.862  24.099  -13.821 1.00 1.36  1   E  1 
HETATM 1661 C C15   . LIG_E  E  5  .   ? 19.048  25.170  -13.789 1.00 1.35  1   E  1 
HETATM 1662 C C16   . LIG_E  E  5  .   ? 19.176  26.234  -13.971 1.00 1.33  1   E  1 
HETATM 1663 C C17   . LIG_E  E  5  .   ? 19.307  27.309  -14.031 1.00 1.23  1   E  1 
HETATM 1664 C C18   . LIG_E  E  5  .   ? 19.172  28.277  -14.806 1.00 1.26  1   E  1 
HETATM 1665 O O1    . LIG_E  E  5  .   ? 18.551  29.209  -14.481 1.00 1.55  1   E  1 
HETATM 1666 O O2    . LIG_E  E  5  .   ? 19.647  28.078  -15.889 1.00 1.48  1   E  1 
HETATM 1667 C C19   . LIG_E  E  5  .   ? 19.288  28.877  -16.834 1.00 1.23  1   E  1 
HETATM 1668 C C20   . LIG_E  E  5  .   ? 19.953  28.619  -18.081 1.00 1.27  1   E  1 
HETATM 1669 C C21   . LIG_E  E  5  .   ? 19.352  29.446  -19.113 1.00 1.27  1   E  1 
HETATM 1670 O O3    . LIG_E  E  5  .   ? 19.561  30.676  -18.883 1.00 1.27  1   E  1 
HETATM 1671 P P1    . LIG_E  E  5  .   ? 20.212  31.498  -19.962 1.00 1.30  1   E  1 
HETATM 1672 O O4    . LIG_E  E  5  .   ? 21.519  31.775  -19.537 1.00 1.22  1   E  1 
HETATM 1673 O O5    . LIG_E  E  5  .   ? 19.998  30.915  -21.206 1.00 1.21  1   E  1 
HETATM 1674 O O6    . LIG_E  E  5  .   ? 19.280  32.675  -19.816 1.00 1.26  1   E  1 
HETATM 1675 C C22   . LIG_E  E  5  .   ? 19.646  33.831  -19.544 1.00 1.34  1   E  1 
HETATM 1676 C C23   . LIG_E  E  5  .   ? 19.366  34.729  -20.578 1.00 1.31  1   E  1 
HETATM 1677 N N1    . LIG_E  E  5  .   ? 20.427  35.375  -21.161 1.00 1.97  1   E  1 
HETATM 1678 C C24   . LIG_E  E  5  .   ? 21.348  34.430  -21.656 1.00 1.39  1   E  1 
HETATM 1679 C C25   . LIG_E  E  5  .   ? 21.061  36.144  -20.177 1.00 1.44  1   E  1 
HETATM 1680 C C26   . LIG_E  E  5  .   ? 19.953  36.160  -22.192 1.00 1.45  1   E  1 
HETATM 1681 O O7    . LIG_E  E  5  .   ? 19.776  27.322  -18.474 1.00 1.38  1   E  1 
HETATM 1682 C C27   . LIG_E  E  5  .   ? 20.812  26.731  -18.782 1.00 1.48  1   E  1 
HETATM 1683 O O8    . LIG_E  E  5  .   ? 21.887  27.191  -18.623 1.00 1.39  1   E  1 
HETATM 1684 C C28   . LIG_E  E  5  .   ? 20.636  25.540  -19.173 1.00 1.36  1   E  1 
HETATM 1685 C C29   . LIG_E  E  5  .   ? 20.848  24.517  -18.892 1.00 1.46  1   E  1 
HETATM 1686 C C30   . LIG_E  E  5  .   ? 20.916  23.458  -18.722 1.00 1.44  1   E  1 
HETATM 1687 C C31   . LIG_E  E  5  .   ? 21.004  22.406  -18.445 1.00 1.40  1   E  1 
HETATM 1688 C C32   . LIG_E  E  5  .   ? 21.069  21.363  -18.180 1.00 1.54  1   E  1 
HETATM 1689 C C33   . LIG_E  E  5  .   ? 21.185  20.330  -17.864 1.00 1.51  1   E  1 
HETATM 1690 C C34   . LIG_E  E  5  .   ? 21.313  19.290  -17.560 1.00 1.53  1   E  1 
HETATM 1691 C C35   . LIG_E  E  5  .   ? 21.462  18.255  -17.253 1.00 1.51  1   E  1 
HETATM 1692 C C36   . LIG_E  E  5  .   ? 21.629  17.220  -16.942 1.00 1.60  1   E  1 
HETATM 1693 C C37   . LIG_E  E  5  .   ? 21.827  16.203  -16.634 1.00 1.63  1   E  1 
HETATM 1694 C C38   . LIG_E  E  5  .   ? 22.027  15.194  -16.252 1.00 1.50  1   E  1 
HETATM 1695 C C39   . LIG_E  E  5  .   ? 22.203  14.208  -15.807 1.00 1.58  1   E  1 
HETATM 1696 C C40   . LIG_E  E  5  .   ? 22.327  13.249  -15.289 1.00 1.74  1   E  1 
HETATM 1697 C C41   . LIG_E  E  5  .   ? 22.398  12.324  -14.699 1.00 1.52  1   E  1 
HETATM 1698 C C42   . LIG_E  E  5  .   ? 22.439  11.460  -14.071 1.00 1.53  1   E  1 
HETATM 1699 C C43   . LIG_E  E  5  .   ? 22.489  10.606  -13.439 1.00 1.38  1   E  1 
HETATM 1700 C C44   . LIG_E  E  5  .   ? 22.598  9.671   -12.751 1.00 1.43  1   E  1 
HETATM 1701 C C1    . LIG_F  F  6  .   ? 26.845  15.225  -12.627 1.00 1.81  1   F  1 
HETATM 1702 C C2    . LIG_F  F  6  .   ? 26.386  14.667  -13.141 1.00 2.30  1   F  1 
HETATM 1703 C C3    . LIG_F  F  6  .   ? 25.980  13.694  -12.900 1.00 2.17  1   F  1 
HETATM 1704 C C4    . LIG_F  F  6  .   ? 25.839  12.874  -12.246 1.00 2.31  1   F  1 
HETATM 1705 C C5    . LIG_F  F  6  .   ? 25.755  12.107  -11.496 1.00 1.98  1   F  1 
HETATM 1706 C C6    . LIG_F  F  6  .   ? 25.731  11.408  -10.663 1.00 1.73  1   F  1 
HETATM 1707 C C7    . LIG_F  F  6  .   ? 25.687  10.723  -9.858  1.00 1.63  1   F  1 
HETATM 1708 C C8    . LIG_F  F  6  .   ? 25.653  10.036  -9.043  1.00 1.57  1   F  1 
HETATM 1709 C C9    . LIG_F  F  6  .   ? 25.553  9.336   -8.270  1.00 1.66  1   F  1 
HETATM 1710 C C10   . LIG_F  F  6  .   ? 25.429  8.590   -7.467  1.00 1.65  1   F  1 
HETATM 1711 C C11   . LIG_F  F  6  .   ? 25.325  7.828   -6.707  1.00 1.55  1   F  1 
HETATM 1712 C C12   . LIG_F  F  6  .   ? 25.233  7.056   -5.926  1.00 1.56  1   F  1 
HETATM 1713 C C13   . LIG_F  F  6  .   ? 25.158  6.245   -5.206  1.00 1.33  1   F  1 
HETATM 1714 C C14   . LIG_F  F  6  .   ? 25.045  5.441   -4.449  1.00 1.33  1   F  1 
HETATM 1715 C C15   . LIG_F  F  6  .   ? 24.994  4.599   -3.798  1.00 1.32  1   F  1 
HETATM 1716 C C16   . LIG_F  F  6  .   ? 24.794  3.763   -3.064  1.00 1.30  1   F  1 
HETATM 1717 C C17   . LIG_F  F  6  .   ? 24.752  2.858   -2.514  1.00 1.23  1   F  1 
HETATM 1718 C C18   . LIG_F  F  6  .   ? 24.249  2.138   -1.628  1.00 1.27  1   F  1 
HETATM 1719 O O1    . LIG_F  F  6  .   ? 23.653  1.162   -1.885  1.00 1.65  1   F  1 
HETATM 1720 O O2    . LIG_F  F  6  .   ? 24.374  2.603   -0.528  1.00 1.50  1   F  1 
HETATM 1721 C C19   . LIG_F  F  6  .   ? 23.735  2.006   0.441   1.00 1.19  1   F  1 
HETATM 1722 C C20   . LIG_F  F  6  .   ? 23.822  2.801   1.652   1.00 1.23  1   F  1 
HETATM 1723 C C21   . LIG_F  F  6  .   ? 23.107  2.138   2.733   1.00 1.24  1   F  1 
HETATM 1724 O O3    . LIG_F  F  6  .   ? 23.174  0.825   2.564   1.00 1.25  1   F  1 
HETATM 1725 P P1    . LIG_F  F  6  .   ? 23.771  -0.131  3.603   1.00 1.22  1   F  1 
HETATM 1726 O O4    . LIG_F  F  6  .   ? 22.839  -1.222  3.690   1.00 1.16  1   F  1 
HETATM 1727 O O5    . LIG_F  F  6  .   ? 25.104  -0.412  3.348   1.00 1.17  1   F  1 
HETATM 1728 O O6    . LIG_F  F  6  .   ? 23.672  0.723   4.841   1.00 1.23  1   F  1 
HETATM 1729 C C22   . LIG_F  F  6  .   ? 22.955  0.464   5.777   1.00 1.29  1   F  1 
HETATM 1730 C C23   . LIG_F  F  6  .   ? 23.028  1.400   6.754   1.00 1.27  1   F  1 
HETATM 1731 N N1    . LIG_F  F  6  .   ? 22.052  1.351   7.682   1.00 2.00  1   F  1 
HETATM 1732 C C24   . LIG_F  F  6  .   ? 20.822  1.595   7.032   1.00 1.28  1   F  1 
HETATM 1733 C C25   . LIG_F  F  6  .   ? 22.331  2.325   8.620   1.00 1.29  1   F  1 
HETATM 1734 C C26   . LIG_F  F  6  .   ? 22.048  0.070   8.278   1.00 1.31  1   F  1 
HETATM 1735 O O7    . LIG_F  F  6  .   ? 23.210  4.006   1.381   1.00 1.36  1   F  1 
HETATM 1736 C C27   . LIG_F  F  6  .   ? 23.965  4.985   1.484   1.00 1.41  1   F  1 
HETATM 1737 O O8    . LIG_F  F  6  .   ? 24.960  4.926   2.137   1.00 1.39  1   F  1 
HETATM 1738 C C28   . LIG_F  F  6  .   ? 23.644  6.026   0.797   1.00 1.32  1   F  1 
HETATM 1739 C C29   . LIG_F  F  6  .   ? 24.168  6.795   0.158   1.00 1.42  1   F  1 
HETATM 1740 C C30   . LIG_F  F  6  .   ? 24.439  7.598   -0.559  1.00 1.43  1   F  1 
HETATM 1741 C C31   . LIG_F  F  6  .   ? 24.827  8.358   -1.276  1.00 1.42  1   F  1 
HETATM 1742 C C32   . LIG_F  F  6  .   ? 25.174  9.100   -2.013  1.00 1.60  1   F  1 
HETATM 1743 C C33   . LIG_F  F  6  .   ? 25.597  9.810   -2.755  1.00 1.53  1   F  1 
HETATM 1744 C C34   . LIG_F  F  6  .   ? 26.024  10.497  -3.515  1.00 1.49  1   F  1 
HETATM 1745 C C35   . LIG_F  F  6  .   ? 26.463  11.154  -4.295  1.00 1.52  1   F  1 
HETATM 1746 C C36   . LIG_F  F  6  .   ? 26.887  11.758  -5.120  1.00 1.54  1   F  1 
HETATM 1747 C C37   . LIG_F  F  6  .   ? 27.272  12.354  -5.980  1.00 1.59  1   F  1 
HETATM 1748 C C38   . LIG_F  F  6  .   ? 27.598  12.947  -6.865  1.00 1.51  1   F  1 
HETATM 1749 C C39   . LIG_F  F  6  .   ? 27.850  13.571  -7.784  1.00 1.61  1   F  1 
HETATM 1750 C C40   . LIG_F  F  6  .   ? 27.958  14.212  -8.693  1.00 1.81  1   F  1 
HETATM 1751 C C41   . LIG_F  F  6  .   ? 28.006  14.901  -9.587  1.00 1.62  1   F  1 
HETATM 1752 C C42   . LIG_F  F  6  .   ? 28.000  15.605  -10.393 1.00 1.69  1   F  1 
HETATM 1753 C C43   . LIG_F  F  6  .   ? 27.998  16.388  -11.116 1.00 1.43  1   F  1 
HETATM 1754 C C44   . LIG_F  F  6  .   ? 28.048  17.308  -11.843 1.00 1.50  1   F  1 
HETATM 1755 C C1    . LIG_G  G  7  .   ? -7.824  17.420  -14.192 1.00 1.78  1   G  1 
HETATM 1756 C C2    . LIG_G  G  7  .   ? -7.720  17.144  -15.126 1.00 1.98  1   G  1 
HETATM 1757 C C3    . LIG_G  G  7  .   ? -7.166  17.184  -16.063 1.00 1.93  1   G  1 
HETATM 1758 C C4    . LIG_G  G  7  .   ? -6.387  17.371  -16.772 1.00 2.10  1   G  1 
HETATM 1759 C C5    . LIG_G  G  7  .   ? -5.549  17.660  -17.417 1.00 1.81  1   G  1 
HETATM 1760 C C6    . LIG_G  G  7  .   ? -4.681  18.067  -17.918 1.00 1.71  1   G  1 
HETATM 1761 C C7    . LIG_G  G  7  .   ? -3.820  18.530  -18.348 1.00 1.64  1   G  1 
HETATM 1762 C C8    . LIG_G  G  7  .   ? -2.977  19.078  -18.703 1.00 1.55  1   G  1 
HETATM 1763 C C9    . LIG_G  G  7  .   ? -2.184  19.672  -19.025 1.00 1.66  1   G  1 
HETATM 1764 C C10   . LIG_G  G  7  .   ? -1.399  20.346  -19.363 1.00 1.69  1   G  1 
HETATM 1765 C C11   . LIG_G  G  7  .   ? -0.675  21.043  -19.706 1.00 1.54  1   G  1 
HETATM 1766 C C12   . LIG_G  G  7  .   ? -0.003  21.793  -20.076 1.00 1.59  1   G  1 
HETATM 1767 C C13   . LIG_G  G  7  .   ? 0.605   22.564  -20.469 1.00 1.34  1   G  1 
HETATM 1768 C C14   . LIG_G  G  7  .   ? 1.045   23.443  -20.898 1.00 1.31  1   G  1 
HETATM 1769 C C15   . LIG_G  G  7  .   ? 1.481   24.295  -21.314 1.00 1.32  1   G  1 
HETATM 1770 C C16   . LIG_G  G  7  .   ? 1.698   25.272  -21.810 1.00 1.31  1   G  1 
HETATM 1771 C C17   . LIG_G  G  7  .   ? 2.173   26.086  -22.255 1.00 1.22  1   G  1 
HETATM 1772 C C18   . LIG_G  G  7  .   ? 2.086   27.215  -22.821 1.00 1.25  1   G  1 
HETATM 1773 O O1    . LIG_G  G  7  .   ? 3.006   27.669  -23.364 1.00 1.56  1   G  1 
HETATM 1774 O O2    . LIG_G  G  7  .   ? 1.003   27.692  -22.732 1.00 1.57  1   G  1 
HETATM 1775 C C19   . LIG_G  G  7  .   ? 0.847   28.839  -23.297 1.00 1.24  1   G  1 
HETATM 1776 C C20   . LIG_G  G  7  .   ? -0.482  29.028  -23.797 1.00 1.25  1   G  1 
HETATM 1777 C C21   . LIG_G  G  7  .   ? -0.747  30.444  -23.988 1.00 1.26  1   G  1 
HETATM 1778 O O3    . LIG_G  G  7  .   ? -0.614  30.718  -25.224 1.00 1.31  1   G  1 
HETATM 1779 P P1    . LIG_G  G  7  .   ? -1.479  31.680  -26.005 1.00 1.32  1   G  1 
HETATM 1780 O O4    . LIG_G  G  7  .   ? -1.020  31.550  -27.332 1.00 1.24  1   G  1 
HETATM 1781 O O5    . LIG_G  G  7  .   ? -2.812  31.548  -25.763 1.00 1.23  1   G  1 
HETATM 1782 O O6    . LIG_G  G  7  .   ? -1.007  33.003  -25.443 1.00 1.28  1   G  1 
HETATM 1783 C C22   . LIG_G  G  7  .   ? -0.695  33.927  -26.199 1.00 1.34  1   G  1 
HETATM 1784 C C23   . LIG_G  G  7  .   ? -1.038  35.175  -25.768 1.00 1.36  1   G  1 
HETATM 1785 N N1    . LIG_G  G  7  .   ? -0.088  35.940  -25.170 1.00 2.10  1   G  1 
HETATM 1786 C C24   . LIG_G  G  7  .   ? 0.061   35.504  -23.841 1.00 1.50  1   G  1 
HETATM 1787 C C25   . LIG_G  G  7  .   ? 1.135   35.793  -25.844 1.00 1.47  1   G  1 
HETATM 1788 C C26   . LIG_G  G  7  .   ? -0.512  37.247  -25.196 1.00 1.53  1   G  1 
HETATM 1789 O O7    . LIG_G  G  7  .   ? -1.402  28.565  -22.913 1.00 1.38  1   G  1 
HETATM 1790 C C27   . LIG_G  G  7  .   ? -2.260  27.804  -23.374 1.00 1.47  1   G  1 
HETATM 1791 O O8    . LIG_G  G  7  .   ? -2.411  27.596  -24.520 1.00 1.41  1   G  1 
HETATM 1792 C C28   . LIG_G  G  7  .   ? -2.911  27.203  -22.466 1.00 1.34  1   G  1 
HETATM 1793 C C29   . LIG_G  G  7  .   ? -2.860  26.529  -21.620 1.00 1.46  1   G  1 
HETATM 1794 C C30   . LIG_G  G  7  .   ? -3.136  25.913  -20.747 1.00 1.40  1   G  1 
HETATM 1795 C C31   . LIG_G  G  7  .   ? -3.286  25.298  -19.870 1.00 1.41  1   G  1 
HETATM 1796 C C32   . LIG_G  G  7  .   ? -3.546  24.720  -18.990 1.00 1.55  1   G  1 
HETATM 1797 C C33   . LIG_G  G  7  .   ? -3.779  24.162  -18.102 1.00 1.48  1   G  1 
HETATM 1798 C C34   . LIG_G  G  7  .   ? -4.086  23.613  -17.206 1.00 1.47  1   G  1 
HETATM 1799 C C35   . LIG_G  G  7  .   ? -4.413  23.060  -16.334 1.00 1.53  1   G  1 
HETATM 1800 C C36   . LIG_G  G  7  .   ? -4.793  22.481  -15.499 1.00 1.57  1   G  1 
HETATM 1801 C C37   . LIG_G  G  7  .   ? -5.207  21.878  -14.711 1.00 1.60  1   G  1 
HETATM 1802 C C38   . LIG_G  G  7  .   ? -5.682  21.244  -13.987 1.00 1.47  1   G  1 
HETATM 1803 C C39   . LIG_G  G  7  .   ? -6.232  20.570  -13.342 1.00 1.57  1   G  1 
HETATM 1804 C C40   . LIG_G  G  7  .   ? -6.826  19.847  -12.838 1.00 1.72  1   G  1 
HETATM 1805 C C41   . LIG_G  G  7  .   ? -7.444  19.081  -12.413 1.00 1.47  1   G  1 
HETATM 1806 C C42   . LIG_G  G  7  .   ? -8.018  18.373  -11.998 1.00 1.49  1   G  1 
HETATM 1807 C C43   . LIG_G  G  7  .   ? -8.596  17.674  -11.499 1.00 1.42  1   G  1 
HETATM 1808 C C44   . LIG_G  G  7  .   ? -9.192  16.974  -10.883 1.00 1.42  1   G  1 
HETATM 1809 C C1    . LIG_H  H  8  .   ? 17.069  3.100   -30.676 1.00 1.74  1   H  1 
HETATM 1810 C C2    . LIG_H  H  8  .   ? 16.818  3.972   -30.427 1.00 2.07  1   H  1 
HETATM 1811 C C3    . LIG_H  H  8  .   ? 16.300  4.044   -29.552 1.00 1.99  1   H  1 
HETATM 1812 C C4    . LIG_H  H  8  .   ? 15.831  3.619   -28.715 1.00 2.12  1   H  1 
HETATM 1813 C C5    . LIG_H  H  8  .   ? 15.409  3.067   -27.905 1.00 1.83  1   H  1 
HETATM 1814 C C6    . LIG_H  H  8  .   ? 15.078  2.355   -27.146 1.00 1.66  1   H  1 
HETATM 1815 C C7    . LIG_H  H  8  .   ? 14.835  1.594   -26.438 1.00 1.56  1   H  1 
HETATM 1816 C C8    . LIG_H  H  8  .   ? 14.677  0.762   -25.751 1.00 1.53  1   H  1 
HETATM 1817 C C9    . LIG_H  H  8  .   ? 14.583  -0.072  -25.097 1.00 1.58  1   H  1 
HETATM 1818 C C10   . LIG_H  H  8  .   ? 14.550  -0.971  -24.431 1.00 1.59  1   H  1 
HETATM 1819 C C11   . LIG_H  H  8  .   ? 14.564  -1.861  -23.807 1.00 1.51  1   H  1 
HETATM 1820 C C12   . LIG_H  H  8  .   ? 14.615  -2.779  -23.200 1.00 1.57  1   H  1 
HETATM 1821 C C13   . LIG_H  H  8  .   ? 14.737  -3.702  -22.636 1.00 1.36  1   H  1 
HETATM 1822 C C14   . LIG_H  H  8  .   ? 14.934  -4.639  -22.073 1.00 1.37  1   H  1 
HETATM 1823 C C15   . LIG_H  H  8  .   ? 15.154  -5.582  -21.612 1.00 1.33  1   H  1 
HETATM 1824 C C16   . LIG_H  H  8  .   ? 15.465  -6.538  -21.092 1.00 1.32  1   H  1 
HETATM 1825 C C17   . LIG_H  H  8  .   ? 15.649  -7.541  -20.863 1.00 1.22  1   H  1 
HETATM 1826 C C18   . LIG_H  H  8  .   ? 16.186  -8.443  -20.182 1.00 1.26  1   H  1 
HETATM 1827 O O1    . LIG_H  H  8  .   ? 16.792  -8.181  -19.211 1.00 1.58  1   H  1 
HETATM 1828 O O2    . LIG_H  H  8  .   ? 16.008  -9.532  -20.608 1.00 1.50  1   H  1 
HETATM 1829 C C19   . LIG_H  H  8  .   ? 16.680  -10.439 -20.009 1.00 1.19  1   H  1 
HETATM 1830 C C20   . LIG_H  H  8  .   ? 16.180  -11.755 -20.230 1.00 1.26  1   H  1 
HETATM 1831 C C21   . LIG_H  H  8  .   ? 17.021  -12.679 -19.507 1.00 1.22  1   H  1 
HETATM 1832 O O3    . LIG_H  H  8  .   ? 16.452  -12.860 -18.333 1.00 1.25  1   H  1 
HETATM 1833 P P1    . LIG_H  H  8  .   ? 15.878  -14.213 -17.925 1.00 1.23  1   H  1 
HETATM 1834 O O4    . LIG_H  H  8  .   ? 16.843  -14.797 -17.075 1.00 1.15  1   H  1 
HETATM 1835 O O5    . LIG_H  H  8  .   ? 15.389  -14.936 -18.996 1.00 1.15  1   H  1 
HETATM 1836 O O6    . LIG_H  H  8  .   ? 14.704  -13.649 -17.174 1.00 1.25  1   H  1 
HETATM 1837 C C22   . LIG_H  H  8  .   ? 14.270  -14.092 -16.125 1.00 1.27  1   H  1 
HETATM 1838 C C23   . LIG_H  H  8  .   ? 14.257  -13.076 -15.219 1.00 1.25  1   H  1 
HETATM 1839 N N1    . LIG_H  H  8  .   ? 14.548  -13.398 -13.942 1.00 1.86  1   H  1 
HETATM 1840 C C24   . LIG_H  H  8  .   ? 14.471  -12.226 -13.206 1.00 1.33  1   H  1 
HETATM 1841 C C25   . LIG_H  H  8  .   ? 13.636  -14.351 -13.475 1.00 1.35  1   H  1 
HETATM 1842 C C26   . LIG_H  H  8  .   ? 15.852  -13.923 -13.838 1.00 1.33  1   H  1 
HETATM 1843 O O7    . LIG_H  H  8  .   ? 16.074  -12.067 -21.569 1.00 1.32  1   H  1 
HETATM 1844 C C27   . LIG_H  H  8  .   ? 16.973  -12.696 -22.207 1.00 1.33  1   H  1 
HETATM 1845 O O8    . LIG_H  H  8  .   ? 18.034  -13.013 -21.794 1.00 1.35  1   H  1 
HETATM 1846 C C28   . LIG_H  H  8  .   ? 16.630  -12.884 -23.435 1.00 1.29  1   H  1 
HETATM 1847 C C29   . LIG_H  H  8  .   ? 16.591  -12.050 -24.222 1.00 1.41  1   H  1 
HETATM 1848 C C30   . LIG_H  H  8  .   ? 16.603  -11.051 -24.630 1.00 1.46  1   H  1 
HETATM 1849 C C31   . LIG_H  H  8  .   ? 16.572  -10.048 -25.114 1.00 1.40  1   H  1 
HETATM 1850 C C32   . LIG_H  H  8  .   ? 16.517  -9.016  -25.471 1.00 1.57  1   H  1 
HETATM 1851 C C33   . LIG_H  H  8  .   ? 16.467  -7.990  -25.849 1.00 1.50  1   H  1 
HETATM 1852 C C34   . LIG_H  H  8  .   ? 16.451  -6.959  -26.212 1.00 1.49  1   H  1 
HETATM 1853 C C35   . LIG_H  H  8  .   ? 16.453  -5.937  -26.612 1.00 1.47  1   H  1 
HETATM 1854 C C36   . LIG_H  H  8  .   ? 16.490  -4.916  -27.057 1.00 1.53  1   H  1 
HETATM 1855 C C37   . LIG_H  H  8  .   ? 16.581  -3.916  -27.564 1.00 1.59  1   H  1 
HETATM 1856 C C38   . LIG_H  H  8  .   ? 16.708  -2.952  -28.129 1.00 1.47  1   H  1 
HETATM 1857 C C39   . LIG_H  H  8  .   ? 16.873  -1.995  -28.757 1.00 1.57  1   H  1 
HETATM 1858 C C40   . LIG_H  H  8  .   ? 17.051  -1.082  -29.397 1.00 1.70  1   H  1 
HETATM 1859 C C41   . LIG_H  H  8  .   ? 17.225  -0.175  -30.052 1.00 1.57  1   H  1 
HETATM 1860 C C42   . LIG_H  H  8  .   ? 17.415  0.673   -30.682 1.00 1.58  1   H  1 
HETATM 1861 C C43   . LIG_H  H  8  .   ? 17.616  1.491   -31.323 1.00 1.41  1   H  1 
HETATM 1862 C C44   . LIG_H  H  8  .   ? 17.914  2.291   -32.175 1.00 1.47  1   H  1 
HETATM 1863 C C1    . LIG_I  I  9  .   ? -1.117  18.617  -4.611  1.00 1.77  1   I  1 
HETATM 1864 C C2    . LIG_I  I  9  .   ? -0.361  18.767  -4.474  1.00 1.90  1   I  1 
HETATM 1865 C C3    . LIG_I  I  9  .   ? 0.430   18.158  -4.152  1.00 1.78  1   I  1 
HETATM 1866 C C4    . LIG_I  I  9  .   ? 1.055   17.355  -3.936  1.00 1.97  1   I  1 
HETATM 1867 C C5    . LIG_I  I  9  .   ? 1.629   16.484  -3.721  1.00 1.84  1   I  1 
HETATM 1868 C C6    . LIG_I  I  9  .   ? 2.108   15.568  -3.533  1.00 1.66  1   I  1 
HETATM 1869 C C7    . LIG_I  I  9  .   ? 2.527   14.623  -3.348  1.00 1.66  1   I  1 
HETATM 1870 C C8    . LIG_I  I  9  .   ? 2.913   13.649  -3.160  1.00 1.64  1   I  1 
HETATM 1871 C C9    . LIG_I  I  9  .   ? 3.260   12.668  -3.008  1.00 1.82  1   I  1 
HETATM 1872 C C10   . LIG_I  I  9  .   ? 3.626   11.637  -2.818  1.00 1.83  1   I  1 
HETATM 1873 C C11   . LIG_I  I  9  .   ? 3.960   10.626  -2.607  1.00 1.80  1   I  1 
HETATM 1874 C C12   . LIG_I  I  9  .   ? 4.287   9.600   -2.337  1.00 1.89  1   I  1 
HETATM 1875 C C13   . LIG_I  I  9  .   ? 4.563   8.574   -2.032  1.00 1.57  1   I  1 
HETATM 1876 C C14   . LIG_I  I  9  .   ? 4.848   7.543   -1.688  1.00 1.58  1   I  1 
HETATM 1877 C C15   . LIG_I  I  9  .   ? 5.045   6.542   -1.353  1.00 1.55  1   I  1 
HETATM 1878 C C16   . LIG_I  I  9  .   ? 5.282   5.505   -0.911  1.00 1.61  1   I  1 
HETATM 1879 C C17   . LIG_I  I  9  .   ? 5.172   4.509   -0.616  1.00 1.49  1   I  1 
HETATM 1880 C C18   . LIG_I  I  9  .   ? 5.506   3.446   0.034   1.00 1.69  1   I  1 
HETATM 1881 O O1    . LIG_I  I  9  .   ? 6.597   3.279   0.426   1.00 2.46  1   I  1 
HETATM 1882 O O2    . LIG_I  I  9  .   ? 4.576   2.650   0.182   1.00 2.38  1   I  1 
HETATM 1883 C C19   . LIG_I  I  9  .   ? 4.821   1.608   0.958   1.00 1.73  1   I  1 
HETATM 1884 C C20   . LIG_I  I  9  .   ? 4.191   1.672   2.261   1.00 2.04  1   I  1 
HETATM 1885 C C21   . LIG_I  I  9  .   ? 4.184   0.349   2.888   1.00 1.95  1   I  1 
HETATM 1886 O O3    . LIG_I  I  9  .   ? 5.229   0.280   3.715   1.00 1.96  1   I  1 
HETATM 1887 P P1    . LIG_I  I  9  .   ? 5.289   -0.657  4.879   1.00 2.34  1   I  1 
HETATM 1888 O O4    . LIG_I  I  9  .   ? 4.239   -0.374  5.792   1.00 2.05  1   I  1 
HETATM 1889 O O5    . LIG_I  I  9  .   ? 6.627   -0.697  5.310   1.00 1.98  1   I  1 
HETATM 1890 O O6    . LIG_I  I  9  .   ? 4.994   -2.027  4.195   1.00 2.25  1   I  1 
HETATM 1891 C C22   . LIG_I  I  9  .   ? 3.892   -2.593  4.272   1.00 2.53  1   I  1 
HETATM 1892 C C23   . LIG_I  I  9  .   ? 3.814   -3.623  3.416   1.00 2.62  1   I  1 
HETATM 1893 N N1    . LIG_I  I  9  .   ? 4.010   -4.864  3.935   1.00 4.22  1   I  1 
HETATM 1894 C C24   . LIG_I  I  9  .   ? 2.821   -5.256  4.600   1.00 3.89  1   I  1 
HETATM 1895 C C25   . LIG_I  I  9  .   ? 4.307   -5.705  2.877   1.00 3.58  1   I  1 
HETATM 1896 C C26   . LIG_I  I  9  .   ? 5.081   -4.855  4.867   1.00 3.67  1   I  1 
HETATM 1897 O O7    . LIG_I  I  9  .   ? 2.872   2.063   2.147   1.00 2.52  1   I  1 
HETATM 1898 C C27   . LIG_I  I  9  .   ? 2.601   3.120   2.783   1.00 2.54  1   I  1 
HETATM 1899 O O8    . LIG_I  I  9  .   ? 3.323   3.537   3.647   1.00 2.02  1   I  1 
HETATM 1900 C C28   . LIG_I  I  9  .   ? 1.555   3.753   2.352   1.00 2.21  1   I  1 
HETATM 1901 C C29   . LIG_I  I  9  .   ? 1.396   4.756   1.828   1.00 2.32  1   I  1 
HETATM 1902 C C30   . LIG_I  I  9  .   ? 0.981   5.626   1.276   1.00 1.98  1   I  1 
HETATM 1903 C C31   . LIG_I  I  9  .   ? 0.759   6.558   0.707   1.00 1.77  1   I  1 
HETATM 1904 C C32   . LIG_I  I  9  .   ? 0.470   7.472   0.169   1.00 1.90  1   I  1 
HETATM 1905 C C33   . LIG_I  I  9  .   ? 0.245   8.428   -0.363  1.00 1.74  1   I  1 
HETATM 1906 C C34   . LIG_I  I  9  .   ? 0.002   9.387   -0.882  1.00 1.75  1   I  1 
HETATM 1907 C C35   . LIG_I  I  9  .   ? -0.244  10.367  -1.378  1.00 1.73  1   I  1 
HETATM 1908 C C36   . LIG_I  I  9  .   ? -0.513  11.349  -1.852  1.00 1.81  1   I  1 
HETATM 1909 C C37   . LIG_I  I  9  .   ? -0.798  12.345  -2.303  1.00 1.81  1   I  1 
HETATM 1910 C C38   . LIG_I  I  9  .   ? -1.077  13.355  -2.732  1.00 1.61  1   I  1 
HETATM 1911 C C39   . LIG_I  I  9  .   ? -1.381  14.368  -3.148  1.00 1.64  1   I  1 
HETATM 1912 C C40   . LIG_I  I  9  .   ? -1.674  15.368  -3.554  1.00 1.77  1   I  1 
HETATM 1913 C C41   . LIG_I  I  9  .   ? -1.976  16.374  -3.954  1.00 1.46  1   I  1 
HETATM 1914 C C42   . LIG_I  I  9  .   ? -2.269  17.339  -4.319  1.00 1.46  1   I  1 
HETATM 1915 C C43   . LIG_I  I  9  .   ? -2.626  18.282  -4.677  1.00 1.38  1   I  1 
HETATM 1916 C C44   . LIG_I  I  9  .   ? -3.085  19.284  -5.072  1.00 1.40  1   I  1 
HETATM 1917 C C1    . LIG_J  J  10 .   ? 17.998  14.965  -10.951 1.00 1.69  1   J  1 
HETATM 1918 C C2    . LIG_J  J  10 .   ? 18.611  14.525  -11.039 1.00 1.98  1   J  1 
HETATM 1919 C C3    . LIG_J  J  10 .   ? 19.024  13.603  -10.773 1.00 1.89  1   J  1 
HETATM 1920 C C4    . LIG_J  J  10 .   ? 19.369  12.685  -10.486 1.00 2.17  1   J  1 
HETATM 1921 C C5    . LIG_J  J  10 .   ? 19.649  11.741  -10.120 1.00 1.87  1   J  1 
HETATM 1922 C C6    . LIG_J  J  10 .   ? 19.888  10.811  -9.706  1.00 1.70  1   J  1 
HETATM 1923 C C7    . LIG_J  J  10 .   ? 20.094  9.908   -9.249  1.00 1.69  1   J  1 
HETATM 1924 C C8    . LIG_J  J  10 .   ? 20.255  9.018   -8.714  1.00 1.60  1   J  1 
HETATM 1925 C C9    . LIG_J  J  10 .   ? 20.360  8.160   -8.137  1.00 1.66  1   J  1 
HETATM 1926 C C10   . LIG_J  J  10 .   ? 20.412  7.252   -7.523  1.00 1.69  1   J  1 
HETATM 1927 C C11   . LIG_J  J  10 .   ? 20.425  6.368   -6.918  1.00 1.54  1   J  1 
HETATM 1928 C C12   . LIG_J  J  10 .   ? 20.406  5.458   -6.304  1.00 1.61  1   J  1 
HETATM 1929 C C13   . LIG_J  J  10 .   ? 20.383  4.567   -5.684  1.00 1.37  1   J  1 
HETATM 1930 C C14   . LIG_J  J  10 .   ? 20.296  3.622   -5.110  1.00 1.37  1   J  1 
HETATM 1931 C C15   . LIG_J  J  10 .   ? 20.260  2.757   -4.483  1.00 1.36  1   J  1 
HETATM 1932 C C16   . LIG_J  J  10 .   ? 19.994  1.793   -3.953  1.00 1.34  1   J  1 
HETATM 1933 C C17   . LIG_J  J  10 .   ? 19.794  1.051   -3.256  1.00 1.27  1   J  1 
HETATM 1934 C C18   . LIG_J  J  10 .   ? 19.190  -0.038  -3.002  1.00 1.30  1   J  1 
HETATM 1935 O O1    . LIG_J  J  10 .   ? 19.348  -1.002  -3.648  1.00 1.71  1   J  1 
HETATM 1936 O O2    . LIG_J  J  10 .   ? 18.393  0.058   -2.084  1.00 1.61  1   J  1 
HETATM 1937 C C19   . LIG_J  J  10 .   ? 17.677  -1.014  -1.816  1.00 1.24  1   J  1 
HETATM 1938 C C20   . LIG_J  J  10 .   ? 16.470  -0.677  -1.090  1.00 1.30  1   J  1 
HETATM 1939 C C21   . LIG_J  J  10 .   ? 15.847  -1.891  -0.527  1.00 1.28  1   J  1 
HETATM 1940 O O3    . LIG_J  J  10 .   ? 16.776  -2.684  -0.006  1.00 1.31  1   J  1 
HETATM 1941 P P1    . LIG_J  J  10 .   ? 16.392  -3.942  0.779   1.00 1.30  1   J  1 
HETATM 1942 O O4    . LIG_J  J  10 .   ? 14.989  -3.982  0.934   1.00 1.20  1   J  1 
HETATM 1943 O O5    . LIG_J  J  10 .   ? 17.217  -4.026  1.914   1.00 1.22  1   J  1 
HETATM 1944 O O6    . LIG_J  J  10 .   ? 16.842  -5.046  -0.216  1.00 1.32  1   J  1 
HETATM 1945 C C22   . LIG_J  J  10 .   ? 16.440  -5.161  -1.413  1.00 1.33  1   J  1 
HETATM 1946 C C23   . LIG_J  J  10 .   ? 15.968  -6.399  -1.675  1.00 1.31  1   J  1 
HETATM 1947 N N1    . LIG_J  J  10 .   ? 16.862  -7.436  -1.824  1.00 1.88  1   J  1 
HETATM 1948 C C24   . LIG_J  J  10 .   ? 17.089  -7.612  -3.181  1.00 1.33  1   J  1 
HETATM 1949 C C25   . LIG_J  J  10 .   ? 16.256  -8.572  -1.270  1.00 1.40  1   J  1 
HETATM 1950 C C26   . LIG_J  J  10 .   ? 18.095  -7.187  -1.198  1.00 1.40  1   J  1 
HETATM 1951 O O7    . LIG_J  J  10 .   ? 15.563  -0.142  -1.984  1.00 1.52  1   J  1 
HETATM 1952 C C27   . LIG_J  J  10 .   ? 15.250  1.043   -1.754  1.00 1.49  1   J  1 
HETATM 1953 O O8    . LIG_J  J  10 .   ? 15.623  1.626   -0.775  1.00 1.50  1   J  1 
HETATM 1954 C C28   . LIG_J  J  10 .   ? 14.546  1.618   -2.673  1.00 1.39  1   J  1 
HETATM 1955 C C29   . LIG_J  J  10 .   ? 14.520  2.653   -3.107  1.00 1.48  1   J  1 
HETATM 1956 C C30   . LIG_J  J  10 .   ? 14.345  3.559   -3.724  1.00 1.48  1   J  1 
HETATM 1957 C C31   . LIG_J  J  10 .   ? 14.340  4.553   -4.223  1.00 1.46  1   J  1 
HETATM 1958 C C32   . LIG_J  J  10 .   ? 14.295  5.515   -4.749  1.00 1.58  1   J  1 
HETATM 1959 C C33   . LIG_J  J  10 .   ? 14.325  6.514   -5.240  1.00 1.57  1   J  1 
HETATM 1960 C C34   . LIG_J  J  10 .   ? 14.379  7.511   -5.738  1.00 1.57  1   J  1 
HETATM 1961 C C35   . LIG_J  J  10 .   ? 14.452  8.505   -6.229  1.00 1.54  1   J  1 
HETATM 1962 C C36   . LIG_J  J  10 .   ? 14.589  9.478   -6.755  1.00 1.62  1   J  1 
HETATM 1963 C C37   . LIG_J  J  10 .   ? 14.745  10.440  -7.300  1.00 1.69  1   J  1 
HETATM 1964 C C38   . LIG_J  J  10 .   ? 14.955  11.383  -7.878  1.00 1.55  1   J  1 
HETATM 1965 C C39   . LIG_J  J  10 .   ? 15.228  12.301  -8.481  1.00 1.62  1   J  1 
HETATM 1966 C C40   . LIG_J  J  10 .   ? 15.534  13.183  -9.079  1.00 1.79  1   J  1 
HETATM 1967 C C41   . LIG_J  J  10 .   ? 15.883  14.039  -9.687  1.00 1.48  1   J  1 
HETATM 1968 C C42   . LIG_J  J  10 .   ? 16.226  14.847  -10.290 1.00 1.47  1   J  1 
HETATM 1969 C C43   . LIG_J  J  10 .   ? 16.493  15.680  -10.889 1.00 1.38  1   J  1 
HETATM 1970 C C44   . LIG_J  J  10 .   ? 16.653  16.621  -11.548 1.00 1.43  1   J  1 
HETATM 1971 C C1    . LIG_K  K  11 .   ? 0.214   16.148  -8.657  1.00 1.77  1   K  1 
HETATM 1972 C C2    . LIG_K  K  11 .   ? -0.199  16.877  -8.401  1.00 1.87  1   K  1 
HETATM 1973 C C3    . LIG_K  K  11 .   ? -0.263  17.857  -8.785  1.00 1.83  1   K  1 
HETATM 1974 C C4    . LIG_K  K  11 .   ? -0.032  18.679  -9.343  1.00 2.08  1   K  1 
HETATM 1975 C C5    . LIG_K  K  11 .   ? 0.335   19.457  -9.970  1.00 1.88  1   K  1 
HETATM 1976 C C6    . LIG_K  K  11 .   ? 0.862   20.131  -10.587 1.00 1.72  1   K  1 
HETATM 1977 C C7    . LIG_K  K  11 .   ? 1.455   20.775  -11.175 1.00 1.64  1   K  1 
HETATM 1978 C C8    . LIG_K  K  11 .   ? 2.112   21.409  -11.711 1.00 1.63  1   K  1 
HETATM 1979 C C9    . LIG_K  K  11 .   ? 2.812   22.020  -12.215 1.00 1.71  1   K  1 
HETATM 1980 C C10   . LIG_K  K  11 .   ? 3.538   22.654  -12.744 1.00 1.77  1   K  1 
HETATM 1981 C C11   . LIG_K  K  11 .   ? 4.227   23.277  -13.283 1.00 1.62  1   K  1 
HETATM 1982 C C12   . LIG_K  K  11 .   ? 4.869   23.948  -13.851 1.00 1.60  1   K  1 
HETATM 1983 C C13   . LIG_K  K  11 .   ? 5.501   24.623  -14.412 1.00 1.35  1   K  1 
HETATM 1984 C C14   . LIG_K  K  11 .   ? 6.042   25.368  -15.002 1.00 1.33  1   K  1 
HETATM 1985 C C15   . LIG_K  K  11 .   ? 6.676   26.081  -15.546 1.00 1.33  1   K  1 
HETATM 1986 C C16   . LIG_K  K  11 .   ? 7.139   26.935  -16.123 1.00 1.30  1   K  1 
HETATM 1987 C C17   . LIG_K  K  11 .   ? 7.796   27.701  -16.577 1.00 1.23  1   K  1 
HETATM 1988 C C18   . LIG_K  K  11 .   ? 7.789   28.815  -17.207 1.00 1.25  1   K  1 
HETATM 1989 O O1    . LIG_K  K  11 .   ? 8.457   29.705  -16.879 1.00 1.58  1   K  1 
HETATM 1990 O O2    . LIG_K  K  11 .   ? 6.972   28.824  -18.095 1.00 1.53  1   K  1 
HETATM 1991 C C19   . LIG_K  K  11 .   ? 6.620   29.983  -18.565 1.00 1.21  1   K  1 
HETATM 1992 C C20   . LIG_K  K  11 .   ? 5.457   29.871  -19.430 1.00 1.24  1   K  1 
HETATM 1993 C C21   . LIG_K  K  11 .   ? 5.003   31.203  -19.787 1.00 1.24  1   K  1 
HETATM 1994 O O3    . LIG_K  K  11 .   ? 5.317   31.417  -21.028 1.00 1.28  1   K  1 
HETATM 1995 P P1    . LIG_K  K  11 .   ? 4.401   32.167  -21.979 1.00 1.25  1   K  1 
HETATM 1996 O O4    . LIG_K  K  11 .   ? 4.992   32.021  -23.261 1.00 1.21  1   K  1 
HETATM 1997 O O5    . LIG_K  K  11 .   ? 3.081   31.884  -21.796 1.00 1.21  1   K  1 
HETATM 1998 O O6    . LIG_K  K  11 .   ? 4.642   33.579  -21.473 1.00 1.27  1   K  1 
HETATM 1999 C C22   . LIG_K  K  11 .   ? 4.177   34.534  -22.083 1.00 1.29  1   K  1 
HETATM 2000 C C23   . LIG_K  K  11 .   ? 4.966   35.648  -22.055 1.00 1.28  1   K  1 
HETATM 2001 N N1    . LIG_K  K  11 .   ? 5.658   36.003  -23.191 1.00 2.14  1   K  1 
HETATM 2002 C C24   . LIG_K  K  11 .   ? 6.857   35.276  -23.236 1.00 1.35  1   K  1 
HETATM 2003 C C25   . LIG_K  K  11 .   ? 5.935   37.342  -23.109 1.00 1.36  1   K  1 
HETATM 2004 C C26   . LIG_K  K  11 .   ? 4.893   35.719  -24.339 1.00 1.44  1   K  1 
HETATM 2005 O O7    . LIG_K  K  11 .   ? 4.423   29.218  -18.786 1.00 1.37  1   K  1 
HETATM 2006 C C27   . LIG_K  K  11 .   ? 4.114   28.098  -19.256 1.00 1.42  1   K  1 
HETATM 2007 O O8    . LIG_K  K  11 .   ? 4.531   27.709  -20.292 1.00 1.43  1   K  1 
HETATM 2008 C C28   . LIG_K  K  11 .   ? 3.365   27.361  -18.489 1.00 1.31  1   K  1 
HETATM 2009 C C29   . LIG_K  K  11 .   ? 3.211   26.266  -18.251 1.00 1.42  1   K  1 
HETATM 2010 C C30   . LIG_K  K  11 .   ? 2.895   25.318  -17.771 1.00 1.39  1   K  1 
HETATM 2011 C C31   . LIG_K  K  11 .   ? 2.714   24.282  -17.391 1.00 1.37  1   K  1 
HETATM 2012 C C32   . LIG_K  K  11 .   ? 2.506   23.299  -16.933 1.00 1.47  1   K  1 
HETATM 2013 C C33   . LIG_K  K  11 .   ? 2.368   22.278  -16.497 1.00 1.50  1   K  1 
HETATM 2014 C C34   . LIG_K  K  11 .   ? 2.251   21.280  -16.002 1.00 1.53  1   K  1 
HETATM 2015 C C35   . LIG_K  K  11 .   ? 2.159   20.298  -15.479 1.00 1.51  1   K  1 
HETATM 2016 C C36   . LIG_K  K  11 .   ? 2.071   19.350  -14.893 1.00 1.63  1   K  1 
HETATM 2017 C C37   . LIG_K  K  11 .   ? 1.962   18.447  -14.252 1.00 1.69  1   K  1 
HETATM 2018 C C38   . LIG_K  K  11 .   ? 1.820   17.593  -13.549 1.00 1.57  1   K  1 
HETATM 2019 C C39   . LIG_K  K  11 .   ? 1.654   16.797  -12.783 1.00 1.65  1   K  1 
HETATM 2020 C C40   . LIG_K  K  11 .   ? 1.437   16.109  -11.954 1.00 1.84  1   K  1 
HETATM 2021 C C41   . LIG_K  K  11 .   ? 1.161   15.548  -11.037 1.00 1.52  1   K  1 
HETATM 2022 C C42   . LIG_K  K  11 .   ? 0.860   15.116  -10.124 1.00 1.46  1   K  1 
HETATM 2023 C C43   . LIG_K  K  11 .   ? 0.575   14.649  -9.191  1.00 1.37  1   K  1 
HETATM 2024 C C44   . LIG_K  K  11 .   ? 0.296   14.127  -8.191  1.00 1.42  1   K  1 
HETATM 2025 C C1    . LIG_L  L  12 .   ? 5.388   9.056   -26.490 1.00 1.65  1   L  1 
HETATM 2026 C C2    . LIG_L  L  12 .   ? 5.856   8.402   -26.734 1.00 2.01  1   L  1 
HETATM 2027 C C3    . LIG_L  L  12 .   ? 6.069   7.358   -26.578 1.00 1.91  1   L  1 
HETATM 2028 C C4    . LIG_L  L  12 .   ? 6.121   6.342   -26.293 1.00 2.11  1   L  1 
HETATM 2029 C C5    . LIG_L  L  12 .   ? 6.103   5.319   -25.974 1.00 1.90  1   L  1 
HETATM 2030 C C6    . LIG_L  L  12 .   ? 6.038   4.306   -25.602 1.00 1.75  1   L  1 
HETATM 2031 C C7    . LIG_L  L  12 .   ? 5.949   3.312   -25.223 1.00 1.71  1   L  1 
HETATM 2032 C C8    . LIG_L  L  12 .   ? 5.847   2.306   -24.812 1.00 1.67  1   L  1 
HETATM 2033 C C9    . LIG_L  L  12 .   ? 5.748   1.314   -24.414 1.00 1.83  1   L  1 
HETATM 2034 C C10   . LIG_L  L  12 .   ? 5.665   0.274   -23.983 1.00 1.83  1   L  1 
HETATM 2035 C C11   . LIG_L  L  12 .   ? 5.604   -0.749  -23.571 1.00 1.78  1   L  1 
HETATM 2036 C C12   . LIG_L  L  12 .   ? 5.531   -1.770  -23.107 1.00 1.82  1   L  1 
HETATM 2037 C C13   . LIG_L  L  12 .   ? 5.443   -2.797  -22.691 1.00 1.51  1   L  1 
HETATM 2038 C C14   . LIG_L  L  12 .   ? 5.331   -3.780  -22.153 1.00 1.53  1   L  1 
HETATM 2039 C C15   . LIG_L  L  12 .   ? 5.233   -4.798  -21.769 1.00 1.49  1   L  1 
HETATM 2040 C C16   . LIG_L  L  12 .   ? 5.074   -5.758  -21.147 1.00 1.46  1   L  1 
HETATM 2041 C C17   . LIG_L  L  12 .   ? 5.001   -6.821  -20.858 1.00 1.34  1   L  1 
HETATM 2042 C C18   . LIG_L  L  12 .   ? 4.786   -7.640  -19.884 1.00 1.42  1   L  1 
HETATM 2043 O O1    . LIG_L  L  12 .   ? 5.608   -8.391  -19.515 1.00 1.89  1   L  1 
HETATM 2044 O O2    . LIG_L  L  12 .   ? 3.693   -7.484  -19.326 1.00 1.86  1   L  1 
HETATM 2045 C C19   . LIG_L  L  12 .   ? 3.492   -8.145  -18.207 1.00 1.51  1   L  1 
HETATM 2046 C C20   . LIG_L  L  12 .   ? 2.478   -7.591  -17.345 1.00 1.58  1   L  1 
HETATM 2047 C C21   . LIG_L  L  12 .   ? 1.474   -8.617  -17.037 1.00 1.59  1   L  1 
HETATM 2048 O O3    . LIG_L  L  12 .   ? 2.084   -9.593  -16.376 1.00 1.47  1   L  1 
HETATM 2049 P P1    . LIG_L  L  12 .   ? 1.605   -11.010 -16.642 1.00 1.50  1   L  1 
HETATM 2050 O O4    . LIG_L  L  12 .   ? 0.181   -10.945 -16.714 1.00 1.36  1   L  1 
HETATM 2051 O O5    . LIG_L  L  12 .   ? 2.341   -11.606 -17.646 1.00 1.40  1   L  1 
HETATM 2052 O O6    . LIG_L  L  12 .   ? 2.024   -11.648 -15.311 1.00 1.50  1   L  1 
HETATM 2053 C C22   . LIG_L  L  12 .   ? 2.009   -12.900 -15.201 1.00 1.63  1   L  1 
HETATM 2054 C C23   . LIG_L  L  12 .   ? 0.780   -13.382 -14.780 1.00 1.54  1   L  1 
HETATM 2055 N N1    . LIG_L  L  12 .   ? 0.544   -13.402 -13.432 1.00 2.45  1   L  1 
HETATM 2056 C C24   . LIG_L  L  12 .   ? 1.741   -13.595 -12.719 1.00 1.72  1   L  1 
HETATM 2057 C C25   . LIG_L  L  12 .   ? -0.351  -14.440 -13.161 1.00 1.71  1   L  1 
HETATM 2058 C C26   . LIG_L  L  12 .   ? -0.046  -12.164 -13.064 1.00 1.83  1   L  1 
HETATM 2059 O O7    . LIG_L  L  12 .   ? 1.840   -6.543  -17.953 1.00 1.71  1   L  1 
HETATM 2060 C C27   . LIG_L  L  12 .   ? 2.073   -5.440  -17.397 1.00 1.68  1   L  1 
HETATM 2061 O O8    . LIG_L  L  12 .   ? 2.579   -5.377  -16.311 1.00 1.82  1   L  1 
HETATM 2062 C C28   . LIG_L  L  12 .   ? 1.775   -4.381  -18.088 1.00 1.63  1   L  1 
HETATM 2063 C C29   . LIG_L  L  12 .   ? 2.138   -3.319  -18.216 1.00 1.72  1   L  1 
HETATM 2064 C C30   . LIG_L  L  12 .   ? 2.234   -2.273  -18.641 1.00 1.70  1   L  1 
HETATM 2065 C C31   . LIG_L  L  12 .   ? 2.441   -1.226  -18.969 1.00 1.64  1   L  1 
HETATM 2066 C C32   . LIG_L  L  12 .   ? 2.546   -0.176  -19.363 1.00 1.80  1   L  1 
HETATM 2067 C C33   . LIG_L  L  12 .   ? 2.654   0.872   -19.754 1.00 1.75  1   L  1 
HETATM 2068 C C34   . LIG_L  L  12 .   ? 2.721   1.922   -20.189 1.00 1.75  1   L  1 
HETATM 2069 C C35   . LIG_L  L  12 .   ? 2.794   2.947   -20.655 1.00 1.68  1   L  1 
HETATM 2070 C C36   . LIG_L  L  12 .   ? 2.895   3.947   -21.181 1.00 1.82  1   L  1 
HETATM 2071 C C37   . LIG_L  L  12 .   ? 3.014   4.928   -21.741 1.00 1.87  1   L  1 
HETATM 2072 C C38   . LIG_L  L  12 .   ? 3.165   5.878   -22.352 1.00 1.66  1   L  1 
HETATM 2073 C C39   . LIG_L  L  12 .   ? 3.353   6.798   -23.004 1.00 1.74  1   L  1 
HETATM 2074 C C40   . LIG_L  L  12 .   ? 3.583   7.683   -23.685 1.00 1.91  1   L  1 
HETATM 2075 C C41   . LIG_L  L  12 .   ? 3.840   8.543   -24.374 1.00 1.57  1   L  1 
HETATM 2076 C C42   . LIG_L  L  12 .   ? 4.092   9.375   -25.036 1.00 1.53  1   L  1 
HETATM 2077 C C43   . LIG_L  L  12 .   ? 4.313   10.233  -25.669 1.00 1.37  1   L  1 
HETATM 2078 C C44   . LIG_L  L  12 .   ? 4.518   11.192  -26.308 1.00 1.45  1   L  1 
HETATM 2079 C C1    . LIG_M  M  13 .   ? 3.503   8.265   -29.544 1.00 1.66  1   M  1 
HETATM 2080 C C2    . LIG_M  M  13 .   ? 4.152   7.623   -29.705 1.00 1.99  1   M  1 
HETATM 2081 C C3    . LIG_M  M  13 .   ? 4.401   6.571   -29.547 1.00 1.89  1   M  1 
HETATM 2082 C C4    . LIG_M  M  13 .   ? 4.358   5.531   -29.289 1.00 2.09  1   M  1 
HETATM 2083 C C5    . LIG_M  M  13 .   ? 4.218   4.485   -28.983 1.00 1.86  1   M  1 
HETATM 2084 C C6    . LIG_M  M  13 .   ? 3.986   3.475   -28.597 1.00 1.72  1   M  1 
HETATM 2085 C C7    . LIG_M  M  13 .   ? 3.752   2.490   -28.183 1.00 1.68  1   M  1 
HETATM 2086 C C8    . LIG_M  M  13 .   ? 3.494   1.489   -27.766 1.00 1.59  1   M  1 
HETATM 2087 C C9    . LIG_M  M  13 .   ? 3.262   0.498   -27.355 1.00 1.73  1   M  1 
HETATM 2088 C C10   . LIG_M  M  13 .   ? 3.014   -0.548  -26.919 1.00 1.74  1   M  1 
HETATM 2089 C C11   . LIG_M  M  13 .   ? 2.784   -1.564  -26.503 1.00 1.68  1   M  1 
HETATM 2090 C C12   . LIG_M  M  13 .   ? 2.533   -2.586  -26.042 1.00 1.72  1   M  1 
HETATM 2091 C C13   . LIG_M  M  13 .   ? 2.327   -3.597  -25.616 1.00 1.44  1   M  1 
HETATM 2092 C C14   . LIG_M  M  13 .   ? 2.058   -4.605  -25.126 1.00 1.44  1   M  1 
HETATM 2093 C C15   . LIG_M  M  13 .   ? 1.915   -5.602  -24.700 1.00 1.42  1   M  1 
HETATM 2094 C C16   . LIG_M  M  13 .   ? 1.586   -6.584  -24.134 1.00 1.42  1   M  1 
HETATM 2095 C C17   . LIG_M  M  13 .   ? 1.625   -7.622  -23.802 1.00 1.29  1   M  1 
HETATM 2096 C C18   . LIG_M  M  13 .   ? 1.106   -8.583  -23.128 1.00 1.36  1   M  1 
HETATM 2097 O O1    . LIG_M  M  13 .   ? 1.314   -9.709  -23.372 1.00 1.76  1   M  1 
HETATM 2098 O O2    . LIG_M  M  13 .   ? 0.386   -8.177  -22.222 1.00 1.73  1   M  1 
HETATM 2099 C C19   . LIG_M  M  13 .   ? -0.324  -9.067  -21.558 1.00 1.38  1   M  1 
HETATM 2100 C C20   . LIG_M  M  13 .   ? -1.198  -8.442  -20.580 1.00 1.47  1   M  1 
HETATM 2101 C C21   . LIG_M  M  13 .   ? -2.159  -9.428  -20.053 1.00 1.50  1   M  1 
HETATM 2102 O O3    . LIG_M  M  13 .   ? -1.467  -10.408 -19.467 1.00 1.41  1   M  1 
HETATM 2103 P P1    . LIG_M  M  13 .   ? -2.181  -11.619 -18.882 1.00 1.46  1   M  1 
HETATM 2104 O O4    . LIG_M  M  13 .   ? -1.182  -12.532 -18.439 1.00 1.30  1   M  1 
HETATM 2105 O O5    . LIG_M  M  13 .   ? -3.206  -11.223 -18.023 1.00 1.36  1   M  1 
HETATM 2106 O O6    . LIG_M  M  13 .   ? -2.769  -12.130 -20.185 1.00 1.39  1   M  1 
HETATM 2107 C C22   . LIG_M  M  13 .   ? -3.573  -12.972 -20.277 1.00 1.48  1   M  1 
HETATM 2108 C C23   . LIG_M  M  13 .   ? -3.739  -13.468 -21.514 1.00 1.37  1   M  1 
HETATM 2109 N N1    . LIG_M  M  13 .   ? -4.951  -14.010 -21.794 1.00 1.99  1   M  1 
HETATM 2110 C C24   . LIG_M  M  13 .   ? -4.759  -15.006 -22.747 1.00 1.42  1   M  1 
HETATM 2111 C C25   . LIG_M  M  13 .   ? -5.765  -12.966 -22.263 1.00 1.52  1   M  1 
HETATM 2112 C C26   . LIG_M  M  13 .   ? -5.526  -14.566 -20.628 1.00 1.55  1   M  1 
HETATM 2113 O O7    . LIG_M  M  13 .   ? -1.891  -7.410  -21.165 1.00 1.63  1   M  1 
HETATM 2114 C C27   . LIG_M  M  13 .   ? -1.638  -6.275  -20.673 1.00 1.64  1   M  1 
HETATM 2115 O O8    . LIG_M  M  13 .   ? -1.144  -6.156  -19.590 1.00 1.72  1   M  1 
HETATM 2116 C C28   . LIG_M  M  13 .   ? -1.899  -5.251  -21.440 1.00 1.56  1   M  1 
HETATM 2117 C C29   . LIG_M  M  13 .   ? -1.530  -4.204  -21.677 1.00 1.67  1   M  1 
HETATM 2118 C C30   . LIG_M  M  13 .   ? -1.361  -3.183  -22.161 1.00 1.69  1   M  1 
HETATM 2119 C C31   . LIG_M  M  13 .   ? -1.086  -2.156  -22.549 1.00 1.59  1   M  1 
HETATM 2120 C C32   . LIG_M  M  13 .   ? -0.855  -1.129  -22.977 1.00 1.79  1   M  1 
HETATM 2121 C C33   . LIG_M  M  13 .   ? -0.600  -0.100  -23.394 1.00 1.69  1   M  1 
HETATM 2122 C C34   . LIG_M  M  13 .   ? -0.372  0.942   -23.820 1.00 1.73  1   M  1 
HETATM 2123 C C35   . LIG_M  M  13 .   ? -0.130  1.971   -24.245 1.00 1.63  1   M  1 
HETATM 2124 C C36   . LIG_M  M  13 .   ? 0.117   2.990   -24.708 1.00 1.70  1   M  1 
HETATM 2125 C C37   . LIG_M  M  13 .   ? 0.360   4.001   -25.196 1.00 1.74  1   M  1 
HETATM 2126 C C38   . LIG_M  M  13 .   ? 0.614   4.976   -25.741 1.00 1.59  1   M  1 
HETATM 2127 C C39   . LIG_M  M  13 .   ? 0.879   5.937   -26.336 1.00 1.70  1   M  1 
HETATM 2128 C C40   . LIG_M  M  13 .   ? 1.169   6.848   -26.963 1.00 1.82  1   M  1 
HETATM 2129 C C41   . LIG_M  M  13 .   ? 1.482   7.721   -27.649 1.00 1.54  1   M  1 
HETATM 2130 C C42   . LIG_M  M  13 .   ? 1.765   8.529   -28.321 1.00 1.51  1   M  1 
HETATM 2131 C C43   . LIG_M  M  13 .   ? 1.987   9.370   -28.987 1.00 1.37  1   M  1 
HETATM 2132 C C44   . LIG_M  M  13 .   ? 2.127   10.310  -29.681 1.00 1.42  1   M  1 
HETATM 2133 C C1    . LIG_N  N  14 .   ? 22.262  16.941  -9.982  1.00 1.73  1   N  1 
HETATM 2134 C C2    . LIG_N  N  14 .   ? 23.003  16.418  -10.488 1.00 2.08  1   N  1 
HETATM 2135 C C3    . LIG_N  N  14 .   ? 23.363  15.408  -10.221 1.00 1.98  1   N  1 
HETATM 2136 C C4    . LIG_N  N  14 .   ? 23.348  14.581  -9.495  1.00 2.17  1   N  1 
HETATM 2137 C C5    . LIG_N  N  14 .   ? 23.201  13.839  -8.699  1.00 1.84  1   N  1 
HETATM 2138 C C6    . LIG_N  N  14 .   ? 22.931  13.166  -7.861  1.00 1.69  1   N  1 
HETATM 2139 C C7    . LIG_N  N  14 .   ? 22.601  12.516  -7.050  1.00 1.61  1   N  1 
HETATM 2140 C C8    . LIG_N  N  14 .   ? 22.243  11.880  -6.231  1.00 1.57  1   N  1 
HETATM 2141 C C9    . LIG_N  N  14 .   ? 21.883  11.236  -5.446  1.00 1.63  1   N  1 
HETATM 2142 C C10   . LIG_N  N  14 .   ? 21.527  10.522  -4.642  1.00 1.66  1   N  1 
HETATM 2143 C C11   . LIG_N  N  14 .   ? 21.234  9.752   -3.915  1.00 1.55  1   N  1 
HETATM 2144 C C12   . LIG_N  N  14 .   ? 20.929  8.923   -3.218  1.00 1.60  1   N  1 
HETATM 2145 C C13   . LIG_N  N  14 .   ? 20.629  8.048   -2.602  1.00 1.36  1   N  1 
HETATM 2146 C C14   . LIG_N  N  14 .   ? 20.341  7.156   -1.971  1.00 1.37  1   N  1 
HETATM 2147 C C15   . LIG_N  N  14 .   ? 20.020  6.270   -1.432  1.00 1.34  1   N  1 
HETATM 2148 C C16   . LIG_N  N  14 .   ? 19.757  5.387   -0.749  1.00 1.33  1   N  1 
HETATM 2149 C C17   . LIG_N  N  14 .   ? 19.313  4.541   -0.292  1.00 1.25  1   N  1 
HETATM 2150 C C18   . LIG_N  N  14 .   ? 19.199  3.741   0.703   1.00 1.31  1   N  1 
HETATM 2151 O O1    . LIG_N  N  14 .   ? 20.111  3.482   1.384   1.00 1.69  1   N  1 
HETATM 2152 O O2    . LIG_N  N  14 .   ? 18.055  3.340   0.903   1.00 1.57  1   N  1 
HETATM 2153 C C19   . LIG_N  N  14 .   ? 17.849  2.740   2.061   1.00 1.22  1   N  1 
HETATM 2154 C C20   . LIG_N  N  14 .   ? 16.590  3.105   2.675   1.00 1.29  1   N  1 
HETATM 2155 C C21   . LIG_N  N  14 .   ? 15.997  1.961   3.371   1.00 1.27  1   N  1 
HETATM 2156 O O3    . LIG_N  N  14 .   ? 16.951  1.282   3.985   1.00 1.31  1   N  1 
HETATM 2157 P P1    . LIG_N  N  14 .   ? 16.761  0.667   5.359   1.00 1.28  1   N  1 
HETATM 2158 O O4    . LIG_N  N  14 .   ? 15.846  1.440   6.110   1.00 1.19  1   N  1 
HETATM 2159 O O5    . LIG_N  N  14 .   ? 18.010  0.298   5.849   1.00 1.21  1   N  1 
HETATM 2160 O O6    . LIG_N  N  14 .   ? 16.015  -0.647  4.916   1.00 1.30  1   N  1 
HETATM 2161 C C22   . LIG_N  N  14 .   ? 15.852  -1.583  5.733   1.00 1.36  1   N  1 
HETATM 2162 C C23   . LIG_N  N  14 .   ? 15.486  -2.753  5.125   1.00 1.36  1   N  1 
HETATM 2163 N N1    . LIG_N  N  14 .   ? 14.211  -2.869  4.658   1.00 2.08  1   N  1 
HETATM 2164 C C24   . LIG_N  N  14 .   ? 13.964  -4.230  4.435   1.00 1.71  1   N  1 
HETATM 2165 C C25   . LIG_N  N  14 .   ? 14.102  -2.154  3.453   1.00 1.55  1   N  1 
HETATM 2166 C C26   . LIG_N  N  14 .   ? 13.297  -2.366  5.608   1.00 1.72  1   N  1 
HETATM 2167 O O7    . LIG_N  N  14 .   ? 15.700  3.484   1.697   1.00 1.46  1   N  1 
HETATM 2168 C C27   . LIG_N  N  14 .   ? 15.316  4.681   1.803   1.00 1.46  1   N  1 
HETATM 2169 O O8    . LIG_N  N  14 .   ? 15.260  5.229   2.858   1.00 1.46  1   N  1 
HETATM 2170 C C28   . LIG_N  N  14 .   ? 15.067  5.277   0.685   1.00 1.35  1   N  1 
HETATM 2171 C C29   . LIG_N  N  14 .   ? 15.286  6.227   0.129   1.00 1.45  1   N  1 
HETATM 2172 C C30   . LIG_N  N  14 .   ? 15.446  7.026   -0.655  1.00 1.47  1   N  1 
HETATM 2173 C C31   . LIG_N  N  14 .   ? 15.748  7.897   -1.311  1.00 1.45  1   N  1 
HETATM 2174 C C32   . LIG_N  N  14 .   ? 16.028  8.734   -1.999  1.00 1.55  1   N  1 
HETATM 2175 C C33   . LIG_N  N  14 .   ? 16.351  9.602   -2.658  1.00 1.51  1   N  1 
HETATM 2176 C C34   . LIG_N  N  14 .   ? 16.657  10.478  -3.327  1.00 1.52  1   N  1 
HETATM 2177 C C35   . LIG_N  N  14 .   ? 16.984  11.358  -3.981  1.00 1.50  1   N  1 
HETATM 2178 C C36   . LIG_N  N  14 .   ? 17.349  12.229  -4.641  1.00 1.55  1   N  1 
HETATM 2179 C C37   . LIG_N  N  14 .   ? 17.738  13.101  -5.297  1.00 1.54  1   N  1 
HETATM 2180 C C38   . LIG_N  N  14 .   ? 18.170  13.973  -5.946  1.00 1.46  1   N  1 
HETATM 2181 C C39   . LIG_N  N  14 .   ? 18.659  14.850  -6.593  1.00 1.56  1   N  1 
HETATM 2182 C C40   . LIG_N  N  14 .   ? 19.158  15.696  -7.232  1.00 1.72  1   N  1 
HETATM 2183 C C41   . LIG_N  N  14 .   ? 19.669  16.534  -7.870  1.00 1.50  1   N  1 
HETATM 2184 C C42   . LIG_N  N  14 .   ? 20.160  17.340  -8.453  1.00 1.53  1   N  1 
HETATM 2185 C C43   . LIG_N  N  14 .   ? 20.582  18.203  -8.981  1.00 1.38  1   N  1 
HETATM 2186 C C44   . LIG_N  N  14 .   ? 20.969  19.199  -9.513  1.00 1.43  1   N  1 
HETATM 2187 C C1    . LIG_O  O  15 .   ? 12.619  5.905   -33.323 1.00 1.59  1   O  1 
HETATM 2188 C C2    . LIG_O  O  15 .   ? 12.738  5.164   -33.321 1.00 2.06  1   O  1 
HETATM 2189 C C3    . LIG_O  O  15 .   ? 12.684  4.194   -32.871 1.00 1.95  1   O  1 
HETATM 2190 C C4    . LIG_O  O  15 .   ? 12.562  3.284   -32.368 1.00 2.10  1   O  1 
HETATM 2191 C C5    . LIG_O  O  15 .   ? 12.421  2.383   -31.805 1.00 1.80  1   O  1 
HETATM 2192 C C6    . LIG_O  O  15 .   ? 12.255  1.513   -31.213 1.00 1.65  1   O  1 
HETATM 2193 C C7    . LIG_O  O  15 .   ? 12.075  0.651   -30.618 1.00 1.61  1   O  1 
HETATM 2194 C C8    . LIG_O  O  15 .   ? 11.909  -0.236  -30.028 1.00 1.52  1   O  1 
HETATM 2195 C C9    . LIG_O  O  15 .   ? 11.757  -1.117  -29.456 1.00 1.60  1   O  1 
HETATM 2196 C C10   . LIG_O  O  15 .   ? 11.608  -2.070  -28.876 1.00 1.67  1   O  1 
HETATM 2197 C C11   . LIG_O  O  15 .   ? 11.487  -3.026  -28.348 1.00 1.56  1   O  1 
HETATM 2198 C C12   . LIG_O  O  15 .   ? 11.366  -3.992  -27.801 1.00 1.61  1   O  1 
HETATM 2199 C C13   . LIG_O  O  15 .   ? 11.279  -4.983  -27.323 1.00 1.36  1   O  1 
HETATM 2200 C C14   . LIG_O  O  15 .   ? 11.148  -5.951  -26.788 1.00 1.36  1   O  1 
HETATM 2201 C C15   . LIG_O  O  15 .   ? 11.081  -6.956  -26.349 1.00 1.33  1   O  1 
HETATM 2202 C C16   . LIG_O  O  15 .   ? 10.856  -7.907  -25.752 1.00 1.33  1   O  1 
HETATM 2203 C C17   . LIG_O  O  15 .   ? 10.776  -8.955  -25.395 1.00 1.24  1   O  1 
HETATM 2204 C C18   . LIG_O  O  15 .   ? 10.227  -9.713  -24.534 1.00 1.28  1   O  1 
HETATM 2205 O O1    . LIG_O  O  15 .   ? 9.613   -10.661 -24.839 1.00 1.63  1   O  1 
HETATM 2206 O O2    . LIG_O  O  15 .   ? 10.365  -9.301  -23.390 1.00 1.59  1   O  1 
HETATM 2207 C C19   . LIG_O  O  15 .   ? 9.616   -9.852  -22.467 1.00 1.25  1   O  1 
HETATM 2208 C C20   . LIG_O  O  15 .   ? 9.698   -9.124  -21.229 1.00 1.35  1   O  1 
HETATM 2209 C C21   . LIG_O  O  15 .   ? 8.865   -9.770  -20.203 1.00 1.29  1   O  1 
HETATM 2210 O O3    . LIG_O  O  15 .   ? 8.357   -10.924 -20.646 1.00 1.30  1   O  1 
HETATM 2211 P P1    . LIG_O  O  15 .   ? 8.173   -12.126 -19.705 1.00 1.33  1   O  1 
HETATM 2212 O O4    . LIG_O  O  15 .   ? 7.089   -12.904 -20.230 1.00 1.20  1   O  1 
HETATM 2213 O O5    . LIG_O  O  15 .   ? 8.154   -11.732 -18.375 1.00 1.22  1   O  1 
HETATM 2214 O O6    . LIG_O  O  15 .   ? 9.501   -12.859 -19.931 1.00 1.29  1   O  1 
HETATM 2215 C C22   . LIG_O  O  15 .   ? 9.609   -14.101 -19.945 1.00 1.31  1   O  1 
HETATM 2216 C C23   . LIG_O  O  15 .   ? 10.270  -14.562 -21.057 1.00 1.27  1   O  1 
HETATM 2217 N N1    . LIG_O  O  15 .   ? 9.684   -15.540 -21.844 1.00 1.90  1   O  1 
HETATM 2218 C C24   . LIG_O  O  15 .   ? 8.501   -16.042 -21.256 1.00 1.38  1   O  1 
HETATM 2219 C C25   . LIG_O  O  15 .   ? 10.583  -16.584 -22.000 1.00 1.34  1   O  1 
HETATM 2220 C C26   . LIG_O  O  15 .   ? 9.362   -14.964 -23.087 1.00 1.40  1   O  1 
HETATM 2221 O O7    . LIG_O  O  15 .   ? 9.193   -7.850  -21.466 1.00 1.49  1   O  1 
HETATM 2222 C C27   . LIG_O  O  15 .   ? 10.039  -6.910  -21.412 1.00 1.50  1   O  1 
HETATM 2223 O O8    . LIG_O  O  15 .   ? 11.139  -7.079  -20.977 1.00 1.50  1   O  1 
HETATM 2224 C C28   . LIG_O  O  15 .   ? 9.660   -5.749  -21.894 1.00 1.35  1   O  1 
HETATM 2225 C C29   . LIG_O  O  15 .   ? 10.083  -4.821  -22.381 1.00 1.47  1   O  1 
HETATM 2226 C C30   . LIG_O  O  15 .   ? 10.168  -3.817  -22.932 1.00 1.47  1   O  1 
HETATM 2227 C C31   . LIG_O  O  15 .   ? 10.355  -2.855  -23.505 1.00 1.47  1   O  1 
HETATM 2228 C C32   . LIG_O  O  15 .   ? 10.484  -1.901  -24.109 1.00 1.55  1   O  1 
HETATM 2229 C C33   . LIG_O  O  15 .   ? 10.648  -0.975  -24.760 1.00 1.53  1   O  1 
HETATM 2230 C C34   . LIG_O  O  15 .   ? 10.776  -0.045  -25.438 1.00 1.51  1   O  1 
HETATM 2231 C C35   . LIG_O  O  15 .   ? 10.930  0.859   -26.139 1.00 1.48  1   O  1 
HETATM 2232 C C36   . LIG_O  O  15 .   ? 11.094  1.753   -26.868 1.00 1.54  1   O  1 
HETATM 2233 C C37   . LIG_O  O  15 .   ? 11.284  2.617   -27.623 1.00 1.62  1   O  1 
HETATM 2234 C C38   . LIG_O  O  15 .   ? 11.480  3.466   -28.414 1.00 1.48  1   O  1 
HETATM 2235 C C39   . LIG_O  O  15 .   ? 11.681  4.285   -29.257 1.00 1.59  1   O  1 
HETATM 2236 C C40   . LIG_O  O  15 .   ? 11.863  5.063   -30.119 1.00 1.69  1   O  1 
HETATM 2237 C C41   . LIG_O  O  15 .   ? 12.023  5.811   -31.023 1.00 1.48  1   O  1 
HETATM 2238 C C42   . LIG_O  O  15 .   ? 12.149  6.490   -31.905 1.00 1.52  1   O  1 
HETATM 2239 C C43   . LIG_O  O  15 .   ? 12.247  7.194   -32.766 1.00 1.39  1   O  1 
HETATM 2240 C C44   . LIG_O  O  15 .   ? 12.343  7.962   -33.672 1.00 1.46  1   O  1 
HETATM 2241 C C1    . LIG_P  P  16 .   ? 2.888   7.299   -33.665 1.00 1.60  1   P  1 
HETATM 2242 C C2    . LIG_P  P  16 .   ? 3.628   6.820   -33.949 1.00 2.06  1   P  1 
HETATM 2243 C C3    . LIG_P  P  16 .   ? 4.009   5.804   -33.798 1.00 1.96  1   P  1 
HETATM 2244 C C4    . LIG_P  P  16 .   ? 4.058   4.769   -33.502 1.00 2.06  1   P  1 
HETATM 2245 C C5    . LIG_P  P  16 .   ? 4.037   3.726   -33.168 1.00 1.81  1   P  1 
HETATM 2246 C C6    . LIG_P  P  16 .   ? 3.930   2.695   -32.781 1.00 1.61  1   P  1 
HETATM 2247 C C7    . LIG_P  P  16 .   ? 3.795   1.692   -32.384 1.00 1.58  1   P  1 
HETATM 2248 C C8    . LIG_P  P  16 .   ? 3.617   0.685   -31.980 1.00 1.52  1   P  1 
HETATM 2249 C C9    . LIG_P  P  16 .   ? 3.448   -0.306  -31.571 1.00 1.56  1   P  1 
HETATM 2250 C C10   . LIG_P  P  16 .   ? 3.250   -1.350  -31.156 1.00 1.62  1   P  1 
HETATM 2251 C C11   . LIG_P  P  16 .   ? 3.047   -2.376  -30.786 1.00 1.51  1   P  1 
HETATM 2252 C C12   . LIG_P  P  16 .   ? 2.798   -3.406  -30.408 1.00 1.55  1   P  1 
HETATM 2253 C C13   . LIG_P  P  16 .   ? 2.554   -4.434  -30.073 1.00 1.36  1   P  1 
HETATM 2254 C C14   . LIG_P  P  16 .   ? 2.223   -5.469  -29.734 1.00 1.35  1   P  1 
HETATM 2255 C C15   . LIG_P  P  16 .   ? 1.935   -6.494  -29.461 1.00 1.36  1   P  1 
HETATM 2256 C C16   . LIG_P  P  16 .   ? 1.485   -7.521  -29.188 1.00 1.33  1   P  1 
HETATM 2257 C C17   . LIG_P  P  16 .   ? 1.225   -8.543  -29.004 1.00 1.24  1   P  1 
HETATM 2258 C C18   . LIG_P  P  16 .   ? 0.427   -9.498  -28.753 1.00 1.27  1   P  1 
HETATM 2259 O O1    . LIG_P  P  16 .   ? 0.131   -10.284 -29.558 1.00 1.60  1   P  1 
HETATM 2260 O O2    . LIG_P  P  16 .   ? -0.015  -9.456  -27.624 1.00 1.53  1   P  1 
HETATM 2261 C C19   . LIG_P  P  16 .   ? -1.077  -10.201 -27.342 1.00 1.23  1   P  1 
HETATM 2262 C C20   . LIG_P  P  16 .   ? -1.323  -10.222 -25.934 1.00 1.30  1   P  1 
HETATM 2263 C C21   . LIG_P  P  16 .   ? -2.313  -11.221 -25.525 1.00 1.24  1   P  1 
HETATM 2264 O O3    . LIG_P  P  16 .   ? -2.120  -12.321 -26.285 1.00 1.27  1   P  1 
HETATM 2265 P P1    . LIG_P  P  16 .   ? -2.447  -13.763 -25.844 1.00 1.26  1   P  1 
HETATM 2266 O O4    . LIG_P  P  16 .   ? -1.319  -14.298 -25.137 1.00 1.17  1   P  1 
HETATM 2267 O O5    . LIG_P  P  16 .   ? -3.693  -13.809 -25.239 1.00 1.16  1   P  1 
HETATM 2268 O O6    . LIG_P  P  16 .   ? -2.478  -14.430 -27.230 1.00 1.24  1   P  1 
HETATM 2269 C C22   . LIG_P  P  16 .   ? -3.348  -14.220 -28.089 1.00 1.27  1   P  1 
HETATM 2270 C C23   . LIG_P  P  16 .   ? -2.976  -14.536 -29.359 1.00 1.26  1   P  1 
HETATM 2271 N N1    . LIG_P  P  16 .   ? -3.945  -14.644 -30.309 1.00 1.94  1   P  1 
HETATM 2272 C C24   . LIG_P  P  16 .   ? -4.538  -13.385 -30.496 1.00 1.34  1   P  1 
HETATM 2273 C C25   . LIG_P  P  16 .   ? -4.926  -15.567 -29.868 1.00 1.34  1   P  1 
HETATM 2274 C C26   . LIG_P  P  16 .   ? -3.350  -15.097 -31.476 1.00 1.36  1   P  1 
HETATM 2275 O O7    . LIG_P  P  16 .   ? -1.578  -8.937  -25.464 1.00 1.41  1   P  1 
HETATM 2276 C C27   . LIG_P  P  16 .   ? -2.597  -8.255  -25.746 1.00 1.43  1   P  1 
HETATM 2277 O O8    . LIG_P  P  16 .   ? -3.649  -8.684  -26.030 1.00 1.44  1   P  1 
HETATM 2278 C C28   . LIG_P  P  16 .   ? -2.344  -6.960  -25.664 1.00 1.31  1   P  1 
HETATM 2279 C C29   . LIG_P  P  16 .   ? -2.089  -6.003  -26.085 1.00 1.43  1   P  1 
HETATM 2280 C C30   . LIG_P  P  16 .   ? -1.818  -4.919  -26.351 1.00 1.48  1   P  1 
HETATM 2281 C C31   . LIG_P  P  16 .   ? -1.522  -3.917  -26.745 1.00 1.44  1   P  1 
HETATM 2282 C C32   . LIG_P  P  16 .   ? -1.257  -2.873  -27.089 1.00 1.58  1   P  1 
HETATM 2283 C C33   . LIG_P  P  16 .   ? -0.985  -1.854  -27.494 1.00 1.55  1   P  1 
HETATM 2284 C C34   . LIG_P  P  16 .   ? -0.742  -0.820  -27.903 1.00 1.52  1   P  1 
HETATM 2285 C C35   . LIG_P  P  16 .   ? -0.518  0.211   -28.340 1.00 1.51  1   P  1 
HETATM 2286 C C36   . LIG_P  P  16 .   ? -0.292  1.233   -28.808 1.00 1.56  1   P  1 
HETATM 2287 C C37   . LIG_P  P  16 .   ? -0.078  2.245   -29.318 1.00 1.58  1   P  1 
HETATM 2288 C C38   . LIG_P  P  16 .   ? 0.113   3.255   -29.857 1.00 1.50  1   P  1 
HETATM 2289 C C39   . LIG_P  P  16 .   ? 0.294   4.282   -30.420 1.00 1.58  1   P  1 
HETATM 2290 C C40   . LIG_P  P  16 .   ? 0.485   5.269   -30.998 1.00 1.69  1   P  1 
HETATM 2291 C C41   . LIG_P  P  16 .   ? 0.688   6.233   -31.607 1.00 1.49  1   P  1 
HETATM 2292 C C42   . LIG_P  P  16 .   ? 0.869   7.147   -32.206 1.00 1.49  1   P  1 
HETATM 2293 C C43   . LIG_P  P  16 .   ? 0.981   8.083   -32.773 1.00 1.38  1   P  1 
HETATM 2294 C C44   . LIG_P  P  16 .   ? 1.058   9.114   -33.351 1.00 1.43  1   P  1 
HETATM 2295 C C1    . LIG_Q  Q  17 .   ? 16.200  11.036  -14.695 1.00 1.74  1   Q  1 
HETATM 2296 C C2    . LIG_Q  Q  17 .   ? 15.732  10.738  -13.844 1.00 2.00  1   Q  1 
HETATM 2297 C C3    . LIG_Q  Q  17 .   ? 15.571  10.057  -12.964 1.00 1.91  1   Q  1 
HETATM 2298 C C4    . LIG_Q  Q  17 .   ? 15.732  9.291   -12.186 1.00 2.05  1   Q  1 
HETATM 2299 C C5    . LIG_Q  Q  17 .   ? 15.970  8.489   -11.450 1.00 1.86  1   Q  1 
HETATM 2300 C C6    . LIG_Q  Q  17 .   ? 16.280  7.635   -10.796 1.00 1.70  1   Q  1 
HETATM 2301 C C7    . LIG_Q  Q  17 .   ? 16.573  6.764   -10.208 1.00 1.64  1   Q  1 
HETATM 2302 C C8    . LIG_Q  Q  17 .   ? 16.863  5.827   -9.718  1.00 1.61  1   Q  1 
HETATM 2303 C C9    . LIG_Q  Q  17 .   ? 17.081  4.872   -9.275  1.00 1.72  1   Q  1 
HETATM 2304 C C10   . LIG_Q  Q  17 .   ? 17.227  3.833   -8.858  1.00 1.76  1   Q  1 
HETATM 2305 C C11   . LIG_Q  Q  17 .   ? 17.283  2.804   -8.481  1.00 1.66  1   Q  1 
HETATM 2306 C C12   . LIG_Q  Q  17 .   ? 17.336  1.753   -8.120  1.00 1.68  1   Q  1 
HETATM 2307 C C13   . LIG_Q  Q  17 .   ? 17.282  0.718   -7.765  1.00 1.42  1   Q  1 
HETATM 2308 C C14   . LIG_Q  Q  17 .   ? 17.291  -0.360  -7.510  1.00 1.39  1   Q  1 
HETATM 2309 C C15   . LIG_Q  Q  17 .   ? 17.171  -1.394  -7.192  1.00 1.39  1   Q  1 
HETATM 2310 C C16   . LIG_Q  Q  17 .   ? 17.229  -2.530  -7.081  1.00 1.37  1   Q  1 
HETATM 2311 C C17   . LIG_Q  Q  17 .   ? 17.014  -3.585  -6.824  1.00 1.26  1   Q  1 
HETATM 2312 C C18   . LIG_Q  Q  17 .   ? 17.403  -4.792  -7.057  1.00 1.32  1   Q  1 
HETATM 2313 O O1    . LIG_Q  Q  17 .   ? 16.772  -5.738  -6.777  1.00 1.67  1   Q  1 
HETATM 2314 O O2    . LIG_Q  Q  17 .   ? 18.463  -4.803  -7.661  1.00 1.61  1   Q  1 
HETATM 2315 C C19   . LIG_Q  Q  17 .   ? 18.937  -5.962  -8.044  1.00 1.22  1   Q  1 
HETATM 2316 C C20   . LIG_Q  Q  17 .   ? 20.094  -5.866  -8.908  1.00 1.27  1   Q  1 
HETATM 2317 C C21   . LIG_Q  Q  17 .   ? 21.242  -6.525  -8.246  1.00 1.24  1   Q  1 
HETATM 2318 O O3    . LIG_Q  Q  17 .   ? 21.345  -7.792  -8.664  1.00 1.26  1   Q  1 
HETATM 2319 P P1    . LIG_Q  Q  17 .   ? 22.692  -8.526  -8.541  1.00 1.22  1   Q  1 
HETATM 2320 O O4    . LIG_Q  Q  17 .   ? 22.767  -9.409  -9.669  1.00 1.17  1   Q  1 
HETATM 2321 O O5    . LIG_Q  Q  17 .   ? 23.721  -7.690  -8.214  1.00 1.19  1   Q  1 
HETATM 2322 O O6    . LIG_Q  Q  17 .   ? 22.377  -9.414  -7.279  1.00 1.25  1   Q  1 
HETATM 2323 C C22   . LIG_Q  Q  17 .   ? 23.262  -10.188 -6.819  1.00 1.27  1   Q  1 
HETATM 2324 C C23   . LIG_Q  Q  17 .   ? 22.839  -11.030 -5.832  1.00 1.26  1   Q  1 
HETATM 2325 N N1    . LIG_Q  Q  17 .   ? 22.213  -12.211 -6.191  1.00 1.90  1   Q  1 
HETATM 2326 C C24   . LIG_Q  Q  17 .   ? 22.247  -13.088 -5.097  1.00 1.29  1   Q  1 
HETATM 2327 C C25   . LIG_Q  Q  17 .   ? 20.866  -11.916 -6.520  1.00 1.31  1   Q  1 
HETATM 2328 C C26   . LIG_Q  Q  17 .   ? 22.862  -12.826 -7.290  1.00 1.33  1   Q  1 
HETATM 2329 O O7    . LIG_Q  Q  17 .   ? 20.457  -4.545  -9.126  1.00 1.43  1   Q  1 
HETATM 2330 C C27   . LIG_Q  Q  17 .   ? 20.321  -4.151  -10.319 1.00 1.42  1   Q  1 
HETATM 2331 O O8    . LIG_Q  Q  17 .   ? 20.037  -4.895  -11.209 1.00 1.46  1   Q  1 
HETATM 2332 C C28   . LIG_Q  Q  17 .   ? 20.454  -2.879  -10.501 1.00 1.32  1   Q  1 
HETATM 2333 C C29   . LIG_Q  Q  17 .   ? 20.276  -2.080  -11.248 1.00 1.44  1   Q  1 
HETATM 2334 C C30   . LIG_Q  Q  17 .   ? 20.179  -1.066  -11.726 1.00 1.44  1   Q  1 
HETATM 2335 C C31   . LIG_Q  Q  17 .   ? 19.993  -0.140  -12.306 1.00 1.41  1   Q  1 
HETATM 2336 C C32   . LIG_Q  Q  17 .   ? 19.801  0.839   -12.793 1.00 1.54  1   Q  1 
HETATM 2337 C C33   . LIG_Q  Q  17 .   ? 19.577  1.807   -13.298 1.00 1.51  1   Q  1 
HETATM 2338 C C34   . LIG_Q  Q  17 .   ? 19.361  2.809   -13.754 1.00 1.53  1   Q  1 
HETATM 2339 C C35   . LIG_Q  Q  17 .   ? 19.157  3.818   -14.190 1.00 1.52  1   Q  1 
HETATM 2340 C C36   . LIG_Q  Q  17 .   ? 18.974  4.848   -14.587 1.00 1.60  1   Q  1 
HETATM 2341 C C37   . LIG_Q  Q  17 .   ? 18.784  5.880   -14.962 1.00 1.65  1   Q  1 
HETATM 2342 C C38   . LIG_Q  Q  17 .   ? 18.595  6.902   -15.334 1.00 1.54  1   Q  1 
HETATM 2343 C C39   . LIG_Q  Q  17 .   ? 18.398  7.938   -15.704 1.00 1.64  1   Q  1 
HETATM 2344 C C40   . LIG_Q  Q  17 .   ? 18.193  8.955   -16.064 1.00 1.79  1   Q  1 
HETATM 2345 C C41   . LIG_Q  Q  17 .   ? 17.960  9.965   -16.414 1.00 1.50  1   Q  1 
HETATM 2346 C C42   . LIG_Q  Q  17 .   ? 17.756  10.920  -16.748 1.00 1.51  1   Q  1 
HETATM 2347 C C43   . LIG_Q  Q  17 .   ? 17.565  11.863  -17.158 1.00 1.37  1   Q  1 
HETATM 2348 C C44   . LIG_Q  Q  17 .   ? 17.396  12.831  -17.651 1.00 1.45  1   Q  1 
HETATM 2349 C C1    . LIG_R  R  18 .   ? 27.400  9.160   -20.490 1.00 1.72  1   R  1 
HETATM 2350 C C2    . LIG_R  R  18 .   ? 28.143  9.095   -19.925 1.00 2.32  1   R  1 
HETATM 2351 C C3    . LIG_R  R  18 .   ? 28.506  8.434   -19.101 1.00 2.21  1   R  1 
HETATM 2352 C C4    . LIG_R  R  18 .   ? 28.646  7.676   -18.352 1.00 2.34  1   R  1 
HETATM 2353 C C5    . LIG_R  R  18 .   ? 28.656  6.887   -17.589 1.00 1.95  1   R  1 
HETATM 2354 C C6    . LIG_R  R  18 .   ? 28.486  6.083   -16.872 1.00 1.73  1   R  1 
HETATM 2355 C C7    . LIG_R  R  18 .   ? 28.216  5.309   -16.179 1.00 1.73  1   R  1 
HETATM 2356 C C8    . LIG_R  R  18 .   ? 27.868  4.538   -15.503 1.00 1.59  1   R  1 
HETATM 2357 C C9    . LIG_R  R  18 .   ? 27.483  3.790   -14.844 1.00 1.66  1   R  1 
HETATM 2358 C C10   . LIG_R  R  18 .   ? 27.072  3.008   -14.149 1.00 1.70  1   R  1 
HETATM 2359 C C11   . LIG_R  R  18 .   ? 26.677  2.263   -13.458 1.00 1.58  1   R  1 
HETATM 2360 C C12   . LIG_R  R  18 .   ? 26.313  1.494   -12.750 1.00 1.62  1   R  1 
HETATM 2361 C C13   . LIG_R  R  18 .   ? 25.983  0.733   -12.040 1.00 1.36  1   R  1 
HETATM 2362 C C14   . LIG_R  R  18 .   ? 25.697  -0.104  -11.379 1.00 1.33  1   R  1 
HETATM 2363 C C15   . LIG_R  R  18 .   ? 25.462  -0.887  -10.673 1.00 1.32  1   R  1 
HETATM 2364 C C16   . LIG_R  R  18 .   ? 25.247  -1.826  -10.091 1.00 1.31  1   R  1 
HETATM 2365 C C17   . LIG_R  R  18 .   ? 25.125  -2.612  -9.352  1.00 1.24  1   R  1 
HETATM 2366 C C18   . LIG_R  R  18 .   ? 25.093  -3.882  -9.204  1.00 1.27  1   R  1 
HETATM 2367 O O1    . LIG_R  R  18 .   ? 25.406  -4.394  -8.199  1.00 1.60  1   R  1 
HETATM 2368 O O2    . LIG_R  R  18 .   ? 24.731  -4.446  -10.222 1.00 1.54  1   R  1 
HETATM 2369 C C19   . LIG_R  R  18 .   ? 24.996  -5.706  -10.305 1.00 1.21  1   R  1 
HETATM 2370 C C20   . LIG_R  R  18 .   ? 24.480  -6.329  -11.489 1.00 1.25  1   R  1 
HETATM 2371 C C21   . LIG_R  R  18 .   ? 25.446  -7.361  -11.857 1.00 1.24  1   R  1 
HETATM 2372 O O3    . LIG_R  R  18 .   ? 24.812  -8.340  -12.394 1.00 1.26  1   R  1 
HETATM 2373 P P1    . LIG_R  R  18 .   ? 25.594  -9.397  -13.135 1.00 1.24  1   R  1 
HETATM 2374 O O4    . LIG_R  R  18 .   ? 26.810  -9.683  -12.441 1.00 1.19  1   R  1 
HETATM 2375 O O5    . LIG_R  R  18 .   ? 25.603  -9.082  -14.466 1.00 1.20  1   R  1 
HETATM 2376 O O6    . LIG_R  R  18 .   ? 24.671  -10.567 -12.782 1.00 1.25  1   R  1 
HETATM 2377 C C22   . LIG_R  R  18 .   ? 23.684  -10.861 -13.377 1.00 1.32  1   R  1 
HETATM 2378 C C23   . LIG_R  R  18 .   ? 23.959  -11.424 -14.594 1.00 1.27  1   R  1 
HETATM 2379 N N1    . LIG_R  R  18 .   ? 23.642  -12.719 -14.760 1.00 1.98  1   R  1 
HETATM 2380 C C24   . LIG_R  R  18 .   ? 24.625  -13.534 -14.219 1.00 1.35  1   R  1 
HETATM 2381 C C25   . LIG_R  R  18 .   ? 22.496  -13.030 -14.062 1.00 1.35  1   R  1 
HETATM 2382 C C26   . LIG_R  R  18 .   ? 23.534  -12.956 -16.112 1.00 1.40  1   R  1 
HETATM 2383 O O7    . LIG_R  R  18 .   ? 24.350  -5.464  -12.532 1.00 1.39  1   R  1 
HETATM 2384 C C27   . LIG_R  R  18 .   ? 23.243  -5.452  -13.104 1.00 1.39  1   R  1 
HETATM 2385 O O8    . LIG_R  R  18 .   ? 22.385  -6.254  -12.894 1.00 1.45  1   R  1 
HETATM 2386 C C28   . LIG_R  R  18 .   ? 23.100  -4.470  -13.881 1.00 1.32  1   R  1 
HETATM 2387 C C29   . LIG_R  R  18 .   ? 23.147  -3.438  -14.126 1.00 1.45  1   R  1 
HETATM 2388 C C30   . LIG_R  R  18 .   ? 23.120  -2.421  -14.570 1.00 1.45  1   R  1 
HETATM 2389 C C31   . LIG_R  R  18 .   ? 23.140  -1.384  -14.928 1.00 1.43  1   R  1 
HETATM 2390 C C32   . LIG_R  R  18 .   ? 23.184  -0.371  -15.343 1.00 1.54  1   R  1 
HETATM 2391 C C33   . LIG_R  R  18 .   ? 23.281  0.637   -15.770 1.00 1.48  1   R  1 
HETATM 2392 C C34   . LIG_R  R  18 .   ? 23.428  1.618   -16.255 1.00 1.51  1   R  1 
HETATM 2393 C C35   . LIG_R  R  18 .   ? 23.616  2.573   -16.772 1.00 1.49  1   R  1 
HETATM 2394 C C36   . LIG_R  R  18 .   ? 23.825  3.498   -17.343 1.00 1.59  1   R  1 
HETATM 2395 C C37   . LIG_R  R  18 .   ? 24.063  4.400   -17.951 1.00 1.67  1   R  1 
HETATM 2396 C C38   . LIG_R  R  18 .   ? 24.306  5.278   -18.585 1.00 1.54  1   R  1 
HETATM 2397 C C39   . LIG_R  R  18 .   ? 24.575  6.156   -19.247 1.00 1.66  1   R  1 
HETATM 2398 C C40   . LIG_R  R  18 .   ? 24.865  6.998   -19.900 1.00 1.83  1   R  1 
HETATM 2399 C C41   . LIG_R  R  18 .   ? 25.171  7.831   -20.562 1.00 1.55  1   R  1 
HETATM 2400 C C42   . LIG_R  R  18 .   ? 25.507  8.589   -21.210 1.00 1.64  1   R  1 
HETATM 2401 C C43   . LIG_R  R  18 .   ? 25.791  9.338   -21.895 1.00 1.41  1   R  1 
HETATM 2402 C C44   . LIG_R  R  18 .   ? 26.039  10.139  -22.664 1.00 1.53  1   R  1 
HETATM 2403 C C1    . LIG_S  S  19 .   ? -3.464  14.036  -22.013 1.00 1.80  1   S  1 
HETATM 2404 C C2    . LIG_S  S  19 .   ? -3.796  14.489  -21.058 1.00 2.09  1   S  1 
HETATM 2405 C C3    . LIG_S  S  19 .   ? -4.081  14.029  -20.044 1.00 1.95  1   S  1 
HETATM 2406 C C4    . LIG_S  S  19 .   ? -4.265  13.192  -19.290 1.00 2.15  1   S  1 
HETATM 2407 C C5    . LIG_S  S  19 .   ? -4.418  12.317  -18.560 1.00 1.97  1   S  1 
HETATM 2408 C C6    . LIG_S  S  19 .   ? -4.524  11.338  -17.955 1.00 1.83  1   S  1 
HETATM 2409 C C7    . LIG_S  S  19 .   ? -4.600  10.330  -17.448 1.00 1.81  1   S  1 
HETATM 2410 C C8    . LIG_S  S  19 .   ? -4.668  9.276   -17.030 1.00 1.85  1   S  1 
HETATM 2411 C C9    . LIG_S  S  19 .   ? -4.703  8.225   -16.670 1.00 1.98  1   S  1 
HETATM 2412 C C10   . LIG_S  S  19 .   ? -4.711  7.123   -16.318 1.00 2.10  1   S  1 
HETATM 2413 C C11   . LIG_S  S  19 .   ? -4.689  6.045   -15.983 1.00 2.06  1   S  1 
HETATM 2414 C C12   . LIG_S  S  19 .   ? -4.629  4.954   -15.634 1.00 2.13  1   S  1 
HETATM 2415 C C13   . LIG_S  S  19 .   ? -4.504  3.883   -15.284 1.00 1.72  1   S  1 
HETATM 2416 C C14   . LIG_S  S  19 .   ? -4.392  2.789   -14.930 1.00 1.76  1   S  1 
HETATM 2417 C C15   . LIG_S  S  19 .   ? -4.207  1.749   -14.631 1.00 1.86  1   S  1 
HETATM 2418 C C16   . LIG_S  S  19 .   ? -4.093  0.639   -14.270 1.00 1.85  1   S  1 
HETATM 2419 C C17   . LIG_S  S  19 .   ? -3.775  -0.369  -14.141 1.00 1.51  1   S  1 
HETATM 2420 C C18   . LIG_S  S  19 .   ? -3.855  -1.578  -13.675 1.00 1.73  1   S  1 
HETATM 2421 O O1    . LIG_S  S  19 .   ? -4.608  -1.875  -12.839 1.00 2.35  1   S  1 
HETATM 2422 O O2    . LIG_S  S  19 .   ? -3.082  -2.362  -14.212 1.00 2.06  1   S  1 
HETATM 2423 C C19   . LIG_S  S  19 .   ? -3.169  -3.639  -13.885 1.00 1.67  1   S  1 
HETATM 2424 C C20   . LIG_S  S  19 .   ? -2.925  -4.539  -15.005 1.00 1.97  1   S  1 
HETATM 2425 C C21   . LIG_S  S  19 .   ? -2.224  -5.757  -14.561 1.00 1.86  1   S  1 
HETATM 2426 O O3    . LIG_S  S  19 .   ? -2.984  -6.455  -13.760 1.00 1.65  1   S  1 
HETATM 2427 P P1    . LIG_S  S  19 .   ? -2.333  -7.631  -13.016 1.00 1.65  1   S  1 
HETATM 2428 O O4    . LIG_S  S  19 .   ? -1.715  -7.111  -11.874 1.00 1.50  1   S  1 
HETATM 2429 O O5    . LIG_S  S  19 .   ? -1.601  -8.459  -13.891 1.00 1.48  1   S  1 
HETATM 2430 O O6    . LIG_S  S  19 .   ? -3.640  -8.373  -12.691 1.00 1.56  1   S  1 
HETATM 2431 C C22   . LIG_S  S  19 .   ? -4.159  -8.459  -11.634 1.00 1.89  1   S  1 
HETATM 2432 C C23   . LIG_S  S  19 .   ? -4.079  -9.707  -11.042 1.00 1.69  1   S  1 
HETATM 2433 N N1    . LIG_S  S  19 .   ? -5.196  -10.167 -10.418 1.00 2.77  1   S  1 
HETATM 2434 C C24   . LIG_S  S  19 .   ? -4.838  -11.291 -9.649  1.00 1.84  1   S  1 
HETATM 2435 C C25   . LIG_S  S  19 .   ? -6.177  -10.512 -11.371 1.00 1.92  1   S  1 
HETATM 2436 C C26   . LIG_S  S  19 .   ? -5.735  -9.203  -9.586  1.00 2.06  1   S  1 
HETATM 2437 O O7    . LIG_S  S  19 .   ? -2.073  -3.935  -15.919 1.00 1.86  1   S  1 
HETATM 2438 C C27   . LIG_S  S  19 .   ? -2.646  -3.494  -16.957 1.00 1.93  1   S  1 
HETATM 2439 O O8    . LIG_S  S  19 .   ? -3.782  -3.780  -17.208 1.00 1.82  1   S  1 
HETATM 2440 C C28   . LIG_S  S  19 .   ? -1.955  -2.644  -17.663 1.00 1.82  1   S  1 
HETATM 2441 C C29   . LIG_S  S  19 .   ? -2.139  -1.582  -18.081 1.00 1.93  1   S  1 
HETATM 2442 C C30   . LIG_S  S  19 .   ? -2.011  -0.555  -18.529 1.00 1.81  1   S  1 
HETATM 2443 C C31   . LIG_S  S  19 .   ? -2.064  0.513   -18.913 1.00 1.67  1   S  1 
HETATM 2444 C C32   . LIG_S  S  19 .   ? -2.048  1.554   -19.313 1.00 1.83  1   S  1 
HETATM 2445 C C33   . LIG_S  S  19 .   ? -2.057  2.607   -19.730 1.00 1.80  1   S  1 
HETATM 2446 C C34   . LIG_S  S  19 .   ? -2.032  3.647   -20.192 1.00 1.78  1   S  1 
HETATM 2447 C C35   . LIG_S  S  19 .   ? -2.019  4.686   -20.663 1.00 1.73  1   S  1 
HETATM 2448 C C36   . LIG_S  S  19 .   ? -2.001  5.715   -21.155 1.00 1.83  1   S  1 
HETATM 2449 C C37   . LIG_S  S  19 .   ? -2.017  6.754   -21.648 1.00 1.85  1   S  1 
HETATM 2450 C C38   . LIG_S  S  19 .   ? -2.071  7.796   -22.136 1.00 1.68  1   S  1 
HETATM 2451 C C39   . LIG_S  S  19 .   ? -2.163  8.861   -22.620 1.00 1.74  1   S  1 
HETATM 2452 C C40   . LIG_S  S  19 .   ? -2.281  9.914   -23.038 1.00 1.89  1   S  1 
HETATM 2453 C C41   . LIG_S  S  19 .   ? -2.413  10.983  -23.446 1.00 1.55  1   S  1 
HETATM 2454 C C42   . LIG_S  S  19 .   ? -2.541  11.956  -23.852 1.00 1.58  1   S  1 
HETATM 2455 C C43   . LIG_S  S  19 .   ? -2.637  12.882  -24.399 1.00 1.41  1   S  1 
HETATM 2456 C C44   . LIG_S  S  19 .   ? -2.695  13.804  -25.088 1.00 1.44  1   S  1 
HETATM 2457 C C1    . LIG_T  T  20 .   ? 19.527  10.331  -27.731 1.00 1.67  1   T  1 
HETATM 2458 C C2    . LIG_T  T  20 .   ? 19.679  10.512  -28.683 1.00 2.09  1   T  1 
HETATM 2459 C C3    . LIG_T  T  20 .   ? 19.784  9.713   -29.343 1.00 1.98  1   T  1 
HETATM 2460 C C4    . LIG_T  T  20 .   ? 19.922  8.681   -29.536 1.00 2.17  1   T  1 
HETATM 2461 C C5    . LIG_T  T  20 .   ? 20.061  7.619   -29.639 1.00 1.88  1   T  1 
HETATM 2462 C C6    . LIG_T  T  20 .   ? 20.220  6.552   -29.585 1.00 1.72  1   T  1 
HETATM 2463 C C7    . LIG_T  T  20 .   ? 20.351  5.505   -29.479 1.00 1.65  1   T  1 
HETATM 2464 C C8    . LIG_T  T  20 .   ? 20.486  4.451   -29.319 1.00 1.57  1   T  1 
HETATM 2465 C C9    . LIG_T  T  20 .   ? 20.605  3.417   -29.160 1.00 1.60  1   T  1 
HETATM 2466 C C10   . LIG_T  T  20 .   ? 20.713  2.329   -28.979 1.00 1.64  1   T  1 
HETATM 2467 C C11   . LIG_T  T  20 .   ? 20.798  1.282   -28.810 1.00 1.56  1   T  1 
HETATM 2468 C C12   . LIG_T  T  20 .   ? 20.846  0.203   -28.618 1.00 1.59  1   T  1 
HETATM 2469 C C13   . LIG_T  T  20 .   ? 20.869  -0.850  -28.426 1.00 1.38  1   T  1 
HETATM 2470 C C14   . LIG_T  T  20 .   ? 20.899  -1.932  -28.209 1.00 1.36  1   T  1 
HETATM 2471 C C15   . LIG_T  T  20 .   ? 20.948  -2.949  -27.973 1.00 1.32  1   T  1 
HETATM 2472 C C16   . LIG_T  T  20 .   ? 21.008  -4.045  -27.716 1.00 1.32  1   T  1 
HETATM 2473 C C17   . LIG_T  T  20 .   ? 21.104  -4.937  -27.277 1.00 1.21  1   T  1 
HETATM 2474 C C18   . LIG_T  T  20 .   ? 21.111  -6.162  -27.089 1.00 1.23  1   T  1 
HETATM 2475 O O1    . LIG_T  T  20 .   ? 21.005  -6.922  -27.964 1.00 1.50  1   T  1 
HETATM 2476 O O2    . LIG_T  T  20 .   ? 21.200  -6.438  -25.941 1.00 1.45  1   T  1 
HETATM 2477 C C19   . LIG_T  T  20 .   ? 21.066  -7.683  -25.658 1.00 1.17  1   T  1 
HETATM 2478 C C20   . LIG_T  T  20 .   ? 21.020  -7.875  -24.253 1.00 1.23  1   T  1 
HETATM 2479 C C21   . LIG_T  T  20 .   ? 20.816  -9.294  -23.979 1.00 1.21  1   T  1 
HETATM 2480 O O3    . LIG_T  T  20 .   ? 21.711  -9.680  -23.086 1.00 1.24  1   T  1 
HETATM 2481 P P1    . LIG_T  T  20 .   ? 21.338  -10.620 -21.977 1.00 1.21  1   T  1 
HETATM 2482 O O4    . LIG_T  T  20 .   ? 22.503  -10.747 -21.155 1.00 1.17  1   T  1 
HETATM 2483 O O5    . LIG_T  T  20 .   ? 20.135  -10.298 -21.374 1.00 1.15  1   T  1 
HETATM 2484 O O6    . LIG_T  T  20 .   ? 21.127  -11.901 -22.795 1.00 1.21  1   T  1 
HETATM 2485 C C22   . LIG_T  T  20 .   ? 21.187  -13.004 -22.261 1.00 1.27  1   T  1 
HETATM 2486 C C23   . LIG_T  T  20 .   ? 21.416  -14.013 -23.143 1.00 1.24  1   T  1 
HETATM 2487 N N1    . LIG_T  T  20 .   ? 22.689  -14.524 -23.242 1.00 1.92  1   T  1 
HETATM 2488 C C24   . LIG_T  T  20 .   ? 23.295  -14.608 -21.965 1.00 1.32  1   T  1 
HETATM 2489 C C25   . LIG_T  T  20 .   ? 23.449  -13.677 -24.066 1.00 1.35  1   T  1 
HETATM 2490 C C26   . LIG_T  T  20 .   ? 22.625  -15.789 -23.789 1.00 1.33  1   T  1 
HETATM 2491 O O7    . LIG_T  T  20 .   ? 19.940  -7.179  -23.751 1.00 1.32  1   T  1 
HETATM 2492 C C27   . LIG_T  T  20 .   ? 20.186  -6.415  -22.818 1.00 1.32  1   T  1 
HETATM 2493 O O8    . LIG_T  T  20 .   ? 21.215  -6.433  -22.215 1.00 1.36  1   T  1 
HETATM 2494 C C28   . LIG_T  T  20 .   ? 19.270  -5.554  -22.594 1.00 1.27  1   T  1 
HETATM 2495 C C29   . LIG_T  T  20 .   ? 19.180  -4.471  -22.476 1.00 1.38  1   T  1 
HETATM 2496 C C30   . LIG_T  T  20 .   ? 18.861  -3.438  -22.441 1.00 1.40  1   T  1 
HETATM 2497 C C31   . LIG_T  T  20 .   ? 18.668  -2.362  -22.484 1.00 1.35  1   T  1 
HETATM 2498 C C32   . LIG_T  T  20 .   ? 18.446  -1.303  -22.576 1.00 1.50  1   T  1 
HETATM 2499 C C33   . LIG_T  T  20 .   ? 18.296  -0.225  -22.738 1.00 1.44  1   T  1 
HETATM 2500 C C34   . LIG_T  T  20 .   ? 18.164  0.838   -22.972 1.00 1.47  1   T  1 
HETATM 2501 C C35   . LIG_T  T  20 .   ? 18.070  1.897   -23.263 1.00 1.42  1   T  1 
HETATM 2502 C C36   . LIG_T  T  20 .   ? 18.046  2.951   -23.618 1.00 1.51  1   T  1 
HETATM 2503 C C37   . LIG_T  T  20 .   ? 18.100  3.997   -24.012 1.00 1.56  1   T  1 
HETATM 2504 C C38   . LIG_T  T  20 .   ? 18.209  5.057   -24.399 1.00 1.43  1   T  1 
HETATM 2505 C C39   . LIG_T  T  20 .   ? 18.377  6.138   -24.772 1.00 1.53  1   T  1 
HETATM 2506 C C40   . LIG_T  T  20 .   ? 18.581  7.207   -25.103 1.00 1.71  1   T  1 
HETATM 2507 C C41   . LIG_T  T  20 .   ? 18.827  8.273   -25.405 1.00 1.51  1   T  1 
HETATM 2508 C C42   . LIG_T  T  20 .   ? 19.129  9.281   -25.658 1.00 1.54  1   T  1 
HETATM 2509 C C43   . LIG_T  T  20 .   ? 19.454  10.280  -25.811 1.00 1.40  1   T  1 
HETATM 2510 C C44   . LIG_T  T  20 .   ? 19.846  11.393  -25.852 1.00 1.45  1   T  1 
HETATM 2511 C C1    . LIG_U  U  21 .   ? 10.365  12.655  -11.415 1.00 1.83  1   U  1 
HETATM 2512 C C2    . LIG_U  U  21 .   ? 9.587   12.538  -11.219 1.00 1.94  1   U  1 
HETATM 2513 C C3    . LIG_U  U  21 .   ? 8.829   11.987  -10.729 1.00 1.82  1   U  1 
HETATM 2514 C C4    . LIG_U  U  21 .   ? 8.255   11.388  -10.148 1.00 2.05  1   U  1 
HETATM 2515 C C5    . LIG_U  U  21 .   ? 7.769   10.725  -9.505  1.00 1.85  1   U  1 
HETATM 2516 C C6    . LIG_U  U  21 .   ? 7.398   10.028  -8.813  1.00 1.76  1   U  1 
HETATM 2517 C C7    . LIG_U  U  21 .   ? 7.126   9.314   -8.107  1.00 1.65  1   U  1 
HETATM 2518 C C8    . LIG_U  U  21 .   ? 6.958   8.574   -7.378  1.00 1.70  1   U  1 
HETATM 2519 C C9    . LIG_U  U  21 .   ? 6.889   7.816   -6.679  1.00 1.83  1   U  1 
HETATM 2520 C C10   . LIG_U  U  21 .   ? 6.931   6.976   -5.990  1.00 1.92  1   U  1 
HETATM 2521 C C11   . LIG_U  U  21 .   ? 7.076   6.121   -5.381  1.00 1.90  1   U  1 
HETATM 2522 C C12   . LIG_U  U  21 .   ? 7.324   5.231   -4.810  1.00 1.93  1   U  1 
HETATM 2523 C C13   . LIG_U  U  21 .   ? 7.655   4.355   -4.296  1.00 1.58  1   U  1 
HETATM 2524 C C14   . LIG_U  U  21 .   ? 8.000   3.443   -3.782  1.00 1.57  1   U  1 
HETATM 2525 C C15   . LIG_U  U  21 .   ? 8.392   2.574   -3.352  1.00 1.57  1   U  1 
HETATM 2526 C C16   . LIG_U  U  21 .   ? 8.742   1.643   -2.821  1.00 1.59  1   U  1 
HETATM 2527 C C17   . LIG_U  U  21 .   ? 9.240   0.814   -2.533  1.00 1.41  1   U  1 
HETATM 2528 C C18   . LIG_U  U  21 .   ? 9.435   -0.210  -1.822  1.00 1.55  1   U  1 
HETATM 2529 O O1    . LIG_U  U  21 .   ? 8.771   -0.464  -0.894  1.00 2.18  1   U  1 
HETATM 2530 O O2    . LIG_U  U  21 .   ? 10.352  -0.865  -2.246  1.00 1.90  1   U  1 
HETATM 2531 C C19   . LIG_U  U  21 .   ? 10.617  -1.940  -1.576  1.00 1.46  1   U  1 
HETATM 2532 C C20   . LIG_U  U  21 .   ? 11.268  -2.945  -2.359  1.00 1.53  1   U  1 
HETATM 2533 C C21   . LIG_U  U  21 .   ? 11.925  -3.928  -1.474  1.00 1.45  1   U  1 
HETATM 2534 O O3    . LIG_U  U  21 .   ? 11.026  -4.495  -0.693  1.00 1.50  1   U  1 
HETATM 2535 P P1    . LIG_U  U  21 .   ? 11.419  -5.663  0.210   1.00 1.59  1   U  1 
HETATM 2536 O O4    . LIG_U  U  21 .   ? 10.304  -5.875  1.078   1.00 1.45  1   U  1 
HETATM 2537 O O5    . LIG_U  U  21 .   ? 12.705  -5.501  0.714   1.00 1.41  1   U  1 
HETATM 2538 O O6    . LIG_U  U  21 .   ? 11.429  -6.750  -0.890  1.00 1.53  1   U  1 
HETATM 2539 C C22   . LIG_U  U  21 .   ? 11.378  -7.928  -0.699  1.00 1.66  1   U  1 
HETATM 2540 C C23   . LIG_U  U  21 .   ? 10.967  -8.759  -1.661  1.00 1.64  1   U  1 
HETATM 2541 N N1    . LIG_U  U  21 .   ? 11.124  -8.586  -3.011  1.00 2.59  1   U  1 
HETATM 2542 C C24   . LIG_U  U  21 .   ? 12.492  -8.671  -3.341  1.00 1.76  1   U  1 
HETATM 2543 C C25   . LIG_U  U  21 .   ? 10.586  -7.347  -3.400  1.00 2.08  1   U  1 
HETATM 2544 C C26   . LIG_U  U  21 .   ? 10.412  -9.586  -3.656  1.00 2.03  1   U  1 
HETATM 2545 O O7    . LIG_U  U  21 .   ? 12.264  -2.374  -3.121  1.00 1.69  1   U  1 
HETATM 2546 C C27   . LIG_U  U  21 .   ? 12.206  -2.647  -4.342  1.00 1.65  1   U  1 
HETATM 2547 O O8    . LIG_U  U  21 .   ? 11.464  -3.478  -4.773  1.00 1.67  1   U  1 
HETATM 2548 C C28   . LIG_U  U  21 .   ? 12.942  -1.882  -5.088  1.00 1.50  1   U  1 
HETATM 2549 C C29   . LIG_U  U  21 .   ? 12.745  -1.048  -5.827  1.00 1.62  1   U  1 
HETATM 2550 C C30   . LIG_U  U  21 .   ? 12.765  -0.168  -6.495  1.00 1.62  1   U  1 
HETATM 2551 C C31   . LIG_U  U  21 .   ? 12.591  0.750   -7.091  1.00 1.54  1   U  1 
HETATM 2552 C C32   . LIG_U  U  21 .   ? 12.512  1.696   -7.621  1.00 1.68  1   U  1 
HETATM 2553 C C33   . LIG_U  U  21 .   ? 12.386  2.691   -8.068  1.00 1.62  1   U  1 
HETATM 2554 C C34   . LIG_U  U  21 .   ? 12.309  3.717   -8.449  1.00 1.68  1   U  1 
HETATM 2555 C C35   . LIG_U  U  21 .   ? 12.246  4.757   -8.787  1.00 1.62  1   U  1 
HETATM 2556 C C36   . LIG_U  U  21 .   ? 12.202  5.804   -9.099  1.00 1.76  1   U  1 
HETATM 2557 C C37   . LIG_U  U  21 .   ? 12.160  6.860   -9.393  1.00 1.80  1   U  1 
HETATM 2558 C C38   . LIG_U  U  21 .   ? 12.145  7.902   -9.709  1.00 1.59  1   U  1 
HETATM 2559 C C39   . LIG_U  U  21 .   ? 12.133  8.943   -10.090 1.00 1.65  1   U  1 
HETATM 2560 C C40   . LIG_U  U  21 .   ? 12.110  9.945   -10.504 1.00 1.91  1   U  1 
HETATM 2561 C C41   . LIG_U  U  21 .   ? 12.057  10.936  -10.964 1.00 1.55  1   U  1 
HETATM 2562 C C42   . LIG_U  U  21 .   ? 12.016  11.872  -11.428 1.00 1.50  1   U  1 
HETATM 2563 C C43   . LIG_U  U  21 .   ? 12.001  12.818  -11.926 1.00 1.38  1   U  1 
HETATM 2564 C C44   . LIG_U  U  21 .   ? 12.054  13.793  -12.489 1.00 1.39  1   U  1 
HETATM 2565 C C1    . LIG_V  V  22 .   ? 14.206  14.095  -21.691 1.00 1.64  1   V  1 
HETATM 2566 C C2    . LIG_V  V  22 .   ? 15.105  13.843  -21.793 1.00 2.01  1   V  1 
HETATM 2567 C C3    . LIG_V  V  22 .   ? 16.125  14.143  -21.741 1.00 1.87  1   V  1 
HETATM 2568 C C4    . LIG_V  V  22 .   ? 16.974  14.731  -21.711 1.00 2.08  1   V  1 
HETATM 2569 C C5    . LIG_V  V  22 .   ? 17.798  15.404  -21.665 1.00 1.83  1   V  1 
HETATM 2570 C C6    . LIG_V  V  22 .   ? 18.537  16.163  -21.667 1.00 1.69  1   V  1 
HETATM 2571 C C7    . LIG_V  V  22 .   ? 19.240  16.939  -21.709 1.00 1.69  1   V  1 
HETATM 2572 C C8    . LIG_V  V  22 .   ? 19.902  17.747  -21.832 1.00 1.59  1   V  1 
HETATM 2573 C C9    . LIG_V  V  22 .   ? 20.551  18.536  -22.003 1.00 1.71  1   V  1 
HETATM 2574 C C10   . LIG_V  V  22 .   ? 21.200  19.343  -22.271 1.00 1.74  1   V  1 
HETATM 2575 C C11   . LIG_V  V  22 .   ? 21.795  20.142  -22.633 1.00 1.67  1   V  1 
HETATM 2576 C C12   . LIG_V  V  22 .   ? 22.301  20.963  -23.063 1.00 1.72  1   V  1 
HETATM 2577 C C13   . LIG_V  V  22 .   ? 22.749  21.777  -23.586 1.00 1.45  1   V  1 
HETATM 2578 C C14   . LIG_V  V  22 .   ? 23.040  22.628  -24.110 1.00 1.44  1   V  1 
HETATM 2579 C C15   . LIG_V  V  22 .   ? 23.252  23.490  -24.679 1.00 1.41  1   V  1 
HETATM 2580 C C16   . LIG_V  V  22 .   ? 23.131  24.493  -25.054 1.00 1.40  1   V  1 
HETATM 2581 C C17   . LIG_V  V  22 .   ? 22.772  25.402  -25.266 1.00 1.26  1   V  1 
HETATM 2582 C C18   . LIG_V  V  22 .   ? 22.255  26.499  -25.051 1.00 1.26  1   V  1 
HETATM 2583 O O1    . LIG_V  V  22 .   ? 22.913  27.458  -25.082 1.00 1.50  1   V  1 
HETATM 2584 O O2    . LIG_V  V  22 .   ? 21.086  26.455  -24.731 1.00 1.50  1   V  1 
HETATM 2585 C C19   . LIG_V  V  22 .   ? 20.550  27.577  -24.418 1.00 1.25  1   V  1 
HETATM 2586 C C20   . LIG_V  V  22 .   ? 19.169  27.429  -24.121 1.00 1.28  1   V  1 
HETATM 2587 C C21   . LIG_V  V  22 .   ? 18.589  28.754  -23.877 1.00 1.27  1   V  1 
HETATM 2588 O O3    . LIG_V  V  22 .   ? 18.933  29.608  -24.778 1.00 1.28  1   V  1 
HETATM 2589 P P1    . LIG_V  V  22 .   ? 18.104  30.864  -25.046 1.00 1.31  1   V  1 
HETATM 2590 O O4    . LIG_V  V  22 .   ? 18.941  31.987  -24.855 1.00 1.22  1   V  1 
HETATM 2591 O O5    . LIG_V  V  22 .   ? 17.369  30.693  -26.217 1.00 1.22  1   V  1 
HETATM 2592 O O6    . LIG_V  V  22 .   ? 17.116  30.764  -23.881 1.00 1.27  1   V  1 
HETATM 2593 C C22   . LIG_V  V  22 .   ? 16.969  31.615  -22.988 1.00 1.33  1   V  1 
HETATM 2594 C C23   . LIG_V  V  22 .   ? 16.155  31.146  -21.993 1.00 1.29  1   V  1 
HETATM 2595 N N1    . LIG_V  V  22 .   ? 14.875  31.546  -22.048 1.00 2.03  1   V  1 
HETATM 2596 C C24   . LIG_V  V  22 .   ? 14.280  31.161  -23.263 1.00 1.36  1   V  1 
HETATM 2597 C C25   . LIG_V  V  22 .   ? 14.238  30.904  -21.016 1.00 1.41  1   V  1 
HETATM 2598 C C26   . LIG_V  V  22 .   ? 14.808  32.943  -21.907 1.00 1.43  1   V  1 
HETATM 2599 O O7    . LIG_V  V  22 .   ? 19.038  26.709  -22.993 1.00 1.37  1   V  1 
HETATM 2600 C C27   . LIG_V  V  22 .   ? 18.174  25.869  -23.070 1.00 1.45  1   V  1 
HETATM 2601 O O8    . LIG_V  V  22 .   ? 17.514  25.711  -24.045 1.00 1.40  1   V  1 
HETATM 2602 C C28   . LIG_V  V  22 .   ? 18.054  25.156  -22.050 1.00 1.34  1   V  1 
HETATM 2603 C C29   . LIG_V  V  22 .   ? 17.650  24.197  -21.778 1.00 1.43  1   V  1 
HETATM 2604 C C30   . LIG_V  V  22 .   ? 17.459  23.311  -21.208 1.00 1.43  1   V  1 
HETATM 2605 C C31   . LIG_V  V  22 .   ? 17.266  22.386  -20.744 1.00 1.38  1   V  1 
HETATM 2606 C C32   . LIG_V  V  22 .   ? 17.126  21.490  -20.202 1.00 1.53  1   V  1 
HETATM 2607 C C33   . LIG_V  V  22 .   ? 16.934  20.585  -19.702 1.00 1.47  1   V  1 
HETATM 2608 C C34   . LIG_V  V  22 .   ? 16.703  19.687  -19.196 1.00 1.53  1   V  1 
HETATM 2609 C C35   . LIG_V  V  22 .   ? 16.377  18.797  -18.739 1.00 1.49  1   V  1 
HETATM 2610 C C36   . LIG_V  V  22 .   ? 15.975  17.918  -18.361 1.00 1.58  1   V  1 
HETATM 2611 C C37   . LIG_V  V  22 .   ? 15.361  17.082  -18.215 1.00 1.66  1   V  1 
HETATM 2612 C C38   . LIG_V  V  22 .   ? 14.597  16.412  -18.416 1.00 1.52  1   V  1 
HETATM 2613 C C39   . LIG_V  V  22 .   ? 13.846  15.749  -18.724 1.00 1.53  1   V  1 
HETATM 2614 C C40   . LIG_V  V  22 .   ? 13.188  15.237  -19.351 1.00 1.74  1   V  1 
HETATM 2615 C C41   . LIG_V  V  22 .   ? 12.671  14.850  -20.144 1.00 1.51  1   V  1 
HETATM 2616 C C42   . LIG_V  V  22 .   ? 12.215  14.509  -20.963 1.00 1.52  1   V  1 
HETATM 2617 C C43   . LIG_V  V  22 .   ? 11.712  14.188  -21.755 1.00 1.38  1   V  1 
HETATM 2618 C C44   . LIG_V  V  22 .   ? 11.136  13.836  -22.603 1.00 1.44  1   V  1 
HETATM 2619 C C1    . LIG_W  W  23 .   ? -10.886 17.346  6.119   1.00 2.28  1   W  1 
HETATM 2620 C C2    . LIG_W  W  23 .   ? -11.539 17.825  6.773   1.00 2.61  1   W  1 
HETATM 2621 C C3    . LIG_W  W  23 .   ? -12.100 17.842  7.710   1.00 2.40  1   W  1 
HETATM 2622 C C4    . LIG_W  W  23 .   ? -12.480 17.482  8.654   1.00 2.92  1   W  1 
HETATM 2623 C C5    . LIG_W  W  23 .   ? -12.703 16.883  9.535   1.00 2.58  1   W  1 
HETATM 2624 C C6    . LIG_W  W  23 .   ? -12.736 16.103  10.261  1.00 2.39  1   W  1 
HETATM 2625 C C7    . LIG_W  W  23 .   ? -12.625 15.259  10.863  1.00 2.38  1   W  1 
HETATM 2626 C C8    . LIG_W  W  23 .   ? -12.373 14.381  11.387  1.00 2.35  1   W  1 
HETATM 2627 C C9    . LIG_W  W  23 .   ? -12.049 13.514  11.837  1.00 2.89  1   W  1 
HETATM 2628 C C10   . LIG_W  W  23 .   ? -11.639 12.625  12.299  1.00 3.13  1   W  1 
HETATM 2629 C C11   . LIG_W  W  23 .   ? -11.212 11.811  12.769  1.00 3.38  1   W  1 
HETATM 2630 C C12   . LIG_W  W  23 .   ? -10.797 10.961  13.272  1.00 4.02  1   W  1 
HETATM 2631 C C13   . LIG_W  W  23 .   ? -10.497 10.148  13.856  1.00 2.91  1   W  1 
HETATM 2632 C C14   . LIG_W  W  23 .   ? -10.253 9.266   14.410  1.00 3.08  1   W  1 
HETATM 2633 C C15   . LIG_W  W  23 .   ? -10.083 8.437   15.019  1.00 3.56  1   W  1 
HETATM 2634 C C16   . LIG_W  W  23 .   ? -9.948  7.455   15.473  1.00 4.42  1   W  1 
HETATM 2635 C C17   . LIG_W  W  23 .   ? -9.954  6.627   16.047  1.00 3.55  1   W  1 
HETATM 2636 C C18   . LIG_W  W  23 .   ? -9.998  5.405   16.081  1.00 5.03  1   W  1 
HETATM 2637 O O1    . LIG_W  W  23 .   ? -10.658 4.878   16.879  1.00 5.64  1   W  1 
HETATM 2638 O O2    . LIG_W  W  23 .   ? -9.358  4.872   15.195  1.00 4.72  1   W  1 
HETATM 2639 C C19   . LIG_W  W  23 .   ? -9.403  3.605   15.262  1.00 4.23  1   W  1 
HETATM 2640 C C20   . LIG_W  W  23 .   ? -9.555  2.997   14.001  1.00 6.44  1   W  1 
HETATM 2641 C C21   . LIG_W  W  23 .   ? -10.051 1.633   14.236  1.00 5.61  1   W  1 
HETATM 2642 O O3    . LIG_W  W  23 .   ? -9.350  1.075   15.241  1.00 6.37  1   W  1 
HETATM 2643 P P1    . LIG_W  W  23 .   ? -9.651  -0.370  15.695  1.00 9.90  1   W  1 
HETATM 2644 O O4    . LIG_W  W  23 .   ? -11.073 -0.544  15.720  1.00 7.02  1   W  1 
HETATM 2645 O O5    . LIG_W  W  23 .   ? -8.853  -1.243  14.951  1.00 8.14  1   W  1 
HETATM 2646 O O6    . LIG_W  W  23 .   ? -9.131  -0.275  17.118  1.00 6.48  1   W  1 
HETATM 2647 C C22   . LIG_W  W  23 .   ? -7.926  -0.204  17.419  1.00 8.83  1   W  1 
HETATM 2648 C C23   . LIG_W  W  23 .   ? -7.652  0.893   18.207  1.00 8.72  1   W  1 
HETATM 2649 N N1    . LIG_W  W  23 .   ? -6.496  0.803   18.942  1.00 10.85 1   W  1 
HETATM 2650 C C24   . LIG_W  W  23 .   ? -5.418  0.595   18.072  1.00 8.31  1   W  1 
HETATM 2651 C C25   . LIG_W  W  23 .   ? -6.336  2.002   19.613  1.00 7.68  1   W  1 
HETATM 2652 C C26   . LIG_W  W  23 .   ? -6.597  -0.268  19.832  1.00 8.49  1   W  1 
HETATM 2653 O O7    . LIG_W  W  23 .   ? -8.338  2.936   13.381  1.00 4.99  1   W  1 
HETATM 2654 C C27   . LIG_W  W  23 .   ? -8.394  2.531   12.196  1.00 6.37  1   W  1 
HETATM 2655 O O8    . LIG_W  W  23 .   ? -9.336  2.008   11.689  1.00 3.71  1   W  1 
HETATM 2656 C C28   . LIG_W  W  23 .   ? -7.336  2.794   11.502  1.00 4.19  1   W  1 
HETATM 2657 C C29   . LIG_W  W  23 .   ? -7.299  3.609   10.676  1.00 4.32  1   W  1 
HETATM 2658 C C30   . LIG_W  W  23 .   ? -7.824  4.458   10.238  1.00 4.14  1   W  1 
HETATM 2659 C C31   . LIG_W  W  23 .   ? -7.893  5.446   9.757   1.00 4.01  1   W  1 
HETATM 2660 C C32   . LIG_W  W  23 .   ? -8.065  6.443   9.502   1.00 3.73  1   W  1 
HETATM 2661 C C33   . LIG_W  W  23 .   ? -8.095  7.469   9.202   1.00 3.21  1   W  1 
HETATM 2662 C C34   . LIG_W  W  23 .   ? -8.120  8.478   8.917   1.00 2.64  1   W  1 
HETATM 2663 C C35   . LIG_W  W  23 .   ? -8.063  9.475   8.534   1.00 2.52  1   W  1 
HETATM 2664 C C36   . LIG_W  W  23 .   ? -7.948  10.419  8.070   1.00 2.42  1   W  1 
HETATM 2665 C C37   . LIG_W  W  23 .   ? -7.890  11.363  7.553   1.00 2.54  1   W  1 
HETATM 2666 C C38   . LIG_W  W  23 .   ? -7.929  12.297  6.992   1.00 2.10  1   W  1 
HETATM 2667 C C39   . LIG_W  W  23 .   ? -8.074  13.239  6.423   1.00 2.29  1   W  1 
HETATM 2668 C C40   . LIG_W  W  23 .   ? -8.349  14.151  5.882   1.00 2.63  1   W  1 
HETATM 2669 C C41   . LIG_W  W  23 .   ? -8.700  15.051  5.371   1.00 1.99  1   W  1 
HETATM 2670 C C42   . LIG_W  W  23 .   ? -9.073  15.907  4.919   1.00 1.80  1   W  1 
HETATM 2671 C C43   . LIG_W  W  23 .   ? -9.446  16.728  4.412   1.00 1.61  1   W  1 
HETATM 2672 C C44   . LIG_W  W  23 .   ? -9.841  17.582  3.761   1.00 1.59  1   W  1 
HETATM 2673 C C1    . LIG_X  X  24 .   ? -3.328  17.224  1.312   1.00 1.94  1   X  1 
HETATM 2674 C C2    . LIG_X  X  24 .   ? -2.393  16.907  1.205   1.00 2.06  1   X  1 
HETATM 2675 C C3    . LIG_X  X  24 .   ? -1.704  16.045  1.396   1.00 1.83  1   X  1 
HETATM 2676 C C4    . LIG_X  X  24 .   ? -1.304  15.082  1.714   1.00 2.11  1   X  1 
HETATM 2677 C C5    . LIG_X  X  24 .   ? -0.986  14.077  2.072   1.00 1.93  1   X  1 
HETATM 2678 C C6    . LIG_X  X  24 .   ? -0.807  13.062  2.483   1.00 1.75  1   X  1 
HETATM 2679 C C7    . LIG_X  X  24 .   ? -0.681  12.050  2.910   1.00 1.81  1   X  1 
HETATM 2680 C C8    . LIG_X  X  24 .   ? -0.597  11.045  3.357   1.00 1.75  1   X  1 
HETATM 2681 C C9    . LIG_X  X  24 .   ? -0.538  10.054  3.788   1.00 2.04  1   X  1 
HETATM 2682 C C10   . LIG_X  X  24 .   ? -0.502  9.017   4.246   1.00 2.28  1   X  1 
HETATM 2683 C C11   . LIG_X  X  24 .   ? -0.460  8.006   4.709   1.00 2.55  1   X  1 
HETATM 2684 C C12   . LIG_X  X  24 .   ? -0.454  7.006   5.211   1.00 3.34  1   X  1 
HETATM 2685 C C13   . LIG_X  X  24 .   ? -0.427  6.008   5.714   1.00 2.41  1   X  1 
HETATM 2686 C C14   . LIG_X  X  24 .   ? -0.526  5.028   6.237   1.00 2.54  1   X  1 
HETATM 2687 C C15   . LIG_X  X  24 .   ? -0.525  4.072   6.759   1.00 2.67  1   X  1 
HETATM 2688 C C16   . LIG_X  X  24 .   ? -0.819  3.158   7.361   1.00 2.84  1   X  1 
HETATM 2689 C C17   . LIG_X  X  24 .   ? -0.780  2.270   7.949   1.00 2.62  1   X  1 
HETATM 2690 C C18   . LIG_X  X  24 .   ? -1.410  1.435   8.675   1.00 3.20  1   X  1 
HETATM 2691 O O1    . LIG_X  X  24 .   ? -1.261  1.476   9.841   1.00 4.20  1   X  1 
HETATM 2692 O O2    . LIG_X  X  24 .   ? -2.197  0.682   8.093   1.00 4.22  1   X  1 
HETATM 2693 C C19   . LIG_X  X  24 .   ? -2.826  -0.176  8.876   1.00 3.13  1   X  1 
HETATM 2694 C C20   . LIG_X  X  24 .   ? -4.118  -0.619  8.419   1.00 5.99  1   X  1 
HETATM 2695 C C21   . LIG_X  X  24 .   ? -4.176  -2.108  8.342   1.00 4.99  1   X  1 
HETATM 2696 O O3    . LIG_X  X  24 .   ? -3.180  -2.555  7.585   1.00 6.48  1   X  1 
HETATM 2697 P P1    . LIG_X  X  24 .   ? -2.819  -4.052  7.546   1.00 7.11  1   X  1 
HETATM 2698 O O4    . LIG_X  X  24 .   ? -3.014  -4.502  6.204   1.00 5.35  1   X  1 
HETATM 2699 O O5    . LIG_X  X  24 .   ? -3.344  -4.745  8.630   1.00 7.15  1   X  1 
HETATM 2700 O O6    . LIG_X  X  24 .   ? -1.304  -3.861  7.675   1.00 5.70  1   X  1 
HETATM 2701 C C22   . LIG_X  X  24 .   ? -0.577  -4.247  8.556   1.00 5.79  1   X  1 
HETATM 2702 C C23   . LIG_X  X  24 .   ? 0.716   -3.833  8.288   1.00 5.75  1   X  1 
HETATM 2703 N N1    . LIG_X  X  24 .   ? 1.331   -2.959  9.119   1.00 8.54  1   X  1 
HETATM 2704 C C24   . LIG_X  X  24 .   ? 0.516   -1.836  9.398   1.00 6.21  1   X  1 
HETATM 2705 C C25   . LIG_X  X  24 .   ? 1.632   -3.615  10.329  1.00 6.57  1   X  1 
HETATM 2706 C C26   . LIG_X  X  24 .   ? 2.494   -2.532  8.478   1.00 6.21  1   X  1 
HETATM 2707 O O7    . LIG_X  X  24 .   ? -4.417  -0.111  7.185   1.00 5.04  1   X  1 
HETATM 2708 C C27   . LIG_X  X  24 .   ? -5.354  0.745   7.256   1.00 5.25  1   X  1 
HETATM 2709 O O8    . LIG_X  X  24 .   ? -6.062  0.842   8.224   1.00 3.60  1   X  1 
HETATM 2710 C C28   . LIG_X  X  24 .   ? -5.439  1.547   6.251   1.00 3.39  1   X  1 
HETATM 2711 C C29   . LIG_X  X  24 .   ? -5.565  2.666   6.104   1.00 3.82  1   X  1 
HETATM 2712 C C30   . LIG_X  X  24 .   ? -5.586  3.692   5.684   1.00 3.40  1   X  1 
HETATM 2713 C C31   . LIG_X  X  24 .   ? -5.585  4.772   5.420   1.00 3.19  1   X  1 
HETATM 2714 C C32   . LIG_X  X  24 .   ? -5.572  5.826   5.087   1.00 3.42  1   X  1 
HETATM 2715 C C33   . LIG_X  X  24 .   ? -5.552  6.904   4.775   1.00 2.81  1   X  1 
HETATM 2716 C C34   . LIG_X  X  24 .   ? -5.527  7.984   4.433   1.00 2.44  1   X  1 
HETATM 2717 C C35   . LIG_X  X  24 .   ? -5.511  9.062   4.098   1.00 2.25  1   X  1 
HETATM 2718 C C36   . LIG_X  X  24 .   ? -5.501  10.145  3.744   1.00 2.24  1   X  1 
HETATM 2719 C C37   . LIG_X  X  24 .   ? -5.511  11.236  3.395   1.00 2.22  1   X  1 
HETATM 2720 C C38   . LIG_X  X  24 .   ? -5.527  12.331  3.058   1.00 1.79  1   X  1 
HETATM 2721 C C39   . LIG_X  X  24 .   ? -5.546  13.437  2.729   1.00 1.76  1   X  1 
HETATM 2722 C C40   . LIG_X  X  24 .   ? -5.557  14.522  2.398   1.00 2.04  1   X  1 
HETATM 2723 C C41   . LIG_X  X  24 .   ? -5.564  15.601  2.067   1.00 1.60  1   X  1 
HETATM 2724 C C42   . LIG_X  X  24 .   ? -5.582  16.625  1.758   1.00 1.55  1   X  1 
HETATM 2725 C C43   . LIG_X  X  24 .   ? -5.680  17.645  1.449   1.00 1.44  1   X  1 
HETATM 2726 C C44   . LIG_X  X  24 .   ? -5.841  18.714  1.130   1.00 1.45  1   X  1 
HETATM 2727 C C1    . LIG_Y  Y  25 .   ? -3.018  9.955   -28.923 1.00 1.70  1   Y  1 
HETATM 2728 C C2    . LIG_Y  Y  25 .   ? -2.328  9.371   -29.231 1.00 2.07  1   Y  1 
HETATM 2729 C C3    . LIG_Y  Y  25 .   ? -2.110  8.305   -29.083 1.00 1.92  1   Y  1 
HETATM 2730 C C4    . LIG_Y  Y  25 .   ? -2.326  7.290   -28.796 1.00 2.10  1   Y  1 
HETATM 2731 C C5    . LIG_Y  Y  25 .   ? -2.637  6.299   -28.469 1.00 1.89  1   Y  1 
HETATM 2732 C C6    . LIG_Y  Y  25 .   ? -3.063  5.359   -28.095 1.00 1.73  1   Y  1 
HETATM 2733 C C7    . LIG_Y  Y  25 .   ? -3.462  4.432   -27.750 1.00 1.66  1   Y  1 
HETATM 2734 C C8    . LIG_Y  Y  25 .   ? -3.870  3.482   -27.408 1.00 1.65  1   Y  1 
HETATM 2735 C C9    . LIG_Y  Y  25 .   ? -4.214  2.523   -27.080 1.00 1.75  1   Y  1 
HETATM 2736 C C10   . LIG_Y  Y  25 .   ? -4.540  1.511   -26.714 1.00 1.71  1   Y  1 
HETATM 2737 C C11   . LIG_Y  Y  25 .   ? -4.823  0.514   -26.366 1.00 1.66  1   Y  1 
HETATM 2738 C C12   . LIG_Y  Y  25 .   ? -5.095  -0.498  -25.970 1.00 1.65  1   Y  1 
HETATM 2739 C C13   . LIG_Y  Y  25 .   ? -5.320  -1.522  -25.630 1.00 1.47  1   Y  1 
HETATM 2740 C C14   . LIG_Y  Y  25 .   ? -5.577  -2.537  -25.195 1.00 1.45  1   Y  1 
HETATM 2741 C C15   . LIG_Y  Y  25 .   ? -5.776  -3.567  -24.898 1.00 1.41  1   Y  1 
HETATM 2742 C C16   . LIG_Y  Y  25 .   ? -6.039  -4.568  -24.372 1.00 1.38  1   Y  1 
HETATM 2743 C C17   . LIG_Y  Y  25 .   ? -6.210  -5.651  -24.255 1.00 1.27  1   Y  1 
HETATM 2744 C C18   . LIG_Y  Y  25 .   ? -6.540  -6.588  -23.445 1.00 1.34  1   Y  1 
HETATM 2745 O O1    . LIG_Y  Y  25 .   ? -6.864  -7.647  -23.825 1.00 1.75  1   Y  1 
HETATM 2746 O O2    . LIG_Y  Y  25 .   ? -6.488  -6.252  -22.267 1.00 1.67  1   Y  1 
HETATM 2747 C C19   . LIG_Y  Y  25 .   ? -6.879  -7.129  -21.364 1.00 1.38  1   Y  1 
HETATM 2748 C C20   . LIG_Y  Y  25 .   ? -6.539  -6.722  -20.021 1.00 1.48  1   Y  1 
HETATM 2749 C C21   . LIG_Y  Y  25 .   ? -7.141  -7.626  -19.033 1.00 1.49  1   Y  1 
HETATM 2750 O O3    . LIG_Y  Y  25 .   ? -6.877  -8.875  -19.387 1.00 1.38  1   Y  1 
HETATM 2751 P P1    . LIG_Y  Y  25 .   ? -6.925  -10.041 -18.419 1.00 1.45  1   Y  1 
HETATM 2752 O O4    . LIG_Y  Y  25 .   ? -6.412  -11.162 -19.134 1.00 1.25  1   Y  1 
HETATM 2753 O O5    . LIG_Y  Y  25 .   ? -6.458  -9.695  -17.158 1.00 1.36  1   Y  1 
HETATM 2754 O O6    . LIG_Y  Y  25 .   ? -8.469  -10.217 -18.298 1.00 1.38  1   Y  1 
HETATM 2755 C C22   . LIG_Y  Y  25 .   ? -8.979  -11.188 -17.697 1.00 1.50  1   Y  1 
HETATM 2756 C C23   . LIG_Y  Y  25 .   ? -10.332 -11.199 -17.907 1.00 1.43  1   Y  1 
HETATM 2757 N N1    . LIG_Y  Y  25 .   ? -10.855 -12.199 -18.688 1.00 2.18  1   Y  1 
HETATM 2758 C C24   . LIG_Y  Y  25 .   ? -10.837 -13.412 -17.957 1.00 1.49  1   Y  1 
HETATM 2759 C C25   . LIG_Y  Y  25 .   ? -10.089 -12.345 -19.876 1.00 1.51  1   Y  1 
HETATM 2760 C C26   . LIG_Y  Y  25 .   ? -12.174 -11.844 -18.987 1.00 1.49  1   Y  1 
HETATM 2761 O O7    . LIG_Y  Y  25 .   ? -7.021  -5.457  -19.783 1.00 1.60  1   Y  1 
HETATM 2762 C C27   . LIG_Y  Y  25 .   ? -6.137  -4.601  -19.561 1.00 1.61  1   Y  1 
HETATM 2763 O O8    . LIG_Y  Y  25 .   ? -4.995  -4.914  -19.369 1.00 1.67  1   Y  1 
HETATM 2764 C C28   . LIG_Y  Y  25 .   ? -6.523  -3.362  -19.609 1.00 1.56  1   Y  1 
HETATM 2765 C C29   . LIG_Y  Y  25 .   ? -6.161  -2.386  -20.024 1.00 1.60  1   Y  1 
HETATM 2766 C C30   . LIG_Y  Y  25 .   ? -6.125  -1.328  -20.401 1.00 1.65  1   Y  1 
HETATM 2767 C C31   . LIG_Y  Y  25 .   ? -5.947  -0.345  -20.907 1.00 1.57  1   Y  1 
HETATM 2768 C C32   . LIG_Y  Y  25 .   ? -5.850  0.648   -21.402 1.00 1.73  1   Y  1 
HETATM 2769 C C33   . LIG_Y  Y  25 .   ? -5.724  1.610   -21.947 1.00 1.69  1   Y  1 
HETATM 2770 C C34   . LIG_Y  Y  25 .   ? -5.627  2.588   -22.488 1.00 1.68  1   Y  1 
HETATM 2771 C C35   . LIG_Y  Y  25 .   ? -5.514  3.560   -23.025 1.00 1.60  1   Y  1 
HETATM 2772 C C36   . LIG_Y  Y  25 .   ? -5.402  4.551   -23.551 1.00 1.64  1   Y  1 
HETATM 2773 C C37   . LIG_Y  Y  25 .   ? -5.295  5.548   -24.088 1.00 1.71  1   Y  1 
HETATM 2774 C C38   . LIG_Y  Y  25 .   ? -5.186  6.519   -24.646 1.00 1.54  1   Y  1 
HETATM 2775 C C39   . LIG_Y  Y  25 .   ? -5.059  7.487   -25.263 1.00 1.62  1   Y  1 
HETATM 2776 C C40   . LIG_Y  Y  25 .   ? -4.904  8.396   -25.905 1.00 1.78  1   Y  1 
HETATM 2777 C C41   . LIG_Y  Y  25 .   ? -4.724  9.295   -26.585 1.00 1.55  1   Y  1 
HETATM 2778 C C42   . LIG_Y  Y  25 .   ? -4.543  10.132  -27.228 1.00 1.52  1   Y  1 
HETATM 2779 C C43   . LIG_Y  Y  25 .   ? -4.445  11.030  -27.829 1.00 1.38  1   Y  1 
HETATM 2780 C C44   . LIG_Y  Y  25 .   ? -4.392  12.030  -28.417 1.00 1.42  1   Y  1 
HETATM 2781 C C1    . LIG_Z  Z  26 .   ? -3.203  14.983  -11.836 1.00 1.87  1   Z  1 
HETATM 2782 C C2    . LIG_Z  Z  26 .   ? -3.042  14.635  -11.001 1.00 2.00  1   Z  1 
HETATM 2783 C C3    . LIG_Z  Z  26 .   ? -2.728  13.757  -10.470 1.00 1.97  1   Z  1 
HETATM 2784 C C4    . LIG_Z  Z  26 .   ? -2.385  12.877  -10.104 1.00 2.12  1   Z  1 
HETATM 2785 C C5    . LIG_Z  Z  26 .   ? -1.995  11.947  -9.789  1.00 2.00  1   Z  1 
HETATM 2786 C C6    . LIG_Z  Z  26 .   ? -1.656  10.998  -9.537  1.00 1.88  1   Z  1 
HETATM 2787 C C7    . LIG_Z  Z  26 .   ? -1.406  10.007  -9.340  1.00 1.81  1   Z  1 
HETATM 2788 C C8    . LIG_Z  Z  26 .   ? -1.520  8.983   -9.145  1.00 1.82  1   Z  1 
HETATM 2789 C C9    . LIG_Z  Z  26 .   ? -1.922  8.033   -8.931  1.00 1.97  1   Z  1 
HETATM 2790 C C10   . LIG_Z  Z  26 .   ? -2.401  7.077   -8.666  1.00 2.05  1   Z  1 
HETATM 2791 C C11   . LIG_Z  Z  26 .   ? -2.903  6.150   -8.395  1.00 2.06  1   Z  1 
HETATM 2792 C C12   . LIG_Z  Z  26 .   ? -3.377  5.206   -8.120  1.00 2.17  1   Z  1 
HETATM 2793 C C13   . LIG_Z  Z  26 .   ? -3.837  4.269   -7.793  1.00 1.79  1   Z  1 
HETATM 2794 C C14   . LIG_Z  Z  26 .   ? -4.250  3.302   -7.487  1.00 1.90  1   Z  1 
HETATM 2795 C C15   . LIG_Z  Z  26 .   ? -4.659  2.381   -7.092  1.00 2.02  1   Z  1 
HETATM 2796 C C16   . LIG_Z  Z  26 .   ? -4.986  1.364   -6.797  1.00 2.02  1   Z  1 
HETATM 2797 C C17   . LIG_Z  Z  26 .   ? -5.296  0.437   -6.341  1.00 1.78  1   Z  1 
HETATM 2798 C C18   . LIG_Z  Z  26 .   ? -5.286  -0.834  -6.485  1.00 2.11  1   Z  1 
HETATM 2799 O O1    . LIG_Z  Z  26 .   ? -4.484  -1.495  -5.961  1.00 2.69  1   Z  1 
HETATM 2800 O O2    . LIG_Z  Z  26 .   ? -6.135  -1.228  -7.267  1.00 2.36  1   Z  1 
HETATM 2801 C C19   . LIG_Z  Z  26 .   ? -6.022  -2.469  -7.682  1.00 1.88  1   Z  1 
HETATM 2802 C C20   . LIG_Z  Z  26 .   ? -6.823  -2.683  -8.881  1.00 2.13  1   Z  1 
HETATM 2803 C C21   . LIG_Z  Z  26 .   ? -6.622  -4.058  -9.347  1.00 2.08  1   Z  1 
HETATM 2804 O O3    . LIG_Z  Z  26 .   ? -7.239  -4.853  -8.467  1.00 2.00  1   Z  1 
HETATM 2805 P P1    . LIG_Z  Z  26 .   ? -7.240  -6.359  -8.625  1.00 1.98  1   Z  1 
HETATM 2806 O O4    . LIG_Z  Z  26 .   ? -8.076  -6.864  -7.589  1.00 1.69  1   Z  1 
HETATM 2807 O O5    . LIG_Z  Z  26 .   ? -5.931  -6.822  -8.745  1.00 1.69  1   Z  1 
HETATM 2808 O O6    . LIG_Z  Z  26 .   ? -7.946  -6.464  -9.967  1.00 1.70  1   Z  1 
HETATM 2809 C C22   . LIG_Z  Z  26 .   ? -9.152  -6.768  -10.114 1.00 2.19  1   Z  1 
HETATM 2810 C C23   . LIG_Z  Z  26 .   ? -9.752  -6.042  -11.101 1.00 1.89  1   Z  1 
HETATM 2811 N N1    . LIG_Z  Z  26 .   ? -10.999 -6.427  -11.513 1.00 3.04  1   Z  1 
HETATM 2812 C C24   . LIG_Z  Z  26 .   ? -11.547 -5.349  -12.204 1.00 2.06  1   Z  1 
HETATM 2813 C C25   . LIG_Z  Z  26 .   ? -10.880 -7.542  -12.353 1.00 2.06  1   Z  1 
HETATM 2814 C C26   . LIG_Z  Z  26 .   ? -11.801 -6.747  -10.406 1.00 2.15  1   Z  1 
HETATM 2815 O O7    . LIG_Z  Z  26 .   ? -6.425  -1.800  -9.849  1.00 2.00  1   Z  1 
HETATM 2816 C C27   . LIG_Z  Z  26 .   ? -7.263  -0.893  -10.072 1.00 2.12  1   Z  1 
HETATM 2817 O O8    . LIG_Z  Z  26 .   ? -8.383  -0.942  -9.656  1.00 1.84  1   Z  1 
HETATM 2818 C C28   . LIG_Z  Z  26 .   ? -6.791  0.114   -10.728 1.00 1.78  1   Z  1 
HETATM 2819 C C29   . LIG_Z  Z  26 .   ? -6.997  1.224   -10.794 1.00 1.89  1   Z  1 
HETATM 2820 C C30   . LIG_Z  Z  26 .   ? -6.843  2.292   -11.079 1.00 1.88  1   Z  1 
HETATM 2821 C C31   . LIG_Z  Z  26 .   ? -6.781  3.364   -11.278 1.00 1.72  1   Z  1 
HETATM 2822 C C32   . LIG_Z  Z  26 .   ? -6.587  4.407   -11.559 1.00 1.84  1   Z  1 
HETATM 2823 C C33   . LIG_Z  Z  26 .   ? -6.402  5.451   -11.838 1.00 1.83  1   Z  1 
HETATM 2824 C C34   . LIG_Z  Z  26 .   ? -6.170  6.489   -12.139 1.00 1.82  1   Z  1 
HETATM 2825 C C35   . LIG_Z  Z  26 .   ? -5.918  7.514   -12.435 1.00 1.74  1   Z  1 
HETATM 2826 C C36   . LIG_Z  Z  26 .   ? -5.616  8.524   -12.740 1.00 1.82  1   Z  1 
HETATM 2827 C C37   . LIG_Z  Z  26 .   ? -5.319  9.541   -13.038 1.00 1.85  1   Z  1 
HETATM 2828 C C38   . LIG_Z  Z  26 .   ? -5.025  10.561  -13.301 1.00 1.68  1   Z  1 
HETATM 2829 C C39   . LIG_Z  Z  26 .   ? -4.736  11.607  -13.515 1.00 1.76  1   Z  1 
HETATM 2830 C C40   . LIG_Z  Z  26 .   ? -4.493  12.664  -13.642 1.00 1.86  1   Z  1 
HETATM 2831 C C41   . LIG_Z  Z  26 .   ? -4.268  13.745  -13.706 1.00 1.52  1   Z  1 
HETATM 2832 C C42   . LIG_Z  Z  26 .   ? -4.063  14.779  -13.740 1.00 1.48  1   Z  1 
HETATM 2833 C C43   . LIG_Z  Z  26 .   ? -3.887  15.829  -13.817 1.00 1.40  1   Z  1 
HETATM 2834 C C44   . LIG_Z  Z  26 .   ? -3.734  16.943  -13.945 1.00 1.44  1   Z  1 
HETATM 2835 C C1    . LIG_AA AA 27 .   ? -9.112  14.264  -12.907 1.00 1.96  1   AA 1 
HETATM 2836 C C2    . LIG_AA AA 27 .   ? -8.308  14.101  -12.402 1.00 2.11  1   AA 1 
HETATM 2837 C C3    . LIG_AA AA 27 .   ? -7.780  13.482  -11.684 1.00 1.96  1   AA 1 
HETATM 2838 C C4    . LIG_AA AA 27 .   ? -7.550  12.729  -10.979 1.00 2.09  1   AA 1 
HETATM 2839 C C5    . LIG_AA AA 27 .   ? -7.406  11.907  -10.304 1.00 1.95  1   AA 1 
HETATM 2840 C C6    . LIG_AA AA 27 .   ? -7.374  11.017  -9.693  1.00 1.78  1   AA 1 
HETATM 2841 C C7    . LIG_AA AA 27 .   ? -7.418  10.099  -9.146  1.00 1.77  1   AA 1 
HETATM 2842 C C8    . LIG_AA AA 27 .   ? -7.545  9.150   -8.663  1.00 1.76  1   AA 1 
HETATM 2843 C C9    . LIG_AA AA 27 .   ? -7.700  8.215   -8.206  1.00 1.99  1   AA 1 
HETATM 2844 C C10   . LIG_AA AA 27 .   ? -7.907  7.219   -7.783  1.00 2.06  1   AA 1 
HETATM 2845 C C11   . LIG_AA AA 27 .   ? -8.165  6.242   -7.409  1.00 2.03  1   AA 1 
HETATM 2846 C C12   . LIG_AA AA 27 .   ? -8.455  5.228   -7.094  1.00 2.15  1   AA 1 
HETATM 2847 C C13   . LIG_AA AA 27 .   ? -8.730  4.226   -6.786  1.00 1.79  1   AA 1 
HETATM 2848 C C14   . LIG_AA AA 27 .   ? -9.026  3.187   -6.544  1.00 1.91  1   AA 1 
HETATM 2849 C C15   . LIG_AA AA 27 .   ? -9.262  2.199   -6.251  1.00 1.95  1   AA 1 
HETATM 2850 C C16   . LIG_AA AA 27 .   ? -9.483  1.095   -6.085  1.00 2.09  1   AA 1 
HETATM 2851 C C17   . LIG_AA AA 27 .   ? -9.589  0.146   -5.718  1.00 1.88  1   AA 1 
HETATM 2852 C C18   . LIG_AA AA 27 .   ? -9.776  -1.101  -5.771  1.00 2.21  1   AA 1 
HETATM 2853 O O1    . LIG_AA AA 27 .   ? -9.203  -1.824  -5.057  1.00 3.26  1   AA 1 
HETATM 2854 O O2    . LIG_AA AA 27 .   ? -10.557 -1.425  -6.644  1.00 2.84  1   AA 1 
HETATM 2855 C C19   . LIG_AA AA 27 .   ? -10.695 -2.697  -6.828  1.00 2.11  1   AA 1 
HETATM 2856 C C20   . LIG_AA AA 27 .   ? -11.757 -3.034  -7.762  1.00 2.43  1   AA 1 
HETATM 2857 C C21   . LIG_AA AA 27 .   ? -11.935 -4.500  -7.684  1.00 2.26  1   AA 1 
HETATM 2858 O O3    . LIG_AA AA 27 .   ? -11.975 -4.833  -6.383  1.00 2.60  1   AA 1 
HETATM 2859 P P1    . LIG_AA AA 27 .   ? -11.724 -6.255  -5.847  1.00 2.86  1   AA 1 
HETATM 2860 O O4    . LIG_AA AA 27 .   ? -11.279 -6.114  -4.479  1.00 2.80  1   AA 1 
HETATM 2861 O O5    . LIG_AA AA 27 .   ? -10.959 -6.998  -6.740  1.00 2.25  1   AA 1 
HETATM 2862 O O6    . LIG_AA AA 27 .   ? -13.177 -6.786  -5.720  1.00 2.62  1   AA 1 
HETATM 2863 C C22   . LIG_AA AA 27 .   ? -13.943 -6.892  -6.661  1.00 2.94  1   AA 1 
HETATM 2864 C C23   . LIG_AA AA 27 .   ? -14.771 -7.976  -6.585  1.00 3.14  1   AA 1 
HETATM 2865 N N1    . LIG_AA AA 27 .   ? -14.458 -9.105  -7.309  1.00 4.87  1   AA 1 
HETATM 2866 C C24   . LIG_AA AA 27 .   ? -14.016 -8.738  -8.593  1.00 3.51  1   AA 1 
HETATM 2867 C C25   . LIG_AA AA 27 .   ? -15.602 -9.900  -7.384  1.00 3.69  1   AA 1 
HETATM 2868 C C26   . LIG_AA AA 27 .   ? -13.425 -9.821  -6.638  1.00 3.89  1   AA 1 
HETATM 2869 O O7    . LIG_AA AA 27 .   ? -11.363 -2.681  -9.038  1.00 2.21  1   AA 1 
HETATM 2870 C C27   . LIG_AA AA 27 .   ? -11.925 -1.656  -9.514  1.00 2.10  1   AA 1 
HETATM 2871 O O8    . LIG_AA AA 27 .   ? -12.807 -1.102  -8.928  1.00 2.00  1   AA 1 
HETATM 2872 C C28   . LIG_AA AA 27 .   ? -11.478 -1.174  -10.633 1.00 1.79  1   AA 1 
HETATM 2873 C C29   . LIG_AA AA 27 .   ? -11.459 -0.076  -11.054 1.00 1.82  1   AA 1 
HETATM 2874 C C30   . LIG_AA AA 27 .   ? -11.271 0.850   -11.645 1.00 1.80  1   AA 1 
HETATM 2875 C C31   . LIG_AA AA 27 .   ? -11.136 1.895   -12.060 1.00 1.68  1   AA 1 
HETATM 2876 C C32   . LIG_AA AA 27 .   ? -10.956 2.901   -12.485 1.00 1.80  1   AA 1 
HETATM 2877 C C33   . LIG_AA AA 27 .   ? -10.792 3.950   -12.828 1.00 1.77  1   AA 1 
HETATM 2878 C C34   . LIG_AA AA 27 .   ? -10.628 5.009   -13.094 1.00 1.76  1   AA 1 
HETATM 2879 C C35   . LIG_AA AA 27 .   ? -10.500 6.096   -13.242 1.00 1.71  1   AA 1 
HETATM 2880 C C36   . LIG_AA AA 27 .   ? -10.418 7.186   -13.296 1.00 1.79  1   AA 1 
HETATM 2881 C C37   . LIG_AA AA 27 .   ? -10.388 8.293   -13.330 1.00 1.88  1   AA 1 
HETATM 2882 C C38   . LIG_AA AA 27 .   ? -10.399 9.383   -13.371 1.00 1.61  1   AA 1 
HETATM 2883 C C39   . LIG_AA AA 27 .   ? -10.446 10.490  -13.488 1.00 1.74  1   AA 1 
HETATM 2884 C C40   . LIG_AA AA 27 .   ? -10.500 11.565  -13.659 1.00 1.87  1   AA 1 
HETATM 2885 C C41   . LIG_AA AA 27 .   ? -10.567 12.652  -13.872 1.00 1.61  1   AA 1 
HETATM 2886 C C42   . LIG_AA AA 27 .   ? -10.667 13.665  -14.130 1.00 1.54  1   AA 1 
HETATM 2887 C C43   . LIG_AA AA 27 .   ? -10.835 14.669  -14.447 1.00 1.44  1   AA 1 
HETATM 2888 C C44   . LIG_AA AA 27 .   ? -11.080 15.696  -14.814 1.00 1.48  1   AA 1 
HETATM 2889 C C1    . LIG_BA BA 28 .   ? 22.019  9.683   -23.111 1.00 1.59  1   BA 1 
HETATM 2890 C C2    . LIG_BA BA 28 .   ? 22.234  8.977   -23.407 1.00 1.99  1   BA 1 
HETATM 2891 C C3    . LIG_BA BA 28 .   ? 22.219  7.921   -23.294 1.00 1.94  1   BA 1 
HETATM 2892 C C4    . LIG_BA BA 28 .   ? 22.112  6.913   -23.012 1.00 2.08  1   BA 1 
HETATM 2893 C C5    . LIG_BA BA 28 .   ? 21.968  5.902   -22.649 1.00 1.92  1   BA 1 
HETATM 2894 C C6    . LIG_BA BA 28 .   ? 21.772  4.957   -22.165 1.00 1.72  1   BA 1 
HETATM 2895 C C7    . LIG_BA BA 28 .   ? 21.585  4.046   -21.640 1.00 1.61  1   BA 1 
HETATM 2896 C C8    . LIG_BA BA 28 .   ? 21.439  3.149   -21.069 1.00 1.58  1   BA 1 
HETATM 2897 C C9    . LIG_BA BA 28 .   ? 21.294  2.248   -20.528 1.00 1.65  1   BA 1 
HETATM 2898 C C10   . LIG_BA BA 28 .   ? 21.146  1.275   -19.990 1.00 1.67  1   BA 1 
HETATM 2899 C C11   . LIG_BA BA 28 .   ? 21.006  0.300   -19.517 1.00 1.59  1   BA 1 
HETATM 2900 C C12   . LIG_BA BA 28 .   ? 20.847  -0.720  -19.082 1.00 1.61  1   BA 1 
HETATM 2901 C C13   . LIG_BA BA 28 .   ? 20.685  -1.737  -18.705 1.00 1.37  1   BA 1 
HETATM 2902 C C14   . LIG_BA BA 28 .   ? 20.549  -2.802  -18.382 1.00 1.34  1   BA 1 
HETATM 2903 C C15   . LIG_BA BA 28 .   ? 20.406  -3.822  -18.115 1.00 1.37  1   BA 1 
HETATM 2904 C C16   . LIG_BA BA 28 .   ? 20.317  -4.937  -17.894 1.00 1.34  1   BA 1 
HETATM 2905 C C17   . LIG_BA BA 28 .   ? 20.061  -5.881  -17.638 1.00 1.25  1   BA 1 
HETATM 2906 C C18   . LIG_BA BA 28 .   ? 20.133  -7.139  -17.510 1.00 1.27  1   BA 1 
HETATM 2907 O O1    . LIG_BA BA 28 .   ? 20.976  -7.781  -17.967 1.00 1.66  1   BA 1 
HETATM 2908 O O2    . LIG_BA BA 28 .   ? 19.224  -7.562  -16.867 1.00 1.55  1   BA 1 
HETATM 2909 C C19   . LIG_BA BA 28 .   ? 19.235  -8.842  -16.608 1.00 1.20  1   BA 1 
HETATM 2910 C C20   . LIG_BA BA 28 .   ? 18.528  -9.133  -15.399 1.00 1.24  1   BA 1 
HETATM 2911 C C21   . LIG_BA BA 28 .   ? 18.165  -10.553 -15.350 1.00 1.21  1   BA 1 
HETATM 2912 O O3    . LIG_BA BA 28 .   ? 19.292  -11.223 -15.196 1.00 1.21  1   BA 1 
HETATM 2913 P P1    . LIG_BA BA 28 .   ? 19.298  -12.676 -14.781 1.00 1.20  1   BA 1 
HETATM 2914 O O4    . LIG_BA BA 28 .   ? 20.171  -12.770 -13.681 1.00 1.14  1   BA 1 
HETATM 2915 O O5    . LIG_BA BA 28 .   ? 18.012  -13.197 -14.692 1.00 1.16  1   BA 1 
HETATM 2916 O O6    . LIG_BA BA 28 .   ? 19.976  -13.228 -16.057 1.00 1.21  1   BA 1 
HETATM 2917 C C22   . LIG_BA BA 28 .   ? 20.057  -14.445 -16.359 1.00 1.24  1   BA 1 
HETATM 2918 C C23   . LIG_BA BA 28 .   ? 20.501  -14.500 -17.604 1.00 1.23  1   BA 1 
HETATM 2919 N N1    . LIG_BA BA 28 .   ? 20.599  -13.482 -18.188 1.00 2.02  1   BA 1 
HETATM 2920 O O7    . LIG_BA BA 28 .   ? 17.379  -8.390  -15.329 1.00 1.33  1   BA 1 
HETATM 2921 C C24   . LIG_BA BA 28 .   ? 17.416  -7.496  -14.444 1.00 1.29  1   BA 1 
HETATM 2922 O O8    . LIG_BA BA 28 .   ? 18.212  -7.520  -13.551 1.00 1.41  1   BA 1 
HETATM 2923 C C25   . LIG_BA BA 28 .   ? 16.616  -6.479  -14.621 1.00 1.30  1   BA 1 
HETATM 2924 C C26   . LIG_BA BA 28 .   ? 16.779  -5.357  -14.735 1.00 1.44  1   BA 1 
HETATM 2925 C C27   . LIG_BA BA 28 .   ? 16.638  -4.301  -15.014 1.00 1.51  1   BA 1 
HETATM 2926 C C28   . LIG_BA BA 28 .   ? 16.662  -3.236  -15.297 1.00 1.40  1   BA 1 
HETATM 2927 C C29   . LIG_BA BA 28 .   ? 16.621  -2.179  -15.649 1.00 1.51  1   BA 1 
HETATM 2928 C C30   . LIG_BA BA 28 .   ? 16.635  -1.126  -16.009 1.00 1.53  1   BA 1 
HETATM 2929 C C31   . LIG_BA BA 28 .   ? 16.675  -0.092  -16.421 1.00 1.51  1   BA 1 
HETATM 2930 C C32   . LIG_BA BA 28 .   ? 16.801  0.903   -16.862 1.00 1.66  1   BA 1 
HETATM 2931 C C33   . LIG_BA BA 28 .   ? 16.992  1.886   -17.328 1.00 1.59  1   BA 1 
HETATM 2932 C C34   . LIG_BA BA 28 .   ? 17.237  2.863   -17.817 1.00 1.55  1   BA 1 
HETATM 2933 C C35   . LIG_BA BA 28 .   ? 17.537  3.832   -18.300 1.00 1.51  1   BA 1 
HETATM 2934 C C36   . LIG_BA BA 28 .   ? 17.891  4.795   -18.779 1.00 1.64  1   BA 1 
HETATM 2935 C C37   . LIG_BA BA 28 .   ? 18.286  5.761   -19.248 1.00 1.73  1   BA 1 
HETATM 2936 C C38   . LIG_BA BA 28 .   ? 18.720  6.721   -19.715 1.00 1.48  1   BA 1 
HETATM 2937 C C39   . LIG_BA BA 28 .   ? 19.157  7.655   -20.183 1.00 1.55  1   BA 1 
HETATM 2938 C C40   . LIG_BA BA 28 .   ? 19.595  8.544   -20.684 1.00 1.54  1   BA 1 
HETATM 2939 C C41   . LIG_BA BA 28 .   ? 20.037  9.388   -21.177 1.00 1.32  1   BA 1 
HETATM 2940 C C1    . LIG_DA DA 29 .   ? 8.549   7.539   -23.239 1.00 1.31  1   DA 1 
HETATM 2941 C C2    . LIG_DA DA 29 .   ? 8.733   8.617   -23.531 1.00 1.30  1   DA 1 
HETATM 2942 C C3    . LIG_DA DA 29 .   ? 8.917   9.558   -23.939 1.00 1.33  1   DA 1 
HETATM 2943 C C4    . LIG_DA DA 29 .   ? 9.122   10.470  -24.436 1.00 1.33  1   DA 1 
HETATM 2944 C C5    . LIG_DA DA 29 .   ? 9.261   11.325  -25.002 1.00 1.34  1   DA 1 
HETATM 2945 C C6    . LIG_DA DA 29 .   ? 9.332   12.206  -25.498 1.00 1.28  1   DA 1 
HETATM 2946 C C7    . LIG_DA DA 29 .   ? 9.120   13.139  -25.900 1.00 1.32  1   DA 1 
HETATM 2947 C C8    . LIG_DA DA 29 .   ? 8.466   13.957  -26.003 1.00 1.35  1   DA 1 
HETATM 2948 C C9    . LIG_DA DA 29 .   ? 7.996   14.853  -26.270 1.00 1.38  1   DA 1 
HETATM 2949 C C10   . LIG_DA DA 29 .   ? 7.386   15.683  -26.465 1.00 1.41  1   DA 1 
HETATM 2950 C C11   . LIG_DA DA 29 .   ? 6.919   16.604  -26.810 1.00 1.40  1   DA 1 
HETATM 2951 C C12   . LIG_DA DA 29 .   ? 5.913   17.207  -26.838 1.00 1.45  1   DA 1 
HETATM 2952 C C13   . LIG_DA DA 29 .   ? 5.557   18.205  -27.303 1.00 1.38  1   DA 1 
HETATM 2953 C C14   . LIG_DA DA 29 .   ? 6.065   19.130  -27.784 1.00 1.37  1   DA 1 
HETATM 2954 C C15   . LIG_DA DA 29 .   ? 5.879   20.265  -27.914 1.00 1.37  1   DA 1 
HETATM 2955 C C16   . LIG_DA DA 29 .   ? 6.423   21.218  -28.494 1.00 1.37  1   DA 1 
HETATM 2956 C C17   . LIG_DA DA 29 .   ? 6.318   22.358  -28.141 1.00 1.23  1   DA 1 
HETATM 2957 C C18   . LIG_DA DA 29 .   ? 6.750   23.422  -28.760 1.00 1.24  1   DA 1 
HETATM 2958 O O1    . LIG_DA DA 29 .   ? 7.049   23.441  -29.890 1.00 1.41  1   DA 1 
HETATM 2959 O O2    . LIG_DA DA 29 .   ? 6.795   24.358  -28.013 1.00 1.44  1   DA 1 
HETATM 2960 C C19   . LIG_DA DA 29 .   ? 7.091   25.499  -28.574 1.00 1.17  1   DA 1 
HETATM 2961 C C20   . LIG_DA DA 29 .   ? 6.032   26.473  -28.430 1.00 1.18  1   DA 1 
HETATM 2962 C C21   . LIG_DA DA 29 .   ? 6.588   27.817  -28.631 1.00 1.16  1   DA 1 
HETATM 2963 O O3    . LIG_DA DA 29 .   ? 6.536   28.117  -29.941 1.00 1.21  1   DA 1 
HETATM 2964 P P1    . LIG_DA DA 29 .   ? 7.576   29.008  -30.690 1.00 1.31  1   DA 1 
HETATM 2965 O O4    . LIG_DA DA 29 .   ? 8.458   29.520  -29.687 1.00 1.21  1   DA 1 
HETATM 2966 O O5    . LIG_DA DA 29 .   ? 6.795   29.972  -31.347 1.00 1.20  1   DA 1 
HETATM 2967 O O6    . LIG_DA DA 29 .   ? 8.227   28.127  -31.569 1.00 1.29  1   DA 1 
HETATM 2968 O O7    . LIG_DA DA 29 .   ? 5.513   26.383  -27.147 1.00 1.23  1   DA 1 
HETATM 2969 C C22   . LIG_DA DA 29 .   ? 4.258   26.352  -27.081 1.00 1.27  1   DA 1 
HETATM 2970 O O8    . LIG_DA DA 29 .   ? 3.559   26.793  -27.918 1.00 1.25  1   DA 1 
HETATM 2971 C C23   . LIG_DA DA 29 .   ? 3.798   25.693  -25.990 1.00 1.21  1   DA 1 
HETATM 2972 C C24   . LIG_DA DA 29 .   ? 3.030   24.685  -26.270 1.00 1.31  1   DA 1 
HETATM 2973 C C25   . LIG_DA DA 29 .   ? 2.903   23.730  -25.480 1.00 1.33  1   DA 1 
HETATM 2974 C C26   . LIG_DA DA 29 .   ? 1.947   22.999  -25.496 1.00 1.35  1   DA 1 
HETATM 2975 C C27   . LIG_DA DA 29 .   ? 1.805   21.941  -25.024 1.00 1.35  1   DA 1 
HETATM 2976 C C28   . LIG_DA DA 29 .   ? 2.148   20.896  -25.486 1.00 1.28  1   DA 1 
HETATM 2977 C C29   . LIG_DA DA 29 .   ? 1.942   19.822  -25.198 1.00 1.32  1   DA 1 
HETATM 2978 C C30   . LIG_DA DA 29 .   ? 2.027   18.759  -25.504 1.00 1.34  1   DA 1 
HETATM 2979 C C31   . LIG_DA DA 29 .   ? 1.964   17.710  -25.358 1.00 1.35  1   DA 1 
HETATM 2980 C C32   . LIG_DA DA 29 .   ? 1.869   16.695  -25.217 1.00 1.41  1   DA 1 
HETATM 2981 C C33   . LIG_DA DA 29 .   ? 1.818   16.062  -24.275 1.00 1.38  1   DA 1 
HETATM 2982 C C34   . LIG_DA DA 29 .   ? 1.366   16.326  -23.253 1.00 1.43  1   DA 1 
HETATM 2983 C C35   . LIG_DA DA 29 .   ? 1.124   15.975  -22.278 1.00 1.41  1   DA 1 
HETATM 2984 C C36   . LIG_DA DA 29 .   ? 1.035   15.982  -21.219 1.00 1.47  1   DA 1 
HETATM 2985 C C37   . LIG_DA DA 29 .   ? 0.812   15.844  -20.230 1.00 1.44  1   DA 1 
HETATM 2986 C C38   . LIG_DA DA 29 .   ? 0.894   15.714  -19.230 1.00 1.34  1   DA 1 
HETATM 2987 C C39   . LIG_DA DA 29 .   ? 1.285   15.886  -18.204 1.00 1.40  1   DA 1 
HETATM 2988 C C1    . LIG_AB AB 30 .   ? -11.720 12.839  -20.308 1.00 1.89  1   AB 1 
HETATM 2989 C C2    . LIG_AB AB 30 .   ? -11.829 13.229  -19.478 1.00 2.15  1   AB 1 
HETATM 2990 C C3    . LIG_AB AB 30 .   ? -12.143 13.140  -18.454 1.00 1.94  1   AB 1 
HETATM 2991 C C4    . LIG_AB AB 30 .   ? -12.565 12.781  -17.552 1.00 2.11  1   AB 1 
HETATM 2992 C C5    . LIG_AB AB 30 .   ? -13.010 12.252  -16.711 1.00 1.92  1   AB 1 
HETATM 2993 C C6    . LIG_AB AB 30 .   ? -13.451 11.564  -15.974 1.00 1.69  1   AB 1 
HETATM 2994 C C7    . LIG_AB AB 30 .   ? -13.805 10.803  -15.305 1.00 1.78  1   AB 1 
HETATM 2995 C C8    . LIG_AB AB 30 .   ? -14.115 9.943   -14.717 1.00 1.69  1   AB 1 
HETATM 2996 C C9    . LIG_AB AB 30 .   ? -14.405 9.048   -14.201 1.00 1.86  1   AB 1 
HETATM 2997 C C10   . LIG_AB AB 30 .   ? -14.691 8.077   -13.708 1.00 1.86  1   AB 1 
HETATM 2998 C C11   . LIG_AB AB 30 .   ? -14.981 7.101   -13.303 1.00 1.87  1   AB 1 
HETATM 2999 C C12   . LIG_AB AB 30 .   ? -15.274 6.095   -12.929 1.00 1.94  1   AB 1 
HETATM 3000 C C13   . LIG_AB AB 30 .   ? -15.595 5.087   -12.643 1.00 1.57  1   AB 1 
HETATM 3001 C C14   . LIG_AB AB 30 .   ? -15.915 4.058   -12.342 1.00 1.56  1   AB 1 
HETATM 3002 C C15   . LIG_AB AB 30 .   ? -16.201 3.035   -12.154 1.00 1.49  1   AB 1 
HETATM 3003 C C16   . LIG_AB AB 30 .   ? -16.475 1.979   -11.849 1.00 1.44  1   AB 1 
HETATM 3004 C C17   . LIG_AB AB 30 .   ? -16.650 0.945   -11.810 1.00 1.27  1   AB 1 
HETATM 3005 C C18   . LIG_AB AB 30 .   ? -16.827 -0.161  -11.238 1.00 1.46  1   AB 1 
HETATM 3006 O O1    . LIG_AB AB 30 .   ? -17.344 -0.216  -10.186 1.00 2.02  1   AB 1 
HETATM 3007 O O2    . LIG_AB AB 30 .   ? -16.366 -1.089  -11.850 1.00 1.83  1   AB 1 
HETATM 3008 C C19   . LIG_AB AB 30 .   ? -16.300 -2.204  -11.201 1.00 1.42  1   AB 1 
HETATM 3009 C C20   . LIG_AB AB 30 .   ? -15.758 -3.260  -11.980 1.00 1.49  1   AB 1 
HETATM 3010 C C21   . LIG_AB AB 30 .   ? -15.443 -4.383  -11.085 1.00 1.67  1   AB 1 
HETATM 3011 O O3    . LIG_AB AB 30 .   ? -16.404 -5.280  -11.156 1.00 1.53  1   AB 1 
HETATM 3012 P P1    . LIG_AB AB 30 .   ? -16.285 -6.533  -10.295 1.00 1.84  1   AB 1 
HETATM 3013 O O4    . LIG_AB AB 30 .   ? -15.691 -6.145  -9.081  1.00 1.49  1   AB 1 
HETATM 3014 O O5    . LIG_AB AB 30 .   ? -15.766 -7.582  -11.060 1.00 1.46  1   AB 1 
HETATM 3015 O O6    . LIG_AB AB 30 .   ? -17.759 -6.792  -10.104 1.00 1.58  1   AB 1 
HETATM 3016 C C22   . LIG_AB AB 30 .   ? -18.355 -6.530  -9.074  1.00 1.85  1   AB 1 
HETATM 3017 C C23   . LIG_AB AB 30 .   ? -19.642 -6.193  -9.289  1.00 1.75  1   AB 1 
HETATM 3018 N N1    . LIG_AB AB 30 .   ? -20.431 -6.075  -8.194  1.00 3.11  1   AB 1 
HETATM 3019 C C24   . LIG_AB AB 30 .   ? -21.638 -5.513  -8.613  1.00 1.94  1   AB 1 
HETATM 3020 C C25   . LIG_AB AB 30 .   ? -20.644 -7.367  -7.650  1.00 2.28  1   AB 1 
HETATM 3021 C C26   . LIG_AB AB 30 .   ? -19.786 -5.247  -7.248  1.00 2.54  1   AB 1 
HETATM 3022 O O7    . LIG_AB AB 30 .   ? -14.556 -2.883  -12.552 1.00 1.71  1   AB 1 
HETATM 3023 C C27   . LIG_AB AB 30 .   ? -14.387 -3.263  -13.745 1.00 1.65  1   AB 1 
HETATM 3024 O O8    . LIG_AB AB 30 .   ? -15.089 -4.052  -14.284 1.00 1.57  1   AB 1 
HETATM 3025 C C28   . LIG_AB AB 30 .   ? -13.411 -2.653  -14.347 1.00 1.56  1   AB 1 
HETATM 3026 C C29   . LIG_AB AB 30 .   ? -13.206 -1.862  -15.067 1.00 1.66  1   AB 1 
HETATM 3027 C C30   . LIG_AB AB 30 .   ? -12.793 -1.051  -15.701 1.00 1.66  1   AB 1 
HETATM 3028 C C31   . LIG_AB AB 30 .   ? -12.596 -0.166  -16.312 1.00 1.65  1   AB 1 
HETATM 3029 C C32   . LIG_AB AB 30 .   ? -12.365 0.733   -16.883 1.00 1.79  1   AB 1 
HETATM 3030 C C33   . LIG_AB AB 30 .   ? -12.210 1.654   -17.453 1.00 1.70  1   AB 1 
HETATM 3031 C C34   . LIG_AB AB 30 .   ? -12.057 2.605   -18.004 1.00 1.69  1   AB 1 
HETATM 3032 C C35   . LIG_AB AB 30 .   ? -11.923 3.559   -18.528 1.00 1.68  1   AB 1 
HETATM 3033 C C36   . LIG_AB AB 30 .   ? -11.797 4.543   -19.034 1.00 1.71  1   AB 1 
HETATM 3034 C C37   . LIG_AB AB 30 .   ? -11.680 5.537   -19.518 1.00 1.77  1   AB 1 
HETATM 3035 C C38   . LIG_AB AB 30 .   ? -11.579 6.562   -19.983 1.00 1.57  1   AB 1 
HETATM 3036 C C39   . LIG_AB AB 30 .   ? -11.505 7.618   -20.414 1.00 1.65  1   AB 1 
HETATM 3037 C C40   . LIG_AB AB 30 .   ? -11.467 8.676   -20.797 1.00 1.89  1   AB 1 
HETATM 3038 C C41   . LIG_AB AB 30 .   ? -11.454 9.741   -21.167 1.00 1.58  1   AB 1 
HETATM 3039 C C42   . LIG_AB AB 30 .   ? -11.449 10.745  -21.536 1.00 1.58  1   AB 1 
HETATM 3040 C C43   . LIG_AB AB 30 .   ? -11.432 11.726  -21.966 1.00 1.44  1   AB 1 
HETATM 3041 C C44   . LIG_AB AB 30 .   ? -11.424 12.725  -22.572 1.00 1.45  1   AB 1 
HETATM 3042 C C1    . LIG_BB BB 31 .   ? 13.565  9.554   -21.697 1.00 1.52  1   BB 1 
HETATM 3043 C C2    . LIG_BB BB 31 .   ? 12.917  9.207   -22.026 1.00 1.83  1   BB 1 
HETATM 3044 C C3    . LIG_BB BB 31 .   ? 12.288  8.386   -21.853 1.00 1.85  1   BB 1 
HETATM 3045 C C4    . LIG_BB BB 31 .   ? 11.873  7.508   -21.434 1.00 2.01  1   BB 1 
HETATM 3046 C C5    . LIG_BB BB 31 .   ? 11.519  6.604   -20.968 1.00 1.85  1   BB 1 
HETATM 3047 C C6    . LIG_BB BB 31 .   ? 11.319  5.716   -20.385 1.00 1.74  1   BB 1 
HETATM 3048 C C7    . LIG_BB BB 31 .   ? 11.230  4.862   -19.761 1.00 1.69  1   BB 1 
HETATM 3049 C C8    . LIG_BB BB 31 .   ? 11.244  4.009   -19.097 1.00 1.72  1   BB 1 
HETATM 3050 C C9    . LIG_BB BB 31 .   ? 11.318  3.172   -18.454 1.00 1.83  1   BB 1 
HETATM 3051 C C10   . LIG_BB BB 31 .   ? 11.399  2.272   -17.784 1.00 1.78  1   BB 1 
HETATM 3052 C C11   . LIG_BB BB 31 .   ? 11.467  1.376   -17.173 1.00 1.72  1   BB 1 
HETATM 3053 C C12   . LIG_BB BB 31 .   ? 11.524  0.447   -16.549 1.00 1.82  1   BB 1 
HETATM 3054 C C13   . LIG_BB BB 31 .   ? 11.578  -0.499  -16.000 1.00 1.54  1   BB 1 
HETATM 3055 C C14   . LIG_BB BB 31 .   ? 11.613  -1.452  -15.409 1.00 1.52  1   BB 1 
HETATM 3056 C C15   . LIG_BB BB 31 .   ? 11.690  -2.425  -14.961 1.00 1.50  1   BB 1 
HETATM 3057 C C16   . LIG_BB BB 31 .   ? 11.642  -3.402  -14.381 1.00 1.47  1   BB 1 
HETATM 3058 C C17   . LIG_BB BB 31 .   ? 11.816  -4.388  -14.045 1.00 1.33  1   BB 1 
HETATM 3059 C C18   . LIG_BB BB 31 .   ? 11.572  -5.349  -13.222 1.00 1.41  1   BB 1 
HETATM 3060 O O1    . LIG_BB BB 31 .   ? 10.482  -5.657  -12.938 1.00 2.05  1   BB 1 
HETATM 3061 O O2    . LIG_BB BB 31 .   ? 12.577  -5.851  -12.754 1.00 1.72  1   BB 1 
HETATM 3062 C C19   . LIG_BB BB 31 .   ? 12.388  -6.660  -11.739 1.00 1.34  1   BB 1 
HETATM 3063 C C20   . LIG_BB BB 31 .   ? 13.560  -6.668  -10.869 1.00 1.39  1   BB 1 
HETATM 3064 C C21   . LIG_BB BB 31 .   ? 13.336  -7.635  -9.793  1.00 1.34  1   BB 1 
HETATM 3065 O O3    . LIG_BB BB 31 .   ? 14.480  -8.265  -9.608  1.00 1.29  1   BB 1 
HETATM 3066 P P1    . LIG_BB BB 31 .   ? 14.624  -9.583  -8.897  1.00 1.35  1   BB 1 
HETATM 3067 O O4    . LIG_BB BB 31 .   ? 15.957  -10.001 -9.133  1.00 1.16  1   BB 1 
HETATM 3068 O O5    . LIG_BB BB 31 .   ? 13.555  -10.451 -9.160  1.00 1.22  1   BB 1 
HETATM 3069 O O6    . LIG_BB BB 31 .   ? 14.498  -9.048  -7.448  1.00 1.28  1   BB 1 
HETATM 3070 C C22   . LIG_BB BB 31 .   ? 15.399  -9.235  -6.585  1.00 1.28  1   BB 1 
HETATM 3071 C C23   . LIG_BB BB 31 .   ? 15.059  -8.556  -5.534  1.00 1.30  1   BB 1 
HETATM 3072 N N1    . LIG_BB BB 31 .   ? 14.416  -7.649  -5.679  1.00 2.03  1   BB 1 
HETATM 3073 O O7    . LIG_BB BB 31 .   ? 13.751  -5.411  -10.328 1.00 1.51  1   BB 1 
HETATM 3074 C C24   . LIG_BB BB 31 .   ? 14.811  -4.831  -10.664 1.00 1.39  1   BB 1 
HETATM 3075 O O8    . LIG_BB BB 31 .   ? 15.734  -5.409  -11.133 1.00 1.47  1   BB 1 
HETATM 3076 C C25   . LIG_BB BB 31 .   ? 14.771  -3.557  -10.520 1.00 1.37  1   BB 1 
HETATM 3077 C C26   . LIG_BB BB 31 .   ? 15.097  -2.628  -10.975 1.00 1.56  1   BB 1 
HETATM 3078 C C27   . LIG_BB BB 31 .   ? 15.097  -1.539  -11.194 1.00 1.64  1   BB 1 
HETATM 3079 C C28   . LIG_BB BB 31 .   ? 15.077  -0.516  -11.532 1.00 1.52  1   BB 1 
HETATM 3080 C C29   . LIG_BB BB 31 .   ? 14.945  0.549   -11.795 1.00 1.60  1   BB 1 
HETATM 3081 C C30   . LIG_BB BB 31 .   ? 14.766  1.567   -12.116 1.00 1.58  1   BB 1 
HETATM 3082 C C31   . LIG_BB BB 31 .   ? 14.548  2.560   -12.498 1.00 1.57  1   BB 1 
HETATM 3083 C C32   . LIG_BB BB 31 .   ? 14.349  3.485   -12.977 1.00 1.71  1   BB 1 
HETATM 3084 C C33   . LIG_BB BB 31 .   ? 14.201  4.378   -13.539 1.00 1.67  1   BB 1 
HETATM 3085 C C34   . LIG_BB BB 31 .   ? 14.141  5.243   -14.196 1.00 1.62  1   BB 1 
HETATM 3086 C C35   . LIG_BB BB 31 .   ? 14.157  6.054   -14.924 1.00 1.58  1   BB 1 
HETATM 3087 C C36   . LIG_BB BB 31 .   ? 14.235  6.809   -15.715 1.00 1.73  1   BB 1 
HETATM 3088 C C37   . LIG_BB BB 31 .   ? 14.331  7.532   -16.540 1.00 1.79  1   BB 1 
HETATM 3089 C C38   . LIG_BB BB 31 .   ? 14.455  8.236   -17.384 1.00 1.54  1   BB 1 
HETATM 3090 C C39   . LIG_BB BB 31 .   ? 14.584  8.912   -18.237 1.00 1.58  1   BB 1 
HETATM 3091 C C40   . LIG_BB BB 31 .   ? 14.683  9.521   -19.087 1.00 1.51  1   BB 1 
HETATM 3092 C C41   . LIG_BB BB 31 .   ? 14.768  10.060  -19.947 1.00 1.32  1   BB 1 
HETATM 3093 C C1    . LIG_DB DB 32 .   ? 14.468  19.752  -4.828  1.00 1.58  1   DB 1 
HETATM 3094 C C2    . LIG_DB DB 32 .   ? 13.875  18.922  -5.578  1.00 1.48  1   DB 1 
HETATM 3095 C C3    . LIG_DB DB 32 .   ? 14.193  18.660  -6.681  1.00 1.50  1   DB 1 
HETATM 3096 C C4    . LIG_DB DB 32 .   ? 15.192  18.353  -7.190  1.00 1.41  1   DB 1 
HETATM 3097 C C5    . LIG_DB DB 32 .   ? 15.548  18.384  -8.264  1.00 1.42  1   DB 1 
HETATM 3098 C C6    . LIG_DB DB 32 .   ? 15.506  18.895  -9.150  1.00 1.34  1   DB 1 
HETATM 3099 C C7    . LIG_DB DB 32 .   ? 15.434  19.434  -10.004 1.00 1.33  1   DB 1 
HETATM 3100 C C8    . LIG_DB DB 32 .   ? 15.257  20.078  -10.796 1.00 1.38  1   DB 1 
HETATM 3101 C C9    . LIG_DB DB 32 .   ? 14.940  20.658  -11.590 1.00 1.38  1   DB 1 
HETATM 3102 C C10   . LIG_DB DB 32 .   ? 14.404  21.207  -12.330 1.00 1.44  1   DB 1 
HETATM 3103 C C11   . LIG_DB DB 32 .   ? 13.621  21.607  -12.927 1.00 1.37  1   DB 1 
HETATM 3104 C C12   . LIG_DB DB 32 .   ? 13.034  22.114  -13.684 1.00 1.45  1   DB 1 
HETATM 3105 C C13   . LIG_DB DB 32 .   ? 12.062  22.545  -14.210 1.00 1.32  1   DB 1 
HETATM 3106 C C14   . LIG_DB DB 32 .   ? 11.878  23.204  -15.221 1.00 1.37  1   DB 1 
HETATM 3107 C C15   . LIG_DB DB 32 .   ? 10.836  23.736  -15.707 1.00 1.31  1   DB 1 
HETATM 3108 C C16   . LIG_DB DB 32 .   ? 10.856  24.498  -16.757 1.00 1.37  1   DB 1 
HETATM 3109 C C17   . LIG_DB DB 32 .   ? 11.017  25.758  -16.528 1.00 1.24  1   DB 1 
HETATM 3110 C C18   . LIG_DB DB 32 .   ? 12.036  26.439  -17.129 1.00 1.22  1   DB 1 
HETATM 3111 O O1    . LIG_DB DB 32 .   ? 12.568  26.040  -18.085 1.00 1.43  1   DB 1 
HETATM 3112 O O2    . LIG_DB DB 32 .   ? 12.331  27.460  -16.532 1.00 1.40  1   DB 1 
HETATM 3113 C C19   . LIG_DB DB 32 .   ? 13.354  28.134  -17.025 1.00 1.19  1   DB 1 
HETATM 3114 C C20   . LIG_DB DB 32 .   ? 13.934  29.008  -16.014 1.00 1.20  1   DB 1 
HETATM 3115 C C21   . LIG_DB DB 32 .   ? 14.895  29.929  -16.636 1.00 1.16  1   DB 1 
HETATM 3116 O O3    . LIG_DB DB 32 .   ? 14.306  31.096  -16.954 1.00 1.19  1   DB 1 
HETATM 3117 P P1    . LIG_DB DB 32 .   ? 15.164  32.345  -17.344 1.00 1.29  1   DB 1 
HETATM 3118 O O4    . LIG_DB DB 32 .   ? 16.159  31.848  -18.254 1.00 1.20  1   DB 1 
HETATM 3119 O O5    . LIG_DB DB 32 .   ? 15.710  32.797  -16.124 1.00 1.22  1   DB 1 
HETATM 3120 O O6    . LIG_DB DB 32 .   ? 14.223  33.216  -17.954 1.00 1.27  1   DB 1 
HETATM 3121 O O7    . LIG_DB DB 32 .   ? 14.659  28.242  -15.129 1.00 1.27  1   DB 1 
HETATM 3122 C C22   . LIG_DB DB 32 .   ? 14.392  28.400  -13.926 1.00 1.34  1   DB 1 
HETATM 3123 O O8    . LIG_DB DB 32 .   ? 13.487  29.083  -13.569 1.00 1.26  1   DB 1 
HETATM 3124 C C23   . LIG_DB DB 32 .   ? 15.190  27.695  -13.070 1.00 1.25  1   DB 1 
HETATM 3125 C C24   . LIG_DB DB 32 .   ? 14.537  26.768  -12.375 1.00 1.37  1   DB 1 
HETATM 3126 C C25   . LIG_DB DB 32 .   ? 15.146  26.213  -11.383 1.00 1.38  1   DB 1 
HETATM 3127 C C26   . LIG_DB DB 32 .   ? 14.594  25.237  -10.782 1.00 1.38  1   DB 1 
HETATM 3128 C C27   . LIG_DB DB 32 .   ? 14.923  24.810  -9.655  1.00 1.36  1   DB 1 
HETATM 3129 C C28   . LIG_DB DB 32 .   ? 14.474  23.847  -9.053  1.00 1.28  1   DB 1 
HETATM 3130 C C29   . LIG_DB DB 32 .   ? 14.012  23.797  -8.018  1.00 1.30  1   DB 1 
HETATM 3131 C C30   . LIG_DB DB 32 .   ? 13.228  24.072  -7.330  1.00 1.34  1   DB 1 
HETATM 3132 C C31   . LIG_DB DB 32 .   ? 12.513  24.410  -6.614  1.00 1.29  1   DB 1 
HETATM 3133 C C32   . LIG_DB DB 32 .   ? 11.727  24.788  -5.953  1.00 1.34  1   DB 1 
HETATM 3134 C C33   . LIG_DB DB 32 .   ? 11.056  25.212  -5.302  1.00 1.30  1   DB 1 
HETATM 3135 C C34   . LIG_DB DB 32 .   ? 10.353  25.333  -4.465  1.00 1.37  1   DB 1 
HETATM 3136 C C35   . LIG_DB DB 32 .   ? 10.408  25.186  -3.334  1.00 1.36  1   DB 1 
HETATM 3137 C C36   . LIG_DB DB 32 .   ? 9.665   25.072  -2.384  1.00 1.43  1   DB 1 
HETATM 3138 C C37   . LIG_DB DB 32 .   ? 9.902   24.483  -1.296  1.00 1.50  1   DB 1 
HETATM 3139 C C38   . LIG_DB DB 32 .   ? 9.158   24.161  -0.388  1.00 1.37  1   DB 1 
HETATM 3140 C C39   . LIG_DB DB 32 .   ? 9.454   23.435  0.620   1.00 1.35  1   DB 1 
HETATM 3141 C C1    . LIG_AC AC 33 .   ? 8.234   6.082   -35.721 1.00 1.61  1   AC 1 
HETATM 3142 C C2    . LIG_AC AC 33 .   ? 8.269   6.895   -35.082 1.00 2.09  1   AC 1 
HETATM 3143 C C3    . LIG_AC AC 33 .   ? 8.168   6.812   -33.989 1.00 1.95  1   AC 1 
HETATM 3144 C C4    . LIG_AC AC 33 .   ? 8.036   6.189   -33.088 1.00 2.06  1   AC 1 
HETATM 3145 C C5    . LIG_AC AC 33 .   ? 7.922   5.440   -32.261 1.00 1.77  1   AC 1 
HETATM 3146 C C6    . LIG_AC AC 33 .   ? 7.822   4.563   -31.546 1.00 1.61  1   AC 1 
HETATM 3147 C C7    . LIG_AC AC 33 .   ? 7.722   3.653   -30.914 1.00 1.53  1   AC 1 
HETATM 3148 C C8    . LIG_AC AC 33 .   ? 7.604   2.690   -30.338 1.00 1.48  1   AC 1 
HETATM 3149 C C9    . LIG_AC AC 33 .   ? 7.494   1.736   -29.793 1.00 1.52  1   AC 1 
HETATM 3150 C C10   . LIG_AC AC 33 .   ? 7.363   0.722   -29.236 1.00 1.60  1   AC 1 
HETATM 3151 C C11   . LIG_AC AC 33 .   ? 7.243   -0.258  -28.712 1.00 1.54  1   AC 1 
HETATM 3152 C C12   . LIG_AC AC 33 .   ? 7.101   -1.270  -28.183 1.00 1.59  1   AC 1 
HETATM 3153 C C13   . LIG_AC AC 33 .   ? 6.927   -2.278  -27.707 1.00 1.34  1   AC 1 
HETATM 3154 C C14   . LIG_AC AC 33 .   ? 6.754   -3.301  -27.198 1.00 1.35  1   AC 1 
HETATM 3155 C C15   . LIG_AC AC 33 .   ? 6.536   -4.313  -26.803 1.00 1.34  1   AC 1 
HETATM 3156 C C16   . LIG_AC AC 33 .   ? 6.325   -5.330  -26.267 1.00 1.32  1   AC 1 
HETATM 3157 C C17   . LIG_AC AC 33 .   ? 5.998   -6.353  -26.077 1.00 1.23  1   AC 1 
HETATM 3158 C C18   . LIG_AC AC 33 .   ? 5.909   -7.383  -25.274 1.00 1.30  1   AC 1 
HETATM 3159 O O1    . LIG_AC AC 33 .   ? 6.227   -7.299  -24.150 1.00 1.65  1   AC 1 
HETATM 3160 O O2    . LIG_AC AC 33 .   ? 5.468   -8.418  -25.769 1.00 1.53  1   AC 1 
HETATM 3161 C C19   . LIG_AC AC 33 .   ? 5.494   -9.520  -25.043 1.00 1.25  1   AC 1 
HETATM 3162 C C20   . LIG_AC AC 33 .   ? 5.701   -10.709 -25.882 1.00 1.28  1   AC 1 
HETATM 3163 C C21   . LIG_AC AC 33 .   ? 5.945   -11.913 -25.058 1.00 1.24  1   AC 1 
HETATM 3164 O O3    . LIG_AC AC 33 .   ? 4.796   -12.481 -24.772 1.00 1.26  1   AC 1 
HETATM 3165 P P1    . LIG_AC AC 33 .   ? 4.680   -13.945 -24.305 1.00 1.25  1   AC 1 
HETATM 3166 O O4    . LIG_AC AC 33 .   ? 3.767   -13.960 -23.202 1.00 1.17  1   AC 1 
HETATM 3167 O O5    . LIG_AC AC 33 .   ? 5.925   -14.563 -24.175 1.00 1.17  1   AC 1 
HETATM 3168 O O6    . LIG_AC AC 33 .   ? 3.964   -14.558 -25.515 1.00 1.23  1   AC 1 
HETATM 3169 C C22   . LIG_AC AC 33 .   ? 2.970   -14.083 -25.983 1.00 1.30  1   AC 1 
HETATM 3170 C C23   . LIG_AC AC 33 .   ? 2.364   -14.816 -26.950 1.00 1.27  1   AC 1 
HETATM 3171 N N1    . LIG_AC AC 33 .   ? 1.566   -14.160 -27.817 1.00 2.00  1   AC 1 
HETATM 3172 C C24   . LIG_AC AC 33 .   ? 0.745   -15.101 -28.447 1.00 1.36  1   AC 1 
HETATM 3173 C C25   . LIG_AC AC 33 .   ? 0.816   -13.222 -27.119 1.00 1.40  1   AC 1 
HETATM 3174 C C26   . LIG_AC AC 33 .   ? 2.360   -13.465 -28.739 1.00 1.42  1   AC 1 
HETATM 3175 O O7    . LIG_AC AC 33 .   ? 6.833   -10.530 -26.648 1.00 1.39  1   AC 1 
HETATM 3176 C C27   . LIG_AC AC 33 .   ? 6.625   -10.263 -27.852 1.00 1.36  1   AC 1 
HETATM 3177 O O8    . LIG_AC AC 33 .   ? 5.596   -10.531 -28.387 1.00 1.41  1   AC 1 
HETATM 3178 C C28   . LIG_AC AC 33 .   ? 7.565   -9.563  -28.413 1.00 1.29  1   AC 1 
HETATM 3179 C C29   . LIG_AC AC 33 .   ? 7.574   -8.550  -28.975 1.00 1.41  1   AC 1 
HETATM 3180 C C30   . LIG_AC AC 33 .   ? 7.669   -7.564  -29.477 1.00 1.42  1   AC 1 
HETATM 3181 C C31   . LIG_AC AC 33 .   ? 7.655   -6.562  -30.008 1.00 1.41  1   AC 1 
HETATM 3182 C C32   . LIG_AC AC 33 .   ? 7.659   -5.598  -30.536 1.00 1.53  1   AC 1 
HETATM 3183 C C33   . LIG_AC AC 33 .   ? 7.626   -4.629  -31.112 1.00 1.50  1   AC 1 
HETATM 3184 C C34   . LIG_AC AC 33 .   ? 7.607   -3.673  -31.702 1.00 1.49  1   AC 1 
HETATM 3185 C C35   . LIG_AC AC 33 .   ? 7.604   -2.731  -32.316 1.00 1.49  1   AC 1 
HETATM 3186 C C36   . LIG_AC AC 33 .   ? 7.626   -1.797  -32.963 1.00 1.56  1   AC 1 
HETATM 3187 C C37   . LIG_AC AC 33 .   ? 7.676   -0.866  -33.639 1.00 1.58  1   AC 1 
HETATM 3188 C C38   . LIG_AC AC 33 .   ? 7.746   0.055   -34.326 1.00 1.47  1   AC 1 
HETATM 3189 C C39   . LIG_AC AC 33 .   ? 7.835   0.996   -35.011 1.00 1.58  1   AC 1 
HETATM 3190 C C40   . LIG_AC AC 33 .   ? 7.935   1.941   -35.649 1.00 1.69  1   AC 1 
HETATM 3191 C C41   . LIG_AC AC 33 .   ? 8.043   2.902   -36.253 1.00 1.48  1   AC 1 
HETATM 3192 C C42   . LIG_AC AC 33 .   ? 8.155   3.827   -36.803 1.00 1.56  1   AC 1 
HETATM 3193 C C43   . LIG_AC AC 33 .   ? 8.263   4.719   -37.372 1.00 1.40  1   AC 1 
HETATM 3194 C C44   . LIG_AC AC 33 .   ? 8.411   5.663   -38.063 1.00 1.52  1   AC 1 
HETATM 3195 C C1    . LIG_BC BC 34 .   ? 12.003  12.708  -16.661 1.00 1.29  1   BC 1 
HETATM 3196 C C2    . LIG_BC BC 34 .   ? 11.390  12.053  -15.843 1.00 1.28  1   BC 1 
HETATM 3197 C C3    . LIG_BC BC 34 .   ? 10.816  11.177  -15.523 1.00 1.30  1   BC 1 
HETATM 3198 C C4    . LIG_BC BC 34 .   ? 10.283  10.504  -14.764 1.00 1.32  1   BC 1 
HETATM 3199 C C5    . LIG_BC BC 34 .   ? 9.709   9.667   -14.325 1.00 1.34  1   BC 1 
HETATM 3200 C C6    . LIG_BC BC 34 .   ? 9.255   8.986   -13.565 1.00 1.36  1   BC 1 
HETATM 3201 C C7    . LIG_BC BC 34 .   ? 8.809   8.242   -12.956 1.00 1.33  1   BC 1 
HETATM 3202 C C8    . LIG_BC BC 34 .   ? 8.446   7.520   -12.203 1.00 1.41  1   BC 1 
HETATM 3203 C C9    . LIG_BC BC 34 .   ? 8.117   6.759   -11.557 1.00 1.43  1   BC 1 
HETATM 3204 C C10   . LIG_BC BC 34 .   ? 7.866   5.945   -10.821 1.00 1.49  1   BC 1 
HETATM 3205 C C11   . LIG_BC BC 34 .   ? 7.706   5.077   -10.218 1.00 1.56  1   BC 1 
HETATM 3206 C C12   . LIG_BC BC 34 .   ? 7.613   4.243   -9.472  1.00 1.66  1   BC 1 
HETATM 3207 C C13   . LIG_BC BC 34 .   ? 7.635   3.216   -9.037  1.00 1.56  1   BC 1 
HETATM 3208 C C14   . LIG_BC BC 34 .   ? 7.617   2.461   -8.126  1.00 1.61  1   BC 1 
HETATM 3209 C C15   . LIG_BC BC 34 .   ? 7.724   1.342   -7.886  1.00 1.54  1   BC 1 
HETATM 3210 C C16   . LIG_BC BC 34 .   ? 7.770   0.603   -6.859  1.00 1.58  1   BC 1 
HETATM 3211 C C17   . LIG_BC BC 34 .   ? 7.498   -0.649  -6.936  1.00 1.43  1   BC 1 
HETATM 3212 C C18   . LIG_BC BC 34 .   ? 7.626   -1.479  -5.884  1.00 1.46  1   BC 1 
HETATM 3213 O O1    . LIG_BC BC 34 .   ? 8.636   -2.076  -5.697  1.00 1.92  1   BC 1 
HETATM 3214 O O2    . LIG_BC BC 34 .   ? 6.657   -1.547  -5.173  1.00 1.84  1   BC 1 
HETATM 3215 C C19   . LIG_BC BC 34 .   ? 6.684   -2.427  -4.137  1.00 1.46  1   BC 1 
HETATM 3216 C C20   . LIG_BC BC 34 .   ? 5.583   -2.121  -3.221  1.00 1.61  1   BC 1 
HETATM 3217 C C21   . LIG_BC BC 34 .   ? 5.359   -3.106  -2.136  1.00 1.63  1   BC 1 
HETATM 3218 O O3    . LIG_BC BC 34 .   ? 5.745   -4.352  -2.460  1.00 1.60  1   BC 1 
HETATM 3219 P P1    . LIG_BC BC 34 .   ? 5.636   -5.467  -1.420  1.00 1.69  1   BC 1 
HETATM 3220 O O4    . LIG_BC BC 34 .   ? 6.587   -6.490  -1.773  1.00 1.44  1   BC 1 
HETATM 3221 O O5    . LIG_BC BC 34 .   ? 5.626   -4.947  -0.103  1.00 1.60  1   BC 1 
HETATM 3222 O O6    . LIG_BC BC 34 .   ? 4.198   -6.024  -1.763  1.00 1.61  1   BC 1 
HETATM 3223 C C22   . LIG_BC BC 34 .   ? 3.474   -6.628  -0.912  1.00 1.75  1   BC 1 
HETATM 3224 C C23   . LIG_BC BC 34 .   ? 2.345   -7.118  -1.514  1.00 1.86  1   BC 1 
HETATM 3225 N N1    . LIG_BC BC 34 .   ? 1.381   -6.384  -1.498  1.00 3.52  1   BC 1 
HETATM 3226 O O7    . LIG_BC BC 34 .   ? 4.409   -2.072  -3.958  1.00 1.45  1   BC 1 
HETATM 3227 C C24   . LIG_BC BC 34 .   ? 3.705   -1.039  -3.718  1.00 1.50  1   BC 1 
HETATM 3228 O O8    . LIG_BC BC 34 .   ? 3.929   -0.331  -2.763  1.00 1.46  1   BC 1 
HETATM 3229 C C25   . LIG_BC BC 34 .   ? 2.689   -0.771  -4.617  1.00 1.46  1   BC 1 
HETATM 3230 C C26   . LIG_BC BC 34 .   ? 3.042   0.054   -5.602  1.00 1.66  1   BC 1 
HETATM 3231 C C27   . LIG_BC BC 34 .   ? 2.712   1.246   -5.749  1.00 1.67  1   BC 1 
HETATM 3232 C C28   . LIG_BC BC 34 .   ? 2.939   2.087   -6.578  1.00 1.46  1   BC 1 
HETATM 3233 C C29   . LIG_BC BC 34 .   ? 2.927   3.111   -7.038  1.00 1.45  1   BC 1 
HETATM 3234 C C30   . LIG_BC BC 34 .   ? 3.055   3.937   -7.784  1.00 1.41  1   BC 1 
HETATM 3235 C C31   . LIG_BC BC 34 .   ? 3.065   4.840   -8.443  1.00 1.34  1   BC 1 
HETATM 3236 C C32   . LIG_BC BC 34 .   ? 3.135   5.614   -9.201  1.00 1.37  1   BC 1 
HETATM 3237 C C33   . LIG_BC BC 34 .   ? 3.142   6.441   -9.905  1.00 1.35  1   BC 1 
HETATM 3238 C C34   . LIG_BC BC 34 .   ? 3.167   7.275   -10.609 1.00 1.31  1   BC 1 
HETATM 3239 C C35   . LIG_BC BC 34 .   ? 3.143   8.200   -11.206 1.00 1.31  1   BC 1 
HETATM 3240 C C36   . LIG_BC BC 34 .   ? 3.208   9.129   -11.749 1.00 1.33  1   BC 1 
HETATM 3241 C C37   . LIG_BC BC 34 .   ? 3.201   10.099  -12.230 1.00 1.38  1   BC 1 
HETATM 3242 C C38   . LIG_BC BC 34 .   ? 3.276   11.071  -12.731 1.00 1.36  1   BC 1 
HETATM 3243 C C39   . LIG_BC BC 34 .   ? 3.220   12.059  -13.269 1.00 1.33  1   BC 1 
HETATM 3244 C C40   . LIG_BC BC 34 .   ? 3.335   12.997  -13.836 1.00 1.31  1   BC 1 
HETATM 3245 C C41   . LIG_BC BC 34 .   ? 3.304   14.025  -14.442 1.00 1.24  1   BC 1 
HETATM 3246 C C1    . LIG_DC DC 35 .   ? -1.509  22.254  -3.434  1.00 1.25  1   DC 1 
HETATM 3247 C C2    . LIG_DC DC 35 .   ? -1.680  22.489  -4.574  1.00 1.23  1   DC 1 
HETATM 3248 C C3    . LIG_DC DC 35 .   ? -1.783  22.416  -5.655  1.00 1.24  1   DC 1 
HETATM 3249 C C4    . LIG_DC DC 35 .   ? -1.933  22.567  -6.738  1.00 1.23  1   DC 1 
HETATM 3250 C C5    . LIG_DC DC 35 .   ? -2.017  22.646  -7.797  1.00 1.24  1   DC 1 
HETATM 3251 C C6    . LIG_DC DC 35 .   ? -2.004  22.859  -8.844  1.00 1.19  1   DC 1 
HETATM 3252 C C7    . LIG_DC DC 35 .   ? -1.994  23.124  -9.861  1.00 1.20  1   DC 1 
HETATM 3253 C C8    . LIG_DC DC 35 .   ? -1.806  23.494  -10.828 1.00 1.23  1   DC 1 
HETATM 3254 C C9    . LIG_DC DC 35 .   ? -1.693  23.909  -11.793 1.00 1.24  1   DC 1 
HETATM 3255 C C10   . LIG_DC DC 35 .   ? -1.440  24.365  -12.742 1.00 1.26  1   DC 1 
HETATM 3256 C C11   . LIG_DC DC 35 .   ? -1.373  24.915  -13.650 1.00 1.23  1   DC 1 
HETATM 3257 C C12   . LIG_DC DC 35 .   ? -1.029  25.479  -14.568 1.00 1.33  1   DC 1 
HETATM 3258 C C13   . LIG_DC DC 35 .   ? -1.116  26.204  -15.384 1.00 1.28  1   DC 1 
HETATM 3259 C C14   . LIG_DC DC 35 .   ? -0.695  26.804  -16.297 1.00 1.27  1   DC 1 
HETATM 3260 C C15   . LIG_DC DC 35 .   ? -1.102  27.729  -16.945 1.00 1.31  1   DC 1 
HETATM 3261 C C16   . LIG_DC DC 35 .   ? -0.575  28.402  -17.890 1.00 1.30  1   DC 1 
HETATM 3262 C C17   . LIG_DC DC 35 .   ? -0.737  29.632  -17.893 1.00 1.21  1   DC 1 
HETATM 3263 C C18   . LIG_DC DC 35 .   ? -0.216  30.498  -18.727 1.00 1.24  1   DC 1 
HETATM 3264 O O1    . LIG_DC DC 35 .   ? -0.329  30.422  -19.895 1.00 1.40  1   DC 1 
HETATM 3265 O O2    . LIG_DC DC 35 .   ? 0.375   31.348  -18.124 1.00 1.41  1   DC 1 
HETATM 3266 C C19   . LIG_DC DC 35 .   ? 0.832   32.327  -18.848 1.00 1.20  1   DC 1 
HETATM 3267 C C20   . LIG_DC DC 35 .   ? 1.354   33.377  -17.995 1.00 1.21  1   DC 1 
HETATM 3268 C C21   . LIG_DC DC 35 .   ? 1.761   34.530  -18.822 1.00 1.19  1   DC 1 
HETATM 3269 O O3    . LIG_DC DC 35 .   ? 0.992   35.599  -18.544 1.00 1.23  1   DC 1 
HETATM 3270 P P1    . LIG_DC DC 35 .   ? 1.439   37.044  -18.930 1.00 1.32  1   DC 1 
HETATM 3271 O O4    . LIG_DC DC 35 .   ? 2.782   37.144  -18.397 1.00 1.22  1   DC 1 
HETATM 3272 O O5    . LIG_DC DC 35 .   ? 0.496   37.866  -18.288 1.00 1.22  1   DC 1 
HETATM 3273 O O6    . LIG_DC DC 35 .   ? 1.419   37.076  -20.355 1.00 1.25  1   DC 1 
HETATM 3274 O O7    . LIG_DC DC 35 .   ? 2.486   32.884  -17.359 1.00 1.25  1   DC 1 
HETATM 3275 C C22   . LIG_DC DC 35 .   ? 2.562   33.103  -16.145 1.00 1.32  1   DC 1 
HETATM 3276 O O8    . LIG_DC DC 35 .   ? 1.658   33.581  -15.538 1.00 1.33  1   DC 1 
HETATM 3277 C C23   . LIG_DC DC 35 .   ? 3.742   32.717  -15.556 1.00 1.27  1   DC 1 
HETATM 3278 C C24   . LIG_DC DC 35 .   ? 3.567   32.065  -14.400 1.00 1.39  1   DC 1 
HETATM 3279 C C25   . LIG_DC DC 35 .   ? 3.133   30.805  -14.490 1.00 1.46  1   DC 1 
HETATM 3280 C C26   . LIG_DC DC 35 .   ? 3.110   30.143  -13.437 1.00 1.46  1   DC 1 
HETATM 3281 C C27   . LIG_DC DC 35 .   ? 2.753   28.979  -13.288 1.00 1.43  1   DC 1 
HETATM 3282 C C28   . LIG_DC DC 35 .   ? 2.646   28.421  -12.252 1.00 1.28  1   DC 1 
HETATM 3283 C C29   . LIG_DC DC 35 .   ? 2.340   27.475  -11.793 1.00 1.32  1   DC 1 
HETATM 3284 C C30   . LIG_DC DC 35 .   ? 2.187   26.811  -10.980 1.00 1.36  1   DC 1 
HETATM 3285 C C31   . LIG_DC DC 35 .   ? 1.996   26.009  -10.327 1.00 1.35  1   DC 1 
HETATM 3286 C C32   . LIG_DC DC 35 .   ? 1.926   25.301  -9.598  1.00 1.43  1   DC 1 
HETATM 3287 C C33   . LIG_DC DC 35 .   ? 1.909   24.415  -9.007  1.00 1.37  1   DC 1 
HETATM 3288 C C34   . LIG_DC DC 35 .   ? 2.243   23.556  -8.492  1.00 1.40  1   DC 1 
HETATM 3289 C C35   . LIG_DC DC 35 .   ? 2.243   22.567  -8.002  1.00 1.37  1   DC 1 
HETATM 3290 C C36   . LIG_DC DC 35 .   ? 2.967   21.696  -7.676  1.00 1.47  1   DC 1 
HETATM 3291 C C37   . LIG_DC DC 35 .   ? 2.858   20.616  -7.199  1.00 1.45  1   DC 1 
HETATM 3292 C C38   . LIG_DC DC 35 .   ? 3.704   19.774  -7.006  1.00 1.35  1   DC 1 
HETATM 3293 C C39   . LIG_DC DC 35 .   ? 4.935   19.928  -7.452  1.00 1.39  1   DC 1 
HETATM 3294 C C1    . LIG_AD AD 36 .   ? 24.997  12.319  -18.764 1.00 1.71  1   AD 1 
HETATM 3295 C C2    . LIG_AD AD 36 .   ? 25.856  12.707  -18.675 1.00 2.25  1   AD 1 
HETATM 3296 C C3    . LIG_AD AD 36 .   ? 26.568  12.380  -17.935 1.00 2.13  1   AD 1 
HETATM 3297 C C4    . LIG_AD AD 36 .   ? 26.833  11.748  -17.109 1.00 2.34  1   AD 1 
HETATM 3298 C C5    . LIG_AD AD 36 .   ? 26.993  11.045  -16.267 1.00 1.97  1   AD 1 
HETATM 3299 C C6    . LIG_AD AD 36 .   ? 26.982  10.283  -15.457 1.00 1.73  1   AD 1 
HETATM 3300 C C7    . LIG_AD AD 36 .   ? 26.929  9.512   -14.666 1.00 1.67  1   AD 1 
HETATM 3301 C C8    . LIG_AD AD 36 .   ? 26.833  8.710   -13.897 1.00 1.59  1   AD 1 
HETATM 3302 C C9    . LIG_AD AD 36 .   ? 26.727  7.920   -13.123 1.00 1.65  1   AD 1 
HETATM 3303 C C10   . LIG_AD AD 36 .   ? 26.613  7.094   -12.314 1.00 1.66  1   AD 1 
HETATM 3304 C C11   . LIG_AD AD 36 .   ? 26.513  6.299   -11.530 1.00 1.56  1   AD 1 
HETATM 3305 C C12   . LIG_AD AD 36 .   ? 26.414  5.491   -10.719 1.00 1.62  1   AD 1 
HETATM 3306 C C13   . LIG_AD AD 36 .   ? 26.327  4.695   -9.923  1.00 1.35  1   AD 1 
HETATM 3307 C C14   . LIG_AD AD 36 .   ? 26.247  3.890   -9.100  1.00 1.35  1   AD 1 
HETATM 3308 C C15   . LIG_AD AD 36 .   ? 26.149  3.110   -8.326  1.00 1.31  1   AD 1 
HETATM 3309 C C16   . LIG_AD AD 36 .   ? 26.060  2.286   -7.489  1.00 1.29  1   AD 1 
HETATM 3310 C C17   . LIG_AD AD 36 .   ? 25.864  1.533   -6.783  1.00 1.23  1   AD 1 
HETATM 3311 C C18   . LIG_AD AD 36 .   ? 25.886  0.664   -5.846  1.00 1.26  1   AD 1 
HETATM 3312 O O1    . LIG_AD AD 36 .   ? 26.802  0.546   -5.148  1.00 1.59  1   AD 1 
HETATM 3313 O O2    . LIG_AD AD 36 .   ? 24.860  0.018   -5.746  1.00 1.57  1   AD 1 
HETATM 3314 C C19   . LIG_AD AD 36 .   ? 24.824  -0.914  -4.846  1.00 1.20  1   AD 1 
HETATM 3315 C C20   . LIG_AD AD 36 .   ? 23.589  -1.484  -4.658  1.00 1.25  1   AD 1 
HETATM 3316 C C21   . LIG_AD AD 36 .   ? 23.598  -2.882  -4.312  1.00 1.23  1   AD 1 
HETATM 3317 O O3    . LIG_AD AD 36 .   ? 23.037  -2.968  -3.105  1.00 1.27  1   AD 1 
HETATM 3318 P P1    . LIG_AD AD 36 .   ? 23.044  -4.219  -2.244  1.00 1.22  1   AD 1 
HETATM 3319 O O4    . LIG_AD AD 36 .   ? 23.229  -5.380  -3.046  1.00 1.17  1   AD 1 
HETATM 3320 O O5    . LIG_AD AD 36 .   ? 21.934  -4.136  -1.374  1.00 1.19  1   AD 1 
HETATM 3321 O O6    . LIG_AD AD 36 .   ? 24.336  -3.915  -1.482  1.00 1.24  1   AD 1 
HETATM 3322 C C22   . LIG_AD AD 36 .   ? 24.586  -4.224  -0.303  1.00 1.30  1   AD 1 
HETATM 3323 C C23   . LIG_AD AD 36 .   ? 25.664  -3.523  0.181   1.00 1.25  1   AD 1 
HETATM 3324 N N1    . LIG_AD AD 36 .   ? 26.886  -3.661  -0.461  1.00 1.96  1   AD 1 
HETATM 3325 C C24   . LIG_AD AD 36 .   ? 26.929  -2.812  -1.586  1.00 1.34  1   AD 1 
HETATM 3326 C C25   . LIG_AD AD 36 .   ? 27.884  -3.288  0.423   1.00 1.34  1   AD 1 
HETATM 3327 C C26   . LIG_AD AD 36 .   ? 27.068  -5.013  -0.858  1.00 1.39  1   AD 1 
HETATM 3328 O O7    . LIG_AD AD 36 .   ? 22.506  -1.081  -5.346  1.00 1.40  1   AD 1 
HETATM 3329 C C27   . LIG_AD AD 36 .   ? 22.261  -1.434  -6.546  1.00 1.40  1   AD 1 
HETATM 3330 O O8    . LIG_AD AD 36 .   ? 22.683  -2.410  -7.057  1.00 1.44  1   AD 1 
HETATM 3331 C C28   . LIG_AD AD 36 .   ? 21.519  -0.555  -7.182  1.00 1.32  1   AD 1 
HETATM 3332 C C29   . LIG_AD AD 36 .   ? 21.707  0.254   -7.956  1.00 1.45  1   AD 1 
HETATM 3333 C C30   . LIG_AD AD 36 .   ? 21.786  1.116   -8.648  1.00 1.44  1   AD 1 
HETATM 3334 C C31   . LIG_AD AD 36 .   ? 21.972  1.952   -9.372  1.00 1.43  1   AD 1 
HETATM 3335 C C32   . LIG_AD AD 36 .   ? 22.085  2.756   -10.119 1.00 1.56  1   AD 1 
HETATM 3336 C C33   . LIG_AD AD 36 .   ? 22.235  3.537   -10.919 1.00 1.51  1   AD 1 
HETATM 3337 C C34   . LIG_AD AD 36 .   ? 22.362  4.290   -11.754 1.00 1.49  1   AD 1 
HETATM 3338 C C35   . LIG_AD AD 36 .   ? 22.478  5.038   -12.603 1.00 1.49  1   AD 1 
HETATM 3339 C C36   . LIG_AD AD 36 .   ? 22.595  5.782   -13.464 1.00 1.56  1   AD 1 
HETATM 3340 C C37   . LIG_AD AD 36 .   ? 22.721  6.543   -14.321 1.00 1.64  1   AD 1 
HETATM 3341 C C38   . LIG_AD AD 36 .   ? 22.840  7.333   -15.178 1.00 1.51  1   AD 1 
HETATM 3342 C C39   . LIG_AD AD 36 .   ? 22.953  8.155   -16.032 1.00 1.67  1   AD 1 
HETATM 3343 C C40   . LIG_AD AD 36 .   ? 23.061  9.000   -16.841 1.00 1.80  1   AD 1 
HETATM 3344 C C41   . LIG_AD AD 36 .   ? 23.160  9.867   -17.607 1.00 1.55  1   AD 1 
HETATM 3345 C C42   . LIG_AD AD 36 .   ? 23.240  10.685  -18.341 1.00 1.59  1   AD 1 
HETATM 3346 C C43   . LIG_AD AD 36 .   ? 23.236  11.473  -19.094 1.00 1.43  1   AD 1 
HETATM 3347 C C44   . LIG_AD AD 36 .   ? 23.144  12.319  -19.962 1.00 1.48  1   AD 1 
HETATM 3348 C C1    . LIG_BD BD 37 .   ? 15.039  5.929   -37.024 1.00 1.56  1   BD 1 
HETATM 3349 C C2    . LIG_BD BD 37 .   ? 15.298  5.287   -36.354 1.00 2.06  1   BD 1 
HETATM 3350 C C3    . LIG_BD BD 37 .   ? 15.376  4.384   -35.747 1.00 2.17  1   BD 1 
HETATM 3351 C C4    . LIG_BD BD 37 .   ? 15.372  3.443   -35.205 1.00 2.10  1   BD 1 
HETATM 3352 C C5    . LIG_BD BD 37 .   ? 15.285  2.446   -34.713 1.00 1.95  1   BD 1 
HETATM 3353 C C6    . LIG_BD BD 37 .   ? 15.145  1.444   -34.249 1.00 1.67  1   BD 1 
HETATM 3354 C C7    . LIG_BD BD 37 .   ? 14.975  0.464   -33.807 1.00 1.59  1   BD 1 
HETATM 3355 C C8    . LIG_BD BD 37 .   ? 14.757  -0.524  -33.398 1.00 1.54  1   BD 1 
HETATM 3356 C C9    . LIG_BD BD 37 .   ? 14.516  -1.484  -32.995 1.00 1.58  1   BD 1 
HETATM 3357 C C10   . LIG_BD BD 37 .   ? 14.257  -2.488  -32.589 1.00 1.64  1   BD 1 
HETATM 3358 C C11   . LIG_BD BD 37 .   ? 13.993  -3.465  -32.212 1.00 1.55  1   BD 1 
HETATM 3359 C C12   . LIG_BD BD 37 .   ? 13.724  -4.478  -31.854 1.00 1.64  1   BD 1 
HETATM 3360 C C13   . LIG_BD BD 37 .   ? 13.474  -5.484  -31.529 1.00 1.38  1   BD 1 
HETATM 3361 C C14   . LIG_BD BD 37 .   ? 13.203  -6.524  -31.246 1.00 1.37  1   BD 1 
HETATM 3362 C C15   . LIG_BD BD 37 .   ? 12.958  -7.525  -30.949 1.00 1.37  1   BD 1 
HETATM 3363 C C16   . LIG_BD BD 37 .   ? 12.693  -8.607  -30.715 1.00 1.32  1   BD 1 
HETATM 3364 C C17   . LIG_BD BD 37 .   ? 12.467  -9.561  -30.399 1.00 1.23  1   BD 1 
HETATM 3365 C C18   . LIG_BD BD 37 .   ? 12.153  -10.805 -30.391 1.00 1.25  1   BD 1 
HETATM 3366 O O1    . LIG_BD BD 37 .   ? 12.964  -11.635 -30.329 1.00 1.57  1   BD 1 
HETATM 3367 O O2    . LIG_BD BD 37 .   ? 10.956  -11.001 -30.456 1.00 1.43  1   BD 1 
HETATM 3368 C C19   . LIG_BD BD 37 .   ? 10.560  -12.252 -30.637 1.00 1.18  1   BD 1 
HETATM 3369 C C20   . LIG_BD BD 37 .   ? 9.281   -12.267 -31.340 1.00 1.20  1   BD 1 
HETATM 3370 C C21   . LIG_BD BD 37 .   ? 8.866   -13.615 -31.764 1.00 1.20  1   BD 1 
HETATM 3371 O O3    . LIG_BD BD 37 .   ? 8.985   -14.486 -30.798 1.00 1.19  1   BD 1 
HETATM 3372 P P1    . LIG_BD BD 37 .   ? 8.301   -15.849 -30.913 1.00 1.20  1   BD 1 
HETATM 3373 O O4    . LIG_BD BD 37 .   ? 8.872   -16.695 -29.917 1.00 1.15  1   BD 1 
HETATM 3374 O O5    . LIG_BD BD 37 .   ? 8.206   -16.288 -32.243 1.00 1.15  1   BD 1 
HETATM 3375 O O6    . LIG_BD BD 37 .   ? 6.877   -15.419 -30.462 1.00 1.20  1   BD 1 
HETATM 3376 C C22   . LIG_BD BD 37 .   ? 6.238   -15.938 -29.525 1.00 1.23  1   BD 1 
HETATM 3377 C C23   . LIG_BD BD 37 .   ? 5.056   -15.391 -29.601 1.00 1.23  1   BD 1 
HETATM 3378 N N1    . LIG_BD BD 37 .   ? 4.918   -14.534 -30.391 1.00 1.98  1   BD 1 
HETATM 3379 O O7    . LIG_BD BD 37 .   ? 9.394   -11.542 -32.479 1.00 1.28  1   BD 1 
HETATM 3380 C C24   . LIG_BD BD 37 .   ? 8.645   -10.573 -32.539 1.00 1.26  1   BD 1 
HETATM 3381 O O8    . LIG_BD BD 37 .   ? 7.669   -10.451 -31.854 1.00 1.35  1   BD 1 
HETATM 3382 C C25   . LIG_BD BD 37 .   ? 9.019   -9.668  -33.323 1.00 1.27  1   BD 1 
HETATM 3383 C C26   . LIG_BD BD 37 .   ? 9.020   -8.583  -33.448 1.00 1.38  1   BD 1 
HETATM 3384 C C27   . LIG_BD BD 37 .   ? 9.315   -7.595  -33.789 1.00 1.47  1   BD 1 
HETATM 3385 C C28   . LIG_BD BD 37 .   ? 9.533   -6.564  -34.043 1.00 1.40  1   BD 1 
HETATM 3386 C C29   . LIG_BD BD 37 .   ? 9.835   -5.566  -34.390 1.00 1.48  1   BD 1 
HETATM 3387 C C30   . LIG_BD BD 37 .   ? 10.114  -4.587  -34.769 1.00 1.51  1   BD 1 
HETATM 3388 C C31   . LIG_BD BD 37 .   ? 10.423  -3.643  -35.234 1.00 1.53  1   BD 1 
HETATM 3389 C C32   . LIG_BD BD 37 .   ? 10.732  -2.759  -35.733 1.00 1.65  1   BD 1 
HETATM 3390 C C33   . LIG_BD BD 37 .   ? 11.048  -1.887  -36.265 1.00 1.59  1   BD 1 
HETATM 3391 C C34   . LIG_BD BD 37 .   ? 11.373  -1.006  -36.789 1.00 1.58  1   BD 1 
HETATM 3392 C C35   . LIG_BD BD 37 .   ? 11.684  -0.098  -37.277 1.00 1.62  1   BD 1 
HETATM 3393 C C36   . LIG_BD BD 37 .   ? 11.983  0.851   -37.709 1.00 1.82  1   BD 1 
HETATM 3394 C C37   . LIG_BD BD 37 .   ? 12.276  1.835   -38.088 1.00 1.90  1   BD 1 
HETATM 3395 C C38   . LIG_BD BD 37 .   ? 12.579  2.825   -38.415 1.00 1.62  1   BD 1 
HETATM 3396 C C39   . LIG_BD BD 37 .   ? 12.909  3.836   -38.677 1.00 1.62  1   BD 1 
HETATM 3397 C C40   . LIG_BD BD 37 .   ? 13.255  4.811   -38.829 1.00 1.53  1   BD 1 
HETATM 3398 C C41   . LIG_BD BD 37 .   ? 13.619  5.787   -38.934 1.00 1.35  1   BD 1 
HETATM 3399 C C1    . LIG_DD DD 38 .   ? 12.146  13.172  -6.687  1.00 1.61  1   DD 1 
HETATM 3400 C C2    . LIG_DD DD 38 .   ? 11.592  14.005  -7.362  1.00 1.47  1   DD 1 
HETATM 3401 C C3    . LIG_DD DD 38 .   ? 11.821  14.892  -7.932  1.00 1.41  1   DD 1 
HETATM 3402 C C4    . LIG_DD DD 38 .   ? 11.311  15.843  -8.329  1.00 1.40  1   DD 1 
HETATM 3403 C C5    . LIG_DD DD 38 .   ? 11.239  16.926  -8.171  1.00 1.41  1   DD 1 
HETATM 3404 C C6    . LIG_DD DD 38 .   ? 10.784  17.924  -8.381  1.00 1.34  1   DD 1 
HETATM 3405 C C7    . LIG_DD DD 38 .   ? 10.570  18.959  -8.149  1.00 1.33  1   DD 1 
HETATM 3406 C C8    . LIG_DD DD 38 .   ? 10.163  19.945  -8.375  1.00 1.42  1   DD 1 
HETATM 3407 C C9    . LIG_DD DD 38 .   ? 9.913   20.946  -8.321  1.00 1.45  1   DD 1 
HETATM 3408 C C10   . LIG_DD DD 38 .   ? 9.501   21.869  -8.695  1.00 1.45  1   DD 1 
HETATM 3409 C C11   . LIG_DD DD 38 .   ? 9.162   22.647  -9.223  1.00 1.41  1   DD 1 
HETATM 3410 C C12   . LIG_DD DD 38 .   ? 8.685   23.470  -9.856  1.00 1.48  1   DD 1 
HETATM 3411 C C13   . LIG_DD DD 38 .   ? 8.752   24.493  -10.223 1.00 1.35  1   DD 1 
HETATM 3412 C C14   . LIG_DD DD 38 .   ? 8.330   25.344  -10.961 1.00 1.32  1   DD 1 
HETATM 3413 C C15   . LIG_DD DD 38 .   ? 8.725   26.499  -11.076 1.00 1.34  1   DD 1 
HETATM 3414 C C16   . LIG_DD DD 38 .   ? 8.231   27.404  -11.825 1.00 1.34  1   DD 1 
HETATM 3415 C C17   . LIG_DD DD 38 .   ? 8.781   28.562  -11.914 1.00 1.22  1   DD 1 
HETATM 3416 C C18   . LIG_DD DD 38 .   ? 8.215   29.480  -12.730 1.00 1.24  1   DD 1 
HETATM 3417 O O1    . LIG_DD DD 38 .   ? 7.153   29.320  -13.238 1.00 1.48  1   DD 1 
HETATM 3418 O O2    . LIG_DD DD 38 .   ? 8.882   30.466  -12.867 1.00 1.47  1   DD 1 
HETATM 3419 C C19   . LIG_DD DD 38 .   ? 8.475   31.261  -13.824 1.00 1.19  1   DD 1 
HETATM 3420 C C20   . LIG_DD DD 38 .   ? 8.056   32.571  -13.379 1.00 1.19  1   DD 1 
HETATM 3421 C C21   . LIG_DD DD 38 .   ? 8.647   33.602  -14.280 1.00 1.18  1   DD 1 
HETATM 3422 O O3    . LIG_DD DD 38 .   ? 9.658   34.217  -13.635 1.00 1.25  1   DD 1 
HETATM 3423 P P1    . LIG_DD DD 38 .   ? 10.501  35.361  -14.285 1.00 1.32  1   DD 1 
HETATM 3424 O O4    . LIG_DD DD 38 .   ? 11.550  35.537  -13.337 1.00 1.26  1   DD 1 
HETATM 3425 O O5    . LIG_DD DD 38 .   ? 9.606   36.435  -14.430 1.00 1.27  1   DD 1 
HETATM 3426 O O6    . LIG_DD DD 38 .   ? 10.940  34.847  -15.514 1.00 1.31  1   DD 1 
HETATM 3427 O O7    . LIG_DD DD 38 .   ? 8.499   32.828  -12.111 1.00 1.25  1   DD 1 
HETATM 3428 C C22   . LIG_DD DD 38 .   ? 7.619   33.379  -11.364 1.00 1.31  1   DD 1 
HETATM 3429 O O8    . LIG_DD DD 38 .   ? 6.534   33.657  -11.750 1.00 1.26  1   DD 1 
HETATM 3430 C C23   . LIG_DD DD 38 .   ? 8.020   33.620  -10.058 1.00 1.28  1   DD 1 
HETATM 3431 C C24   . LIG_DD DD 38 .   ? 7.112   33.211  -9.142  1.00 1.36  1   DD 1 
HETATM 3432 C C25   . LIG_DD DD 38 .   ? 6.940   31.874  -9.096  1.00 1.34  1   DD 1 
HETATM 3433 C C26   . LIG_DD DD 38 .   ? 6.108   31.346  -8.311  1.00 1.34  1   DD 1 
HETATM 3434 C C27   . LIG_DD DD 38 .   ? 5.809   30.106  -8.275  1.00 1.35  1   DD 1 
HETATM 3435 C C28   . LIG_DD DD 38 .   ? 4.973   29.665  -7.535  1.00 1.25  1   DD 1 
HETATM 3436 C C29   . LIG_DD DD 38 .   ? 4.359   28.761  -7.294  1.00 1.27  1   DD 1 
HETATM 3437 C C30   . LIG_DD DD 38 .   ? 3.480   28.406  -6.681  1.00 1.30  1   DD 1 
HETATM 3438 C C31   . LIG_DD DD 38 .   ? 2.702   27.731  -6.336  1.00 1.29  1   DD 1 
HETATM 3439 C C32   . LIG_DD DD 38 .   ? 1.815   27.394  -5.776  1.00 1.39  1   DD 1 
HETATM 3440 C C33   . LIG_DD DD 38 .   ? 1.296   26.362  -5.619  1.00 1.35  1   DD 1 
HETATM 3441 C C34   . LIG_DD DD 38 .   ? 1.755   25.484  -4.965  1.00 1.39  1   DD 1 
HETATM 3442 C C35   . LIG_DD DD 38 .   ? 1.715   24.434  -4.752  1.00 1.39  1   DD 1 
HETATM 3443 C C36   . LIG_DD DD 38 .   ? 2.173   23.562  -4.059  1.00 1.44  1   DD 1 
HETATM 3444 C C37   . LIG_DD DD 38 .   ? 2.028   23.568  -2.837  1.00 1.47  1   DD 1 
HETATM 3445 C C38   . LIG_DD DD 38 .   ? 2.269   22.735  -2.023  1.00 1.44  1   DD 1 
HETATM 3446 C C39   . LIG_DD DD 38 .   ? 2.113   22.771  -0.793  1.00 1.46  1   DD 1 
HETATM 3447 C C1    . LIG_AE AE 39 .   ? 17.985  20.645  -3.730  1.00 1.81  1   AE 1 
HETATM 3448 C C2    . LIG_AE AE 39 .   ? 17.774  20.704  -2.750  1.00 2.09  1   AE 1 
HETATM 3449 C C3    . LIG_AE AE 39 .   ? 17.531  20.317  -1.728  1.00 1.92  1   AE 1 
HETATM 3450 C C4    . LIG_AE AE 39 .   ? 17.242  19.770  -0.827  1.00 2.12  1   AE 1 
HETATM 3451 C C5    . LIG_AE AE 39 .   ? 16.928  19.138  0.024   1.00 1.85  1   AE 1 
HETATM 3452 C C6    . LIG_AE AE 39 .   ? 16.530  18.386  0.747   1.00 1.62  1   AE 1 
HETATM 3453 C C7    . LIG_AE AE 39 .   ? 16.087  17.596  1.357   1.00 1.64  1   AE 1 
HETATM 3454 C C8    . LIG_AE AE 39 .   ? 15.619  16.768  1.911   1.00 1.61  1   AE 1 
HETATM 3455 C C9    . LIG_AE AE 39 .   ? 15.104  15.939  2.395   1.00 1.70  1   AE 1 
HETATM 3456 C C10   . LIG_AE AE 39 .   ? 14.547  15.062  2.871   1.00 1.75  1   AE 1 
HETATM 3457 C C11   . LIG_AE AE 39 .   ? 14.007  14.200  3.330   1.00 1.63  1   AE 1 
HETATM 3458 C C12   . LIG_AE AE 39 .   ? 13.501  13.308  3.806   1.00 1.68  1   AE 1 
HETATM 3459 C C13   . LIG_AE AE 39 .   ? 13.049  12.413  4.291   1.00 1.39  1   AE 1 
HETATM 3460 C C14   . LIG_AE AE 39 .   ? 12.762  11.459  4.812   1.00 1.41  1   AE 1 
HETATM 3461 C C15   . LIG_AE AE 39 .   ? 12.490  10.523  5.316   1.00 1.37  1   AE 1 
HETATM 3462 C C16   . LIG_AE AE 39 .   ? 12.484  9.508   5.877   1.00 1.37  1   AE 1 
HETATM 3463 C C17   . LIG_AE AE 39 .   ? 12.272  8.597   6.419   1.00 1.26  1   AE 1 
HETATM 3464 C C18   . LIG_AE AE 39 .   ? 12.730  7.569   7.032   1.00 1.32  1   AE 1 
HETATM 3465 O O1    . LIG_AE AE 39 .   ? 12.200  7.164   7.992   1.00 1.68  1   AE 1 
HETATM 3466 O O2    . LIG_AE AE 39 .   ? 13.743  7.094   6.538   1.00 1.58  1   AE 1 
HETATM 3467 C C19   . LIG_AE AE 39 .   ? 14.350  6.180   7.248   1.00 1.23  1   AE 1 
HETATM 3468 C C20   . LIG_AE AE 39 .   ? 15.653  5.851   6.744   1.00 1.26  1   AE 1 
HETATM 3469 C C21   . LIG_AE AE 39 .   ? 16.466  5.244   7.814   1.00 1.26  1   AE 1 
HETATM 3470 O O3    . LIG_AE AE 39 .   ? 16.028  4.020   8.034   1.00 1.30  1   AE 1 
HETATM 3471 P P1    . LIG_AE AE 39 .   ? 16.818  3.095   8.974   1.00 1.28  1   AE 1 
HETATM 3472 O O4    . LIG_AE AE 39 .   ? 16.961  3.735   10.229  1.00 1.19  1   AE 1 
HETATM 3473 O O5    . LIG_AE AE 39 .   ? 17.969  2.635   8.329   1.00 1.22  1   AE 1 
HETATM 3474 O O6    . LIG_AE AE 39 .   ? 15.801  1.949   9.025   1.00 1.32  1   AE 1 
HETATM 3475 C C22   . LIG_AE AE 39 .   ? 14.586  2.143   9.117   1.00 1.39  1   AE 1 
HETATM 3476 C C23   . LIG_AE AE 39 .   ? 14.169  2.327   10.436  1.00 1.38  1   AE 1 
HETATM 3477 N N1    . LIG_AE AE 39 .   ? 12.837  2.105   10.654  1.00 2.27  1   AE 1 
HETATM 3478 C C24   . LIG_AE AE 39 .   ? 12.612  2.138   12.042  1.00 1.55  1   AE 1 
HETATM 3479 C C25   . LIG_AE AE 39 .   ? 12.501  0.826   10.174  1.00 1.72  1   AE 1 
HETATM 3480 C C26   . LIG_AE AE 39 .   ? 12.093  3.099   9.981   1.00 1.63  1   AE 1 
HETATM 3481 O O7    . LIG_AE AE 39 .   ? 16.286  6.990   6.335   1.00 1.43  1   AE 1 
HETATM 3482 C C27   . LIG_AE AE 39 .   ? 16.962  6.879   5.289   1.00 1.45  1   AE 1 
HETATM 3483 O O8    . LIG_AE AE 39 .   ? 17.469  5.863   4.943   1.00 1.44  1   AE 1 
HETATM 3484 C C28   . LIG_AE AE 39 .   ? 17.024  7.953   4.623   1.00 1.35  1   AE 1 
HETATM 3485 C C29   . LIG_AE AE 39 .   ? 17.206  8.437   3.677   1.00 1.45  1   AE 1 
HETATM 3486 C C30   . LIG_AE AE 39 .   ? 17.269  9.252   2.908   1.00 1.46  1   AE 1 
HETATM 3487 C C31   . LIG_AE AE 39 .   ? 17.366  10.021  2.129   1.00 1.45  1   AE 1 
HETATM 3488 C C32   . LIG_AE AE 39 .   ? 17.467  10.864  1.414   1.00 1.57  1   AE 1 
HETATM 3489 C C33   . LIG_AE AE 39 .   ? 17.601  11.694  0.684   1.00 1.54  1   AE 1 
HETATM 3490 C C34   . LIG_AE AE 39 .   ? 17.723  12.540  -0.034  1.00 1.51  1   AE 1 
HETATM 3491 C C35   . LIG_AE AE 39 .   ? 17.827  13.376  -0.754  1.00 1.53  1   AE 1 
HETATM 3492 C C36   . LIG_AE AE 39 .   ? 17.936  14.214  -1.488  1.00 1.58  1   AE 1 
HETATM 3493 C C37   . LIG_AE AE 39 .   ? 18.060  15.055  -2.214  1.00 1.62  1   AE 1 
HETATM 3494 C C38   . LIG_AE AE 39 .   ? 18.185  15.903  -2.940  1.00 1.50  1   AE 1 
HETATM 3495 C C39   . LIG_AE AE 39 .   ? 18.297  16.785  -3.631  1.00 1.60  1   AE 1 
HETATM 3496 C C40   . LIG_AE AE 39 .   ? 18.404  17.691  -4.278  1.00 1.75  1   AE 1 
HETATM 3497 C C41   . LIG_AE AE 39 .   ? 18.486  18.630  -4.880  1.00 1.47  1   AE 1 
HETATM 3498 C C42   . LIG_AE AE 39 .   ? 18.552  19.534  -5.437  1.00 1.56  1   AE 1 
HETATM 3499 C C43   . LIG_AE AE 39 .   ? 18.609  20.400  -6.052  1.00 1.40  1   AE 1 
HETATM 3500 C C44   . LIG_AE AE 39 .   ? 18.682  21.282  -6.750  1.00 1.43  1   AE 1 
HETATM 3501 C C1    . LIG_BE BE 40 .   ? 12.629  7.528   -26.893 1.00 1.53  1   BE 1 
HETATM 3502 C C2    . LIG_BE BE 40 .   ? 13.222  7.214   -26.166 1.00 1.87  1   BE 1 
HETATM 3503 C C3    . LIG_BE BE 40 .   ? 13.633  6.626   -25.351 1.00 1.88  1   BE 1 
HETATM 3504 C C4    . LIG_BE BE 40 .   ? 13.898  5.868   -24.597 1.00 1.95  1   BE 1 
HETATM 3505 C C5    . LIG_BE BE 40 .   ? 14.106  5.042   -23.867 1.00 1.76  1   BE 1 
HETATM 3506 C C6    . LIG_BE BE 40 .   ? 14.216  4.175   -23.149 1.00 1.62  1   BE 1 
HETATM 3507 C C7    . LIG_BE BE 40 .   ? 14.234  3.288   -22.476 1.00 1.59  1   BE 1 
HETATM 3508 C C8    . LIG_BE BE 40 .   ? 14.195  2.369   -21.835 1.00 1.57  1   BE 1 
HETATM 3509 C C9    . LIG_BE BE 40 .   ? 14.115  1.453   -21.224 1.00 1.69  1   BE 1 
HETATM 3510 C C10   . LIG_BE BE 40 .   ? 14.002  0.476   -20.619 1.00 1.66  1   BE 1 
HETATM 3511 C C11   . LIG_BE BE 40 .   ? 13.885  -0.487  -20.049 1.00 1.64  1   BE 1 
HETATM 3512 C C12   . LIG_BE BE 40 .   ? 13.739  -1.480  -19.492 1.00 1.70  1   BE 1 
HETATM 3513 C C13   . LIG_BE BE 40 .   ? 13.637  -2.480  -18.976 1.00 1.43  1   BE 1 
HETATM 3514 C C14   . LIG_BE BE 40 .   ? 13.463  -3.512  -18.500 1.00 1.40  1   BE 1 
HETATM 3515 C C15   . LIG_BE BE 40 .   ? 13.411  -4.526  -18.060 1.00 1.42  1   BE 1 
HETATM 3516 C C16   . LIG_BE BE 40 .   ? 13.198  -5.605  -17.656 1.00 1.42  1   BE 1 
HETATM 3517 C C17   . LIG_BE BE 40 .   ? 13.298  -6.603  -17.272 1.00 1.30  1   BE 1 
HETATM 3518 C C18   . LIG_BE BE 40 .   ? 12.931  -7.806  -16.946 1.00 1.34  1   BE 1 
HETATM 3519 O O1    . LIG_BE BE 40 .   ? 13.660  -8.714  -17.056 1.00 1.68  1   BE 1 
HETATM 3520 O O2    . LIG_BE BE 40 .   ? 11.774  -7.883  -16.527 1.00 1.63  1   BE 1 
HETATM 3521 C C19   . LIG_BE BE 40 .   ? 11.303  -9.100  -16.243 1.00 1.33  1   BE 1 
HETATM 3522 C C20   . LIG_BE BE 40 .   ? 9.891   -9.045  -15.872 1.00 1.40  1   BE 1 
HETATM 3523 C C21   . LIG_BE BE 40 .   ? 9.273   -10.383 -15.864 1.00 1.37  1   BE 1 
HETATM 3524 O O3    . LIG_BE BE 40 .   ? 9.814   -11.170 -14.983 1.00 1.33  1   BE 1 
HETATM 3525 P P1    . LIG_BE BE 40 .   ? 9.330   -12.612 -14.787 1.00 1.40  1   BE 1 
HETATM 3526 O O4    . LIG_BE BE 40 .   ? 9.424   -13.327 -16.007 1.00 1.21  1   BE 1 
HETATM 3527 O O5    . LIG_BE BE 40 .   ? 9.936   -13.086 -13.613 1.00 1.24  1   BE 1 
HETATM 3528 O O6    . LIG_BE BE 40 .   ? 7.811   -12.368 -14.506 1.00 1.34  1   BE 1 
HETATM 3529 C C22   . LIG_BE BE 40 .   ? 7.005   -13.302 -14.180 1.00 1.48  1   BE 1 
HETATM 3530 C C23   . LIG_BE BE 40 .   ? 5.834   -12.910 -14.624 1.00 1.51  1   BE 1 
HETATM 3531 N N1    . LIG_BE BE 40 .   ? 5.829   -12.046 -15.389 1.00 2.26  1   BE 1 
HETATM 3532 O O7    . LIG_BE BE 40 .   ? 9.190   -8.345  -16.815 1.00 1.50  1   BE 1 
HETATM 3533 C C24   . LIG_BE BE 40 .   ? 8.716   -7.267  -16.436 1.00 1.43  1   BE 1 
HETATM 3534 O O8    . LIG_BE BE 40 .   ? 8.636   -6.972  -15.281 1.00 1.59  1   BE 1 
HETATM 3535 C C25   . LIG_BE BE 40 .   ? 8.395   -6.468  -17.404 1.00 1.49  1   BE 1 
HETATM 3536 C C26   . LIG_BE BE 40 .   ? 8.492   -5.372  -17.615 1.00 1.64  1   BE 1 
HETATM 3537 C C27   . LIG_BE BE 40 .   ? 8.507   -4.427  -18.179 1.00 1.75  1   BE 1 
HETATM 3538 C C28   . LIG_BE BE 40 .   ? 8.605   -3.396  -18.558 1.00 1.64  1   BE 1 
HETATM 3539 C C29   . LIG_BE BE 40 .   ? 8.650   -2.410  -19.072 1.00 1.71  1   BE 1 
HETATM 3540 C C30   . LIG_BE BE 40 .   ? 8.745   -1.420  -19.550 1.00 1.70  1   BE 1 
HETATM 3541 C C31   . LIG_BE BE 40 .   ? 8.827   -0.474  -20.100 1.00 1.67  1   BE 1 
HETATM 3542 C C32   . LIG_BE BE 40 .   ? 8.949   0.418   -20.689 1.00 1.73  1   BE 1 
HETATM 3543 C C33   . LIG_BE BE 40 .   ? 9.078   1.256   -21.352 1.00 1.68  1   BE 1 
HETATM 3544 C C34   . LIG_BE BE 40 .   ? 9.212   2.065   -22.073 1.00 1.63  1   BE 1 
HETATM 3545 C C35   . LIG_BE BE 40 .   ? 9.355   2.833   -22.830 1.00 1.59  1   BE 1 
HETATM 3546 C C36   . LIG_BE BE 40 .   ? 9.491   3.576   -23.640 1.00 1.74  1   BE 1 
HETATM 3547 C C37   . LIG_BE BE 40 .   ? 9.619   4.285   -24.466 1.00 1.79  1   BE 1 
HETATM 3548 C C38   . LIG_BE BE 40 .   ? 9.773   5.000   -25.298 1.00 1.53  1   BE 1 
HETATM 3549 C C39   . LIG_BE BE 40 .   ? 9.946   5.705   -26.117 1.00 1.55  1   BE 1 
HETATM 3550 C C40   . LIG_BE BE 40 .   ? 10.143  6.415   -26.893 1.00 1.50  1   BE 1 
HETATM 3551 C C41   . LIG_BE BE 40 .   ? 10.322  7.093   -27.628 1.00 1.34  1   BE 1 
HETATM 3552 C C1    . LIG_DE DE 41 .   ? 12.196  21.934  -3.786  1.00 1.27  1   DE 1 
HETATM 3553 C C2    . LIG_DE DE 41 .   ? 11.447  21.282  -3.051  1.00 1.25  1   DE 1 
HETATM 3554 C C3    . LIG_DE DE 41 .   ? 11.352  20.578  -2.193  1.00 1.24  1   DE 1 
HETATM 3555 C C4    . LIG_DE DE 41 .   ? 10.823  19.823  -1.518  1.00 1.25  1   DE 1 
HETATM 3556 C C5    . LIG_DE DE 41 .   ? 10.825  18.995  -0.732  1.00 1.27  1   DE 1 
HETATM 3557 C C6    . LIG_DE DE 41 .   ? 10.465  18.000  -0.338  1.00 1.27  1   DE 1 
HETATM 3558 C C7    . LIG_DE DE 41 .   ? 10.540  17.024  0.145   1.00 1.24  1   DE 1 
HETATM 3559 C C8    . LIG_DE DE 41 .   ? 10.320  15.959  0.328   1.00 1.29  1   DE 1 
HETATM 3560 C C9    . LIG_DE DE 41 .   ? 10.172  14.925  0.528   1.00 1.32  1   DE 1 
HETATM 3561 C C10   . LIG_DE DE 41 .   ? 10.002  13.852  0.751   1.00 1.36  1   DE 1 
HETATM 3562 C C11   . LIG_DE DE 41 .   ? 9.695   12.808  0.938   1.00 1.40  1   DE 1 
HETATM 3563 C C12   . LIG_DE DE 41 .   ? 9.740   11.757  1.449   1.00 1.45  1   DE 1 
HETATM 3564 C C13   . LIG_DE DE 41 .   ? 9.271   10.720  1.666   1.00 1.39  1   DE 1 
HETATM 3565 C C14   . LIG_DE DE 41 .   ? 9.305   9.757   2.302   1.00 1.41  1   DE 1 
HETATM 3566 C C15   . LIG_DE DE 41 .   ? 8.844   8.740   2.625   1.00 1.38  1   DE 1 
HETATM 3567 C C16   . LIG_DE DE 41 .   ? 9.109   7.891   3.484   1.00 1.42  1   DE 1 
HETATM 3568 C C17   . LIG_DE DE 41 .   ? 8.475   6.816   3.735   1.00 1.25  1   DE 1 
HETATM 3569 C C18   . LIG_DE DE 41 .   ? 8.974   6.034   4.736   1.00 1.32  1   DE 1 
HETATM 3570 O O1    . LIG_DE DE 41 .   ? 9.501   6.472   5.697   1.00 1.48  1   DE 1 
HETATM 3571 O O2    . LIG_DE DE 41 .   ? 8.808   4.848   4.532   1.00 1.50  1   DE 1 
HETATM 3572 C C19   . LIG_DE DE 41 .   ? 9.328   4.047   5.456   1.00 1.25  1   DE 1 
HETATM 3573 C C20   . LIG_DE DE 41 .   ? 9.671   2.740   4.888   1.00 1.29  1   DE 1 
HETATM 3574 C C21   . LIG_DE DE 41 .   ? 10.282  1.901   5.955   1.00 1.29  1   DE 1 
HETATM 3575 O O3    . LIG_DE DE 41 .   ? 9.480   0.832   6.198   1.00 1.42  1   DE 1 
HETATM 3576 P P1    . LIG_DE DE 41 .   ? 9.755   -0.113  7.426   1.00 1.67  1   DE 1 
HETATM 3577 O O4    . LIG_DE DE 41 .   ? 11.102  -0.601  7.236   1.00 1.41  1   DE 1 
HETATM 3578 O O5    . LIG_DE DE 41 .   ? 9.586   0.700   8.585   1.00 1.47  1   DE 1 
HETATM 3579 O O6    . LIG_DE DE 41 .   ? 8.743   -1.132  7.267   1.00 1.72  1   DE 1 
HETATM 3580 O O7    . LIG_DE DE 41 .   ? 10.627  2.905   3.879   1.00 1.34  1   DE 1 
HETATM 3581 C C22   . LIG_DE DE 41 .   ? 10.292  2.529   2.705   1.00 1.38  1   DE 1 
HETATM 3582 O O8    . LIG_DE DE 41 .   ? 9.231   2.022   2.486   1.00 1.34  1   DE 1 
HETATM 3583 C C23   . LIG_DE DE 41 .   ? 11.249  2.765   1.736   1.00 1.28  1   DE 1 
HETATM 3584 C C24   . LIG_DE DE 41 .   ? 10.775  3.273   0.573   1.00 1.38  1   DE 1 
HETATM 3585 C C25   . LIG_DE DE 41 .   ? 10.722  4.574   0.424   1.00 1.42  1   DE 1 
HETATM 3586 C C26   . LIG_DE DE 41 .   ? 10.586  5.116   -0.727  1.00 1.42  1   DE 1 
HETATM 3587 C C27   . LIG_DE DE 41 .   ? 10.405  6.332   -0.921  1.00 1.40  1   DE 1 
HETATM 3588 C C28   . LIG_DE DE 41 .   ? 10.183  6.985   -1.916  1.00 1.32  1   DE 1 
HETATM 3589 C C29   . LIG_DE DE 41 .   ? 9.861   8.041   -2.240  1.00 1.33  1   DE 1 
HETATM 3590 C C30   . LIG_DE DE 41 .   ? 9.544   8.850   -2.966  1.00 1.31  1   DE 1 
HETATM 3591 C C31   . LIG_DE DE 41 .   ? 9.173   9.810   -3.338  1.00 1.27  1   DE 1 
HETATM 3592 C C32   . LIG_DE DE 41 .   ? 8.837   10.713  -3.839  1.00 1.28  1   DE 1 
HETATM 3593 C C33   . LIG_DE DE 41 .   ? 8.524   11.656  -4.162  1.00 1.24  1   DE 1 
HETATM 3594 C C34   . LIG_DE DE 41 .   ? 8.367   12.697  -4.517  1.00 1.26  1   DE 1 
HETATM 3595 C C35   . LIG_DE DE 41 .   ? 8.657   13.725  -4.218  1.00 1.27  1   DE 1 
HETATM 3596 C C36   . LIG_DE DE 41 .   ? 8.754   14.828  -4.540  1.00 1.32  1   DE 1 
HETATM 3597 C C37   . LIG_DE DE 41 .   ? 9.326   15.808  -4.238  1.00 1.39  1   DE 1 
HETATM 3598 C C38   . LIG_DE DE 41 .   ? 9.505   16.900  -4.586  1.00 1.27  1   DE 1 
HETATM 3599 C C39   . LIG_DE DE 41 .   ? 10.289  17.810  -4.371  1.00 1.25  1   DE 1 
HETATM 3600 C C1    . LIG_AF AF 42 .   ? 6.602   15.523  -10.799 1.00 1.82  1   AF 1 
HETATM 3601 C C2    . LIG_AF AF 42 .   ? 7.110   15.935  -10.306 1.00 1.90  1   AF 1 
HETATM 3602 C C3    . LIG_AF AF 42 .   ? 8.016   16.280  -10.477 1.00 1.79  1   AF 1 
HETATM 3603 C C4    . LIG_AF AF 42 .   ? 8.798   16.480  -11.078 1.00 2.03  1   AF 1 
HETATM 3604 C C5    . LIG_AF AF 42 .   ? 9.493   16.752  -11.796 1.00 1.88  1   AF 1 
HETATM 3605 C C6    . LIG_AF AF 42 .   ? 10.049  16.984  -12.617 1.00 1.70  1   AF 1 
HETATM 3606 C C7    . LIG_AF AF 42 .   ? 10.566  17.236  -13.458 1.00 1.64  1   AF 1 
HETATM 3607 C C8    . LIG_AF AF 42 .   ? 10.998  17.546  -14.345 1.00 1.61  1   AF 1 
HETATM 3608 C C9    . LIG_AF AF 42 .   ? 11.273  17.949  -15.237 1.00 1.70  1   AF 1 
HETATM 3609 C C10   . LIG_AF AF 42 .   ? 11.459  18.449  -16.162 1.00 1.77  1   AF 1 
HETATM 3610 C C11   . LIG_AF AF 42 .   ? 11.567  18.997  -17.069 1.00 1.64  1   AF 1 
HETATM 3611 C C12   . LIG_AF AF 42 .   ? 11.673  19.624  -17.932 1.00 1.66  1   AF 1 
HETATM 3612 C C13   . LIG_AF AF 42 .   ? 11.746  20.281  -18.776 1.00 1.40  1   AF 1 
HETATM 3613 C C14   . LIG_AF AF 42 .   ? 11.786  21.063  -19.522 1.00 1.36  1   AF 1 
HETATM 3614 C C15   . LIG_AF AF 42 .   ? 11.874  21.853  -20.235 1.00 1.35  1   AF 1 
HETATM 3615 C C16   . LIG_AF AF 42 .   ? 11.967  22.804  -20.823 1.00 1.31  1   AF 1 
HETATM 3616 C C17   . LIG_AF AF 42 .   ? 12.167  23.610  -21.455 1.00 1.24  1   AF 1 
HETATM 3617 C C18   . LIG_AF AF 42 .   ? 12.243  24.838  -21.754 1.00 1.25  1   AF 1 
HETATM 3618 O O1    . LIG_AF AF 42 .   ? 13.262  25.299  -22.048 1.00 1.64  1   AF 1 
HETATM 3619 O O2    . LIG_AF AF 42 .   ? 11.201  25.434  -21.649 1.00 1.58  1   AF 1 
HETATM 3620 C C19   . LIG_AF AF 42 .   ? 11.281  26.714  -21.714 1.00 1.22  1   AF 1 
HETATM 3621 C C20   . LIG_AF AF 42 .   ? 10.057  27.388  -21.974 1.00 1.23  1   AF 1 
HETATM 3622 C C21   . LIG_AF AF 42 .   ? 10.156  28.749  -21.449 1.00 1.23  1   AF 1 
HETATM 3623 O O3    . LIG_AF AF 42 .   ? 10.078  29.577  -22.425 1.00 1.28  1   AF 1 
HETATM 3624 P P1    . LIG_AF AF 42 .   ? 10.120  31.096  -22.296 1.00 1.25  1   AF 1 
HETATM 3625 O O4    . LIG_AF AF 42 .   ? 8.809   31.550  -22.406 1.00 1.22  1   AF 1 
HETATM 3626 O O5    . LIG_AF AF 42 .   ? 10.834  31.466  -21.187 1.00 1.21  1   AF 1 
HETATM 3627 O O6    . LIG_AF AF 42 .   ? 10.945  31.365  -23.537 1.00 1.24  1   AF 1 
HETATM 3628 C C22   . LIG_AF AF 42 .   ? 10.505  31.418  -24.700 1.00 1.31  1   AF 1 
HETATM 3629 C C23   . LIG_AF AF 42 .   ? 10.179  30.171  -25.206 1.00 1.33  1   AF 1 
HETATM 3630 N N1    . LIG_AF AF 42 .   ? 10.137  30.048  -26.562 1.00 2.07  1   AF 1 
HETATM 3631 C C24   . LIG_AF AF 42 .   ? 11.443  30.155  -27.067 1.00 1.42  1   AF 1 
HETATM 3632 C C25   . LIG_AF AF 42 .   ? 9.605   28.791  -26.801 1.00 1.44  1   AF 1 
HETATM 3633 C C26   . LIG_AF AF 42 .   ? 9.320   31.057  -27.090 1.00 1.49  1   AF 1 
HETATM 3634 O O7    . LIG_AF AF 42 .   ? 9.004   26.793  -21.357 1.00 1.40  1   AF 1 
HETATM 3635 C C27   . LIG_AF AF 42 .   ? 8.064   26.434  -22.103 1.00 1.42  1   AF 1 
HETATM 3636 O O8    . LIG_AF AF 42 .   ? 8.015   26.679  -23.249 1.00 1.43  1   AF 1 
HETATM 3637 C C28   . LIG_AF AF 42 .   ? 7.218   25.692  -21.502 1.00 1.32  1   AF 1 
HETATM 3638 C C29   . LIG_AF AF 42 .   ? 7.240   24.663  -21.069 1.00 1.44  1   AF 1 
HETATM 3639 C C30   . LIG_AF AF 42 .   ? 7.076   23.728  -20.576 1.00 1.41  1   AF 1 
HETATM 3640 C C31   . LIG_AF AF 42 .   ? 7.084   22.764  -20.090 1.00 1.41  1   AF 1 
HETATM 3641 C C32   . LIG_AF AF 42 .   ? 7.015   21.852  -19.548 1.00 1.53  1   AF 1 
HETATM 3642 C C33   . LIG_AF AF 42 .   ? 7.007   20.947  -18.996 1.00 1.50  1   AF 1 
HETATM 3643 C C34   . LIG_AF AF 42 .   ? 6.966   20.057  -18.388 1.00 1.54  1   AF 1 
HETATM 3644 C C35   . LIG_AF AF 42 .   ? 6.917   19.210  -17.750 1.00 1.57  1   AF 1 
HETATM 3645 C C36   . LIG_AF AF 42 .   ? 6.822   18.383  -17.071 1.00 1.69  1   AF 1 
HETATM 3646 C C37   . LIG_AF AF 42 .   ? 6.715   17.593  -16.372 1.00 1.74  1   AF 1 
HETATM 3647 C C38   . LIG_AF AF 42 .   ? 6.581   16.855  -15.609 1.00 1.56  1   AF 1 
HETATM 3648 C C39   . LIG_AF AF 42 .   ? 6.429   16.183  -14.795 1.00 1.64  1   AF 1 
HETATM 3649 C C40   . LIG_AF AF 42 .   ? 6.254   15.628  -13.909 1.00 1.86  1   AF 1 
HETATM 3650 C C41   . LIG_AF AF 42 .   ? 6.058   15.144  -12.988 1.00 1.52  1   AF 1 
HETATM 3651 C C42   . LIG_AF AF 42 .   ? 5.842   14.727  -12.072 1.00 1.49  1   AF 1 
HETATM 3652 C C43   . LIG_AF AF 42 .   ? 5.581   14.272  -11.171 1.00 1.36  1   AF 1 
HETATM 3653 C C44   . LIG_AF AF 42 .   ? 5.233   13.698  -10.258 1.00 1.38  1   AF 1 
HETATM 3654 C C1    . LIG_BF BF 43 .   ? -8.198  9.300   -30.977 1.00 1.46  1   BF 1 
HETATM 3655 C C2    . LIG_BF BF 43 .   ? -9.054  8.685   -30.517 1.00 1.51  1   BF 1 
HETATM 3656 C C3    . LIG_BF BF 43 .   ? -9.587  7.951   -29.947 1.00 1.46  1   BF 1 
HETATM 3657 C C4    . LIG_BF BF 43 .   ? -10.023 7.202   -29.308 1.00 1.44  1   BF 1 
HETATM 3658 C C5    . LIG_BF BF 43 .   ? -10.233 6.392   -28.621 1.00 1.45  1   BF 1 
HETATM 3659 C C6    . LIG_BF BF 43 .   ? -10.244 5.579   -27.897 1.00 1.41  1   BF 1 
HETATM 3660 C C7    . LIG_BF BF 43 .   ? -10.040 4.743   -27.255 1.00 1.31  1   BF 1 
HETATM 3661 C C8    . LIG_BF BF 43 .   ? -9.894  3.921   -26.594 1.00 1.38  1   BF 1 
HETATM 3662 C C9    . LIG_BF BF 43 .   ? -9.619  3.062   -26.006 1.00 1.41  1   BF 1 
HETATM 3663 C C10   . LIG_BF BF 43 .   ? -9.493  2.175   -25.370 1.00 1.43  1   BF 1 
HETATM 3664 C C11   . LIG_BF BF 43 .   ? -9.286  1.261   -24.800 1.00 1.44  1   BF 1 
HETATM 3665 C C12   . LIG_BF BF 43 .   ? -9.499  0.398   -24.090 1.00 1.57  1   BF 1 
HETATM 3666 C C13   . LIG_BF BF 43 .   ? -9.276  -0.577  -23.504 1.00 1.42  1   BF 1 
HETATM 3667 C C14   . LIG_BF BF 43 .   ? -9.850  -1.316  -22.740 1.00 1.46  1   BF 1 
HETATM 3668 C C15   . LIG_BF BF 43 .   ? -9.793  -2.174  -22.009 1.00 1.44  1   BF 1 
HETATM 3669 C C16   . LIG_BF BF 43 .   ? -10.470 -2.841  -21.241 1.00 1.44  1   BF 1 
HETATM 3670 C C17   . LIG_BF BF 43 .   ? -10.235 -3.643  -20.394 1.00 1.34  1   BF 1 
HETATM 3671 C C18   . LIG_BF BF 43 .   ? -11.075 -4.329  -19.664 1.00 1.36  1   BF 1 
HETATM 3672 O O1    . LIG_BF BF 43 .   ? -12.232 -4.406  -19.969 1.00 1.56  1   BF 1 
HETATM 3673 O O2    . LIG_BF BF 43 .   ? -10.592 -4.860  -18.692 1.00 1.58  1   BF 1 
HETATM 3674 C C19   . LIG_BF BF 43 .   ? -11.458 -5.551  -17.959 1.00 1.32  1   BF 1 
HETATM 3675 C C20   . LIG_BF BF 43 .   ? -10.824 -6.117  -16.793 1.00 1.41  1   BF 1 
HETATM 3676 C C21   . LIG_BF BF 43 .   ? -11.807 -6.938  -16.024 1.00 1.40  1   BF 1 
HETATM 3677 O O3    . LIG_BF BF 43 .   ? -12.334 -7.910  -16.791 1.00 1.32  1   BF 1 
HETATM 3678 P P1    . LIG_BF BF 43 .   ? -13.548 -8.769  -16.315 1.00 1.35  1   BF 1 
HETATM 3679 O O4    . LIG_BF BF 43 .   ? -13.160 -10.134 -16.379 1.00 1.17  1   BF 1 
HETATM 3680 O O5    . LIG_BF BF 43 .   ? -14.071 -8.265  -15.091 1.00 1.21  1   BF 1 
HETATM 3681 O O6    . LIG_BF BF 43 .   ? -14.585 -8.460  -17.403 1.00 1.25  1   BF 1 
HETATM 3682 C C22   . LIG_BF BF 43 .   ? -14.410 -8.622  -18.628 1.00 1.24  1   BF 1 
HETATM 3683 C C23   . LIG_BF BF 43 .   ? -15.585 -8.420  -19.309 1.00 1.21  1   BF 1 
HETATM 3684 N N1    . LIG_BF BF 43 .   ? -16.664 -8.990  -18.887 1.00 1.80  1   BF 1 
HETATM 3685 O O7    . LIG_BF BF 43 .   ? -10.431 -5.070  -15.967 1.00 1.35  1   BF 1 
HETATM 3686 C C24   . LIG_BF BF 43 .   ? -9.230  -5.069  -15.570 1.00 1.44  1   BF 1 
HETATM 3687 O O8    . LIG_BF BF 43 .   ? -8.431  -5.879  -15.910 1.00 1.39  1   BF 1 
HETATM 3688 C C25   . LIG_BF BF 43 .   ? -8.943  -4.005  -14.732 1.00 1.41  1   BF 1 
HETATM 3689 C C26   . LIG_BF BF 43 .   ? -8.068  -3.116  -15.240 1.00 1.54  1   BF 1 
HETATM 3690 C C27   . LIG_BF BF 43 .   ? -8.418  -1.864  -15.247 1.00 1.59  1   BF 1 
HETATM 3691 C C28   . LIG_BF BF 43 .   ? -8.022  -1.022  -16.079 1.00 1.42  1   BF 1 
HETATM 3692 C C29   . LIG_BF BF 43 .   ? -8.183  0.116   -16.303 1.00 1.49  1   BF 1 
HETATM 3693 C C30   . LIG_BF BF 43 .   ? -7.914  0.986   -17.012 1.00 1.44  1   BF 1 
HETATM 3694 C C31   . LIG_BF BF 43 .   ? -7.959  2.089   -17.350 1.00 1.42  1   BF 1 
HETATM 3695 C C32   . LIG_BF BF 43 .   ? -7.668  2.920   -18.037 1.00 1.45  1   BF 1 
HETATM 3696 C C33   . LIG_BF BF 43 .   ? -7.580  3.947   -18.468 1.00 1.44  1   BF 1 
HETATM 3697 C C34   . LIG_BF BF 43 .   ? -7.240  4.755   -19.184 1.00 1.44  1   BF 1 
HETATM 3698 C C35   . LIG_BF BF 43 .   ? -7.215  5.835   -19.583 1.00 1.42  1   BF 1 
HETATM 3699 C C36   . LIG_BF BF 43 .   ? -6.853  6.570   -20.383 1.00 1.47  1   BF 1 
HETATM 3700 C C37   . LIG_BF BF 43 .   ? -6.930  7.665   -20.766 1.00 1.57  1   BF 1 
HETATM 3701 C C38   . LIG_BF BF 43 .   ? -7.215  8.709   -20.367 1.00 1.47  1   BF 1 
HETATM 3702 C C39   . LIG_BF BF 43 .   ? -7.273  9.844   -20.678 1.00 1.42  1   BF 1 
HETATM 3703 C C40   . LIG_BF BF 43 .   ? -7.459  10.913  -20.453 1.00 1.39  1   BF 1 
HETATM 3704 C C41   . LIG_BF BF 43 .   ? -7.478  12.064  -20.814 1.00 1.36  1   BF 1 
HETATM 3705 C C1    . LIG_DF DF 44 .   ? -13.506 5.087   -34.222 1.00 1.76  1   DF 1 
HETATM 3706 C C2    . LIG_DF DF 44 .   ? -14.668 4.623   -34.335 1.00 1.65  1   DF 1 
HETATM 3707 C C3    . LIG_DF DF 44 .   ? -15.280 4.038   -33.589 1.00 1.61  1   DF 1 
HETATM 3708 C C4    . LIG_DF DF 44 .   ? -15.400 3.496   -32.679 1.00 1.52  1   DF 1 
HETATM 3709 C C5    . LIG_DF DF 44 .   ? -15.353 3.036   -31.644 1.00 1.58  1   DF 1 
HETATM 3710 C C6    . LIG_DF DF 44 .   ? -14.544 2.573   -31.028 1.00 1.46  1   DF 1 
HETATM 3711 C C7    . LIG_DF DF 44 .   ? -13.644 2.235   -30.563 1.00 1.37  1   DF 1 
HETATM 3712 C C8    . LIG_DF DF 44 .   ? -12.723 1.755   -30.227 1.00 1.46  1   DF 1 
HETATM 3713 C C9    . LIG_DF DF 44 .   ? -11.829 1.240   -29.978 1.00 1.45  1   DF 1 
HETATM 3714 C C10   . LIG_DF DF 44 .   ? -11.010 0.549   -29.756 1.00 1.49  1   DF 1 
HETATM 3715 C C11   . LIG_DF DF 44 .   ? -10.276 -0.232  -29.614 1.00 1.43  1   DF 1 
HETATM 3716 C C12   . LIG_DF DF 44 .   ? -9.701  -1.132  -29.381 1.00 1.44  1   DF 1 
HETATM 3717 C C13   . LIG_DF DF 44 .   ? -9.111  -2.096  -29.320 1.00 1.33  1   DF 1 
HETATM 3718 C C14   . LIG_DF DF 44 .   ? -9.088  -3.191  -28.941 1.00 1.35  1   DF 1 
HETATM 3719 C C15   . LIG_DF DF 44 .   ? -8.661  -4.248  -28.894 1.00 1.36  1   DF 1 
HETATM 3720 C C16   . LIG_DF DF 44 .   ? -8.970  -5.324  -28.364 1.00 1.40  1   DF 1 
HETATM 3721 C C17   . LIG_DF DF 44 .   ? -8.405  -6.333  -28.364 1.00 1.25  1   DF 1 
HETATM 3722 C C18   . LIG_DF DF 44 .   ? -8.640  -7.494  -27.826 1.00 1.25  1   DF 1 
HETATM 3723 O O1    . LIG_DF DF 44 .   ? -9.680  -8.025  -27.739 1.00 1.44  1   DF 1 
HETATM 3724 O O2    . LIG_DF DF 44 .   ? -7.581  -7.932  -27.412 1.00 1.36  1   DF 1 
HETATM 3725 C C19   . LIG_DF DF 44 .   ? -7.618  -9.150  -26.928 1.00 1.19  1   DF 1 
HETATM 3726 C C20   . LIG_DF DF 44 .   ? -6.727  -10.059 -27.649 1.00 1.18  1   DF 1 
HETATM 3727 C C21   . LIG_DF DF 44 .   ? -6.365  -11.177 -26.760 1.00 1.17  1   DF 1 
HETATM 3728 O O3    . LIG_DF DF 44 .   ? -7.281  -12.168 -26.857 1.00 1.20  1   DF 1 
HETATM 3729 P P1    . LIG_DF DF 44 .   ? -7.076  -13.519 -26.114 1.00 1.23  1   DF 1 
HETATM 3730 O O4    . LIG_DF DF 44 .   ? -7.964  -14.421 -26.819 1.00 1.19  1   DF 1 
HETATM 3731 O O5    . LIG_DF DF 44 .   ? -7.487  -13.274 -24.763 1.00 1.18  1   DF 1 
HETATM 3732 O O6    . LIG_DF DF 44 .   ? -5.700  -13.834 -26.280 1.00 1.23  1   DF 1 
HETATM 3733 O O7    . LIG_DF DF 44 .   ? -5.533  -9.411  -27.971 1.00 1.24  1   DF 1 
HETATM 3734 C C22   . LIG_DF DF 44 .   ? -5.192  -9.462  -29.186 1.00 1.27  1   DF 1 
HETATM 3735 O O8    . LIG_DF DF 44 .   ? -5.860  -10.007 -30.010 1.00 1.28  1   DF 1 
HETATM 3736 C C23   . LIG_DF DF 44 .   ? -4.018  -8.803  -29.472 1.00 1.24  1   DF 1 
HETATM 3737 C C24   . LIG_DF DF 44 .   ? -4.171  -7.628  -30.061 1.00 1.35  1   DF 1 
HETATM 3738 C C25   . LIG_DF DF 44 .   ? -3.112  -6.898  -30.266 1.00 1.38  1   DF 1 
HETATM 3739 C C26   . LIG_DF DF 44 .   ? -3.242  -5.732  -30.741 1.00 1.37  1   DF 1 
HETATM 3740 C C27   . LIG_DF DF 44 .   ? -2.343  -4.871  -30.895 1.00 1.36  1   DF 1 
HETATM 3741 C C28   . LIG_DF DF 44 .   ? -2.438  -3.740  -31.204 1.00 1.30  1   DF 1 
HETATM 3742 C C29   . LIG_DF DF 44 .   ? -2.203  -2.668  -31.325 1.00 1.33  1   DF 1 
HETATM 3743 C C30   . LIG_DF DF 44 .   ? -2.502  -1.604  -31.455 1.00 1.33  1   DF 1 
HETATM 3744 C C31   . LIG_DF DF 44 .   ? -2.848  -0.584  -31.463 1.00 1.30  1   DF 1 
HETATM 3745 C C32   . LIG_DF DF 44 .   ? -3.383  0.354   -31.443 1.00 1.39  1   DF 1 
HETATM 3746 C C33   . LIG_DF DF 44 .   ? -3.987  1.234   -31.378 1.00 1.33  1   DF 1 
HETATM 3747 C C34   . LIG_DF DF 44 .   ? -4.780  1.993   -31.306 1.00 1.41  1   DF 1 
HETATM 3748 C C35   . LIG_DF DF 44 .   ? -5.621  2.601   -31.342 1.00 1.42  1   DF 1 
HETATM 3749 C C36   . LIG_DF DF 44 .   ? -6.513  3.317   -31.341 1.00 1.48  1   DF 1 
HETATM 3750 C C37   . LIG_DF DF 44 .   ? -7.100  3.927   -32.179 1.00 1.52  1   DF 1 
HETATM 3751 C C38   . LIG_DF DF 44 .   ? -7.969  4.725   -32.298 1.00 1.45  1   DF 1 
HETATM 3752 C C39   . LIG_DF DF 44 .   ? -8.469  5.327   -33.295 1.00 1.50  1   DF 1 
HETATM 3753 C C1    . LIG_AG AG 45 .   ? 8.370   12.416  -19.007 1.00 1.75  1   AG 1 
HETATM 3754 C C2    . LIG_AG AG 45 .   ? 7.800   12.370  -18.388 1.00 2.00  1   AG 1 
HETATM 3755 C C3    . LIG_AG AG 45 .   ? 7.240   11.786  -17.681 1.00 1.84  1   AG 1 
HETATM 3756 C C4    . LIG_AG AG 45 .   ? 6.757   11.072  -17.084 1.00 2.05  1   AG 1 
HETATM 3757 C C5    . LIG_AG AG 45 .   ? 6.337   10.252  -16.526 1.00 1.89  1   AG 1 
HETATM 3758 C C6    . LIG_AG AG 45 .   ? 5.986   9.369   -16.021 1.00 1.78  1   AG 1 
HETATM 3759 C C7    . LIG_AG AG 45 .   ? 5.702   8.460   -15.532 1.00 1.76  1   AG 1 
HETATM 3760 C C8    . LIG_AG AG 45 .   ? 5.476   7.508   -15.060 1.00 1.72  1   AG 1 
HETATM 3761 C C9    . LIG_AG AG 45 .   ? 5.278   6.558   -14.614 1.00 1.84  1   AG 1 
HETATM 3762 C C10   . LIG_AG AG 45 .   ? 5.091   5.555   -14.130 1.00 1.92  1   AG 1 
HETATM 3763 C C11   . LIG_AG AG 45 .   ? 4.923   4.575   -13.660 1.00 1.83  1   AG 1 
HETATM 3764 C C12   . LIG_AG AG 45 .   ? 4.805   3.581   -13.160 1.00 1.95  1   AG 1 
HETATM 3765 C C13   . LIG_AG AG 45 .   ? 4.688   2.595   -12.672 1.00 1.65  1   AG 1 
HETATM 3766 C C14   . LIG_AG AG 45 .   ? 4.646   1.617   -12.122 1.00 1.62  1   AG 1 
HETATM 3767 C C15   . LIG_AG AG 45 .   ? 4.573   0.657   -11.636 1.00 1.63  1   AG 1 
HETATM 3768 C C16   . LIG_AG AG 45 .   ? 4.602   -0.307  -11.011 1.00 1.64  1   AG 1 
HETATM 3769 C C17   . LIG_AG AG 45 .   ? 4.522   -1.274  -10.603 1.00 1.45  1   AG 1 
HETATM 3770 C C18   . LIG_AG AG 45 .   ? 4.818   -2.177  -9.756  1.00 1.63  1   AG 1 
HETATM 3771 O O1    . LIG_AG AG 45 .   ? 4.218   -2.280  -8.765  1.00 2.40  1   AG 1 
HETATM 3772 O O2    . LIG_AG AG 45 .   ? 5.781   -2.858  -10.066 1.00 2.02  1   AG 1 
HETATM 3773 C C19   . LIG_AG AG 45 .   ? 6.176   -3.745  -9.193  1.00 1.63  1   AG 1 
HETATM 3774 C C20   . LIG_AG AG 45 .   ? 7.529   -4.192  -9.418  1.00 1.64  1   AG 1 
HETATM 3775 C C21   . LIG_AG AG 45 .   ? 7.962   -5.034  -8.299  1.00 1.67  1   AG 1 
HETATM 3776 O O3    . LIG_AG AG 45 .   ? 7.531   -6.266  -8.467  1.00 1.52  1   AG 1 
HETATM 3777 P P1    . LIG_AG AG 45 .   ? 7.701   -7.296  -7.361  1.00 1.56  1   AG 1 
HETATM 3778 O O4    . LIG_AG AG 45 .   ? 8.612   -6.843  -6.386  1.00 1.35  1   AG 1 
HETATM 3779 O O5    . LIG_AG AG 45 .   ? 7.836   -8.567  -7.963  1.00 1.43  1   AG 1 
HETATM 3780 O O6    . LIG_AG AG 45 .   ? 6.265   -7.206  -6.792  1.00 1.54  1   AG 1 
HETATM 3781 C C22   . LIG_AG AG 45 .   ? 5.934   -7.327  -5.590  1.00 1.88  1   AG 1 
HETATM 3782 C C23   . LIG_AG AG 45 .   ? 4.578   -7.304  -5.442  1.00 1.78  1   AG 1 
HETATM 3783 N N1    . LIG_AG AG 45 .   ? 3.789   -7.983  -6.352  1.00 2.82  1   AG 1 
HETATM 3784 C C24   . LIG_AG AG 45 .   ? 4.257   -9.330  -6.504  1.00 1.88  1   AG 1 
HETATM 3785 C C25   . LIG_AG AG 45 .   ? 2.493   -8.018  -5.890  1.00 1.88  1   AG 1 
HETATM 3786 C C26   . LIG_AG AG 45 .   ? 3.821   -7.282  -7.579  1.00 1.85  1   AG 1 
HETATM 3787 O O7    . LIG_AG AG 45 .   ? 8.370   -3.092  -9.430  1.00 1.74  1   AG 1 
HETATM 3788 C C27   . LIG_AG AG 45 .   ? 9.108   -2.960  -10.429 1.00 1.68  1   AG 1 
HETATM 3789 O O8    . LIG_AG AG 45 .   ? 9.267   -3.846  -11.203 1.00 1.74  1   AG 1 
HETATM 3790 C C28   . LIG_AG AG 45 .   ? 9.619   -1.769  -10.563 1.00 1.61  1   AG 1 
HETATM 3791 C C29   . LIG_AG AG 45 .   ? 9.592   -0.902  -11.281 1.00 1.69  1   AG 1 
HETATM 3792 C C30   . LIG_AG AG 45 .   ? 9.686   0.092   -11.804 1.00 1.68  1   AG 1 
HETATM 3793 C C31   . LIG_AG AG 45 .   ? 9.655   1.005   -12.447 1.00 1.59  1   AG 1 
HETATM 3794 C C32   . LIG_AG AG 45 .   ? 9.660   1.955   -13.038 1.00 1.76  1   AG 1 
HETATM 3795 C C33   . LIG_AG AG 45 .   ? 9.611   2.868   -13.691 1.00 1.69  1   AG 1 
HETATM 3796 C C34   . LIG_AG AG 45 .   ? 9.607   3.778   -14.354 1.00 1.74  1   AG 1 
HETATM 3797 C C35   . LIG_AG AG 45 .   ? 9.616   4.667   -15.043 1.00 1.64  1   AG 1 
HETATM 3798 C C36   . LIG_AG AG 45 .   ? 9.652   5.548   -15.751 1.00 1.77  1   AG 1 
HETATM 3799 C C37   . LIG_AG AG 45 .   ? 9.702   6.440   -16.460 1.00 1.78  1   AG 1 
HETATM 3800 C C38   . LIG_AG AG 45 .   ? 9.750   7.329   -17.156 1.00 1.63  1   AG 1 
HETATM 3801 C C39   . LIG_AG AG 45 .   ? 9.791   8.246   -17.841 1.00 1.70  1   AG 1 
HETATM 3802 C C40   . LIG_AG AG 45 .   ? 9.782   9.181   -18.467 1.00 1.82  1   AG 1 
HETATM 3803 C C41   . LIG_AG AG 45 .   ? 9.743   10.141  -19.060 1.00 1.51  1   AG 1 
HETATM 3804 C C42   . LIG_AG AG 45 .   ? 9.673   11.089  -19.565 1.00 1.55  1   AG 1 
HETATM 3805 C C43   . LIG_AG AG 45 .   ? 9.601   12.032  -20.049 1.00 1.37  1   AG 1 
HETATM 3806 C C44   . LIG_AG AG 45 .   ? 9.551   13.065  -20.603 1.00 1.42  1   AG 1 
HETATM 3807 C C1    . LIG_BG BG 46 .   ? -16.385 14.827  -11.629 1.00 1.36  1   BG 1 
HETATM 3808 C C2    . LIG_BG BG 46 .   ? -16.277 13.961  -10.841 1.00 1.38  1   BG 1 
HETATM 3809 C C3    . LIG_BG BG 46 .   ? -16.193 13.194  -10.113 1.00 1.46  1   BG 1 
HETATM 3810 C C4    . LIG_BG BG 46 .   ? -16.104 12.382  -9.345  1.00 1.45  1   BG 1 
HETATM 3811 C C5    . LIG_BG BG 46 .   ? -16.061 11.588  -8.623  1.00 1.52  1   BG 1 
HETATM 3812 C C6    . LIG_BG BG 46 .   ? -16.020 10.756  -7.931  1.00 1.39  1   BG 1 
HETATM 3813 C C7    . LIG_BG BG 46 .   ? -16.031 9.892   -7.301  1.00 1.41  1   BG 1 
HETATM 3814 C C8    . LIG_BG BG 46 .   ? -16.094 9.017   -6.722  1.00 1.55  1   BG 1 
HETATM 3815 C C9    . LIG_BG BG 46 .   ? -16.187 8.124   -6.187  1.00 1.56  1   BG 1 
HETATM 3816 C C10   . LIG_BG BG 46 .   ? -16.266 7.197   -5.656  1.00 1.70  1   BG 1 
HETATM 3817 C C11   . LIG_BG BG 46 .   ? -16.331 6.263   -5.166  1.00 1.81  1   BG 1 
HETATM 3818 C C12   . LIG_BG BG 46 .   ? -16.328 5.316   -4.651  1.00 2.36  1   BG 1 
HETATM 3819 C C13   . LIG_BG BG 46 .   ? -16.249 4.365   -4.186  1.00 2.14  1   BG 1 
HETATM 3820 C C14   . LIG_BG BG 46 .   ? -16.015 3.459   -3.627  1.00 2.54  1   BG 1 
HETATM 3821 C C15   . LIG_BG BG 46 .   ? -15.827 2.512   -3.223  1.00 2.58  1   BG 1 
HETATM 3822 C C16   . LIG_BG BG 46 .   ? -15.457 1.629   -2.570  1.00 2.89  1   BG 1 
HETATM 3823 C C17   . LIG_BG BG 46 .   ? -15.422 0.465   -2.685  1.00 2.52  1   BG 1 
HETATM 3824 C C18   . LIG_BG BG 46 .   ? -14.939 -0.387  -1.825  1.00 2.71  1   BG 1 
HETATM 3825 O O1    . LIG_BG BG 46 .   ? -15.176 -0.355  -0.676  1.00 3.35  1   BG 1 
HETATM 3826 O O2    . LIG_BG BG 46 .   ? -14.194 -1.180  -2.372  1.00 3.18  1   BG 1 
HETATM 3827 C C19   . LIG_BG BG 46 .   ? -13.789 -2.179  -1.590  1.00 2.31  1   BG 1 
HETATM 3828 C C20   . LIG_BG BG 46 .   ? -12.619 -2.831  -2.137  1.00 3.72  1   BG 1 
HETATM 3829 C C21   . LIG_BG BG 46 .   ? -12.151 -3.916  -1.229  1.00 3.41  1   BG 1 
HETATM 3830 O O3    . LIG_BG BG 46 .   ? -13.163 -4.267  -0.383  1.00 4.04  1   BG 1 
HETATM 3831 P P1    . LIG_BG BG 46 .   ? -12.896 -5.091  0.906   1.00 5.04  1   BG 1 
HETATM 3832 O O4    . LIG_BG BG 46 .   ? -14.095 -5.820  1.194   1.00 3.85  1   BG 1 
HETATM 3833 O O5    . LIG_BG BG 46 .   ? -11.657 -5.803  0.802   1.00 4.74  1   BG 1 
HETATM 3834 O O6    . LIG_BG BG 46 .   ? -12.687 -3.974  1.943   1.00 4.16  1   BG 1 
HETATM 3835 C C22   . LIG_BG BG 46 .   ? -13.608 -3.326  2.467   1.00 4.49  1   BG 1 
HETATM 3836 C C23   . LIG_BG BG 46 .   ? -13.144 -2.386  3.329   1.00 3.85  1   BG 1 
HETATM 3837 N N1    . LIG_BG BG 46 .   ? -13.328 -1.214  3.039   1.00 7.00  1   BG 1 
HETATM 3838 O O7    . LIG_BG BG 46 .   ? -11.583 -1.904  -2.331  1.00 3.28  1   BG 1 
HETATM 3839 C C24   . LIG_BG BG 46 .   ? -11.059 -1.271  -1.355  1.00 3.07  1   BG 1 
HETATM 3840 O O8    . LIG_BG BG 46 .   ? -11.211 -1.488  -0.207  1.00 2.80  1   BG 1 
HETATM 3841 C C25   . LIG_BG BG 46 .   ? -10.261 -0.227  -1.798  1.00 2.75  1   BG 1 
HETATM 3842 C C26   . LIG_BG BG 46 .   ? -10.479 0.920   -1.134  1.00 3.26  1   BG 1 
HETATM 3843 C C27   . LIG_BG BG 46 .   ? -10.926 1.938   -1.773  1.00 3.20  1   BG 1 
HETATM 3844 C C28   . LIG_BG BG 46 .   ? -11.587 2.882   -1.347  1.00 2.38  1   BG 1 
HETATM 3845 C C29   . LIG_BG BG 46 .   ? -11.979 3.912   -1.687  1.00 2.45  1   BG 1 
HETATM 3846 C C30   . LIG_BG BG 46 .   ? -12.549 4.873   -1.501  1.00 2.02  1   BG 1 
HETATM 3847 C C31   . LIG_BG BG 46 .   ? -12.783 5.951   -1.719  1.00 1.85  1   BG 1 
HETATM 3848 C C32   . LIG_BG BG 46 .   ? -12.983 6.991   -1.729  1.00 1.81  1   BG 1 
HETATM 3849 C C33   . LIG_BG BG 46 .   ? -12.964 8.065   -1.817  1.00 1.69  1   BG 1 
HETATM 3850 C C34   . LIG_BG BG 46 .   ? -12.785 9.096   -1.750  1.00 1.65  1   BG 1 
HETATM 3851 C C35   . LIG_BG BG 46 .   ? -12.406 10.112  -1.581  1.00 1.62  1   BG 1 
HETATM 3852 C C36   . LIG_BG BG 46 .   ? -11.851 10.904  -1.114  1.00 1.68  1   BG 1 
HETATM 3853 C C37   . LIG_BG BG 46 .   ? -11.361 11.927  -0.938  1.00 1.60  1   BG 1 
HETATM 3854 C C38   . LIG_BG BG 46 .   ? -10.710 12.604  -0.331  1.00 1.49  1   BG 1 
HETATM 3855 C C39   . LIG_BG BG 46 .   ? -10.189 13.594  -0.173  1.00 1.37  1   BG 1 
HETATM 3856 C C40   . LIG_BG BG 46 .   ? -9.755  14.498  -0.028  1.00 1.40  1   BG 1 
HETATM 3857 C C41   . LIG_BG BG 46 .   ? -9.246  15.556  0.049   1.00 1.40  1   BG 1 
HETATM 3858 C C1    . LIG_DG DG 47 .   ? 14.565  10.783  -31.394 1.00 1.38  1   DG 1 
HETATM 3859 C C2    . LIG_DG DG 47 .   ? 14.459  11.374  -30.315 1.00 1.41  1   DG 1 
HETATM 3860 C C3    . LIG_DG DG 47 .   ? 14.197  11.043  -29.207 1.00 1.42  1   DG 1 
HETATM 3861 C C4    . LIG_DG DG 47 .   ? 14.070  11.590  -28.186 1.00 1.36  1   DG 1 
HETATM 3862 C C5    . LIG_DG DG 47 .   ? 13.825  11.408  -27.050 1.00 1.40  1   DG 1 
HETATM 3863 C C6    . LIG_DG DG 47 .   ? 13.731  12.162  -26.177 1.00 1.31  1   DG 1 
HETATM 3864 C C7    . LIG_DG DG 47 .   ? 13.470  13.132  -25.914 1.00 1.29  1   DG 1 
HETATM 3865 C C8    . LIG_DG DG 47 .   ? 13.389  14.122  -25.481 1.00 1.35  1   DG 1 
HETATM 3866 C C9    . LIG_DG DG 47 .   ? 13.292  15.145  -25.299 1.00 1.37  1   DG 1 
HETATM 3867 C C10   . LIG_DG DG 47 .   ? 13.320  16.184  -25.059 1.00 1.37  1   DG 1 
HETATM 3868 C C11   . LIG_DG DG 47 .   ? 13.420  17.193  -24.988 1.00 1.37  1   DG 1 
HETATM 3869 C C12   . LIG_DG DG 47 .   ? 13.856  18.155  -24.723 1.00 1.46  1   DG 1 
HETATM 3870 C C13   . LIG_DG DG 47 .   ? 13.902  19.247  -24.924 1.00 1.35  1   DG 1 
HETATM 3871 C C14   . LIG_DG DG 47 .   ? 14.580  20.198  -24.635 1.00 1.38  1   DG 1 
HETATM 3872 C C15   . LIG_DG DG 47 .   ? 14.566  21.279  -25.162 1.00 1.37  1   DG 1 
HETATM 3873 C C16   . LIG_DG DG 47 .   ? 15.474  22.180  -25.015 1.00 1.39  1   DG 1 
HETATM 3874 C C17   . LIG_DG DG 47 .   ? 15.703  22.955  -26.054 1.00 1.23  1   DG 1 
HETATM 3875 C C18   . LIG_DG DG 47 .   ? 14.967  24.068  -26.135 1.00 1.21  1   DG 1 
HETATM 3876 O O1    . LIG_DG DG 47 .   ? 14.841  24.788  -25.204 1.00 1.39  1   DG 1 
HETATM 3877 O O2    . LIG_DG DG 47 .   ? 14.442  24.240  -27.224 1.00 1.38  1   DG 1 
HETATM 3878 C C19   . LIG_DG DG 47 .   ? 13.920  25.426  -27.436 1.00 1.18  1   DG 1 
HETATM 3879 C C20   . LIG_DG DG 47 .   ? 12.530  25.352  -27.904 1.00 1.17  1   DG 1 
HETATM 3880 C C21   . LIG_DG DG 47 .   ? 12.194  26.550  -28.690 1.00 1.17  1   DG 1 
HETATM 3881 O O3    . LIG_DG DG 47 .   ? 12.917  26.535  -29.818 1.00 1.20  1   DG 1 
HETATM 3882 P P1    . LIG_DG DG 47 .   ? 12.689  27.544  -30.984 1.00 1.32  1   DG 1 
HETATM 3883 O O4    . LIG_DG DG 47 .   ? 11.454  27.115  -31.552 1.00 1.24  1   DG 1 
HETATM 3884 O O5    . LIG_DG DG 47 .   ? 13.819  27.361  -31.801 1.00 1.22  1   DG 1 
HETATM 3885 O O6    . LIG_DG DG 47 .   ? 12.589  28.827  -30.378 1.00 1.31  1   DG 1 
HETATM 3886 O O7    . LIG_DG DG 47 .   ? 11.720  25.315  -26.791 1.00 1.24  1   DG 1 
HETATM 3887 C C22   . LIG_DG DG 47 .   ? 10.829  24.471  -26.845 1.00 1.29  1   DG 1 
HETATM 3888 O O8    . LIG_DG DG 47 .   ? 10.644  23.826  -27.829 1.00 1.29  1   DG 1 
HETATM 3889 C C23   . LIG_DG DG 47 .   ? 10.134  24.250  -25.704 1.00 1.25  1   DG 1 
HETATM 3890 C C24   . LIG_DG DG 47 .   ? 10.147  22.984  -25.448 1.00 1.40  1   DG 1 
HETATM 3891 C C25   . LIG_DG DG 47 .   ? 9.550   22.453  -24.530 1.00 1.43  1   DG 1 
HETATM 3892 C C26   . LIG_DG DG 47 .   ? 9.685   21.229  -24.320 1.00 1.51  1   DG 1 
HETATM 3893 C C27   . LIG_DG DG 47 .   ? 9.149   20.605  -23.456 1.00 1.46  1   DG 1 
HETATM 3894 C C28   . LIG_DG DG 47 .   ? 9.254   19.464  -23.200 1.00 1.34  1   DG 1 
HETATM 3895 C C29   . LIG_DG DG 47 .   ? 8.845   18.729  -22.519 1.00 1.35  1   DG 1 
HETATM 3896 C C30   . LIG_DG DG 47 .   ? 8.548   17.871  -22.104 1.00 1.38  1   DG 1 
HETATM 3897 C C31   . LIG_DG DG 47 .   ? 7.990   17.179  -21.591 1.00 1.36  1   DG 1 
HETATM 3898 C C32   . LIG_DG DG 47 .   ? 7.325   16.566  -21.198 1.00 1.40  1   DG 1 
HETATM 3899 C C33   . LIG_DG DG 47 .   ? 6.603   16.048  -20.695 1.00 1.35  1   DG 1 
HETATM 3900 C C34   . LIG_DG DG 47 .   ? 5.895   15.569  -20.204 1.00 1.42  1   DG 1 
HETATM 3901 C C35   . LIG_DG DG 47 .   ? 5.213   15.186  -19.483 1.00 1.44  1   DG 1 
HETATM 3902 C C36   . LIG_DG DG 47 .   ? 4.891   14.295  -18.958 1.00 1.55  1   DG 1 
HETATM 3903 C C37   . LIG_DG DG 47 .   ? 4.152   13.826  -18.213 1.00 1.59  1   DG 1 
HETATM 3904 C C38   . LIG_DG DG 47 .   ? 3.849   12.726  -17.939 1.00 1.40  1   DG 1 
HETATM 3905 C C39   . LIG_DG DG 47 .   ? 2.947   12.201  -17.326 1.00 1.43  1   DG 1 
HETATM 3906 C C1    . LIG_BH BH 48 .   ? -5.860  18.892  -2.654  1.00 1.33  1   BH 1 
HETATM 3907 C C2    . LIG_BH BH 48 .   ? -5.850  17.691  -2.823  1.00 1.31  1   BH 1 
HETATM 3908 C C3    . LIG_BH BH 48 .   ? -5.596  16.673  -2.364  1.00 1.33  1   BH 1 
HETATM 3909 C C4    . LIG_BH BH 48 .   ? -5.529  15.539  -2.420  1.00 1.33  1   BH 1 
HETATM 3910 C C5    . LIG_BH BH 48 .   ? -5.333  14.525  -1.952  1.00 1.39  1   BH 1 
HETATM 3911 C C6    . LIG_BH BH 48 .   ? -5.171  13.445  -1.870  1.00 1.41  1   BH 1 
HETATM 3912 C C7    . LIG_BH BH 48 .   ? -4.988  12.486  -1.387  1.00 1.38  1   BH 1 
HETATM 3913 C C8    . LIG_BH BH 48 .   ? -4.747  11.485  -1.085  1.00 1.51  1   BH 1 
HETATM 3914 C C9    . LIG_BH BH 48 .   ? -4.587  10.532  -0.648  1.00 1.56  1   BH 1 
HETATM 3915 C C10   . LIG_BH BH 48 .   ? -4.297  9.520   -0.307  1.00 1.71  1   BH 1 
HETATM 3916 C C11   . LIG_BH BH 48 .   ? -4.211  8.503   0.071   1.00 1.88  1   BH 1 
HETATM 3917 C C12   . LIG_BH BH 48 .   ? -3.694  7.483   0.305   1.00 2.29  1   BH 1 
HETATM 3918 C C13   . LIG_BH BH 48 .   ? -3.844  6.411   0.738   1.00 2.02  1   BH 1 
HETATM 3919 C C14   . LIG_BH BH 48 .   ? -3.237  5.432   1.029   1.00 2.28  1   BH 1 
HETATM 3920 C C15   . LIG_BH BH 48 .   ? -3.365  4.395   1.522   1.00 2.22  1   BH 1 
HETATM 3921 C C16   . LIG_BH BH 48 .   ? -2.744  3.425   1.895   1.00 2.43  1   BH 1 
HETATM 3922 C C17   . LIG_BH BH 48 .   ? -3.107  2.384   2.508   1.00 2.12  1   BH 1 
HETATM 3923 C C18   . LIG_BH BH 48 .   ? -2.252  1.396   2.811   1.00 2.05  1   BH 1 
HETATM 3924 O O1    . LIG_BH BH 48 .   ? -1.957  1.116   3.923   1.00 2.68  1   BH 1 
HETATM 3925 O O2    . LIG_BH BH 48 .   ? -1.817  0.843   1.792   1.00 2.62  1   BH 1 
HETATM 3926 C C19   . LIG_BH BH 48 .   ? -0.973  -0.192  1.961   1.00 1.86  1   BH 1 
HETATM 3927 C C20   . LIG_BH BH 48 .   ? -0.488  -0.675  0.661   1.00 2.31  1   BH 1 
HETATM 3928 C C21   . LIG_BH BH 48 .   ? 0.344   -1.896  0.858   1.00 2.04  1   BH 1 
HETATM 3929 O O3    . LIG_BH BH 48 .   ? -0.459  -2.976  0.950   1.00 2.51  1   BH 1 
HETATM 3930 P P1    . LIG_BH BH 48 .   ? 0.134   -4.369  0.854   1.00 2.72  1   BH 1 
HETATM 3931 O O4    . LIG_BH BH 48 .   ? -0.404  -4.985  -0.320  1.00 1.79  1   BH 1 
HETATM 3932 O O5    . LIG_BH BH 48 .   ? 1.548   -4.358  1.038   1.00 1.94  1   BH 1 
HETATM 3933 O O6    . LIG_BH BH 48 .   ? -0.507  -5.019  2.114   1.00 2.23  1   BH 1 
HETATM 3934 C C22   . LIG_BH BH 48 .   ? -1.745  -5.214  2.242   1.00 2.69  1   BH 1 
HETATM 3935 C C23   . LIG_BH BH 48 .   ? -2.002  -6.078  3.282   1.00 3.06  1   BH 1 
HETATM 3936 N N1    . LIG_BH BH 48 .   ? -1.855  -7.373  3.065   1.00 6.12  1   BH 1 
HETATM 3937 O O7    . LIG_BH BH 48 .   ? 0.335   0.301   0.072   1.00 1.92  1   BH 1 
HETATM 3938 C C24   . LIG_BH BH 48 .   ? -0.051  0.764   -1.044  1.00 1.90  1   BH 1 
HETATM 3939 O O8    . LIG_BH BH 48 .   ? -1.044  0.340   -1.593  1.00 1.76  1   BH 1 
HETATM 3940 C C25   . LIG_BH BH 48 .   ? 0.740   1.753   -1.559  1.00 1.74  1   BH 1 
HETATM 3941 C C26   . LIG_BH BH 48 .   ? 0.127   2.723   -2.237  1.00 1.91  1   BH 1 
HETATM 3942 C C27   . LIG_BH BH 48 .   ? 0.813   3.672   -2.768  1.00 1.79  1   BH 1 
HETATM 3943 C C28   . LIG_BH BH 48 .   ? 0.378   4.670   -3.423  1.00 1.53  1   BH 1 
HETATM 3944 C C29   . LIG_BH BH 48 .   ? 0.886   5.600   -4.024  1.00 1.44  1   BH 1 
HETATM 3945 C C30   . LIG_BH BH 48 .   ? 0.800   6.579   -4.680  1.00 1.38  1   BH 1 
HETATM 3946 C C31   . LIG_BH BH 48 .   ? 1.298   7.469   -5.271  1.00 1.34  1   BH 1 
HETATM 3947 C C32   . LIG_BH BH 48 .   ? 1.574   8.367   -5.859  1.00 1.33  1   BH 1 
HETATM 3948 C C33   . LIG_BH BH 48 .   ? 2.115   9.194   -6.377  1.00 1.29  1   BH 1 
HETATM 3949 C C34   . LIG_BH BH 48 .   ? 2.646   10.045  -6.802  1.00 1.31  1   BH 1 
HETATM 3950 C C35   . LIG_BH BH 48 .   ? 3.256   10.914  -7.091  1.00 1.30  1   BH 1 
HETATM 3951 C C36   . LIG_BH BH 48 .   ? 3.806   11.832  -7.079  1.00 1.36  1   BH 1 
HETATM 3952 C C37   . LIG_BH BH 48 .   ? 4.376   12.798  -7.210  1.00 1.39  1   BH 1 
HETATM 3953 C C38   . LIG_BH BH 48 .   ? 4.662   13.785  -6.759  1.00 1.36  1   BH 1 
HETATM 3954 C C39   . LIG_BH BH 48 .   ? 4.932   14.862  -6.799  1.00 1.29  1   BH 1 
HETATM 3955 C C40   . LIG_BH BH 48 .   ? 4.828   15.918  -6.545  1.00 1.30  1   BH 1 
HETATM 3956 C C41   . LIG_BH BH 48 .   ? 4.935   17.071  -6.707  1.00 1.28  1   BH 1 
HETATM 3957 C C1    . LIG_DH DH 49 .   ? 3.466   21.734  6.432   1.00 1.54  1   DH 1 
HETATM 3958 C C2    . LIG_DH DH 49 .   ? 3.028   21.081  7.345   1.00 1.50  1   DH 1 
HETATM 3959 C C3    . LIG_DH DH 49 .   ? 2.198   20.584  7.884   1.00 1.40  1   DH 1 
HETATM 3960 C C4    . LIG_DH DH 49 .   ? 1.800   19.900  8.723   1.00 1.37  1   DH 1 
HETATM 3961 C C5    . LIG_DH DH 49 .   ? 0.947   19.319  9.208   1.00 1.40  1   DH 1 
HETATM 3962 C C6    . LIG_DH DH 49 .   ? 0.484   18.594  9.904   1.00 1.31  1   DH 1 
HETATM 3963 C C7    . LIG_DH DH 49 .   ? -0.340  18.020  10.358  1.00 1.34  1   DH 1 
HETATM 3964 C C8    . LIG_DH DH 49 .   ? -0.844  17.346  11.031  1.00 1.41  1   DH 1 
HETATM 3965 C C9    . LIG_DH DH 49 .   ? -1.579  16.776  11.570  1.00 1.48  1   DH 1 
HETATM 3966 C C10   . LIG_DH DH 49 .   ? -2.054  16.106  12.282  1.00 1.56  1   DH 1 
HETATM 3967 C C11   . LIG_DH DH 49 .   ? -2.709  15.522  12.920  1.00 1.53  1   DH 1 
HETATM 3968 C C12   . LIG_DH DH 49 .   ? -2.902  14.751  13.735  1.00 1.76  1   DH 1 
HETATM 3969 C C13   . LIG_DH DH 49 .   ? -3.660  14.123  14.335  1.00 1.62  1   DH 1 
HETATM 3970 C C14   . LIG_DH DH 49 .   ? -3.611  13.262  15.154  1.00 1.74  1   DH 1 
HETATM 3971 C C15   . LIG_DH DH 49 .   ? -4.370  12.510  15.641  1.00 1.78  1   DH 1 
HETATM 3972 C C16   . LIG_DH DH 49 .   ? -4.117  11.606  16.493  1.00 1.90  1   DH 1 
HETATM 3973 C C17   . LIG_DH DH 49 .   ? -4.472  10.448  16.325  1.00 1.81  1   DH 1 
HETATM 3974 C C18   . LIG_DH DH 49 .   ? -4.099  9.498   17.158  1.00 2.09  1   DH 1 
HETATM 3975 O O1    . LIG_DH DH 49 .   ? -3.680  9.726   18.238  1.00 2.08  1   DH 1 
HETATM 3976 O O2    . LIG_DH DH 49 .   ? -4.246  8.411   16.687  1.00 2.52  1   DH 1 
HETATM 3977 C C19   . LIG_DH DH 49 .   ? -3.779  7.435   17.434  1.00 1.84  1   DH 1 
HETATM 3978 C C20   . LIG_DH DH 49 .   ? -4.241  6.145   16.980  1.00 2.48  1   DH 1 
HETATM 3979 C C21   . LIG_DH DH 49 .   ? -3.382  5.116   17.615  1.00 2.63  1   DH 1 
HETATM 3980 O O3    . LIG_DH DH 49 .   ? -3.381  5.365   18.959  1.00 3.07  1   DH 1 
HETATM 3981 P P1    . LIG_DH DH 49 .   ? -2.305  4.786   19.960  1.00 4.83  1   DH 1 
HETATM 3982 O O4    . LIG_DH DH 49 .   ? -2.971  4.847   21.222  1.00 4.13  1   DH 1 
HETATM 3983 O O5    . LIG_DH DH 49 .   ? -1.190  5.647   19.846  1.00 4.44  1   DH 1 
HETATM 3984 O O6    . LIG_DH DH 49 .   ? -2.068  3.457   19.512  1.00 4.72  1   DH 1 
HETATM 3985 O O7    . LIG_DH DH 49 .   ? -4.100  6.063   15.594  1.00 2.71  1   DH 1 
HETATM 3986 C C22   . LIG_DH DH 49 .   ? -5.200  6.015   14.944  1.00 2.98  1   DH 1 
HETATM 3987 O O8    . LIG_DH DH 49 .   ? -6.251  6.017   15.503  1.00 2.44  1   DH 1 
HETATM 3988 C C23   . LIG_DH DH 49 .   ? -5.056  5.967   13.546  1.00 2.58  1   DH 1 
HETATM 3989 C C24   . LIG_DH DH 49 .   ? -4.926  7.168   12.958  1.00 2.87  1   DH 1 
HETATM 3990 C C25   . LIG_DH DH 49 .   ? -5.809  8.160   13.122  1.00 2.75  1   DH 1 
HETATM 3991 C C26   . LIG_DH DH 49 .   ? -5.600  9.285   12.508  1.00 2.64  1   DH 1 
HETATM 3992 C C27   . LIG_DH DH 49 .   ? -6.332  10.327  12.556  1.00 2.28  1   DH 1 
HETATM 3993 C C28   . LIG_DH DH 49 .   ? -6.082  11.400  12.014  1.00 1.77  1   DH 1 
HETATM 3994 C C29   . LIG_DH DH 49 .   ? -6.539  12.443  11.797  1.00 1.70  1   DH 1 
HETATM 3995 C C30   . LIG_DH DH 49 .   ? -6.422  13.456  11.299  1.00 1.66  1   DH 1 
HETATM 3996 C C31   . LIG_DH DH 49 .   ? -6.412  14.370  10.747  1.00 1.64  1   DH 1 
HETATM 3997 C C32   . LIG_DH DH 49 .   ? -6.191  15.241  10.095  1.00 1.64  1   DH 1 
HETATM 3998 C C33   . LIG_DH DH 49 .   ? -5.974  15.753  9.157   1.00 1.52  1   DH 1 
HETATM 3999 C C34   . LIG_DH DH 49 .   ? -5.660  16.500  8.414   1.00 1.49  1   DH 1 
HETATM 4000 C C35   . LIG_DH DH 49 .   ? -5.482  16.901  7.382   1.00 1.49  1   DH 1 
HETATM 4001 C C36   . LIG_DH DH 49 .   ? -5.267  17.832  6.723   1.00 1.53  1   DH 1 
HETATM 4002 C C37   . LIG_DH DH 49 .   ? -5.298  18.208  5.605   1.00 1.46  1   DH 1 
HETATM 4003 C C38   . LIG_DH DH 49 .   ? -5.191  19.338  5.067   1.00 1.36  1   DH 1 
HETATM 4004 C C39   . LIG_DH DH 49 .   ? -6.239  20.044  4.743   1.00 1.37  1   DH 1 
HETATM 4005 C C1    . LIG_BI BI 50 .   ? 4.481   11.764  -22.097 1.00 1.60  1   BI 1 
HETATM 4006 C C2    . LIG_BI BI 50 .   ? 5.014   11.021  -21.775 1.00 1.87  1   BI 1 
HETATM 4007 C C3    . LIG_BI BI 50 .   ? 5.325   10.089  -21.297 1.00 1.89  1   BI 1 
HETATM 4008 C C4    . LIG_BI BI 50 .   ? 5.575   9.144   -20.818 1.00 1.98  1   BI 1 
HETATM 4009 C C5    . LIG_BI BI 50 .   ? 5.789   8.179   -20.315 1.00 1.84  1   BI 1 
HETATM 4010 C C6    . LIG_BI BI 50 .   ? 5.967   7.201   -19.804 1.00 1.81  1   BI 1 
HETATM 4011 C C7    . LIG_BI BI 50 .   ? 6.122   6.232   -19.306 1.00 1.76  1   BI 1 
HETATM 4012 C C8    . LIG_BI BI 50 .   ? 6.235   5.255   -18.791 1.00 1.71  1   BI 1 
HETATM 4013 C C9    . LIG_BI BI 50 .   ? 6.329   4.302   -18.285 1.00 1.89  1   BI 1 
HETATM 4014 C C10   . LIG_BI BI 50 .   ? 6.384   3.294   -17.753 1.00 1.86  1   BI 1 
HETATM 4015 C C11   . LIG_BI BI 50 .   ? 6.418   2.314   -17.243 1.00 1.91  1   BI 1 
HETATM 4016 C C12   . LIG_BI BI 50 .   ? 6.401   1.306   -16.723 1.00 1.97  1   BI 1 
HETATM 4017 C C13   . LIG_BI BI 50 .   ? 6.378   0.325   -16.197 1.00 1.61  1   BI 1 
HETATM 4018 C C14   . LIG_BI BI 50 .   ? 6.303   -0.701  -15.729 1.00 1.59  1   BI 1 
HETATM 4019 C C15   . LIG_BI BI 50 .   ? 6.249   -1.658  -15.222 1.00 1.64  1   BI 1 
HETATM 4020 C C16   . LIG_BI BI 50 .   ? 6.081   -2.715  -14.813 1.00 1.65  1   BI 1 
HETATM 4021 C C17   . LIG_BI BI 50 .   ? 6.002   -3.549  -14.182 1.00 1.45  1   BI 1 
HETATM 4022 C C18   . LIG_BI BI 50 .   ? 5.610   -4.773  -14.031 1.00 1.62  1   BI 1 
HETATM 4023 O O1    . LIG_BI BI 50 .   ? 5.851   -5.608  -14.814 1.00 2.38  1   BI 1 
HETATM 4024 O O2    . LIG_BI BI 50 .   ? 4.936   -4.946  -13.023 1.00 2.15  1   BI 1 
HETATM 4025 C C19   . LIG_BI BI 50 .   ? 4.379   -6.136  -12.914 1.00 1.61  1   BI 1 
HETATM 4026 C C20   . LIG_BI BI 50 .   ? 3.056   -6.088  -12.322 1.00 1.67  1   BI 1 
HETATM 4027 C C21   . LIG_BI BI 50 .   ? 2.505   -7.459  -12.263 1.00 1.67  1   BI 1 
HETATM 4028 O O3    . LIG_BI BI 50 .   ? 2.923   -8.035  -11.166 1.00 1.58  1   BI 1 
HETATM 4029 P P1    . LIG_BI BI 50 .   ? 2.506   -9.456  -10.818 1.00 1.65  1   BI 1 
HETATM 4030 O O4    . LIG_BI BI 50 .   ? 2.088   -9.436  -9.454  1.00 1.46  1   BI 1 
HETATM 4031 O O5    . LIG_BI BI 50 .   ? 1.697   -10.030 -11.783 1.00 1.45  1   BI 1 
HETATM 4032 O O6    . LIG_BI BI 50 .   ? 3.924   -10.067 -10.865 1.00 1.50  1   BI 1 
HETATM 4033 C C22   . LIG_BI BI 50 .   ? 4.152   -11.288 -10.781 1.00 1.74  1   BI 1 
HETATM 4034 C C23   . LIG_BI BI 50 .   ? 5.376   -11.458 -10.340 1.00 1.70  1   BI 1 
HETATM 4035 N N1    . LIG_BI BI 50 .   ? 6.074   -10.568 -10.276 1.00 2.63  1   BI 1 
HETATM 4036 O O7    . LIG_BI BI 50 .   ? 2.194   -5.353  -13.101 1.00 1.71  1   BI 1 
HETATM 4037 C C24   . LIG_BI BI 50 .   ? 1.767   -4.290  -12.591 1.00 1.60  1   BI 1 
HETATM 4038 O O8    . LIG_BI BI 50 .   ? 1.903   -4.032  -11.433 1.00 1.69  1   BI 1 
HETATM 4039 C C25   . LIG_BI BI 50 .   ? 1.228   -3.469  -13.450 1.00 1.52  1   BI 1 
HETATM 4040 C C26   . LIG_BI BI 50 .   ? 1.266   -2.360  -13.662 1.00 1.70  1   BI 1 
HETATM 4041 C C27   . LIG_BI BI 50 .   ? 1.104   -1.400  -14.242 1.00 1.81  1   BI 1 
HETATM 4042 C C28   . LIG_BI BI 50 .   ? 1.104   -0.339  -14.614 1.00 1.65  1   BI 1 
HETATM 4043 C C29   . LIG_BI BI 50 .   ? 1.036   0.683   -15.106 1.00 1.75  1   BI 1 
HETATM 4044 C C30   . LIG_BI BI 50 .   ? 1.044   1.728   -15.542 1.00 1.73  1   BI 1 
HETATM 4045 C C31   . LIG_BI BI 50 .   ? 1.058   2.742   -16.028 1.00 1.74  1   BI 1 
HETATM 4046 C C32   . LIG_BI BI 50 .   ? 1.101   3.741   -16.500 1.00 1.82  1   BI 1 
HETATM 4047 C C33   . LIG_BI BI 50 .   ? 1.162   4.728   -17.010 1.00 1.79  1   BI 1 
HETATM 4048 C C34   . LIG_BI BI 50 .   ? 1.238   5.714   -17.548 1.00 1.77  1   BI 1 
HETATM 4049 C C35   . LIG_BI BI 50 .   ? 1.336   6.683   -18.089 1.00 1.70  1   BI 1 
HETATM 4050 C C36   . LIG_BI BI 50 .   ? 1.450   7.639   -18.653 1.00 1.81  1   BI 1 
HETATM 4051 C C37   . LIG_BI BI 50 .   ? 1.570   8.588   -19.235 1.00 1.83  1   BI 1 
HETATM 4052 C C38   . LIG_BI BI 50 .   ? 1.702   9.518   -19.833 1.00 1.56  1   BI 1 
HETATM 4053 C C39   . LIG_BI BI 50 .   ? 1.850   10.429  -20.457 1.00 1.56  1   BI 1 
HETATM 4054 C C40   . LIG_BI BI 50 .   ? 2.062   11.273  -21.088 1.00 1.52  1   BI 1 
HETATM 4055 C C41   . LIG_BI BI 50 .   ? 2.287   12.097  -21.729 1.00 1.34  1   BI 1 
HETATM 4056 C C1    . LIG_DI DI 51 .   ? 6.952   20.633  -3.281  1.00 1.27  1   DI 1 
HETATM 4057 C C2    . LIG_DI DI 51 .   ? 6.688   19.545  -2.876  1.00 1.26  1   DI 1 
HETATM 4058 C C3    . LIG_DI DI 51 .   ? 6.640   18.526  -2.492  1.00 1.29  1   DI 1 
HETATM 4059 C C4    . LIG_DI DI 51 .   ? 6.474   17.495  -2.079  1.00 1.29  1   DI 1 
HETATM 4060 C C5    . LIG_DI DI 51 .   ? 6.386   16.518  -1.602  1.00 1.36  1   DI 1 
HETATM 4061 C C6    . LIG_DI DI 51 .   ? 6.197   15.565  -1.077  1.00 1.30  1   DI 1 
HETATM 4062 C C7    . LIG_DI DI 51 .   ? 6.038   14.649  -0.510  1.00 1.30  1   DI 1 
HETATM 4063 C C8    . LIG_DI DI 51 .   ? 5.770   13.765  0.060   1.00 1.37  1   DI 1 
HETATM 4064 C C9    . LIG_DI DI 51 .   ? 5.486   12.890  0.572   1.00 1.38  1   DI 1 
HETATM 4065 C C10   . LIG_DI DI 51 .   ? 5.110   12.011  1.132   1.00 1.37  1   DI 1 
HETATM 4066 C C11   . LIG_DI DI 51 .   ? 4.777   11.131  1.629   1.00 1.33  1   DI 1 
HETATM 4067 C C12   . LIG_DI DI 51 .   ? 4.450   10.336  2.323   1.00 1.44  1   DI 1 
HETATM 4068 C C13   . LIG_DI DI 51 .   ? 4.316   9.351   2.838   1.00 1.36  1   DI 1 
HETATM 4069 C C14   . LIG_DI DI 51 .   ? 4.203   8.756   3.839   1.00 1.45  1   DI 1 
HETATM 4070 C C15   . LIG_DI DI 51 .   ? 4.372   7.661   4.245   1.00 1.40  1   DI 1 
HETATM 4071 C C16   . LIG_DI DI 51 .   ? 4.302   7.241   5.465   1.00 1.48  1   DI 1 
HETATM 4072 C C17   . LIG_DI DI 51 .   ? 4.924   6.162   5.769   1.00 1.31  1   DI 1 
HETATM 4073 C C18   . LIG_DI DI 51 .   ? 4.785   5.641   7.008   1.00 1.37  1   DI 1 
HETATM 4074 O O1    . LIG_DI DI 51 .   ? 3.798   5.077   7.334   1.00 1.56  1   DI 1 
HETATM 4075 O O2    . LIG_DI DI 51 .   ? 5.775   5.815   7.713   1.00 1.54  1   DI 1 
HETATM 4076 C C19   . LIG_DI DI 51 .   ? 5.756   5.160   8.861   1.00 1.31  1   DI 1 
HETATM 4077 C C20   . LIG_DI DI 51 .   ? 6.887   5.544   9.703   1.00 1.35  1   DI 1 
HETATM 4078 C C21   . LIG_DI DI 51 .   ? 6.826   4.802   10.978  1.00 1.37  1   DI 1 
HETATM 4079 O O3    . LIG_DI DI 51 .   ? 7.550   3.666   10.909  1.00 1.50  1   DI 1 
HETATM 4080 P P1    . LIG_DI DI 51 .   ? 7.670   2.701   12.147  1.00 1.94  1   DI 1 
HETATM 4081 O O4    . LIG_DI DI 51 .   ? 7.037   3.388   13.249  1.00 1.79  1   DI 1 
HETATM 4082 O O5    . LIG_DI DI 51 .   ? 6.995   1.514   11.732  1.00 1.74  1   DI 1 
HETATM 4083 O O6    . LIG_DI DI 51 .   ? 9.079   2.549   12.295  1.00 1.73  1   DI 1 
HETATM 4084 O O7    . LIG_DI DI 51 .   ? 6.742   6.878   10.034  1.00 1.39  1   DI 1 
HETATM 4085 C C22   . LIG_DI DI 51 .   ? 7.763   7.591   9.911   1.00 1.41  1   DI 1 
HETATM 4086 O O8    . LIG_DI DI 51 .   ? 8.777   7.193   9.438   1.00 1.39  1   DI 1 
HETATM 4087 C C23   . LIG_DI DI 51 .   ? 7.574   8.867   10.368  1.00 1.28  1   DI 1 
HETATM 4088 C C24   . LIG_DI DI 51 .   ? 8.022   9.817   9.560   1.00 1.38  1   DI 1 
HETATM 4089 C C25   . LIG_DI DI 51 .   ? 7.270   10.233  8.589   1.00 1.48  1   DI 1 
HETATM 4090 C C26   . LIG_DI DI 51 .   ? 7.491   11.194  7.908   1.00 1.47  1   DI 1 
HETATM 4091 C C27   . LIG_DI DI 51 .   ? 7.253   11.910  7.078   1.00 1.42  1   DI 1 
HETATM 4092 C C28   . LIG_DI DI 51 .   ? 7.364   12.828  6.449   1.00 1.33  1   DI 1 
HETATM 4093 C C29   . LIG_DI DI 51 .   ? 7.337   13.686  5.800   1.00 1.33  1   DI 1 
HETATM 4094 C C30   . LIG_DI DI 51 .   ? 7.425   14.663  5.319   1.00 1.34  1   DI 1 
HETATM 4095 C C31   . LIG_DI DI 51 .   ? 7.348   15.617  4.820   1.00 1.35  1   DI 1 
HETATM 4096 C C32   . LIG_DI DI 51 .   ? 7.277   16.622  4.434   1.00 1.41  1   DI 1 
HETATM 4097 C C33   . LIG_DI DI 51 .   ? 7.018   17.544  3.944   1.00 1.33  1   DI 1 
HETATM 4098 C C34   . LIG_DI DI 51 .   ? 6.820   18.567  3.627   1.00 1.32  1   DI 1 
HETATM 4099 C C35   . LIG_DI DI 51 .   ? 6.317   19.401  3.062   1.00 1.35  1   DI 1 
HETATM 4100 C C36   . LIG_DI DI 51 .   ? 6.129   20.507  2.827   1.00 1.38  1   DI 1 
HETATM 4101 C C37   . LIG_DI DI 51 .   ? 5.663   21.329  2.174   1.00 1.40  1   DI 1 
HETATM 4102 C C38   . LIG_DI DI 51 .   ? 5.477   22.407  1.831   1.00 1.31  1   DI 1 
HETATM 4103 C C39   . LIG_DI DI 51 .   ? 4.984   23.149  0.986   1.00 1.34  1   DI 1 
HETATM 4104 C C1    . LIG_BJ BJ 52 .   ? 3.163   20.234  -3.301  1.00 1.36  1   BJ 1 
HETATM 4105 C C2    . LIG_BJ BJ 52 .   ? 2.763   19.612  -2.325  1.00 1.35  1   BJ 1 
HETATM 4106 C C3    . LIG_BJ BJ 52 .   ? 3.076   19.165  -1.308  1.00 1.35  1   BJ 1 
HETATM 4107 C C4    . LIG_BJ BJ 52 .   ? 2.852   18.403  -0.437  1.00 1.35  1   BJ 1 
HETATM 4108 C C5    . LIG_BJ BJ 52 .   ? 3.248   17.797  0.450   1.00 1.35  1   BJ 1 
HETATM 4109 C C6    . LIG_BJ BJ 52 .   ? 3.129   16.975  1.208   1.00 1.34  1   BJ 1 
HETATM 4110 C C7    . LIG_BJ BJ 52 .   ? 3.376   16.295  2.030   1.00 1.27  1   BJ 1 
HETATM 4111 C C8    . LIG_BJ BJ 52 .   ? 3.301   15.531  2.798   1.00 1.36  1   BJ 1 
HETATM 4112 C C9    . LIG_BJ BJ 52 .   ? 3.263   14.883  3.622   1.00 1.36  1   BJ 1 
HETATM 4113 C C10   . LIG_BJ BJ 52 .   ? 3.121   14.157  4.430   1.00 1.46  1   BJ 1 
HETATM 4114 C C11   . LIG_BJ BJ 52 .   ? 2.804   13.540  5.273   1.00 1.51  1   BJ 1 
HETATM 4115 C C12   . LIG_BJ BJ 52 .   ? 2.746   12.686  6.017   1.00 1.65  1   BJ 1 
HETATM 4116 C C13   . LIG_BJ BJ 52 .   ? 2.232   12.049  6.854   1.00 1.51  1   BJ 1 
HETATM 4117 C C14   . LIG_BJ BJ 52 .   ? 2.401   11.035  7.446   1.00 1.65  1   BJ 1 
HETATM 4118 C C15   . LIG_BJ BJ 52 .   ? 1.950   10.296  8.190   1.00 1.60  1   BJ 1 
HETATM 4119 C C16   . LIG_BJ BJ 52 .   ? 2.306   9.240   8.757   1.00 1.77  1   BJ 1 
HETATM 4120 C C17   . LIG_BJ BJ 52 .   ? 1.610   8.559   9.507   1.00 1.53  1   BJ 1 
HETATM 4121 C C18   . LIG_BJ BJ 52 .   ? 2.071   7.443   10.076  1.00 1.75  1   BJ 1 
HETATM 4122 O O1    . LIG_BJ BJ 52 .   ? 3.214   7.155   10.114  1.00 1.91  1   BJ 1 
HETATM 4123 O O2    . LIG_BJ BJ 52 .   ? 1.177   6.802   10.530  1.00 2.07  1   BJ 1 
HETATM 4124 C C19   . LIG_BJ BJ 52 .   ? 1.505   5.667   11.164  1.00 1.70  1   BJ 1 
HETATM 4125 C C20   . LIG_BJ BJ 52 .   ? 0.287   5.158   11.785  1.00 2.26  1   BJ 1 
HETATM 4126 C C21   . LIG_BJ BJ 52 .   ? 0.471   3.845   12.430  1.00 2.13  1   BJ 1 
HETATM 4127 O O3    . LIG_BJ BJ 52 .   ? 1.748   3.468   12.459  1.00 2.45  1   BJ 1 
HETATM 4128 P P1    . LIG_BJ BJ 52 .   ? 2.131   2.201   13.241  1.00 3.01  1   BJ 1 
HETATM 4129 O O4    . LIG_BJ BJ 52 .   ? 3.482   1.902   12.892  1.00 2.70  1   BJ 1 
HETATM 4130 O O5    . LIG_BJ BJ 52 .   ? 1.128   1.223   13.135  1.00 2.98  1   BJ 1 
HETATM 4131 O O6    . LIG_BJ BJ 52 .   ? 2.090   2.832   14.658  1.00 2.62  1   BJ 1 
HETATM 4132 C C22   . LIG_BJ BJ 52 .   ? 2.578   2.286   15.618  1.00 2.52  1   BJ 1 
HETATM 4133 C C23   . LIG_BJ BJ 52 .   ? 2.690   3.138   16.694  1.00 2.24  1   BJ 1 
HETATM 4134 N N1    . LIG_BJ BJ 52 .   ? 3.460   2.748   17.611  1.00 5.71  1   BJ 1 
HETATM 4135 O O7    . LIG_BJ BJ 52 .   ? -0.635  4.934   10.756  1.00 2.25  1   BJ 1 
HETATM 4136 C C24   . LIG_BJ BJ 52 .   ? -1.740  5.531   10.897  1.00 2.14  1   BJ 1 
HETATM 4137 O O8    . LIG_BJ BJ 52 .   ? -1.987  6.153   11.889  1.00 1.81  1   BJ 1 
HETATM 4138 C C25   . LIG_BJ BJ 52 .   ? -2.593  5.427   9.809   1.00 2.10  1   BJ 1 
HETATM 4139 C C26   . LIG_BJ BJ 52 .   ? -3.310  6.512   9.499   1.00 2.29  1   BJ 1 
HETATM 4140 C C27   . LIG_BJ BJ 52 .   ? -2.680  7.569   9.021   1.00 2.29  1   BJ 1 
HETATM 4141 C C28   . LIG_BJ BJ 52 .   ? -3.262  8.655   8.670   1.00 1.71  1   BJ 1 
HETATM 4142 C C29   . LIG_BJ BJ 52 .   ? -2.773  9.738   8.349   1.00 1.70  1   BJ 1 
HETATM 4143 C C30   . LIG_BJ BJ 52 .   ? -3.021  10.835  7.996   1.00 1.60  1   BJ 1 
HETATM 4144 C C31   . LIG_BJ BJ 52 .   ? -2.535  11.858  7.713   1.00 1.44  1   BJ 1 
HETATM 4145 C C32   . LIG_BJ BJ 52 .   ? -2.448  12.891  7.303   1.00 1.49  1   BJ 1 
HETATM 4146 C C33   . LIG_BJ BJ 52 .   ? -1.962  13.815  6.915   1.00 1.36  1   BJ 1 
HETATM 4147 C C34   . LIG_BJ BJ 52 .   ? -1.677  14.770  6.415   1.00 1.35  1   BJ 1 
HETATM 4148 C C35   . LIG_BJ BJ 52 .   ? -1.098  15.620  5.989   1.00 1.30  1   BJ 1 
HETATM 4149 C C36   . LIG_BJ BJ 52 .   ? -0.728  16.507  5.460   1.00 1.34  1   BJ 1 
HETATM 4150 C C37   . LIG_BJ BJ 52 .   ? -0.200  17.358  4.968   1.00 1.37  1   BJ 1 
HETATM 4151 C C38   . LIG_BJ BJ 52 .   ? 0.120   18.256  4.393   1.00 1.33  1   BJ 1 
HETATM 4152 C C39   . LIG_BJ BJ 52 .   ? 0.594   19.123  3.831   1.00 1.29  1   BJ 1 
HETATM 4153 C C40   . LIG_BJ BJ 52 .   ? 0.957   19.933  3.264   1.00 1.34  1   BJ 1 
HETATM 4154 C C41   . LIG_BJ BJ 52 .   ? 1.444   20.818  2.656   1.00 1.28  1   BJ 1 
HETATM 4155 C C1    . LIG_DJ DJ 53 .   ? -12.064 14.789  -10.628 1.00 1.58  1   DJ 1 
HETATM 4156 C C2    . LIG_DJ DJ 53 .   ? -11.487 14.312  -9.661  1.00 1.49  1   DJ 1 
HETATM 4157 C C3    . LIG_DJ DJ 53 .   ? -11.759 13.644  -8.769  1.00 1.46  1   DJ 1 
HETATM 4158 C C4    . LIG_DJ DJ 53 .   ? -11.439 13.025  -7.877  1.00 1.51  1   DJ 1 
HETATM 4159 C C5    . LIG_DJ DJ 53 .   ? -11.763 12.334  -7.012  1.00 1.57  1   DJ 1 
HETATM 4160 C C6    . LIG_DJ DJ 53 .   ? -11.675 11.338  -6.679  1.00 1.54  1   DJ 1 
HETATM 4161 C C7    . LIG_DJ DJ 53 .   ? -11.611 10.350  -6.927  1.00 1.50  1   DJ 1 
HETATM 4162 C C8    . LIG_DJ DJ 53 .   ? -11.704 9.387   -7.339  1.00 1.57  1   DJ 1 
HETATM 4163 C C9    . LIG_DJ DJ 53 .   ? -11.895 8.478   -7.802  1.00 1.62  1   DJ 1 
HETATM 4164 C C10   . LIG_DJ DJ 53 .   ? -12.118 7.531   -8.308  1.00 1.69  1   DJ 1 
HETATM 4165 C C11   . LIG_DJ DJ 53 .   ? -12.430 6.625   -8.657  1.00 1.79  1   DJ 1 
HETATM 4166 C C12   . LIG_DJ DJ 53 .   ? -12.589 5.504   -9.005  1.00 1.95  1   DJ 1 
HETATM 4167 C C13   . LIG_DJ DJ 53 .   ? -13.312 4.706   -8.509  1.00 1.76  1   DJ 1 
HETATM 4168 C C14   . LIG_DJ DJ 53 .   ? -13.537 3.555   -8.492  1.00 1.81  1   DJ 1 
HETATM 4169 C C15   . LIG_DJ DJ 53 .   ? -14.325 2.859   -7.926  1.00 1.78  1   DJ 1 
HETATM 4170 C C16   . LIG_DJ DJ 53 .   ? -14.535 1.638   -7.931  1.00 1.86  1   DJ 1 
HETATM 4171 C C17   . LIG_DJ DJ 53 .   ? -15.412 1.073   -7.199  1.00 1.65  1   DJ 1 
HETATM 4172 C C18   . LIG_DJ DJ 53 .   ? -15.506 -0.262  -7.226  1.00 1.75  1   DJ 1 
HETATM 4173 O O1    . LIG_DJ DJ 53 .   ? -14.950 -0.918  -8.047  1.00 2.17  1   DJ 1 
HETATM 4174 O O2    . LIG_DJ DJ 53 .   ? -16.188 -0.717  -6.365  1.00 2.42  1   DJ 1 
HETATM 4175 C C19   . LIG_DJ DJ 53 .   ? -16.260 -2.029  -6.366  1.00 1.92  1   DJ 1 
HETATM 4176 C C20   . LIG_DJ DJ 53 .   ? -17.019 -2.471  -5.212  1.00 2.59  1   DJ 1 
HETATM 4177 C C21   . LIG_DJ DJ 53 .   ? -16.760 -3.920  -5.030  1.00 2.67  1   DJ 1 
HETATM 4178 O O3    . LIG_DJ DJ 53 .   ? -17.359 -4.288  -3.880  1.00 3.49  1   DJ 1 
HETATM 4179 P P1    . LIG_DJ DJ 53 .   ? -17.386 -5.764  -3.381  1.00 4.68  1   DJ 1 
HETATM 4180 O O4    . LIG_DJ DJ 53 .   ? -16.206 -5.860  -2.547  1.00 3.77  1   DJ 1 
HETATM 4181 O O5    . LIG_DJ DJ 53 .   ? -18.608 -5.843  -2.644  1.00 4.40  1   DJ 1 
HETATM 4182 O O6    . LIG_DJ DJ 53 .   ? -17.334 -6.589  -4.544  1.00 5.38  1   DJ 1 
HETATM 4183 O O7    . LIG_DJ DJ 53 .   ? -18.376 -2.310  -5.440  1.00 2.24  1   DJ 1 
HETATM 4184 C C22   . LIG_DJ DJ 53 .   ? -18.940 -1.421  -4.770  1.00 2.72  1   DJ 1 
HETATM 4185 O O8    . LIG_DJ DJ 53 .   ? -18.291 -0.590  -4.183  1.00 2.09  1   DJ 1 
HETATM 4186 C C23   . LIG_DJ DJ 53 .   ? -20.327 -1.423  -4.745  1.00 2.17  1   DJ 1 
HETATM 4187 C C24   . LIG_DJ DJ 53 .   ? -20.845 -0.222  -4.435  1.00 2.21  1   DJ 1 
HETATM 4188 C C25   . LIG_DJ DJ 53 .   ? -20.544 0.740   -5.263  1.00 2.13  1   DJ 1 
HETATM 4189 C C26   . LIG_DJ DJ 53 .   ? -20.840 1.960   -5.128  1.00 1.98  1   DJ 1 
HETATM 4190 C C27   . LIG_DJ DJ 53 .   ? -20.535 2.821   -5.967  1.00 1.87  1   DJ 1 
HETATM 4191 C C28   . LIG_DJ DJ 53 .   ? -20.612 3.852   -6.313  1.00 1.53  1   DJ 1 
HETATM 4192 C C29   . LIG_DJ DJ 53 .   ? -20.484 4.739   -6.935  1.00 1.48  1   DJ 1 
HETATM 4193 C C30   . LIG_DJ DJ 53 .   ? -20.555 5.809   -7.101  1.00 1.47  1   DJ 1 
HETATM 4194 C C31   . LIG_DJ DJ 53 .   ? -20.574 6.851   -7.173  1.00 1.48  1   DJ 1 
HETATM 4195 C C32   . LIG_DJ DJ 53 .   ? -20.624 7.915   -7.035  1.00 1.56  1   DJ 1 
HETATM 4196 C C33   . LIG_DJ DJ 53 .   ? -20.581 8.920   -6.761  1.00 1.44  1   DJ 1 
HETATM 4197 C C34   . LIG_DJ DJ 53 .   ? -20.391 9.892   -6.338  1.00 1.49  1   DJ 1 
HETATM 4198 C C35   . LIG_DJ DJ 53 .   ? -20.112 10.802  -5.935  1.00 1.50  1   DJ 1 
HETATM 4199 C C36   . LIG_DJ DJ 53 .   ? -19.671 11.756  -5.602  1.00 1.51  1   DJ 1 
HETATM 4200 C C37   . LIG_DJ DJ 53 .   ? -19.218 12.724  -5.953  1.00 1.43  1   DJ 1 
HETATM 4201 C C38   . LIG_DJ DJ 53 .   ? -18.759 13.744  -5.874  1.00 1.38  1   DJ 1 
HETATM 4202 C C39   . LIG_DJ DJ 53 .   ? -18.290 14.663  -6.568  1.00 1.41  1   DJ 1 
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