# 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-gdp
#
_entry.id atrop9short-ger-30dopc-10dope-10dopa-charge2-gdp
#
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" 
"C10 H15 N5 O11 P2" 443.201 GDP    n "GUANOSINE-5'-DIPHOSPHATE" c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N             ? "RNA 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"   
"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 15:48:41)"
_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 30.14
_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 46.32 1 1   
A  SER    2   2 50.84 1 2   
A  ALA    3   2 60.54 1 3   
A  SER    4   2 65.15 1 4   
A  LYS    5   2 69.74 1 5   
A  PHE    6   2 78.81 1 6   
A  ILE    7   2 83.37 1 7   
A  LYS    8   2 85.97 1 8   
A  CYS    9   2 87.61 1 9   
A  VAL    10  2 86.47 1 10  
A  THR    11  2 83.93 1 11  
A  VAL    12  2 85.25 1 12  
A  GLY    13  2 87.21 1 13  
A  ASP    14  2 84.73 1 14  
A  GLY    15  2 86.33 1 15  
A  ALA    16  2 85.39 1 16  
A  VAL    17  2 84.82 1 17  
A  GLY    18  2 87.79 1 18  
A  LYS    19  2 84.85 1 19  
A  THR    20  2 83.90 1 20  
A  CYS    21  2 87.97 1 21  
A  MET    22  2 85.70 1 22  
A  LEU    23  2 85.35 1 23  
A  ILE    24  2 84.73 1 24  
A  CYS    25  2 86.56 1 25  
A  TYR    26  2 85.74 1 26  
A  THR    27  2 81.85 1 27  
A  SER    28  2 82.33 1 28  
A  ASN    29  2 79.73 1 29  
A  LYS    30  2 75.37 1 30  
A  PHE    31  2 80.89 1 31  
A  PRO    32  2 81.90 1 32  
A  THR    33  2 77.39 1 33  
A  ASP    34  2 74.58 1 34  
A  TYR    35  2 68.35 1 35  
A  ILE    36  2 74.50 1 36  
A  PRO    37  2 77.02 1 37  
A  THR    38  2 71.84 1 38  
A  VAL    39  2 70.86 1 39  
A  PHE    40  2 70.63 1 40  
A  ASP    41  2 72.39 1 41  
A  ASN    42  2 73.31 1 42  
A  PHE    43  2 72.87 1 43  
A  SER    44  2 77.13 1 44  
A  ALA    45  2 82.02 1 45  
A  ASN    46  2 79.76 1 46  
A  VAL    47  2 81.77 1 47  
A  ALA    48  2 83.67 1 48  
A  VAL    49  2 78.51 1 49  
A  ASP    50  2 74.31 1 50  
A  GLY    51  2 81.09 1 51  
A  GLN    52  2 74.98 1 52  
A  ILE    53  2 78.11 1 53  
A  VAL    54  2 82.01 1 54  
A  ASN    55  2 81.86 1 55  
A  LEU    56  2 85.43 1 56  
A  GLY    57  2 89.79 1 57  
A  LEU    58  2 85.00 1 58  
A  TRP    59  2 79.96 1 59  
A  ASP    60  2 81.27 1 60  
A  THR    61  2 79.93 1 61  
A  ALA    62  2 79.39 1 62  
A  GLY    63  2 78.20 1 63  
A  GLN    64  2 72.54 1 64  
A  GLU    65  2 70.18 1 65  
A  ASP    66  2 73.53 1 66  
A  TYR    67  2 71.61 1 67  
A  SER    68  2 81.54 1 68  
A  ARG    69  2 71.63 1 69  
A  LEU    70  2 78.78 1 70  
A  ARG    71  2 78.21 1 71  
A  PRO    72  2 85.43 1 72  
A  LEU    73  2 81.80 1 73  
A  SER    74  2 83.07 1 74  
A  TYR    75  2 82.86 1 75  
A  ARG    76  2 73.29 1 76  
A  GLY    77  2 87.65 1 77  
A  ALA    78  2 87.25 1 78  
A  ASP    79  2 85.54 1 79  
A  ILE    80  2 86.96 1 80  
A  PHE    81  2 87.53 1 81  
A  VAL    82  2 87.83 1 82  
A  LEU    83  2 87.73 1 83  
A  ALA    84  2 90.40 1 84  
A  PHE    85  2 87.87 1 85  
A  SER    86  2 88.65 1 86  
A  LEU    87  2 88.03 1 87  
A  ILE    88  2 82.39 1 88  
A  SER    89  2 86.95 1 89  
A  LYS    90  2 80.29 1 90  
A  ALA    91  2 89.29 1 91  
A  SER    92  2 87.69 1 92  
A  TYR    93  2 88.18 1 93  
A  GLU    94  2 84.97 1 94  
A  ASN    95  2 85.37 1 95  
A  VAL    96  2 87.40 1 96  
A  LEU    97  2 85.13 1 97  
A  LYS    98  2 81.16 1 98  
A  LYS    99  2 82.18 1 99  
A  TRP    100 2 86.67 1 100 
A  MET    101 2 87.19 1 101 
A  PRO    102 2 89.10 1 102 
A  GLU    103 2 84.41 1 103 
A  LEU    104 2 85.56 1 104 
A  ARG    105 2 75.52 1 105 
A  ARG    106 2 77.34 1 106 
A  PHE    107 2 81.20 1 107 
A  ALA    108 2 86.89 1 108 
A  PRO    109 2 84.64 1 109 
A  ASN    110 2 80.22 1 110 
A  VAL    111 2 86.39 1 111 
A  PRO    112 2 89.13 1 112 
A  ILE    113 2 86.94 1 113 
A  VAL    114 2 88.05 1 114 
A  LEU    115 2 88.83 1 115 
A  VAL    116 2 87.55 1 116 
A  GLY    117 2 90.71 1 117 
A  THR    118 2 86.60 1 118 
A  LYS    119 2 85.98 1 119 
A  LEU    120 2 86.82 1 120 
A  ASP    121 2 83.59 1 121 
A  LEU    122 2 83.16 1 122 
A  ARG    123 2 81.72 1 123 
A  ASP    124 2 76.95 1 124 
A  ASP    125 2 75.65 1 125 
A  LYS    126 2 67.39 1 126 
A  GLY    127 2 75.86 1 127 
A  TYR    128 2 68.27 1 128 
A  LEU    129 2 70.11 1 129 
A  ALA    130 2 73.77 1 130 
A  ASP    131 2 67.63 1 131 
A  HIS    132 2 60.23 1 132 
A  THR    133 2 69.39 1 133 
A  ASN    134 2 73.44 1 134 
A  VAL    135 2 81.57 1 135 
A  ILE    136 2 85.02 1 136 
A  THR    137 2 84.63 1 137 
A  SER    138 2 87.55 1 138 
A  THR    139 2 87.04 1 139 
A  GLN    140 2 85.65 1 140 
A  GLY    141 2 90.53 1 141 
A  GLU    142 2 85.04 1 142 
A  GLU    143 2 82.19 1 143 
A  LEU    144 2 88.00 1 144 
A  ARG    145 2 85.65 1 145 
A  LYS    146 2 83.48 1 146 
A  GLN    147 2 83.67 1 147 
A  ILE    148 2 85.51 1 148 
A  GLY    149 2 88.97 1 149 
A  ALA    150 2 89.67 1 150 
A  ALA    151 2 90.41 1 151 
A  ALA    152 2 91.22 1 152 
A  TYR    153 2 88.52 1 153 
A  ILE    154 2 85.99 1 154 
A  GLU    155 2 88.31 1 155 
A  CYS    156 2 89.25 1 156 
A  SER    157 2 89.21 1 157 
A  SER    158 2 87.89 1 158 
A  LYS    159 2 83.71 1 159 
A  THR    160 2 84.69 1 160 
A  GLN    161 2 81.33 1 161 
A  GLN    162 2 82.61 1 162 
A  ASN    163 2 85.37 1 163 
A  VAL    164 2 86.62 1 164 
A  LYS    165 2 81.32 1 165 
A  ALA    166 2 90.40 1 166 
A  VAL    167 2 86.72 1 167 
A  PHE    168 2 85.17 1 168 
A  ASP    169 2 85.47 1 169 
A  THR    170 2 86.09 1 170 
A  ALA    171 2 89.86 1 171 
A  ILE    172 2 85.57 1 172 
A  LYS    173 2 81.31 1 173 
A  VAL    174 2 85.68 1 174 
A  VAL    175 2 84.39 1 175 
A  LEU    176 2 80.51 1 176 
A  GLN    177 2 69.61 1 177 
A  PRO    178 2 65.48 1 178 
A  PRO    179 2 59.01 1 179 
A  ARG    180 2 45.45 1 180 
A  ARG    181 2 45.64 1 181 
A  LYS    182 2 45.57 1 182 
A  GLU    183 2 44.23 1 183 
A  VAL    184 2 47.85 1 184 
A  PRO    185 2 49.77 1 185 
A  ARG    186 2 46.56 1 186 
A  ARG    187 2 45.43 1 187 
A  ARG    188 2 45.11 1 188 
A  LYS    189 2 43.16 1 189 
A  ASN    190 2 52.74 1 190 
A  HIS    191 2 51.08 1 191 
A  ARG    192 2 45.49 1 192 
A  ARG    193 2 46.05 1 193 
A  SER    194 2 56.45 1 194 
A  GLY    195 2 62.36 1 195 
A  CYS    196 2 64.73 1 196 
B  GDP    .   2 74.58 1 197 
C  GER    .   2 8.01  1 198 
D  LIG_D  .   2 1.46  1 199 
E  LIG_E  .   2 1.95  1 200 
F  LIG_F  .   2 1.50  1 201 
G  LIG_G  .   2 1.51  1 202 
H  LIG_H  .   2 1.48  1 203 
I  LIG_I  .   2 1.45  1 204 
J  LIG_J  .   2 2.65  1 205 
K  LIG_K  .   2 1.47  1 206 
L  LIG_L  .   2 1.56  1 207 
M  LIG_M  .   2 1.85  1 208 
N  LIG_N  .   2 1.63  1 209 
O  LIG_O  .   2 2.79  1 210 
P  LIG_P  .   2 1.49  1 211 
Q  LIG_Q  .   2 1.50  1 212 
R  LIG_R  .   2 1.63  1 213 
S  LIG_S  .   2 1.85  1 214 
T  LIG_T  .   2 2.04  1 215 
U  LIG_U  .   2 2.98  1 216 
V  LIG_V  .   2 1.44  1 217 
W  LIG_W  .   2 1.71  1 218 
X  LIG_X  .   2 1.53  1 219 
Y  LIG_Y  .   2 1.43  1 220 
Z  LIG_Z  .   2 1.48  1 221 
AA LIG_AA .   2 1.44  1 222 
BA LIG_BA .   2 1.57  1 223 
DA LIG_DA .   2 1.28  1 224 
AB LIG_AB .   2 1.44  1 225 
BB LIG_BB .   2 2.25  1 226 
DB LIG_DB .   2 1.25  1 227 
AC LIG_AC .   2 1.74  1 228 
BC LIG_BC .   2 1.23  1 229 
DC LIG_DC .   2 1.28  1 230 
AD LIG_AD .   2 1.48  1 231 
BD LIG_BD .   2 1.44  1 232 
DD LIG_DD .   2 1.92  1 233 
AE LIG_AE .   2 1.46  1 234 
BE LIG_BE .   2 1.98  1 235 
DE LIG_DE .   2 1.27  1 236 
AF LIG_AF .   2 1.45  1 237 
BF LIG_BF .   2 1.30  1 238 
DF LIG_DF .   2 2.94  1 239 
AG LIG_AG .   2 2.10  1 240 
BG LIG_BG .   2 1.28  1 241 
DG LIG_DG .   2 1.41  1 242 
BH LIG_BH .   2 1.27  1 243 
DH LIG_DH .   2 1.28  1 244 
BI LIG_BI .   2 1.68  1 245 
DI LIG_DI .   2 1.65  1 246 
BJ LIG_BJ .   2 2.17  1 247 
DJ LIG_DJ .   2 1.58  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  GDP    . 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   ? 32.145  20.764  5.074   1.00 47.89 1   A  1 
ATOM   2    C CA    . MET    A  1  1   ? 33.004  19.625  4.713   1.00 49.71 1   A  1 
ATOM   3    C C     . MET    A  1  1   ? 32.337  18.735  3.677   1.00 49.38 1   A  1 
ATOM   4    O O     . MET    A  1  1   ? 31.217  18.285  3.885   1.00 45.63 1   A  1 
ATOM   5    C CB    . MET    A  1  1   ? 33.311  18.772  5.940   1.00 47.04 1   A  1 
ATOM   6    C CG    . MET    A  1  1   ? 34.242  19.434  6.933   1.00 45.51 1   A  1 
ATOM   7    S SD    . MET    A  1  1   ? 34.603  18.358  8.320   1.00 44.26 1   A  1 
ATOM   8    C CE    . MET    A  1  1   ? 35.449  17.005  7.502   1.00 41.12 1   A  1 
ATOM   9    N N     . SER    A  1  2   ? 33.019  18.475  2.611   1.00 52.28 2   A  1 
ATOM   10   C CA    . SER    A  1  2   ? 32.502  17.576  1.583   1.00 53.45 2   A  1 
ATOM   11   C C     . SER    A  1  2   ? 32.399  16.149  2.105   1.00 55.07 2   A  1 
ATOM   12   O O     . SER    A  1  2   ? 31.613  15.354  1.598   1.00 50.89 2   A  1 
ATOM   13   C CB    . SER    A  1  2   ? 33.396  17.616  0.347   1.00 48.91 2   A  1 
ATOM   14   O OG    . SER    A  1  2   ? 34.702  17.200  0.666   1.00 44.44 2   A  1 
ATOM   15   N N     . ALA    A  1  3   ? 33.199  15.832  3.111   1.00 60.06 3   A  1 
ATOM   16   C CA    . ALA    A  1  3   ? 33.196  14.490  3.679   1.00 61.76 3   A  1 
ATOM   17   C C     . ALA    A  1  3   ? 31.853  14.121  4.299   1.00 64.08 3   A  1 
ATOM   18   O O     . ALA    A  1  3   ? 31.491  12.946  4.342   1.00 59.94 3   A  1 
ATOM   19   C CB    . ALA    A  1  3   ? 34.303  14.361  4.718   1.00 56.86 3   A  1 
ATOM   20   N N     . SER    A  1  4   ? 31.130  15.113  4.773   1.00 67.02 4   A  1 
ATOM   21   C CA    . SER    A  1  4   ? 29.838  14.866  5.403   1.00 68.77 4   A  1 
ATOM   22   C C     . SER    A  1  4   ? 28.673  15.340  4.542   1.00 73.03 4   A  1 
ATOM   23   O O     . SER    A  1  4   ? 27.530  15.346  4.997   1.00 68.05 4   A  1 
ATOM   24   C CB    . SER    A  1  4   ? 29.783  15.542  6.773   1.00 61.04 4   A  1 
ATOM   25   O OG    . SER    A  1  4   ? 29.949  16.936  6.654   1.00 52.98 4   A  1 
ATOM   26   N N     . LYS    A  1  5   ? 28.947  15.715  3.325   1.00 77.13 5   A  1 
ATOM   27   C CA    . LYS    A  1  5   ? 27.890  16.192  2.443   1.00 80.70 5   A  1 
ATOM   28   C C     . LYS    A  1  5   ? 26.948  15.054  2.064   1.00 83.18 5   A  1 
ATOM   29   O O     . LYS    A  1  5   ? 27.388  13.984  1.655   1.00 80.07 5   A  1 
ATOM   30   C CB    . LYS    A  1  5   ? 28.483  16.814  1.181   1.00 75.68 5   A  1 
ATOM   31   C CG    . LYS    A  1  5   ? 27.438  17.385  0.236   1.00 66.57 5   A  1 
ATOM   32   C CD    . LYS    A  1  5   ? 28.070  18.045  -0.970  1.00 62.47 5   A  1 
ATOM   33   C CE    . LYS    A  1  5   ? 27.011  18.636  -1.881  1.00 53.83 5   A  1 
ATOM   34   N NZ    . LYS    A  1  5   ? 27.604  19.302  -3.068  1.00 48.02 5   A  1 
ATOM   35   N N     . PHE    A  1  6   ? 25.662  15.317  2.190   1.00 85.55 6   A  1 
ATOM   36   C CA    . PHE    A  1  6   ? 24.661  14.324  1.835   1.00 86.33 6   A  1 
ATOM   37   C C     . PHE    A  1  6   ? 24.110  14.619  0.446   1.00 87.12 6   A  1 
ATOM   38   O O     . PHE    A  1  6   ? 23.814  15.763  0.120   1.00 84.45 6   A  1 
ATOM   39   C CB    . PHE    A  1  6   ? 23.523  14.323  2.854   1.00 83.49 6   A  1 
ATOM   40   C CG    . PHE    A  1  6   ? 22.424  13.347  2.536   1.00 81.63 6   A  1 
ATOM   41   C CD1   . PHE    A  1  6   ? 22.589  11.992  2.776   1.00 74.72 6   A  1 
ATOM   42   C CD2   . PHE    A  1  6   ? 21.225  13.781  1.986   1.00 73.56 6   A  1 
ATOM   43   C CE1   . PHE    A  1  6   ? 21.580  11.087  2.478   1.00 70.47 6   A  1 
ATOM   44   C CE2   . PHE    A  1  6   ? 20.210  12.882  1.681   1.00 69.26 6   A  1 
ATOM   45   C CZ    . PHE    A  1  6   ? 20.390  11.531  1.930   1.00 70.38 6   A  1 
ATOM   46   N N     . ILE    A  1  7   ? 23.977  13.570  -0.346  1.00 86.11 7   A  1 
ATOM   47   C CA    . ILE    A  1  7   ? 23.428  13.700  -1.690  1.00 87.52 7   A  1 
ATOM   48   C C     . ILE    A  1  7   ? 22.244  12.761  -1.826  1.00 87.52 7   A  1 
ATOM   49   O O     . ILE    A  1  7   ? 22.388  11.552  -1.640  1.00 85.04 7   A  1 
ATOM   50   C CB    . ILE    A  1  7   ? 24.481  13.362  -2.764  1.00 86.25 7   A  1 
ATOM   51   C CG1   . ILE    A  1  7   ? 25.615  14.392  -2.729  1.00 80.14 7   A  1 
ATOM   52   C CG2   . ILE    A  1  7   ? 23.836  13.308  -4.146  1.00 78.84 7   A  1 
ATOM   53   C CD1   . ILE    A  1  7   ? 26.762  14.085  -3.670  1.00 75.53 7   A  1 
ATOM   54   N N     . LYS    A  1  8   ? 21.095  13.322  -2.163  1.00 88.90 8   A  1 
ATOM   55   C CA    . LYS    A  1  8   ? 19.906  12.510  -2.378  1.00 89.36 8   A  1 
ATOM   56   C C     . LYS    A  1  8   ? 19.750  12.225  -3.864  1.00 89.33 8   A  1 
ATOM   57   O O     . LYS    A  1  8   ? 19.516  13.137  -4.657  1.00 87.49 8   A  1 
ATOM   58   C CB    . LYS    A  1  8   ? 18.661  13.202  -1.832  1.00 87.84 8   A  1 
ATOM   59   C CG    . LYS    A  1  8   ? 17.376  12.431  -2.106  1.00 86.65 8   A  1 
ATOM   60   C CD    . LYS    A  1  8   ? 16.178  13.017  -1.376  1.00 84.55 8   A  1 
ATOM   61   C CE    . LYS    A  1  8   ? 14.920  12.228  -1.706  1.00 82.26 8   A  1 
ATOM   62   N NZ    . LYS    A  1  8   ? 13.736  12.690  -0.933  1.00 77.35 8   A  1 
ATOM   63   N N     . CYS    A  1  9   ? 19.862  10.959  -4.208  1.00 88.92 9   A  1 
ATOM   64   C CA    . CYS    A  1  9   ? 19.744  10.517  -5.590  1.00 89.30 9   A  1 
ATOM   65   C C     . CYS    A  1  9   ? 18.448  9.732   -5.752  1.00 89.11 9   A  1 
ATOM   66   O O     . CYS    A  1  9   ? 18.249  8.718   -5.084  1.00 86.73 9   A  1 
ATOM   67   C CB    . CYS    A  1  9   ? 20.947  9.650   -5.957  1.00 88.30 9   A  1 
ATOM   68   S SG    . CYS    A  1  9   ? 20.892  8.963   -7.619  1.00 83.32 9   A  1 
ATOM   69   N N     . VAL    A  1  10  ? 17.579  10.209  -6.632  1.00 89.87 10  A  1 
ATOM   70   C CA    . VAL    A  1  10  ? 16.284  9.566   -6.842  1.00 89.81 10  A  1 
ATOM   71   C C     . VAL    A  1  10  ? 16.229  8.937   -8.226  1.00 89.94 10  A  1 
ATOM   72   O O     . VAL    A  1  10  ? 16.479  9.605   -9.227  1.00 87.81 10  A  1 
ATOM   73   C CB    . VAL    A  1  10  ? 15.134  10.575  -6.689  1.00 88.52 10  A  1 
ATOM   74   C CG1   . VAL    A  1  10  ? 13.789  9.902   -6.935  1.00 79.28 10  A  1 
ATOM   75   C CG2   . VAL    A  1  10  ? 15.167  11.207  -5.304  1.00 80.04 10  A  1 
ATOM   76   N N     . THR    A  1  11  ? 15.881  7.659   -8.261  1.00 88.54 11  A  1 
ATOM   77   C CA    . THR    A  1  11  ? 15.811  6.927   -9.521  1.00 88.59 11  A  1 
ATOM   78   C C     . THR    A  1  11  ? 14.376  6.868   -10.036 1.00 87.78 11  A  1 
ATOM   79   O O     . THR    A  1  11  ? 13.466  6.477   -9.308  1.00 84.64 11  A  1 
ATOM   80   C CB    . THR    A  1  11  ? 16.357  5.503   -9.349  1.00 87.66 11  A  1 
ATOM   81   O OG1   . THR    A  1  11  ? 17.707  5.576   -8.871  1.00 74.89 11  A  1 
ATOM   82   C CG2   . THR    A  1  11  ? 16.337  4.740   -10.661 1.00 75.39 11  A  1 
ATOM   83   N N     . VAL    A  1  12  ? 14.201  7.239   -11.291 1.00 89.25 12  A  1 
ATOM   84   C CA    . VAL    A  1  12  ? 12.877  7.223   -11.913 1.00 89.57 12  A  1 
ATOM   85   C C     . VAL    A  1  12  ? 12.958  6.589   -13.296 1.00 89.26 12  A  1 
ATOM   86   O O     . VAL    A  1  12  ? 14.040  6.420   -13.853 1.00 85.53 12  A  1 
ATOM   87   C CB    . VAL    A  1  12  ? 12.282  8.643   -12.039 1.00 88.33 12  A  1 
ATOM   88   C CG1   . VAL    A  1  12  ? 12.148  9.288   -10.667 1.00 76.71 12  A  1 
ATOM   89   C CG2   . VAL    A  1  12  ? 13.137  9.507   -12.951 1.00 78.07 12  A  1 
ATOM   90   N N     . GLY    A  1  13  ? 11.794  6.227   -13.825 1.00 88.75 13  A  1 
ATOM   91   C CA    . GLY    A  1  13  ? 11.733  5.603   -15.133 1.00 88.67 13  A  1 
ATOM   92   C C     . GLY    A  1  13  ? 10.578  4.619   -15.188 1.00 88.37 13  A  1 
ATOM   93   O O     . GLY    A  1  13  ? 10.016  4.265   -14.154 1.00 83.06 13  A  1 
ATOM   94   N N     . ASP    A  1  14  ? 10.241  4.175   -16.388 1.00 88.24 14  A  1 
ATOM   95   C CA    . ASP    A  1  14  ? 9.142   3.230   -16.569 1.00 88.04 14  A  1 
ATOM   96   C C     . ASP    A  1  14  ? 9.311   1.971   -15.727 1.00 87.85 14  A  1 
ATOM   97   O O     . ASP    A  1  14  ? 10.417  1.607   -15.323 1.00 84.04 14  A  1 
ATOM   98   C CB    . ASP    A  1  14  ? 9.023   2.815   -18.035 1.00 86.48 14  A  1 
ATOM   99   C CG    . ASP    A  1  14  ? 8.307   3.845   -18.891 1.00 84.85 14  A  1 
ATOM   100  O OD1   . ASP    A  1  14  ? 8.028   4.959   -18.406 1.00 78.55 14  A  1 
ATOM   101  O OD2   . ASP    A  1  14  ? 8.016   3.521   -20.061 1.00 79.80 14  A  1 
ATOM   102  N N     . GLY    A  1  15  ? 8.187   1.307   -15.482 1.00 87.25 15  A  1 
ATOM   103  C CA    . GLY    A  1  15  ? 8.241   0.052   -14.764 1.00 86.83 15  A  1 
ATOM   104  C C     . GLY    A  1  15  ? 8.977   -1.005  -15.569 1.00 87.41 15  A  1 
ATOM   105  O O     . GLY    A  1  15  ? 8.933   -1.005  -16.796 1.00 83.81 15  A  1 
ATOM   106  N N     . ALA    A  1  16  ? 9.645   -1.901  -14.858 1.00 85.96 16  A  1 
ATOM   107  C CA    . ALA    A  1  16  ? 10.348  -3.034  -15.456 1.00 86.83 16  A  1 
ATOM   108  C C     . ALA    A  1  16  ? 11.581  -2.676  -16.281 1.00 87.41 16  A  1 
ATOM   109  O O     . ALA    A  1  16  ? 12.121  -3.539  -16.974 1.00 82.39 16  A  1 
ATOM   110  C CB    . ALA    A  1  16  ? 9.398   -3.889  -16.294 1.00 84.35 16  A  1 
ATOM   111  N N     . VAL    A  1  17  ? 12.040  -1.446  -16.208 1.00 88.13 17  A  1 
ATOM   112  C CA    . VAL    A  1  17  ? 13.268  -1.100  -16.927 1.00 88.62 17  A  1 
ATOM   113  C C     . VAL    A  1  17  ? 14.522  -1.539  -16.173 1.00 88.52 17  A  1 
ATOM   114  O O     . VAL    A  1  17  ? 15.607  -1.567  -16.751 1.00 84.61 17  A  1 
ATOM   115  C CB    . VAL    A  1  17  ? 13.370  0.409   -17.250 1.00 87.89 17  A  1 
ATOM   116  C CG1   . VAL    A  1  17  ? 12.187  0.859   -18.096 1.00 77.16 17  A  1 
ATOM   117  C CG2   . VAL    A  1  17  ? 13.489  1.237   -15.982 1.00 78.81 17  A  1 
ATOM   118  N N     . GLY    A  1  18  ? 14.365  -1.875  -14.907 1.00 88.12 18  A  1 
ATOM   119  C CA    . GLY    A  1  18  ? 15.500  -2.357  -14.135 1.00 88.78 18  A  1 
ATOM   120  C C     . GLY    A  1  18  ? 16.027  -1.415  -13.071 1.00 89.30 18  A  1 
ATOM   121  O O     . GLY    A  1  18  ? 17.177  -1.551  -12.647 1.00 84.96 18  A  1 
ATOM   122  N N     . LYS    A  1  19  ? 15.219  -0.472  -12.642 1.00 88.35 19  A  1 
ATOM   123  C CA    . LYS    A  1  19  ? 15.653  0.497   -11.632 1.00 88.39 19  A  1 
ATOM   124  C C     . LYS    A  1  19  ? 16.031  -0.181  -10.317 1.00 88.43 19  A  1 
ATOM   125  O O     . LYS    A  1  19  ? 17.096  0.080   -9.755  1.00 86.34 19  A  1 
ATOM   126  C CB    . LYS    A  1  19  ? 14.554  1.531   -11.370 1.00 86.82 19  A  1 
ATOM   127  C CG    . LYS    A  1  19  ? 14.127  2.321   -12.594 1.00 84.57 19  A  1 
ATOM   128  C CD    . LYS    A  1  19  ? 13.111  3.405   -12.250 1.00 82.84 19  A  1 
ATOM   129  C CE    . LYS    A  1  19  ? 11.810  2.845   -11.679 1.00 79.94 19  A  1 
ATOM   130  N NZ    . LYS    A  1  19  ? 11.093  1.986   -12.651 1.00 77.94 19  A  1 
ATOM   131  N N     . THR    A  1  20  ? 15.145  -1.029  -9.846  1.00 87.69 20  A  1 
ATOM   132  C CA    . THR    A  1  20  ? 15.373  -1.692  -8.566  1.00 87.42 20  A  1 
ATOM   133  C C     . THR    A  1  20  ? 16.592  -2.609  -8.629  1.00 87.87 20  A  1 
ATOM   134  O O     . THR    A  1  20  ? 17.421  -2.615  -7.717  1.00 86.01 20  A  1 
ATOM   135  C CB    . THR    A  1  20  ? 14.126  -2.476  -8.135  1.00 85.72 20  A  1 
ATOM   136  O OG1   . THR    A  1  20  ? 13.035  -1.565  -7.986  1.00 76.85 20  A  1 
ATOM   137  C CG2   . THR    A  1  20  ? 14.357  -3.199  -6.815  1.00 75.71 20  A  1 
ATOM   138  N N     . CYS    A  1  21  ? 16.704  -3.367  -9.700  1.00 89.19 21  A  1 
ATOM   139  C CA    . CYS    A  1  21  ? 17.865  -4.243  -9.857  1.00 89.26 21  A  1 
ATOM   140  C C     . CYS    A  1  21  ? 19.164  -3.442  -9.911  1.00 89.63 21  A  1 
ATOM   141  O O     . CYS    A  1  21  ? 20.176  -3.858  -9.353  1.00 88.04 21  A  1 
ATOM   142  C CB    . CYS    A  1  21  ? 17.729  -5.098  -11.114 1.00 87.94 21  A  1 
ATOM   143  S SG    . CYS    A  1  21  ? 16.535  -6.444  -10.946 1.00 83.77 21  A  1 
ATOM   144  N N     . MET    A  1  22  ? 19.119  -2.317  -10.573 1.00 87.97 22  A  1 
ATOM   145  C CA    . MET    A  1  22  ? 20.310  -1.476  -10.663 1.00 88.72 22  A  1 
ATOM   146  C C     . MET    A  1  22  ? 20.744  -0.998  -9.275  1.00 88.60 22  A  1 
ATOM   147  O O     . MET    A  1  22  ? 21.932  -1.026  -8.944  1.00 86.60 22  A  1 
ATOM   148  C CB    . MET    A  1  22  ? 20.047  -0.281  -11.579 1.00 88.10 22  A  1 
ATOM   149  C CG    . MET    A  1  22  ? 21.241  0.643   -11.749 1.00 84.76 22  A  1 
ATOM   150  S SD    . MET    A  1  22  ? 20.959  1.949   -12.963 1.00 84.61 22  A  1 
ATOM   151  C CE    . MET    A  1  22  ? 19.646  2.879   -12.178 1.00 76.26 22  A  1 
ATOM   152  N N     . LEU    A  1  23  ? 19.797  -0.573  -8.483  1.00 88.34 23  A  1 
ATOM   153  C CA    . LEU    A  1  23  ? 20.106  -0.105  -7.135  1.00 88.18 23  A  1 
ATOM   154  C C     . LEU    A  1  23  ? 20.621  -1.234  -6.245  1.00 88.06 23  A  1 
ATOM   155  O O     . LEU    A  1  23  ? 21.569  -1.049  -5.481  1.00 85.99 23  A  1 
ATOM   156  C CB    . LEU    A  1  23  ? 18.873  0.542   -6.509  1.00 87.20 23  A  1 
ATOM   157  C CG    . LEU    A  1  23  ? 18.454  1.873   -7.135  1.00 85.62 23  A  1 
ATOM   158  C CD1   . LEU    A  1  23  ? 17.050  2.255   -6.705  1.00 79.35 23  A  1 
ATOM   159  C CD2   . LEU    A  1  23  ? 19.441  2.966   -6.745  1.00 80.07 23  A  1 
ATOM   160  N N     . ILE    A  1  24  ? 20.001  -2.383  -6.353  1.00 88.40 24  A  1 
ATOM   161  C CA    . ILE    A  1  24  ? 20.435  -3.534  -5.564  1.00 87.95 24  A  1 
ATOM   162  C C     . ILE    A  1  24  ? 21.856  -3.936  -5.947  1.00 87.91 24  A  1 
ATOM   163  O O     . ILE    A  1  24  ? 22.696  -4.186  -5.081  1.00 86.48 24  A  1 
ATOM   164  C CB    . ILE    A  1  24  ? 19.469  -4.723  -5.743  1.00 86.77 24  A  1 
ATOM   165  C CG1   . ILE    A  1  24  ? 18.128  -4.406  -5.075  1.00 82.71 24  A  1 
ATOM   166  C CG2   . ILE    A  1  24  ? 20.068  -6.002  -5.163  1.00 81.84 24  A  1 
ATOM   167  C CD1   . ILE    A  1  24  ? 17.029  -5.402  -5.381  1.00 75.81 24  A  1 
ATOM   168  N N     . CYS    A  1  25  ? 22.116  -3.990  -7.229  1.00 89.54 25  A  1 
ATOM   169  C CA    . CYS    A  1  25  ? 23.451  -4.364  -7.688  1.00 89.14 25  A  1 
ATOM   170  C C     . CYS    A  1  25  ? 24.505  -3.357  -7.240  1.00 89.02 25  A  1 
ATOM   171  O O     . CYS    A  1  25  ? 25.616  -3.739  -6.881  1.00 86.58 25  A  1 
ATOM   172  C CB    . CYS    A  1  25  ? 23.473  -4.508  -9.204  1.00 87.91 25  A  1 
ATOM   173  S SG    . CYS    A  1  25  ? 22.604  -5.983  -9.774  1.00 77.18 25  A  1 
ATOM   174  N N     . TYR    A  1  26  ? 24.149  -2.099  -7.270  1.00 88.40 26  A  1 
ATOM   175  C CA    . TYR    A  1  26  ? 25.099  -1.080  -6.843  1.00 88.37 26  A  1 
ATOM   176  C C     . TYR    A  1  26  ? 25.437  -1.208  -5.358  1.00 87.80 26  A  1 
ATOM   177  O O     . TYR    A  1  26  ? 26.600  -1.099  -4.968  1.00 85.19 26  A  1 
ATOM   178  C CB    . TYR    A  1  26  ? 24.547  0.317   -7.124  1.00 88.13 26  A  1 
ATOM   179  C CG    . TYR    A  1  26  ? 25.469  1.422   -6.658  1.00 88.55 26  A  1 
ATOM   180  C CD1   . TYR    A  1  26  ? 26.708  1.611   -7.258  1.00 83.02 26  A  1 
ATOM   181  C CD2   . TYR    A  1  26  ? 25.107  2.266   -5.618  1.00 83.59 26  A  1 
ATOM   182  C CE1   . TYR    A  1  26  ? 27.560  2.613   -6.833  1.00 82.49 26  A  1 
ATOM   183  C CE2   . TYR    A  1  26  ? 25.954  3.275   -5.188  1.00 82.80 26  A  1 
ATOM   184  C CZ    . TYR    A  1  26  ? 27.178  3.445   -5.798  1.00 85.92 26  A  1 
ATOM   185  O OH    . TYR    A  1  26  ? 28.025  4.443   -5.377  1.00 84.63 26  A  1 
ATOM   186  N N     . THR    A  1  27  ? 24.436  -1.449  -4.551  1.00 87.01 27  A  1 
ATOM   187  C CA    . THR    A  1  27  ? 24.647  -1.502  -3.104  1.00 85.77 27  A  1 
ATOM   188  C C     . THR    A  1  27  ? 25.149  -2.851  -2.596  1.00 85.06 27  A  1 
ATOM   189  O O     . THR    A  1  27  ? 25.816  -2.907  -1.565  1.00 81.87 27  A  1 
ATOM   190  C CB    . THR    A  1  27  ? 23.358  -1.149  -2.348  1.00 84.41 27  A  1 
ATOM   191  O OG1   . THR    A  1  27  ? 22.323  -2.071  -2.696  1.00 74.92 27  A  1 
ATOM   192  C CG2   . THR    A  1  27  ? 22.911  0.267   -2.676  1.00 73.92 27  A  1 
ATOM   193  N N     . SER    A  1  28  ? 24.830  -3.917  -3.296  1.00 86.71 28  A  1 
ATOM   194  C CA    . SER    A  1  28  ? 25.199  -5.253  -2.826  1.00 85.38 28  A  1 
ATOM   195  C C     . SER    A  1  28  ? 26.183  -5.988  -3.733  1.00 85.15 28  A  1 
ATOM   196  O O     . SER    A  1  28  ? 26.697  -7.041  -3.357  1.00 80.81 28  A  1 
ATOM   197  C CB    . SER    A  1  28  ? 23.949  -6.113  -2.659  1.00 82.71 28  A  1 
ATOM   198  O OG    . SER    A  1  28  ? 23.408  -6.467  -3.911  1.00 73.25 28  A  1 
ATOM   199  N N     . ASN    A  1  29  ? 26.420  -5.449  -4.913  1.00 85.45 29  A  1 
ATOM   200  C CA    . ASN    A  1  29  ? 27.284  -6.098  -5.904  1.00 86.00 29  A  1 
ATOM   201  C C     . ASN    A  1  29  ? 26.786  -7.497  -6.259  1.00 86.47 29  A  1 
ATOM   202  O O     . ASN    A  1  29  ? 27.575  -8.410  -6.499  1.00 81.20 29  A  1 
ATOM   203  C CB    . ASN    A  1  29  ? 28.733  -6.160  -5.409  1.00 83.41 29  A  1 
ATOM   204  C CG    . ASN    A  1  29  ? 29.369  -4.789  -5.320  1.00 78.80 29  A  1 
ATOM   205  O OD1   . ASN    A  1  29  ? 29.172  -3.940  -6.185  1.00 68.52 29  A  1 
ATOM   206  N ND2   . ASN    A  1  29  ? 30.139  -4.568  -4.266  1.00 67.97 29  A  1 
ATOM   207  N N     . LYS    A  1  30  ? 25.476  -7.637  -6.289  1.00 86.32 30  A  1 
ATOM   208  C CA    . LYS    A  1  30  ? 24.878  -8.921  -6.620  1.00 86.21 30  A  1 
ATOM   209  C C     . LYS    A  1  30  ? 23.566  -8.708  -7.358  1.00 86.62 30  A  1 
ATOM   210  O O     . LYS    A  1  30  ? 22.753  -7.878  -6.963  1.00 82.59 30  A  1 
ATOM   211  C CB    . LYS    A  1  30  ? 24.645  -9.745  -5.354  1.00 82.82 30  A  1 
ATOM   212  C CG    . LYS    A  1  30  ? 24.064  -11.126 -5.609  1.00 74.00 30  A  1 
ATOM   213  C CD    . LYS    A  1  30  ? 23.881  -11.906 -4.320  1.00 68.71 30  A  1 
ATOM   214  C CE    . LYS    A  1  30  ? 23.294  -13.281 -4.593  1.00 59.17 30  A  1 
ATOM   215  N NZ    . LYS    A  1  30  ? 23.102  -14.066 -3.345  1.00 51.85 30  A  1 
ATOM   216  N N     . PHE    A  1  31  ? 23.380  -9.471  -8.421  1.00 85.99 31  A  1 
ATOM   217  C CA    . PHE    A  1  31  ? 22.142  -9.384  -9.182  1.00 86.33 31  A  1 
ATOM   218  C C     . PHE    A  1  31  ? 21.104  -10.312 -8.555  1.00 86.15 31  A  1 
ATOM   219  O O     . PHE    A  1  31  ? 21.362  -11.507 -8.406  1.00 81.46 31  A  1 
ATOM   220  C CB    . PHE    A  1  31  ? 22.394  -9.781  -10.636 1.00 83.58 31  A  1 
ATOM   221  C CG    . PHE    A  1  31  ? 21.189  -9.635  -11.524 1.00 83.19 31  A  1 
ATOM   222  C CD1   . PHE    A  1  31  ? 20.776  -8.386  -11.950 1.00 77.76 31  A  1 
ATOM   223  C CD2   . PHE    A  1  31  ? 20.478  -10.748 -11.937 1.00 77.60 31  A  1 
ATOM   224  C CE1   . PHE    A  1  31  ? 19.668  -8.247  -12.771 1.00 75.08 31  A  1 
ATOM   225  C CE2   . PHE    A  1  31  ? 19.367  -10.615 -12.759 1.00 74.88 31  A  1 
ATOM   226  C CZ    . PHE    A  1  31  ? 18.964  -9.362  -13.177 1.00 77.74 31  A  1 
ATOM   227  N N     . PRO    A  1  32  ? 19.951  -9.787  -8.201  1.00 84.51 32  A  1 
ATOM   228  C CA    . PRO    A  1  32  ? 18.933  -10.628 -7.564  1.00 83.79 32  A  1 
ATOM   229  C C     . PRO    A  1  32  ? 18.318  -11.612 -8.556  1.00 83.97 32  A  1 
ATOM   230  O O     . PRO    A  1  32  ? 17.833  -11.217 -9.612  1.00 79.39 32  A  1 
ATOM   231  C CB    . PRO    A  1  32  ? 17.901  -9.613  -7.076  1.00 80.38 32  A  1 
ATOM   232  C CG    . PRO    A  1  32  ? 18.046  -8.460  -8.004  1.00 78.83 32  A  1 
ATOM   233  C CD    . PRO    A  1  32  ? 19.513  -8.390  -8.327  1.00 82.46 32  A  1 
ATOM   234  N N     . THR    A  1  33  ? 18.337  -12.886 -8.196  1.00 83.66 33  A  1 
ATOM   235  C CA    . THR    A  1  33  ? 17.808  -13.925 -9.075  1.00 82.52 33  A  1 
ATOM   236  C C     . THR    A  1  33  ? 16.591  -14.636 -8.495  1.00 82.04 33  A  1 
ATOM   237  O O     . THR    A  1  33  ? 15.711  -15.058 -9.240  1.00 75.88 33  A  1 
ATOM   238  C CB    . THR    A  1  33  ? 18.879  -14.980 -9.386  1.00 78.50 33  A  1 
ATOM   239  O OG1   . THR    A  1  33  ? 19.406  -15.501 -8.162  1.00 70.78 33  A  1 
ATOM   240  C CG2   . THR    A  1  33  ? 20.009  -14.374 -10.202 1.00 68.33 33  A  1 
ATOM   241  N N     . ASP    A  1  34  ? 16.555  -14.779 -7.185  1.00 82.01 34  A  1 
ATOM   242  C CA    . ASP    A  1  34  ? 15.449  -15.495 -6.554  1.00 81.05 34  A  1 
ATOM   243  C C     . ASP    A  1  34  ? 14.254  -14.589 -6.282  1.00 80.57 34  A  1 
ATOM   244  O O     . ASP    A  1  34  ? 13.108  -14.973 -6.516  1.00 75.76 34  A  1 
ATOM   245  C CB    . ASP    A  1  34  ? 15.909  -16.136 -5.244  1.00 78.07 34  A  1 
ATOM   246  C CG    . ASP    A  1  34  ? 16.953  -17.215 -5.460  1.00 71.22 34  A  1 
ATOM   247  O OD1   . ASP    A  1  34  ? 17.044  -17.749 -6.582  1.00 64.06 34  A  1 
ATOM   248  O OD2   . ASP    A  1  34  ? 17.678  -17.532 -4.497  1.00 63.88 34  A  1 
ATOM   249  N N     . TYR    A  1  35  ? 14.541  -13.417 -5.792  1.00 80.79 35  A  1 
ATOM   250  C CA    . TYR    A  1  35  ? 13.475  -12.492 -5.440  1.00 79.53 35  A  1 
ATOM   251  C C     . TYR    A  1  35  ? 13.911  -11.060 -5.725  1.00 80.28 35  A  1 
ATOM   252  O O     . TYR    A  1  35  ? 15.003  -10.655 -5.341  1.00 76.37 35  A  1 
ATOM   253  C CB    . TYR    A  1  35  ? 13.109  -12.642 -3.964  1.00 75.25 35  A  1 
ATOM   254  C CG    . TYR    A  1  35  ? 12.143  -11.590 -3.474  1.00 70.33 35  A  1 
ATOM   255  C CD1   . TYR    A  1  35  ? 10.799  -11.641 -3.809  1.00 64.07 35  A  1 
ATOM   256  C CD2   . TYR    A  1  35  ? 12.580  -10.537 -2.685  1.00 63.72 35  A  1 
ATOM   257  C CE1   . TYR    A  1  35  ? 9.911   -10.677 -3.376  1.00 57.84 35  A  1 
ATOM   258  C CE2   . TYR    A  1  35  ? 11.697  -9.560  -2.245  1.00 58.46 35  A  1 
ATOM   259  C CZ    . TYR    A  1  35  ? 10.366  -9.636  -2.594  1.00 59.02 35  A  1 
ATOM   260  O OH    . TYR    A  1  35  ? 9.488   -8.670  -2.165  1.00 54.59 35  A  1 
ATOM   261  N N     . ILE    A  1  36  ? 13.038  -10.338 -6.388  1.00 80.36 36  A  1 
ATOM   262  C CA    . ILE    A  1  36  ? 13.301  -8.934  -6.678  1.00 79.90 36  A  1 
ATOM   263  C C     . ILE    A  1  36  ? 12.217  -8.107  -6.003  1.00 79.26 36  A  1 
ATOM   264  O O     . ILE    A  1  36  ? 11.045  -8.211  -6.369  1.00 74.72 36  A  1 
ATOM   265  C CB    . ILE    A  1  36  ? 13.298  -8.651  -8.190  1.00 77.31 36  A  1 
ATOM   266  C CG1   . ILE    A  1  36  ? 14.345  -9.516  -8.893  1.00 71.34 36  A  1 
ATOM   267  C CG2   . ILE    A  1  36  ? 13.557  -7.172  -8.448  1.00 69.15 36  A  1 
ATOM   268  C CD1   . ILE    A  1  36  ? 14.293  -9.434  -10.403 1.00 63.95 36  A  1 
ATOM   269  N N     . PRO    A  1  37  ? 12.585  -7.300  -5.034  1.00 80.56 37  A  1 
ATOM   270  C CA    . PRO    A  1  37  ? 11.574  -6.484  -4.364  1.00 78.80 37  A  1 
ATOM   271  C C     . PRO    A  1  37  ? 10.967  -5.460  -5.319  1.00 79.07 37  A  1 
ATOM   272  O O     . PRO    A  1  37  ? 11.619  -5.012  -6.260  1.00 75.43 37  A  1 
ATOM   273  C CB    . PRO    A  1  37  ? 12.352  -5.809  -3.236  1.00 75.15 37  A  1 
ATOM   274  C CG    . PRO    A  1  37  ? 13.761  -5.805  -3.702  1.00 73.30 37  A  1 
ATOM   275  C CD    . PRO    A  1  37  ? 13.926  -7.072  -4.486  1.00 76.80 37  A  1 
ATOM   276  N N     . THR    A  1  38  ? 9.728   -5.116  -5.070  1.00 78.98 38  A  1 
ATOM   277  C CA    . THR    A  1  38  ? 9.029   -4.157  -5.917  1.00 76.56 38  A  1 
ATOM   278  C C     . THR    A  1  38  ? 9.697   -2.788  -5.867  1.00 76.30 38  A  1 
ATOM   279  O O     . THR    A  1  38  ? 9.787   -2.094  -6.879  1.00 71.88 38  A  1 
ATOM   280  C CB    . THR    A  1  38  ? 7.564   -4.036  -5.484  1.00 72.18 38  A  1 
ATOM   281  O OG1   . THR    A  1  38  ? 6.924   -5.307  -5.605  1.00 64.40 38  A  1 
ATOM   282  C CG2   . THR    A  1  38  ? 6.828   -3.020  -6.343  1.00 62.56 38  A  1 
ATOM   283  N N     . VAL    A  1  39  ? 10.143  -2.431  -4.689  1.00 75.82 39  A  1 
ATOM   284  C CA    . VAL    A  1  39  ? 10.816  -1.151  -4.508  1.00 75.79 39  A  1 
ATOM   285  C C     . VAL    A  1  39  ? 12.038  -1.361  -3.619  1.00 76.63 39  A  1 
ATOM   286  O O     . VAL    A  1  39  ? 11.975  -2.082  -2.630  1.00 71.64 39  A  1 
ATOM   287  C CB    . VAL    A  1  39  ? 9.875   -0.113  -3.867  1.00 70.50 39  A  1 
ATOM   288  C CG1   . VAL    A  1  39  ? 10.617  1.184   -3.598  1.00 62.39 39  A  1 
ATOM   289  C CG2   . VAL    A  1  39  ? 8.674   0.141   -4.764  1.00 63.26 39  A  1 
ATOM   290  N N     . PHE    A  1  40  ? 13.114  -0.731  -3.995  1.00 77.56 40  A  1 
ATOM   291  C CA    . PHE    A  1  40  ? 14.347  -0.796  -3.222  1.00 77.46 40  A  1 
ATOM   292  C C     . PHE    A  1  40  ? 14.232  0.112   -1.995  1.00 78.67 40  A  1 
ATOM   293  O O     . PHE    A  1  40  ? 13.795  1.250   -2.110  1.00 73.40 40  A  1 
ATOM   294  C CB    . PHE    A  1  40  ? 15.494  -0.347  -4.130  1.00 73.55 40  A  1 
ATOM   295  C CG    . PHE    A  1  40  ? 16.834  -0.277  -3.460  1.00 72.57 40  A  1 
ATOM   296  C CD1   . PHE    A  1  40  ? 17.584  -1.422  -3.264  1.00 66.25 40  A  1 
ATOM   297  C CD2   . PHE    A  1  40  ? 17.356  0.940   -3.062  1.00 66.60 40  A  1 
ATOM   298  C CE1   . PHE    A  1  40  ? 18.830  -1.354  -2.670  1.00 62.61 40  A  1 
ATOM   299  C CE2   . PHE    A  1  40  ? 18.602  1.015   -2.464  1.00 62.24 40  A  1 
ATOM   300  C CZ    . PHE    A  1  40  ? 19.342  -0.133  -2.269  1.00 66.07 40  A  1 
ATOM   301  N N     . ASP    A  1  41  ? 14.631  -0.410  -0.855  1.00 79.54 41  A  1 
ATOM   302  C CA    . ASP    A  1  41  ? 14.589  0.392   0.363   1.00 78.30 41  A  1 
ATOM   303  C C     . ASP    A  1  41  ? 15.576  1.546   0.267   1.00 79.01 41  A  1 
ATOM   304  O O     . ASP    A  1  41  ? 16.673  1.385   -0.264  1.00 74.07 41  A  1 
ATOM   305  C CB    . ASP    A  1  41  ? 14.948  -0.451  1.580   1.00 74.37 41  A  1 
ATOM   306  C CG    . ASP    A  1  41  ? 13.756  -1.200  2.136   1.00 69.53 41  A  1 
ATOM   307  O OD1   . ASP    A  1  41  ? 12.649  -0.628  2.167   1.00 62.17 41  A  1 
ATOM   308  O OD2   . ASP    A  1  41  ? 13.937  -2.357  2.560   1.00 62.11 41  A  1 
ATOM   309  N N     . ASN    A  1  42  ? 15.181  2.677   0.806   1.00 81.26 42  A  1 
ATOM   310  C CA    . ASN    A  1  42  ? 16.092  3.808   0.832   1.00 80.44 42  A  1 
ATOM   311  C C     . ASN    A  1  42  ? 17.400  3.380   1.485   1.00 80.82 42  A  1 
ATOM   312  O O     . ASN    A  1  42  ? 17.402  2.689   2.501   1.00 75.21 42  A  1 
ATOM   313  C CB    . ASN    A  1  42  ? 15.483  4.979   1.595   1.00 75.85 42  A  1 
ATOM   314  C CG    . ASN    A  1  42  ? 14.334  5.623   0.845   1.00 69.37 42  A  1 
ATOM   315  O OD1   . ASN    A  1  42  ? 14.021  5.259   -0.287  1.00 60.49 42  A  1 
ATOM   316  N ND2   . ASN    A  1  42  ? 13.701  6.596   1.484   1.00 63.05 42  A  1 
ATOM   317  N N     . PHE    A  1  43  ? 18.478  3.798   0.884   1.00 82.98 43  A  1 
ATOM   318  C CA    . PHE    A  1  43  ? 19.793  3.366   1.319   1.00 83.08 43  A  1 
ATOM   319  C C     . PHE    A  1  43  ? 20.709  4.573   1.445   1.00 84.29 43  A  1 
ATOM   320  O O     . PHE    A  1  43  ? 20.583  5.536   0.694   1.00 80.30 43  A  1 
ATOM   321  C CB    . PHE    A  1  43  ? 20.357  2.371   0.301   1.00 78.96 43  A  1 
ATOM   322  C CG    . PHE    A  1  43  ? 21.715  1.832   0.642   1.00 74.42 43  A  1 
ATOM   323  C CD1   . PHE    A  1  43  ? 21.847  0.722   1.455   1.00 68.19 43  A  1 
ATOM   324  C CD2   . PHE    A  1  43  ? 22.856  2.426   0.135   1.00 66.43 43  A  1 
ATOM   325  C CE1   . PHE    A  1  43  ? 23.096  0.212   1.758   1.00 61.81 43  A  1 
ATOM   326  C CE2   . PHE    A  1  43  ? 24.113  1.925   0.436   1.00 60.41 43  A  1 
ATOM   327  C CZ    . PHE    A  1  43  ? 24.232  0.815   1.249   1.00 60.74 43  A  1 
ATOM   328  N N     . SER    A  1  44  ? 21.622  4.499   2.388   1.00 80.87 44  A  1 
ATOM   329  C CA    . SER    A  1  44  ? 22.571  5.583   2.582   1.00 80.65 44  A  1 
ATOM   330  C C     . SER    A  1  44  ? 23.939  5.007   2.902   1.00 81.21 44  A  1 
ATOM   331  O O     . SER    A  1  44  ? 24.054  4.073   3.693   1.00 77.49 44  A  1 
ATOM   332  C CB    . SER    A  1  44  ? 22.110  6.500   3.708   1.00 76.86 44  A  1 
ATOM   333  O OG    . SER    A  1  44  ? 22.998  7.576   3.886   1.00 65.68 44  A  1 
ATOM   334  N N     . ALA    A  1  45  ? 24.959  5.560   2.276   1.00 83.01 45  A  1 
ATOM   335  C CA    . ALA    A  1  45  ? 26.309  5.076   2.509   1.00 82.73 45  A  1 
ATOM   336  C C     . ALA    A  1  45  ? 27.331  6.128   2.116   1.00 84.09 45  A  1 
ATOM   337  O O     . ALA    A  1  45  ? 27.056  7.009   1.302   1.00 81.09 45  A  1 
ATOM   338  C CB    . ALA    A  1  45  ? 26.562  3.798   1.730   1.00 79.17 45  A  1 
ATOM   339  N N     . ASN    A  1  46  ? 28.507  6.014   2.695   1.00 85.09 46  A  1 
ATOM   340  C CA    . ASN    A  1  46  ? 29.597  6.907   2.338   1.00 84.85 46  A  1 
ATOM   341  C C     . ASN    A  1  46  ? 30.280  6.386   1.083   1.00 85.02 46  A  1 
ATOM   342  O O     . ASN    A  1  46  ? 30.627  5.210   1.000   1.00 81.64 46  A  1 
ATOM   343  C CB    . ASN    A  1  46  ? 30.596  7.010   3.481   1.00 82.47 46  A  1 
ATOM   344  C CG    . ASN    A  1  46  ? 30.022  7.729   4.682   1.00 78.96 46  A  1 
ATOM   345  O OD1   . ASN    A  1  46  ? 29.304  8.716   4.547   1.00 69.40 46  A  1 
ATOM   346  N ND2   . ASN    A  1  46  ? 30.333  7.234   5.871   1.00 70.64 46  A  1 
ATOM   347  N N     . VAL    A  1  47  ? 30.457  7.269   0.124   1.00 85.60 47  A  1 
ATOM   348  C CA    . VAL    A  1  47  ? 31.055  6.898   -1.153  1.00 85.44 47  A  1 
ATOM   349  C C     . VAL    A  1  47  ? 32.186  7.864   -1.481  1.00 85.49 47  A  1 
ATOM   350  O O     . VAL    A  1  47  ? 32.060  9.069   -1.286  1.00 82.76 47  A  1 
ATOM   351  C CB    . VAL    A  1  47  ? 30.010  6.927   -2.281  1.00 83.62 47  A  1 
ATOM   352  C CG1   . VAL    A  1  47  ? 30.639  6.530   -3.609  1.00 74.27 47  A  1 
ATOM   353  C CG2   . VAL    A  1  47  ? 28.844  6.005   -1.953  1.00 75.21 47  A  1 
ATOM   354  N N     . ALA    A  1  48  ? 33.278  7.315   -1.984  1.00 85.14 48  A  1 
ATOM   355  C CA    . ALA    A  1  48  ? 34.417  8.134   -2.371  1.00 84.80 48  A  1 
ATOM   356  C C     . ALA    A  1  48  ? 34.427  8.347   -3.877  1.00 84.73 48  A  1 
ATOM   357  O O     . ALA    A  1  48  ? 34.416  7.388   -4.646  1.00 81.29 48  A  1 
ATOM   358  C CB    . ALA    A  1  48  ? 35.717  7.475   -1.923  1.00 82.37 48  A  1 
ATOM   359  N N     . VAL    A  1  49  ? 34.445  9.606   -4.276  1.00 82.92 49  A  1 
ATOM   360  C CA    . VAL    A  1  49  ? 34.497  9.962   -5.690  1.00 82.42 49  A  1 
ATOM   361  C C     . VAL    A  1  49  ? 35.467  11.125  -5.853  1.00 82.26 49  A  1 
ATOM   362  O O     . VAL    A  1  49  ? 35.314  12.162  -5.214  1.00 78.90 49  A  1 
ATOM   363  C CB    . VAL    A  1  49  ? 33.114  10.360  -6.232  1.00 80.01 49  A  1 
ATOM   364  C CG1   . VAL    A  1  49  ? 33.225  10.784  -7.689  1.00 70.96 49  A  1 
ATOM   365  C CG2   . VAL    A  1  49  ? 32.134  9.207   -6.096  1.00 72.10 49  A  1 
ATOM   366  N N     . ASP    A  1  50  ? 36.454  10.930  -6.707  1.00 80.57 50  A  1 
ATOM   367  C CA    . ASP    A  1  50  ? 37.466  11.959  -6.953  1.00 80.38 50  A  1 
ATOM   368  C C     . ASP    A  1  50  ? 38.120  12.454  -5.663  1.00 80.63 50  A  1 
ATOM   369  O O     . ASP    A  1  50  ? 38.378  13.643  -5.491  1.00 74.85 50  A  1 
ATOM   370  C CB    . ASP    A  1  50  ? 36.862  13.140  -7.722  1.00 77.38 50  A  1 
ATOM   371  C CG    . ASP    A  1  50  ? 36.449  12.771  -9.133  1.00 72.01 50  A  1 
ATOM   372  O OD1   . ASP    A  1  50  ? 36.880  11.710  -9.628  1.00 64.21 50  A  1 
ATOM   373  O OD2   . ASP    A  1  50  ? 35.696  13.548  -9.749  1.00 64.46 50  A  1 
ATOM   374  N N     . GLY    A  1  51  ? 38.378  11.523  -4.769  1.00 82.31 51  A  1 
ATOM   375  C CA    . GLY    A  1  51  ? 39.038  11.869  -3.520  1.00 81.54 51  A  1 
ATOM   376  C C     . GLY    A  1  51  ? 38.149  12.513  -2.473  1.00 82.44 51  A  1 
ATOM   377  O O     . GLY    A  1  51  ? 38.614  12.827  -1.382  1.00 78.06 51  A  1 
ATOM   378  N N     . GLN    A  1  52  ? 36.890  12.704  -2.799  1.00 83.72 52  A  1 
ATOM   379  C CA    . GLN    A  1  52  ? 35.952  13.295  -1.854  1.00 83.61 52  A  1 
ATOM   380  C C     . GLN    A  1  52  ? 35.005  12.235  -1.312  1.00 84.42 52  A  1 
ATOM   381  O O     . GLN    A  1  52  ? 34.532  11.380  -2.058  1.00 81.17 52  A  1 
ATOM   382  C CB    . GLN    A  1  52  ? 35.147  14.408  -2.512  1.00 80.38 52  A  1 
ATOM   383  C CG    . GLN    A  1  52  ? 35.976  15.608  -2.931  1.00 71.99 52  A  1 
ATOM   384  C CD    . GLN    A  1  52  ? 35.131  16.720  -3.512  1.00 68.50 52  A  1 
ATOM   385  O OE1   . GLN    A  1  52  ? 34.104  16.470  -4.137  1.00 61.75 52  A  1 
ATOM   386  N NE2   . GLN    A  1  52  ? 35.556  17.956  -3.313  1.00 59.32 52  A  1 
ATOM   387  N N     . ILE    A  1  53  ? 34.738  12.313  -0.021  1.00 85.19 53  A  1 
ATOM   388  C CA    . ILE    A  1  53  ? 33.796  11.388  0.599   1.00 85.11 53  A  1 
ATOM   389  C C     . ILE    A  1  53  ? 32.449  12.084  0.736   1.00 85.42 53  A  1 
ATOM   390  O O     . ILE    A  1  53  ? 32.359  13.162  1.321   1.00 81.78 53  A  1 
ATOM   391  C CB    . ILE    A  1  53  ? 34.271  10.935  1.992   1.00 82.51 53  A  1 
ATOM   392  C CG1   . ILE    A  1  53  ? 35.688  10.348  1.924   1.00 72.60 53  A  1 
ATOM   393  C CG2   . ILE    A  1  53  ? 33.294  9.926   2.584   1.00 69.39 53  A  1 
ATOM   394  C CD1   . ILE    A  1  53  ? 35.807  9.103   1.081   1.00 62.88 53  A  1 
ATOM   395  N N     . VAL    A  1  54  ? 31.423  11.459  0.198   1.00 85.27 54  A  1 
ATOM   396  C CA    . VAL    A  1  54  ? 30.079  12.006  0.320   1.00 85.75 54  A  1 
ATOM   397  C C     . VAL    A  1  54  ? 29.152  10.936  0.867   1.00 85.84 54  A  1 
ATOM   398  O O     . VAL    A  1  54  ? 29.408  9.744   0.718   1.00 83.62 54  A  1 
ATOM   399  C CB    . VAL    A  1  54  ? 29.526  12.515  -1.025  1.00 84.19 54  A  1 
ATOM   400  C CG1   . VAL    A  1  54  ? 30.442  13.576  -1.608  1.00 74.14 54  A  1 
ATOM   401  C CG2   . VAL    A  1  54  ? 29.341  11.368  -2.007  1.00 75.27 54  A  1 
ATOM   402  N N     . ASN    A  1  55  ? 28.085  11.383  1.492   1.00 88.05 55  A  1 
ATOM   403  C CA    . ASN    A  1  55  ? 27.074  10.457  1.978   1.00 88.45 55  A  1 
ATOM   404  C C     . ASN    A  1  55  ? 25.986  10.387  0.917   1.00 88.65 55  A  1 
ATOM   405  O O     . ASN    A  1  55  ? 25.272  11.364  0.690   1.00 86.06 55  A  1 
ATOM   406  C CB    . ASN    A  1  55  ? 26.513  10.934  3.311   1.00 86.08 55  A  1 
ATOM   407  C CG    . ASN    A  1  55  ? 25.657  9.886   3.984   1.00 79.45 55  A  1 
ATOM   408  O OD1   . ASN    A  1  55  ? 24.462  9.789   3.729   1.00 68.66 55  A  1 
ATOM   409  N ND2   . ASN    A  1  55  ? 26.272  9.084   4.834   1.00 69.48 55  A  1 
ATOM   410  N N     . LEU    A  1  56  ? 25.887  9.244   0.264   1.00 87.70 56  A  1 
ATOM   411  C CA    . LEU    A  1  56  ? 24.946  9.076   -0.835  1.00 88.63 56  A  1 
ATOM   412  C C     . LEU    A  1  56  ? 23.671  8.386   -0.380  1.00 88.26 56  A  1 
ATOM   413  O O     . LEU    A  1  56  ? 23.712  7.273   0.138   1.00 85.48 56  A  1 
ATOM   414  C CB    . LEU    A  1  56  ? 25.592  8.261   -1.954  1.00 87.55 56  A  1 
ATOM   415  C CG    . LEU    A  1  56  ? 24.717  7.964   -3.177  1.00 86.64 56  A  1 
ATOM   416  C CD1   . LEU    A  1  56  ? 24.376  9.245   -3.911  1.00 79.22 56  A  1 
ATOM   417  C CD2   . LEU    A  1  56  ? 25.428  6.993   -4.108  1.00 79.95 56  A  1 
ATOM   418  N N     . GLY    A  1  57  ? 22.548  9.056   -0.599  1.00 90.17 57  A  1 
ATOM   419  C CA    . GLY    A  1  57  ? 21.254  8.479   -0.307  1.00 90.18 57  A  1 
ATOM   420  C C     . GLY    A  1  57  ? 20.596  8.062   -1.605  1.00 90.62 57  A  1 
ATOM   421  O O     . GLY    A  1  57  ? 20.575  8.829   -2.563  1.00 88.20 57  A  1 
ATOM   422  N N     . LEU    A  1  58  ? 20.069  6.844   -1.630  1.00 88.38 58  A  1 
ATOM   423  C CA    . LEU    A  1  58  ? 19.439  6.312   -2.832  1.00 88.24 58  A  1 
ATOM   424  C C     . LEU    A  1  58  ? 17.952  6.065   -2.610  1.00 87.57 58  A  1 
ATOM   425  O O     . LEU    A  1  58  ? 17.572  5.358   -1.678  1.00 84.10 58  A  1 
ATOM   426  C CB    . LEU    A  1  58  ? 20.110  5.005   -3.250  1.00 86.76 58  A  1 
ATOM   427  C CG    . LEU    A  1  58  ? 21.600  5.086   -3.584  1.00 85.16 58  A  1 
ATOM   428  C CD1   . LEU    A  1  58  ? 22.170  3.694   -3.801  1.00 79.26 58  A  1 
ATOM   429  C CD2   . LEU    A  1  58  ? 21.818  5.943   -4.821  1.00 80.51 58  A  1 
ATOM   430  N N     . TRP    A  1  59  ? 17.136  6.626   -3.487  1.00 89.60 59  A  1 
ATOM   431  C CA    . TRP    A  1  59  ? 15.688  6.460   -3.437  1.00 89.28 59  A  1 
ATOM   432  C C     . TRP    A  1  59  ? 15.213  5.755   -4.693  1.00 88.65 59  A  1 
ATOM   433  O O     . TRP    A  1  59  ? 15.613  6.116   -5.801  1.00 84.04 59  A  1 
ATOM   434  C CB    . TRP    A  1  59  ? 14.986  7.815   -3.358  1.00 87.53 59  A  1 
ATOM   435  C CG    . TRP    A  1  59  ? 14.795  8.372   -1.984  1.00 85.23 59  A  1 
ATOM   436  C CD1   . TRP    A  1  59  ? 13.612  8.490   -1.314  1.00 73.79 59  A  1 
ATOM   437  C CD2   . TRP    A  1  59  ? 15.795  8.913   -1.112  1.00 80.82 59  A  1 
ATOM   438  N NE1   . TRP    A  1  59  ? 13.813  9.065   -0.087  1.00 74.53 59  A  1 
ATOM   439  C CE2   . TRP    A  1  59  ? 15.143  9.336   0.071   1.00 78.28 59  A  1 
ATOM   440  C CE3   . TRP    A  1  59  ? 17.181  9.086   -1.204  1.00 73.82 59  A  1 
ATOM   441  C CZ2   . TRP    A  1  59  ? 15.831  9.914   1.139   1.00 76.89 59  A  1 
ATOM   442  C CZ3   . TRP    A  1  59  ? 17.863  9.658   -0.134  1.00 67.22 59  A  1 
ATOM   443  C CH2   . TRP    A  1  59  ? 17.189  10.064  1.014   1.00 69.75 59  A  1 
ATOM   444  N N     . ASP    A  1  60  ? 14.345  4.782   -4.506  1.00 85.87 60  A  1 
ATOM   445  C CA    . ASP    A  1  60  ? 13.725  4.090   -5.622  1.00 85.22 60  A  1 
ATOM   446  C C     . ASP    A  1  60  ? 12.295  4.602   -5.769  1.00 85.01 60  A  1 
ATOM   447  O O     . ASP    A  1  60  ? 11.727  5.144   -4.825  1.00 80.03 60  A  1 
ATOM   448  C CB    . ASP    A  1  60  ? 13.730  2.579   -5.381  1.00 82.65 60  A  1 
ATOM   449  C CG    . ASP    A  1  60  ? 13.462  1.768   -6.642  1.00 81.30 60  A  1 
ATOM   450  O OD1   . ASP    A  1  60  ? 13.343  2.366   -7.731  1.00 74.40 60  A  1 
ATOM   451  O OD2   . ASP    A  1  60  ? 13.387  0.526   -6.541  1.00 75.65 60  A  1 
ATOM   452  N N     . THR    A  1  61  ? 11.730  4.425   -6.948  1.00 86.16 61  A  1 
ATOM   453  C CA    . THR    A  1  61  ? 10.350  4.834   -7.195  1.00 84.89 61  A  1 
ATOM   454  C C     . THR    A  1  61  ? 9.669   3.784   -8.059  1.00 83.38 61  A  1 
ATOM   455  O O     . THR    A  1  61  ? 10.330  2.958   -8.686  1.00 76.99 61  A  1 
ATOM   456  C CB    . THR    A  1  61  ? 10.257  6.190   -7.917  1.00 82.83 61  A  1 
ATOM   457  O OG1   . THR    A  1  61  ? 10.862  6.091   -9.210  1.00 73.22 61  A  1 
ATOM   458  C CG2   . THR    A  1  61  ? 10.934  7.296   -7.120  1.00 72.07 61  A  1 
ATOM   459  N N     . ALA    A  1  62  ? 8.354   3.835   -8.088  1.00 83.68 62  A  1 
ATOM   460  C CA    . ALA    A  1  62  ? 7.592   2.922   -8.929  1.00 81.51 62  A  1 
ATOM   461  C C     . ALA    A  1  62  ? 7.350   3.576   -10.283 1.00 81.06 62  A  1 
ATOM   462  O O     . ALA    A  1  62  ? 6.920   4.727   -10.349 1.00 74.14 62  A  1 
ATOM   463  C CB    . ALA    A  1  62  ? 6.268   2.573   -8.265  1.00 76.56 62  A  1 
ATOM   464  N N     . GLY    A  1  63  ? 7.629   2.842   -11.337 1.00 80.03 63  A  1 
ATOM   465  C CA    . GLY    A  1  63  ? 7.483   3.392   -12.676 1.00 78.46 63  A  1 
ATOM   466  C C     . GLY    A  1  63  ? 6.080   3.353   -13.245 1.00 80.02 63  A  1 
ATOM   467  O O     . GLY    A  1  63  ? 5.767   4.101   -14.170 1.00 74.28 63  A  1 
ATOM   468  N N     . GLN    A  1  64  ? 5.246   2.494   -12.712 1.00 81.24 64  A  1 
ATOM   469  C CA    . GLN    A  1  64  ? 3.885   2.342   -13.217 1.00 81.02 64  A  1 
ATOM   470  C C     . GLN    A  1  64  ? 3.039   3.588   -12.968 1.00 82.05 64  A  1 
ATOM   471  O O     . GLN    A  1  64  ? 3.226   4.300   -11.983 1.00 77.63 64  A  1 
ATOM   472  C CB    . GLN    A  1  64  ? 3.205   1.133   -12.575 1.00 77.49 64  A  1 
ATOM   473  C CG    . GLN    A  1  64  ? 3.762   -0.221  -12.997 1.00 70.91 64  A  1 
ATOM   474  C CD    . GLN    A  1  64  ? 5.037   -0.601  -12.277 1.00 65.89 64  A  1 
ATOM   475  O OE1   . GLN    A  1  64  ? 5.543   0.138   -11.434 1.00 60.34 64  A  1 
ATOM   476  N NE2   . GLN    A  1  64  ? 5.571   -1.776  -12.603 1.00 56.25 64  A  1 
ATOM   477  N N     . GLU    A  1  65  ? 2.098   3.815   -13.860 1.00 80.56 65  A  1 
ATOM   478  C CA    . GLU    A  1  65  ? 1.196   4.961   -13.725 1.00 79.22 65  A  1 
ATOM   479  C C     . GLU    A  1  65  ? 0.371   4.904   -12.446 1.00 79.95 65  A  1 
ATOM   480  O O     . GLU    A  1  65  ? -0.061  5.936   -11.945 1.00 75.03 65  A  1 
ATOM   481  C CB    . GLU    A  1  65  ? 0.244   5.039   -14.913 1.00 75.87 65  A  1 
ATOM   482  C CG    . GLU    A  1  65  ? 0.886   5.537   -16.182 1.00 68.17 65  A  1 
ATOM   483  C CD    . GLU    A  1  65  ? -0.142  5.796   -17.264 1.00 61.90 65  A  1 
ATOM   484  O OE1   . GLU    A  1  65  ? -0.034  5.182   -18.335 1.00 56.05 65  A  1 
ATOM   485  O OE2   . GLU    A  1  65  ? -1.055  6.607   -17.029 1.00 54.89 65  A  1 
ATOM   486  N N     . ASP    A  1  66  ? 0.170   3.710   -11.941 1.00 79.83 66  A  1 
ATOM   487  C CA    . ASP    A  1  66  ? -0.611  3.534   -10.717 1.00 79.62 66  A  1 
ATOM   488  C C     . ASP    A  1  66  ? -0.056  4.353   -9.553  1.00 80.44 66  A  1 
ATOM   489  O O     . ASP    A  1  66  ? -0.791  4.688   -8.628  1.00 76.49 66  A  1 
ATOM   490  C CB    . ASP    A  1  66  ? -0.646  2.063   -10.309 1.00 76.35 66  A  1 
ATOM   491  C CG    . ASP    A  1  66  ? -1.384  1.189   -11.305 1.00 69.82 66  A  1 
ATOM   492  O OD1   . ASP    A  1  66  ? -2.049  1.735   -12.208 1.00 62.92 66  A  1 
ATOM   493  O OD2   . ASP    A  1  66  ? -1.295  -0.046  -11.176 1.00 62.78 66  A  1 
ATOM   494  N N     . TYR    A  1  67  ? 1.226   4.652   -9.611  1.00 79.72 67  A  1 
ATOM   495  C CA    . TYR    A  1  67  ? 1.882   5.356   -8.517  1.00 80.07 67  A  1 
ATOM   496  C C     . TYR    A  1  67  ? 2.299   6.779   -8.876  1.00 81.32 67  A  1 
ATOM   497  O O     . TYR    A  1  67  ? 3.104   7.388   -8.173  1.00 77.40 67  A  1 
ATOM   498  C CB    . TYR    A  1  67  ? 3.084   4.544   -8.044  1.00 77.02 67  A  1 
ATOM   499  C CG    . TYR    A  1  67  ? 2.688   3.145   -7.642  1.00 73.72 67  A  1 
ATOM   500  C CD1   . TYR    A  1  67  ? 1.953   2.923   -6.488  1.00 68.68 67  A  1 
ATOM   501  C CD2   . TYR    A  1  67  ? 3.006   2.052   -8.436  1.00 67.39 67  A  1 
ATOM   502  C CE1   . TYR    A  1  67  ? 1.551   1.650   -6.129  1.00 64.64 67  A  1 
ATOM   503  C CE2   . TYR    A  1  67  ? 2.608   0.771   -8.081  1.00 63.46 67  A  1 
ATOM   504  C CZ    . TYR    A  1  67  ? 1.883   0.578   -6.926  1.00 64.75 67  A  1 
ATOM   505  O OH    . TYR    A  1  67  ? 1.484   -0.690  -6.568  1.00 61.17 67  A  1 
ATOM   506  N N     . SER    A  1  68  ? 1.742   7.302   -9.935  1.00 84.76 68  A  1 
ATOM   507  C CA    . SER    A  1  68  ? 2.091   8.646   -10.373 1.00 84.24 68  A  1 
ATOM   508  C C     . SER    A  1  68  ? 1.754   9.707   -9.331  1.00 84.86 68  A  1 
ATOM   509  O O     . SER    A  1  68  ? 2.405   10.747  -9.272  1.00 81.42 68  A  1 
ATOM   510  C CB    . SER    A  1  68  ? 1.388   8.978   -11.687 1.00 82.19 68  A  1 
ATOM   511  O OG    . SER    A  1  68  ? -0.013  8.969   -11.525 1.00 71.75 68  A  1 
ATOM   512  N N     . ARG    A  1  69  ? 0.763   9.436   -8.523  1.00 84.58 69  A  1 
ATOM   513  C CA    . ARG    A  1  69  ? 0.363   10.392  -7.498  1.00 84.46 69  A  1 
ATOM   514  C C     . ARG    A  1  69  ? 1.248   10.326  -6.259  1.00 85.28 69  A  1 
ATOM   515  O O     . ARG    A  1  69  ? 1.291   11.272  -5.475  1.00 81.53 69  A  1 
ATOM   516  C CB    . ARG    A  1  69  ? -1.091  10.153  -7.112  1.00 82.29 69  A  1 
ATOM   517  C CG    . ARG    A  1  69  ? -2.068  10.406  -8.248  1.00 75.12 69  A  1 
ATOM   518  C CD    . ARG    A  1  69  ? -3.449  9.881   -7.922  1.00 72.15 69  A  1 
ATOM   519  N NE    . ARG    A  1  69  ? -4.033  10.551  -6.771  1.00 63.22 69  A  1 
ATOM   520  C CZ    . ARG    A  1  69  ? -5.143  10.152  -6.157  1.00 57.32 69  A  1 
ATOM   521  N NH1   . ARG    A  1  69  ? -5.798  9.083   -6.584  1.00 51.49 69  A  1 
ATOM   522  N NH2   . ARG    A  1  69  ? -5.599  10.822  -5.110  1.00 50.54 69  A  1 
ATOM   523  N N     . LEU    A  1  70  ? 1.937   9.220   -6.094  1.00 83.99 70  A  1 
ATOM   524  C CA    . LEU    A  1  70  ? 2.787   9.026   -4.921  1.00 83.97 70  A  1 
ATOM   525  C C     . LEU    A  1  70  ? 4.256   9.314   -5.210  1.00 84.19 70  A  1 
ATOM   526  O O     . LEU    A  1  70  ? 4.990   9.785   -4.338  1.00 80.45 70  A  1 
ATOM   527  C CB    . LEU    A  1  70  ? 2.656   7.590   -4.413  1.00 81.49 70  A  1 
ATOM   528  C CG    . LEU    A  1  70  ? 1.261   7.137   -3.986  1.00 76.46 70  A  1 
ATOM   529  C CD1   . LEU    A  1  70  ? 1.267   5.656   -3.659  1.00 70.24 70  A  1 
ATOM   530  C CD2   . LEU    A  1  70  ? 0.784   7.946   -2.791  1.00 69.47 70  A  1 
ATOM   531  N N     . ARG    A  1  71  ? 4.657   9.015   -6.401  1.00 83.61 71  A  1 
ATOM   532  C CA    . ARG    A  1  71  ? 6.053   9.132   -6.816  1.00 83.94 71  A  1 
ATOM   533  C C     . ARG    A  1  71  ? 6.704   10.492  -6.492  1.00 84.33 71  A  1 
ATOM   534  O O     . ARG    A  1  71  ? 7.821   10.526  -5.979  1.00 82.05 71  A  1 
ATOM   535  C CB    . ARG    A  1  71  ? 6.133   8.846   -8.314  1.00 82.00 71  A  1 
ATOM   536  C CG    . ARG    A  1  71  ? 7.477   8.398   -8.797  1.00 76.73 71  A  1 
ATOM   537  C CD    . ARG    A  1  71  ? 7.449   8.195   -10.301 1.00 77.73 71  A  1 
ATOM   538  N NE    . ARG    A  1  71  ? 6.421   7.234   -10.704 1.00 75.63 71  A  1 
ATOM   539  C CZ    . ARG    A  1  71  ? 5.389   7.497   -11.506 1.00 76.28 71  A  1 
ATOM   540  N NH1   . ARG    A  1  71  ? 5.210   8.710   -12.016 1.00 67.38 71  A  1 
ATOM   541  N NH2   . ARG    A  1  71  ? 4.527   6.540   -11.808 1.00 70.67 71  A  1 
ATOM   542  N N     . PRO    A  1  72  ? 6.017   11.592  -6.777  1.00 86.39 72  A  1 
ATOM   543  C CA    . PRO    A  1  72  ? 6.651   12.896  -6.507  1.00 86.82 72  A  1 
ATOM   544  C C     . PRO    A  1  72  ? 6.995   13.146  -5.044  1.00 87.21 72  A  1 
ATOM   545  O O     . PRO    A  1  72  ? 7.790   14.041  -4.751  1.00 84.38 72  A  1 
ATOM   546  C CB    . PRO    A  1  72  ? 5.603   13.898  -6.993  1.00 84.87 72  A  1 
ATOM   547  C CG    . PRO    A  1  72  ? 4.843   13.156  -8.031  1.00 82.59 72  A  1 
ATOM   548  C CD    . PRO    A  1  72  ? 4.768   11.749  -7.517  1.00 85.77 72  A  1 
ATOM   549  N N     . LEU    A  1  73  ? 6.440   12.365  -4.154  1.00 86.34 73  A  1 
ATOM   550  C CA    . LEU    A  1  73  ? 6.765   12.517  -2.741  1.00 85.84 73  A  1 
ATOM   551  C C     . LEU    A  1  73  ? 8.246   12.238  -2.486  1.00 85.93 73  A  1 
ATOM   552  O O     . LEU    A  1  73  ? 8.816   12.746  -1.524  1.00 82.62 73  A  1 
ATOM   553  C CB    . LEU    A  1  73  ? 5.912   11.579  -1.887  1.00 84.42 73  A  1 
ATOM   554  C CG    . LEU    A  1  73  ? 4.400   11.832  -1.903  1.00 80.97 73  A  1 
ATOM   555  C CD1   . LEU    A  1  73  ? 3.676   10.749  -1.128  1.00 74.26 73  A  1 
ATOM   556  C CD2   . LEU    A  1  73  ? 4.084   13.204  -1.325  1.00 74.03 73  A  1 
ATOM   557  N N     . SER    A  1  74  ? 8.842   11.433  -3.343  1.00 85.86 74  A  1 
ATOM   558  C CA    . SER    A  1  74  ? 10.259  11.109  -3.205  1.00 85.37 74  A  1 
ATOM   559  C C     . SER    A  1  74  ? 11.168  12.188  -3.791  1.00 85.96 74  A  1 
ATOM   560  O O     . SER    A  1  74  ? 12.378  12.156  -3.576  1.00 83.20 74  A  1 
ATOM   561  C CB    . SER    A  1  74  ? 10.569  9.773   -3.880  1.00 83.43 74  A  1 
ATOM   562  O OG    . SER    A  1  74  ? 9.882   8.707   -3.249  1.00 74.60 74  A  1 
ATOM   563  N N     . TYR    A  1  75  ? 10.599  13.118  -4.515  1.00 86.43 75  A  1 
ATOM   564  C CA    . TYR    A  1  75  ? 11.403  14.125  -5.198  1.00 86.76 75  A  1 
ATOM   565  C C     . TYR    A  1  75  ? 11.852  15.267  -4.289  1.00 86.65 75  A  1 
ATOM   566  O O     . TYR    A  1  75  ? 12.757  16.019  -4.649  1.00 82.56 75  A  1 
ATOM   567  C CB    . TYR    A  1  75  ? 10.630  14.719  -6.379  1.00 85.56 75  A  1 
ATOM   568  C CG    . TYR    A  1  75  ? 10.227  13.731  -7.456  1.00 85.56 75  A  1 
ATOM   569  C CD1   . TYR    A  1  75  ? 10.710  12.430  -7.475  1.00 79.32 75  A  1 
ATOM   570  C CD2   . TYR    A  1  75  ? 9.359   14.119  -8.471  1.00 80.15 75  A  1 
ATOM   571  C CE1   . TYR    A  1  75  ? 10.332  11.533  -8.462  1.00 79.15 75  A  1 
ATOM   572  C CE2   . TYR    A  1  75  ? 8.977   13.236  -9.464  1.00 79.02 75  A  1 
ATOM   573  C CZ    . TYR    A  1  75  ? 9.463   11.943  -9.456  1.00 82.37 75  A  1 
ATOM   574  O OH    . TYR    A  1  75  ? 9.082   11.056  -10.436 1.00 80.84 75  A  1 
ATOM   575  N N     . ARG    A  1  76  ? 11.228  15.386  -3.148  1.00 87.71 76  A  1 
ATOM   576  C CA    . ARG    A  1  76  ? 11.577  16.465  -2.237  1.00 87.19 76  A  1 
ATOM   577  C C     . ARG    A  1  76  ? 13.028  16.341  -1.790  1.00 87.55 76  A  1 
ATOM   578  O O     . ARG    A  1  76  ? 13.458  15.291  -1.326  1.00 84.24 76  A  1 
ATOM   579  C CB    . ARG    A  1  76  ? 10.670  16.447  -1.009  1.00 85.40 76  A  1 
ATOM   580  C CG    . ARG    A  1  76  ? 9.234   16.818  -1.301  1.00 76.32 76  A  1 
ATOM   581  C CD    . ARG    A  1  76  ? 8.377   16.666  -0.066  1.00 73.23 76  A  1 
ATOM   582  N NE    . ARG    A  1  76  ? 6.980   17.039  -0.320  1.00 64.45 76  A  1 
ATOM   583  C CZ    . ARG    A  1  76  ? 6.511   18.278  -0.260  1.00 57.79 76  A  1 
ATOM   584  N NH1   . ARG    A  1  76  ? 7.313   19.281  0.066   1.00 51.29 76  A  1 
ATOM   585  N NH2   . ARG    A  1  76  ? 5.238   18.518  -0.522  1.00 51.07 76  A  1 
ATOM   586  N N     . GLY    A  1  77  ? 13.751  17.421  -1.933  1.00 87.46 77  A  1 
ATOM   587  C CA    . GLY    A  1  77  ? 15.140  17.438  -1.514  1.00 87.92 77  A  1 
ATOM   588  C C     . GLY    A  1  77  ? 16.094  16.676  -2.413  1.00 89.19 77  A  1 
ATOM   589  O O     . GLY    A  1  77  ? 17.258  16.509  -2.066  1.00 86.02 77  A  1 
ATOM   590  N N     . ALA    A  1  78  ? 15.609  16.211  -3.556  1.00 87.54 78  A  1 
ATOM   591  C CA    . ALA    A  1  78  ? 16.476  15.474  -4.472  1.00 88.16 78  A  1 
ATOM   592  C C     . ALA    A  1  78  ? 17.587  16.378  -4.999  1.00 88.18 78  A  1 
ATOM   593  O O     . ALA    A  1  78  ? 17.340  17.523  -5.378  1.00 85.18 78  A  1 
ATOM   594  C CB    . ALA    A  1  78  ? 15.671  14.913  -5.633  1.00 87.18 78  A  1 
ATOM   595  N N     . ASP    A  1  79  ? 18.802  15.848  -5.002  1.00 89.37 79  A  1 
ATOM   596  C CA    . ASP    A  1  79  ? 19.938  16.578  -5.551  1.00 89.20 79  A  1 
ATOM   597  C C     . ASP    A  1  79  ? 20.193  16.187  -6.997  1.00 89.78 79  A  1 
ATOM   598  O O     . ASP    A  1  79  ? 20.761  16.962  -7.764  1.00 87.09 79  A  1 
ATOM   599  C CB    . ASP    A  1  79  ? 21.185  16.307  -4.712  1.00 87.41 79  A  1 
ATOM   600  C CG    . ASP    A  1  79  ? 21.060  16.851  -3.305  1.00 85.79 79  A  1 
ATOM   601  O OD1   . ASP    A  1  79  ? 20.814  18.063  -3.162  1.00 77.85 79  A  1 
ATOM   602  O OD2   . ASP    A  1  79  ? 21.201  16.065  -2.349  1.00 77.84 79  A  1 
ATOM   603  N N     . ILE    A  1  80  ? 19.776  14.992  -7.345  1.00 90.42 80  A  1 
ATOM   604  C CA    . ILE    A  1  80  ? 19.951  14.514  -8.709  1.00 91.41 80  A  1 
ATOM   605  C C     . ILE    A  1  80  ? 18.996  13.369  -9.001  1.00 91.27 80  A  1 
ATOM   606  O O     . ILE    A  1  80  ? 18.659  12.581  -8.114  1.00 88.76 80  A  1 
ATOM   607  C CB    . ILE    A  1  80  ? 21.409  14.076  -8.953  1.00 90.50 80  A  1 
ATOM   608  C CG1   . ILE    A  1  80  ? 21.632  13.755  -10.435 1.00 82.03 80  A  1 
ATOM   609  C CG2   . ILE    A  1  80  ? 21.778  12.882  -8.074  1.00 82.26 80  A  1 
ATOM   610  C CD1   . ILE    A  1  80  ? 23.058  13.893  -10.879 1.00 79.06 80  A  1 
ATOM   611  N N     . PHE    A  1  81  ? 18.565  13.295  -10.250 1.00 91.02 81  A  1 
ATOM   612  C CA    . PHE    A  1  81  ? 17.727  12.194  -10.710 1.00 91.33 81  A  1 
ATOM   613  C C     . PHE    A  1  81  ? 18.526  11.271  -11.611 1.00 91.58 81  A  1 
ATOM   614  O O     . PHE    A  1  81  ? 19.300  11.730  -12.455 1.00 89.69 81  A  1 
ATOM   615  C CB    . PHE    A  1  81  ? 16.526  12.707  -11.505 1.00 90.45 81  A  1 
ATOM   616  C CG    . PHE    A  1  81  ? 15.489  13.399  -10.675 1.00 89.67 81  A  1 
ATOM   617  C CD1   . PHE    A  1  81  ? 14.703  12.680  -9.792  1.00 84.54 81  A  1 
ATOM   618  C CD2   . PHE    A  1  81  ? 15.288  14.765  -10.792 1.00 84.03 81  A  1 
ATOM   619  C CE1   . PHE    A  1  81  ? 13.735  13.315  -9.029  1.00 82.92 81  A  1 
ATOM   620  C CE2   . PHE    A  1  81  ? 14.322  15.404  -10.033 1.00 82.08 81  A  1 
ATOM   621  C CZ    . PHE    A  1  81  ? 13.543  14.678  -9.148  1.00 85.47 81  A  1 
ATOM   622  N N     . VAL    A  1  82  ? 18.303  9.985   -11.434 1.00 90.61 82  A  1 
ATOM   623  C CA    . VAL    A  1  82  ? 18.805  8.989   -12.369 1.00 90.94 82  A  1 
ATOM   624  C C     . VAL    A  1  82  ? 17.571  8.547   -13.140 1.00 90.61 82  A  1 
ATOM   625  O O     . VAL    A  1  82  ? 16.693  7.878   -12.589 1.00 88.25 82  A  1 
ATOM   626  C CB    . VAL    A  1  82  ? 19.469  7.798   -11.648 1.00 89.88 82  A  1 
ATOM   627  C CG1   . VAL    A  1  82  ? 19.698  6.645   -12.617 1.00 81.97 82  A  1 
ATOM   628  C CG2   . VAL    A  1  82  ? 20.793  8.238   -11.035 1.00 82.55 82  A  1 
ATOM   629  N N     . LEU    A  1  83  ? 17.504  8.954   -14.392 1.00 91.06 83  A  1 
ATOM   630  C CA    . LEU    A  1  83  ? 16.343  8.668   -15.227 1.00 91.61 83  A  1 
ATOM   631  C C     . LEU    A  1  83  ? 16.672  7.489   -16.130 1.00 91.62 83  A  1 
ATOM   632  O O     . LEU    A  1  83  ? 17.521  7.594   -17.014 1.00 89.14 83  A  1 
ATOM   633  C CB    . LEU    A  1  83  ? 15.979  9.909   -16.038 1.00 90.03 83  A  1 
ATOM   634  C CG    . LEU    A  1  83  ? 14.846  9.825   -17.059 1.00 88.18 83  A  1 
ATOM   635  C CD1   . LEU    A  1  83  ? 13.608  9.172   -16.479 1.00 79.61 83  A  1 
ATOM   636  C CD2   . LEU    A  1  83  ? 14.521  11.232  -17.561 1.00 80.60 83  A  1 
ATOM   637  N N     . ALA    A  1  84  ? 16.000  6.379   -15.896 1.00 91.23 84  A  1 
ATOM   638  C CA    . ALA    A  1  84  ? 16.324  5.141   -16.586 1.00 91.58 84  A  1 
ATOM   639  C C     . ALA    A  1  84  ? 15.301  4.724   -17.633 1.00 91.15 84  A  1 
ATOM   640  O O     . ALA    A  1  84  ? 14.099  4.939   -17.471 1.00 87.91 84  A  1 
ATOM   641  C CB    . ALA    A  1  84  ? 16.497  4.015   -15.573 1.00 90.13 84  A  1 
ATOM   642  N N     . PHE    A  1  85  ? 15.799  4.116   -18.681 1.00 90.81 85  A  1 
ATOM   643  C CA    . PHE    A  1  85  ? 14.966  3.476   -19.692 1.00 90.92 85  A  1 
ATOM   644  C C     . PHE    A  1  85  ? 15.689  2.195   -20.084 1.00 90.48 85  A  1 
ATOM   645  O O     . PHE    A  1  85  ? 16.905  2.084   -19.908 1.00 88.05 85  A  1 
ATOM   646  C CB    . PHE    A  1  85  ? 14.753  4.384   -20.913 1.00 90.29 85  A  1 
ATOM   647  C CG    . PHE    A  1  85  ? 15.979  4.587   -21.762 1.00 90.73 85  A  1 
ATOM   648  C CD1   . PHE    A  1  85  ? 16.279  3.706   -22.792 1.00 84.30 85  A  1 
ATOM   649  C CD2   . PHE    A  1  85  ? 16.827  5.657   -21.536 1.00 84.35 85  A  1 
ATOM   650  C CE1   . PHE    A  1  85  ? 17.409  3.888   -23.576 1.00 84.82 85  A  1 
ATOM   651  C CE2   . PHE    A  1  85  ? 17.960  5.845   -22.312 1.00 84.15 85  A  1 
ATOM   652  C CZ    . PHE    A  1  85  ? 18.251  4.958   -23.333 1.00 87.71 85  A  1 
ATOM   653  N N     . SER    A  1  86  ? 14.948  1.243   -20.616 1.00 91.56 86  A  1 
ATOM   654  C CA    . SER    A  1  86  ? 15.559  -0.017  -21.025 1.00 91.13 86  A  1 
ATOM   655  C C     . SER    A  1  86  ? 15.998  0.047   -22.480 1.00 90.98 86  A  1 
ATOM   656  O O     . SER    A  1  86  ? 15.239  0.472   -23.349 1.00 88.69 86  A  1 
ATOM   657  C CB    . SER    A  1  86  ? 14.581  -1.169  -20.835 1.00 89.55 86  A  1 
ATOM   658  O OG    . SER    A  1  86  ? 15.090  -2.359  -21.403 1.00 79.99 86  A  1 
ATOM   659  N N     . LEU    A  1  87  ? 17.205  -0.404  -22.730 1.00 90.22 87  A  1 
ATOM   660  C CA    . LEU    A  1  87  ? 17.744  -0.401  -24.085 1.00 90.37 87  A  1 
ATOM   661  C C     . LEU    A  1  87  ? 17.001  -1.355  -25.014 1.00 89.57 87  A  1 
ATOM   662  O O     . LEU    A  1  87  ? 17.173  -1.282  -26.231 1.00 86.70 87  A  1 
ATOM   663  C CB    . LEU    A  1  87  ? 19.231  -0.754  -24.052 1.00 89.84 87  A  1 
ATOM   664  C CG    . LEU    A  1  87  ? 20.127  0.303   -23.406 1.00 89.12 87  A  1 
ATOM   665  C CD1   . LEU    A  1  87  ? 21.502  -0.268  -23.093 1.00 83.86 87  A  1 
ATOM   666  C CD2   . LEU    A  1  87  ? 20.255  1.516   -24.322 1.00 84.54 87  A  1 
ATOM   667  N N     . ILE    A  1  88  ? 16.197  -2.224  -24.449 1.00 89.50 88  A  1 
ATOM   668  C CA    . ILE    A  1  88  ? 15.411  -3.150  -25.265 1.00 88.69 88  A  1 
ATOM   669  C C     . ILE    A  1  88  ? 13.916  -2.844  -25.201 1.00 88.50 88  A  1 
ATOM   670  O O     . ILE    A  1  88  ? 13.093  -3.683  -25.563 1.00 84.15 88  A  1 
ATOM   671  C CB    . ILE    A  1  88  ? 15.709  -4.621  -24.895 1.00 86.67 88  A  1 
ATOM   672  C CG1   . ILE    A  1  88  ? 15.485  -4.898  -23.408 1.00 77.47 88  A  1 
ATOM   673  C CG2   . ILE    A  1  88  ? 17.144  -4.967  -25.278 1.00 74.09 88  A  1 
ATOM   674  C CD1   . ILE    A  1  88  ? 14.064  -5.243  -23.045 1.00 70.04 88  A  1 
ATOM   675  N N     . SER    A  1  89  ? 13.576  -1.648  -24.766 1.00 88.75 89  A  1 
ATOM   676  C CA    . SER    A  1  89  ? 12.183  -1.225  -24.714 1.00 88.64 89  A  1 
ATOM   677  C C     . SER    A  1  89  ? 12.038  0.178   -25.294 1.00 89.20 89  A  1 
ATOM   678  O O     . SER    A  1  89  ? 12.335  1.167   -24.623 1.00 87.38 89  A  1 
ATOM   679  C CB    . SER    A  1  89  ? 11.665  -1.247  -23.282 1.00 86.96 89  A  1 
ATOM   680  O OG    . SER    A  1  89  ? 10.370  -0.684  -23.206 1.00 80.75 89  A  1 
ATOM   681  N N     . LYS    A  1  90  ? 11.564  0.246   -26.529 1.00 89.31 90  A  1 
ATOM   682  C CA    . LYS    A  1  90  ? 11.376  1.542   -27.171 1.00 89.67 90  A  1 
ATOM   683  C C     . LYS    A  1  90  ? 10.359  2.397   -26.419 1.00 90.38 90  A  1 
ATOM   684  O O     . LYS    A  1  90  ? 10.497  3.617   -26.347 1.00 88.23 90  A  1 
ATOM   685  C CB    . LYS    A  1  90  ? 10.939  1.361   -28.625 1.00 88.26 90  A  1 
ATOM   686  C CG    . LYS    A  1  90  ? 10.745  2.675   -29.366 1.00 80.10 90  A  1 
ATOM   687  C CD    . LYS    A  1  90  ? 10.457  2.478   -30.836 1.00 73.86 90  A  1 
ATOM   688  C CE    . LYS    A  1  90  ? 11.701  2.062   -31.596 1.00 65.61 90  A  1 
ATOM   689  N NZ    . LYS    A  1  90  ? 11.468  2.010   -33.066 1.00 57.19 90  A  1 
ATOM   690  N N     . ALA    A  1  91  ? 9.357   1.758   -25.863 1.00 90.23 91  A  1 
ATOM   691  C CA    . ALA    A  1  91  ? 8.345   2.494   -25.111 1.00 89.96 91  A  1 
ATOM   692  C C     . ALA    A  1  91  ? 8.964   3.239   -23.932 1.00 90.34 91  A  1 
ATOM   693  O O     . ALA    A  1  91  ? 8.628   4.397   -23.672 1.00 87.63 91  A  1 
ATOM   694  C CB    . ALA    A  1  91  ? 7.261   1.544   -24.624 1.00 88.28 91  A  1 
ATOM   695  N N     . SER    A  1  92  ? 9.865   2.579   -23.224 1.00 89.82 92  A  1 
ATOM   696  C CA    . SER    A  1  92  ? 10.512  3.224   -22.085 1.00 89.54 92  A  1 
ATOM   697  C C     . SER    A  1  92  ? 11.386  4.390   -22.540 1.00 90.03 92  A  1 
ATOM   698  O O     . SER    A  1  92  ? 11.492  5.404   -21.847 1.00 87.28 92  A  1 
ATOM   699  C CB    . SER    A  1  92  ? 11.335  2.211   -21.280 1.00 88.27 92  A  1 
ATOM   700  O OG    . SER    A  1  92  ? 12.484  1.789   -21.979 1.00 81.20 92  A  1 
ATOM   701  N N     . TYR    A  1  93  ? 11.994  4.235   -23.692 1.00 89.64 93  A  1 
ATOM   702  C CA    . TYR    A  1  93  ? 12.818  5.294   -24.272 1.00 90.86 93  A  1 
ATOM   703  C C     . TYR    A  1  93  ? 11.966  6.517   -24.614 1.00 90.96 93  A  1 
ATOM   704  O O     . TYR    A  1  93  ? 12.317  7.648   -24.278 1.00 89.04 93  A  1 
ATOM   705  C CB    . TYR    A  1  93  ? 13.515  4.755   -25.521 1.00 90.66 93  A  1 
ATOM   706  C CG    . TYR    A  1  93  ? 14.297  5.774   -26.315 1.00 91.08 93  A  1 
ATOM   707  C CD1   . TYR    A  1  93  ? 15.615  6.075   -25.992 1.00 84.75 93  A  1 
ATOM   708  C CD2   . TYR    A  1  93  ? 13.726  6.408   -27.407 1.00 85.77 93  A  1 
ATOM   709  C CE1   . TYR    A  1  93  ? 16.343  6.988   -26.733 1.00 85.04 93  A  1 
ATOM   710  C CE2   . TYR    A  1  93  ? 14.443  7.331   -28.156 1.00 84.66 93  A  1 
ATOM   711  C CZ    . TYR    A  1  93  ? 15.751  7.616   -27.814 1.00 88.50 93  A  1 
ATOM   712  O OH    . TYR    A  1  93  ? 16.466  8.525   -28.551 1.00 87.15 93  A  1 
ATOM   713  N N     . GLU    A  1  94  ? 10.855  6.271   -25.267 1.00 91.37 94  A  1 
ATOM   714  C CA    . GLU    A  1  94  ? 9.969   7.366   -25.659 1.00 91.18 94  A  1 
ATOM   715  C C     . GLU    A  1  94  ? 9.347   8.064   -24.453 1.00 90.93 94  A  1 
ATOM   716  O O     . GLU    A  1  94  ? 9.129   9.275   -24.470 1.00 88.30 94  A  1 
ATOM   717  C CB    . GLU    A  1  94  ? 8.875   6.840   -26.585 1.00 89.79 94  A  1 
ATOM   718  C CG    . GLU    A  1  94  ? 9.402   6.333   -27.919 1.00 84.97 94  A  1 
ATOM   719  C CD    . GLU    A  1  94  ? 8.323   5.698   -28.779 1.00 81.06 94  A  1 
ATOM   720  O OE1   . GLU    A  1  94  ? 7.189   5.525   -28.287 1.00 73.77 94  A  1 
ATOM   721  O OE2   . GLU    A  1  94  ? 8.612   5.364   -29.944 1.00 73.33 94  A  1 
ATOM   722  N N     . ASN    A  1  95  ? 9.078   7.301   -23.425 1.00 89.72 95  A  1 
ATOM   723  C CA    . ASN    A  1  95  ? 8.458   7.878   -22.237 1.00 89.33 95  A  1 
ATOM   724  C C     . ASN    A  1  95  ? 9.394   8.793   -21.451 1.00 89.65 95  A  1 
ATOM   725  O O     . ASN    A  1  95  ? 8.933   9.559   -20.608 1.00 86.82 95  A  1 
ATOM   726  C CB    . ASN    A  1  95  ? 7.910   6.777   -21.329 1.00 87.81 95  A  1 
ATOM   727  C CG    . ASN    A  1  95  ? 6.573   6.244   -21.803 1.00 85.88 95  A  1 
ATOM   728  O OD1   . ASN    A  1  95  ? 5.824   6.943   -22.484 1.00 76.89 95  A  1 
ATOM   729  N ND2   . ASN    A  1  95  ? 6.257   5.011   -21.439 1.00 76.86 95  A  1 
ATOM   730  N N     . VAL    A  1  96  ? 10.671  8.713   -21.719 1.00 90.38 96  A  1 
ATOM   731  C CA    . VAL    A  1  96  ? 11.602  9.633   -21.065 1.00 90.40 96  A  1 
ATOM   732  C C     . VAL    A  1  96  ? 11.189  11.069  -21.386 1.00 90.50 96  A  1 
ATOM   733  O O     . VAL    A  1  96  ? 11.119  11.927  -20.501 1.00 88.43 96  A  1 
ATOM   734  C CB    . VAL    A  1  96  ? 13.046  9.382   -21.524 1.00 89.74 96  A  1 
ATOM   735  C CG1   . VAL    A  1  96  ? 13.961  10.517  -21.067 1.00 80.36 96  A  1 
ATOM   736  C CG2   . VAL    A  1  96  ? 13.547  8.055   -20.977 1.00 82.00 96  A  1 
ATOM   737  N N     . LEU    A  1  97  ? 10.904  11.313  -22.644 1.00 90.93 97  A  1 
ATOM   738  C CA    . LEU    A  1  97  ? 10.526  12.651  -23.078 1.00 91.07 97  A  1 
ATOM   739  C C     . LEU    A  1  97  ? 9.045   12.945  -22.848 1.00 91.16 97  A  1 
ATOM   740  O O     . LEU    A  1  97  ? 8.687   14.041  -22.411 1.00 88.34 97  A  1 
ATOM   741  C CB    . LEU    A  1  97  ? 10.858  12.828  -24.557 1.00 89.02 97  A  1 
ATOM   742  C CG    . LEU    A  1  97  ? 10.606  14.213  -25.149 1.00 81.45 97  A  1 
ATOM   743  C CD1   . LEU    A  1  97  ? 11.558  15.227  -24.551 1.00 74.67 97  A  1 
ATOM   744  C CD2   . LEU    A  1  97  ? 10.758  14.157  -26.662 1.00 74.38 97  A  1 
ATOM   745  N N     . LYS    A  1  98  ? 8.211   11.973  -23.135 1.00 91.44 98  A  1 
ATOM   746  C CA    . LYS    A  1  98  ? 6.768   12.198  -23.082 1.00 91.38 98  A  1 
ATOM   747  C C     . LYS    A  1  98  ? 6.172   12.140  -21.679 1.00 91.26 98  A  1 
ATOM   748  O O     . LYS    A  1  98  ? 5.168   12.802  -21.412 1.00 88.38 98  A  1 
ATOM   749  C CB    . LYS    A  1  98  ? 6.050   11.194  -23.980 1.00 89.92 98  A  1 
ATOM   750  C CG    . LYS    A  1  98  ? 6.402   11.331  -25.458 1.00 80.34 98  A  1 
ATOM   751  C CD    . LYS    A  1  98  ? 5.548   10.431  -26.333 1.00 75.91 98  A  1 
ATOM   752  C CE    . LYS    A  1  98  ? 5.818   8.964   -26.076 1.00 64.75 98  A  1 
ATOM   753  N NZ    . LYS    A  1  98  ? 5.063   8.083   -27.019 1.00 57.04 98  A  1 
ATOM   754  N N     . LYS    A  1  99  ? 6.767   11.364  -20.817 1.00 90.59 99  A  1 
ATOM   755  C CA    . LYS    A  1  99  ? 6.208   11.170  -19.483 1.00 90.29 99  A  1 
ATOM   756  C C     . LYS    A  1  99  ? 7.100   11.710  -18.374 1.00 90.57 99  A  1 
ATOM   757  O O     . LYS    A  1  99  ? 6.655   12.503  -17.542 1.00 88.42 99  A  1 
ATOM   758  C CB    . LYS    A  1  99  ? 5.935   9.684   -19.245 1.00 88.08 99  A  1 
ATOM   759  C CG    . LYS    A  1  99  ? 5.465   9.344   -17.838 1.00 79.96 99  A  1 
ATOM   760  C CD    . LYS    A  1  99  ? 5.263   7.849   -17.677 1.00 77.84 99  A  1 
ATOM   761  C CE    . LYS    A  1  99  ? 4.878   7.498   -16.254 1.00 69.69 99  A  1 
ATOM   762  N NZ    . LYS    A  1  99  ? 4.691   6.026   -16.067 1.00 64.16 99  A  1 
ATOM   763  N N     . TRP    A  1  100 ? 8.344   11.265  -18.360 1.00 91.16 100 A  1 
ATOM   764  C CA    . TRP    A  1  100 ? 9.213   11.595  -17.235 1.00 91.07 100 A  1 
ATOM   765  C C     . TRP    A  1  100 ? 9.690   13.037  -17.195 1.00 91.07 100 A  1 
ATOM   766  O O     . TRP    A  1  100 ? 9.699   13.654  -16.130 1.00 88.12 100 A  1 
ATOM   767  C CB    . TRP    A  1  100 ? 10.393  10.624  -17.192 1.00 90.38 100 A  1 
ATOM   768  C CG    . TRP    A  1  100 ? 9.891   9.242   -16.967 1.00 89.57 100 A  1 
ATOM   769  C CD1   . TRP    A  1  100 ? 9.795   8.241   -17.885 1.00 83.07 100 A  1 
ATOM   770  C CD2   . TRP    A  1  100 ? 9.322   8.739   -15.757 1.00 87.25 100 A  1 
ATOM   771  N NE1   . TRP    A  1  100 ? 9.211   7.135   -17.314 1.00 84.61 100 A  1 
ATOM   772  C CE2   . TRP    A  1  100 ? 8.907   7.416   -16.010 1.00 85.73 100 A  1 
ATOM   773  C CE3   . TRP    A  1  100 ? 9.127   9.277   -14.481 1.00 84.03 100 A  1 
ATOM   774  C CZ2   . TRP    A  1  100 ? 8.308   6.621   -15.032 1.00 85.91 100 A  1 
ATOM   775  C CZ3   . TRP    A  1  100 ? 8.531   8.483   -13.511 1.00 79.69 100 A  1 
ATOM   776  C CH2   . TRP    A  1  100 ? 8.132   7.171   -13.792 1.00 81.73 100 A  1 
ATOM   777  N N     . MET    A  1  101 ? 10.064  13.568  -18.306 1.00 91.09 101 A  1 
ATOM   778  C CA    . MET    A  1  101 ? 10.530  14.949  -18.300 1.00 91.23 101 A  1 
ATOM   779  C C     . MET    A  1  101 ? 9.440   15.934  -17.860 1.00 91.05 101 A  1 
ATOM   780  O O     . MET    A  1  101 ? 9.718   16.817  -17.051 1.00 88.61 101 A  1 
ATOM   781  C CB    . MET    A  1  101 ? 11.113  15.337  -19.655 1.00 90.26 101 A  1 
ATOM   782  C CG    . MET    A  1  101 ? 12.446  14.659  -19.953 1.00 84.63 101 A  1 
ATOM   783  S SD    . MET    A  1  101 ? 13.692  14.908  -18.669 1.00 84.31 101 A  1 
ATOM   784  C CE    . MET    A  1  101 ? 13.843  16.682  -18.667 1.00 76.31 101 A  1 
ATOM   785  N N     . PRO    A  1  102 ? 8.223   15.791  -18.360 1.00 90.21 102 A  1 
ATOM   786  C CA    . PRO    A  1  102 ? 7.178   16.695  -17.861 1.00 90.17 102 A  1 
ATOM   787  C C     . PRO    A  1  102 ? 6.952   16.559  -16.359 1.00 90.27 102 A  1 
ATOM   788  O O     . PRO    A  1  102 ? 6.740   17.562  -15.672 1.00 88.15 102 A  1 
ATOM   789  C CB    . PRO    A  1  102 ? 5.940   16.269  -18.651 1.00 88.77 102 A  1 
ATOM   790  C CG    . PRO    A  1  102 ? 6.497   15.731  -19.920 1.00 86.59 102 A  1 
ATOM   791  C CD    . PRO    A  1  102 ? 7.771   15.039  -19.528 1.00 89.57 102 A  1 
ATOM   792  N N     . GLU    A  1  103 ? 7.014   15.347  -15.857 1.00 89.70 103 A  1 
ATOM   793  C CA    . GLU    A  1  103 ? 6.821   15.135  -14.426 1.00 89.31 103 A  1 
ATOM   794  C C     . GLU    A  1  103 ? 7.966   15.739  -13.612 1.00 89.19 103 A  1 
ATOM   795  O O     . GLU    A  1  103 ? 7.739   16.416  -12.607 1.00 86.78 103 A  1 
ATOM   796  C CB    . GLU    A  1  103 ? 6.678   13.646  -14.116 1.00 87.59 103 A  1 
ATOM   797  C CG    . GLU    A  1  103 ? 6.489   13.351  -12.637 1.00 82.96 103 A  1 
ATOM   798  C CD    . GLU    A  1  103 ? 6.137   11.902  -12.362 1.00 81.60 103 A  1 
ATOM   799  O OE1   . GLU    A  1  103 ? 5.129   11.420  -12.911 1.00 76.32 103 A  1 
ATOM   800  O OE2   . GLU    A  1  103 ? 6.873   11.249  -11.599 1.00 76.21 103 A  1 
ATOM   801  N N     . LEU    A  1  104 ? 9.182   15.487  -14.034 1.00 88.94 104 A  1 
ATOM   802  C CA    . LEU    A  1  104 ? 10.332  16.016  -13.308 1.00 88.87 104 A  1 
ATOM   803  C C     . LEU    A  1  104 ? 10.374  17.541  -13.353 1.00 88.27 104 A  1 
ATOM   804  O O     . LEU    A  1  104 ? 10.699  18.180  -12.353 1.00 84.83 104 A  1 
ATOM   805  C CB    . LEU    A  1  104 ? 11.632  15.434  -13.858 1.00 87.68 104 A  1 
ATOM   806  C CG    . LEU    A  1  104 ? 11.814  13.926  -13.681 1.00 86.28 104 A  1 
ATOM   807  C CD1   . LEU    A  1  104 ? 13.106  13.468  -14.335 1.00 79.44 104 A  1 
ATOM   808  C CD2   . LEU    A  1  104 ? 11.805  13.545  -12.206 1.00 80.19 104 A  1 
ATOM   809  N N     . ARG    A  1  105 ? 10.040  18.107  -14.484 1.00 89.64 105 A  1 
ATOM   810  C CA    . ARG    A  1  105 ? 10.031  19.567  -14.594 1.00 89.10 105 A  1 
ATOM   811  C C     . ARG    A  1  105 ? 8.944   20.178  -13.720 1.00 89.35 105 A  1 
ATOM   812  O O     . ARG    A  1  105 ? 9.108   21.274  -13.191 1.00 85.73 105 A  1 
ATOM   813  C CB    . ARG    A  1  105 ? 9.817   20.001  -16.044 1.00 87.44 105 A  1 
ATOM   814  C CG    . ARG    A  1  105 ? 10.976  19.692  -16.969 1.00 80.26 105 A  1 
ATOM   815  C CD    . ARG    A  1  105 ? 10.792  20.386  -18.298 1.00 75.09 105 A  1 
ATOM   816  N NE    . ARG    A  1  105 ? 11.721  19.879  -19.306 1.00 67.08 105 A  1 
ATOM   817  C CZ    . ARG    A  1  105 ? 11.356  19.185  -20.382 1.00 60.21 105 A  1 
ATOM   818  N NH1   . ARG    A  1  105 ? 10.080  18.919  -20.616 1.00 52.89 105 A  1 
ATOM   819  N NH2   . ARG    A  1  105 ? 12.279  18.756  -21.228 1.00 53.96 105 A  1 
ATOM   820  N N     . ARG    A  1  106 ? 7.865   19.471  -13.597 1.00 89.56 106 A  1 
ATOM   821  C CA    . ARG    A  1  106 ? 6.758   19.967  -12.796 1.00 89.42 106 A  1 
ATOM   822  C C     . ARG    A  1  106 ? 7.082   19.997  -11.307 1.00 89.14 106 A  1 
ATOM   823  O O     . ARG    A  1  106 ? 6.755   20.960  -10.614 1.00 86.26 106 A  1 
ATOM   824  C CB    . ARG    A  1  106 ? 5.525   19.107  -13.038 1.00 87.63 106 A  1 
ATOM   825  C CG    . ARG    A  1  106 ? 4.300   19.529  -12.247 1.00 80.15 106 A  1 
ATOM   826  C CD    . ARG    A  1  106 ? 3.126   18.641  -12.581 1.00 77.83 106 A  1 
ATOM   827  N NE    . ARG    A  1  106 ? 1.946   18.975  -11.785 1.00 69.81 106 A  1 
ATOM   828  C CZ    . ARG    A  1  106 ? 0.797   18.313  -11.836 1.00 64.76 106 A  1 
ATOM   829  N NH1   . ARG    A  1  106 ? 0.653   17.278  -12.654 1.00 58.74 106 A  1 
ATOM   830  N NH2   . ARG    A  1  106 ? -0.211  18.686  -11.075 1.00 57.40 106 A  1 
ATOM   831  N N     . PHE    A  1  107 ? 7.720   18.950  -10.826 1.00 88.42 107 A  1 
ATOM   832  C CA    . PHE    A  1  107 ? 7.965   18.831  -9.389  1.00 87.35 107 A  1 
ATOM   833  C C     . PHE    A  1  107 ? 9.386   19.159  -8.936  1.00 86.98 107 A  1 
ATOM   834  O O     . PHE    A  1  107 ? 9.603   19.435  -7.755  1.00 81.80 107 A  1 
ATOM   835  C CB    . PHE    A  1  107 ? 7.592   17.426  -8.922  1.00 85.60 107 A  1 
ATOM   836  C CG    . PHE    A  1  107 ? 6.129   17.115  -9.057  1.00 84.17 107 A  1 
ATOM   837  C CD1   . PHE    A  1  107 ? 5.217   17.596  -8.132  1.00 77.04 107 A  1 
ATOM   838  C CD2   . PHE    A  1  107 ? 5.660   16.350  -10.114 1.00 76.88 107 A  1 
ATOM   839  C CE1   . PHE    A  1  107 ? 3.866   17.318  -8.261  1.00 74.98 107 A  1 
ATOM   840  C CE2   . PHE    A  1  107 ? 4.309   16.072  -10.247 1.00 74.20 107 A  1 
ATOM   841  C CZ    . PHE    A  1  107 ? 3.409   16.556  -9.316  1.00 75.83 107 A  1 
ATOM   842  N N     . ALA    A  1  108 ? 10.334  19.110  -9.846  1.00 87.95 108 A  1 
ATOM   843  C CA    . ALA    A  1  108 ? 11.727  19.383  -9.500  1.00 87.97 108 A  1 
ATOM   844  C C     . ALA    A  1  108 ? 12.478  19.922  -10.716 1.00 88.25 108 A  1 
ATOM   845  O O     . ALA    A  1  108 ? 13.412  19.294  -11.216 1.00 84.34 108 A  1 
ATOM   846  C CB    . ALA    A  1  108 ? 12.396  18.116  -8.971  1.00 85.94 108 A  1 
ATOM   847  N N     . PRO    A  1  109 ? 12.072  21.083  -11.199 1.00 88.22 109 A  1 
ATOM   848  C CA    . PRO    A  1  109 ? 12.607  21.619  -12.457 1.00 86.99 109 A  1 
ATOM   849  C C     . PRO    A  1  109 ? 14.095  21.964  -12.476 1.00 85.95 109 A  1 
ATOM   850  O O     . PRO    A  1  109 ? 14.694  21.998  -13.552 1.00 79.19 109 A  1 
ATOM   851  C CB    . PRO    A  1  109 ? 11.760  22.877  -12.679 1.00 84.87 109 A  1 
ATOM   852  C CG    . PRO    A  1  109 ? 11.323  23.277  -11.310 1.00 81.86 109 A  1 
ATOM   853  C CD    . PRO    A  1  109 ? 11.091  21.984  -10.584 1.00 85.37 109 A  1 
ATOM   854  N N     . ASN    A  1  110 ? 14.681  22.221  -11.328 1.00 87.62 110 A  1 
ATOM   855  C CA    . ASN    A  1  110 ? 16.077  22.651  -11.302 1.00 87.18 110 A  1 
ATOM   856  C C     . ASN    A  1  110 ? 17.070  21.556  -10.923 1.00 87.63 110 A  1 
ATOM   857  O O     . ASN    A  1  110 ? 18.258  21.827  -10.769 1.00 83.02 110 A  1 
ATOM   858  C CB    . ASN    A  1  110 ? 16.230  23.837  -10.349 1.00 83.94 110 A  1 
ATOM   859  C CG    . ASN    A  1  110 ? 15.420  25.035  -10.788 1.00 77.55 110 A  1 
ATOM   860  O OD1   . ASN    A  1  110 ? 15.325  25.333  -11.978 1.00 67.50 110 A  1 
ATOM   861  N ND2   . ASN    A  1  110 ? 14.823  25.727  -9.829  1.00 67.34 110 A  1 
ATOM   862  N N     . VAL    A  1  111 ? 16.584  20.346  -10.778 1.00 88.94 111 A  1 
ATOM   863  C CA    . VAL    A  1  111 ? 17.455  19.242  -10.385 1.00 89.55 111 A  1 
ATOM   864  C C     . VAL    A  1  111 ? 18.055  18.583  -11.625 1.00 90.25 111 A  1 
ATOM   865  O O     . VAL    A  1  111 ? 17.331  18.251  -12.561 1.00 87.97 111 A  1 
ATOM   866  C CB    . VAL    A  1  111 ? 16.673  18.209  -9.556  1.00 88.03 111 A  1 
ATOM   867  C CG1   . VAL    A  1  111 ? 17.558  17.027  -9.186  1.00 79.68 111 A  1 
ATOM   868  C CG2   . VAL    A  1  111 ? 16.116  18.867  -8.300  1.00 80.34 111 A  1 
ATOM   869  N N     . PRO    A  1  112 ? 19.372  18.387  -11.629 1.00 90.37 112 A  1 
ATOM   870  C CA    . PRO    A  1  112 ? 20.004  17.766  -12.799 1.00 90.87 112 A  1 
ATOM   871  C C     . PRO    A  1  112 ? 19.615  16.302  -12.965 1.00 91.28 112 A  1 
ATOM   872  O O     . PRO    A  1  112 ? 19.143  15.657  -12.027 1.00 88.64 112 A  1 
ATOM   873  C CB    . PRO    A  1  112 ? 21.503  17.914  -12.511 1.00 88.93 112 A  1 
ATOM   874  C CG    . PRO    A  1  112 ? 21.586  18.011  -11.029 1.00 85.48 112 A  1 
ATOM   875  C CD    . PRO    A  1  112 ? 20.356  18.761  -10.608 1.00 88.36 112 A  1 
ATOM   876  N N     . ILE    A  1  113 ? 19.838  15.801  -14.172 1.00 90.61 113 A  1 
ATOM   877  C CA    . ILE    A  1  113 ? 19.432  14.443  -14.530 1.00 91.32 113 A  1 
ATOM   878  C C     . ILE    A  1  113 ? 20.576  13.685  -15.189 1.00 91.53 113 A  1 
ATOM   879  O O     . ILE    A  1  113 ? 21.286  14.233  -16.033 1.00 89.04 113 A  1 
ATOM   880  C CB    . ILE    A  1  113 ? 18.238  14.473  -15.502 1.00 89.79 113 A  1 
ATOM   881  C CG1   . ILE    A  1  113 ? 17.032  15.161  -14.854 1.00 82.20 113 A  1 
ATOM   882  C CG2   . ILE    A  1  113 ? 17.876  13.066  -15.969 1.00 81.98 113 A  1 
ATOM   883  C CD1   . ILE    A  1  113 ? 15.949  15.550  -15.841 1.00 79.05 113 A  1 
ATOM   884  N N     . VAL    A  1  114 ? 20.722  12.431  -14.799 1.00 91.39 114 A  1 
ATOM   885  C CA    . VAL    A  1  114 ? 21.629  11.513  -15.482 1.00 91.64 114 A  1 
ATOM   886  C C     . VAL    A  1  114 ? 20.751  10.491  -16.185 1.00 91.53 114 A  1 
ATOM   887  O O     . VAL    A  1  114 ? 19.994  9.769   -15.537 1.00 89.11 114 A  1 
ATOM   888  C CB    . VAL    A  1  114 ? 22.587  10.809  -14.501 1.00 90.48 114 A  1 
ATOM   889  C CG1   . VAL    A  1  114 ? 23.357  9.698   -15.215 1.00 80.70 114 A  1 
ATOM   890  C CG2   . VAL    A  1  114 ? 23.558  11.812  -13.899 1.00 81.53 114 A  1 
ATOM   891  N N     . LEU    A  1  115 ? 20.853  10.447  -17.499 1.00 91.41 115 A  1 
ATOM   892  C CA    . LEU    A  1  115 ? 20.064  9.507   -18.286 1.00 91.97 115 A  1 
ATOM   893  C C     . LEU    A  1  115 ? 20.786  8.167   -18.348 1.00 92.09 115 A  1 
ATOM   894  O O     . LEU    A  1  115 ? 21.989  8.114   -18.604 1.00 89.93 115 A  1 
ATOM   895  C CB    . LEU    A  1  115 ? 19.858  10.061  -19.696 1.00 90.97 115 A  1 
ATOM   896  C CG    . LEU    A  1  115 ? 19.014  9.225   -20.658 1.00 89.18 115 A  1 
ATOM   897  C CD1   . LEU    A  1  115 ? 17.573  9.147   -20.179 1.00 82.22 115 A  1 
ATOM   898  C CD2   . LEU    A  1  115 ? 19.075  9.830   -22.055 1.00 82.88 115 A  1 
ATOM   899  N N     . VAL    A  1  116 ? 20.048  7.095   -18.114 1.00 91.66 116 A  1 
ATOM   900  C CA    . VAL    A  1  116 ? 20.655  5.766   -18.090 1.00 91.76 116 A  1 
ATOM   901  C C     . VAL    A  1  116 ? 19.884  4.784   -18.955 1.00 91.37 116 A  1 
ATOM   902  O O     . VAL    A  1  116 ? 18.665  4.667   -18.842 1.00 88.54 116 A  1 
ATOM   903  C CB    . VAL    A  1  116 ? 20.729  5.214   -16.652 1.00 90.20 116 A  1 
ATOM   904  C CG1   . VAL    A  1  116 ? 21.324  3.812   -16.644 1.00 78.91 116 A  1 
ATOM   905  C CG2   . VAL    A  1  116 ? 21.549  6.140   -15.770 1.00 80.38 116 A  1 
ATOM   906  N N     . GLY    A  1  117 ? 20.614  4.063   -19.801 1.00 91.46 117 A  1 
ATOM   907  C CA    . GLY    A  1  117 ? 20.030  2.994   -20.594 1.00 91.32 117 A  1 
ATOM   908  C C     . GLY    A  1  117 ? 20.377  1.681   -19.921 1.00 91.50 117 A  1 
ATOM   909  O O     . GLY    A  1  117 ? 21.550  1.344   -19.796 1.00 88.55 117 A  1 
ATOM   910  N N     . THR    A  1  118 ? 19.365  0.955   -19.496 1.00 91.07 118 A  1 
ATOM   911  C CA    . THR    A  1  118 ? 19.586  -0.280  -18.743 1.00 90.82 118 A  1 
ATOM   912  C C     . THR    A  1  118 ? 19.493  -1.535  -19.609 1.00 90.36 118 A  1 
ATOM   913  O O     . THR    A  1  118 ? 19.113  -1.479  -20.778 1.00 87.31 118 A  1 
ATOM   914  C CB    . THR    A  1  118 ? 18.577  -0.398  -17.593 1.00 89.49 118 A  1 
ATOM   915  O OG1   . THR    A  1  118 ? 17.259  -0.477  -18.140 1.00 78.38 118 A  1 
ATOM   916  C CG2   . THR    A  1  118 ? 18.668  0.793   -16.654 1.00 78.77 118 A  1 
ATOM   917  N N     . LYS    A  1  119 ? 19.840  -2.650  -19.001 1.00 90.15 119 A  1 
ATOM   918  C CA    . LYS    A  1  119 ? 19.793  -3.964  -19.646 1.00 89.91 119 A  1 
ATOM   919  C C     . LYS    A  1  119 ? 20.699  -4.046  -20.877 1.00 89.86 119 A  1 
ATOM   920  O O     . LYS    A  1  119 ? 20.338  -4.638  -21.899 1.00 86.16 119 A  1 
ATOM   921  C CB    . LYS    A  1  119 ? 18.355  -4.343  -20.006 1.00 87.91 119 A  1 
ATOM   922  C CG    . LYS    A  1  119 ? 17.412  -4.338  -18.812 1.00 86.29 119 A  1 
ATOM   923  C CD    . LYS    A  1  119 ? 16.031  -4.854  -19.175 1.00 84.02 119 A  1 
ATOM   924  C CE    . LYS    A  1  119 ? 15.092  -4.782  -17.980 1.00 82.48 119 A  1 
ATOM   925  N NZ    . LYS    A  1  119 ? 13.726  -5.273  -18.305 1.00 77.04 119 A  1 
ATOM   926  N N     . LEU    A  1  120 ? 21.852  -3.464  -20.757 1.00 90.32 120 A  1 
ATOM   927  C CA    . LEU    A  1  120 ? 22.823  -3.478  -21.847 1.00 90.50 120 A  1 
ATOM   928  C C     . LEU    A  1  120 ? 23.157  -4.900  -22.283 1.00 89.77 120 A  1 
ATOM   929  O O     . LEU    A  1  120 ? 23.391  -5.153  -23.463 1.00 86.83 120 A  1 
ATOM   930  C CB    . LEU    A  1  120 ? 24.096  -2.747  -21.415 1.00 89.70 120 A  1 
ATOM   931  C CG    . LEU    A  1  120 ? 25.261  -2.703  -22.406 1.00 87.75 120 A  1 
ATOM   932  C CD1   . LEU    A  1  120 ? 24.834  -2.062  -23.715 1.00 79.63 120 A  1 
ATOM   933  C CD2   . LEU    A  1  120 ? 26.426  -1.937  -21.798 1.00 80.09 120 A  1 
ATOM   934  N N     . ASP    A  1  121 ? 23.170  -5.817  -21.352 1.00 89.21 121 A  1 
ATOM   935  C CA    . ASP    A  1  121 ? 23.479  -7.209  -21.656 1.00 87.67 121 A  1 
ATOM   936  C C     . ASP    A  1  121 ? 22.498  -7.811  -22.661 1.00 87.57 121 A  1 
ATOM   937  O O     . ASP    A  1  121 ? 22.889  -8.631  -23.492 1.00 83.59 121 A  1 
ATOM   938  C CB    . ASP    A  1  121 ? 23.496  -8.051  -20.374 1.00 85.61 121 A  1 
ATOM   939  C CG    . ASP    A  1  121 ? 22.167  -8.029  -19.642 1.00 82.89 121 A  1 
ATOM   940  O OD1   . ASP    A  1  121 ? 21.789  -6.967  -19.122 1.00 75.41 121 A  1 
ATOM   941  O OD2   . ASP    A  1  121 ? 21.503  -9.082  -19.586 1.00 76.80 121 A  1 
ATOM   942  N N     . LEU    A  1  122 ? 21.246  -7.405  -22.600 1.00 87.52 122 A  1 
ATOM   943  C CA    . LEU    A  1  122 ? 20.249  -7.935  -23.525 1.00 87.07 122 A  1 
ATOM   944  C C     . LEU    A  1  122 ? 20.432  -7.380  -24.932 1.00 86.32 122 A  1 
ATOM   945  O O     . LEU    A  1  122 ? 20.258  -8.102  -25.912 1.00 81.86 122 A  1 
ATOM   946  C CB    . LEU    A  1  122 ? 18.837  -7.645  -23.021 1.00 85.51 122 A  1 
ATOM   947  C CG    . LEU    A  1  122 ? 18.424  -8.377  -21.743 1.00 82.90 122 A  1 
ATOM   948  C CD1   . LEU    A  1  122 ? 17.019  -7.969  -21.329 1.00 77.04 122 A  1 
ATOM   949  C CD2   . LEU    A  1  122 ? 18.501  -9.887  -21.934 1.00 77.02 122 A  1 
ATOM   950  N N     . ARG    A  1  123 ? 20.767  -6.113  -25.021 1.00 85.48 123 A  1 
ATOM   951  C CA    . ARG    A  1  123 ? 21.008  -5.529  -26.339 1.00 85.46 123 A  1 
ATOM   952  C C     . ARG    A  1  123 ? 22.220  -6.182  -27.002 1.00 84.51 123 A  1 
ATOM   953  O O     . ARG    A  1  123 ? 22.263  -6.326  -28.220 1.00 80.60 123 A  1 
ATOM   954  C CB    . ARG    A  1  123 ? 21.224  -4.017  -26.236 1.00 84.49 123 A  1 
ATOM   955  C CG    . ARG    A  1  123 ? 21.249  -3.331  -27.599 1.00 81.15 123 A  1 
ATOM   956  C CD    . ARG    A  1  123 ? 21.565  -1.850  -27.489 1.00 81.78 123 A  1 
ATOM   957  N NE    . ARG    A  1  123 ? 22.939  -1.626  -27.068 1.00 80.95 123 A  1 
ATOM   958  C CZ    . ARG    A  1  123 ? 23.445  -0.438  -26.746 1.00 83.42 123 A  1 
ATOM   959  N NH1   . ARG    A  1  123 ? 22.680  0.652   -26.790 1.00 74.21 123 A  1 
ATOM   960  N NH2   . ARG    A  1  123 ? 24.710  -0.328  -26.373 1.00 76.85 123 A  1 
ATOM   961  N N     . ASP    A  1  124 ? 23.185  -6.584  -26.193 1.00 83.56 124 A  1 
ATOM   962  C CA    . ASP    A  1  124 ? 24.396  -7.218  -26.710 1.00 81.99 124 A  1 
ATOM   963  C C     . ASP    A  1  124 ? 24.246  -8.725  -26.907 1.00 81.25 124 A  1 
ATOM   964  O O     . ASP    A  1  124 ? 25.155  -9.372  -27.430 1.00 75.76 124 A  1 
ATOM   965  C CB    . ASP    A  1  124 ? 25.573  -6.942  -25.767 1.00 79.24 124 A  1 
ATOM   966  C CG    . ASP    A  1  124 ? 25.969  -5.476  -25.725 1.00 75.52 124 A  1 
ATOM   967  O OD1   . ASP    A  1  124 ? 25.541  -4.710  -26.612 1.00 68.60 124 A  1 
ATOM   968  O OD2   . ASP    A  1  124 ? 26.722  -5.098  -24.811 1.00 69.65 124 A  1 
ATOM   969  N N     . ASP    A  1  125 ? 23.117  -9.270  -26.496 1.00 82.83 125 A  1 
ATOM   970  C CA    . ASP    A  1  125 ? 22.882  -10.708 -26.607 1.00 81.40 125 A  1 
ATOM   971  C C     . ASP    A  1  125 ? 22.226  -11.039 -27.947 1.00 80.40 125 A  1 
ATOM   972  O O     . ASP    A  1  125 ? 21.049  -10.759 -28.163 1.00 75.75 125 A  1 
ATOM   973  C CB    . ASP    A  1  125 ? 22.003  -11.177 -25.446 1.00 78.13 125 A  1 
ATOM   974  C CG    . ASP    A  1  125 ? 21.769  -12.683 -25.442 1.00 73.48 125 A  1 
ATOM   975  O OD1   . ASP    A  1  125 ? 22.285  -13.382 -26.334 1.00 66.80 125 A  1 
ATOM   976  O OD2   . ASP    A  1  125 ? 21.065  -13.167 -24.534 1.00 66.43 125 A  1 
ATOM   977  N N     . LYS    A  1  126 ? 22.976  -11.658 -28.826 1.00 80.79 126 A  1 
ATOM   978  C CA    . LYS    A  1  126 ? 22.470  -12.015 -30.150 1.00 79.34 126 A  1 
ATOM   979  C C     . LYS    A  1  126 ? 21.276  -12.962 -30.069 1.00 79.46 126 A  1 
ATOM   980  O O     . LYS    A  1  126 ? 20.362  -12.881 -30.889 1.00 72.89 126 A  1 
ATOM   981  C CB    . LYS    A  1  126 ? 23.585  -12.646 -30.980 1.00 75.34 126 A  1 
ATOM   982  C CG    . LYS    A  1  126 ? 24.733  -11.694 -31.267 1.00 67.96 126 A  1 
ATOM   983  C CD    . LYS    A  1  126 ? 25.838  -12.369 -32.048 1.00 58.30 126 A  1 
ATOM   984  C CE    . LYS    A  1  126 ? 26.996  -11.416 -32.290 1.00 50.41 126 A  1 
ATOM   985  N NZ    . LYS    A  1  126 ? 28.117  -12.070 -33.014 1.00 42.02 126 A  1 
ATOM   986  N N     . GLY    A  1  127 ? 21.294  -13.844 -29.099 1.00 78.32 127 A  1 
ATOM   987  C CA    . GLY    A  1  127 ? 20.184  -14.769 -28.918 1.00 76.62 127 A  1 
ATOM   988  C C     . GLY    A  1  127 ? 18.905  -14.042 -28.557 1.00 76.81 127 A  1 
ATOM   989  O O     . GLY    A  1  127 ? 17.821  -14.408 -29.014 1.00 71.69 127 A  1 
ATOM   990  N N     . TYR    A  1  128 ? 19.041  -13.012 -27.760 1.00 78.64 128 A  1 
ATOM   991  C CA    . TYR    A  1  128 ? 17.876  -12.225 -27.375 1.00 77.13 128 A  1 
ATOM   992  C C     . TYR    A  1  128 ? 17.347  -11.415 -28.556 1.00 76.44 128 A  1 
ATOM   993  O O     . TYR    A  1  128 ? 16.137  -11.302 -28.755 1.00 71.83 128 A  1 
ATOM   994  C CB    . TYR    A  1  128 ? 18.229  -11.300 -26.213 1.00 73.40 128 A  1 
ATOM   995  C CG    . TYR    A  1  128 ? 17.056  -10.477 -25.737 1.00 70.34 128 A  1 
ATOM   996  C CD1   . TYR    A  1  128 ? 16.825  -9.207  -26.244 1.00 64.96 128 A  1 
ATOM   997  C CD2   . TYR    A  1  128 ? 16.169  -10.981 -24.794 1.00 65.00 128 A  1 
ATOM   998  C CE1   . TYR    A  1  128 ? 15.740  -8.459  -25.825 1.00 61.50 128 A  1 
ATOM   999  C CE2   . TYR    A  1  128 ? 15.081  -10.238 -24.366 1.00 60.44 128 A  1 
ATOM   1000 C CZ    . TYR    A  1  128 ? 14.871  -8.976  -24.884 1.00 60.95 128 A  1 
ATOM   1001 O OH    . TYR    A  1  128 ? 13.794  -8.232  -24.470 1.00 58.64 128 A  1 
ATOM   1002 N N     . LEU    A  1  129 ? 18.242  -10.864 -29.331 1.00 77.02 129 A  1 
ATOM   1003 C CA    . LEU    A  1  129 ? 17.845  -10.063 -30.487 1.00 76.09 129 A  1 
ATOM   1004 C C     . LEU    A  1  129 ? 17.100  -10.883 -31.538 1.00 75.87 129 A  1 
ATOM   1005 O O     . LEU    A  1  129 ? 16.394  -10.322 -32.376 1.00 71.89 129 A  1 
ATOM   1006 C CB    . LEU    A  1  129 ? 19.067  -9.394  -31.118 1.00 72.20 129 A  1 
ATOM   1007 C CG    . LEU    A  1  129 ? 19.769  -8.338  -30.266 1.00 66.18 129 A  1 
ATOM   1008 C CD1   . LEU    A  1  129 ? 20.992  -7.808  -30.985 1.00 60.61 129 A  1 
ATOM   1009 C CD2   . LEU    A  1  129 ? 18.814  -7.200  -29.926 1.00 60.98 129 A  1 
ATOM   1010 N N     . ALA    A  1  130 ? 17.251  -12.183 -31.482 1.00 76.39 130 A  1 
ATOM   1011 C CA    . ALA    A  1  130 ? 16.542  -13.055 -32.409 1.00 75.08 130 A  1 
ATOM   1012 C C     . ALA    A  1  130 ? 15.028  -12.989 -32.203 1.00 74.53 130 A  1 
ATOM   1013 O O     . ALA    A  1  130 ? 14.264  -13.376 -33.085 1.00 69.89 130 A  1 
ATOM   1014 C CB    . ALA    A  1  130 ? 17.028  -14.494 -32.252 1.00 72.96 130 A  1 
ATOM   1015 N N     . ASP    A  1  131 ? 14.606  -12.491 -31.056 1.00 76.68 131 A  1 
ATOM   1016 C CA    . ASP    A  1  131 ? 13.182  -12.335 -30.776 1.00 73.88 131 A  1 
ATOM   1017 C C     . ASP    A  1  131 ? 12.593  -11.086 -31.442 1.00 72.22 131 A  1 
ATOM   1018 O O     . ASP    A  1  131 ? 11.409  -10.789 -31.271 1.00 66.64 131 A  1 
ATOM   1019 C CB    . ASP    A  1  131 ? 12.942  -12.272 -29.264 1.00 70.16 131 A  1 
ATOM   1020 C CG    . ASP    A  1  131 ? 13.309  -13.568 -28.560 1.00 64.56 131 A  1 
ATOM   1021 O OD1   . ASP    A  1  131 ? 13.331  -14.623 -29.224 1.00 58.71 131 A  1 
ATOM   1022 O OD2   . ASP    A  1  131 ? 13.560  -13.528 -27.341 1.00 58.17 131 A  1 
ATOM   1023 N N     . HIS    A  1  132 ? 13.411  -10.377 -32.183 1.00 71.68 132 A  1 
ATOM   1024 C CA    . HIS    A  1  132 ? 12.988  -9.177  -32.908 1.00 69.98 132 A  1 
ATOM   1025 C C     . HIS    A  1  132 ? 12.501  -8.059  -31.989 1.00 70.78 132 A  1 
ATOM   1026 O O     . HIS    A  1  132 ? 11.534  -7.360  -32.299 1.00 65.46 132 A  1 
ATOM   1027 C CB    . HIS    A  1  132 ? 11.903  -9.526  -33.935 1.00 64.39 132 A  1 
ATOM   1028 C CG    . HIS    A  1  132 ? 12.306  -10.604 -34.888 1.00 59.24 132 A  1 
ATOM   1029 N ND1   . HIS    A  1  132 ? 13.266  -10.426 -35.853 1.00 50.86 132 A  1 
ATOM   1030 C CD2   . HIS    A  1  132 ? 11.883  -11.877 -35.011 1.00 52.32 132 A  1 
ATOM   1031 C CE1   . HIS    A  1  132 ? 13.414  -11.556 -36.529 1.00 48.85 132 A  1 
ATOM   1032 N NE2   . HIS    A  1  132 ? 12.592  -12.451 -36.044 1.00 48.76 132 A  1 
ATOM   1033 N N     . THR    A  1  133 ? 13.190  -7.896  -30.887 1.00 76.69 133 A  1 
ATOM   1034 C CA    . THR    A  1  133 ? 12.862  -6.825  -29.952 1.00 74.19 133 A  1 
ATOM   1035 C C     . THR    A  1  133 ? 13.517  -5.525  -30.408 1.00 74.79 133 A  1 
ATOM   1036 O O     . THR    A  1  133 ? 14.696  -5.512  -30.760 1.00 68.96 133 A  1 
ATOM   1037 C CB    . THR    A  1  133 ? 13.345  -7.169  -28.544 1.00 69.17 133 A  1 
ATOM   1038 O OG1   . THR    A  1  133 ? 12.755  -8.409  -28.132 1.00 61.90 133 A  1 
ATOM   1039 C CG2   . THR    A  1  133 ? 12.962  -6.081  -27.556 1.00 60.01 133 A  1 
ATOM   1040 N N     . ASN    A  1  134 ? 12.743  -4.458  -30.400 1.00 80.57 134 A  1 
ATOM   1041 C CA    . ASN    A  1  134 ? 13.299  -3.152  -30.735 1.00 80.76 134 A  1 
ATOM   1042 C C     . ASN    A  1  134 ? 14.301  -2.734  -29.670 1.00 82.52 134 A  1 
ATOM   1043 O O     . ASN    A  1  134 ? 14.018  -2.827  -28.477 1.00 77.78 134 A  1 
ATOM   1044 C CB    . ASN    A  1  134 ? 12.194  -2.105  -30.838 1.00 75.42 134 A  1 
ATOM   1045 C CG    . ASN    A  1  134 ? 11.317  -2.307  -32.052 1.00 68.89 134 A  1 
ATOM   1046 O OD1   . ASN    A  1  134 ? 11.784  -2.708  -33.116 1.00 60.47 134 A  1 
ATOM   1047 N ND2   . ASN    A  1  134 ? 10.032  -2.026  -31.903 1.00 61.07 134 A  1 
ATOM   1048 N N     . VAL    A  1  135 ? 15.452  -2.271  -30.116 1.00 84.94 135 A  1 
ATOM   1049 C CA    . VAL    A  1  135 ? 16.485  -1.836  -29.184 1.00 85.59 135 A  1 
ATOM   1050 C C     . VAL    A  1  135 ? 16.873  -0.394  -29.463 1.00 86.49 135 A  1 
ATOM   1051 O O     . VAL    A  1  135 ? 16.615  0.140   -30.542 1.00 83.61 135 A  1 
ATOM   1052 C CB    . VAL    A  1  135 ? 17.737  -2.730  -29.258 1.00 83.08 135 A  1 
ATOM   1053 C CG1   . VAL    A  1  135 ? 17.380  -4.168  -28.910 1.00 73.25 135 A  1 
ATOM   1054 C CG2   . VAL    A  1  135 ? 18.383  -2.655  -30.632 1.00 74.05 135 A  1 
ATOM   1055 N N     . ILE    A  1  136 ? 17.490  0.207   -28.472 1.00 88.43 136 A  1 
ATOM   1056 C CA    . ILE    A  1  136 ? 17.923  1.594   -28.575 1.00 89.28 136 A  1 
ATOM   1057 C C     . ILE    A  1  136 ? 19.436  1.627   -28.725 1.00 89.56 136 A  1 
ATOM   1058 O O     . ILE    A  1  136 ? 20.156  1.031   -27.927 1.00 87.08 136 A  1 
ATOM   1059 C CB    . ILE    A  1  136 ? 17.509  2.394   -27.328 1.00 88.21 136 A  1 
ATOM   1060 C CG1   . ILE    A  1  136 ? 16.003  2.252   -27.074 1.00 82.47 136 A  1 
ATOM   1061 C CG2   . ILE    A  1  136 ? 17.911  3.855   -27.467 1.00 80.48 136 A  1 
ATOM   1062 C CD1   . ILE    A  1  136 ? 15.127  2.723   -28.209 1.00 74.64 136 A  1 
ATOM   1063 N N     . THR    A  1  137 ? 19.907  2.323   -29.739 1.00 88.89 137 A  1 
ATOM   1064 C CA    . THR    A  1  137 ? 21.344  2.432   -29.959 1.00 88.72 137 A  1 
ATOM   1065 C C     . THR    A  1  137 ? 21.949  3.484   -29.042 1.00 89.54 137 A  1 
ATOM   1066 O O     . THR    A  1  137 ? 21.244  4.330   -28.490 1.00 87.33 137 A  1 
ATOM   1067 C CB    . THR    A  1  137 ? 21.661  2.815   -31.407 1.00 86.56 137 A  1 
ATOM   1068 O OG1   . THR    A  1  137 ? 21.190  4.137   -31.657 1.00 76.96 137 A  1 
ATOM   1069 C CG2   . THR    A  1  137 ? 21.020  1.846   -32.387 1.00 74.38 137 A  1 
ATOM   1070 N N     . SER    A  1  138 ? 23.259  3.440   -28.914 1.00 89.79 138 A  1 
ATOM   1071 C CA    . SER    A  1  138 ? 23.960  4.439   -28.113 1.00 90.21 138 A  1 
ATOM   1072 C C     . SER    A  1  138 ? 23.751  5.833   -28.695 1.00 90.80 138 A  1 
ATOM   1073 O O     . SER    A  1  138 ? 23.656  6.811   -27.957 1.00 87.88 138 A  1 
ATOM   1074 C CB    . SER    A  1  138 ? 25.448  4.116   -28.039 1.00 88.39 138 A  1 
ATOM   1075 O OG    . SER    A  1  138 ? 25.661  2.878   -27.384 1.00 78.25 138 A  1 
ATOM   1076 N N     . THR    A  1  139 ? 23.678  5.902   -30.007 1.00 92.05 139 A  1 
ATOM   1077 C CA    . THR    A  1  139 ? 23.447  7.182   -30.672 1.00 92.05 139 A  1 
ATOM   1078 C C     . THR    A  1  139 ? 22.080  7.752   -30.296 1.00 92.20 139 A  1 
ATOM   1079 O O     . THR    A  1  139 ? 21.952  8.942   -30.006 1.00 89.58 139 A  1 
ATOM   1080 C CB    . THR    A  1  139 ? 23.547  7.028   -32.193 1.00 90.68 139 A  1 
ATOM   1081 O OG1   . THR    A  1  139 ? 24.854  6.559   -32.538 1.00 78.88 139 A  1 
ATOM   1082 C CG2   . THR    A  1  139 ? 23.295  8.357   -32.890 1.00 73.85 139 A  1 
ATOM   1083 N N     . GLN    A  1  140 ? 21.084  6.900   -30.299 1.00 91.69 140 A  1 
ATOM   1084 C CA    . GLN    A  1  140 ? 19.743  7.334   -29.917 1.00 91.38 140 A  1 
ATOM   1085 C C     . GLN    A  1  140 ? 19.711  7.797   -28.465 1.00 91.92 140 A  1 
ATOM   1086 O O     . GLN    A  1  140 ? 19.024  8.759   -28.124 1.00 89.72 140 A  1 
ATOM   1087 C CB    . GLN    A  1  140 ? 18.741  6.202   -30.129 1.00 89.66 140 A  1 
ATOM   1088 C CG    . GLN    A  1  140 ? 18.444  5.910   -31.588 1.00 85.70 140 A  1 
ATOM   1089 C CD    . GLN    A  1  140 ? 17.539  4.710   -31.762 1.00 83.47 140 A  1 
ATOM   1090 O OE1   . GLN    A  1  140 ? 17.847  3.622   -31.284 1.00 74.59 140 A  1 
ATOM   1091 N NE2   . GLN    A  1  140 ? 16.423  4.894   -32.445 1.00 72.71 140 A  1 
ATOM   1092 N N     . GLY    A  1  141 ? 20.450  7.100   -27.626 1.00 90.60 141 A  1 
ATOM   1093 C CA    . GLY    A  1  141 ? 20.525  7.489   -26.225 1.00 90.58 141 A  1 
ATOM   1094 C C     . GLY    A  1  141 ? 21.155  8.856   -26.061 1.00 91.58 141 A  1 
ATOM   1095 O O     . GLY    A  1  141 ? 20.680  9.685   -25.282 1.00 89.36 141 A  1 
ATOM   1096 N N     . GLU    A  1  142 ? 22.216  9.091   -26.798 1.00 92.62 142 A  1 
ATOM   1097 C CA    . GLU    A  1  142 ? 22.896  10.383  -26.741 1.00 92.86 142 A  1 
ATOM   1098 C C     . GLU    A  1  142 ? 22.003  11.500  -27.281 1.00 93.20 142 A  1 
ATOM   1099 O O     . GLU    A  1  142 ? 21.993  12.610  -26.745 1.00 90.93 142 A  1 
ATOM   1100 C CB    . GLU    A  1  142 ? 24.211  10.316  -27.518 1.00 91.27 142 A  1 
ATOM   1101 C CG    . GLU    A  1  142 ? 24.964  11.633  -27.631 1.00 80.07 142 A  1 
ATOM   1102 C CD    . GLU    A  1  142 ? 25.383  12.218  -26.294 1.00 79.28 142 A  1 
ATOM   1103 O OE1   . GLU    A  1  142 ? 25.370  11.491  -25.278 1.00 72.75 142 A  1 
ATOM   1104 O OE2   . GLU    A  1  142 ? 25.726  13.413  -26.260 1.00 72.35 142 A  1 
ATOM   1105 N N     . GLU    A  1  143 ? 21.255  11.203  -28.323 1.00 93.37 143 A  1 
ATOM   1106 C CA    . GLU    A  1  143 ? 20.325  12.186  -28.875 1.00 93.17 143 A  1 
ATOM   1107 C C     . GLU    A  1  143 ? 19.269  12.562  -27.837 1.00 93.30 143 A  1 
ATOM   1108 O O     . GLU    A  1  143 ? 18.919  13.734  -27.687 1.00 90.65 143 A  1 
ATOM   1109 C CB    . GLU    A  1  143 ? 19.653  11.637  -30.134 1.00 91.95 143 A  1 
ATOM   1110 C CG    . GLU    A  1  143 ? 20.583  11.541  -31.333 1.00 79.34 143 A  1 
ATOM   1111 C CD    . GLU    A  1  143 ? 19.956  10.822  -32.517 1.00 71.58 143 A  1 
ATOM   1112 O OE1   . GLU    A  1  143 ? 18.872  10.225  -32.347 1.00 63.04 143 A  1 
ATOM   1113 O OE2   . GLU    A  1  143 ? 20.551  10.848  -33.613 1.00 63.33 143 A  1 
ATOM   1114 N N     . LEU    A  1  144 ? 18.790  11.562  -27.136 1.00 91.99 144 A  1 
ATOM   1115 C CA    . LEU    A  1  144 ? 17.791  11.813  -26.101 1.00 91.95 144 A  1 
ATOM   1116 C C     . LEU    A  1  144 ? 18.386  12.648  -24.974 1.00 92.11 144 A  1 
ATOM   1117 O O     . LEU    A  1  144 ? 17.735  13.557  -24.458 1.00 89.84 144 A  1 
ATOM   1118 C CB    . LEU    A  1  144 ? 17.245  10.493  -25.561 1.00 90.57 144 A  1 
ATOM   1119 C CG    . LEU    A  1  144 ? 16.156  10.591  -24.487 1.00 87.70 144 A  1 
ATOM   1120 C CD1   . LEU    A  1  144 ? 14.957  11.374  -24.991 1.00 79.48 144 A  1 
ATOM   1121 C CD2   . LEU    A  1  144 ? 15.733  9.195   -24.057 1.00 80.35 144 A  1 
ATOM   1122 N N     . ARG    A  1  145 ? 19.627  12.340  -24.607 1.00 92.50 145 A  1 
ATOM   1123 C CA    . ARG    A  1  145 ? 20.298  13.106  -23.560 1.00 92.71 145 A  1 
ATOM   1124 C C     . ARG    A  1  145 ? 20.322  14.592  -23.904 1.00 92.26 145 A  1 
ATOM   1125 O O     . ARG    A  1  145 ? 20.011  15.439  -23.069 1.00 90.16 145 A  1 
ATOM   1126 C CB    . ARG    A  1  145 ? 21.733  12.618  -23.358 1.00 91.87 145 A  1 
ATOM   1127 C CG    . ARG    A  1  145 ? 22.452  13.362  -22.246 1.00 87.48 145 A  1 
ATOM   1128 C CD    . ARG    A  1  145 ? 23.950  13.189  -22.284 1.00 86.78 145 A  1 
ATOM   1129 N NE    . ARG    A  1  145 ? 24.552  13.800  -23.462 1.00 82.94 145 A  1 
ATOM   1130 C CZ    . ARG    A  1  145 ? 24.730  15.110  -23.632 1.00 80.95 145 A  1 
ATOM   1131 N NH1   . ARG    A  1  145 ? 24.347  15.969  -22.693 1.00 70.35 145 A  1 
ATOM   1132 N NH2   . ARG    A  1  145 ? 25.289  15.565  -24.740 1.00 74.14 145 A  1 
ATOM   1133 N N     . LYS    A  1  146 ? 20.701  14.881  -25.130 1.00 92.27 146 A  1 
ATOM   1134 C CA    . LYS    A  1  146 ? 20.763  16.273  -25.567 1.00 91.92 146 A  1 
ATOM   1135 C C     . LYS    A  1  146 ? 19.378  16.909  -25.587 1.00 90.97 146 A  1 
ATOM   1136 O O     . LYS    A  1  146 ? 19.214  18.065  -25.205 1.00 88.26 146 A  1 
ATOM   1137 C CB    . LYS    A  1  146 ? 21.396  16.363  -26.953 1.00 91.01 146 A  1 
ATOM   1138 C CG    . LYS    A  1  146 ? 22.865  15.981  -26.986 1.00 83.02 146 A  1 
ATOM   1139 C CD    . LYS    A  1  146 ? 23.431  16.089  -28.386 1.00 80.68 146 A  1 
ATOM   1140 C CE    . LYS    A  1  146 ? 24.905  15.721  -28.418 1.00 70.79 146 A  1 
ATOM   1141 N NZ    . LYS    A  1  146 ? 25.478  15.809  -29.788 1.00 62.36 146 A  1 
ATOM   1142 N N     . GLN    A  1  147 ? 18.419  16.145  -26.030 1.00 92.50 147 A  1 
ATOM   1143 C CA    . GLN    A  1  147 ? 17.063  16.659  -26.148 1.00 91.95 147 A  1 
ATOM   1144 C C     . GLN    A  1  147 ? 16.461  17.039  -24.796 1.00 91.63 147 A  1 
ATOM   1145 O O     . GLN    A  1  147 ? 15.755  18.042  -24.687 1.00 88.14 147 A  1 
ATOM   1146 C CB    . GLN    A  1  147 ? 16.183  15.631  -26.852 1.00 90.31 147 A  1 
ATOM   1147 C CG    . GLN    A  1  147 ? 14.798  16.135  -27.212 1.00 80.93 147 A  1 
ATOM   1148 C CD    . GLN    A  1  147 ? 14.038  15.157  -28.086 1.00 78.77 147 A  1 
ATOM   1149 O OE1   . GLN    A  1  147 ? 14.449  14.008  -28.258 1.00 70.44 147 A  1 
ATOM   1150 N NE2   . GLN    A  1  147 ? 12.929  15.607  -28.655 1.00 68.34 147 A  1 
ATOM   1151 N N     . ILE    A  1  148 ? 16.745  16.252  -23.785 1.00 91.18 148 A  1 
ATOM   1152 C CA    . ILE    A  1  148 ? 16.177  16.524  -22.462 1.00 90.26 148 A  1 
ATOM   1153 C C     . ILE    A  1  148 ? 17.102  17.356  -21.577 1.00 89.85 148 A  1 
ATOM   1154 O O     . ILE    A  1  148 ? 16.721  17.749  -20.472 1.00 86.25 148 A  1 
ATOM   1155 C CB    . ILE    A  1  148 ? 15.806  15.219  -21.726 1.00 88.94 148 A  1 
ATOM   1156 C CG1   . ILE    A  1  148 ? 17.062  14.429  -21.353 1.00 80.80 148 A  1 
ATOM   1157 C CG2   . ILE    A  1  148 ? 14.857  14.382  -22.572 1.00 78.84 148 A  1 
ATOM   1158 C CD1   . ILE    A  1  148 ? 16.799  13.211  -20.487 1.00 77.95 148 A  1 
ATOM   1159 N N     . GLY    A  1  149 ? 18.301  17.599  -22.053 1.00 89.88 149 A  1 
ATOM   1160 C CA    . GLY    A  1  149 ? 19.247  18.392  -21.281 1.00 89.44 149 A  1 
ATOM   1161 C C     . GLY    A  1  149 ? 19.861  17.656  -20.103 1.00 90.08 149 A  1 
ATOM   1162 O O     . GLY    A  1  149 ? 20.254  18.276  -19.119 1.00 86.47 149 A  1 
ATOM   1163 N N     . ALA    A  1  150 ? 19.949  16.342  -20.203 1.00 89.61 150 A  1 
ATOM   1164 C CA    . ALA    A  1  150 ? 20.550  15.556  -19.127 1.00 90.46 150 A  1 
ATOM   1165 C C     . ALA    A  1  150 ? 22.051  15.829  -19.044 1.00 90.72 150 A  1 
ATOM   1166 O O     . ALA    A  1  150 ? 22.710  16.050  -20.060 1.00 88.15 150 A  1 
ATOM   1167 C CB    . ALA    A  1  150 ? 20.294  14.070  -19.343 1.00 89.42 150 A  1 
ATOM   1168 N N     . ALA    A  1  151 ? 22.575  15.796  -17.830 1.00 91.23 151 A  1 
ATOM   1169 C CA    . ALA    A  1  151 ? 23.992  16.068  -17.619 1.00 91.19 151 A  1 
ATOM   1170 C C     . ALA    A  1  151 ? 24.890  14.975  -18.192 1.00 91.57 151 A  1 
ATOM   1171 O O     . ALA    A  1  151 ? 26.039  15.235  -18.545 1.00 88.49 151 A  1 
ATOM   1172 C CB    . ALA    A  1  151 ? 24.270  16.247  -16.130 1.00 89.56 151 A  1 
ATOM   1173 N N     . ALA    A  1  152 ? 24.365  13.763  -18.276 1.00 92.06 152 A  1 
ATOM   1174 C CA    . ALA    A  1  152 ? 25.151  12.647  -18.789 1.00 91.94 152 A  1 
ATOM   1175 C C     . ALA    A  1  152 ? 24.249  11.517  -19.258 1.00 92.17 152 A  1 
ATOM   1176 O O     . ALA    A  1  152 ? 23.079  11.450  -18.881 1.00 89.61 152 A  1 
ATOM   1177 C CB    . ALA    A  1  152 ? 26.108  12.136  -17.720 1.00 90.32 152 A  1 
ATOM   1178 N N     . TYR    A  1  153 ? 24.819  10.651  -20.076 1.00 91.82 153 A  1 
ATOM   1179 C CA    . TYR    A  1  153 ? 24.126  9.456   -20.547 1.00 92.34 153 A  1 
ATOM   1180 C C     . TYR    A  1  153 ? 25.057  8.267   -20.368 1.00 92.48 153 A  1 
ATOM   1181 O O     . TYR    A  1  153 ? 26.202  8.304   -20.817 1.00 90.16 153 A  1 
ATOM   1182 C CB    . TYR    A  1  153 ? 23.731  9.581   -22.020 1.00 91.24 153 A  1 
ATOM   1183 C CG    . TYR    A  1  153 ? 23.230  8.280   -22.616 1.00 90.69 153 A  1 
ATOM   1184 C CD1   . TYR    A  1  153 ? 22.085  7.666   -22.126 1.00 85.14 153 A  1 
ATOM   1185 C CD2   . TYR    A  1  153 ? 23.910  7.658   -23.659 1.00 85.65 153 A  1 
ATOM   1186 C CE1   . TYR    A  1  153 ? 21.628  6.466   -22.653 1.00 84.69 153 A  1 
ATOM   1187 C CE2   . TYR    A  1  153 ? 23.462  6.460   -24.195 1.00 83.73 153 A  1 
ATOM   1188 C CZ    . TYR    A  1  153 ? 22.319  5.866   -23.690 1.00 87.80 153 A  1 
ATOM   1189 O OH    . TYR    A  1  153 ? 21.866  4.677   -24.213 1.00 86.44 153 A  1 
ATOM   1190 N N     . ILE    A  1  154 ? 24.557  7.235   -19.724 1.00 92.98 154 A  1 
ATOM   1191 C CA    . ILE    A  1  154 ? 25.356  6.039   -19.464 1.00 93.19 154 A  1 
ATOM   1192 C C     . ILE    A  1  154 ? 24.520  4.799   -19.744 1.00 93.08 154 A  1 
ATOM   1193 O O     . ILE    A  1  154 ? 23.335  4.759   -19.420 1.00 89.91 154 A  1 
ATOM   1194 C CB    . ILE    A  1  154 ? 25.846  5.998   -18.001 1.00 91.45 154 A  1 
ATOM   1195 C CG1   . ILE    A  1  154 ? 26.667  7.250   -17.682 1.00 76.63 154 A  1 
ATOM   1196 C CG2   . ILE    A  1  154 ? 26.663  4.742   -17.733 1.00 76.57 154 A  1 
ATOM   1197 C CD1   . ILE    A  1  154 ? 27.009  7.406   -16.223 1.00 74.09 154 A  1 
ATOM   1198 N N     . GLU    A  1  155 ? 25.144  3.801   -20.341 1.00 92.07 155 A  1 
ATOM   1199 C CA    . GLU    A  1  155 ? 24.490  2.518   -20.572 1.00 92.08 155 A  1 
ATOM   1200 C C     . GLU    A  1  155 ? 25.051  1.509   -19.582 1.00 92.06 155 A  1 
ATOM   1201 O O     . GLU    A  1  155 ? 26.263  1.445   -19.384 1.00 89.39 155 A  1 
ATOM   1202 C CB    . GLU    A  1  155 ? 24.718  2.047   -22.007 1.00 90.14 155 A  1 
ATOM   1203 C CG    . GLU    A  1  155 ? 24.104  2.970   -23.043 1.00 86.66 155 A  1 
ATOM   1204 C CD    . GLU    A  1  155 ? 24.332  2.507   -24.470 1.00 87.82 155 A  1 
ATOM   1205 O OE1   . GLU    A  1  155 ? 25.269  1.717   -24.702 1.00 81.68 155 A  1 
ATOM   1206 O OE2   . GLU    A  1  155 ? 23.576  2.939   -25.361 1.00 82.86 155 A  1 
ATOM   1207 N N     . CYS    A  1  156 ? 24.177  0.740   -18.979 1.00 91.34 156 A  1 
ATOM   1208 C CA    . CYS    A  1  156 ? 24.636  -0.216  -17.978 1.00 91.08 156 A  1 
ATOM   1209 C C     . CYS    A  1  156 ? 23.838  -1.514  -18.006 1.00 91.08 156 A  1 
ATOM   1210 O O     . CYS    A  1  156 ? 22.780  -1.601  -18.628 1.00 88.49 156 A  1 
ATOM   1211 C CB    . CYS    A  1  156 ? 24.554  0.395   -16.579 1.00 89.02 156 A  1 
ATOM   1212 S SG    . CYS    A  1  156 ? 22.874  0.576   -15.947 1.00 84.49 156 A  1 
ATOM   1213 N N     . SER    A  1  157 ? 24.374  -2.499  -17.320 1.00 91.46 157 A  1 
ATOM   1214 C CA    . SER    A  1  157 ? 23.699  -3.777  -17.146 1.00 91.54 157 A  1 
ATOM   1215 C C     . SER    A  1  157 ? 23.809  -4.191  -15.687 1.00 91.25 157 A  1 
ATOM   1216 O O     . SER    A  1  157 ? 24.914  -4.331  -15.166 1.00 88.29 157 A  1 
ATOM   1217 C CB    . SER    A  1  157 ? 24.322  -4.853  -18.026 1.00 90.44 157 A  1 
ATOM   1218 O OG    . SER    A  1  157 ? 23.814  -6.135  -17.676 1.00 82.26 157 A  1 
ATOM   1219 N N     . SER    A  1  158 ? 22.680  -4.377  -15.049 1.00 90.65 158 A  1 
ATOM   1220 C CA    . SER    A  1  158 ? 22.692  -4.847  -13.668 1.00 90.20 158 A  1 
ATOM   1221 C C     . SER    A  1  158 ? 23.127  -6.307  -13.602 1.00 89.92 158 A  1 
ATOM   1222 O O     . SER    A  1  158 ? 23.788  -6.718  -12.649 1.00 87.01 158 A  1 
ATOM   1223 C CB    . SER    A  1  158 ? 21.313  -4.688  -13.035 1.00 89.09 158 A  1 
ATOM   1224 O OG    . SER    A  1  158 ? 20.945  -3.327  -12.966 1.00 80.50 158 A  1 
ATOM   1225 N N     . LYS    A  1  159 ? 22.762  -7.061  -14.606 1.00 90.02 159 A  1 
ATOM   1226 C CA    . LYS    A  1  159 ? 23.089  -8.482  -14.617 1.00 89.98 159 A  1 
ATOM   1227 C C     . LYS    A  1  159 ? 24.596  -8.721  -14.664 1.00 89.74 159 A  1 
ATOM   1228 O O     . LYS    A  1  159 ? 25.113  -9.591  -13.962 1.00 86.73 159 A  1 
ATOM   1229 C CB    . LYS    A  1  159 ? 22.405  -9.166  -15.798 1.00 88.52 159 A  1 
ATOM   1230 C CG    . LYS    A  1  159 ? 22.526  -10.678 -15.771 1.00 85.13 159 A  1 
ATOM   1231 C CD    . LYS    A  1  159 ? 21.721  -11.318 -16.882 1.00 80.75 159 A  1 
ATOM   1232 C CE    . LYS    A  1  159 ? 21.803  -12.831 -16.812 1.00 75.06 159 A  1 
ATOM   1233 N NZ    . LYS    A  1  159 ? 21.013  -13.482 -17.890 1.00 67.49 159 A  1 
ATOM   1234 N N     . THR    A  1  160 ? 25.287  -7.957  -15.478 1.00 90.20 160 A  1 
ATOM   1235 C CA    . THR    A  1  160 ? 26.745  -8.079  -15.580 1.00 89.29 160 A  1 
ATOM   1236 C C     . THR    A  1  160 ? 27.464  -7.040  -14.722 1.00 89.26 160 A  1 
ATOM   1237 O O     . THR    A  1  160 ? 28.682  -7.108  -14.560 1.00 84.62 160 A  1 
ATOM   1238 C CB    . THR    A  1  160 ? 27.218  -7.908  -17.031 1.00 87.47 160 A  1 
ATOM   1239 O OG1   . THR    A  1  160 ? 26.994  -6.559  -17.450 1.00 77.14 160 A  1 
ATOM   1240 C CG2   . THR    A  1  160 ? 26.489  -8.858  -17.964 1.00 74.83 160 A  1 
ATOM   1241 N N     . GLN    A  1  161 ? 26.708  -6.094  -14.208 1.00 90.56 161 A  1 
ATOM   1242 C CA    . GLN    A  1  161 ? 27.218  -4.978  -13.412 1.00 90.53 161 A  1 
ATOM   1243 C C     . GLN    A  1  161 ? 28.080  -4.008  -14.217 1.00 91.13 161 A  1 
ATOM   1244 O O     . GLN    A  1  161 ? 28.783  -3.172  -13.647 1.00 87.23 161 A  1 
ATOM   1245 C CB    . GLN    A  1  161 ? 27.969  -5.473  -12.173 1.00 87.97 161 A  1 
ATOM   1246 C CG    . GLN    A  1  161 ? 27.085  -6.275  -11.227 1.00 80.24 161 A  1 
ATOM   1247 C CD    . GLN    A  1  161 ? 27.723  -6.516  -9.875  1.00 74.34 161 A  1 
ATOM   1248 O OE1   . GLN    A  1  161 ? 28.648  -5.819  -9.481  1.00 66.52 161 A  1 
ATOM   1249 N NE2   . GLN    A  1  161 ? 27.219  -7.505  -9.149  1.00 63.46 161 A  1 
ATOM   1250 N N     . GLN    A  1  162 ? 28.009  -4.105  -15.523 1.00 90.74 162 A  1 
ATOM   1251 C CA    . GLN    A  1  162 ? 28.766  -3.195  -16.369 1.00 90.76 162 A  1 
ATOM   1252 C C     . GLN    A  1  162 ? 28.236  -1.769  -16.226 1.00 90.94 162 A  1 
ATOM   1253 O O     . GLN    A  1  162 ? 27.054  -1.513  -16.430 1.00 87.54 162 A  1 
ATOM   1254 C CB    . GLN    A  1  162 ? 28.694  -3.631  -17.830 1.00 89.05 162 A  1 
ATOM   1255 C CG    . GLN    A  1  162 ? 29.505  -2.746  -18.769 1.00 80.99 162 A  1 
ATOM   1256 C CD    . GLN    A  1  162 ? 29.458  -3.218  -20.210 1.00 76.99 162 A  1 
ATOM   1257 O OE1   . GLN    A  1  162 ? 28.876  -4.257  -20.518 1.00 69.87 162 A  1 
ATOM   1258 N NE2   . GLN    A  1  162 ? 30.073  -2.458  -21.103 1.00 66.61 162 A  1 
ATOM   1259 N N     . ASN    A  1  163 ? 29.130  -0.868  -15.863 1.00 88.92 163 A  1 
ATOM   1260 C CA    . ASN    A  1  163 ? 28.836  0.558   -15.729 1.00 89.74 163 A  1 
ATOM   1261 C C     . ASN    A  1  163 ? 27.844  0.928   -14.624 1.00 90.00 163 A  1 
ATOM   1262 O O     . ASN    A  1  163 ? 27.429  2.083   -14.539 1.00 84.99 163 A  1 
ATOM   1263 C CB    . ASN    A  1  163 ? 28.352  1.149   -17.060 1.00 87.65 163 A  1 
ATOM   1264 C CG    . ASN    A  1  163 ? 29.471  1.297   -18.067 1.00 87.17 163 A  1 
ATOM   1265 O OD1   . ASN    A  1  163 ? 30.639  1.393   -17.703 1.00 77.00 163 A  1 
ATOM   1266 N ND2   . ASN    A  1  163 ? 29.115  1.313   -19.345 1.00 77.46 163 A  1 
ATOM   1267 N N     . VAL    A  1  164 ? 27.496  -0.019  -13.786 1.00 90.23 164 A  1 
ATOM   1268 C CA    . VAL    A  1  164 ? 26.559  0.305   -12.707 1.00 90.26 164 A  1 
ATOM   1269 C C     . VAL    A  1  164 ? 27.181  1.315   -11.745 1.00 89.91 164 A  1 
ATOM   1270 O O     . VAL    A  1  164 ? 26.547  2.304   -11.370 1.00 87.15 164 A  1 
ATOM   1271 C CB    . VAL    A  1  164 ? 26.108  -0.961  -11.958 1.00 89.12 164 A  1 
ATOM   1272 C CG1   . VAL    A  1  164 ? 25.323  -0.597  -10.701 1.00 79.42 164 A  1 
ATOM   1273 C CG2   . VAL    A  1  164 ? 25.247  -1.824  -12.868 1.00 80.23 164 A  1 
ATOM   1274 N N     . LYS    A  1  165 ? 28.417  1.077   -11.357 1.00 90.39 165 A  1 
ATOM   1275 C CA    . LYS    A  1  165 ? 29.085  2.032   -10.476 1.00 89.91 165 A  1 
ATOM   1276 C C     . LYS    A  1  165 ? 29.319  3.363   -11.179 1.00 90.29 165 A  1 
ATOM   1277 O O     . LYS    A  1  165 ? 29.284  4.418   -10.545 1.00 88.54 165 A  1 
ATOM   1278 C CB    . LYS    A  1  165 ? 30.410  1.460   -9.969  1.00 87.99 165 A  1 
ATOM   1279 C CG    . LYS    A  1  165 ? 30.243  0.325   -8.976  1.00 81.19 165 A  1 
ATOM   1280 C CD    . LYS    A  1  165 ? 31.570  -0.081  -8.357  1.00 76.01 165 A  1 
ATOM   1281 C CE    . LYS    A  1  165 ? 31.395  -1.248  -7.393  1.00 67.48 165 A  1 
ATOM   1282 N NZ    . LYS    A  1  165 ? 30.495  -0.925  -6.251  1.00 60.11 165 A  1 
ATOM   1283 N N     . ALA    A  1  166 ? 29.547  3.315   -12.473 1.00 90.85 166 A  1 
ATOM   1284 C CA    . ALA    A  1  166 ? 29.761  4.538   -13.240 1.00 91.08 166 A  1 
ATOM   1285 C C     . ALA    A  1  166 ? 28.530  5.441   -13.199 1.00 91.53 166 A  1 
ATOM   1286 O O     . ALA    A  1  166 ? 28.656  6.665   -13.203 1.00 88.62 166 A  1 
ATOM   1287 C CB    . ALA    A  1  166 ? 30.121  4.202   -14.681 1.00 89.93 166 A  1 
ATOM   1288 N N     . VAL    A  1  167 ? 27.363  4.830   -13.171 1.00 90.03 167 A  1 
ATOM   1289 C CA    . VAL    A  1  167 ? 26.119  5.600   -13.104 1.00 90.05 167 A  1 
ATOM   1290 C C     . VAL    A  1  167 ? 26.106  6.501   -11.874 1.00 89.98 167 A  1 
ATOM   1291 O O     . VAL    A  1  167 ? 25.862  7.708   -11.967 1.00 87.71 167 A  1 
ATOM   1292 C CB    . VAL    A  1  167 ? 24.892  4.668   -13.074 1.00 89.15 167 A  1 
ATOM   1293 C CG1   . VAL    A  1  167 ? 23.626  5.453   -12.734 1.00 79.24 167 A  1 
ATOM   1294 C CG2   . VAL    A  1  167 ? 24.730  3.962   -14.412 1.00 80.89 167 A  1 
ATOM   1295 N N     . PHE    A  1  168 ? 26.376  5.914   -10.735 1.00 90.27 168 A  1 
ATOM   1296 C CA    . PHE    A  1  168 ? 26.279  6.667   -9.493  1.00 89.83 168 A  1 
ATOM   1297 C C     . PHE    A  1  168 ? 27.494  7.542   -9.223  1.00 90.06 168 A  1 
ATOM   1298 O O     . PHE    A  1  168 ? 27.364  8.605   -8.614  1.00 86.90 168 A  1 
ATOM   1299 C CB    . PHE    A  1  168 ? 25.979  5.709   -8.347  1.00 88.45 168 A  1 
ATOM   1300 C CG    . PHE    A  1  168 ? 24.664  5.003   -8.524  1.00 87.81 168 A  1 
ATOM   1301 C CD1   . PHE    A  1  168 ? 23.476  5.648   -8.221  1.00 81.01 168 A  1 
ATOM   1302 C CD2   . PHE    A  1  168 ? 24.611  3.725   -9.056  1.00 81.23 168 A  1 
ATOM   1303 C CE1   . PHE    A  1  168 ? 22.260  5.024   -8.433  1.00 79.98 168 A  1 
ATOM   1304 C CE2   . PHE    A  1  168 ? 23.393  3.098   -9.272  1.00 78.59 168 A  1 
ATOM   1305 C CZ    . PHE    A  1  168 ? 22.216  3.750   -8.957  1.00 82.75 168 A  1 
ATOM   1306 N N     . ASP    A  1  169 ? 28.643  7.119   -9.693  1.00 90.02 169 A  1 
ATOM   1307 C CA    . ASP    A  1  169 ? 29.815  7.986   -9.593  1.00 89.69 169 A  1 
ATOM   1308 C C     . ASP    A  1  169 ? 29.581  9.258   -10.407 1.00 90.23 169 A  1 
ATOM   1309 O O     . ASP    A  1  169 ? 29.908  10.361  -9.964  1.00 88.26 169 A  1 
ATOM   1310 C CB    . ASP    A  1  169 ? 31.068  7.273   -10.101 1.00 87.89 169 A  1 
ATOM   1311 C CG    . ASP    A  1  169 ? 31.595  6.234   -9.122  1.00 84.11 169 A  1 
ATOM   1312 O OD1   . ASP    A  1  169 ? 31.141  6.206   -7.962  1.00 76.74 169 A  1 
ATOM   1313 O OD2   . ASP    A  1  169 ? 32.477  5.450   -9.523  1.00 76.84 169 A  1 
ATOM   1314 N N     . THR    A  1  170 ? 29.006  9.094   -11.580 1.00 90.05 170 A  1 
ATOM   1315 C CA    . THR    A  1  170 ? 28.703  10.241  -12.431 1.00 90.28 170 A  1 
ATOM   1316 C C     . THR    A  1  170 ? 27.658  11.139  -11.775 1.00 90.55 170 A  1 
ATOM   1317 O O     . THR    A  1  170 ? 27.780  12.365  -11.794 1.00 88.37 170 A  1 
ATOM   1318 C CB    . THR    A  1  170 ? 28.208  9.785   -13.809 1.00 89.48 170 A  1 
ATOM   1319 O OG1   . THR    A  1  170 ? 29.232  9.023   -14.453 1.00 77.88 170 A  1 
ATOM   1320 C CG2   . THR    A  1  170 ? 27.849  10.977  -14.686 1.00 76.04 170 A  1 
ATOM   1321 N N     . ALA    A  1  171 ? 26.654  10.520  -11.204 1.00 90.54 171 A  1 
ATOM   1322 C CA    . ALA    A  1  171 ? 25.616  11.284  -10.519 1.00 90.42 171 A  1 
ATOM   1323 C C     . ALA    A  1  171 ? 26.222  12.140  -9.407  1.00 90.35 171 A  1 
ATOM   1324 O O     . ALA    A  1  171 ? 25.888  13.318  -9.264  1.00 88.22 171 A  1 
ATOM   1325 C CB    . ALA    A  1  171 ? 24.560  10.347  -9.953  1.00 89.76 171 A  1 
ATOM   1326 N N     . ILE    A  1  172 ? 27.112  11.553  -8.640  1.00 89.99 172 A  1 
ATOM   1327 C CA    . ILE    A  1  172 ? 27.764  12.288  -7.559  1.00 89.43 172 A  1 
ATOM   1328 C C     . ILE    A  1  172 ? 28.579  13.452  -8.116  1.00 88.82 172 A  1 
ATOM   1329 O O     . ILE    A  1  172 ? 28.518  14.571  -7.597  1.00 86.69 172 A  1 
ATOM   1330 C CB    . ILE    A  1  172 ? 28.657  11.352  -6.723  1.00 88.30 172 A  1 
ATOM   1331 C CG1   . ILE    A  1  172 ? 27.790  10.350  -5.957  1.00 81.93 172 A  1 
ATOM   1332 C CG2   . ILE    A  1  172 ? 29.525  12.155  -5.761  1.00 81.50 172 A  1 
ATOM   1333 C CD1   . ILE    A  1  172 ? 28.561  9.196   -5.349  1.00 77.88 172 A  1 
ATOM   1334 N N     . LYS    A  1  173 ? 29.322  13.197  -9.171  1.00 89.63 173 A  1 
ATOM   1335 C CA    . LYS    A  1  173 ? 30.146  14.247  -9.768  1.00 89.13 173 A  1 
ATOM   1336 C C     . LYS    A  1  173 ? 29.307  15.417  -10.268 1.00 88.86 173 A  1 
ATOM   1337 O O     . LYS    A  1  173 ? 29.711  16.572  -10.140 1.00 86.26 173 A  1 
ATOM   1338 C CB    . LYS    A  1  173 ? 30.979  13.683  -10.918 1.00 87.87 173 A  1 
ATOM   1339 C CG    . LYS    A  1  173 ? 32.085  12.743  -10.475 1.00 81.68 173 A  1 
ATOM   1340 C CD    . LYS    A  1  173 ? 32.867  12.213  -11.663 1.00 77.31 173 A  1 
ATOM   1341 C CE    . LYS    A  1  173 ? 33.946  11.239  -11.221 1.00 69.20 173 A  1 
ATOM   1342 N NZ    . LYS    A  1  173 ? 34.721  10.701  -12.373 1.00 61.85 173 A  1 
ATOM   1343 N N     . VAL    A  1  174 ? 28.165  15.109  -10.832 1.00 89.08 174 A  1 
ATOM   1344 C CA    . VAL    A  1  174 ? 27.280  16.163  -11.327 1.00 88.69 174 A  1 
ATOM   1345 C C     . VAL    A  1  174 ? 26.819  17.054  -10.174 1.00 88.24 174 A  1 
ATOM   1346 O O     . VAL    A  1  174 ? 26.742  18.277  -10.310 1.00 85.44 174 A  1 
ATOM   1347 C CB    . VAL    A  1  174 ? 26.069  15.568  -12.066 1.00 88.13 174 A  1 
ATOM   1348 C CG1   . VAL    A  1  174 ? 25.031  16.643  -12.368 1.00 79.72 174 A  1 
ATOM   1349 C CG2   . VAL    A  1  174 ? 26.517  14.905  -13.362 1.00 80.49 174 A  1 
ATOM   1350 N N     . VAL    A  1  175 ? 26.526  16.438  -9.053  1.00 88.75 175 A  1 
ATOM   1351 C CA    . VAL    A  1  175 ? 26.089  17.206  -7.888  1.00 87.74 175 A  1 
ATOM   1352 C C     . VAL    A  1  175 ? 27.237  18.032  -7.312  1.00 86.38 175 A  1 
ATOM   1353 O O     . VAL    A  1  175 ? 27.047  19.176  -6.892  1.00 82.79 175 A  1 
ATOM   1354 C CB    . VAL    A  1  175 ? 25.507  16.283  -6.805  1.00 87.00 175 A  1 
ATOM   1355 C CG1   . VAL    A  1  175 ? 25.182  17.075  -5.539  1.00 78.27 175 A  1 
ATOM   1356 C CG2   . VAL    A  1  175 ? 24.260  15.590  -7.321  1.00 79.77 175 A  1 
ATOM   1357 N N     . LEU    A  1  176 ? 28.419  17.452  -7.287  1.00 87.28 176 A  1 
ATOM   1358 C CA    . LEU    A  1  176 ? 29.581  18.155  -6.745  1.00 85.30 176 A  1 
ATOM   1359 C C     . LEU    A  1  176 ? 30.023  19.318  -7.629  1.00 82.65 176 A  1 
ATOM   1360 O O     . LEU    A  1  176 ? 30.742  20.206  -7.170  1.00 76.36 176 A  1 
ATOM   1361 C CB    . LEU    A  1  176 ? 30.743  17.184  -6.549  1.00 83.49 176 A  1 
ATOM   1362 C CG    . LEU    A  1  176 ? 30.535  16.091  -5.497  1.00 80.33 176 A  1 
ATOM   1363 C CD1   . LEU    A  1  176 ? 31.717  15.139  -5.479  1.00 74.26 176 A  1 
ATOM   1364 C CD2   . LEU    A  1  176 ? 30.324  16.703  -4.118  1.00 74.39 176 A  1 
ATOM   1365 N N     . GLN    A  1  177 ? 29.589  19.308  -8.865  1.00 83.81 177 A  1 
ATOM   1366 C CA    . GLN    A  1  177 ? 29.908  20.383  -9.800  1.00 80.64 177 A  1 
ATOM   1367 C C     . GLN    A  1  177 ? 28.617  20.983  -10.343 1.00 78.20 177 A  1 
ATOM   1368 O O     . GLN    A  1  177 ? 28.297  20.840  -11.525 1.00 69.49 177 A  1 
ATOM   1369 C CB    . GLN    A  1  177 ? 30.773  19.853  -10.942 1.00 76.46 177 A  1 
ATOM   1370 C CG    . GLN    A  1  177 ? 32.120  19.324  -10.491 1.00 67.32 177 A  1 
ATOM   1371 C CD    . GLN    A  1  177 ? 32.917  18.708  -11.624 1.00 62.24 177 A  1 
ATOM   1372 O OE1   . GLN    A  1  177 ? 32.364  18.300  -12.641 1.00 55.28 177 A  1 
ATOM   1373 N NE2   . GLN    A  1  177 ? 34.229  18.630  -11.451 1.00 53.03 177 A  1 
ATOM   1374 N N     . PRO    A  1  178 ? 27.876  21.646  -9.484  1.00 73.62 178 A  1 
ATOM   1375 C CA    . PRO    A  1  178 ? 26.571  22.173  -9.885  1.00 69.38 178 A  1 
ATOM   1376 C C     . PRO    A  1  178 ? 26.670  23.305  -10.907 1.00 67.60 178 A  1 
ATOM   1377 O O     . PRO    A  1  178 ? 27.670  24.025  -10.957 1.00 60.87 178 A  1 
ATOM   1378 C CB    . PRO    A  1  178 ? 25.987  22.677  -8.566  1.00 63.97 178 A  1 
ATOM   1379 C CG    . PRO    A  1  178 ? 27.174  23.057  -7.765  1.00 60.05 178 A  1 
ATOM   1380 C CD    . PRO    A  1  178 ? 28.214  22.024  -8.106  1.00 62.89 178 A  1 
ATOM   1381 N N     . PRO    A  1  179 ? 25.638  23.461  -11.713 1.00 65.55 179 A  1 
ATOM   1382 C CA    . PRO    A  1  179 ? 25.622  24.549  -12.693 1.00 62.78 179 A  1 
ATOM   1383 C C     . PRO    A  1  179 ? 25.490  25.903  -12.001 1.00 62.20 179 A  1 
ATOM   1384 O O     . PRO    A  1  179 ? 25.004  25.989  -10.874 1.00 56.66 179 A  1 
ATOM   1385 C CB    . PRO    A  1  179 ? 24.390  24.233  -13.537 1.00 57.10 179 A  1 
ATOM   1386 C CG    . PRO    A  1  179 ? 23.499  23.472  -12.618 1.00 53.53 179 A  1 
ATOM   1387 C CD    . PRO    A  1  179 ? 24.423  22.651  -11.765 1.00 55.27 179 A  1 
ATOM   1388 N N     . ARG    A  1  180 ? 25.914  26.939  -12.681 1.00 56.00 180 A  1 
ATOM   1389 C CA    . ARG    A  1  180 ? 25.843  28.288  -12.121 1.00 55.67 180 A  1 
ATOM   1390 C C     . ARG    A  1  180 ? 24.427  28.664  -11.711 1.00 54.91 180 A  1 
ATOM   1391 O O     . ARG    A  1  180 ? 24.230  29.371  -10.728 1.00 51.27 180 A  1 
ATOM   1392 C CB    . ARG    A  1  180 ? 26.371  29.309  -13.124 1.00 51.20 180 A  1 
ATOM   1393 C CG    . ARG    A  1  180 ? 27.869  29.237  -13.344 1.00 47.00 180 A  1 
ATOM   1394 C CD    . ARG    A  1  180 ? 28.339  30.402  -14.191 1.00 44.09 180 A  1 
ATOM   1395 N NE    . ARG    A  1  180 ? 28.116  31.675  -13.520 1.00 39.75 180 A  1 
ATOM   1396 C CZ    . ARG    A  1  180 ? 28.346  32.867  -14.069 1.00 35.34 180 A  1 
ATOM   1397 N NH1   . ARG    A  1  180 ? 28.801  32.957  -15.308 1.00 33.57 180 A  1 
ATOM   1398 N NH2   . ARG    A  1  180 ? 28.114  33.969  -13.381 1.00 31.18 180 A  1 
ATOM   1399 N N     . ARG    A  1  181 ? 23.477  28.191  -12.467 1.00 55.00 181 A  1 
ATOM   1400 C CA    . ARG    A  1  181 ? 22.077  28.470  -12.172 1.00 54.82 181 A  1 
ATOM   1401 C C     . ARG    A  1  181 ? 21.703  28.068  -10.750 1.00 54.53 181 A  1 
ATOM   1402 O O     . ARG    A  1  181 ? 20.912  28.743  -10.090 1.00 51.46 181 A  1 
ATOM   1403 C CB    . ARG    A  1  181 ? 21.177  27.737  -13.164 1.00 50.78 181 A  1 
ATOM   1404 C CG    . ARG    A  1  181 ? 19.699  27.981  -12.937 1.00 46.71 181 A  1 
ATOM   1405 C CD    . ARG    A  1  181 ? 18.864  27.240  -13.954 1.00 44.39 181 A  1 
ATOM   1406 N NE    . ARG    A  1  181 ? 17.443  27.435  -13.717 1.00 40.19 181 A  1 
ATOM   1407 C CZ    . ARG    A  1  181 ? 16.473  26.914  -14.456 1.00 36.40 181 A  1 
ATOM   1408 N NH1   . ARG    A  1  181 ? 16.765  26.153  -15.496 1.00 35.13 181 A  1 
ATOM   1409 N NH2   . ARG    A  1  181 ? 15.217  27.150  -14.158 1.00 32.67 181 A  1 
ATOM   1410 N N     . LYS    A  1  182 ? 22.271  26.987  -10.308 1.00 50.19 182 A  1 
ATOM   1411 C CA    . LYS    A  1  182 ? 21.996  26.497  -8.964  1.00 51.14 182 A  1 
ATOM   1412 C C     . LYS    A  1  182 ? 22.777  27.283  -7.910  1.00 50.63 182 A  1 
ATOM   1413 O O     . LYS    A  1  182 ? 22.403  27.302  -6.737  1.00 48.09 182 A  1 
ATOM   1414 C CB    . LYS    A  1  182 ? 22.332  25.011  -8.882  1.00 48.48 182 A  1 
ATOM   1415 C CG    . LYS    A  1  182 ? 21.938  24.349  -7.578  1.00 45.19 182 A  1 
ATOM   1416 C CD    . LYS    A  1  182 ? 22.226  22.863  -7.607  1.00 42.46 182 A  1 
ATOM   1417 C CE    . LYS    A  1  182 ? 21.848  22.199  -6.293  1.00 38.39 182 A  1 
ATOM   1418 N NZ    . LYS    A  1  182 ? 22.113  20.739  -6.303  1.00 35.56 182 A  1 
ATOM   1419 N N     . GLU    A  1  183 ? 23.843  27.895  -8.318  1.00 48.76 183 A  1 
ATOM   1420 C CA    . GLU    A  1  183 ? 24.696  28.643  -7.401  1.00 49.26 183 A  1 
ATOM   1421 C C     . GLU    A  1  183 ? 24.266  30.098  -7.227  1.00 48.12 183 A  1 
ATOM   1422 O O     . GLU    A  1  183 ? 24.533  30.705  -6.192  1.00 46.00 183 A  1 
ATOM   1423 C CB    . GLU    A  1  183 ? 26.140  28.597  -7.890  1.00 46.53 183 A  1 
ATOM   1424 C CG    . GLU    A  1  183 ? 26.742  27.203  -7.918  1.00 42.98 183 A  1 
ATOM   1425 C CD    . GLU    A  1  183 ? 28.111  27.159  -8.567  1.00 40.65 183 A  1 
ATOM   1426 O OE1   . GLU    A  1  183 ? 28.493  28.160  -9.199  1.00 37.49 183 A  1 
ATOM   1427 O OE2   . GLU    A  1  183 ? 28.787  26.124  -8.449  1.00 38.28 183 A  1 
ATOM   1428 N N     . VAL    A  1  184 ? 23.631  30.631  -8.237  1.00 49.87 184 A  1 
ATOM   1429 C CA    . VAL    A  1  184 ? 23.223  32.037  -8.211  1.00 51.45 184 A  1 
ATOM   1430 C C     . VAL    A  1  184 ? 22.217  32.394  -7.113  1.00 50.96 184 A  1 
ATOM   1431 O O     . VAL    A  1  184 ? 22.431  33.361  -6.378  1.00 47.88 184 A  1 
ATOM   1432 C CB    . VAL    A  1  184 ? 22.680  32.471  -9.583  1.00 47.99 184 A  1 
ATOM   1433 C CG1   . VAL    A  1  184 ? 22.033  33.849  -9.493  1.00 42.97 184 A  1 
ATOM   1434 C CG2   . VAL    A  1  184 ? 23.800  32.485  -10.605 1.00 43.82 184 A  1 
ATOM   1435 N N     . PRO    A  1  185 ? 21.127  31.655  -6.989  1.00 50.38 185 A  1 
ATOM   1436 C CA    . PRO    A  1  185 ? 20.116  32.063  -6.005  1.00 51.41 185 A  1 
ATOM   1437 C C     . PRO    A  1  185 ? 20.606  31.985  -4.564  1.00 51.27 185 A  1 
ATOM   1438 O O     . PRO    A  1  185 ? 21.478  31.183  -4.229  1.00 48.77 185 A  1 
ATOM   1439 C CB    . PRO    A  1  185 ? 18.965  31.086  -6.247  1.00 48.74 185 A  1 
ATOM   1440 C CG    . PRO    A  1  185 ? 19.616  29.904  -6.844  1.00 47.55 185 A  1 
ATOM   1441 C CD    . PRO    A  1  185 ? 20.724  30.457  -7.691  1.00 50.24 185 A  1 
ATOM   1442 N N     . ARG    A  1  186 ? 20.034  32.808  -3.742  1.00 53.17 186 A  1 
ATOM   1443 C CA    . ARG    A  1  186 ? 20.384  32.848  -2.331  1.00 55.48 186 A  1 
ATOM   1444 C C     . ARG    A  1  186 ? 19.966  31.552  -1.654  1.00 53.84 186 A  1 
ATOM   1445 O O     . ARG    A  1  186 ? 18.892  31.020  -1.932  1.00 50.75 186 A  1 
ATOM   1446 C CB    . ARG    A  1  186 ? 19.695  34.026  -1.649  1.00 52.30 186 A  1 
ATOM   1447 C CG    . ARG    A  1  186 ? 20.116  35.376  -2.194  1.00 48.64 186 A  1 
ATOM   1448 C CD    . ARG    A  1  186 ? 19.338  36.490  -1.530  1.00 46.42 186 A  1 
ATOM   1449 N NE    . ARG    A  1  186 ? 19.680  37.789  -2.088  1.00 41.44 186 A  1 
ATOM   1450 C CZ    . ARG    A  1  186 ? 19.069  38.930  -1.785  1.00 38.66 186 A  1 
ATOM   1451 N NH1   . ARG    A  1  186 ? 18.076  38.940  -0.916  1.00 36.74 186 A  1 
ATOM   1452 N NH2   . ARG    A  1  186 ? 19.453  40.051  -2.345  1.00 34.67 186 A  1 
ATOM   1453 N N     . ARG    A  1  187 ? 20.809  31.072  -0.774  1.00 50.42 187 A  1 
ATOM   1454 C CA    . ARG    A  1  187 ? 20.503  29.849  -0.054  1.00 53.64 187 A  1 
ATOM   1455 C C     . ARG    A  1  187 ? 19.424  30.098  0.993   1.00 51.70 187 A  1 
ATOM   1456 O O     . ARG    A  1  187 ? 19.385  31.154  1.615   1.00 49.38 187 A  1 
ATOM   1457 C CB    . ARG    A  1  187 ? 21.749  29.299  0.630   1.00 50.75 187 A  1 
ATOM   1458 C CG    . ARG    A  1  187 ? 22.805  28.801  -0.336  1.00 47.17 187 A  1 
ATOM   1459 C CD    . ARG    A  1  187 ? 23.959  28.188  0.419   1.00 45.31 187 A  1 
ATOM   1460 N NE    . ARG    A  1  187 ? 24.996  27.692  -0.474  1.00 41.12 187 A  1 
ATOM   1461 C CZ    . ARG    A  1  187 ? 26.126  27.121  -0.081  1.00 38.50 187 A  1 
ATOM   1462 N NH1   . ARG    A  1  187 ? 26.373  26.963  1.209   1.00 36.68 187 A  1 
ATOM   1463 N NH2   . ARG    A  1  187 ? 27.002  26.707  -0.968  1.00 35.05 187 A  1 
ATOM   1464 N N     . ARG    A  1  188 ? 18.602  29.098  1.165   1.00 50.53 188 A  1 
ATOM   1465 C CA    . ARG    A  1  188 ? 17.565  29.164  2.180   1.00 53.31 188 A  1 
ATOM   1466 C C     . ARG    A  1  188 ? 18.052  28.423  3.420   1.00 51.35 188 A  1 
ATOM   1467 O O     . ARG    A  1  188 ? 18.683  27.377  3.311   1.00 48.39 188 A  1 
ATOM   1468 C CB    . ARG    A  1  188 ? 16.272  28.554  1.646   1.00 50.84 188 A  1 
ATOM   1469 C CG    . ARG    A  1  188 ? 15.725  29.320  0.452   1.00 47.38 188 A  1 
ATOM   1470 C CD    . ARG    A  1  188 ? 14.469  28.688  -0.101  1.00 44.63 188 A  1 
ATOM   1471 N NE    . ARG    A  1  188 ? 13.985  29.409  -1.271  1.00 40.88 188 A  1 
ATOM   1472 C CZ    . ARG    A  1  188 ? 12.935  29.045  -2.010  1.00 38.05 188 A  1 
ATOM   1473 N NH1   . ARG    A  1  188 ? 12.250  27.964  -1.700  1.00 36.20 188 A  1 
ATOM   1474 N NH2   . ARG    A  1  188 ? 12.584  29.765  -3.052  1.00 34.67 188 A  1 
ATOM   1475 N N     . LYS    A  1  189 ? 17.758  28.985  4.564   1.00 46.77 189 A  1 
ATOM   1476 C CA    . LYS    A  1  189 ? 18.319  28.477  5.812   1.00 48.44 189 A  1 
ATOM   1477 C C     . LYS    A  1  189 ? 17.443  27.484  6.570   1.00 46.47 189 A  1 
ATOM   1478 O O     . LYS    A  1  189 ? 17.661  27.262  7.760   1.00 43.40 189 A  1 
ATOM   1479 C CB    . LYS    A  1  189 ? 18.652  29.652  6.724   1.00 46.24 189 A  1 
ATOM   1480 C CG    . LYS    A  1  189 ? 19.603  30.660  6.107   1.00 43.53 189 A  1 
ATOM   1481 C CD    . LYS    A  1  189 ? 19.814  31.839  7.023   1.00 41.06 189 A  1 
ATOM   1482 C CE    . LYS    A  1  189 ? 20.734  32.869  6.394   1.00 36.74 189 A  1 
ATOM   1483 N NZ    . LYS    A  1  189 ? 20.928  34.056  7.263   1.00 35.77 189 A  1 
ATOM   1484 N N     . ASN    A  1  190 ? 16.473  26.893  5.898   1.00 55.59 190 A  1 
ATOM   1485 C CA    . ASN    A  1  190 ? 15.571  25.970  6.583   1.00 58.42 190 A  1 
ATOM   1486 C C     . ASN    A  1  190 ? 16.026  24.518  6.488   1.00 58.32 190 A  1 
ATOM   1487 O O     . ASN    A  1  190 ? 16.236  24.006  5.392   1.00 53.43 190 A  1 
ATOM   1488 C CB    . ASN    A  1  190 ? 14.162  26.102  6.025   1.00 54.28 190 A  1 
ATOM   1489 C CG    . ASN    A  1  190 ? 13.592  27.483  6.244   1.00 49.46 190 A  1 
ATOM   1490 O OD1   . ASN    A  1  190 ? 13.990  28.188  7.167   1.00 45.98 190 A  1 
ATOM   1491 N ND2   . ASN    A  1  190 ? 12.657  27.874  5.394   1.00 46.46 190 A  1 
ATOM   1492 N N     . HIS    A  1  191 ? 16.162  23.886  7.640   1.00 56.13 191 A  1 
ATOM   1493 C CA    . HIS    A  1  191 ? 16.592  22.491  7.684   1.00 56.68 191 A  1 
ATOM   1494 C C     . HIS    A  1  191 ? 15.843  21.650  8.712   1.00 53.83 191 A  1 
ATOM   1495 O O     . HIS    A  1  191 ? 16.242  20.526  8.988   1.00 51.32 191 A  1 
ATOM   1496 C CB    . HIS    A  1  191 ? 18.085  22.422  7.981   1.00 54.81 191 A  1 
ATOM   1497 C CG    . HIS    A  1  191 ? 18.936  23.035  6.913   1.00 51.90 191 A  1 
ATOM   1498 N ND1   . HIS    A  1  191 ? 19.112  22.466  5.684   1.00 47.43 191 A  1 
ATOM   1499 C CD2   . HIS    A  1  191 ? 19.649  24.177  6.915   1.00 47.12 191 A  1 
ATOM   1500 C CE1   . HIS    A  1  191 ? 19.904  23.251  4.953   1.00 46.19 191 A  1 
ATOM   1501 N NE2   . HIS    A  1  191 ? 20.249  24.289  5.678   1.00 45.40 191 A  1 
ATOM   1502 N N     . ARG    A  1  192 ? 14.797  22.193  9.259   1.00 50.19 192 A  1 
ATOM   1503 C CA    . ARG    A  1  192 ? 14.036  21.466  10.277  1.00 53.67 192 A  1 
ATOM   1504 C C     . ARG    A  1  192 ? 13.339  20.221  9.755   1.00 51.75 192 A  1 
ATOM   1505 O O     . ARG    A  1  192 ? 13.003  19.331  10.533  1.00 48.29 192 A  1 
ATOM   1506 C CB    . ARG    A  1  192 ? 12.958  22.360  10.866  1.00 51.36 192 A  1 
ATOM   1507 C CG    . ARG    A  1  192 ? 13.458  23.512  11.693  1.00 47.83 192 A  1 
ATOM   1508 C CD    . ARG    A  1  192 ? 12.269  24.219  12.293  1.00 45.26 192 A  1 
ATOM   1509 N NE    . ARG    A  1  192 ? 12.650  25.306  13.177  1.00 41.05 192 A  1 
ATOM   1510 C CZ    . ARG    A  1  192 ? 11.791  26.069  13.842  1.00 38.72 192 A  1 
ATOM   1511 N NH1   . ARG    A  1  192 ? 10.492  25.862  13.721  1.00 36.83 192 A  1 
ATOM   1512 N NH2   . ARG    A  1  192 ? 12.233  27.031  14.623  1.00 35.42 192 A  1 
ATOM   1513 N N     . ARG    A  1  193 ? 13.099  20.201  8.471   1.00 51.04 193 A  1 
ATOM   1514 C CA    . ARG    A  1  193 ? 12.209  19.191  7.911   1.00 54.55 193 A  1 
ATOM   1515 C C     . ARG    A  1  193 ? 12.896  18.114  7.089   1.00 54.24 193 A  1 
ATOM   1516 O O     . ARG    A  1  193 ? 12.870  18.149  5.862   1.00 50.59 193 A  1 
ATOM   1517 C CB    . ARG    A  1  193 ? 11.175  19.911  7.076   1.00 51.98 193 A  1 
ATOM   1518 C CG    . ARG    A  1  193 ? 10.445  20.959  7.889   1.00 48.31 193 A  1 
ATOM   1519 C CD    . ARG    A  1  193 ? 10.075  22.172  7.079   1.00 45.98 193 A  1 
ATOM   1520 N NE    . ARG    A  1  193 ? 9.603   23.242  7.938   1.00 41.64 193 A  1 
ATOM   1521 C CZ    . ARG    A  1  193 ? 9.311   24.476  7.530   1.00 38.42 193 A  1 
ATOM   1522 N NH1   . ARG    A  1  193 ? 9.435   24.787  6.251   1.00 35.64 193 A  1 
ATOM   1523 N NH2   . ARG    A  1  193 ? 8.905   25.378  8.392   1.00 34.14 193 A  1 
ATOM   1524 N N     . SER    A  1  194 ? 13.475  17.152  7.784   1.00 56.47 194 A  1 
ATOM   1525 C CA    . SER    A  1  194 ? 14.112  16.027  7.114   1.00 59.95 194 A  1 
ATOM   1526 C C     . SER    A  1  194 ? 13.553  14.722  7.644   1.00 60.72 194 A  1 
ATOM   1527 O O     . SER    A  1  194 ? 13.977  14.237  8.684   1.00 55.14 194 A  1 
ATOM   1528 C CB    . SER    A  1  194 ? 15.619  16.071  7.325   1.00 56.21 194 A  1 
ATOM   1529 O OG    . SER    A  1  194 ? 15.931  15.986  8.695   1.00 50.20 194 A  1 
ATOM   1530 N N     . GLY    A  1  195 ? 12.599  14.190  6.941   1.00 60.81 195 A  1 
ATOM   1531 C CA    . GLY    A  1  195 ? 12.027  12.918  7.301   1.00 64.13 195 A  1 
ATOM   1532 C C     . GLY    A  1  195 ? 10.836  13.043  8.203   1.00 65.05 195 A  1 
ATOM   1533 O O     . GLY    A  1  195 ? 10.620  14.058  8.833   1.00 59.43 195 A  1 
ATOM   1534 N N     . CYS    A  1  196 ? 10.003  12.034  8.259   1.00 65.26 196 A  1 
ATOM   1535 C CA    . CYS    A  1  196 ? 8.935   11.943  8.933   1.00 69.59 196 A  1 
ATOM   1536 C C     . CYS    A  1  196 ? 8.427   11.367  9.478   1.00 66.67 196 A  1 
ATOM   1537 O O     . CYS    A  1  196 ? 8.604   11.276  9.069   1.00 61.37 196 A  1 
ATOM   1538 C CB    . CYS    A  1  196 ? 7.901   11.727  8.905   1.00 65.48 196 A  1 
ATOM   1539 S SG    . CYS    A  1  196 ? 7.194   11.236  9.508   1.00 63.46 196 A  1 
ATOM   1540 O OXT   . CYS    A  1  196 ? 7.650   11.179  9.979   1.00 61.27 196 A  1 
HETATM 1541 P PB    . GDP    B  2  .   ? 12.032  -1.813  -12.144 1.00 75.15 1   B  1 
HETATM 1542 O O1B   . GDP    B  2  .   ? 12.340  -0.786  -13.081 1.00 66.34 1   B  1 
HETATM 1543 O O2B   . GDP    B  2  .   ? 12.627  -1.640  -10.842 1.00 66.68 1   B  1 
HETATM 1544 O O3B   . GDP    B  2  .   ? 10.626  -2.172  -12.106 1.00 69.11 1   B  1 
HETATM 1545 O O3A   . GDP    B  2  .   ? 12.717  -3.093  -12.740 1.00 73.91 1   B  1 
HETATM 1546 P PA    . GDP    B  2  .   ? 13.224  -4.371  -11.961 1.00 69.94 1   B  1 
HETATM 1547 O O1A   . GDP    B  2  .   ? 12.166  -4.912  -11.167 1.00 66.09 1   B  1 
HETATM 1548 O O2A   . GDP    B  2  .   ? 14.478  -4.069  -11.311 1.00 62.04 1   B  1 
HETATM 1549 O "O5'" . GDP    B  2  .   ? 13.527  -5.334  -13.139 1.00 71.85 1   B  1 
HETATM 1550 C "C5'" . GDP    B  2  .   ? 12.544  -5.773  -14.011 1.00 73.96 1   B  1 
HETATM 1551 C "C4'" . GDP    B  2  .   ? 12.972  -7.001  -14.721 1.00 72.13 1   B  1 
HETATM 1552 O "O4'" . GDP    B  2  .   ? 14.104  -6.702  -15.495 1.00 76.51 1   B  1 
HETATM 1553 C "C3'" . GDP    B  2  .   ? 13.360  -8.108  -13.790 1.00 75.55 1   B  1 
HETATM 1554 O "O3'" . GDP    B  2  .   ? 12.859  -9.291  -14.315 1.00 73.76 1   B  1 
HETATM 1555 C "C2'" . GDP    B  2  .   ? 14.853  -8.127  -13.827 1.00 74.67 1   B  1 
HETATM 1556 O "O2'" . GDP    B  2  .   ? 15.387  -9.375  -13.623 1.00 74.73 1   B  1 
HETATM 1557 C "C1'" . GDP    B  2  .   ? 15.144  -7.618  -15.201 1.00 72.99 1   B  1 
HETATM 1558 N N9    . GDP    B  2  .   ? 16.379  -6.888  -15.234 1.00 78.89 1   B  1 
HETATM 1559 C C8    . GDP    B  2  .   ? 16.722  -5.817  -14.487 1.00 76.15 1   B  1 
HETATM 1560 N N7    . GDP    B  2  .   ? 17.916  -5.368  -14.782 1.00 79.48 1   B  1 
HETATM 1561 C C5    . GDP    B  2  .   ? 18.359  -6.197  -15.750 1.00 80.82 1   B  1 
HETATM 1562 C C6    . GDP    B  2  .   ? 19.571  -6.257  -16.495 1.00 81.92 1   B  1 
HETATM 1563 O O6    . GDP    B  2  .   ? 20.478  -5.486  -16.358 1.00 80.22 1   B  1 
HETATM 1564 N N1    . GDP    B  2  .   ? 19.672  -7.240  -17.420 1.00 80.28 1   B  1 
HETATM 1565 C C2    . GDP    B  2  .   ? 18.674  -8.132  -17.613 1.00 80.19 1   B  1 
HETATM 1566 N N2    . GDP    B  2  .   ? 18.879  -9.037  -18.523 1.00 77.61 1   B  1 
HETATM 1567 N N3    . GDP    B  2  .   ? 17.533  -8.115  -16.959 1.00 77.79 1   B  1 
HETATM 1568 C C4    . GDP    B  2  .   ? 17.381  -7.148  -16.030 1.00 79.55 1   B  1 
HETATM 1569 C C1    . GER    C  3  .   ? 5.650   10.829  10.299  1.00 30.12 1   C  1 
HETATM 1570 C C2    . GER    C  3  .   ? 4.767   10.693  11.118  1.00 25.05 1   C  1 
HETATM 1571 C C3    . GER    C  3  .   ? 4.062   10.049  11.812  1.00 16.94 1   C  1 
HETATM 1572 C C4    . GER    C  3  .   ? 4.025   8.649   11.550  1.00 12.09 1   C  1 
HETATM 1573 C C5    . GER    C  3  .   ? 3.269   10.491  12.756  1.00 12.36 1   C  1 
HETATM 1574 C C6    . GER    C  3  .   ? 2.181   10.510  12.849  1.00 9.52  1   C  1 
HETATM 1575 C C7    . GER    C  3  .   ? 1.304   10.813  13.618  1.00 6.65  1   C  1 
HETATM 1576 C C8    . GER    C  3  .   ? 0.189   11.068  13.610  1.00 6.70  1   C  1 
HETATM 1577 C C9    . GER    C  3  .   ? -0.413  11.160  12.327  1.00 7.41  1   C  1 
HETATM 1578 C C10   . GER    C  3  .   ? -0.574  11.311  14.577  1.00 5.72  1   C  1 
HETATM 1579 C C11   . GER    C  3  .   ? -1.664  11.217  14.883  1.00 4.75  1   C  1 
HETATM 1580 C C12   . GER    C  3  .   ? -2.506  11.655  15.583  1.00 3.96  1   C  1 
HETATM 1581 C C13   . GER    C  3  .   ? -3.324  11.330  16.307  1.00 2.78  1   C  1 
HETATM 1582 C C14   . GER    C  3  .   ? -3.419  9.966   16.652  1.00 2.85  1   C  1 
HETATM 1583 C C15   . GER    C  3  .   ? -4.198  12.063  16.890  1.00 2.46  1   C  1 
HETATM 1584 C C16   . GER    C  3  .   ? -5.320  11.915  17.267  1.00 2.42  1   C  1 
HETATM 1585 C C17   . GER    C  3  .   ? -6.117  12.493  17.979  1.00 1.91  1   C  1 
HETATM 1586 C C18   . GER    C  3  .   ? -7.224  12.571  18.308  1.00 1.60  1   C  1 
HETATM 1587 C C19   . GER    C  3  .   ? -8.232  11.822  17.699  1.00 2.24  1   C  1 
HETATM 1588 C C20   . GER    C  3  .   ? -7.748  13.388  19.295  1.00 2.62  1   C  1 
HETATM 1589 C C1    . LIG_D  D  4  .   ? -4.624  8.736   20.469  1.00 1.79  1   D  1 
HETATM 1590 C C2    . LIG_D  D  4  .   ? -5.457  8.923   19.939  1.00 1.76  1   D  1 
HETATM 1591 C C3    . LIG_D  D  4  .   ? -6.537  9.055   20.063  1.00 1.76  1   D  1 
HETATM 1592 C C4    . LIG_D  D  4  .   ? -7.408  9.277   20.593  1.00 1.91  1   D  1 
HETATM 1593 C C5    . LIG_D  D  4  .   ? -8.235  9.548   21.219  1.00 1.74  1   D  1 
HETATM 1594 C C6    . LIG_D  D  4  .   ? -8.965  9.839   21.936  1.00 1.63  1   D  1 
HETATM 1595 C C7    . LIG_D  D  4  .   ? -9.685  10.106  22.654  1.00 1.61  1   D  1 
HETATM 1596 C C8    . LIG_D  D  4  .   ? -10.404 10.367  23.379  1.00 1.54  1   D  1 
HETATM 1597 C C9    . LIG_D  D  4  .   ? -11.113 10.602  24.097  1.00 1.62  1   D  1 
HETATM 1598 C C10   . LIG_D  D  4  .   ? -11.869 10.868  24.830  1.00 1.73  1   D  1 
HETATM 1599 C C11   . LIG_D  D  4  .   ? -12.636 11.146  25.526  1.00 1.55  1   D  1 
HETATM 1600 C C12   . LIG_D  D  4  .   ? -13.416 11.426  26.219  1.00 1.61  1   D  1 
HETATM 1601 C C13   . LIG_D  D  4  .   ? -14.194 11.745  26.878  1.00 1.33  1   D  1 
HETATM 1602 C C14   . LIG_D  D  4  .   ? -15.008 11.997  27.545  1.00 1.31  1   D  1 
HETATM 1603 C C15   . LIG_D  D  4  .   ? -15.818 12.285  28.205  1.00 1.31  1   D  1 
HETATM 1604 C C16   . LIG_D  D  4  .   ? -16.665 12.329  28.887  1.00 1.26  1   D  1 
HETATM 1605 C C17   . LIG_D  D  4  .   ? -17.468 12.356  29.615  1.00 1.19  1   D  1 
HETATM 1606 C C18   . LIG_D  D  4  .   ? -18.210 11.593  30.276  1.00 1.22  1   D  1 
HETATM 1607 O O1    . LIG_D  D  4  .   ? -18.794 11.973  31.218  1.00 1.60  1   D  1 
HETATM 1608 O O2    . LIG_D  D  4  .   ? -18.229 10.451  29.822  1.00 1.47  1   D  1 
HETATM 1609 C C19   . LIG_D  D  4  .   ? -18.930 9.577   30.477  1.00 1.18  1   D  1 
HETATM 1610 C C20   . LIG_D  D  4  .   ? -18.586 8.196   30.166  1.00 1.23  1   D  1 
HETATM 1611 C C21   . LIG_D  D  4  .   ? -19.286 7.297   31.115  1.00 1.24  1   D  1 
HETATM 1612 O O3    . LIG_D  D  4  .   ? -19.087 7.790   32.336  1.00 1.30  1   D  1 
HETATM 1613 P P1    . LIG_D  D  4  .   ? -19.557 7.080   33.649  1.00 1.27  1   D  1 
HETATM 1614 O O4    . LIG_D  D  4  .   ? -20.759 7.701   34.074  1.00 1.22  1   D  1 
HETATM 1615 O O5    . LIG_D  D  4  .   ? -19.550 5.689   33.465  1.00 1.21  1   D  1 
HETATM 1616 O O6    . LIG_D  D  4  .   ? -18.363 7.459   34.514  1.00 1.26  1   D  1 
HETATM 1617 C C22   . LIG_D  D  4  .   ? -17.820 8.611   34.541  1.00 1.34  1   D  1 
HETATM 1618 C C23   . LIG_D  D  4  .   ? -16.418 8.544   34.657  1.00 1.32  1   D  1 
HETATM 1619 N N1    . LIG_D  D  4  .   ? -15.674 9.579   34.160  1.00 2.06  1   D  1 
HETATM 1620 C C24   . LIG_D  D  4  .   ? -16.128 10.807  34.664  1.00 1.47  1   D  1 
HETATM 1621 C C25   . LIG_D  D  4  .   ? -14.342 9.352   34.471  1.00 1.46  1   D  1 
HETATM 1622 C C26   . LIG_D  D  4  .   ? -15.752 9.643   32.754  1.00 1.48  1   D  1 
HETATM 1623 O O7    . LIG_D  D  4  .   ? -17.238 7.992   30.305  1.00 1.36  1   D  1 
HETATM 1624 C C27   . LIG_D  D  4  .   ? -16.632 7.781   29.247  1.00 1.42  1   D  1 
HETATM 1625 O O8    . LIG_D  D  4  .   ? -17.180 7.857   28.180  1.00 1.35  1   D  1 
HETATM 1626 C C28   . LIG_D  D  4  .   ? -15.390 7.498   29.346  1.00 1.27  1   D  1 
HETATM 1627 C C29   . LIG_D  D  4  .   ? -14.550 7.331   28.645  1.00 1.35  1   D  1 
HETATM 1628 C C30   . LIG_D  D  4  .   ? -13.581 7.106   28.224  1.00 1.35  1   D  1 
HETATM 1629 C C31   . LIG_D  D  4  .   ? -12.709 6.904   27.595  1.00 1.33  1   D  1 
HETATM 1630 C C32   . LIG_D  D  4  .   ? -11.836 6.719   26.998  1.00 1.48  1   D  1 
HETATM 1631 C C33   . LIG_D  D  4  .   ? -10.989 6.571   26.348  1.00 1.44  1   D  1 
HETATM 1632 C C34   . LIG_D  D  4  .   ? -10.117 6.470   25.720  1.00 1.49  1   D  1 
HETATM 1633 C C35   . LIG_D  D  4  .   ? -9.213  6.457   25.143  1.00 1.52  1   D  1 
HETATM 1634 C C36   . LIG_D  D  4  .   ? -8.269  6.577   24.636  1.00 1.61  1   D  1 
HETATM 1635 C C37   . LIG_D  D  4  .   ? -7.310  6.791   24.201  1.00 1.66  1   D  1 
HETATM 1636 C C38   . LIG_D  D  4  .   ? -6.359  7.029   23.776  1.00 1.54  1   D  1 
HETATM 1637 C C39   . LIG_D  D  4  .   ? -5.427  7.265   23.287  1.00 1.56  1   D  1 
HETATM 1638 C C40   . LIG_D  D  4  .   ? -4.553  7.496   22.729  1.00 1.72  1   D  1 
HETATM 1639 C C41   . LIG_D  D  4  .   ? -3.727  7.704   22.096  1.00 1.47  1   D  1 
HETATM 1640 C C42   . LIG_D  D  4  .   ? -2.976  7.864   21.443  1.00 1.43  1   D  1 
HETATM 1641 C C43   . LIG_D  D  4  .   ? -2.171  7.991   20.789  1.00 1.35  1   D  1 
HETATM 1642 C C44   . LIG_D  D  4  .   ? -1.294  8.090   20.113  1.00 1.37  1   D  1 
HETATM 1643 C C1    . LIG_E  E  5  .   ? -3.601  -4.516  23.429  1.00 1.78  1   E  1 
HETATM 1644 C C2    . LIG_E  E  5  .   ? -3.230  -3.928  24.136  1.00 1.81  1   E  1 
HETATM 1645 C C3    . LIG_E  E  5  .   ? -2.263  -3.372  24.195  1.00 1.86  1   E  1 
HETATM 1646 C C4    . LIG_E  E  5  .   ? -1.287  -3.150  23.767  1.00 1.93  1   E  1 
HETATM 1647 C C5    . LIG_E  E  5  .   ? -0.343  -2.948  23.229  1.00 1.79  1   E  1 
HETATM 1648 C C6    . LIG_E  E  5  .   ? 0.486   -2.867  22.489  1.00 1.67  1   E  1 
HETATM 1649 C C7    . LIG_E  E  5  .   ? 1.236   -2.794  21.684  1.00 1.57  1   E  1 
HETATM 1650 C C8    . LIG_E  E  5  .   ? 1.934   -2.747  20.798  1.00 1.59  1   E  1 
HETATM 1651 C C9    . LIG_E  E  5  .   ? 2.595   -2.709  19.914  1.00 1.72  1   E  1 
HETATM 1652 C C10   . LIG_E  E  5  .   ? 3.270   -2.695  18.981  1.00 1.80  1   E  1 
HETATM 1653 C C11   . LIG_E  E  5  .   ? 3.905   -2.698  18.062  1.00 1.69  1   E  1 
HETATM 1654 C C12   . LIG_E  E  5  .   ? 4.589   -2.702  17.136  1.00 1.83  1   E  1 
HETATM 1655 C C13   . LIG_E  E  5  .   ? 5.243   -2.760  16.213  1.00 1.49  1   E  1 
HETATM 1656 C C14   . LIG_E  E  5  .   ? 5.944   -2.761  15.304  1.00 1.52  1   E  1 
HETATM 1657 C C15   . LIG_E  E  5  .   ? 6.569   -2.863  14.396  1.00 1.51  1   E  1 
HETATM 1658 C C16   . LIG_E  E  5  .   ? 7.329   -2.824  13.504  1.00 1.54  1   E  1 
HETATM 1659 C C17   . LIG_E  E  5  .   ? 7.902   -3.040  12.623  1.00 1.38  1   E  1 
HETATM 1660 C C18   . LIG_E  E  5  .   ? 8.860   -2.821  11.772  1.00 1.51  1   E  1 
HETATM 1661 O O1    . LIG_E  E  5  .   ? 9.951   -3.229  11.929  1.00 2.11  1   E  1 
HETATM 1662 O O2    . LIG_E  E  5  .   ? 8.499   -2.129  10.823  1.00 2.07  1   E  1 
HETATM 1663 C C19   . LIG_E  E  5  .   ? 9.452   -1.706  9.998   1.00 1.52  1   E  1 
HETATM 1664 C C20   . LIG_E  E  5  .   ? 8.974   -0.638  9.143   1.00 1.85  1   E  1 
HETATM 1665 C C21   . LIG_E  E  5  .   ? 10.082  -0.068  8.342   1.00 1.87  1   E  1 
HETATM 1666 O O3    . LIG_E  E  5  .   ? 10.511  -0.987  7.476   1.00 1.90  1   E  1 
HETATM 1667 P P1    . LIG_E  E  5  .   ? 11.523  -0.605  6.392   1.00 2.62  1   E  1 
HETATM 1668 O O4    . LIG_E  E  5  .   ? 11.581  -1.694  5.482   1.00 2.33  1   E  1 
HETATM 1669 O O5    . LIG_E  E  5  .   ? 11.294  0.678   5.903   1.00 2.84  1   E  1 
HETATM 1670 O O6    . LIG_E  E  5  .   ? 12.794  -0.553  7.241   1.00 2.28  1   E  1 
HETATM 1671 C C22   . LIG_E  E  5  .   ? 13.587  -1.527  7.408   1.00 2.67  1   E  1 
HETATM 1672 C C23   . LIG_E  E  5  .   ? 14.774  -1.089  7.989   1.00 2.66  1   E  1 
HETATM 1673 N N1    . LIG_E  E  5  .   ? 15.811  -0.788  7.135   1.00 4.22  1   E  1 
HETATM 1674 C C24   . LIG_E  E  5  .   ? 16.873  -0.283  7.882   1.00 3.69  1   E  1 
HETATM 1675 C C25   . LIG_E  E  5  .   ? 16.212  -1.971  6.477   1.00 3.63  1   E  1 
HETATM 1676 C C26   . LIG_E  E  5  .   ? 15.431  0.187   6.186   1.00 4.47  1   E  1 
HETATM 1677 O O7    . LIG_E  E  5  .   ? 8.466   0.374   9.925   1.00 1.89  1   E  1 
HETATM 1678 C C27   . LIG_E  E  5  .   ? 7.329   0.802   9.609   1.00 2.04  1   E  1 
HETATM 1679 O O8    . LIG_E  E  5  .   ? 6.931   0.752   8.489   1.00 1.73  1   E  1 
HETATM 1680 C C28   . LIG_E  E  5  .   ? 6.608   1.273   10.583  1.00 1.64  1   E  1 
HETATM 1681 C C29   . LIG_E  E  5  .   ? 5.758   0.912   11.278  1.00 1.75  1   E  1 
HETATM 1682 C C30   . LIG_E  E  5  .   ? 5.000   0.743   12.114  1.00 1.78  1   E  1 
HETATM 1683 C C31   . LIG_E  E  5  .   ? 4.246   0.370   12.878  1.00 1.60  1   E  1 
HETATM 1684 C C32   . LIG_E  E  5  .   ? 3.513   0.037   13.671  1.00 1.76  1   E  1 
HETATM 1685 C C33   . LIG_E  E  5  .   ? 2.779   -0.423  14.429  1.00 1.65  1   E  1 
HETATM 1686 C C34   . LIG_E  E  5  .   ? 2.058   -0.891  15.207  1.00 1.63  1   E  1 
HETATM 1687 C C35   . LIG_E  E  5  .   ? 1.358   -1.408  15.968  1.00 1.57  1   E  1 
HETATM 1688 C C36   . LIG_E  E  5  .   ? 0.670   -1.946  16.732  1.00 1.62  1   E  1 
HETATM 1689 C C37   . LIG_E  E  5  .   ? -0.004  -2.492  17.509  1.00 1.63  1   E  1 
HETATM 1690 C C38   . LIG_E  E  5  .   ? -0.699  -3.021  18.301  1.00 1.51  1   E  1 
HETATM 1691 C C39   . LIG_E  E  5  .   ? -1.421  -3.512  19.091  1.00 1.59  1   E  1 
HETATM 1692 C C40   . LIG_E  E  5  .   ? -2.143  -3.976  19.870  1.00 1.75  1   E  1 
HETATM 1693 C C41   . LIG_E  E  5  .   ? -2.866  -4.412  20.640  1.00 1.47  1   E  1 
HETATM 1694 C C42   . LIG_E  E  5  .   ? -3.586  -4.846  21.338  1.00 1.41  1   E  1 
HETATM 1695 C C43   . LIG_E  E  5  .   ? -4.349  -5.289  21.960  1.00 1.35  1   E  1 
HETATM 1696 C C44   . LIG_E  E  5  .   ? -5.250  -5.880  22.514  1.00 1.38  1   E  1 
HETATM 1697 C C1    . LIG_F  F  6  .   ? -21.740 -12.359 -10.013 1.00 2.11  1   F  1 
HETATM 1698 C C2    . LIG_F  F  6  .   ? -21.720 -12.884 -10.986 1.00 2.16  1   F  1 
HETATM 1699 C C3    . LIG_F  F  6  .   ? -22.165 -13.799 -11.515 1.00 2.08  1   F  1 
HETATM 1700 C C4    . LIG_F  F  6  .   ? -22.414 -14.872 -11.264 1.00 2.26  1   F  1 
HETATM 1701 C C5    . LIG_F  F  6  .   ? -22.365 -15.683 -10.526 1.00 2.08  1   F  1 
HETATM 1702 C C6    . LIG_F  F  6  .   ? -22.115 -16.167 -9.595  1.00 1.85  1   F  1 
HETATM 1703 C C7    . LIG_F  F  6  .   ? -21.680 -16.213 -8.596  1.00 1.65  1   F  1 
HETATM 1704 C C8    . LIG_F  F  6  .   ? -21.128 -15.815 -7.735  1.00 1.68  1   F  1 
HETATM 1705 C C9    . LIG_F  F  6  .   ? -20.582 -15.370 -6.886  1.00 1.72  1   F  1 
HETATM 1706 C C10   . LIG_F  F  6  .   ? -20.031 -14.862 -6.053  1.00 1.71  1   F  1 
HETATM 1707 C C11   . LIG_F  F  6  .   ? -19.494 -14.283 -5.293  1.00 1.60  1   F  1 
HETATM 1708 C C12   . LIG_F  F  6  .   ? -18.875 -13.620 -4.653  1.00 1.56  1   F  1 
HETATM 1709 C C13   . LIG_F  F  6  .   ? -18.208 -12.900 -4.166  1.00 1.32  1   F  1 
HETATM 1710 C C14   . LIG_F  F  6  .   ? -17.508 -12.113 -3.735  1.00 1.31  1   F  1 
HETATM 1711 C C15   . LIG_F  F  6  .   ? -16.783 -11.324 -3.500  1.00 1.30  1   F  1 
HETATM 1712 C C16   . LIG_F  F  6  .   ? -16.051 -10.478 -3.242  1.00 1.31  1   F  1 
HETATM 1713 C C17   . LIG_F  F  6  .   ? -15.339 -9.813  -3.716  1.00 1.22  1   F  1 
HETATM 1714 C C18   . LIG_F  F  6  .   ? -14.753 -9.763  -4.885  1.00 1.25  1   F  1 
HETATM 1715 O O1    . LIG_F  F  6  .   ? -14.162 -10.681 -5.312  1.00 1.59  1   F  1 
HETATM 1716 O O2    . LIG_F  F  6  .   ? -14.921 -8.700  -5.440  1.00 1.48  1   F  1 
HETATM 1717 C C19   . LIG_F  F  6  .   ? -14.413 -8.584  -6.647  1.00 1.19  1   F  1 
HETATM 1718 C C20   . LIG_F  F  6  .   ? -14.890 -7.387  -7.298  1.00 1.24  1   F  1 
HETATM 1719 C C21   . LIG_F  F  6  .   ? -14.182 -7.142  -8.564  1.00 1.23  1   F  1 
HETATM 1720 O O3    . LIG_F  F  6  .   ? -14.773 -7.889  -9.412  1.00 1.25  1   F  1 
HETATM 1721 P P1    . LIG_F  F  6  .   ? -14.656 -7.876  -10.917 1.00 1.23  1   F  1 
HETATM 1722 O O4    . LIG_F  F  6  .   ? -14.406 -9.222  -11.259 1.00 1.16  1   F  1 
HETATM 1723 O O5    . LIG_F  F  6  .   ? -13.812 -6.882  -11.405 1.00 1.18  1   F  1 
HETATM 1724 O O6    . LIG_F  F  6  .   ? -16.098 -7.446  -11.158 1.00 1.23  1   F  1 
HETATM 1725 C C22   . LIG_F  F  6  .   ? -17.078 -8.208  -11.142 1.00 1.29  1   F  1 
HETATM 1726 C C23   . LIG_F  F  6  .   ? -18.284 -7.573  -10.865 1.00 1.28  1   F  1 
HETATM 1727 N N1    . LIG_F  F  6  .   ? -19.227 -8.319  -10.182 1.00 1.83  1   F  1 
HETATM 1728 C C24   . LIG_F  F  6  .   ? -19.344 -9.577  -10.775 1.00 1.31  1   F  1 
HETATM 1729 C C25   . LIG_F  F  6  .   ? -20.432 -7.671  -10.253 1.00 1.34  1   F  1 
HETATM 1730 C C26   . LIG_F  F  6  .   ? -18.836 -8.487  -8.839  1.00 1.39  1   F  1 
HETATM 1731 O O7    . LIG_F  F  6  .   ? -14.634 -6.292  -6.505  1.00 1.34  1   F  1 
HETATM 1732 C C27   . LIG_F  F  6  .   ? -15.652 -5.638  -6.177  1.00 1.39  1   F  1 
HETATM 1733 O O8    . LIG_F  F  6  .   ? -16.726 -5.867  -6.656  1.00 1.34  1   F  1 
HETATM 1734 C C28   . LIG_F  F  6  .   ? -15.448 -4.733  -5.253  1.00 1.30  1   F  1 
HETATM 1735 C C29   . LIG_F  F  6  .   ? -16.116 -4.552  -4.295  1.00 1.38  1   F  1 
HETATM 1736 C C30   . LIG_F  F  6  .   ? -16.765 -4.960  -3.483  1.00 1.41  1   F  1 
HETATM 1737 C C31   . LIG_F  F  6  .   ? -17.366 -5.171  -2.565  1.00 1.35  1   F  1 
HETATM 1738 C C32   . LIG_F  F  6  .   ? -17.931 -5.677  -1.758  1.00 1.46  1   F  1 
HETATM 1739 C C33   . LIG_F  F  6  .   ? -18.539 -6.335  -1.139  1.00 1.46  1   F  1 
HETATM 1740 C C34   . LIG_F  F  6  .   ? -19.146 -7.068  -0.552  1.00 1.42  1   F  1 
HETATM 1741 C C35   . LIG_F  F  6  .   ? -19.872 -7.933  -0.568  1.00 1.45  1   F  1 
HETATM 1742 C C36   . LIG_F  F  6  .   ? -20.447 -8.584  -1.309  1.00 1.45  1   F  1 
HETATM 1743 C C37   . LIG_F  F  6  .   ? -21.008 -9.162  -2.150  1.00 1.53  1   F  1 
HETATM 1744 C C38   . LIG_F  F  6  .   ? -21.435 -9.543  -3.193  1.00 1.47  1   F  1 
HETATM 1745 C C39   . LIG_F  F  6  .   ? -21.861 -9.937  -4.230  1.00 1.58  1   F  1 
HETATM 1746 C C40   . LIG_F  F  6  .   ? -22.221 -10.305 -5.288  1.00 1.80  1   F  1 
HETATM 1747 C C41   . LIG_F  F  6  .   ? -22.580 -10.753 -6.314  1.00 1.61  1   F  1 
HETATM 1748 C C42   . LIG_F  F  6  .   ? -22.950 -11.241 -7.220  1.00 1.67  1   F  1 
HETATM 1749 C C43   . LIG_F  F  6  .   ? -23.488 -11.808 -7.944  1.00 1.48  1   F  1 
HETATM 1750 C C44   . LIG_F  F  6  .   ? -24.254 -12.489 -8.569  1.00 1.50  1   F  1 
HETATM 1751 C C1    . LIG_G  G  7  .   ? -0.375  -8.256  28.342  1.00 1.75  1   G  1 
HETATM 1752 C C2    . LIG_G  G  7  .   ? -0.614  -9.031  27.701  1.00 1.96  1   G  1 
HETATM 1753 C C3    . LIG_G  G  7  .   ? -0.326  -9.661  26.788  1.00 1.96  1   G  1 
HETATM 1754 C C4    . LIG_G  G  7  .   ? 0.167   -10.164 25.900  1.00 2.11  1   G  1 
HETATM 1755 C C5    . LIG_G  G  7  .   ? 0.747   -10.612 25.009  1.00 1.81  1   G  1 
HETATM 1756 C C6    . LIG_G  G  7  .   ? 1.401   -11.021 24.148  1.00 1.63  1   G  1 
HETATM 1757 C C7    . LIG_G  G  7  .   ? 2.077   -11.413 23.330  1.00 1.57  1   G  1 
HETATM 1758 C C8    . LIG_G  G  7  .   ? 2.786   -11.811 22.550  1.00 1.53  1   G  1 
HETATM 1759 C C9    . LIG_G  G  7  .   ? 3.509   -12.213 21.808  1.00 1.62  1   G  1 
HETATM 1760 C C10   . LIG_G  G  7  .   ? 4.269   -12.675 21.072  1.00 1.69  1   G  1 
HETATM 1761 C C11   . LIG_G  G  7  .   ? 4.986   -13.188 20.393  1.00 1.58  1   G  1 
HETATM 1762 C C12   . LIG_G  G  7  .   ? 5.720   -13.734 19.726  1.00 1.68  1   G  1 
HETATM 1763 C C13   . LIG_G  G  7  .   ? 6.427   -14.352 19.138  1.00 1.37  1   G  1 
HETATM 1764 C C14   . LIG_G  G  7  .   ? 7.150   -14.931 18.527  1.00 1.35  1   G  1 
HETATM 1765 C C15   . LIG_G  G  7  .   ? 7.853   -15.580 17.949  1.00 1.32  1   G  1 
HETATM 1766 C C16   . LIG_G  G  7  .   ? 8.634   -16.079 17.305  1.00 1.32  1   G  1 
HETATM 1767 C C17   . LIG_G  G  7  .   ? 9.432   -16.607 16.728  1.00 1.22  1   G  1 
HETATM 1768 C C18   . LIG_G  G  7  .   ? 10.370  -16.343 15.901  1.00 1.25  1   G  1 
HETATM 1769 O O1    . LIG_G  G  7  .   ? 11.196  -17.113 15.583  1.00 1.62  1   G  1 
HETATM 1770 O O2    . LIG_G  G  7  .   ? 10.278  -15.178 15.510  1.00 1.59  1   G  1 
HETATM 1771 C C19   . LIG_G  G  7  .   ? 11.236  -14.699 14.745  1.00 1.19  1   G  1 
HETATM 1772 C C20   . LIG_G  G  7  .   ? 11.010  -13.307 14.463  1.00 1.27  1   G  1 
HETATM 1773 C C21   . LIG_G  G  7  .   ? 12.178  -12.692 13.828  1.00 1.25  1   G  1 
HETATM 1774 O O3    . LIG_G  G  7  .   ? 12.777  -13.545 13.057  1.00 1.35  1   G  1 
HETATM 1775 P P1    . LIG_G  G  7  .   ? 14.026  -13.100 12.272  1.00 1.32  1   G  1 
HETATM 1776 O O4    . LIG_G  G  7  .   ? 15.148  -13.231 13.148  1.00 1.22  1   G  1 
HETATM 1777 O O5    . LIG_G  G  7  .   ? 13.804  -11.911 11.587  1.00 1.37  1   G  1 
HETATM 1778 O O6    . LIG_G  G  7  .   ? 13.928  -14.280 11.303  1.00 1.34  1   G  1 
HETATM 1779 C C22   . LIG_G  G  7  .   ? 14.634  -14.615 10.372  1.00 1.37  1   G  1 
HETATM 1780 C C23   . LIG_G  G  7  .   ? 14.880  -15.987 10.395  1.00 1.38  1   G  1 
HETATM 1781 N N1    . LIG_G  G  7  .   ? 16.113  -16.388 10.908  1.00 2.08  1   G  1 
HETATM 1782 C C24   . LIG_G  G  7  .   ? 16.375  -17.704 10.524  1.00 1.57  1   G  1 
HETATM 1783 C C25   . LIG_G  G  7  .   ? 17.119  -15.536 10.385  1.00 1.60  1   G  1 
HETATM 1784 C C26   . LIG_G  G  7  .   ? 16.087  -16.324 12.316  1.00 1.59  1   G  1 
HETATM 1785 O O7    . LIG_G  G  7  .   ? 10.817  -12.661 15.657  1.00 1.43  1   G  1 
HETATM 1786 C C27   . LIG_G  G  7  .   ? 9.876   -11.831 15.684  1.00 1.43  1   G  1 
HETATM 1787 O O8    . LIG_G  G  7  .   ? 9.363   -11.407 14.703  1.00 1.39  1   G  1 
HETATM 1788 C C28   . LIG_G  G  7  .   ? 9.512   -11.460 16.843  1.00 1.32  1   G  1 
HETATM 1789 C C29   . LIG_G  G  7  .   ? 8.811   -10.951 17.495  1.00 1.43  1   G  1 
HETATM 1790 C C30   . LIG_G  G  7  .   ? 8.264   -10.471 18.364  1.00 1.46  1   G  1 
HETATM 1791 C C31   . LIG_G  G  7  .   ? 7.719   -9.909  19.165  1.00 1.41  1   G  1 
HETATM 1792 C C32   . LIG_G  G  7  .   ? 7.224   -9.364  20.025  1.00 1.56  1   G  1 
HETATM 1793 C C33   . LIG_G  G  7  .   ? 6.734   -8.791  20.880  1.00 1.48  1   G  1 
HETATM 1794 C C34   . LIG_G  G  7  .   ? 6.244   -8.253  21.761  1.00 1.45  1   G  1 
HETATM 1795 C C35   . LIG_G  G  7  .   ? 5.738   -7.758  22.664  1.00 1.51  1   G  1 
HETATM 1796 C C36   . LIG_G  G  7  .   ? 5.200   -7.314  23.570  1.00 1.52  1   G  1 
HETATM 1797 C C37   . LIG_G  G  7  .   ? 4.622   -6.945  24.500  1.00 1.57  1   G  1 
HETATM 1798 C C38   . LIG_G  G  7  .   ? 3.987   -6.657  25.425  1.00 1.48  1   G  1 
HETATM 1799 C C39   . LIG_G  G  7  .   ? 3.291   -6.451  26.352  1.00 1.56  1   G  1 
HETATM 1800 C C40   . LIG_G  G  7  .   ? 2.549   -6.366  27.226  1.00 1.74  1   G  1 
HETATM 1801 C C41   . LIG_G  G  7  .   ? 1.770   -6.342  28.080  1.00 1.50  1   G  1 
HETATM 1802 C C42   . LIG_G  G  7  .   ? 1.015   -6.352  28.891  1.00 1.49  1   G  1 
HETATM 1803 C C43   . LIG_G  G  7  .   ? 0.263   -6.293  29.697  1.00 1.37  1   G  1 
HETATM 1804 C C44   . LIG_G  G  7  .   ? -0.532  -6.192  30.571  1.00 1.48  1   G  1 
HETATM 1805 C C1    . LIG_H  H  8  .   ? -19.746 2.695   7.916   1.00 1.73  1   H  1 
HETATM 1806 C C2    . LIG_H  H  8  .   ? -20.369 3.429   8.023   1.00 1.77  1   H  1 
HETATM 1807 C C3    . LIG_H  H  8  .   ? -20.625 4.077   7.235   1.00 1.71  1   H  1 
HETATM 1808 C C4    . LIG_H  H  8  .   ? -20.612 4.229   6.198   1.00 1.92  1   H  1 
HETATM 1809 C C5    . LIG_H  H  8  .   ? -20.567 4.235   5.145   1.00 1.81  1   H  1 
HETATM 1810 C C6    . LIG_H  H  8  .   ? -20.517 4.087   4.098   1.00 1.68  1   H  1 
HETATM 1811 C C7    . LIG_H  H  8  .   ? -20.511 3.904   3.078   1.00 1.55  1   H  1 
HETATM 1812 C C8    . LIG_H  H  8  .   ? -20.519 3.706   2.044   1.00 1.61  1   H  1 
HETATM 1813 C C9    . LIG_H  H  8  .   ? -20.543 3.561   1.010   1.00 1.60  1   H  1 
HETATM 1814 C C10   . LIG_H  H  8  .   ? -20.579 3.505   -0.082  1.00 1.70  1   H  1 
HETATM 1815 C C11   . LIG_H  H  8  .   ? -20.639 3.518   -1.155  1.00 1.59  1   H  1 
HETATM 1816 C C12   . LIG_H  H  8  .   ? -20.719 3.541   -2.238  1.00 1.64  1   H  1 
HETATM 1817 C C13   . LIG_H  H  8  .   ? -20.876 3.562   -3.297  1.00 1.35  1   H  1 
HETATM 1818 C C14   . LIG_H  H  8  .   ? -20.974 3.523   -4.387  1.00 1.35  1   H  1 
HETATM 1819 C C15   . LIG_H  H  8  .   ? -21.213 3.493   -5.432  1.00 1.31  1   H  1 
HETATM 1820 C C16   . LIG_H  H  8  .   ? -21.281 3.359   -6.536  1.00 1.31  1   H  1 
HETATM 1821 C C17   . LIG_H  H  8  .   ? -21.654 3.273   -7.566  1.00 1.21  1   H  1 
HETATM 1822 C C18   . LIG_H  H  8  .   ? -21.308 2.954   -8.735  1.00 1.24  1   H  1 
HETATM 1823 O O1    . LIG_H  H  8  .   ? -22.044 2.989   -9.645  1.00 1.57  1   H  1 
HETATM 1824 O O2    . LIG_H  H  8  .   ? -20.144 2.628   -8.780  1.00 1.51  1   H  1 
HETATM 1825 C C19   . LIG_H  H  8  .   ? -19.683 2.303   -9.953  1.00 1.19  1   H  1 
HETATM 1826 C C20   . LIG_H  H  8  .   ? -18.274 2.603   -10.059 1.00 1.25  1   H  1 
HETATM 1827 C C21   . LIG_H  H  8  .   ? -17.817 2.258   -11.417 1.00 1.27  1   H  1 
HETATM 1828 O O3    . LIG_H  H  8  .   ? -17.160 1.103   -11.404 1.00 1.32  1   H  1 
HETATM 1829 P P1    . LIG_H  H  8  .   ? -16.528 0.540   -12.687 1.00 1.29  1   H  1 
HETATM 1830 O O4    . LIG_H  H  8  .   ? -15.957 -0.706  -12.347 1.00 1.20  1   H  1 
HETATM 1831 O O5    . LIG_H  H  8  .   ? -17.419 0.663   -13.768 1.00 1.21  1   H  1 
HETATM 1832 O O6    . LIG_H  H  8  .   ? -15.378 1.578   -12.894 1.00 1.31  1   H  1 
HETATM 1833 C C22   . LIG_H  H  8  .   ? -14.148 1.341   -12.702 1.00 1.42  1   H  1 
HETATM 1834 C C23   . LIG_H  H  8  .   ? -13.385 2.383   -13.176 1.00 1.40  1   H  1 
HETATM 1835 N N1    . LIG_H  H  8  .   ? -13.208 2.467   -14.535 1.00 2.09  1   H  1 
HETATM 1836 C C24   . LIG_H  H  8  .   ? -12.463 1.342   -14.966 1.00 1.49  1   H  1 
HETATM 1837 C C25   . LIG_H  H  8  .   ? -12.504 3.647   -14.781 1.00 1.56  1   H  1 
HETATM 1838 C C26   . LIG_H  H  8  .   ? -14.431 2.510   -15.237 1.00 1.48  1   H  1 
HETATM 1839 O O7    . LIG_H  H  8  .   ? -17.604 1.852   -9.130  1.00 1.38  1   H  1 
HETATM 1840 C C27   . LIG_H  H  8  .   ? -16.840 2.514   -8.397  1.00 1.46  1   H  1 
HETATM 1841 O O8    . LIG_H  H  8  .   ? -16.641 3.681   -8.570  1.00 1.36  1   H  1 
HETATM 1842 C C28   . LIG_H  H  8  .   ? -16.328 1.877   -7.424  1.00 1.34  1   H  1 
HETATM 1843 C C29   . LIG_H  H  8  .   ? -15.972 2.139   -6.428  1.00 1.45  1   H  1 
HETATM 1844 C C30   . LIG_H  H  8  .   ? -15.704 2.149   -5.404  1.00 1.50  1   H  1 
HETATM 1845 C C31   . LIG_H  H  8  .   ? -15.542 2.244   -4.351  1.00 1.42  1   H  1 
HETATM 1846 C C32   . LIG_H  H  8  .   ? -15.517 2.235   -3.288  1.00 1.54  1   H  1 
HETATM 1847 C C33   . LIG_H  H  8  .   ? -15.593 2.227   -2.221  1.00 1.57  1   H  1 
HETATM 1848 C C34   . LIG_H  H  8  .   ? -15.710 2.166   -1.156  1.00 1.49  1   H  1 
HETATM 1849 C C35   . LIG_H  H  8  .   ? -15.811 2.090   -0.084  1.00 1.45  1   H  1 
HETATM 1850 C C36   . LIG_H  H  8  .   ? -15.910 1.997   0.989   1.00 1.54  1   H  1 
HETATM 1851 C C37   . LIG_H  H  8  .   ? -16.038 1.914   2.070   1.00 1.55  1   H  1 
HETATM 1852 C C38   . LIG_H  H  8  .   ? -16.239 1.850   3.141   1.00 1.46  1   H  1 
HETATM 1853 C C39   . LIG_H  H  8  .   ? -16.539 1.779   4.208   1.00 1.52  1   H  1 
HETATM 1854 C C40   . LIG_H  H  8  .   ? -16.946 1.748   5.221   1.00 1.61  1   H  1 
HETATM 1855 C C41   . LIG_H  H  8  .   ? -17.415 1.742   6.199   1.00 1.42  1   H  1 
HETATM 1856 C C42   . LIG_H  H  8  .   ? -17.919 1.785   7.108   1.00 1.37  1   H  1 
HETATM 1857 C C43   . LIG_H  H  8  .   ? -18.373 1.837   7.993   1.00 1.33  1   H  1 
HETATM 1858 C C44   . LIG_H  H  8  .   ? -18.831 1.849   9.055   1.00 1.35  1   H  1 
HETATM 1859 C C1    . LIG_I  I  9  .   ? -18.483 -8.569  8.306   1.00 1.77  1   I  1 
HETATM 1860 C C2    . LIG_I  I  9  .   ? -18.715 -8.583  7.569   1.00 1.82  1   I  1 
HETATM 1861 C C3    . LIG_I  I  9  .   ? -18.450 -9.143  6.760   1.00 1.76  1   I  1 
HETATM 1862 C C4    . LIG_I  I  9  .   ? -18.165 -9.861  6.191   1.00 1.93  1   I  1 
HETATM 1863 C C5    . LIG_I  I  9  .   ? -17.885 -10.593 5.579   1.00 1.77  1   I  1 
HETATM 1864 C C6    . LIG_I  I  9  .   ? -17.605 -11.353 5.066   1.00 1.60  1   I  1 
HETATM 1865 C C7    . LIG_I  I  9  .   ? -17.536 -11.988 4.336   1.00 1.58  1   I  1 
HETATM 1866 C C8    . LIG_I  I  9  .   ? -17.586 -12.458 3.489   1.00 1.57  1   I  1 
HETATM 1867 C C9    . LIG_I  I  9  .   ? -17.599 -12.898 2.600   1.00 1.57  1   I  1 
HETATM 1868 C C10   . LIG_I  I  9  .   ? -17.546 -13.288 1.659   1.00 1.68  1   I  1 
HETATM 1869 C C11   . LIG_I  I  9  .   ? -17.296 -13.624 0.759   1.00 1.57  1   I  1 
HETATM 1870 C C12   . LIG_I  I  9  .   ? -16.779 -14.074 0.013   1.00 1.62  1   I  1 
HETATM 1871 C C13   . LIG_I  I  9  .   ? -16.070 -14.530 -0.569  1.00 1.33  1   I  1 
HETATM 1872 C C14   . LIG_I  I  9  .   ? -15.423 -14.935 -1.257  1.00 1.31  1   I  1 
HETATM 1873 C C15   . LIG_I  I  9  .   ? -14.860 -15.260 -2.064  1.00 1.31  1   I  1 
HETATM 1874 C C16   . LIG_I  I  9  .   ? -14.602 -15.440 -3.078  1.00 1.32  1   I  1 
HETATM 1875 C C17   . LIG_I  I  9  .   ? -14.068 -15.680 -3.939  1.00 1.22  1   I  1 
HETATM 1876 C C18   . LIG_I  I  9  .   ? -12.921 -15.963 -4.306  1.00 1.25  1   I  1 
HETATM 1877 O O1    . LIG_I  I  9  .   ? -12.582 -17.075 -4.392  1.00 1.52  1   I  1 
HETATM 1878 O O2    . LIG_I  I  9  .   ? -12.213 -14.976 -4.470  1.00 1.53  1   I  1 
HETATM 1879 C C19   . LIG_I  I  9  .   ? -10.973 -15.228 -4.716  1.00 1.19  1   I  1 
HETATM 1880 C C20   . LIG_I  I  9  .   ? -10.193 -14.056 -4.994  1.00 1.24  1   I  1 
HETATM 1881 C C21   . LIG_I  I  9  .   ? -8.962  -14.502 -5.652  1.00 1.23  1   I  1 
HETATM 1882 O O3    . LIG_I  I  9  .   ? -9.330  -15.229 -6.712  1.00 1.26  1   I  1 
HETATM 1883 P P1    . LIG_I  I  9  .   ? -8.425  -16.226 -7.445  1.00 1.20  1   I  1 
HETATM 1884 O O4    . LIG_I  I  9  .   ? -9.049  -16.455 -8.707  1.00 1.17  1   I  1 
HETATM 1885 O O5    . LIG_I  I  9  .   ? -8.055  -17.294 -6.640  1.00 1.20  1   I  1 
HETATM 1886 O O6    . LIG_I  I  9  .   ? -7.205  -15.325 -7.633  1.00 1.23  1   I  1 
HETATM 1887 C C22   . LIG_I  I  9  .   ? -6.401  -15.426 -8.589  1.00 1.24  1   I  1 
HETATM 1888 C C23   . LIG_I  I  9  .   ? -5.208  -14.810 -8.242  1.00 1.25  1   I  1 
HETATM 1889 N N1    . LIG_I  I  9  .   ? -5.178  -13.445 -8.186  1.00 1.85  1   I  1 
HETATM 1890 C C24   . LIG_I  I  9  .   ? -5.721  -12.876 -9.362  1.00 1.36  1   I  1 
HETATM 1891 C C25   . LIG_I  I  9  .   ? -3.839  -13.096 -8.053  1.00 1.42  1   I  1 
HETATM 1892 C C26   . LIG_I  I  9  .   ? -5.890  -12.975 -7.066  1.00 1.44  1   I  1 
HETATM 1893 O O7    . LIG_I  I  9  .   ? -9.883  -13.474 -3.789  1.00 1.39  1   I  1 
HETATM 1894 C C27   . LIG_I  I  9  .   ? -10.326 -12.325 -3.603  1.00 1.44  1   I  1 
HETATM 1895 O O8    . LIG_I  I  9  .   ? -10.840 -11.678 -4.445  1.00 1.36  1   I  1 
HETATM 1896 C C28   . LIG_I  I  9  .   ? -10.172 -11.921 -2.388  1.00 1.33  1   I  1 
HETATM 1897 C C29   . LIG_I  I  9  .   ? -10.707 -11.679 -1.477  1.00 1.41  1   I  1 
HETATM 1898 C C30   . LIG_I  I  9  .   ? -10.949 -11.453 -0.401  1.00 1.44  1   I  1 
HETATM 1899 C C31   . LIG_I  I  9  .   ? -11.338 -11.299 0.611   1.00 1.38  1   I  1 
HETATM 1900 C C32   . LIG_I  I  9  .   ? -11.582 -11.184 1.687   1.00 1.52  1   I  1 
HETATM 1901 C C33   . LIG_I  I  9  .   ? -11.903 -11.156 2.741   1.00 1.51  1   I  1 
HETATM 1902 C C34   . LIG_I  I  9  .   ? -12.184 -11.175 3.818   1.00 1.52  1   I  1 
HETATM 1903 C C35   . LIG_I  I  9  .   ? -12.489 -11.220 4.873   1.00 1.49  1   I  1 
HETATM 1904 C C36   . LIG_I  I  9  .   ? -12.775 -11.274 5.919   1.00 1.59  1   I  1 
HETATM 1905 C C37   . LIG_I  I  9  .   ? -13.218 -11.135 6.900   1.00 1.59  1   I  1 
HETATM 1906 C C38   . LIG_I  I  9  .   ? -13.834 -10.729 7.679   1.00 1.49  1   I  1 
HETATM 1907 C C39   . LIG_I  I  9  .   ? -14.520 -10.263 8.379   1.00 1.59  1   I  1 
HETATM 1908 C C40   . LIG_I  I  9  .   ? -15.303 -9.743  8.896   1.00 1.69  1   I  1 
HETATM 1909 C C41   . LIG_I  I  9  .   ? -16.172 -9.221  9.216   1.00 1.38  1   I  1 
HETATM 1910 C C42   . LIG_I  I  9  .   ? -17.065 -8.733  9.481   1.00 1.39  1   I  1 
HETATM 1911 C C43   . LIG_I  I  9  .   ? -17.927 -8.236  9.780   1.00 1.33  1   I  1 
HETATM 1912 C C44   . LIG_I  I  9  .   ? -18.881 -7.696  10.173  1.00 1.36  1   I  1 
HETATM 1913 C C1    . LIG_J  J  10 .   ? -5.275  3.740   4.428   1.00 2.19  1   J  1 
HETATM 1914 C C2    . LIG_J  J  10 .   ? -5.882  2.840   4.797   1.00 2.08  1   J  1 
HETATM 1915 C C3    . LIG_J  J  10 .   ? -5.735  2.323   5.690   1.00 2.05  1   J  1 
HETATM 1916 C C4    . LIG_J  J  10 .   ? -5.100  2.303   6.583   1.00 2.20  1   J  1 
HETATM 1917 C C5    . LIG_J  J  10 .   ? -4.377  2.387   7.381   1.00 2.03  1   J  1 
HETATM 1918 C C6    . LIG_J  J  10 .   ? -3.543  2.308   8.073   1.00 1.89  1   J  1 
HETATM 1919 C C7    . LIG_J  J  10 .   ? -2.660  1.937   8.542   1.00 1.73  1   J  1 
HETATM 1920 C C8    . LIG_J  J  10 .   ? -1.815  1.367   8.751   1.00 1.75  1   J  1 
HETATM 1921 C C9    . LIG_J  J  10 .   ? -1.089  0.634   8.625   1.00 1.82  1   J  1 
HETATM 1922 C C10   . LIG_J  J  10 .   ? -0.522  -0.201  8.243   1.00 2.04  1   J  1 
HETATM 1923 C C11   . LIG_J  J  10 .   ? -0.109  -1.016  7.710   1.00 1.97  1   J  1 
HETATM 1924 C C12   . LIG_J  J  10 .   ? 0.342   -1.834  7.143   1.00 2.09  1   J  1 
HETATM 1925 C C13   . LIG_J  J  10 .   ? 0.749   -2.633  6.550   1.00 1.63  1   J  1 
HETATM 1926 C C14   . LIG_J  J  10 .   ? 1.250   -3.419  5.961   1.00 1.66  1   J  1 
HETATM 1927 C C15   . LIG_J  J  10 .   ? 1.731   -4.158  5.368   1.00 1.62  1   J  1 
HETATM 1928 C C16   . LIG_J  J  10 .   ? 2.458   -4.784  4.777   1.00 1.69  1   J  1 
HETATM 1929 C C17   . LIG_J  J  10 .   ? 3.011   -5.243  4.092   1.00 1.50  1   J  1 
HETATM 1930 C C18   . LIG_J  J  10 .   ? 4.067   -5.720  3.564   1.00 1.63  1   J  1 
HETATM 1931 O O1    . LIG_J  J  10 .   ? 4.891   -6.244  4.209   1.00 2.26  1   J  1 
HETATM 1932 O O2    . LIG_J  J  10 .   ? 4.110   -5.521  2.380   1.00 2.21  1   J  1 
HETATM 1933 C C19   . LIG_J  J  10 .   ? 5.220   -5.845  1.839   1.00 1.62  1   J  1 
HETATM 1934 C C20   . LIG_J  J  10 .   ? 5.474   -5.127  0.631   1.00 2.19  1   J  1 
HETATM 1935 C C21   . LIG_J  J  10 .   ? 6.822   -5.560  0.235   1.00 2.15  1   J  1 
HETATM 1936 O O3    . LIG_J  J  10 .   ? 6.919   -5.638  -1.060  1.00 2.59  1   J  1 
HETATM 1937 P P1    . LIG_J  J  10 .   ? 8.178   -6.179  -1.738  1.00 3.31  1   J  1 
HETATM 1938 O O4    . LIG_J  J  10 .   ? 8.334   -7.557  -1.376  1.00 2.64  1   J  1 
HETATM 1939 O O5    . LIG_J  J  10 .   ? 8.108   -5.826  -3.080  1.00 3.43  1   J  1 
HETATM 1940 O O6    . LIG_J  J  10 .   ? 9.290   -5.415  -1.004  1.00 2.98  1   J  1 
HETATM 1941 C C22   . LIG_J  J  10 .   ? 9.493   -4.168  -1.040  1.00 3.73  1   J  1 
HETATM 1942 C C23   . LIG_J  J  10 .   ? 9.537   -3.678  0.260   1.00 3.92  1   J  1 
HETATM 1943 N N1    . LIG_J  J  10 .   ? 10.333  -2.620  0.535   1.00 6.48  1   J  1 
HETATM 1944 C C24   . LIG_J  J  10 .   ? 11.634  -2.882  0.039   1.00 5.00  1   J  1 
HETATM 1945 C C25   . LIG_J  J  10 .   ? 9.796   -1.484  -0.057  1.00 5.44  1   J  1 
HETATM 1946 C C26   . LIG_J  J  10 .   ? 10.359  -2.521  1.924   1.00 5.71  1   J  1 
HETATM 1947 O O7    . LIG_J  J  10 .   ? 5.444   -3.794  0.944   1.00 2.35  1   J  1 
HETATM 1948 C C27   . LIG_J  J  10 .   ? 5.056   -2.992  0.059   1.00 2.88  1   J  1 
HETATM 1949 O O8    . LIG_J  J  10 .   ? 5.012   -3.253  -1.100  1.00 1.98  1   J  1 
HETATM 1950 C C28   . LIG_J  J  10 .   ? 4.731   -1.813  0.504   1.00 2.62  1   J  1 
HETATM 1951 C C29   . LIG_J  J  10 .   ? 4.255   -0.865  0.134   1.00 2.83  1   J  1 
HETATM 1952 C C30   . LIG_J  J  10 .   ? 3.911   0.198   0.250   1.00 3.09  1   J  1 
HETATM 1953 C C31   . LIG_J  J  10 .   ? 3.589   1.236   0.308   1.00 2.93  1   J  1 
HETATM 1954 C C32   . LIG_J  J  10 .   ? 3.347   2.284   0.548   1.00 3.59  1   J  1 
HETATM 1955 C C33   . LIG_J  J  10 .   ? 3.136   3.316   0.811   1.00 3.07  1   J  1 
HETATM 1956 C C34   . LIG_J  J  10 .   ? 2.942   4.351   1.151   1.00 3.03  1   J  1 
HETATM 1957 C C35   . LIG_J  J  10 .   ? 2.724   5.332   1.522   1.00 2.57  1   J  1 
HETATM 1958 C C36   . LIG_J  J  10 .   ? 2.314   6.250   1.955   1.00 2.90  1   J  1 
HETATM 1959 C C37   . LIG_J  J  10 .   ? 1.658   6.942   2.442   1.00 2.82  1   J  1 
HETATM 1960 C C38   . LIG_J  J  10 .   ? 0.835   7.414   2.963   1.00 2.27  1   J  1 
HETATM 1961 C C39   . LIG_J  J  10 .   ? -0.161  7.590   3.407   1.00 2.57  1   J  1 
HETATM 1962 C C40   . LIG_J  J  10 .   ? -1.222  7.303   3.622   1.00 3.00  1   J  1 
HETATM 1963 C C41   . LIG_J  J  10 .   ? -2.272  6.942   3.796   1.00 2.53  1   J  1 
HETATM 1964 C C42   . LIG_J  J  10 .   ? -3.215  6.419   3.855   1.00 2.37  1   J  1 
HETATM 1965 C C43   . LIG_J  J  10 .   ? -4.209  6.277   4.125   1.00 2.14  1   J  1 
HETATM 1966 C C44   . LIG_J  J  10 .   ? -5.180  6.697   4.658   1.00 2.15  1   J  1 
HETATM 1967 C C1    . LIG_K  K  11 .   ? -9.986  2.400   10.533  1.00 1.82  1   K  1 
HETATM 1968 C C2    . LIG_K  K  11 .   ? -10.369 3.237   10.628  1.00 1.74  1   K  1 
HETATM 1969 C C3    . LIG_K  K  11 .   ? -11.145 3.598   11.313  1.00 1.69  1   K  1 
HETATM 1970 C C4    . LIG_K  K  11 .   ? -11.942 3.455   12.006  1.00 1.88  1   K  1 
HETATM 1971 C C5    . LIG_K  K  11 .   ? -12.752 3.311   12.731  1.00 1.80  1   K  1 
HETATM 1972 C C6    . LIG_K  K  11 .   ? -13.567 3.045   13.406  1.00 1.63  1   K  1 
HETATM 1973 C C7    . LIG_K  K  11 .   ? -14.393 2.798   14.045  1.00 1.60  1   K  1 
HETATM 1974 C C8    . LIG_K  K  11 .   ? -15.246 2.567   14.672  1.00 1.59  1   K  1 
HETATM 1975 C C9    . LIG_K  K  11 .   ? -16.110 2.407   15.266  1.00 1.66  1   K  1 
HETATM 1976 C C10   . LIG_K  K  11 .   ? -17.031 2.291   15.879  1.00 1.78  1   K  1 
HETATM 1977 C C11   . LIG_K  K  11 .   ? -17.953 2.226   16.447  1.00 1.69  1   K  1 
HETATM 1978 C C12   . LIG_K  K  11 .   ? -18.876 2.188   17.036  1.00 1.69  1   K  1 
HETATM 1979 C C13   . LIG_K  K  11 .   ? -19.809 2.213   17.576  1.00 1.41  1   K  1 
HETATM 1980 C C14   . LIG_K  K  11 .   ? -20.703 2.206   18.212  1.00 1.35  1   K  1 
HETATM 1981 C C15   . LIG_K  K  11 .   ? -21.623 2.245   18.800  1.00 1.32  1   K  1 
HETATM 1982 C C16   . LIG_K  K  11 .   ? -22.422 2.199   19.604  1.00 1.29  1   K  1 
HETATM 1983 C C17   . LIG_K  K  11 .   ? -23.365 2.307   20.168  1.00 1.20  1   K  1 
HETATM 1984 C C18   . LIG_K  K  11 .   ? -23.920 2.160   21.316  1.00 1.20  1   K  1 
HETATM 1985 O O1    . LIG_K  K  11 .   ? -24.946 2.647   21.566  1.00 1.67  1   K  1 
HETATM 1986 O O2    . LIG_K  K  11 .   ? -23.239 1.494   22.072  1.00 1.52  1   K  1 
HETATM 1987 C C19   . LIG_K  K  11 .   ? -23.613 1.447   23.322  1.00 1.20  1   K  1 
HETATM 1988 C C20   . LIG_K  K  11 .   ? -22.654 0.741   24.143  1.00 1.23  1   K  1 
HETATM 1989 C C21   . LIG_K  K  11 .   ? -22.987 0.875   25.572  1.00 1.23  1   K  1 
HETATM 1990 O O3    . LIG_K  K  11 .   ? -23.806 -0.112  25.916  1.00 1.28  1   K  1 
HETATM 1991 P P1    . LIG_K  K  11 .   ? -24.142 -0.380  27.399  1.00 1.26  1   K  1 
HETATM 1992 O O4    . LIG_K  K  11 .   ? -24.697 -1.678  27.449  1.00 1.22  1   K  1 
HETATM 1993 O O5    . LIG_K  K  11 .   ? -23.076 -0.085  28.220  1.00 1.22  1   K  1 
HETATM 1994 O O6    . LIG_K  K  11 .   ? -25.217 0.689   27.607  1.00 1.24  1   K  1 
HETATM 1995 C C22   . LIG_K  K  11 .   ? -26.416 0.497   27.337  1.00 1.27  1   K  1 
HETATM 1996 C C23   . LIG_K  K  11 .   ? -27.144 1.646   27.240  1.00 1.26  1   K  1 
HETATM 1997 N N1    . LIG_K  K  11 .   ? -27.973 1.780   26.167  1.00 1.92  1   K  1 
HETATM 1998 C C24   . LIG_K  K  11 .   ? -29.269 1.939   26.639  1.00 1.35  1   K  1 
HETATM 1999 C C25   . LIG_K  K  11 .   ? -27.908 0.661   25.312  1.00 1.41  1   K  1 
HETATM 2000 C C26   . LIG_K  K  11 .   ? -27.537 2.921   25.476  1.00 1.50  1   K  1 
HETATM 2001 O O7    . LIG_K  K  11 .   ? -21.394 1.285   23.962  1.00 1.38  1   K  1 
HETATM 2002 C C27   . LIG_K  K  11 .   ? -20.514 0.491   23.566  1.00 1.41  1   K  1 
HETATM 2003 O O8    . LIG_K  K  11 .   ? -20.653 -0.688  23.645  1.00 1.40  1   K  1 
HETATM 2004 C C28   . LIG_K  K  11 .   ? -19.461 0.999   23.019  1.00 1.29  1   K  1 
HETATM 2005 C C29   . LIG_K  K  11 .   ? -18.666 0.587   22.303  1.00 1.37  1   K  1 
HETATM 2006 C C30   . LIG_K  K  11 .   ? -17.843 0.415   21.619  1.00 1.39  1   K  1 
HETATM 2007 C C31   . LIG_K  K  11 .   ? -17.056 0.116   20.895  1.00 1.38  1   K  1 
HETATM 2008 C C32   . LIG_K  K  11 .   ? -16.254 -0.102  20.192  1.00 1.55  1   K  1 
HETATM 2009 C C33   . LIG_K  K  11 .   ? -15.470 -0.324  19.443  1.00 1.54  1   K  1 
HETATM 2010 C C34   . LIG_K  K  11 .   ? -14.703 -0.495  18.658  1.00 1.57  1   K  1 
HETATM 2011 C C35   . LIG_K  K  11 .   ? -13.954 -0.623  17.845  1.00 1.54  1   K  1 
HETATM 2012 C C36   . LIG_K  K  11 .   ? -13.240 -0.687  16.987  1.00 1.64  1   K  1 
HETATM 2013 C C37   . LIG_K  K  11 .   ? -12.561 -0.714  16.083  1.00 1.66  1   K  1 
HETATM 2014 C C38   . LIG_K  K  11 .   ? -11.897 -0.673  15.159  1.00 1.50  1   K  1 
HETATM 2015 C C39   . LIG_K  K  11 .   ? -11.261 -0.529  14.214  1.00 1.55  1   K  1 
HETATM 2016 C C40   . LIG_K  K  11 .   ? -10.676 -0.284  13.288  1.00 1.69  1   K  1 
HETATM 2017 C C41   . LIG_K  K  11 .   ? -10.139 0.056   12.360  1.00 1.43  1   K  1 
HETATM 2018 C C42   . LIG_K  K  11 .   ? -9.635  0.381   11.481  1.00 1.35  1   K  1 
HETATM 2019 C C43   . LIG_K  K  11 .   ? -9.123  0.671   10.560  1.00 1.33  1   K  1 
HETATM 2020 C C44   . LIG_K  K  11 .   ? -8.530  0.845   9.518   1.00 1.41  1   K  1 
HETATM 2021 C C1    . LIG_L  L  12 .   ? -27.610 9.322   8.017   1.00 1.85  1   L  1 
HETATM 2022 C C2    . LIG_L  L  12 .   ? -26.889 9.192   8.643   1.00 1.93  1   L  1 
HETATM 2023 C C3    . LIG_L  L  12 .   ? -25.827 8.943   8.468   1.00 1.83  1   L  1 
HETATM 2024 C C4    . LIG_L  L  12 .   ? -24.967 8.704   7.841   1.00 2.01  1   L  1 
HETATM 2025 C C5    . LIG_L  L  12 .   ? -24.109 8.504   7.166   1.00 1.83  1   L  1 
HETATM 2026 C C6    . LIG_L  L  12 .   ? -23.333 8.327   6.353   1.00 1.60  1   L  1 
HETATM 2027 C C7    . LIG_L  L  12 .   ? -22.632 8.178   5.504   1.00 1.53  1   L  1 
HETATM 2028 C C8    . LIG_L  L  12 .   ? -22.004 8.048   4.578   1.00 1.55  1   L  1 
HETATM 2029 C C9    . LIG_L  L  12 .   ? -21.431 7.919   3.645   1.00 1.57  1   L  1 
HETATM 2030 C C10   . LIG_L  L  12 .   ? -20.858 7.804   2.650   1.00 1.74  1   L  1 
HETATM 2031 C C11   . LIG_L  L  12 .   ? -20.314 7.679   1.689   1.00 1.61  1   L  1 
HETATM 2032 C C12   . LIG_L  L  12 .   ? -19.765 7.539   0.700   1.00 1.71  1   L  1 
HETATM 2033 C C13   . LIG_L  L  12 .   ? -19.247 7.387   -0.278  1.00 1.38  1   L  1 
HETATM 2034 C C14   . LIG_L  L  12 .   ? -18.709 7.273   -1.283  1.00 1.39  1   L  1 
HETATM 2035 C C15   . LIG_L  L  12 .   ? -18.226 7.109   -2.260  1.00 1.37  1   L  1 
HETATM 2036 C C16   . LIG_L  L  12 .   ? -17.680 7.096   -3.288  1.00 1.36  1   L  1 
HETATM 2037 C C17   . LIG_L  L  12 .   ? -17.334 6.910   -4.283  1.00 1.27  1   L  1 
HETATM 2038 C C18   . LIG_L  L  12 .   ? -16.715 7.276   -5.367  1.00 1.35  1   L  1 
HETATM 2039 O O1    . LIG_L  L  12 .   ? -15.911 8.130   -5.346  1.00 1.75  1   L  1 
HETATM 2040 O O2    . LIG_L  L  12 .   ? -17.050 6.677   -6.371  1.00 1.62  1   L  1 
HETATM 2041 C C19   . LIG_L  L  12 .   ? -16.576 7.130   -7.546  1.00 1.22  1   L  1 
HETATM 2042 C C20   . LIG_L  L  12 .   ? -17.573 6.866   -8.557  1.00 1.32  1   L  1 
HETATM 2043 C C21   . LIG_L  L  12 .   ? -17.134 6.989   -9.948  1.00 1.32  1   L  1 
HETATM 2044 O O3    . LIG_L  L  12 .   ? -16.003 7.616   -10.140 1.00 1.38  1   L  1 
HETATM 2045 P P1    . LIG_L  L  12 .   ? -15.314 7.473   -11.527 1.00 1.40  1   L  1 
HETATM 2046 O O4    . LIG_L  L  12 .   ? -14.400 8.549   -11.666 1.00 1.27  1   L  1 
HETATM 2047 O O5    . LIG_L  L  12 .   ? -16.251 7.243   -12.552 1.00 1.29  1   L  1 
HETATM 2048 O O6    . LIG_L  L  12 .   ? -14.574 6.128   -11.329 1.00 1.38  1   L  1 
HETATM 2049 C C22   . LIG_L  L  12 .   ? -13.513 6.100   -10.764 1.00 1.57  1   L  1 
HETATM 2050 C C23   . LIG_L  L  12 .   ? -12.863 4.923   -10.560 1.00 1.58  1   L  1 
HETATM 2051 N N1    . LIG_L  L  12 .   ? -11.957 4.965   -9.529  1.00 2.65  1   L  1 
HETATM 2052 C C24   . LIG_L  L  12 .   ? -11.137 3.845   -9.637  1.00 1.90  1   L  1 
HETATM 2053 C C25   . LIG_L  L  12 .   ? -12.678 4.962   -8.325  1.00 1.77  1   L  1 
HETATM 2054 C C26   . LIG_L  L  12 .   ? -11.163 6.130   -9.604  1.00 2.16  1   L  1 
HETATM 2055 O O7    . LIG_L  L  12 .   ? -18.581 7.781   -8.386  1.00 1.41  1   L  1 
HETATM 2056 C C27   . LIG_L  L  12 .   ? -19.730 7.269   -8.291  1.00 1.49  1   L  1 
HETATM 2057 O O8    . LIG_L  L  12 .   ? -19.955 6.166   -8.676  1.00 1.36  1   L  1 
HETATM 2058 C C28   . LIG_L  L  12 .   ? -20.604 7.970   -7.671  1.00 1.33  1   L  1 
HETATM 2059 C C29   . LIG_L  L  12 .   ? -21.224 7.778   -6.709  1.00 1.42  1   L  1 
HETATM 2060 C C30   . LIG_L  L  12 .   ? -21.778 7.706   -5.764  1.00 1.42  1   L  1 
HETATM 2061 C C31   . LIG_L  L  12 .   ? -22.302 7.562   -4.767  1.00 1.43  1   L  1 
HETATM 2062 C C32   . LIG_L  L  12 .   ? -22.810 7.479   -3.789  1.00 1.60  1   L  1 
HETATM 2063 C C33   . LIG_L  L  12 .   ? -23.334 7.426   -2.786  1.00 1.55  1   L  1 
HETATM 2064 C C34   . LIG_L  L  12 .   ? -23.866 7.436   -1.795  1.00 1.49  1   L  1 
HETATM 2065 C C35   . LIG_L  L  12 .   ? -24.423 7.503   -0.805  1.00 1.54  1   L  1 
HETATM 2066 C C36   . LIG_L  L  12 .   ? -24.995 7.628   0.170   1.00 1.53  1   L  1 
HETATM 2067 C C37   . LIG_L  L  12 .   ? -25.578 7.824   1.144   1.00 1.55  1   L  1 
HETATM 2068 C C38   . LIG_L  L  12 .   ? -26.180 8.067   2.105   1.00 1.44  1   L  1 
HETATM 2069 C C39   . LIG_L  L  12 .   ? -26.793 8.329   3.070   1.00 1.50  1   L  1 
HETATM 2070 C C40   . LIG_L  L  12 .   ? -27.386 8.598   4.015   1.00 1.72  1   L  1 
HETATM 2071 C C41   . LIG_L  L  12 .   ? -27.979 8.879   4.960   1.00 1.47  1   L  1 
HETATM 2072 C C42   . LIG_L  L  12 .   ? -28.576 9.155   5.849   1.00 1.48  1   L  1 
HETATM 2073 C C43   . LIG_L  L  12 .   ? -29.221 9.443   6.676   1.00 1.37  1   L  1 
HETATM 2074 C C44   . LIG_L  L  12 .   ? -30.046 9.762   7.523   1.00 1.44  1   L  1 
HETATM 2075 C C1    . LIG_M  M  13 .   ? -8.710  -4.222  12.303  1.00 1.86  1   M  1 
HETATM 2076 C C2    . LIG_M  M  13 .   ? -8.463  -4.451  13.307  1.00 1.81  1   M  1 
HETATM 2077 C C3    . LIG_M  M  13 .   ? -7.508  -4.832  13.695  1.00 1.69  1   M  1 
HETATM 2078 C C4    . LIG_M  M  13 .   ? -6.492  -5.045  13.418  1.00 1.88  1   M  1 
HETATM 2079 C C5    . LIG_M  M  13 .   ? -5.512  -5.184  12.987  1.00 1.77  1   M  1 
HETATM 2080 C C6    . LIG_M  M  13 .   ? -4.597  -5.303  12.425  1.00 1.63  1   M  1 
HETATM 2081 C C7    . LIG_M  M  13 .   ? -3.761  -5.464  11.814  1.00 1.53  1   M  1 
HETATM 2082 C C8    . LIG_M  M  13 .   ? -2.989  -5.709  11.146  1.00 1.57  1   M  1 
HETATM 2083 C C9    . LIG_M  M  13 .   ? -2.260  -6.051  10.473  1.00 1.67  1   M  1 
HETATM 2084 C C10   . LIG_M  M  13 .   ? -1.521  -6.472  9.797   1.00 1.81  1   M  1 
HETATM 2085 C C11   . LIG_M  M  13 .   ? -0.777  -6.919  9.175   1.00 1.73  1   M  1 
HETATM 2086 C C12   . LIG_M  M  13 .   ? -0.015  -7.389  8.543   1.00 1.85  1   M  1 
HETATM 2087 C C13   . LIG_M  M  13 .   ? 0.763   -7.846  7.956   1.00 1.50  1   M  1 
HETATM 2088 C C14   . LIG_M  M  13 .   ? 1.610   -8.249  7.370   1.00 1.50  1   M  1 
HETATM 2089 C C15   . LIG_M  M  13 .   ? 2.449   -8.680  6.891   1.00 1.52  1   M  1 
HETATM 2090 C C16   . LIG_M  M  13 .   ? 3.365   -9.022  6.344   1.00 1.53  1   M  1 
HETATM 2091 C C17   . LIG_M  M  13 .   ? 4.198   -9.433  5.920   1.00 1.39  1   M  1 
HETATM 2092 C C18   . LIG_M  M  13 .   ? 5.240   -9.461  5.187   1.00 1.53  1   M  1 
HETATM 2093 O O1    . LIG_M  M  13 .   ? 6.238   -8.959  5.531   1.00 2.15  1   M  1 
HETATM 2094 O O2    . LIG_M  M  13 .   ? 5.046   -9.998  4.117   1.00 2.07  1   M  1 
HETATM 2095 C C19   . LIG_M  M  13 .   ? 6.016   -9.897  3.243   1.00 1.45  1   M  1 
HETATM 2096 C C20   . LIG_M  M  13 .   ? 5.552   -10.245 1.915   1.00 1.65  1   M  1 
HETATM 2097 C C21   . LIG_M  M  13 .   ? 6.662   -10.207 0.958   1.00 1.68  1   M  1 
HETATM 2098 O O3    . LIG_M  M  13 .   ? 7.713   -10.761 1.520   1.00 1.95  1   M  1 
HETATM 2099 P P1    . LIG_M  M  13 .   ? 8.870   -11.361 0.696   1.00 2.17  1   M  1 
HETATM 2100 O O4    . LIG_M  M  13 .   ? 8.508   -11.400 -0.688  1.00 2.19  1   M  1 
HETATM 2101 O O5    . LIG_M  M  13 .   ? 9.318   -12.524 1.311   1.00 2.23  1   M  1 
HETATM 2102 O O6    . LIG_M  M  13 .   ? 9.899   -10.208 0.856   1.00 2.09  1   M  1 
HETATM 2103 C C22   . LIG_M  M  13 .   ? 10.323  -9.756  1.946   1.00 2.33  1   M  1 
HETATM 2104 C C23   . LIG_M  M  13 .   ? 11.481  -9.040  1.839   1.00 2.40  1   M  1 
HETATM 2105 N N1    . LIG_M  M  13 .   ? 12.694  -9.716  1.808   1.00 3.78  1   M  1 
HETATM 2106 C C24   . LIG_M  M  13 .   ? 13.028  -10.034 0.473   1.00 3.21  1   M  1 
HETATM 2107 C C25   . LIG_M  M  13 .   ? 13.665  -8.876  2.325   1.00 3.03  1   M  1 
HETATM 2108 C C26   . LIG_M  M  13 .   ? 12.641  -10.895 2.578   1.00 3.37  1   M  1 
HETATM 2109 O O7    . LIG_M  M  13 .   ? 4.636   -9.298  1.522   1.00 1.85  1   M  1 
HETATM 2110 C C27   . LIG_M  M  13 .   ? 3.511   -9.740  1.164   1.00 1.88  1   M  1 
HETATM 2111 O O8    . LIG_M  M  13 .   ? 3.310   -10.904 0.984   1.00 1.63  1   M  1 
HETATM 2112 C C28   . LIG_M  M  13 .   ? 2.569   -8.844  1.100   1.00 1.59  1   M  1 
HETATM 2113 C C29   . LIG_M  M  13 .   ? 1.554   -8.779  1.608   1.00 1.66  1   M  1 
HETATM 2114 C C30   . LIG_M  M  13 .   ? 0.684   -8.424  2.150   1.00 1.73  1   M  1 
HETATM 2115 C C31   . LIG_M  M  13 .   ? -0.142  -8.204  2.838   1.00 1.59  1   M  1 
HETATM 2116 C C32   . LIG_M  M  13 .   ? -0.921  -7.914  3.502   1.00 1.73  1   M  1 
HETATM 2117 C C33   . LIG_M  M  13 .   ? -1.721  -7.627  4.167   1.00 1.67  1   M  1 
HETATM 2118 C C34   . LIG_M  M  13 .   ? -2.521  -7.306  4.819   1.00 1.60  1   M  1 
HETATM 2119 C C35   . LIG_M  M  13 .   ? -3.314  -6.965  5.459   1.00 1.58  1   M  1 
HETATM 2120 C C36   . LIG_M  M  13 .   ? -4.115  -6.599  6.098   1.00 1.65  1   M  1 
HETATM 2121 C C37   . LIG_M  M  13 .   ? -4.924  -6.211  6.723   1.00 1.67  1   M  1 
HETATM 2122 C C38   . LIG_M  M  13 .   ? -5.734  -5.803  7.341   1.00 1.50  1   M  1 
HETATM 2123 C C39   . LIG_M  M  13 .   ? -6.548  -5.364  7.964   1.00 1.56  1   M  1 
HETATM 2124 C C40   . LIG_M  M  13 .   ? -7.311  -4.925  8.616   1.00 1.76  1   M  1 
HETATM 2125 C C41   . LIG_M  M  13 .   ? -8.051  -4.480  9.287   1.00 1.51  1   M  1 
HETATM 2126 C C42   . LIG_M  M  13 .   ? -8.768  -4.048  9.886   1.00 1.43  1   M  1 
HETATM 2127 C C43   . LIG_M  M  13 .   ? -9.502  -3.575  10.421  1.00 1.34  1   M  1 
HETATM 2128 C C44   . LIG_M  M  13 .   ? -10.359 -2.989  10.883  1.00 1.40  1   M  1 
HETATM 2129 C C1    . LIG_N  N  14 .   ? -17.875 -3.417  8.653   1.00 1.72  1   N  1 
HETATM 2130 C C2    . LIG_N  N  14 .   ? -17.314 -4.170  8.664   1.00 1.72  1   N  1 
HETATM 2131 C C3    . LIG_N  N  14 .   ? -16.430 -4.714  8.372   1.00 1.72  1   N  1 
HETATM 2132 C C4    . LIG_N  N  14 .   ? -15.556 -5.161  8.003   1.00 1.85  1   N  1 
HETATM 2133 C C5    . LIG_N  N  14 .   ? -14.674 -5.526  7.511   1.00 1.72  1   N  1 
HETATM 2134 C C6    . LIG_N  N  14 .   ? -13.781 -5.827  6.962   1.00 1.58  1   N  1 
HETATM 2135 C C7    . LIG_N  N  14 .   ? -12.905 -6.088  6.393   1.00 1.54  1   N  1 
HETATM 2136 C C8    . LIG_N  N  14 .   ? -12.023 -6.308  5.805   1.00 1.53  1   N  1 
HETATM 2137 C C9    . LIG_N  N  14 .   ? -11.143 -6.489  5.226   1.00 1.62  1   N  1 
HETATM 2138 C C10   . LIG_N  N  14 .   ? -10.224 -6.678  4.613   1.00 1.73  1   N  1 
HETATM 2139 C C11   . LIG_N  N  14 .   ? -9.309  -6.862  4.052   1.00 1.69  1   N  1 
HETATM 2140 C C12   . LIG_N  N  14 .   ? -8.382  -7.075  3.472   1.00 1.78  1   N  1 
HETATM 2141 C C13   . LIG_N  N  14 .   ? -7.464  -7.364  2.942   1.00 1.45  1   N  1 
HETATM 2142 C C14   . LIG_N  N  14 .   ? -6.599  -7.625  2.299   1.00 1.45  1   N  1 
HETATM 2143 C C15   . LIG_N  N  14 .   ? -5.739  -8.027  1.737   1.00 1.43  1   N  1 
HETATM 2144 C C16   . LIG_N  N  14 .   ? -5.020  -8.291  0.916   1.00 1.43  1   N  1 
HETATM 2145 C C17   . LIG_N  N  14 .   ? -4.223  -8.679  0.266   1.00 1.30  1   N  1 
HETATM 2146 C C18   . LIG_N  N  14 .   ? -3.839  -8.594  -0.965  1.00 1.39  1   N  1 
HETATM 2147 O O1    . LIG_N  N  14 .   ? -2.731  -8.356  -1.258  1.00 1.84  1   N  1 
HETATM 2148 O O2    . LIG_N  N  14 .   ? -4.783  -8.709  -1.753  1.00 1.73  1   N  1 
HETATM 2149 C C19   . LIG_N  N  14 .   ? -4.547  -8.457  -3.035  1.00 1.32  1   N  1 
HETATM 2150 C C20   . LIG_N  N  14 .   ? -5.759  -8.090  -3.778  1.00 1.46  1   N  1 
HETATM 2151 C C21   . LIG_N  N  14 .   ? -5.440  -7.897  -5.202  1.00 1.40  1   N  1 
HETATM 2152 O O3    . LIG_N  N  14 .   ? -4.624  -8.852  -5.590  1.00 1.48  1   N  1 
HETATM 2153 P P1    . LIG_N  N  14 .   ? -4.099  -8.907  -7.042  1.00 1.51  1   N  1 
HETATM 2154 O O4    . LIG_N  N  14 .   ? -3.555  -10.204 -7.226  1.00 1.34  1   N  1 
HETATM 2155 O O5    . LIG_N  N  14 .   ? -5.054  -8.447  -7.949  1.00 1.49  1   N  1 
HETATM 2156 O O6    . LIG_N  N  14 .   ? -2.998  -7.833  -6.912  1.00 1.49  1   N  1 
HETATM 2157 C C22   . LIG_N  N  14 .   ? -1.754  -8.001  -7.069  1.00 1.75  1   N  1 
HETATM 2158 C C23   . LIG_N  N  14 .   ? -1.136  -8.701  -5.998  1.00 1.81  1   N  1 
HETATM 2159 N N1    . LIG_N  N  14 .   ? 0.028   -8.181  -5.455  1.00 2.88  1   N  1 
HETATM 2160 C C24   . LIG_N  N  14 .   ? 0.612   -9.178  -4.644  1.00 2.35  1   N  1 
HETATM 2161 C C25   . LIG_N  N  14 .   ? 0.921   -7.797  -6.466  1.00 2.42  1   N  1 
HETATM 2162 C C26   . LIG_N  N  14 .   ? -0.292  -7.063  -4.668  1.00 2.55  1   N  1 
HETATM 2163 O O7    . LIG_N  N  14 .   ? -6.213  -6.871  -3.316  1.00 1.62  1   N  1 
HETATM 2164 C C27   . LIG_N  N  14 .   ? -7.259  -6.901  -2.631  1.00 1.68  1   N  1 
HETATM 2165 O O8    . LIG_N  N  14 .   ? -7.830  -7.933  -2.397  1.00 1.51  1   N  1 
HETATM 2166 C C28   . LIG_N  N  14 .   ? -7.662  -5.760  -2.149  1.00 1.45  1   N  1 
HETATM 2167 C C29   . LIG_N  N  14 .   ? -8.393  -5.463  -1.312  1.00 1.52  1   N  1 
HETATM 2168 C C30   . LIG_N  N  14 .   ? -9.005  -4.886  -0.587  1.00 1.55  1   N  1 
HETATM 2169 C C31   . LIG_N  N  14 .   ? -9.694  -4.480  0.197   1.00 1.48  1   N  1 
HETATM 2170 C C32   . LIG_N  N  14 .   ? -10.360 -4.020  0.944   1.00 1.61  1   N  1 
HETATM 2171 C C33   . LIG_N  N  14 .   ? -11.068 -3.637  1.722   1.00 1.56  1   N  1 
HETATM 2172 C C34   . LIG_N  N  14 .   ? -11.797 -3.239  2.476   1.00 1.54  1   N  1 
HETATM 2173 C C35   . LIG_N  N  14 .   ? -12.533 -2.879  3.225   1.00 1.52  1   N  1 
HETATM 2174 C C36   . LIG_N  N  14 .   ? -13.296 -2.541  3.963   1.00 1.58  1   N  1 
HETATM 2175 C C37   . LIG_N  N  14 .   ? -14.083 -2.256  4.682   1.00 1.58  1   N  1 
HETATM 2176 C C38   . LIG_N  N  14 .   ? -14.904 -2.030  5.385   1.00 1.46  1   N  1 
HETATM 2177 C C39   . LIG_N  N  14 .   ? -15.748 -1.881  6.088   1.00 1.57  1   N  1 
HETATM 2178 C C40   . LIG_N  N  14 .   ? -16.598 -1.804  6.790   1.00 1.61  1   N  1 
HETATM 2179 C C41   . LIG_N  N  14 .   ? -17.469 -1.790  7.480   1.00 1.38  1   N  1 
HETATM 2180 C C42   . LIG_N  N  14 .   ? -18.310 -1.810  8.130   1.00 1.38  1   N  1 
HETATM 2181 C C43   . LIG_N  N  14 .   ? -19.166 -1.756  8.769   1.00 1.32  1   N  1 
HETATM 2182 C C44   . LIG_N  N  14 .   ? -20.128 -1.629  9.389   1.00 1.37  1   N  1 
HETATM 2183 C C1    . LIG_O  O  15 .   ? -6.384  4.712   18.845  1.00 1.92  1   O  1 
HETATM 2184 C C2    . LIG_O  O  15 .   ? -7.233  4.254   18.585  1.00 1.81  1   O  1 
HETATM 2185 C C3    . LIG_O  O  15 .   ? -7.340  3.602   17.741  1.00 1.73  1   O  1 
HETATM 2186 C C4    . LIG_O  O  15 .   ? -6.699  3.173   16.982  1.00 1.90  1   O  1 
HETATM 2187 C C5    . LIG_O  O  15 .   ? -5.858  2.910   16.393  1.00 1.83  1   O  1 
HETATM 2188 C C6    . LIG_O  O  15 .   ? -4.895  2.795   15.907  1.00 1.82  1   O  1 
HETATM 2189 C C7    . LIG_O  O  15 .   ? -3.947  2.768   15.429  1.00 1.68  1   O  1 
HETATM 2190 C C8    . LIG_O  O  15 .   ? -2.987  2.822   14.937  1.00 1.80  1   O  1 
HETATM 2191 C C9    . LIG_O  O  15 .   ? -2.058  2.897   14.437  1.00 1.95  1   O  1 
HETATM 2192 C C10   . LIG_O  O  15 .   ? -1.091  3.020   13.929  1.00 2.19  1   O  1 
HETATM 2193 C C11   . LIG_O  O  15 .   ? -0.187  3.224   13.378  1.00 2.12  1   O  1 
HETATM 2194 C C12   . LIG_O  O  15 .   ? 0.707   3.469   12.773  1.00 2.35  1   O  1 
HETATM 2195 C C13   . LIG_O  O  15 .   ? 1.546   3.775   12.162  1.00 1.88  1   O  1 
HETATM 2196 C C14   . LIG_O  O  15 .   ? 2.405   4.123   11.546  1.00 1.96  1   O  1 
HETATM 2197 C C15   . LIG_O  O  15 .   ? 3.230   4.444   10.971  1.00 2.14  1   O  1 
HETATM 2198 C C16   . LIG_O  O  15 .   ? 4.142   4.831   10.423  1.00 2.37  1   O  1 
HETATM 2199 C C17   . LIG_O  O  15 .   ? 4.885   5.158   9.866   1.00 2.10  1   O  1 
HETATM 2200 C C18   . LIG_O  O  15 .   ? 5.956   5.651   9.406   1.00 2.56  1   O  1 
HETATM 2201 O O1    . LIG_O  O  15 .   ? 6.894   5.785   10.076  1.00 3.06  1   O  1 
HETATM 2202 O O2    . LIG_O  O  15 .   ? 5.845   5.949   8.250   1.00 3.16  1   O  1 
HETATM 2203 C C19   . LIG_O  O  15 .   ? 6.898   6.519   7.663   1.00 2.65  1   O  1 
HETATM 2204 C C20   . LIG_O  O  15 .   ? 6.474   7.032   6.378   1.00 3.43  1   O  1 
HETATM 2205 C C21   . LIG_O  O  15 .   ? 7.512   7.651   5.588   1.00 3.34  1   O  1 
HETATM 2206 O O3    . LIG_O  O  15 .   ? 8.647   7.160   5.688   1.00 3.31  1   O  1 
HETATM 2207 P P1    . LIG_O  O  15 .   ? 9.772   7.796   4.854   1.00 4.64  1   O  1 
HETATM 2208 O O4    . LIG_O  O  15 .   ? 10.880  7.957   5.710   1.00 3.47  1   O  1 
HETATM 2209 O O5    . LIG_O  O  15 .   ? 9.309   8.862   4.083   1.00 4.58  1   O  1 
HETATM 2210 O O6    . LIG_O  O  15 .   ? 9.979   6.654   3.882   1.00 3.65  1   O  1 
HETATM 2211 C C22   . LIG_O  O  15 .   ? 10.826  5.773   3.993   1.00 4.38  1   O  1 
HETATM 2212 C C23   . LIG_O  O  15 .   ? 10.194  4.594   3.755   1.00 4.68  1   O  1 
HETATM 2213 N N1    . LIG_O  O  15 .   ? 10.841  3.468   4.162   1.00 6.03  1   O  1 
HETATM 2214 C C24   . LIG_O  O  15 .   ? 11.226  3.638   5.516   1.00 5.69  1   O  1 
HETATM 2215 C C25   . LIG_O  O  15 .   ? 9.927   2.431   4.004   1.00 5.54  1   O  1 
HETATM 2216 C C26   . LIG_O  O  15 .   ? 11.977  3.287   3.349   1.00 6.59  1   O  1 
HETATM 2217 O O7    . LIG_O  O  15 .   ? 5.638   8.086   6.589   1.00 3.03  1   O  1 
HETATM 2218 C C27   . LIG_O  O  15 .   ? 4.539   8.010   6.027   1.00 3.99  1   O  1 
HETATM 2219 O O8    . LIG_O  O  15 .   ? 4.185   7.031   5.439   1.00 2.57  1   O  1 
HETATM 2220 C C28   . LIG_O  O  15 .   ? 3.794   9.045   6.208   1.00 3.19  1   O  1 
HETATM 2221 C C29   . LIG_O  O  15 .   ? 2.854   9.119   6.832   1.00 3.09  1   O  1 
HETATM 2222 C C30   . LIG_O  O  15 .   ? 2.182   8.777   7.613   1.00 3.29  1   O  1 
HETATM 2223 C C31   . LIG_O  O  15 .   ? 1.459   8.569   8.391   1.00 2.80  1   O  1 
HETATM 2224 C C32   . LIG_O  O  15 .   ? 0.854   8.253   9.225   1.00 2.74  1   O  1 
HETATM 2225 C C33   . LIG_O  O  15 .   ? 0.235   7.997   10.064  1.00 2.30  1   O  1 
HETATM 2226 C C34   . LIG_O  O  15 .   ? -0.384  7.728   10.922  1.00 2.09  1   O  1 
HETATM 2227 C C35   . LIG_O  O  15 .   ? -1.024  7.504   11.780  1.00 1.98  1   O  1 
HETATM 2228 C C36   . LIG_O  O  15 .   ? -1.675  7.315   12.651  1.00 2.05  1   O  1 
HETATM 2229 C C37   . LIG_O  O  15 .   ? -2.308  7.136   13.539  1.00 1.99  1   O  1 
HETATM 2230 C C38   . LIG_O  O  15 .   ? -2.920  6.967   14.459  1.00 1.74  1   O  1 
HETATM 2231 C C39   . LIG_O  O  15 .   ? -3.522  6.800   15.399  1.00 1.74  1   O  1 
HETATM 2232 C C40   . LIG_O  O  15 .   ? -4.067  6.595   16.329  1.00 1.94  1   O  1 
HETATM 2233 C C41   . LIG_O  O  15 .   ? -4.546  6.361   17.272  1.00 1.60  1   O  1 
HETATM 2234 C C42   . LIG_O  O  15 .   ? -4.929  6.022   18.140  1.00 1.47  1   O  1 
HETATM 2235 C C43   . LIG_O  O  15 .   ? -5.179  5.578   18.993  1.00 1.40  1   O  1 
HETATM 2236 C C44   . LIG_O  O  15 .   ? -5.248  4.900   19.852  1.00 1.41  1   O  1 
HETATM 2237 C C1    . LIG_P  P  16 .   ? -17.727 -11.548 11.778  1.00 1.81  1   P  1 
HETATM 2238 C C2    . LIG_P  P  16 .   ? -17.753 -12.139 10.822  1.00 1.83  1   P  1 
HETATM 2239 C C3    . LIG_P  P  16 .   ? -18.582 -12.545 10.263  1.00 1.80  1   P  1 
HETATM 2240 C C4    . LIG_P  P  16 .   ? -19.635 -12.484 10.373  1.00 2.02  1   P  1 
HETATM 2241 C C5    . LIG_P  P  16 .   ? -20.539 -12.227 10.844  1.00 1.85  1   P  1 
HETATM 2242 C C6    . LIG_P  P  16 .   ? -21.309 -11.885 11.509  1.00 1.76  1   P  1 
HETATM 2243 C C7    . LIG_P  P  16 .   ? -21.955 -11.571 12.274  1.00 1.67  1   P  1 
HETATM 2244 C C8    . LIG_P  P  16 .   ? -22.508 -11.324 13.140  1.00 1.69  1   P  1 
HETATM 2245 C C9    . LIG_P  P  16 .   ? -23.021 -11.187 14.028  1.00 1.69  1   P  1 
HETATM 2246 C C10   . LIG_P  P  16 .   ? -23.578 -11.123 14.954  1.00 1.76  1   P  1 
HETATM 2247 C C11   . LIG_P  P  16 .   ? -24.155 -11.098 15.851  1.00 1.67  1   P  1 
HETATM 2248 C C12   . LIG_P  P  16 .   ? -24.749 -11.059 16.753  1.00 1.67  1   P  1 
HETATM 2249 C C13   . LIG_P  P  16 .   ? -25.341 -11.009 17.655  1.00 1.40  1   P  1 
HETATM 2250 C C14   . LIG_P  P  16 .   ? -25.956 -11.018 18.552  1.00 1.35  1   P  1 
HETATM 2251 C C15   . LIG_P  P  16 .   ? -26.522 -11.056 19.472  1.00 1.33  1   P  1 
HETATM 2252 C C16   . LIG_P  P  16 .   ? -27.121 -11.251 20.348  1.00 1.31  1   P  1 
HETATM 2253 C C17   . LIG_P  P  16 .   ? -27.539 -11.461 21.303  1.00 1.23  1   P  1 
HETATM 2254 C C18   . LIG_P  P  16 .   ? -28.332 -12.238 21.886  1.00 1.24  1   P  1 
HETATM 2255 O O1    . LIG_P  P  16 .   ? -29.045 -12.893 21.219  1.00 1.61  1   P  1 
HETATM 2256 O O2    . LIG_P  P  16 .   ? -28.287 -12.248 23.068  1.00 1.53  1   P  1 
HETATM 2257 C C19   . LIG_P  P  16 .   ? -29.132 -13.088 23.591  1.00 1.23  1   P  1 
HETATM 2258 C C20   . LIG_P  P  16 .   ? -28.569 -13.895 24.590  1.00 1.25  1   P  1 
HETATM 2259 C C21   . LIG_P  P  16 .   ? -29.594 -14.715 25.252  1.00 1.28  1   P  1 
HETATM 2260 O O3    . LIG_P  P  16 .   ? -29.720 -15.834 24.544  1.00 1.27  1   P  1 
HETATM 2261 P P1    . LIG_P  P  16 .   ? -29.169 -17.205 24.992  1.00 1.32  1   P  1 
HETATM 2262 O O4    . LIG_P  P  16 .   ? -30.131 -18.173 24.617  1.00 1.22  1   P  1 
HETATM 2263 O O5    . LIG_P  P  16 .   ? -28.730 -17.201 26.320  1.00 1.21  1   P  1 
HETATM 2264 O O6    . LIG_P  P  16 .   ? -27.945 -17.252 24.110  1.00 1.29  1   P  1 
HETATM 2265 C C22   . LIG_P  P  16 .   ? -27.922 -17.676 22.949  1.00 1.34  1   P  1 
HETATM 2266 C C23   . LIG_P  P  16 .   ? -26.941 -17.133 22.164  1.00 1.30  1   P  1 
HETATM 2267 N N1    . LIG_P  P  16 .   ? -27.227 -17.150 20.855  1.00 2.01  1   P  1 
HETATM 2268 C C24   . LIG_P  P  16 .   ? -26.186 -16.535 20.176  1.00 1.40  1   P  1 
HETATM 2269 C C25   . LIG_P  P  16 .   ? -27.404 -18.473 20.412  1.00 1.44  1   P  1 
HETATM 2270 C C26   . LIG_P  P  16 .   ? -28.412 -16.426 20.595  1.00 1.52  1   P  1 
HETATM 2271 O O7    . LIG_P  P  16 .   ? -27.889 -13.147 25.525  1.00 1.39  1   P  1 
HETATM 2272 C C27   . LIG_P  P  16 .   ? -27.080 -13.763 26.227  1.00 1.39  1   P  1 
HETATM 2273 O O8    . LIG_P  P  16 .   ? -27.399 -14.509 27.073  1.00 1.35  1   P  1 
HETATM 2274 C C28   . LIG_P  P  16 .   ? -25.871 -13.536 25.948  1.00 1.31  1   P  1 
HETATM 2275 C C29   . LIG_P  P  16 .   ? -25.153 -13.714 25.151  1.00 1.42  1   P  1 
HETATM 2276 C C30   . LIG_P  P  16 .   ? -24.448 -13.811 24.351  1.00 1.36  1   P  1 
HETATM 2277 C C31   . LIG_P  P  16 .   ? -23.833 -13.899 23.458  1.00 1.37  1   P  1 
HETATM 2278 C C32   . LIG_P  P  16 .   ? -23.236 -13.891 22.588  1.00 1.51  1   P  1 
HETATM 2279 C C33   . LIG_P  P  16 .   ? -22.694 -13.827 21.672  1.00 1.49  1   P  1 
HETATM 2280 C C34   . LIG_P  P  16 .   ? -22.173 -13.671 20.744  1.00 1.48  1   P  1 
HETATM 2281 C C35   . LIG_P  P  16 .   ? -21.654 -13.439 19.828  1.00 1.52  1   P  1 
HETATM 2282 C C36   . LIG_P  P  16 .   ? -21.131 -13.133 18.918  1.00 1.57  1   P  1 
HETATM 2283 C C37   . LIG_P  P  16 .   ? -20.591 -12.800 18.020  1.00 1.58  1   P  1 
HETATM 2284 C C38   . LIG_P  P  16 .   ? -20.034 -12.436 17.135  1.00 1.50  1   P  1 
HETATM 2285 C C39   . LIG_P  P  16 .   ? -19.461 -12.050 16.260  1.00 1.59  1   P  1 
HETATM 2286 C C40   . LIG_P  P  16 .   ? -18.877 -11.663 15.421  1.00 1.73  1   P  1 
HETATM 2287 C C41   . LIG_P  P  16 .   ? -18.286 -11.249 14.585  1.00 1.51  1   P  1 
HETATM 2288 C C42   . LIG_P  P  16 .   ? -17.724 -10.777 13.854  1.00 1.44  1   P  1 
HETATM 2289 C C43   . LIG_P  P  16 .   ? -17.139 -10.202 13.224  1.00 1.37  1   P  1 
HETATM 2290 C C44   . LIG_P  P  16 .   ? -16.525 -9.380  12.752  1.00 1.39  1   P  1 
HETATM 2291 C C1    . LIG_Q  Q  17 .   ? -10.058 -13.637 18.470  1.00 1.74  1   Q  1 
HETATM 2292 C C2    . LIG_Q  Q  17 .   ? -9.568  -13.042 19.178  1.00 1.78  1   Q  1 
HETATM 2293 C C3    . LIG_Q  Q  17 .   ? -8.518  -12.832 19.227  1.00 1.78  1   Q  1 
HETATM 2294 C C4    . LIG_Q  Q  17 .   ? -7.585  -12.964 18.736  1.00 1.94  1   Q  1 
HETATM 2295 C C5    . LIG_Q  Q  17 .   ? -6.725  -13.149 18.108  1.00 1.76  1   Q  1 
HETATM 2296 C C6    . LIG_Q  Q  17 .   ? -6.013  -13.394 17.304  1.00 1.61  1   Q  1 
HETATM 2297 C C7    . LIG_Q  Q  17 .   ? -5.402  -13.624 16.448  1.00 1.52  1   Q  1 
HETATM 2298 C C8    . LIG_Q  Q  17 .   ? -4.836  -13.890 15.547  1.00 1.49  1   Q  1 
HETATM 2299 C C9    . LIG_Q  Q  17 .   ? -4.294  -14.154 14.654  1.00 1.56  1   Q  1 
HETATM 2300 C C10   . LIG_Q  Q  17 .   ? -3.722  -14.442 13.720  1.00 1.73  1   Q  1 
HETATM 2301 C C11   . LIG_Q  Q  17 .   ? -3.140  -14.754 12.843  1.00 1.60  1   Q  1 
HETATM 2302 C C12   . LIG_Q  Q  17 .   ? -2.512  -15.093 11.970  1.00 1.69  1   Q  1 
HETATM 2303 C C13   . LIG_Q  Q  17 .   ? -1.869  -15.467 11.143  1.00 1.38  1   Q  1 
HETATM 2304 C C14   . LIG_Q  Q  17 .   ? -1.177  -15.844 10.322  1.00 1.37  1   Q  1 
HETATM 2305 C C15   . LIG_Q  Q  17 .   ? -0.496  -16.252 9.564   1.00 1.34  1   Q  1 
HETATM 2306 C C16   . LIG_Q  Q  17 .   ? 0.273   -16.650 8.794   1.00 1.33  1   Q  1 
HETATM 2307 C C17   . LIG_Q  Q  17 .   ? 0.888   -17.054 8.059   1.00 1.25  1   Q  1 
HETATM 2308 C C18   . LIG_Q  Q  17 .   ? 1.805   -17.379 7.227   1.00 1.28  1   Q  1 
HETATM 2309 O O1    . LIG_Q  Q  17 .   ? 2.928   -17.107 7.410   1.00 1.73  1   Q  1 
HETATM 2310 O O2    . LIG_Q  Q  17 .   ? 1.377   -17.954 6.249   1.00 1.62  1   Q  1 
HETATM 2311 C C19   . LIG_Q  Q  17 .   ? 2.233   -18.205 5.290   1.00 1.23  1   Q  1 
HETATM 2312 C C20   . LIG_Q  Q  17 .   ? 1.729   -19.150 4.339   1.00 1.29  1   Q  1 
HETATM 2313 C C21   . LIG_Q  Q  17 .   ? 2.437   -19.009 3.056   1.00 1.28  1   Q  1 
HETATM 2314 O O3    . LIG_Q  Q  17 .   ? 3.577   -19.659 3.152   1.00 1.36  1   Q  1 
HETATM 2315 P P1    . LIG_Q  Q  17 .   ? 4.324   -20.236 1.910   1.00 1.37  1   Q  1 
HETATM 2316 O O4    . LIG_Q  Q  17 .   ? 4.868   -19.162 1.170   1.00 1.42  1   Q  1 
HETATM 2317 O O5    . LIG_Q  Q  17 .   ? 3.543   -21.199 1.259   1.00 1.53  1   Q  1 
HETATM 2318 O O6    . LIG_Q  Q  17 .   ? 5.430   -20.949 2.691   1.00 1.35  1   Q  1 
HETATM 2319 C C22   . LIG_Q  Q  17 .   ? 6.410   -20.383 3.240   1.00 1.38  1   Q  1 
HETATM 2320 C C23   . LIG_Q  Q  17 .   ? 7.256   -21.272 3.884   1.00 1.41  1   Q  1 
HETATM 2321 N N1    . LIG_Q  Q  17 .   ? 6.837   -21.806 5.072   1.00 2.19  1   Q  1 
HETATM 2322 C C24   . LIG_Q  Q  17 .   ? 7.919   -22.319 5.749   1.00 1.50  1   Q  1 
HETATM 2323 C C25   . LIG_Q  Q  17 .   ? 6.228   -20.787 5.835   1.00 1.56  1   Q  1 
HETATM 2324 C C26   . LIG_Q  Q  17 .   ? 5.927   -22.855 4.836   1.00 1.59  1   Q  1 
HETATM 2325 O O7    . LIG_Q  Q  17 .   ? 0.382   -18.934 4.113   1.00 1.43  1   Q  1 
HETATM 2326 C C27   . LIG_Q  Q  17 .   ? -0.363  -19.970 4.191   1.00 1.40  1   Q  1 
HETATM 2327 O O8    . LIG_Q  Q  17 .   ? 0.080   -21.063 4.076   1.00 1.36  1   Q  1 
HETATM 2328 C C28   . LIG_Q  Q  17 .   ? -1.600  -19.748 4.478   1.00 1.32  1   Q  1 
HETATM 2329 C C29   . LIG_Q  Q  17 .   ? -2.333  -19.796 5.299   1.00 1.38  1   Q  1 
HETATM 2330 C C30   . LIG_Q  Q  17 .   ? -3.173  -19.698 6.028   1.00 1.42  1   Q  1 
HETATM 2331 C C31   . LIG_Q  Q  17 .   ? -3.858  -19.543 6.882   1.00 1.40  1   Q  1 
HETATM 2332 C C32   . LIG_Q  Q  17 .   ? -4.524  -19.338 7.735   1.00 1.59  1   Q  1 
HETATM 2333 C C33   . LIG_Q  Q  17 .   ? -5.111  -19.090 8.645   1.00 1.49  1   Q  1 
HETATM 2334 C C34   . LIG_Q  Q  17 .   ? -5.690  -18.776 9.555   1.00 1.47  1   Q  1 
HETATM 2335 C C35   . LIG_Q  Q  17 .   ? -6.241  -18.431 10.474  1.00 1.50  1   Q  1 
HETATM 2336 C C36   . LIG_Q  Q  17 .   ? -6.800  -18.038 11.381  1.00 1.52  1   Q  1 
HETATM 2337 C C37   . LIG_Q  Q  17 .   ? -7.371  -17.622 12.275  1.00 1.59  1   Q  1 
HETATM 2338 C C38   . LIG_Q  Q  17 .   ? -7.944  -17.181 13.168  1.00 1.48  1   Q  1 
HETATM 2339 C C39   . LIG_Q  Q  17 .   ? -8.533  -16.711 14.068  1.00 1.53  1   Q  1 
HETATM 2340 C C40   . LIG_Q  Q  17 .   ? -9.128  -16.231 14.944  1.00 1.73  1   Q  1 
HETATM 2341 C C41   . LIG_Q  Q  17 .   ? -9.733  -15.739 15.781  1.00 1.44  1   Q  1 
HETATM 2342 C C42   . LIG_Q  Q  17 .   ? -10.345 -15.292 16.559  1.00 1.41  1   Q  1 
HETATM 2343 C C43   . LIG_Q  Q  17 .   ? -11.001 -14.859 17.299  1.00 1.34  1   Q  1 
HETATM 2344 C C44   . LIG_Q  Q  17 .   ? -11.887 -14.484 18.038  1.00 1.41  1   Q  1 
HETATM 2345 C C1    . LIG_R  R  18 .   ? -5.481  -8.870  16.978  1.00 1.76  1   R  1 
HETATM 2346 C C2    . LIG_R  R  18 .   ? -4.773  -9.046  17.790  1.00 1.81  1   R  1 
HETATM 2347 C C3    . LIG_R  R  18 .   ? -3.752  -9.365  17.660  1.00 1.74  1   R  1 
HETATM 2348 C C4    . LIG_R  R  18 .   ? -3.020  -9.579  16.900  1.00 1.91  1   R  1 
HETATM 2349 C C5    . LIG_R  R  18 .   ? -2.365  -9.741  16.061  1.00 1.79  1   R  1 
HETATM 2350 C C6    . LIG_R  R  18 .   ? -1.788  -9.908  15.158  1.00 1.64  1   R  1 
HETATM 2351 C C7    . LIG_R  R  18 .   ? -1.241  -10.123 14.278  1.00 1.56  1   R  1 
HETATM 2352 C C8    . LIG_R  R  18 .   ? -0.714  -10.382 13.367  1.00 1.53  1   R  1 
HETATM 2353 C C9    . LIG_R  R  18 .   ? -0.179  -10.707 12.506  1.00 1.61  1   R  1 
HETATM 2354 C C10   . LIG_R  R  18 .   ? 0.329   -11.097 11.587  1.00 1.75  1   R  1 
HETATM 2355 C C11   . LIG_R  R  18 .   ? 0.784   -11.523 10.687  1.00 1.64  1   R  1 
HETATM 2356 C C12   . LIG_R  R  18 .   ? 1.194   -11.943 9.721   1.00 1.75  1   R  1 
HETATM 2357 C C13   . LIG_R  R  18 .   ? 1.554   -12.365 8.765   1.00 1.41  1   R  1 
HETATM 2358 C C14   . LIG_R  R  18 .   ? 1.881   -12.742 7.744   1.00 1.41  1   R  1 
HETATM 2359 C C15   . LIG_R  R  18 .   ? 2.228   -13.107 6.788   1.00 1.42  1   R  1 
HETATM 2360 C C16   . LIG_R  R  18 .   ? 2.561   -13.421 5.720   1.00 1.43  1   R  1 
HETATM 2361 C C17   . LIG_R  R  18 .   ? 2.977   -13.762 4.838   1.00 1.32  1   R  1 
HETATM 2362 C C18   . LIG_R  R  18 .   ? 3.326   -14.014 3.630   1.00 1.40  1   R  1 
HETATM 2363 O O1    . LIG_R  R  18 .   ? 4.448   -14.213 3.370   1.00 1.85  1   R  1 
HETATM 2364 O O2    . LIG_R  R  18 .   ? 2.393   -13.989 2.827   1.00 1.81  1   R  1 
HETATM 2365 C C19   . LIG_R  R  18 .   ? 2.687   -14.185 1.547   1.00 1.31  1   R  1 
HETATM 2366 C C20   . LIG_R  R  18 .   ? 1.487   -14.422 0.748   1.00 1.41  1   R  1 
HETATM 2367 C C21   . LIG_R  R  18 .   ? 1.796   -14.741 -0.662  1.00 1.40  1   R  1 
HETATM 2368 O O3    . LIG_R  R  18 .   ? 2.884   -14.109 -1.081  1.00 1.66  1   R  1 
HETATM 2369 P P1    . LIG_R  R  18 .   ? 3.527   -14.426 -2.461  1.00 1.63  1   R  1 
HETATM 2370 O O4    . LIG_R  R  18 .   ? 3.420   -15.815 -2.738  1.00 1.61  1   R  1 
HETATM 2371 O O5    . LIG_R  R  18 .   ? 4.780   -13.805 -2.512  1.00 2.04  1   R  1 
HETATM 2372 O O6    . LIG_R  R  18 .   ? 2.550   -13.632 -3.384  1.00 1.62  1   R  1 
HETATM 2373 C C22   . LIG_R  R  18 .   ? 2.040   -14.067 -4.445  1.00 1.66  1   R  1 
HETATM 2374 C C23   . LIG_R  R  18 .   ? 1.289   -13.136 -5.099  1.00 1.72  1   R  1 
HETATM 2375 N N1    . LIG_R  R  18 .   ? 1.005   -13.353 -6.410  1.00 2.63  1   R  1 
HETATM 2376 C C24   . LIG_R  R  18 .   ? 2.211   -13.540 -7.141  1.00 2.20  1   R  1 
HETATM 2377 C C25   . LIG_R  R  18 .   ? 0.349   -12.220 -6.884  1.00 2.07  1   R  1 
HETATM 2378 C C26   . LIG_R  R  18 .   ? 0.153   -14.450 -6.565  1.00 2.16  1   R  1 
HETATM 2379 O O7    . LIG_R  R  18 .   ? 0.714   -13.283 0.750   1.00 1.61  1   R  1 
HETATM 2380 C C27   . LIG_R  R  18 .   ? -0.350  -13.401 1.394   1.00 1.64  1   R  1 
HETATM 2381 O O8    . LIG_R  R  18 .   ? -0.583  -14.414 2.007   1.00 1.49  1   R  1 
HETATM 2382 C C28   . LIG_R  R  18 .   ? -1.141  -12.374 1.427   1.00 1.44  1   R  1 
HETATM 2383 C C29   . LIG_R  R  18 .   ? -1.772  -12.035 2.382   1.00 1.52  1   R  1 
HETATM 2384 C C30   . LIG_R  R  18 .   ? -1.867  -12.115 3.507   1.00 1.58  1   R  1 
HETATM 2385 C C31   . LIG_R  R  18 .   ? -2.194  -11.878 4.553   1.00 1.50  1   R  1 
HETATM 2386 C C32   . LIG_R  R  18 .   ? -2.334  -11.728 5.613   1.00 1.64  1   R  1 
HETATM 2387 C C33   . LIG_R  R  18 .   ? -2.609  -11.449 6.642   1.00 1.57  1   R  1 
HETATM 2388 C C34   . LIG_R  R  18 .   ? -2.889  -11.163 7.648   1.00 1.54  1   R  1 
HETATM 2389 C C35   . LIG_R  R  18 .   ? -3.280  -10.807 8.617   1.00 1.55  1   R  1 
HETATM 2390 C C36   . LIG_R  R  18 .   ? -3.721  -10.431 9.555   1.00 1.62  1   R  1 
HETATM 2391 C C37   . LIG_R  R  18 .   ? -4.216  -10.066 10.480  1.00 1.62  1   R  1 
HETATM 2392 C C38   . LIG_R  R  18 .   ? -4.743  -9.725  11.409  1.00 1.49  1   R  1 
HETATM 2393 C C39   . LIG_R  R  18 .   ? -5.274  -9.405  12.349  1.00 1.54  1   R  1 
HETATM 2394 C C40   . LIG_R  R  18 .   ? -5.794  -9.119  13.272  1.00 1.73  1   R  1 
HETATM 2395 C C41   . LIG_R  R  18 .   ? -6.276  -8.868  14.206  1.00 1.42  1   R  1 
HETATM 2396 C C42   . LIG_R  R  18 .   ? -6.688  -8.731  15.135  1.00 1.40  1   R  1 
HETATM 2397 C C43   . LIG_R  R  18 .   ? -6.874  -8.941  16.097  1.00 1.33  1   R  1 
HETATM 2398 C C44   . LIG_R  R  18 .   ? -6.726  -9.817  16.823  1.00 1.39  1   R  1 
HETATM 2399 C C1    . LIG_S  S  19 .   ? -2.040  6.479   28.592  1.00 1.77  1   S  1 
HETATM 2400 C C2    . LIG_S  S  19 .   ? -1.670  5.646   29.070  1.00 1.92  1   S  1 
HETATM 2401 C C3    . LIG_S  S  19 .   ? -0.675  5.135   29.020  1.00 1.91  1   S  1 
HETATM 2402 C C4    . LIG_S  S  19 .   ? 0.359   4.982   28.656  1.00 2.11  1   S  1 
HETATM 2403 C C5    . LIG_S  S  19 .   ? 1.397   4.822   28.248  1.00 1.84  1   S  1 
HETATM 2404 C C6    . LIG_S  S  19 .   ? 2.406   4.780   27.720  1.00 1.74  1   S  1 
HETATM 2405 C C7    . LIG_S  S  19 .   ? 3.381   4.763   27.179  1.00 1.62  1   S  1 
HETATM 2406 C C8    . LIG_S  S  19 .   ? 4.341   4.798   26.602  1.00 1.64  1   S  1 
HETATM 2407 C C9    . LIG_S  S  19 .   ? 5.273   4.841   26.011  1.00 1.73  1   S  1 
HETATM 2408 C C10   . LIG_S  S  19 .   ? 6.240   4.896   25.384  1.00 1.81  1   S  1 
HETATM 2409 C C11   . LIG_S  S  19 .   ? 7.169   4.971   24.766  1.00 1.78  1   S  1 
HETATM 2410 C C12   . LIG_S  S  19 .   ? 8.093   5.071   24.096  1.00 1.89  1   S  1 
HETATM 2411 C C13   . LIG_S  S  19 .   ? 9.017   5.160   23.460  1.00 1.53  1   S  1 
HETATM 2412 C C14   . LIG_S  S  19 .   ? 9.921   5.284   22.766  1.00 1.59  1   S  1 
HETATM 2413 C C15   . LIG_S  S  19 .   ? 10.856  5.330   22.175  1.00 1.56  1   S  1 
HETATM 2414 C C16   . LIG_S  S  19 .   ? 11.779  5.482   21.468  1.00 1.53  1   S  1 
HETATM 2415 C C17   . LIG_S  S  19 .   ? 12.773  5.470   21.041  1.00 1.37  1   S  1 
HETATM 2416 C C18   . LIG_S  S  19 .   ? 13.693  5.763   20.189  1.00 1.49  1   S  1 
HETATM 2417 O O1    . LIG_S  S  19 .   ? 14.829  5.723   20.479  1.00 2.07  1   S  1 
HETATM 2418 O O2    . LIG_S  S  19 .   ? 13.260  6.095   19.090  1.00 2.10  1   S  1 
HETATM 2419 C C19   . LIG_S  S  19 .   ? 14.134  6.510   18.173  1.00 1.53  1   S  1 
HETATM 2420 C C20   . LIG_S  S  19 .   ? 13.586  7.379   17.220  1.00 1.75  1   S  1 
HETATM 2421 C C21   . LIG_S  S  19 .   ? 14.241  7.407   15.932  1.00 1.82  1   S  1 
HETATM 2422 O O3    . LIG_S  S  19 .   ? 15.443  7.870   16.095  1.00 1.69  1   S  1 
HETATM 2423 P P1    . LIG_S  S  19 .   ? 16.240  8.527   14.976  1.00 2.13  1   S  1 
HETATM 2424 O O4    . LIG_S  S  19 .   ? 15.702  8.183   13.706  1.00 1.73  1   S  1 
HETATM 2425 O O5    . LIG_S  S  19 .   ? 16.447  9.879   15.282  1.00 1.86  1   S  1 
HETATM 2426 O O6    . LIG_S  S  19 .   ? 17.555  7.745   15.202  1.00 1.80  1   S  1 
HETATM 2427 C C22   . LIG_S  S  19 .   ? 17.738  6.537   14.851  1.00 2.10  1   S  1 
HETATM 2428 C C23   . LIG_S  S  19 .   ? 18.913  6.040   15.383  1.00 2.02  1   S  1 
HETATM 2429 N N1    . LIG_S  S  19 .   ? 20.107  6.408   14.767  1.00 3.38  1   S  1 
HETATM 2430 C C24   . LIG_S  S  19 .   ? 21.162  5.775   15.440  1.00 2.99  1   S  1 
HETATM 2431 C C25   . LIG_S  S  19 .   ? 20.080  5.995   13.415  1.00 3.27  1   S  1 
HETATM 2432 C C26   . LIG_S  S  19 .   ? 20.321  7.795   14.840  1.00 3.56  1   S  1 
HETATM 2433 O O7    . LIG_S  S  19 .   ? 12.257  7.281   17.058  1.00 1.82  1   S  1 
HETATM 2434 C C27   . LIG_S  S  19 .   ? 11.665  8.307   17.508  1.00 1.82  1   S  1 
HETATM 2435 O O8    . LIG_S  S  19 .   ? 12.251  9.329   17.696  1.00 1.71  1   S  1 
HETATM 2436 C C28   . LIG_S  S  19 .   ? 10.438  8.141   17.821  1.00 1.66  1   S  1 
HETATM 2437 C C29   . LIG_S  S  19 .   ? 9.738   8.293   18.682  1.00 1.70  1   S  1 
HETATM 2438 C C30   . LIG_S  S  19 .   ? 8.836   8.262   19.350  1.00 1.76  1   S  1 
HETATM 2439 C C31   . LIG_S  S  19 .   ? 8.037   8.293   20.137  1.00 1.65  1   S  1 
HETATM 2440 C C32   . LIG_S  S  19 .   ? 7.182   8.281   20.851  1.00 1.84  1   S  1 
HETATM 2441 C C33   . LIG_S  S  19 .   ? 6.357   8.308   21.627  1.00 1.70  1   S  1 
HETATM 2442 C C34   . LIG_S  S  19 .   ? 5.490   8.339   22.366  1.00 1.70  1   S  1 
HETATM 2443 C C35   . LIG_S  S  19 .   ? 4.606   8.369   23.081  1.00 1.67  1   S  1 
HETATM 2444 C C36   . LIG_S  S  19 .   ? 3.673   8.406   23.729  1.00 1.69  1   S  1 
HETATM 2445 C C37   . LIG_S  S  19 .   ? 2.702   8.440   24.331  1.00 1.69  1   S  1 
HETATM 2446 C C38   . LIG_S  S  19 .   ? 1.698   8.464   24.877  1.00 1.57  1   S  1 
HETATM 2447 C C39   . LIG_S  S  19 .   ? 0.677   8.482   25.410  1.00 1.62  1   S  1 
HETATM 2448 C C40   . LIG_S  S  19 .   ? -0.306  8.480   25.958  1.00 1.80  1   S  1 
HETATM 2449 C C41   . LIG_S  S  19 .   ? -1.259  8.448   26.565  1.00 1.48  1   S  1 
HETATM 2450 C C42   . LIG_S  S  19 .   ? -2.130  8.418   27.188  1.00 1.50  1   S  1 
HETATM 2451 C C43   . LIG_S  S  19 .   ? -3.010  8.456   27.805  1.00 1.40  1   S  1 
HETATM 2452 C C44   . LIG_S  S  19 .   ? -4.006  8.588   28.431  1.00 1.45  1   S  1 
HETATM 2453 C C1    . LIG_T  T  20 .   ? -15.498 18.324  14.969  1.00 1.79  1   T  1 
HETATM 2454 C C2    . LIG_T  T  20 .   ? -16.486 18.289  14.450  1.00 1.83  1   T  1 
HETATM 2455 C C3    . LIG_T  T  20 .   ? -16.802 18.570  13.394  1.00 1.78  1   T  1 
HETATM 2456 C C4    . LIG_T  T  20 .   ? -16.484 18.950  12.391  1.00 1.97  1   T  1 
HETATM 2457 C C5    . LIG_T  T  20 .   ? -16.057 19.333  11.446  1.00 1.79  1   T  1 
HETATM 2458 C C6    . LIG_T  T  20 .   ? -15.461 19.729  10.564  1.00 1.63  1   T  1 
HETATM 2459 C C7    . LIG_T  T  20 .   ? -14.799 20.078  9.762   1.00 1.52  1   T  1 
HETATM 2460 C C8    . LIG_T  T  20 .   ? -14.053 20.423  9.003   1.00 1.55  1   T  1 
HETATM 2461 C C9    . LIG_T  T  20 .   ? -13.282 20.741  8.291   1.00 1.62  1   T  1 
HETATM 2462 C C10   . LIG_T  T  20 .   ? -12.479 21.070  7.548   1.00 1.69  1   T  1 
HETATM 2463 C C11   . LIG_T  T  20 .   ? -11.716 21.381  6.814   1.00 1.64  1   T  1 
HETATM 2464 C C12   . LIG_T  T  20 .   ? -10.933 21.690  6.052   1.00 1.77  1   T  1 
HETATM 2465 C C13   . LIG_T  T  20 .   ? -10.198 21.984  5.281   1.00 1.47  1   T  1 
HETATM 2466 C C14   . LIG_T  T  20 .   ? -9.422  22.262  4.490   1.00 1.50  1   T  1 
HETATM 2467 C C15   . LIG_T  T  20 .   ? -8.713  22.503  3.705   1.00 1.47  1   T  1 
HETATM 2468 C C16   . LIG_T  T  20 .   ? -7.921  22.688  2.875   1.00 1.51  1   T  1 
HETATM 2469 C C17   . LIG_T  T  20 .   ? -7.280  22.843  2.077   1.00 1.35  1   T  1 
HETATM 2470 C C18   . LIG_T  T  20 .   ? -6.337  22.906  1.222   1.00 1.59  1   T  1 
HETATM 2471 O O1    . LIG_T  T  20 .   ? -6.132  22.023  0.483   1.00 2.14  1   T  1 
HETATM 2472 O O2    . LIG_T  T  20 .   ? -5.677  23.932  1.291   1.00 1.88  1   T  1 
HETATM 2473 C C19   . LIG_T  T  20 .   ? -4.618  24.018  0.515   1.00 1.43  1   T  1 
HETATM 2474 C C20   . LIG_T  T  20 .   ? -3.658  24.970  1.014   1.00 1.74  1   T  1 
HETATM 2475 C C21   . LIG_T  T  20 .   ? -2.435  24.940  0.199   1.00 1.93  1   T  1 
HETATM 2476 O O3    . LIG_T  T  20 .   ? -2.680  25.494  -0.979  1.00 2.26  1   T  1 
HETATM 2477 P P1    . LIG_T  T  20 .   ? -1.778  25.209  -2.188  1.00 3.08  1   T  1 
HETATM 2478 O O4    . LIG_T  T  20 .   ? -0.421  25.077  -1.774  1.00 2.90  1   T  1 
HETATM 2479 O O5    . LIG_T  T  20 .   ? -2.121  26.116  -3.217  1.00 2.72  1   T  1 
HETATM 2480 O O6    . LIG_T  T  20 .   ? -2.324  23.818  -2.559  1.00 2.70  1   T  1 
HETATM 2481 C C22   . LIG_T  T  20 .   ? -1.650  22.782  -2.736  1.00 3.30  1   T  1 
HETATM 2482 C C23   . LIG_T  T  20 .   ? -2.437  21.718  -3.099  1.00 4.00  1   T  1 
HETATM 2483 N N1    . LIG_T  T  20 .   ? -1.851  20.504  -3.115  1.00 5.91  1   T  1 
HETATM 2484 C C24   . LIG_T  T  20 .   ? -2.782  19.603  -3.648  1.00 4.46  1   T  1 
HETATM 2485 C C25   . LIG_T  T  20 .   ? -0.688  20.544  -3.928  1.00 4.67  1   T  1 
HETATM 2486 C C26   . LIG_T  T  20 .   ? -1.511  20.130  -1.800  1.00 4.97  1   T  1 
HETATM 2487 O O7    . LIG_T  T  20 .   ? -3.306  24.588  2.298   1.00 1.78  1   T  1 
HETATM 2488 C C27   . LIG_T  T  20 .   ? -3.463  25.454  3.174   1.00 1.65  1   T  1 
HETATM 2489 O O8    . LIG_T  T  20 .   ? -3.509  26.611  2.921   1.00 1.55  1   T  1 
HETATM 2490 C C28   . LIG_T  T  20 .   ? -3.621  24.993  4.368   1.00 1.51  1   T  1 
HETATM 2491 C C29   . LIG_T  T  20 .   ? -4.440  24.693  5.083   1.00 1.57  1   T  1 
HETATM 2492 C C30   . LIG_T  T  20 .   ? -5.063  24.354  5.954   1.00 1.55  1   T  1 
HETATM 2493 C C31   . LIG_T  T  20 .   ? -5.786  24.030  6.759   1.00 1.52  1   T  1 
HETATM 2494 C C32   . LIG_T  T  20 .   ? -6.400  23.689  7.624   1.00 1.61  1   T  1 
HETATM 2495 C C33   . LIG_T  T  20 .   ? -7.040  23.313  8.473   1.00 1.57  1   T  1 
HETATM 2496 C C34   . LIG_T  T  20 .   ? -7.634  22.884  9.330   1.00 1.50  1   T  1 
HETATM 2497 C C35   . LIG_T  T  20 .   ? -8.220  22.410  10.172  1.00 1.50  1   T  1 
HETATM 2498 C C36   . LIG_T  T  20 .   ? -8.807  21.898  10.989  1.00 1.51  1   T  1 
HETATM 2499 C C37   . LIG_T  T  20 .   ? -9.409  21.354  11.806  1.00 1.53  1   T  1 
HETATM 2500 C C38   . LIG_T  T  20 .   ? -10.036 20.809  12.593  1.00 1.44  1   T  1 
HETATM 2501 C C39   . LIG_T  T  20 .   ? -10.705 20.254  13.372  1.00 1.47  1   T  1 
HETATM 2502 C C40   . LIG_T  T  20 .   ? -11.414 19.736  14.113  1.00 1.71  1   T  1 
HETATM 2503 C C41   . LIG_T  T  20 .   ? -12.174 19.253  14.829  1.00 1.47  1   T  1 
HETATM 2504 C C42   . LIG_T  T  20 .   ? -12.882 18.801  15.526  1.00 1.43  1   T  1 
HETATM 2505 C C43   . LIG_T  T  20 .   ? -13.529 18.334  16.263  1.00 1.38  1   T  1 
HETATM 2506 C C44   . LIG_T  T  20 .   ? -14.137 17.782  17.138  1.00 1.37  1   T  1 
HETATM 2507 C C1    . LIG_U  U  21 .   ? -8.237  18.751  20.213  1.00 1.96  1   U  1 
HETATM 2508 C C2    . LIG_U  U  21 .   ? -8.077  19.727  19.978  1.00 2.04  1   U  1 
HETATM 2509 C C3    . LIG_U  U  21 .   ? -7.444  20.242  19.190  1.00 1.94  1   U  1 
HETATM 2510 C C4    . LIG_U  U  21 .   ? -6.839  20.121  18.283  1.00 2.13  1   U  1 
HETATM 2511 C C5    . LIG_U  U  21 .   ? -6.225  19.897  17.401  1.00 1.92  1   U  1 
HETATM 2512 C C6    . LIG_U  U  21 .   ? -5.612  19.474  16.559  1.00 1.74  1   U  1 
HETATM 2513 C C7    . LIG_U  U  21 .   ? -5.046  18.981  15.765  1.00 1.82  1   U  1 
HETATM 2514 C C8    . LIG_U  U  21 .   ? -4.470  18.412  14.991  1.00 1.84  1   U  1 
HETATM 2515 C C9    . LIG_U  U  21 .   ? -3.911  17.810  14.265  1.00 2.03  1   U  1 
HETATM 2516 C C10   . LIG_U  U  21 .   ? -3.324  17.193  13.497  1.00 2.21  1   U  1 
HETATM 2517 C C11   . LIG_U  U  21 .   ? -2.750  16.612  12.750  1.00 2.21  1   U  1 
HETATM 2518 C C12   . LIG_U  U  21 .   ? -2.138  16.020  11.984  1.00 2.52  1   U  1 
HETATM 2519 C C13   . LIG_U  U  21 .   ? -1.528  15.462  11.226  1.00 1.94  1   U  1 
HETATM 2520 C C14   . LIG_U  U  21 .   ? -0.843  14.982  10.458  1.00 2.22  1   U  1 
HETATM 2521 C C15   . LIG_U  U  21 .   ? -0.225  14.475  9.697   1.00 2.37  1   U  1 
HETATM 2522 C C16   . LIG_U  U  21 .   ? 0.528   14.116  8.892   1.00 2.96  1   U  1 
HETATM 2523 C C17   . LIG_U  U  21 .   ? 1.046   13.629  8.059   1.00 2.66  1   U  1 
HETATM 2524 C C18   . LIG_U  U  21 .   ? 2.035   13.680  7.226   1.00 3.07  1   U  1 
HETATM 2525 O O1    . LIG_U  U  21 .   ? 2.132   12.936  6.334   1.00 4.03  1   U  1 
HETATM 2526 O O2    . LIG_U  U  21 .   ? 2.795   14.608  7.444   1.00 3.64  1   U  1 
HETATM 2527 C C19   . LIG_U  U  21 .   ? 3.842   14.770  6.654   1.00 2.91  1   U  1 
HETATM 2528 C C20   . LIG_U  U  21 .   ? 4.867   15.556  7.303   1.00 4.01  1   U  1 
HETATM 2529 C C21   . LIG_U  U  21 .   ? 6.162   15.474  6.623   1.00 3.49  1   U  1 
HETATM 2530 O O3    . LIG_U  U  21 .   ? 6.091   15.911  5.395   1.00 4.23  1   U  1 
HETATM 2531 P P1    . LIG_U  U  21 .   ? 7.280   15.671  4.446   1.00 5.73  1   U  1 
HETATM 2532 O O4    . LIG_U  U  21 .   ? 7.090   16.536  3.330   1.00 4.04  1   U  1 
HETATM 2533 O O5    . LIG_U  U  21 .   ? 8.498   15.663  5.137   1.00 4.72  1   U  1 
HETATM 2534 O O6    . LIG_U  U  21 .   ? 6.953   14.218  4.060   1.00 4.03  1   U  1 
HETATM 2535 C C22   . LIG_U  U  21 .   ? 7.027   13.752  2.865   1.00 4.84  1   U  1 
HETATM 2536 C C23   . LIG_U  U  21 .   ? 5.997   12.877  2.597   1.00 5.02  1   U  1 
HETATM 2537 N N1    . LIG_U  U  21 .   ? 5.828   11.745  3.384   1.00 6.96  1   U  1 
HETATM 2538 C C24   . LIG_U  U  21 .   ? 4.979   10.891  2.717   1.00 6.01  1   U  1 
HETATM 2539 C C25   . LIG_U  U  21 .   ? 5.229   12.101  4.605   1.00 5.70  1   U  1 
HETATM 2540 C C26   . LIG_U  U  21 .   ? 7.068   11.116  3.599   1.00 6.46  1   U  1 
HETATM 2541 O O7    . LIG_U  U  21 .   ? 5.098   15.013  8.554   1.00 3.39  1   U  1 
HETATM 2542 C C27   . LIG_U  U  21 .   ? 4.806   15.766  9.498   1.00 4.16  1   U  1 
HETATM 2543 O O8    . LIG_U  U  21 .   ? 4.634   16.935  9.341   1.00 2.75  1   U  1 
HETATM 2544 C C28   . LIG_U  U  21 .   ? 4.632   15.164  10.633  1.00 3.23  1   U  1 
HETATM 2545 C C29   . LIG_U  U  21 .   ? 3.844   15.255  11.442  1.00 3.06  1   U  1 
HETATM 2546 C C30   . LIG_U  U  21 .   ? 3.191   15.138  12.338  1.00 2.64  1   U  1 
HETATM 2547 C C31   . LIG_U  U  21 .   ? 2.400   15.185  13.131  1.00 2.16  1   U  1 
HETATM 2548 C C32   . LIG_U  U  21 .   ? 1.649   15.205  13.944  1.00 2.45  1   U  1 
HETATM 2549 C C33   . LIG_U  U  21 .   ? 0.840   15.289  14.721  1.00 2.08  1   U  1 
HETATM 2550 C C34   . LIG_U  U  21 .   ? 0.010   15.372  15.486  1.00 2.00  1   U  1 
HETATM 2551 C C35   . LIG_U  U  21 .   ? -0.865  15.488  16.205  1.00 1.94  1   U  1 
HETATM 2552 C C36   . LIG_U  U  21 .   ? -1.768  15.620  16.894  1.00 1.96  1   U  1 
HETATM 2553 C C37   . LIG_U  U  21 .   ? -2.686  15.764  17.571  1.00 1.97  1   U  1 
HETATM 2554 C C38   . LIG_U  U  21 .   ? -3.627  15.942  18.223  1.00 1.72  1   U  1 
HETATM 2555 C C39   . LIG_U  U  21 .   ? -4.597  16.138  18.850  1.00 1.72  1   U  1 
HETATM 2556 C C40   . LIG_U  U  21 .   ? -5.562  16.360  19.428  1.00 2.00  1   U  1 
HETATM 2557 C C41   . LIG_U  U  21 .   ? -6.558  16.590  19.961  1.00 1.60  1   U  1 
HETATM 2558 C C42   . LIG_U  U  21 .   ? -7.518  16.788  20.444  1.00 1.53  1   U  1 
HETATM 2559 C C43   . LIG_U  U  21 .   ? -8.519  16.899  20.917  1.00 1.45  1   U  1 
HETATM 2560 C C44   . LIG_U  U  21 .   ? -9.588  16.962  21.423  1.00 1.47  1   U  1 
HETATM 2561 C C1    . LIG_V  V  22 .   ? -16.776 -21.226 17.066  1.00 1.75  1   V  1 
HETATM 2562 C C2    . LIG_V  V  22 .   ? -15.992 -21.588 16.913  1.00 2.03  1   V  1 
HETATM 2563 C C3    . LIG_V  V  22 .   ? -15.352 -21.903 16.084  1.00 2.07  1   V  1 
HETATM 2564 C C4    . LIG_V  V  22 .   ? -14.887 -22.154 15.153  1.00 2.30  1   V  1 
HETATM 2565 C C5    . LIG_V  V  22 .   ? -14.476 -22.369 14.152  1.00 1.93  1   V  1 
HETATM 2566 C C6    . LIG_V  V  22 .   ? -14.152 -22.554 13.116  1.00 1.74  1   V  1 
HETATM 2567 C C7    . LIG_V  V  22 .   ? -13.881 -22.732 12.076  1.00 1.58  1   V  1 
HETATM 2568 C C8    . LIG_V  V  22 .   ? -13.668 -22.888 11.008  1.00 1.56  1   V  1 
HETATM 2569 C C9    . LIG_V  V  22 .   ? -13.472 -23.035 9.952   1.00 1.58  1   V  1 
HETATM 2570 C C10   . LIG_V  V  22 .   ? -13.274 -23.150 8.843   1.00 1.59  1   V  1 
HETATM 2571 C C11   . LIG_V  V  22 .   ? -13.074 -23.222 7.754   1.00 1.51  1   V  1 
HETATM 2572 C C12   . LIG_V  V  22 .   ? -12.883 -23.282 6.643   1.00 1.53  1   V  1 
HETATM 2573 C C13   . LIG_V  V  22 .   ? -12.699 -23.295 5.544   1.00 1.28  1   V  1 
HETATM 2574 C C14   . LIG_V  V  22 .   ? -12.550 -23.296 4.425   1.00 1.28  1   V  1 
HETATM 2575 C C15   . LIG_V  V  22 .   ? -12.378 -23.324 3.353   1.00 1.27  1   V  1 
HETATM 2576 C C16   . LIG_V  V  22 .   ? -12.250 -23.317 2.205   1.00 1.25  1   V  1 
HETATM 2577 C C17   . LIG_V  V  22 .   ? -11.983 -23.347 1.200   1.00 1.18  1   V  1 
HETATM 2578 C C18   . LIG_V  V  22 .   ? -12.014 -23.272 -0.069  1.00 1.21  1   V  1 
HETATM 2579 O O1    . LIG_V  V  22 .   ? -11.019 -23.160 -0.679  1.00 1.48  1   V  1 
HETATM 2580 O O2    . LIG_V  V  22 .   ? -13.150 -23.273 -0.523  1.00 1.40  1   V  1 
HETATM 2581 C C19   . LIG_V  V  22 .   ? -13.296 -23.032 -1.817  1.00 1.17  1   V  1 
HETATM 2582 C C20   . LIG_V  V  22 .   ? -14.713 -22.962 -2.182  1.00 1.21  1   V  1 
HETATM 2583 C C21   . LIG_V  V  22 .   ? -14.874 -22.529 -3.577  1.00 1.21  1   V  1 
HETATM 2584 O O3    . LIG_V  V  22 .   ? -14.644 -23.552 -4.386  1.00 1.22  1   V  1 
HETATM 2585 P P1    . LIG_V  V  22 .   ? -14.907 -23.443 -5.897  1.00 1.17  1   V  1 
HETATM 2586 O O4    . LIG_V  V  22 .   ? -16.166 -22.867 -6.135  1.00 1.15  1   V  1 
HETATM 2587 O O5    . LIG_V  V  22 .   ? -14.589 -24.657 -6.503  1.00 1.14  1   V  1 
HETATM 2588 O O6    . LIG_V  V  22 .   ? -13.781 -22.385 -6.247  1.00 1.21  1   V  1 
HETATM 2589 C C22   . LIG_V  V  22 .   ? -13.613 -21.850 -7.381  1.00 1.22  1   V  1 
HETATM 2590 C C23   . LIG_V  V  22 .   ? -12.375 -21.203 -7.496  1.00 1.22  1   V  1 
HETATM 2591 N N1    . LIG_V  V  22 .   ? -12.134 -20.116 -6.710  1.00 1.74  1   V  1 
HETATM 2592 C C24   . LIG_V  V  22 .   ? -11.033 -19.448 -7.233  1.00 1.27  1   V  1 
HETATM 2593 C C25   . LIG_V  V  22 .   ? -11.839 -20.530 -5.391  1.00 1.33  1   V  1 
HETATM 2594 C C26   . LIG_V  V  22 .   ? -13.254 -19.262 -6.718  1.00 1.34  1   V  1 
HETATM 2595 O O7    . LIG_V  V  22 .   ? -15.331 -22.015 -1.385  1.00 1.32  1   V  1 
HETATM 2596 C C27   . LIG_V  V  22 .   ? -16.327 -22.433 -0.759  1.00 1.32  1   V  1 
HETATM 2597 O O8    . LIG_V  V  22 .   ? -16.901 -23.415 -1.080  1.00 1.26  1   V  1 
HETATM 2598 C C28   . LIG_V  V  22 .   ? -16.643 -21.754 0.272   1.00 1.25  1   V  1 
HETATM 2599 C C29   . LIG_V  V  22 .   ? -16.681 -21.727 1.364   1.00 1.31  1   V  1 
HETATM 2600 C C30   . LIG_V  V  22 .   ? -16.768 -21.492 2.456   1.00 1.33  1   V  1 
HETATM 2601 C C31   . LIG_V  V  22 .   ? -16.825 -21.329 3.556   1.00 1.32  1   V  1 
HETATM 2602 C C32   . LIG_V  V  22 .   ? -16.930 -21.135 4.647   1.00 1.47  1   V  1 
HETATM 2603 C C33   . LIG_V  V  22 .   ? -17.045 -20.975 5.754   1.00 1.43  1   V  1 
HETATM 2604 C C34   . LIG_V  V  22 .   ? -17.181 -20.800 6.867   1.00 1.41  1   V  1 
HETATM 2605 C C35   . LIG_V  V  22 .   ? -17.332 -20.641 7.980   1.00 1.46  1   V  1 
HETATM 2606 C C36   . LIG_V  V  22 .   ? -17.510 -20.496 9.094   1.00 1.48  1   V  1 
HETATM 2607 C C37   . LIG_V  V  22 .   ? -17.709 -20.385 10.219  1.00 1.53  1   V  1 
HETATM 2608 C C38   . LIG_V  V  22 .   ? -17.904 -20.317 11.341  1.00 1.48  1   V  1 
HETATM 2609 C C39   . LIG_V  V  22 .   ? -18.089 -20.277 12.493  1.00 1.58  1   V  1 
HETATM 2610 C C40   . LIG_V  V  22 .   ? -18.236 -20.293 13.621  1.00 1.80  1   V  1 
HETATM 2611 C C41   . LIG_V  V  22 .   ? -18.364 -20.344 14.756  1.00 1.55  1   V  1 
HETATM 2612 C C42   . LIG_V  V  22 .   ? -18.484 -20.403 15.839  1.00 1.54  1   V  1 
HETATM 2613 C C43   . LIG_V  V  22 .   ? -18.651 -20.436 16.900  1.00 1.41  1   V  1 
HETATM 2614 C C44   . LIG_V  V  22 .   ? -18.919 -20.433 18.059  1.00 1.50  1   V  1 
HETATM 2615 C C1    . LIG_W  W  23 .   ? -18.361 9.350   11.151  1.00 1.75  1   W  1 
HETATM 2616 C C2    . LIG_W  W  23 .   ? -17.858 10.021  11.899  1.00 1.79  1   W  1 
HETATM 2617 C C3    . LIG_W  W  23 .   ? -16.819 10.493  11.862  1.00 1.64  1   W  1 
HETATM 2618 C C4    . LIG_W  W  23 .   ? -15.906 10.607  11.221  1.00 1.84  1   W  1 
HETATM 2619 C C5    . LIG_W  W  23 .   ? -15.089 10.659  10.483  1.00 1.73  1   W  1 
HETATM 2620 C C6    . LIG_W  W  23 .   ? -14.413 10.591  9.582   1.00 1.60  1   W  1 
HETATM 2621 C C7    . LIG_W  W  23 .   ? -13.863 10.455  8.644   1.00 1.56  1   W  1 
HETATM 2622 C C8    . LIG_W  W  23 .   ? -13.394 10.283  7.645   1.00 1.58  1   W  1 
HETATM 2623 C C9    . LIG_W  W  23 .   ? -12.991 10.101  6.643   1.00 1.70  1   W  1 
HETATM 2624 C C10   . LIG_W  W  23 .   ? -12.606 9.940   5.579   1.00 1.88  1   W  1 
HETATM 2625 C C11   . LIG_W  W  23 .   ? -12.277 9.805   4.530   1.00 1.80  1   W  1 
HETATM 2626 C C12   . LIG_W  W  23 .   ? -11.925 9.696   3.459   1.00 1.97  1   W  1 
HETATM 2627 C C13   . LIG_W  W  23 .   ? -11.613 9.607   2.401   1.00 1.53  1   W  1 
HETATM 2628 C C14   . LIG_W  W  23 .   ? -11.265 9.563   1.319   1.00 1.59  1   W  1 
HETATM 2629 C C15   . LIG_W  W  23 .   ? -10.975 9.528   0.259   1.00 1.67  1   W  1 
HETATM 2630 C C16   . LIG_W  W  23 .   ? -10.583 9.599   -0.825  1.00 1.73  1   W  1 
HETATM 2631 C C17   . LIG_W  W  23 .   ? -10.419 9.605   -1.855  1.00 1.54  1   W  1 
HETATM 2632 C C18   . LIG_W  W  23 .   ? -9.816  9.899   -2.956  1.00 1.70  1   W  1 
HETATM 2633 O O1    . LIG_W  W  23 .   ? -8.762  10.419  -2.942  1.00 2.28  1   W  1 
HETATM 2634 O O2    . LIG_W  W  23 .   ? -10.426 9.576   -3.975  1.00 2.01  1   W  1 
HETATM 2635 C C19   . LIG_W  W  23 .   ? -9.899  9.973   -5.100  1.00 1.48  1   W  1 
HETATM 2636 C C20   . LIG_W  W  23 .   ? -10.267 9.209   -6.255  1.00 1.73  1   W  1 
HETATM 2637 C C21   . LIG_W  W  23 .   ? -10.969 10.031  -7.220  1.00 1.72  1   W  1 
HETATM 2638 O O3    . LIG_W  W  23 .   ? -10.567 9.642   -8.440  1.00 1.82  1   W  1 
HETATM 2639 P P1    . LIG_W  W  23 .   ? -11.165 10.292  -9.699  1.00 1.75  1   W  1 
HETATM 2640 O O4    . LIG_W  W  23 .   ? -10.639 11.627  -9.813  1.00 1.66  1   W  1 
HETATM 2641 O O5    . LIG_W  W  23 .   ? -11.031 9.373   -10.752 1.00 1.90  1   W  1 
HETATM 2642 O O6    . LIG_W  W  23 .   ? -12.625 10.366  -9.230  1.00 1.70  1   W  1 
HETATM 2643 C C22   . LIG_W  W  23 .   ? -13.581 10.912  -9.836  1.00 1.78  1   W  1 
HETATM 2644 C C23   . LIG_W  W  23 .   ? -14.552 11.245  -8.915  1.00 1.71  1   W  1 
HETATM 2645 N N1    . LIG_W  W  23 .   ? -14.902 12.556  -8.839  1.00 2.79  1   W  1 
HETATM 2646 C C24   . LIG_W  W  23 .   ? -15.339 12.793  -7.545  1.00 1.70  1   W  1 
HETATM 2647 C C25   . LIG_W  W  23 .   ? -13.789 13.397  -9.134  1.00 1.83  1   W  1 
HETATM 2648 C C26   . LIG_W  W  23 .   ? -15.914 12.792  -9.763  1.00 1.77  1   W  1 
HETATM 2649 O O7    . LIG_W  W  23 .   ? -10.877 7.978   -6.022  1.00 1.84  1   W  1 
HETATM 2650 C C27   . LIG_W  W  23 .   ? -12.118 7.847   -5.701  1.00 1.91  1   W  1 
HETATM 2651 O O8    . LIG_W  W  23 .   ? -12.962 8.635   -5.909  1.00 1.58  1   W  1 
HETATM 2652 C C28   . LIG_W  W  23 .   ? -12.363 6.737   -5.058  1.00 1.62  1   W  1 
HETATM 2653 C C29   . LIG_W  W  23 .   ? -12.830 6.551   -4.023  1.00 1.70  1   W  1 
HETATM 2654 C C30   . LIG_W  W  23 .   ? -13.196 6.523   -2.991  1.00 1.71  1   W  1 
HETATM 2655 C C31   . LIG_W  W  23 .   ? -13.604 6.531   -1.950  1.00 1.55  1   W  1 
HETATM 2656 C C32   . LIG_W  W  23 .   ? -13.983 6.546   -0.919  1.00 1.72  1   W  1 
HETATM 2657 C C33   . LIG_W  W  23 .   ? -14.385 6.569   0.123   1.00 1.61  1   W  1 
HETATM 2658 C C34   . LIG_W  W  23 .   ? -14.793 6.605   1.168   1.00 1.59  1   W  1 
HETATM 2659 C C35   . LIG_W  W  23 .   ? -15.219 6.652   2.206   1.00 1.58  1   W  1 
HETATM 2660 C C36   . LIG_W  W  23 .   ? -15.680 6.733   3.241   1.00 1.65  1   W  1 
HETATM 2661 C C37   . LIG_W  W  23 .   ? -16.177 6.847   4.270   1.00 1.68  1   W  1 
HETATM 2662 C C38   . LIG_W  W  23 .   ? -16.716 6.998   5.280   1.00 1.51  1   W  1 
HETATM 2663 C C39   . LIG_W  W  23 .   ? -17.292 7.183   6.290   1.00 1.51  1   W  1 
HETATM 2664 C C40   . LIG_W  W  23 .   ? -17.883 7.403   7.258   1.00 1.71  1   W  1 
HETATM 2665 C C41   . LIG_W  W  23 .   ? -18.524 7.629   8.184   1.00 1.44  1   W  1 
HETATM 2666 C C42   . LIG_W  W  23 .   ? -19.206 7.805   9.007   1.00 1.41  1   W  1 
HETATM 2667 C C43   . LIG_W  W  23 .   ? -20.023 7.897   9.723   1.00 1.35  1   W  1 
HETATM 2668 C C44   . LIG_W  W  23 .   ? -20.987 7.910   10.414  1.00 1.40  1   W  1 
HETATM 2669 C C1    . LIG_X  X  24 .   ? -22.168 -3.362  6.527   1.00 1.79  1   X  1 
HETATM 2670 C C2    . LIG_X  X  24 .   ? -22.294 -4.297  6.902   1.00 1.81  1   X  1 
HETATM 2671 C C3    . LIG_X  X  24 .   ? -21.912 -5.213  6.472   1.00 1.70  1   X  1 
HETATM 2672 C C4    . LIG_X  X  24 .   ? -21.151 -5.583  5.791   1.00 1.92  1   X  1 
HETATM 2673 C C5    . LIG_X  X  24 .   ? -20.268 -5.821  5.239   1.00 1.76  1   X  1 
HETATM 2674 C C6    . LIG_X  X  24 .   ? -19.300 -5.933  4.761   1.00 1.59  1   X  1 
HETATM 2675 C C7    . LIG_X  X  24 .   ? -18.327 -6.040  4.361   1.00 1.55  1   X  1 
HETATM 2676 C C8    . LIG_X  X  24 .   ? -17.357 -6.128  3.908   1.00 1.54  1   X  1 
HETATM 2677 C C9    . LIG_X  X  24 .   ? -16.470 -6.293  3.389   1.00 1.59  1   X  1 
HETATM 2678 C C10   . LIG_X  X  24 .   ? -15.638 -6.488  2.700   1.00 1.73  1   X  1 
HETATM 2679 C C11   . LIG_X  X  24 .   ? -14.935 -6.699  1.932   1.00 1.63  1   X  1 
HETATM 2680 C C12   . LIG_X  X  24 .   ? -14.264 -6.904  1.079   1.00 1.72  1   X  1 
HETATM 2681 C C13   . LIG_X  X  24 .   ? -13.669 -7.099  0.207   1.00 1.41  1   X  1 
HETATM 2682 C C14   . LIG_X  X  24 .   ? -13.076 -7.246  -0.723  1.00 1.36  1   X  1 
HETATM 2683 C C15   . LIG_X  X  24 .   ? -12.546 -7.367  -1.620  1.00 1.36  1   X  1 
HETATM 2684 C C16   . LIG_X  X  24 .   ? -11.992 -7.434  -2.618  1.00 1.37  1   X  1 
HETATM 2685 C C17   . LIG_X  X  24 .   ? -11.542 -7.360  -3.485  1.00 1.28  1   X  1 
HETATM 2686 C C18   . LIG_X  X  24 .   ? -10.974 -7.410  -4.611  1.00 1.31  1   X  1 
HETATM 2687 O O1    . LIG_X  X  24 .   ? -10.648 -8.420  -5.088  1.00 1.70  1   X  1 
HETATM 2688 O O2    . LIG_X  X  24 .   ? -10.834 -6.292  -5.087  1.00 1.69  1   X  1 
HETATM 2689 C C19   . LIG_X  X  24 .   ? -10.224 -6.227  -6.236  1.00 1.26  1   X  1 
HETATM 2690 C C20   . LIG_X  X  24 .   ? -10.359 -4.928  -6.851  1.00 1.37  1   X  1 
HETATM 2691 C C21   . LIG_X  X  24 .   ? -9.672  -4.905  -8.158  1.00 1.35  1   X  1 
HETATM 2692 O O3    . LIG_X  X  24 .   ? -9.970  -6.022  -8.811  1.00 1.39  1   X  1 
HETATM 2693 P P1    . LIG_X  X  24 .   ? -9.516  -6.256  -10.262 1.00 1.38  1   X  1 
HETATM 2694 O O4    . LIG_X  X  24 .   ? -9.808  -7.622  -10.558 1.00 1.23  1   X  1 
HETATM 2695 O O5    . LIG_X  X  24 .   ? -8.242  -5.740  -10.484 1.00 1.41  1   X  1 
HETATM 2696 O O6    . LIG_X  X  24 .   ? -10.593 -5.385  -10.941 1.00 1.35  1   X  1 
HETATM 2697 C C22   . LIG_X  X  24 .   ? -10.645 -5.088  -12.155 1.00 1.44  1   X  1 
HETATM 2698 C C23   . LIG_X  X  24 .   ? -11.898 -4.570  -12.475 1.00 1.37  1   X  1 
HETATM 2699 N N1    . LIG_X  X  24 .   ? -12.259 -3.312  -12.024 1.00 2.10  1   X  1 
HETATM 2700 C C24   . LIG_X  X  24 .   ? -11.247 -2.366  -12.345 1.00 1.59  1   X  1 
HETATM 2701 C C25   . LIG_X  X  24 .   ? -13.451 -2.976  -12.618 1.00 1.47  1   X  1 
HETATM 2702 C C26   . LIG_X  X  24 .   ? -12.463 -3.321  -10.637 1.00 1.60  1   X  1 
HETATM 2703 O O7    . LIG_X  X  24 .   ? -9.723  -4.000  -6.038  1.00 1.55  1   X  1 
HETATM 2704 C C27   . LIG_X  X  24 .   ? -10.401 -2.978  -5.803  1.00 1.64  1   X  1 
HETATM 2705 O O8    . LIG_X  X  24 .   ? -11.418 -2.749  -6.394  1.00 1.47  1   X  1 
HETATM 2706 C C28   . LIG_X  X  24 .   ? -9.935  -2.201  -4.842  1.00 1.47  1   X  1 
HETATM 2707 C C29   . LIG_X  X  24 .   ? -10.565 -1.828  -3.905  1.00 1.56  1   X  1 
HETATM 2708 C C30   . LIG_X  X  24 .   ? -11.516 -2.005  -3.309  1.00 1.57  1   X  1 
HETATM 2709 C C31   . LIG_X  X  24 .   ? -12.375 -1.995  -2.576  1.00 1.48  1   X  1 
HETATM 2710 C C32   . LIG_X  X  24 .   ? -13.272 -2.175  -1.965  1.00 1.64  1   X  1 
HETATM 2711 C C33   . LIG_X  X  24 .   ? -14.149 -2.231  -1.276  1.00 1.61  1   X  1 
HETATM 2712 C C34   . LIG_X  X  24 .   ? -15.025 -2.318  -0.609  1.00 1.56  1   X  1 
HETATM 2713 C C35   . LIG_X  X  24 .   ? -15.890 -2.318  0.109   1.00 1.56  1   X  1 
HETATM 2714 C C36   . LIG_X  X  24 .   ? -16.733 -2.272  0.848   1.00 1.62  1   X  1 
HETATM 2715 C C37   . LIG_X  X  24 .   ? -17.552 -2.180  1.618   1.00 1.62  1   X  1 
HETATM 2716 C C38   . LIG_X  X  24 .   ? -18.376 -2.067  2.374   1.00 1.49  1   X  1 
HETATM 2717 C C39   . LIG_X  X  24 .   ? -19.230 -1.936  3.128   1.00 1.55  1   X  1 
HETATM 2718 C C40   . LIG_X  X  24 .   ? -20.080 -1.819  3.834   1.00 1.76  1   X  1 
HETATM 2719 C C41   . LIG_X  X  24 .   ? -20.976 -1.710  4.486   1.00 1.43  1   X  1 
HETATM 2720 C C42   . LIG_X  X  24 .   ? -21.854 -1.609  5.066   1.00 1.38  1   X  1 
HETATM 2721 C C43   . LIG_X  X  24 .   ? -22.746 -1.384  5.586   1.00 1.33  1   X  1 
HETATM 2722 C C44   . LIG_X  X  24 .   ? -23.730 -1.066  6.129   1.00 1.38  1   X  1 
HETATM 2723 C C1    . LIG_Y  Y  25 .   ? -12.714 -18.283 17.344  1.00 1.81  1   Y  1 
HETATM 2724 C C2    . LIG_Y  Y  25 .   ? -12.000 -18.542 17.999  1.00 1.94  1   Y  1 
HETATM 2725 C C3    . LIG_Y  Y  25 .   ? -11.055 -19.058 17.902  1.00 1.94  1   Y  1 
HETATM 2726 C C4    . LIG_Y  Y  25 .   ? -10.291 -19.584 17.372  1.00 2.16  1   Y  1 
HETATM 2727 C C5    . LIG_Y  Y  25 .   ? -9.547  -20.069 16.750  1.00 1.88  1   Y  1 
HETATM 2728 C C6    . LIG_Y  Y  25 .   ? -8.877  -20.552 16.034  1.00 1.75  1   Y  1 
HETATM 2729 C C7    . LIG_Y  Y  25 .   ? -8.255  -21.009 15.298  1.00 1.55  1   Y  1 
HETATM 2730 C C8    . LIG_Y  Y  25 .   ? -7.648  -21.427 14.489  1.00 1.56  1   Y  1 
HETATM 2731 C C9    . LIG_Y  Y  25 .   ? -7.073  -21.813 13.680  1.00 1.58  1   Y  1 
HETATM 2732 C C10   . LIG_Y  Y  25 .   ? -6.463  -22.166 12.801  1.00 1.59  1   Y  1 
HETATM 2733 C C11   . LIG_Y  Y  25 .   ? -5.867  -22.478 11.948  1.00 1.52  1   Y  1 
HETATM 2734 C C12   . LIG_Y  Y  25 .   ? -5.264  -22.776 11.063  1.00 1.56  1   Y  1 
HETATM 2735 C C13   . LIG_Y  Y  25 .   ? -4.696  -23.025 10.174  1.00 1.29  1   Y  1 
HETATM 2736 C C14   . LIG_Y  Y  25 .   ? -4.133  -23.247 9.224   1.00 1.30  1   Y  1 
HETATM 2737 C C15   . LIG_Y  Y  25 .   ? -3.642  -23.437 8.287   1.00 1.27  1   Y  1 
HETATM 2738 C C16   . LIG_Y  Y  25 .   ? -3.092  -23.589 7.290   1.00 1.27  1   Y  1 
HETATM 2739 C C17   . LIG_Y  Y  25 .   ? -2.789  -23.737 6.334   1.00 1.19  1   Y  1 
HETATM 2740 C C18   . LIG_Y  Y  25 .   ? -2.107  -23.817 5.281   1.00 1.21  1   Y  1 
HETATM 2741 O O1    . LIG_Y  Y  25 .   ? -0.935  -23.710 5.307   1.00 1.55  1   Y  1 
HETATM 2742 O O2    . LIG_Y  Y  25 .   ? -2.787  -23.957 4.287   1.00 1.42  1   Y  1 
HETATM 2743 C C19   . LIG_Y  Y  25 .   ? -2.136  -23.971 3.149   1.00 1.17  1   Y  1 
HETATM 2744 C C20   . LIG_Y  Y  25 .   ? -2.996  -24.328 2.041   1.00 1.22  1   Y  1 
HETATM 2745 C C21   . LIG_Y  Y  25 .   ? -2.175  -24.522 0.826   1.00 1.21  1   Y  1 
HETATM 2746 O O3    . LIG_Y  Y  25 .   ? -1.317  -25.509 1.055   1.00 1.25  1   Y  1 
HETATM 2747 P P1    . LIG_Y  Y  25 .   ? -0.220  -25.891 0.021   1.00 1.20  1   Y  1 
HETATM 2748 O O4    . LIG_Y  Y  25 .   ? 0.757   -24.867 -0.002  1.00 1.15  1   Y  1 
HETATM 2749 O O5    . LIG_Y  Y  25 .   ? -0.820  -26.333 -1.170  1.00 1.17  1   Y  1 
HETATM 2750 O O6    . LIG_Y  Y  25 .   ? 0.376   -27.092 0.747   1.00 1.20  1   Y  1 
HETATM 2751 C C22   . LIG_Y  Y  25 .   ? 1.300   -27.006 1.614   1.00 1.26  1   Y  1 
HETATM 2752 C C23   . LIG_Y  Y  25 .   ? 1.999   -28.191 1.731   1.00 1.26  1   Y  1 
HETATM 2753 N N1    . LIG_Y  Y  25 .   ? 1.347   -29.273 2.260   1.00 1.80  1   Y  1 
HETATM 2754 C C24   . LIG_Y  Y  25 .   ? 2.153   -30.405 2.094   1.00 1.37  1   Y  1 
HETATM 2755 C C25   . LIG_Y  Y  25 .   ? 0.109   -29.493 1.608   1.00 1.36  1   Y  1 
HETATM 2756 C C26   . LIG_Y  Y  25 .   ? 1.120   -29.023 3.626   1.00 1.41  1   Y  1 
HETATM 2757 O O7    . LIG_Y  Y  25 .   ? -3.868  -23.268 1.813   1.00 1.29  1   Y  1 
HETATM 2758 C C27   . LIG_Y  Y  25 .   ? -5.097  -23.551 1.906   1.00 1.31  1   Y  1 
HETATM 2759 O O8    . LIG_Y  Y  25 .   ? -5.476  -24.682 1.947   1.00 1.29  1   Y  1 
HETATM 2760 C C28   . LIG_Y  Y  25 .   ? -5.920  -22.540 2.038   1.00 1.25  1   Y  1 
HETATM 2761 C C29   . LIG_Y  Y  25 .   ? -6.794  -22.335 2.768   1.00 1.32  1   Y  1 
HETATM 2762 C C30   . LIG_Y  Y  25 .   ? -7.534  -21.954 3.502   1.00 1.32  1   Y  1 
HETATM 2763 C C31   . LIG_Y  Y  25 .   ? -8.223  -21.647 4.341   1.00 1.29  1   Y  1 
HETATM 2764 C C32   . LIG_Y  Y  25 .   ? -8.815  -21.288 5.205   1.00 1.47  1   Y  1 
HETATM 2765 C C33   . LIG_Y  Y  25 .   ? -9.342  -20.951 6.140   1.00 1.43  1   Y  1 
HETATM 2766 C C34   . LIG_Y  Y  25 .   ? -9.823  -20.594 7.085   1.00 1.40  1   Y  1 
HETATM 2767 C C35   . LIG_Y  Y  25 .   ? -10.279 -20.239 8.047   1.00 1.40  1   Y  1 
HETATM 2768 C C36   . LIG_Y  Y  25 .   ? -10.695 -19.883 9.031   1.00 1.44  1   Y  1 
HETATM 2769 C C37   . LIG_Y  Y  25 .   ? -11.101 -19.544 10.039  1.00 1.48  1   Y  1 
HETATM 2770 C C38   . LIG_Y  Y  25 .   ? -11.522 -19.223 11.054  1.00 1.43  1   Y  1 
HETATM 2771 C C39   . LIG_Y  Y  25 .   ? -11.977 -18.913 12.080  1.00 1.53  1   Y  1 
HETATM 2772 C C40   . LIG_Y  Y  25 .   ? -12.453 -18.634 13.088  1.00 1.67  1   Y  1 
HETATM 2773 C C41   . LIG_Y  Y  25 .   ? -12.961 -18.355 14.072  1.00 1.49  1   Y  1 
HETATM 2774 C C42   . LIG_Y  Y  25 .   ? -13.500 -18.104 14.990  1.00 1.43  1   Y  1 
HETATM 2775 C C43   . LIG_Y  Y  25 .   ? -14.138 -17.818 15.801  1.00 1.37  1   Y  1 
HETATM 2776 C C44   . LIG_Y  Y  25 .   ? -14.933 -17.477 16.650  1.00 1.41  1   Y  1 
HETATM 2777 C C1    . LIG_Z  Z  26 .   ? -10.386 -10.820 12.736  1.00 1.76  1   Z  1 
HETATM 2778 C C2    . LIG_Z  Z  26 .   ? -10.056 -11.159 13.677  1.00 1.77  1   Z  1 
HETATM 2779 C C3    . LIG_Z  Z  26 .   ? -9.175  -11.736 13.844  1.00 1.73  1   Z  1 
HETATM 2780 C C4    . LIG_Z  Z  26 .   ? -8.416  -12.264 13.316  1.00 1.91  1   Z  1 
HETATM 2781 C C5    . LIG_Z  Z  26 .   ? -7.733  -12.762 12.683  1.00 1.76  1   Z  1 
HETATM 2782 C C6    . LIG_Z  Z  26 .   ? -7.164  -13.221 11.885  1.00 1.60  1   Z  1 
HETATM 2783 C C7    . LIG_Z  Z  26 .   ? -6.681  -13.635 11.046  1.00 1.51  1   Z  1 
HETATM 2784 C C8    . LIG_Z  Z  26 .   ? -6.246  -14.012 10.134  1.00 1.53  1   Z  1 
HETATM 2785 C C9    . LIG_Z  Z  26 .   ? -5.863  -14.389 9.229   1.00 1.56  1   Z  1 
HETATM 2786 C C10   . LIG_Z  Z  26 .   ? -5.475  -14.768 8.260   1.00 1.64  1   Z  1 
HETATM 2787 C C11   . LIG_Z  Z  26 .   ? -5.093  -15.131 7.319   1.00 1.57  1   Z  1 
HETATM 2788 C C12   . LIG_Z  Z  26 .   ? -4.692  -15.481 6.336   1.00 1.64  1   Z  1 
HETATM 2789 C C13   . LIG_Z  Z  26 .   ? -4.310  -15.789 5.366   1.00 1.34  1   Z  1 
HETATM 2790 C C14   . LIG_Z  Z  26 .   ? -3.908  -16.085 4.375   1.00 1.37  1   Z  1 
HETATM 2791 C C15   . LIG_Z  Z  26 .   ? -3.510  -16.357 3.425   1.00 1.33  1   Z  1 
HETATM 2792 C C16   . LIG_Z  Z  26 .   ? -3.052  -16.643 2.432   1.00 1.33  1   Z  1 
HETATM 2793 C C17   . LIG_Z  Z  26 .   ? -2.663  -16.879 1.552   1.00 1.23  1   Z  1 
HETATM 2794 C C18   . LIG_Z  Z  26 .   ? -2.011  -17.178 0.510   1.00 1.27  1   Z  1 
HETATM 2795 O O1    . LIG_Z  Z  26 .   ? -0.986  -17.735 0.550   1.00 1.65  1   Z  1 
HETATM 2796 O O2    . LIG_Z  Z  26 .   ? -2.580  -16.786 -0.489  1.00 1.56  1   Z  1 
HETATM 2797 C C19   . LIG_Z  Z  26 .   ? -1.940  -16.966 -1.618  1.00 1.23  1   Z  1 
HETATM 2798 C C20   . LIG_Z  Z  26 .   ? -2.759  -16.714 -2.770  1.00 1.28  1   Z  1 
HETATM 2799 C C21   . LIG_Z  Z  26 .   ? -1.919  -16.650 -3.988  1.00 1.27  1   Z  1 
HETATM 2800 O O3    . LIG_Z  Z  26 .   ? -1.176  -17.739 -4.032  1.00 1.30  1   Z  1 
HETATM 2801 P P1    . LIG_Z  Z  26 .   ? -0.261  -18.114 -5.224  1.00 1.30  1   Z  1 
HETATM 2802 O O4    . LIG_Z  Z  26 .   ? 0.475   -17.000 -5.633  1.00 1.30  1   Z  1 
HETATM 2803 O O5    . LIG_Z  Z  26 .   ? -0.963  -18.921 -6.122  1.00 1.27  1   Z  1 
HETATM 2804 O O6    . LIG_Z  Z  26 .   ? 0.633   -19.055 -4.428  1.00 1.31  1   Z  1 
HETATM 2805 C C22   . LIG_Z  Z  26 .   ? 1.822   -18.914 -4.163  1.00 1.40  1   Z  1 
HETATM 2806 C C23   . LIG_Z  Z  26 .   ? 2.208   -19.908 -3.323  1.00 1.40  1   Z  1 
HETATM 2807 N N1    . LIG_Z  Z  26 .   ? 3.503   -20.049 -2.990  1.00 1.99  1   Z  1 
HETATM 2808 C C24   . LIG_Z  Z  26 .   ? 3.889   -18.956 -2.211  1.00 1.75  1   Z  1 
HETATM 2809 C C25   . LIG_Z  Z  26 .   ? 3.610   -21.254 -2.280  1.00 1.60  1   Z  1 
HETATM 2810 C C26   . LIG_Z  Z  26 .   ? 4.313   -20.124 -4.143  1.00 1.74  1   Z  1 
HETATM 2811 O O7    . LIG_Z  Z  26 .   ? -3.388  -15.494 -2.630  1.00 1.37  1   Z  1 
HETATM 2812 C C27   . LIG_Z  Z  26 .   ? -4.659  -15.525 -2.712  1.00 1.44  1   Z  1 
HETATM 2813 O O8    . LIG_Z  Z  26 .   ? -5.248  -16.493 -3.080  1.00 1.34  1   Z  1 
HETATM 2814 C C28   . LIG_Z  Z  26 .   ? -5.263  -14.447 -2.311  1.00 1.34  1   Z  1 
HETATM 2815 C C29   . LIG_Z  Z  26 .   ? -5.696  -14.017 -1.389  1.00 1.39  1   Z  1 
HETATM 2816 C C30   . LIG_Z  Z  26 .   ? -6.131  -13.425 -0.558  1.00 1.41  1   Z  1 
HETATM 2817 C C31   . LIG_Z  Z  26 .   ? -6.438  -13.005 0.418   1.00 1.35  1   Z  1 
HETATM 2818 C C32   . LIG_Z  Z  26 .   ? -6.751  -12.570 1.355   1.00 1.50  1   Z  1 
HETATM 2819 C C33   . LIG_Z  Z  26 .   ? -7.004  -12.189 2.353   1.00 1.48  1   Z  1 
HETATM 2820 C C34   . LIG_Z  Z  26 .   ? -7.230  -11.798 3.357   1.00 1.46  1   Z  1 
HETATM 2821 C C35   . LIG_Z  Z  26 .   ? -7.426  -11.452 4.383   1.00 1.47  1   Z  1 
HETATM 2822 C C36   . LIG_Z  Z  26 .   ? -7.629  -11.156 5.414   1.00 1.49  1   Z  1 
HETATM 2823 C C37   . LIG_Z  Z  26 .   ? -7.898  -10.905 6.449   1.00 1.53  1   Z  1 
HETATM 2824 C C38   . LIG_Z  Z  26 .   ? -8.298  -10.727 7.450   1.00 1.42  1   Z  1 
HETATM 2825 C C39   . LIG_Z  Z  26 .   ? -8.819  -10.601 8.408   1.00 1.50  1   Z  1 
HETATM 2826 C C40   . LIG_Z  Z  26 .   ? -9.416  -10.511 9.314   1.00 1.62  1   Z  1 
HETATM 2827 C C41   . LIG_Z  Z  26 .   ? -10.094 -10.436 10.163  1.00 1.41  1   Z  1 
HETATM 2828 C C42   . LIG_Z  Z  26 .   ? -10.783 -10.366 10.950  1.00 1.36  1   Z  1 
HETATM 2829 C C43   . LIG_Z  Z  26 .   ? -11.580 -10.257 11.627  1.00 1.33  1   Z  1 
HETATM 2830 C C44   . LIG_Z  Z  26 .   ? -12.549 -10.064 12.256  1.00 1.34  1   Z  1 
HETATM 2831 C C1    . LIG_AA AA 27 .   ? -16.357 -14.958 13.738  1.00 1.73  1   AA 1 
HETATM 2832 C C2    . LIG_AA AA 27 .   ? -15.620 -14.383 13.641  1.00 1.87  1   AA 1 
HETATM 2833 C C3    . LIG_AA AA 27 .   ? -14.747 -14.075 13.031  1.00 1.83  1   AA 1 
HETATM 2834 C C4    . LIG_AA AA 27 .   ? -13.968 -14.069 12.319  1.00 1.97  1   AA 1 
HETATM 2835 C C5    . LIG_AA AA 27 .   ? -13.190 -14.117 11.565  1.00 1.78  1   AA 1 
HETATM 2836 C C6    . LIG_AA AA 27 .   ? -12.463 -14.299 10.767  1.00 1.58  1   AA 1 
HETATM 2837 C C7    . LIG_AA AA 27 .   ? -11.759 -14.523 9.976   1.00 1.51  1   AA 1 
HETATM 2838 C C8    . LIG_AA AA 27 .   ? -11.106 -14.839 9.155   1.00 1.50  1   AA 1 
HETATM 2839 C C9    . LIG_AA AA 27 .   ? -10.497 -15.196 8.349   1.00 1.53  1   AA 1 
HETATM 2840 C C10   . LIG_AA AA 27 .   ? -9.908  -15.592 7.475   1.00 1.65  1   AA 1 
HETATM 2841 C C11   . LIG_AA AA 27 .   ? -9.396  -15.999 6.593   1.00 1.56  1   AA 1 
HETATM 2842 C C12   . LIG_AA AA 27 .   ? -8.926  -16.433 5.662   1.00 1.62  1   AA 1 
HETATM 2843 C C13   . LIG_AA AA 27 .   ? -8.496  -16.831 4.731   1.00 1.32  1   AA 1 
HETATM 2844 C C14   . LIG_AA AA 27 .   ? -8.112  -17.249 3.740   1.00 1.33  1   AA 1 
HETATM 2845 C C15   . LIG_AA AA 27 .   ? -7.681  -17.646 2.842   1.00 1.30  1   AA 1 
HETATM 2846 C C16   . LIG_AA AA 27 .   ? -7.285  -18.073 1.839   1.00 1.29  1   AA 1 
HETATM 2847 C C17   . LIG_AA AA 27 .   ? -6.661  -18.449 1.089   1.00 1.22  1   AA 1 
HETATM 2848 C C18   . LIG_AA AA 27 .   ? -6.342  -18.904 -0.078  1.00 1.24  1   AA 1 
HETATM 2849 O O1    . LIG_AA AA 27 .   ? -5.220  -18.975 -0.415  1.00 1.57  1   AA 1 
HETATM 2850 O O2    . LIG_AA AA 27 .   ? -7.296  -19.222 -0.757  1.00 1.50  1   AA 1 
HETATM 2851 C C19   . LIG_AA AA 27 .   ? -7.046  -19.555 -2.005  1.00 1.18  1   AA 1 
HETATM 2852 C C20   . LIG_AA AA 27 .   ? -8.251  -19.940 -2.717  1.00 1.24  1   AA 1 
HETATM 2853 C C21   . LIG_AA AA 27 .   ? -7.986  -19.971 -4.169  1.00 1.22  1   AA 1 
HETATM 2854 O O3    . LIG_AA AA 27 .   ? -7.793  -21.235 -4.523  1.00 1.26  1   AA 1 
HETATM 2855 P P1    . LIG_AA AA 27 .   ? -7.382  -21.667 -5.932  1.00 1.18  1   AA 1 
HETATM 2856 O O4    . LIG_AA AA 27 .   ? -7.470  -23.097 -5.955  1.00 1.15  1   AA 1 
HETATM 2857 O O5    . LIG_AA AA 27 .   ? -8.022  -20.929 -6.926  1.00 1.17  1   AA 1 
HETATM 2858 O O6    . LIG_AA AA 27 .   ? -5.900  -21.252 -5.912  1.00 1.22  1   AA 1 
HETATM 2859 C C22   . LIG_AA AA 27 .   ? -5.053  -21.789 -5.194  1.00 1.24  1   AA 1 
HETATM 2860 C C23   . LIG_AA AA 27 .   ? -3.768  -21.361 -5.385  1.00 1.25  1   AA 1 
HETATM 2861 N N1    . LIG_AA AA 27 .   ? -2.828  -22.040 -4.657  1.00 1.77  1   AA 1 
HETATM 2862 C C24   . LIG_AA AA 27 .   ? -1.583  -21.539 -4.964  1.00 1.32  1   AA 1 
HETATM 2863 C C25   . LIG_AA AA 27 .   ? -2.889  -23.413 -5.011  1.00 1.33  1   AA 1 
HETATM 2864 C C26   . LIG_AA AA 27 .   ? -3.074  -21.848 -3.297  1.00 1.39  1   AA 1 
HETATM 2865 O O7    . LIG_AA AA 27 .   ? -9.258  -19.021 -2.480  1.00 1.36  1   AA 1 
HETATM 2866 C C27   . LIG_AA AA 27 .   ? -10.281 -19.494 -1.874  1.00 1.37  1   AA 1 
HETATM 2867 O O8    . LIG_AA AA 27 .   ? -10.471 -20.669 -1.795  1.00 1.32  1   AA 1 
HETATM 2868 C C28   . LIG_AA AA 27 .   ? -11.044 -18.642 -1.276  1.00 1.28  1   AA 1 
HETATM 2869 C C29   . LIG_AA AA 27 .   ? -11.588 -18.673 -0.248  1.00 1.37  1   AA 1 
HETATM 2870 C C30   . LIG_AA AA 27 .   ? -12.079 -18.493 0.718   1.00 1.38  1   AA 1 
HETATM 2871 C C31   . LIG_AA AA 27 .   ? -12.526 -18.375 1.745   1.00 1.35  1   AA 1 
HETATM 2872 C C32   . LIG_AA AA 27 .   ? -12.967 -18.182 2.740   1.00 1.51  1   AA 1 
HETATM 2873 C C33   . LIG_AA AA 27 .   ? -13.407 -17.970 3.758   1.00 1.46  1   AA 1 
HETATM 2874 C C34   . LIG_AA AA 27 .   ? -13.843 -17.701 4.760   1.00 1.45  1   AA 1 
HETATM 2875 C C35   . LIG_AA AA 27 .   ? -14.284 -17.414 5.758   1.00 1.45  1   AA 1 
HETATM 2876 C C36   . LIG_AA AA 27 .   ? -14.727 -17.156 6.750   1.00 1.50  1   AA 1 
HETATM 2877 C C37   . LIG_AA AA 27 .   ? -15.191 -16.931 7.746   1.00 1.53  1   AA 1 
HETATM 2878 C C38   . LIG_AA AA 27 .   ? -15.678 -16.740 8.742   1.00 1.44  1   AA 1 
HETATM 2879 C C39   . LIG_AA AA 27 .   ? -16.162 -16.563 9.749   1.00 1.58  1   AA 1 
HETATM 2880 C C40   . LIG_AA AA 27 .   ? -16.639 -16.408 10.743  1.00 1.68  1   AA 1 
HETATM 2881 C C41   . LIG_AA AA 27 .   ? -17.121 -16.276 11.750  1.00 1.47  1   AA 1 
HETATM 2882 C C42   . LIG_AA AA 27 .   ? -17.587 -16.201 12.724  1.00 1.46  1   AA 1 
HETATM 2883 C C43   . LIG_AA AA 27 .   ? -18.110 -16.145 13.683  1.00 1.36  1   AA 1 
HETATM 2884 C C44   . LIG_AA AA 27 .   ? -18.716 -16.157 14.678  1.00 1.41  1   AA 1 
HETATM 2885 C C1    . LIG_BA BA 28 .   ? -4.645  -9.156  25.940  1.00 1.52  1   BA 1 
HETATM 2886 C C2    . LIG_BA BA 28 .   ? -4.239  -8.849  25.108  1.00 1.77  1   BA 1 
HETATM 2887 C C3    . LIG_BA BA 28 .   ? -3.683  -8.835  24.171  1.00 1.82  1   BA 1 
HETATM 2888 C C4    . LIG_BA BA 28 .   ? -3.081  -8.857  23.235  1.00 1.95  1   BA 1 
HETATM 2889 C C5    . LIG_BA BA 28 .   ? -2.432  -8.908  22.324  1.00 1.79  1   BA 1 
HETATM 2890 C C6    . LIG_BA BA 28 .   ? -1.760  -8.997  21.414  1.00 1.61  1   BA 1 
HETATM 2891 C C7    . LIG_BA BA 28 .   ? -1.094  -9.074  20.529  1.00 1.57  1   BA 1 
HETATM 2892 C C8    . LIG_BA BA 28 .   ? -0.381  -9.136  19.645  1.00 1.52  1   BA 1 
HETATM 2893 C C9    . LIG_BA BA 28 .   ? 0.344   -9.226  18.813  1.00 1.59  1   BA 1 
HETATM 2894 C C10   . LIG_BA BA 28 .   ? 1.119   -9.311  17.953  1.00 1.76  1   BA 1 
HETATM 2895 C C11   . LIG_BA BA 28 .   ? 1.887   -9.364  17.140  1.00 1.60  1   BA 1 
HETATM 2896 C C12   . LIG_BA BA 28 .   ? 2.672   -9.444  16.309  1.00 1.75  1   BA 1 
HETATM 2897 C C13   . LIG_BA BA 28 .   ? 3.447   -9.486  15.509  1.00 1.44  1   BA 1 
HETATM 2898 C C14   . LIG_BA BA 28 .   ? 4.230   -9.573  14.688  1.00 1.43  1   BA 1 
HETATM 2899 C C15   . LIG_BA BA 28 .   ? 5.014   -9.566  13.921  1.00 1.42  1   BA 1 
HETATM 2900 C C16   . LIG_BA BA 28 .   ? 5.803   -9.655  13.068  1.00 1.43  1   BA 1 
HETATM 2901 C C17   . LIG_BA BA 28 .   ? 6.572   -9.454  12.336  1.00 1.31  1   BA 1 
HETATM 2902 C C18   . LIG_BA BA 28 .   ? 7.301   -9.774  11.329  1.00 1.39  1   BA 1 
HETATM 2903 O O1    . LIG_BA BA 28 .   ? 7.853   -8.971  10.690  1.00 1.84  1   BA 1 
HETATM 2904 O O2    . LIG_BA BA 28 .   ? 7.317   -10.962 11.127  1.00 1.72  1   BA 1 
HETATM 2905 C C19   . LIG_BA BA 28 .   ? 7.962   -11.380 10.061  1.00 1.29  1   BA 1 
HETATM 2906 C C20   . LIG_BA BA 28 .   ? 8.244   -12.790 10.120  1.00 1.35  1   BA 1 
HETATM 2907 C C21   . LIG_BA BA 28 .   ? 8.727   -13.252 8.814   1.00 1.33  1   BA 1 
HETATM 2908 O O3    . LIG_BA BA 28 .   ? 10.046  -13.157 8.842   1.00 1.49  1   BA 1 
HETATM 2909 P P1    . LIG_BA BA 28 .   ? 10.912  -13.324 7.596   1.00 1.55  1   BA 1 
HETATM 2910 O O4    . LIG_BA BA 28 .   ? 11.920  -14.294 7.875   1.00 1.49  1   BA 1 
HETATM 2911 O O5    . LIG_BA BA 28 .   ? 10.153  -13.484 6.439   1.00 1.79  1   BA 1 
HETATM 2912 O O6    . LIG_BA BA 28 .   ? 11.563  -11.946 7.602   1.00 1.47  1   BA 1 
HETATM 2913 C C22   . LIG_BA BA 28 .   ? 12.473  -11.639 8.454   1.00 1.65  1   BA 1 
HETATM 2914 C C23   . LIG_BA BA 28 .   ? 12.507  -10.352 8.536   1.00 1.59  1   BA 1 
HETATM 2915 N N1    . LIG_BA BA 28 .   ? 11.820  -9.669  8.237   1.00 3.12  1   BA 1 
HETATM 2916 O O7    . LIG_BA BA 28 .   ? 7.122   -13.502 10.431  1.00 1.45  1   BA 1 
HETATM 2917 C C24   . LIG_BA BA 28 .   ? 7.127   -13.985 11.589  1.00 1.33  1   BA 1 
HETATM 2918 O O8    . LIG_BA BA 28 .   ? 8.133   -14.074 12.234  1.00 1.38  1   BA 1 
HETATM 2919 C C25   . LIG_BA BA 28 .   ? 5.983   -14.267 12.081  1.00 1.34  1   BA 1 
HETATM 2920 C C26   . LIG_BA BA 28 .   ? 5.409   -14.001 13.008  1.00 1.54  1   BA 1 
HETATM 2921 C C27   . LIG_BA BA 28 .   ? 4.609   -13.901 13.756  1.00 1.56  1   BA 1 
HETATM 2922 C C28   . LIG_BA BA 28 .   ? 3.928   -13.706 14.604  1.00 1.43  1   BA 1 
HETATM 2923 C C29   . LIG_BA BA 28 .   ? 3.165   -13.595 15.406  1.00 1.48  1   BA 1 
HETATM 2924 C C30   . LIG_BA BA 28 .   ? 2.438   -13.493 16.239  1.00 1.55  1   BA 1 
HETATM 2925 C C31   . LIG_BA BA 28 .   ? 1.706   -13.416 17.073  1.00 1.50  1   BA 1 
HETATM 2926 C C32   . LIG_BA BA 28 .   ? 1.010   -13.367 17.921  1.00 1.53  1   BA 1 
HETATM 2927 C C33   . LIG_BA BA 28 .   ? 0.325   -13.343 18.791  1.00 1.52  1   BA 1 
HETATM 2928 C C34   . LIG_BA BA 28 .   ? -0.354  -13.317 19.687  1.00 1.49  1   BA 1 
HETATM 2929 C C35   . LIG_BA BA 28 .   ? -1.002  -13.277 20.601  1.00 1.57  1   BA 1 
HETATM 2930 C C36   . LIG_BA BA 28 .   ? -1.633  -13.188 21.537  1.00 1.67  1   BA 1 
HETATM 2931 C C37   . LIG_BA BA 28 .   ? -2.245  -13.056 22.473  1.00 1.69  1   BA 1 
HETATM 2932 C C38   . LIG_BA BA 28 .   ? -2.853  -12.866 23.405  1.00 1.47  1   BA 1 
HETATM 2933 C C39   . LIG_BA BA 28 .   ? -3.444  -12.577 24.300  1.00 1.54  1   BA 1 
HETATM 2934 C C40   . LIG_BA BA 28 .   ? -3.985  -12.125 25.132  1.00 1.49  1   BA 1 
HETATM 2935 C C41   . LIG_BA BA 28 .   ? -4.470  -11.583 25.889  1.00 1.29  1   BA 1 
HETATM 2936 C C1    . LIG_DA DA 29 .   ? -13.661 -2.534  11.922  1.00 1.34  1   DA 1 
HETATM 2937 C C2    . LIG_DA DA 29 .   ? -14.123 -2.017  12.991  1.00 1.33  1   DA 1 
HETATM 2938 C C3    . LIG_DA DA 29 .   ? -14.903 -2.329  13.794  1.00 1.28  1   DA 1 
HETATM 2939 C C4    . LIG_DA DA 29 .   ? -15.501 -1.996  14.771  1.00 1.25  1   DA 1 
HETATM 2940 C C5    . LIG_DA DA 29 .   ? -16.325 -2.345  15.484  1.00 1.24  1   DA 1 
HETATM 2941 C C6    . LIG_DA DA 29 .   ? -17.092 -2.222  16.318  1.00 1.20  1   DA 1 
HETATM 2942 C C7    . LIG_DA DA 29 .   ? -17.928 -2.511  16.967  1.00 1.22  1   DA 1 
HETATM 2943 C C8    . LIG_DA DA 29 .   ? -18.711 -2.504  17.748  1.00 1.26  1   DA 1 
HETATM 2944 C C9    . LIG_DA DA 29 .   ? -19.466 -2.843  18.444  1.00 1.33  1   DA 1 
HETATM 2945 C C10   . LIG_DA DA 29 .   ? -20.176 -2.978  19.274  1.00 1.31  1   DA 1 
HETATM 2946 C C11   . LIG_DA DA 29 .   ? -20.880 -3.413  20.008  1.00 1.31  1   DA 1 
HETATM 2947 C C12   . LIG_DA DA 29 .   ? -21.583 -3.279  20.940  1.00 1.40  1   DA 1 
HETATM 2948 C C13   . LIG_DA DA 29 .   ? -22.218 -3.966  21.691  1.00 1.30  1   DA 1 
HETATM 2949 C C14   . LIG_DA DA 29 .   ? -22.839 -3.632  22.706  1.00 1.31  1   DA 1 
HETATM 2950 C C15   . LIG_DA DA 29 .   ? -23.469 -4.286  23.553  1.00 1.36  1   DA 1 
HETATM 2951 C C16   . LIG_DA DA 29 .   ? -23.958 -3.703  24.626  1.00 1.34  1   DA 1 
HETATM 2952 C C17   . LIG_DA DA 29 .   ? -24.811 -4.299  25.435  1.00 1.22  1   DA 1 
HETATM 2953 C C18   . LIG_DA DA 29 .   ? -24.352 -5.418  26.082  1.00 1.22  1   DA 1 
HETATM 2954 O O1    . LIG_DA DA 29 .   ? -23.371 -5.438  26.727  1.00 1.39  1   DA 1 
HETATM 2955 O O2    . LIG_DA DA 29 .   ? -25.093 -6.382  25.907  1.00 1.41  1   DA 1 
HETATM 2956 C C19   . LIG_DA DA 29 .   ? -24.893 -7.453  26.666  1.00 1.19  1   DA 1 
HETATM 2957 C C20   . LIG_DA DA 29 .   ? -25.243 -8.682  25.934  1.00 1.23  1   DA 1 
HETATM 2958 C C21   . LIG_DA DA 29 .   ? -25.764 -9.713  26.855  1.00 1.21  1   DA 1 
HETATM 2959 O O3    . LIG_DA DA 29 .   ? -26.395 -9.139  27.929  1.00 1.21  1   DA 1 
HETATM 2960 P P1    . LIG_DA DA 29 .   ? -27.690 -9.787  28.593  1.00 1.29  1   DA 1 
HETATM 2961 O O4    . LIG_DA DA 29 .   ? -27.243 -11.104 28.997  1.00 1.20  1   DA 1 
HETATM 2962 O O5    . LIG_DA DA 29 .   ? -28.015 -8.919  29.657  1.00 1.20  1   DA 1 
HETATM 2963 O O6    . LIG_DA DA 29 .   ? -28.659 -9.855  27.556  1.00 1.26  1   DA 1 
HETATM 2964 O O7    . LIG_DA DA 29 .   ? -24.042 -9.141  25.379  1.00 1.27  1   DA 1 
HETATM 2965 C C22   . LIG_DA DA 29 .   ? -24.096 -9.477  24.178  1.00 1.31  1   DA 1 
HETATM 2966 O O8    . LIG_DA DA 29 .   ? -25.127 -9.550  23.586  1.00 1.27  1   DA 1 
HETATM 2967 C C23   . LIG_DA DA 29 .   ? -22.852 -9.721  23.621  1.00 1.21  1   DA 1 
HETATM 2968 C C24   . LIG_DA DA 29 .   ? -22.848 -9.820  22.301  1.00 1.28  1   DA 1 
HETATM 2969 C C25   . LIG_DA DA 29 .   ? -23.037 -8.708  21.610  1.00 1.28  1   DA 1 
HETATM 2970 C C26   . LIG_DA DA 29 .   ? -22.771 -8.751  20.341  1.00 1.29  1   DA 1 
HETATM 2971 C C27   . LIG_DA DA 29 .   ? -23.017 -7.759  19.558  1.00 1.27  1   DA 1 
HETATM 2972 C C28   . LIG_DA DA 29 .   ? -22.778 -7.788  18.331  1.00 1.22  1   DA 1 
HETATM 2973 C C29   . LIG_DA DA 29 .   ? -22.986 -7.069  17.434  1.00 1.23  1   DA 1 
HETATM 2974 C C30   . LIG_DA DA 29 .   ? -22.830 -7.025  16.268  1.00 1.26  1   DA 1 
HETATM 2975 C C31   . LIG_DA DA 29 .   ? -22.735 -6.874  15.248  1.00 1.26  1   DA 1 
HETATM 2976 C C32   . LIG_DA DA 29 .   ? -22.451 -6.784  14.177  1.00 1.29  1   DA 1 
HETATM 2977 C C33   . LIG_DA DA 29 .   ? -21.605 -6.612  13.551  1.00 1.24  1   DA 1 
HETATM 2978 C C34   . LIG_DA DA 29 .   ? -20.967 -6.136  12.873  1.00 1.25  1   DA 1 
HETATM 2979 C C35   . LIG_DA DA 29 .   ? -19.951 -5.747  12.734  1.00 1.27  1   DA 1 
HETATM 2980 C C36   . LIG_DA DA 29 .   ? -19.083 -5.230  12.547  1.00 1.31  1   DA 1 
HETATM 2981 C C37   . LIG_DA DA 29 .   ? -17.990 -5.022  12.523  1.00 1.35  1   DA 1 
HETATM 2982 C C38   . LIG_DA DA 29 .   ? -17.510 -4.081  12.943  1.00 1.30  1   DA 1 
HETATM 2983 C C39   . LIG_DA DA 29 .   ? -18.348 -3.214  13.490  1.00 1.40  1   DA 1 
HETATM 2984 C C1    . LIG_AB AB 30 .   ? -28.680 -2.679  8.712   1.00 1.74  1   AB 1 
HETATM 2985 C C2    . LIG_AB AB 30 .   ? -28.368 -3.663  9.035   1.00 1.85  1   AB 1 
HETATM 2986 C C3    . LIG_AB AB 30 .   ? -27.731 -4.490  8.571   1.00 1.79  1   AB 1 
HETATM 2987 C C4    . LIG_AB AB 30 .   ? -27.158 -4.875  7.678   1.00 1.99  1   AB 1 
HETATM 2988 C C5    . LIG_AB AB 30 .   ? -26.595 -5.187  6.761   1.00 1.77  1   AB 1 
HETATM 2989 C C6    . LIG_AB AB 30 .   ? -26.070 -5.334  5.752   1.00 1.60  1   AB 1 
HETATM 2990 C C7    . LIG_AB AB 30 .   ? -25.590 -5.414  4.749   1.00 1.54  1   AB 1 
HETATM 2991 C C8    . LIG_AB AB 30 .   ? -25.137 -5.411  3.715   1.00 1.52  1   AB 1 
HETATM 2992 C C9    . LIG_AB AB 30 .   ? -24.683 -5.367  2.707   1.00 1.55  1   AB 1 
HETATM 2993 C C10   . LIG_AB AB 30 .   ? -24.218 -5.318  1.658   1.00 1.64  1   AB 1 
HETATM 2994 C C11   . LIG_AB AB 30 .   ? -23.772 -5.268  0.635   1.00 1.55  1   AB 1 
HETATM 2995 C C12   . LIG_AB AB 30 .   ? -23.354 -5.218  -0.413  1.00 1.62  1   AB 1 
HETATM 2996 C C13   . LIG_AB AB 30 .   ? -22.949 -5.208  -1.444  1.00 1.32  1   AB 1 
HETATM 2997 C C14   . LIG_AB AB 30 .   ? -22.529 -5.187  -2.493  1.00 1.30  1   AB 1 
HETATM 2998 C C15   . LIG_AB AB 30 .   ? -22.118 -5.232  -3.490  1.00 1.31  1   AB 1 
HETATM 2999 C C16   . LIG_AB AB 30 .   ? -21.695 -5.242  -4.557  1.00 1.30  1   AB 1 
HETATM 3000 C C17   . LIG_AB AB 30 .   ? -21.319 -5.408  -5.495  1.00 1.21  1   AB 1 
HETATM 3001 C C18   . LIG_AB AB 30 .   ? -20.910 -5.322  -6.690  1.00 1.24  1   AB 1 
HETATM 3002 O O1    . LIG_AB AB 30 .   ? -21.255 -6.078  -7.494  1.00 1.57  1   AB 1 
HETATM 3003 O O2    . LIG_AB AB 30 .   ? -20.169 -4.366  -6.892  1.00 1.51  1   AB 1 
HETATM 3004 C C19   . LIG_AB AB 30 .   ? -19.770 -4.159  -8.129  1.00 1.19  1   AB 1 
HETATM 3005 C C20   . LIG_AB AB 30 .   ? -19.701 -2.754  -8.483  1.00 1.23  1   AB 1 
HETATM 3006 C C21   . LIG_AB AB 30 .   ? -18.803 -2.533  -9.627  1.00 1.23  1   AB 1 
HETATM 3007 O O3    . LIG_AB AB 30 .   ? -19.094 -3.422  -10.559 1.00 1.25  1   AB 1 
HETATM 3008 P P1    . LIG_AB AB 30 .   ? -18.496 -3.323  -11.974 1.00 1.20  1   AB 1 
HETATM 3009 O O4    . LIG_AB AB 30 .   ? -18.531 -1.982  -12.392 1.00 1.16  1   AB 1 
HETATM 3010 O O5    . LIG_AB AB 30 .   ? -17.316 -4.065  -12.019 1.00 1.17  1   AB 1 
HETATM 3011 O O6    . LIG_AB AB 30 .   ? -19.590 -4.130  -12.679 1.00 1.23  1   AB 1 
HETATM 3012 C C22   . LIG_AB AB 30 .   ? -20.159 -3.788  -13.751 1.00 1.26  1   AB 1 
HETATM 3013 C C23   . LIG_AB AB 30 .   ? -21.270 -4.550  -14.009 1.00 1.26  1   AB 1 
HETATM 3014 N N1    . LIG_AB AB 30 .   ? -22.451 -4.234  -13.395 1.00 1.79  1   AB 1 
HETATM 3015 C C24   . LIG_AB AB 30 .   ? -23.443 -4.151  -14.359 1.00 1.36  1   AB 1 
HETATM 3016 C C25   . LIG_AB AB 30 .   ? -22.358 -2.991  -12.719 1.00 1.38  1   AB 1 
HETATM 3017 C C26   . LIG_AB AB 30 .   ? -22.732 -5.255  -12.471 1.00 1.43  1   AB 1 
HETATM 3018 O O7    . LIG_AB AB 30 .   ? -19.165 -2.058  -7.413  1.00 1.35  1   AB 1 
HETATM 3019 C C27   . LIG_AB AB 30 .   ? -19.928 -1.169  -6.969  1.00 1.40  1   AB 1 
HETATM 3020 O O8    . LIG_AB AB 30 .   ? -20.841 -0.747  -7.614  1.00 1.33  1   AB 1 
HETATM 3021 C C28   . LIG_AB AB 30 .   ? -19.712 -0.799  -5.755  1.00 1.30  1   AB 1 
HETATM 3022 C C29   . LIG_AB AB 30 .   ? -20.391 -0.701  -4.836  1.00 1.40  1   AB 1 
HETATM 3023 C C30   . LIG_AB AB 30 .   ? -20.979 -0.647  -3.905  1.00 1.40  1   AB 1 
HETATM 3024 C C31   . LIG_AB AB 30 .   ? -21.643 -0.561  -2.991  1.00 1.39  1   AB 1 
HETATM 3025 C C32   . LIG_AB AB 30 .   ? -22.253 -0.456  -2.073  1.00 1.55  1   AB 1 
HETATM 3026 C C33   . LIG_AB AB 30 .   ? -22.883 -0.330  -1.136  1.00 1.48  1   AB 1 
HETATM 3027 C C34   . LIG_AB AB 30 .   ? -23.495 -0.194  -0.183  1.00 1.46  1   AB 1 
HETATM 3028 C C35   . LIG_AB AB 30 .   ? -24.118 -0.063  0.774   1.00 1.47  1   AB 1 
HETATM 3029 C C36   . LIG_AB AB 30 .   ? -24.747 0.057   1.733   1.00 1.51  1   AB 1 
HETATM 3030 C C37   . LIG_AB AB 30 .   ? -25.390 0.130   2.707   1.00 1.52  1   AB 1 
HETATM 3031 C C38   . LIG_AB AB 30 .   ? -26.048 0.146   3.681   1.00 1.44  1   AB 1 
HETATM 3032 C C39   . LIG_AB AB 30 .   ? -26.727 0.106   4.669   1.00 1.48  1   AB 1 
HETATM 3033 C C40   . LIG_AB AB 30 .   ? -27.384 -0.021  5.626   1.00 1.68  1   AB 1 
HETATM 3034 C C41   . LIG_AB AB 30 .   ? -28.063 -0.177  6.566   1.00 1.44  1   AB 1 
HETATM 3035 C C42   . LIG_AB AB 30 .   ? -28.723 -0.340  7.440   1.00 1.45  1   AB 1 
HETATM 3036 C C43   . LIG_AB AB 30 .   ? -29.444 -0.383  8.290   1.00 1.35  1   AB 1 
HETATM 3037 C C44   . LIG_AB AB 30 .   ? -30.255 -0.337  9.194   1.00 1.43  1   AB 1 
HETATM 3038 C C1    . LIG_BB BB 31 .   ? -5.625  5.046   11.077  1.00 1.68  1   BB 1 
HETATM 3039 C C2    . LIG_BB BB 31 .   ? -6.084  4.536   11.925  1.00 1.75  1   BB 1 
HETATM 3040 C C3    . LIG_BB BB 31 .   ? -6.065  3.492   12.133  1.00 1.74  1   BB 1 
HETATM 3041 C C4    . LIG_BB BB 31 .   ? -5.779  2.480   11.808  1.00 1.91  1   BB 1 
HETATM 3042 C C5    . LIG_BB BB 31 .   ? -5.573  1.452   11.491  1.00 1.81  1   BB 1 
HETATM 3043 C C6    . LIG_BB BB 31 .   ? -5.370  0.501   10.980  1.00 1.71  1   BB 1 
HETATM 3044 C C7    . LIG_BB BB 31 .   ? -5.185  -0.330  10.309  1.00 1.64  1   BB 1 
HETATM 3045 C C8    . LIG_BB BB 31 .   ? -4.945  -0.923  9.433   1.00 1.65  1   BB 1 
HETATM 3046 C C9    . LIG_BB BB 31 .   ? -4.668  -1.367  8.508   1.00 1.76  1   BB 1 
HETATM 3047 C C10   . LIG_BB BB 31 .   ? -4.308  -1.718  7.500   1.00 1.83  1   BB 1 
HETATM 3048 C C11   . LIG_BB BB 31 .   ? -3.916  -1.997  6.537   1.00 1.81  1   BB 1 
HETATM 3049 C C12   . LIG_BB BB 31 .   ? -3.404  -2.285  5.597   1.00 1.99  1   BB 1 
HETATM 3050 C C13   . LIG_BB BB 31 .   ? -2.877  -2.587  4.688   1.00 1.59  1   BB 1 
HETATM 3051 C C14   . LIG_BB BB 31 .   ? -2.237  -2.877  3.812   1.00 1.66  1   BB 1 
HETATM 3052 C C15   . LIG_BB BB 31 .   ? -1.638  -3.207  2.975   1.00 1.67  1   BB 1 
HETATM 3053 C C16   . LIG_BB BB 31 .   ? -0.888  -3.493  2.162   1.00 1.80  1   BB 1 
HETATM 3054 C C17   . LIG_BB BB 31 .   ? -0.422  -3.828  1.289   1.00 1.59  1   BB 1 
HETATM 3055 C C18   . LIG_BB BB 31 .   ? 0.631   -4.032  0.580   1.00 1.86  1   BB 1 
HETATM 3056 O O1    . LIG_BB BB 31 .   ? 1.702   -3.951  1.072   1.00 2.47  1   BB 1 
HETATM 3057 O O2    . LIG_BB BB 31 .   ? 0.421   -4.285  -0.587  1.00 2.30  1   BB 1 
HETATM 3058 C C19   . LIG_BB BB 31 .   ? 1.494   -4.440  -1.327  1.00 1.76  1   BB 1 
HETATM 3059 C C20   . LIG_BB BB 31 .   ? 1.362   -3.813  -2.621  1.00 2.35  1   BB 1 
HETATM 3060 C C21   . LIG_BB BB 31 .   ? 2.572   -4.112  -3.408  1.00 2.27  1   BB 1 
HETATM 3061 O O3    . LIG_BB BB 31 .   ? 2.197   -4.580  -4.586  1.00 2.55  1   BB 1 
HETATM 3062 P P1    . LIG_BB BB 31 .   ? 3.149   -4.463  -5.774  1.00 3.36  1   BB 1 
HETATM 3063 O O4    . LIG_BB BB 31 .   ? 3.540   -3.099  -5.905  1.00 2.80  1   BB 1 
HETATM 3064 O O5    . LIG_BB BB 31 .   ? 4.118   -5.472  -5.693  1.00 3.48  1   BB 1 
HETATM 3065 O O6    . LIG_BB BB 31 .   ? 2.127   -4.835  -6.866  1.00 2.66  1   BB 1 
HETATM 3066 C C22   . LIG_BB BB 31 .   ? 2.027   -4.263  -7.986  1.00 2.93  1   BB 1 
HETATM 3067 C C23   . LIG_BB BB 31 .   ? 0.763   -4.057  -8.226  1.00 2.91  1   BB 1 
HETATM 3068 N N1    . LIG_BB BB 31 .   ? 0.133   -3.618  -7.716  1.00 6.50  1   BB 1 
HETATM 3069 O O7    . LIG_BB BB 31 .   ? 1.303   -2.448  -2.456  1.00 2.32  1   BB 1 
HETATM 3070 C C24   . LIG_BB BB 31 .   ? 0.403   -1.855  -3.093  1.00 2.62  1   BB 1 
HETATM 3071 O O8    . LIG_BB BB 31 .   ? -0.207  -2.357  -3.983  1.00 1.91  1   BB 1 
HETATM 3072 C C25   . LIG_BB BB 31 .   ? 0.159   -0.676  -2.675  1.00 2.88  1   BB 1 
HETATM 3073 C C26   . LIG_BB BB 31 .   ? -0.655  -0.247  -2.058  1.00 3.13  1   BB 1 
HETATM 3074 C C27   . LIG_BB BB 31 .   ? -1.136  0.170   -1.200  1.00 3.09  1   BB 1 
HETATM 3075 C C28   . LIG_BB BB 31 .   ? -1.587  0.528   -0.293  1.00 2.25  1   BB 1 
HETATM 3076 C C29   . LIG_BB BB 31 .   ? -1.781  0.933   0.691   1.00 2.31  1   BB 1 
HETATM 3077 C C30   . LIG_BB BB 31 .   ? -1.758  1.341   1.667   1.00 2.28  1   BB 1 
HETATM 3078 C C31   . LIG_BB BB 31 .   ? -1.504  1.765   2.622   1.00 2.20  1   BB 1 
HETATM 3079 C C32   . LIG_BB BB 31 .   ? -1.040  2.150   3.485   1.00 2.25  1   BB 1 
HETATM 3080 C C33   . LIG_BB BB 31 .   ? -0.620  2.631   4.317   1.00 2.31  1   BB 1 
HETATM 3081 C C34   . LIG_BB BB 31 .   ? -0.212  3.177   5.122   1.00 2.20  1   BB 1 
HETATM 3082 C C35   . LIG_BB BB 31 .   ? -0.055  3.835   5.927   1.00 2.09  1   BB 1 
HETATM 3083 C C36   . LIG_BB BB 31 .   ? -0.389  4.519   6.665   1.00 2.26  1   BB 1 
HETATM 3084 C C37   . LIG_BB BB 31 .   ? -1.076  5.098   7.296   1.00 2.22  1   BB 1 
HETATM 3085 C C38   . LIG_BB BB 31 .   ? -1.874  5.567   7.908   1.00 1.81  1   BB 1 
HETATM 3086 C C39   . LIG_BB BB 31 .   ? -2.747  5.957   8.498   1.00 1.92  1   BB 1 
HETATM 3087 C C40   . LIG_BB BB 31 .   ? -3.579  6.247   9.080   1.00 1.71  1   BB 1 
HETATM 3088 C C41   . LIG_BB BB 31 .   ? -4.409  6.440   9.659   1.00 1.44  1   BB 1 
HETATM 3089 C C1    . LIG_DB DB 32 .   ? -32.571 -5.805  9.258   1.00 1.59  1   DB 1 
HETATM 3090 C C2    . LIG_DB DB 32 .   ? -33.089 -4.764  8.611   1.00 1.45  1   DB 1 
HETATM 3091 C C3    . LIG_DB DB 32 .   ? -33.062 -4.771  7.351   1.00 1.44  1   DB 1 
HETATM 3092 C C4    . LIG_DB DB 32 .   ? -32.154 -5.218  6.706   1.00 1.37  1   DB 1 
HETATM 3093 C C5    . LIG_DB DB 32 .   ? -31.825 -5.575  5.674   1.00 1.33  1   DB 1 
HETATM 3094 C C6    . LIG_DB DB 32 .   ? -31.267 -6.015  4.889   1.00 1.27  1   DB 1 
HETATM 3095 C C7    . LIG_DB DB 32 .   ? -31.025 -6.472  3.955   1.00 1.24  1   DB 1 
HETATM 3096 C C8    . LIG_DB DB 32 .   ? -30.709 -6.876  3.065   1.00 1.27  1   DB 1 
HETATM 3097 C C9    . LIG_DB DB 32 .   ? -30.644 -7.428  2.181   1.00 1.27  1   DB 1 
HETATM 3098 C C10   . LIG_DB DB 32 .   ? -30.486 -7.934  1.281   1.00 1.30  1   DB 1 
HETATM 3099 C C11   . LIG_DB DB 32 .   ? -30.362 -8.522  0.409   1.00 1.26  1   DB 1 
HETATM 3100 C C12   . LIG_DB DB 32 .   ? -29.922 -8.772  -0.586  1.00 1.31  1   DB 1 
HETATM 3101 C C13   . LIG_DB DB 32 .   ? -29.801 -9.521  -1.452  1.00 1.20  1   DB 1 
HETATM 3102 C C14   . LIG_DB DB 32 .   ? -29.250 -9.453  -2.526  1.00 1.21  1   DB 1 
HETATM 3103 C C15   . LIG_DB DB 32 .   ? -29.165 -10.318 -3.411  1.00 1.23  1   DB 1 
HETATM 3104 C C16   . LIG_DB DB 32 .   ? -28.715 -10.031 -4.585  1.00 1.26  1   DB 1 
HETATM 3105 C C17   . LIG_DB DB 32 .   ? -28.466 -10.971 -5.456  1.00 1.17  1   DB 1 
HETATM 3106 C C18   . LIG_DB DB 32 .   ? -28.202 -10.619 -6.733  1.00 1.19  1   DB 1 
HETATM 3107 O O1    . LIG_DB DB 32 .   ? -28.873 -11.039 -7.613  1.00 1.30  1   DB 1 
HETATM 3108 O O2    . LIG_DB DB 32 .   ? -27.239 -9.856  -6.936  1.00 1.27  1   DB 1 
HETATM 3109 C C19   . LIG_DB DB 32 .   ? -26.889 -9.721  -8.216  1.00 1.13  1   DB 1 
HETATM 3110 C C20   . LIG_DB DB 32 .   ? -26.318 -8.428  -8.538  1.00 1.15  1   DB 1 
HETATM 3111 C C21   . LIG_DB DB 32 .   ? -25.322 -8.586  -9.610  1.00 1.13  1   DB 1 
HETATM 3112 O O3    . LIG_DB DB 32 .   ? -25.877 -8.250  -10.790 1.00 1.16  1   DB 1 
HETATM 3113 P P1    . LIG_DB DB 32 .   ? -25.134 -8.446  -12.151 1.00 1.16  1   DB 1 
HETATM 3114 O O4    . LIG_DB DB 32 .   ? -23.726 -8.520  -11.835 1.00 1.14  1   DB 1 
HETATM 3115 O O5    . LIG_DB DB 32 .   ? -25.493 -7.312  -12.912 1.00 1.13  1   DB 1 
HETATM 3116 O O6    . LIG_DB DB 32 .   ? -25.638 -9.690  -12.669 1.00 1.18  1   DB 1 
HETATM 3117 O O7    . LIG_DB DB 32 .   ? -25.627 -7.943  -7.433  1.00 1.21  1   DB 1 
HETATM 3118 C C22   . LIG_DB DB 32 .   ? -26.003 -6.825  -7.062  1.00 1.25  1   DB 1 
HETATM 3119 O O8    . LIG_DB DB 32 .   ? -26.731 -6.168  -7.723  1.00 1.19  1   DB 1 
HETATM 3120 C C23   . LIG_DB DB 32 .   ? -25.556 -6.423  -5.849  1.00 1.19  1   DB 1 
HETATM 3121 C C24   . LIG_DB DB 32 .   ? -26.569 -6.074  -5.102  1.00 1.25  1   DB 1 
HETATM 3122 C C25   . LIG_DB DB 32 .   ? -26.410 -5.556  -4.005  1.00 1.27  1   DB 1 
HETATM 3123 C C26   . LIG_DB DB 32 .   ? -27.364 -5.236  -3.237  1.00 1.26  1   DB 1 
HETATM 3124 C C27   . LIG_DB DB 32 .   ? -27.153 -4.419  -2.308  1.00 1.22  1   DB 1 
HETATM 3125 C C28   . LIG_DB DB 32 .   ? -27.959 -3.974  -1.474  1.00 1.17  1   DB 1 
HETATM 3126 C C29   . LIG_DB DB 32 .   ? -27.825 -3.006  -0.775  1.00 1.18  1   DB 1 
HETATM 3127 C C30   . LIG_DB DB 32 .   ? -28.329 -2.337  -0.049  1.00 1.23  1   DB 1 
HETATM 3128 C C31   . LIG_DB DB 32 .   ? -28.582 -1.451  0.534   1.00 1.21  1   DB 1 
HETATM 3129 C C32   . LIG_DB DB 32 .   ? -29.206 -0.841  1.205   1.00 1.22  1   DB 1 
HETATM 3130 C C33   . LIG_DB DB 32 .   ? -29.697 -0.010  1.626   1.00 1.20  1   DB 1 
HETATM 3131 C C34   . LIG_DB DB 32 .   ? -30.401 0.531   2.305   1.00 1.24  1   DB 1 
HETATM 3132 C C35   . LIG_DB DB 32 .   ? -30.810 1.425   2.682   1.00 1.27  1   DB 1 
HETATM 3133 C C36   . LIG_DB DB 32 .   ? -31.382 2.145   3.411   1.00 1.31  1   DB 1 
HETATM 3134 C C37   . LIG_DB DB 32 .   ? -31.353 3.367   3.420   1.00 1.37  1   DB 1 
HETATM 3135 C C38   . LIG_DB DB 32 .   ? -31.829 4.262   4.101   1.00 1.32  1   DB 1 
HETATM 3136 C C39   . LIG_DB DB 32 .   ? -31.667 5.536   3.891   1.00 1.27  1   DB 1 
HETATM 3137 C C1    . LIG_AC AC 33 .   ? -14.985 2.685   9.689   1.00 1.74  1   AC 1 
HETATM 3138 C C2    . LIG_AC AC 33 .   ? -14.839 1.832   10.235  1.00 1.72  1   AC 1 
HETATM 3139 C C3    . LIG_AC AC 33 .   ? -14.171 0.986   10.044  1.00 1.68  1   AC 1 
HETATM 3140 C C4    . LIG_AC AC 33 .   ? -13.436 0.430   9.456   1.00 1.82  1   AC 1 
HETATM 3141 C C5    . LIG_AC AC 33 .   ? -12.688 -0.092  8.833   1.00 1.74  1   AC 1 
HETATM 3142 C C6    . LIG_AC AC 33 .   ? -11.955 -0.544  8.129   1.00 1.56  1   AC 1 
HETATM 3143 C C7    . LIG_AC AC 33 .   ? -11.220 -0.943  7.407   1.00 1.51  1   AC 1 
HETATM 3144 C C8    . LIG_AC AC 33 .   ? -10.481 -1.288  6.645   1.00 1.53  1   AC 1 
HETATM 3145 C C9    . LIG_AC AC 33 .   ? -9.750  -1.632  5.905   1.00 1.60  1   AC 1 
HETATM 3146 C C10   . LIG_AC AC 33 .   ? -8.981  -1.965  5.132   1.00 1.84  1   AC 1 
HETATM 3147 C C11   . LIG_AC AC 33 .   ? -8.241  -2.274  4.359   1.00 1.75  1   AC 1 
HETATM 3148 C C12   . LIG_AC AC 33 .   ? -7.504  -2.580  3.530   1.00 1.93  1   AC 1 
HETATM 3149 C C13   . LIG_AC AC 33 .   ? -6.788  -2.876  2.713   1.00 1.51  1   AC 1 
HETATM 3150 C C14   . LIG_AC AC 33 .   ? -6.108  -3.153  1.820   1.00 1.51  1   AC 1 
HETATM 3151 C C15   . LIG_AC AC 33 .   ? -5.436  -3.463  1.009   1.00 1.55  1   AC 1 
HETATM 3152 C C16   . LIG_AC AC 33 .   ? -4.765  -3.753  0.095   1.00 1.59  1   AC 1 
HETATM 3153 C C17   . LIG_AC AC 33 .   ? -4.078  -4.110  -0.602  1.00 1.42  1   AC 1 
HETATM 3154 C C18   . LIG_AC AC 33 .   ? -3.405  -4.363  -1.685  1.00 1.51  1   AC 1 
HETATM 3155 O O1    . LIG_AC AC 33 .   ? -2.315  -4.781  -1.648  1.00 2.03  1   AC 1 
HETATM 3156 O O2    . LIG_AC AC 33 .   ? -4.034  -4.134  -2.698  1.00 1.95  1   AC 1 
HETATM 3157 C C19   . LIG_AC AC 33 .   ? -3.390  -4.206  -3.859  1.00 1.41  1   AC 1 
HETATM 3158 C C20   . LIG_AC AC 33 .   ? -4.206  -3.579  -4.896  1.00 1.67  1   AC 1 
HETATM 3159 C C21   . LIG_AC AC 33 .   ? -3.461  -3.543  -6.167  1.00 1.62  1   AC 1 
HETATM 3160 O O3    . LIG_AC AC 33 .   ? -4.291  -3.114  -7.118  1.00 1.78  1   AC 1 
HETATM 3161 P P1    . LIG_AC AC 33 .   ? -3.813  -2.796  -8.537  1.00 1.86  1   AC 1 
HETATM 3162 O O4    . LIG_AC AC 33 .   ? -2.591  -2.077  -8.491  1.00 1.92  1   AC 1 
HETATM 3163 O O5    . LIG_AC AC 33 .   ? -4.908  -2.271  -9.237  1.00 2.28  1   AC 1 
HETATM 3164 O O6    . LIG_AC AC 33 .   ? -3.517  -4.220  -9.024  1.00 1.72  1   AC 1 
HETATM 3165 C C22   . LIG_AC AC 33 .   ? -3.456  -4.463  -10.213 1.00 1.97  1   AC 1 
HETATM 3166 C C23   . LIG_AC AC 33 .   ? -3.188  -5.778  -10.494 1.00 1.91  1   AC 1 
HETATM 3167 N N1    . LIG_AC AC 33 .   ? -3.848  -6.279  -11.583 1.00 2.99  1   AC 1 
HETATM 3168 C C24   . LIG_AC AC 33 .   ? -3.470  -7.626  -11.721 1.00 2.21  1   AC 1 
HETATM 3169 C C25   . LIG_AC AC 33 .   ? -3.476  -5.557  -12.738 1.00 2.28  1   AC 1 
HETATM 3170 C C26   . LIG_AC AC 33 .   ? -5.241  -6.181  -11.379 1.00 2.27  1   AC 1 
HETATM 3171 O O7    . LIG_AC AC 33 .   ? -4.472  -2.286  -4.491  1.00 1.84  1   AC 1 
HETATM 3172 C C27   . LIG_AC AC 33 .   ? -5.673  -2.073  -4.148  1.00 1.97  1   AC 1 
HETATM 3173 O O8    . LIG_AC AC 33 .   ? -6.544  -2.839  -4.452  1.00 1.62  1   AC 1 
HETATM 3174 C C28   . LIG_AC AC 33 .   ? -5.865  -1.038  -3.403  1.00 1.67  1   AC 1 
HETATM 3175 C C29   . LIG_AC AC 33 .   ? -6.561  -0.736  -2.548  1.00 1.74  1   AC 1 
HETATM 3176 C C30   . LIG_AC AC 33 .   ? -7.105  -0.266  -1.713  1.00 1.75  1   AC 1 
HETATM 3177 C C31   . LIG_AC AC 33 .   ? -7.785  0.068   -0.887  1.00 1.60  1   AC 1 
HETATM 3178 C C32   . LIG_AC AC 33 .   ? -8.440  0.415   -0.080  1.00 1.77  1   AC 1 
HETATM 3179 C C33   . LIG_AC AC 33 .   ? -9.140  0.745   0.732   1.00 1.69  1   AC 1 
HETATM 3180 C C34   . LIG_AC AC 33 .   ? -9.817  1.123   1.553   1.00 1.67  1   AC 1 
HETATM 3181 C C35   . LIG_AC AC 33 .   ? -10.472 1.526   2.379   1.00 1.61  1   AC 1 
HETATM 3182 C C36   . LIG_AC AC 33 .   ? -11.109 1.963   3.215   1.00 1.69  1   AC 1 
HETATM 3183 C C37   . LIG_AC AC 33 .   ? -11.721 2.430   4.052   1.00 1.70  1   AC 1 
HETATM 3184 C C38   . LIG_AC AC 33 .   ? -12.345 2.878   4.897   1.00 1.52  1   AC 1 
HETATM 3185 C C39   . LIG_AC AC 33 .   ? -12.992 3.287   5.760   1.00 1.59  1   AC 1 
HETATM 3186 C C40   . LIG_AC AC 33 .   ? -13.636 3.623   6.612   1.00 1.69  1   AC 1 
HETATM 3187 C C41   . LIG_AC AC 33 .   ? -14.303 3.907   7.466   1.00 1.41  1   AC 1 
HETATM 3188 C C42   . LIG_AC AC 33 .   ? -14.942 4.147   8.280   1.00 1.37  1   AC 1 
HETATM 3189 C C43   . LIG_AC AC 33 .   ? -15.621 4.490   9.030   1.00 1.33  1   AC 1 
HETATM 3190 C C44   . LIG_AC AC 33 .   ? -16.403 4.905   9.791   1.00 1.39  1   AC 1 
HETATM 3191 C C1    . LIG_BC BC 34 .   ? -29.441 -13.876 14.550  1.00 1.34  1   BC 1 
HETATM 3192 C C2    . LIG_BC BC 34 .   ? -29.229 -13.990 13.279  1.00 1.39  1   BC 1 
HETATM 3193 C C3    . LIG_BC BC 34 .   ? -30.022 -14.163 12.344  1.00 1.31  1   BC 1 
HETATM 3194 C C4    . LIG_BC BC 34 .   ? -29.681 -14.213 11.139  1.00 1.32  1   BC 1 
HETATM 3195 C C5    . LIG_BC BC 34 .   ? -30.427 -14.392 10.127  1.00 1.31  1   BC 1 
HETATM 3196 C C6    . LIG_BC BC 34 .   ? -29.934 -14.482 8.973   1.00 1.29  1   BC 1 
HETATM 3197 C C7    . LIG_BC BC 34 .   ? -28.721 -14.382 8.723   1.00 1.22  1   BC 1 
HETATM 3198 C C8    . LIG_BC BC 34 .   ? -28.266 -14.524 7.668   1.00 1.28  1   BC 1 
HETATM 3199 C C9    . LIG_BC BC 34 .   ? -28.469 -14.614 6.644   1.00 1.25  1   BC 1 
HETATM 3200 C C10   . LIG_BC BC 34 .   ? -28.343 -14.703 5.539   1.00 1.27  1   BC 1 
HETATM 3201 C C11   . LIG_BC BC 34 .   ? -28.579 -14.636 4.488   1.00 1.32  1   BC 1 
HETATM 3202 C C12   . LIG_BC BC 34 .   ? -28.262 -14.703 3.373   1.00 1.33  1   BC 1 
HETATM 3203 C C13   . LIG_BC BC 34 .   ? -28.831 -14.389 2.352   1.00 1.26  1   BC 1 
HETATM 3204 C C14   . LIG_BC BC 34 .   ? -28.501 -14.560 1.167   1.00 1.25  1   BC 1 
HETATM 3205 C C15   . LIG_BC BC 34 .   ? -29.316 -14.255 0.215   1.00 1.25  1   BC 1 
HETATM 3206 C C16   . LIG_BC BC 34 .   ? -29.050 -14.472 -1.040  1.00 1.25  1   BC 1 
HETATM 3207 C C17   . LIG_BC BC 34 .   ? -28.479 -15.646 -1.353  1.00 1.16  1   BC 1 
HETATM 3208 C C18   . LIG_BC BC 34 .   ? -28.391 -16.039 -2.631  1.00 1.19  1   BC 1 
HETATM 3209 O O1    . LIG_BC BC 34 .   ? -28.973 -17.006 -3.005  1.00 1.35  1   BC 1 
HETATM 3210 O O2    . LIG_BC BC 34 .   ? -27.731 -15.312 -3.358  1.00 1.31  1   BC 1 
HETATM 3211 C C19   . LIG_BC BC 34 .   ? -27.579 -15.722 -4.632  1.00 1.15  1   BC 1 
HETATM 3212 C C20   . LIG_BC BC 34 .   ? -26.622 -14.867 -5.304  1.00 1.17  1   BC 1 
HETATM 3213 C C21   . LIG_BC BC 34 .   ? -26.188 -15.348 -6.629  1.00 1.16  1   BC 1 
HETATM 3214 O O3    . LIG_BC BC 34 .   ? -27.035 -16.225 -7.147  1.00 1.18  1   BC 1 
HETATM 3215 P P1    . LIG_BC BC 34 .   ? -26.801 -16.802 -8.568  1.00 1.17  1   BC 1 
HETATM 3216 O O4    . LIG_BC BC 34 .   ? -26.320 -15.744 -9.422  1.00 1.13  1   BC 1 
HETATM 3217 O O5    . LIG_BC BC 34 .   ? -27.936 -17.541 -8.937  1.00 1.11  1   BC 1 
HETATM 3218 O O6    . LIG_BC BC 34 .   ? -25.588 -17.780 -8.291  1.00 1.15  1   BC 1 
HETATM 3219 C C22   . LIG_BC BC 34 .   ? -25.143 -18.624 -9.174  1.00 1.18  1   BC 1 
HETATM 3220 C C23   . LIG_BC BC 34 .   ? -24.277 -19.517 -8.539  1.00 1.14  1   BC 1 
HETATM 3221 N N1    . LIG_BC BC 34 .   ? -24.744 -19.998 -7.449  1.00 1.57  1   BC 1 
HETATM 3222 O O7    . LIG_BC BC 34 .   ? -25.464 -14.870 -4.535  1.00 1.18  1   BC 1 
HETATM 3223 C C24   . LIG_BC BC 34 .   ? -25.090 -13.764 -4.134  1.00 1.19  1   BC 1 
HETATM 3224 O O8    . LIG_BC BC 34 .   ? -25.655 -12.748 -4.415  1.00 1.17  1   BC 1 
HETATM 3225 C C25   . LIG_BC BC 34 .   ? -23.947 -13.844 -3.342  1.00 1.19  1   BC 1 
HETATM 3226 C C26   . LIG_BC BC 34 .   ? -23.775 -12.859 -2.459  1.00 1.30  1   BC 1 
HETATM 3227 C C27   . LIG_BC BC 34 .   ? -24.786 -12.661 -1.595  1.00 1.24  1   BC 1 
HETATM 3228 C C28   . LIG_BC BC 34 .   ? -24.584 -11.835 -0.618  1.00 1.16  1   BC 1 
HETATM 3229 C C29   . LIG_BC BC 34 .   ? -25.392 -11.370 0.118   1.00 1.16  1   BC 1 
HETATM 3230 C C30   . LIG_BC BC 34 .   ? -25.669 -10.733 1.007   1.00 1.21  1   BC 1 
HETATM 3231 C C31   . LIG_BC BC 34 .   ? -26.473 -10.337 1.713   1.00 1.19  1   BC 1 
HETATM 3232 C C32   . LIG_BC BC 34 .   ? -26.766 -10.089 2.764   1.00 1.20  1   BC 1 
HETATM 3233 C C33   . LIG_BC BC 34 .   ? -27.446 -10.219 3.621   1.00 1.20  1   BC 1 
HETATM 3234 C C34   . LIG_BC BC 34 .   ? -27.680 -10.039 4.710   1.00 1.18  1   BC 1 
HETATM 3235 C C35   . LIG_BC BC 34 .   ? -28.259 -10.180 5.635   1.00 1.18  1   BC 1 
HETATM 3236 C C36   . LIG_BC BC 34 .   ? -28.418 -9.899  6.742   1.00 1.22  1   BC 1 
HETATM 3237 C C37   . LIG_BC BC 34 .   ? -29.090 -10.123 7.639   1.00 1.28  1   BC 1 
HETATM 3238 C C38   . LIG_BC BC 34 .   ? -29.397 -9.758  8.710   1.00 1.25  1   BC 1 
HETATM 3239 C C39   . LIG_BC BC 34 .   ? -30.165 -9.922  9.598   1.00 1.24  1   BC 1 
HETATM 3240 C C40   . LIG_BC BC 34 .   ? -30.512 -9.478  10.666  1.00 1.26  1   BC 1 
HETATM 3241 C C41   . LIG_BC BC 34 .   ? -31.415 -9.822  11.517  1.00 1.20  1   BC 1 
HETATM 3242 C C1    . LIG_DC DC 35 .   ? -15.376 13.250  5.768   1.00 1.32  1   DC 1 
HETATM 3243 C C2    . LIG_DC DC 35 .   ? -16.095 13.100  6.822   1.00 1.28  1   DC 1 
HETATM 3244 C C3    . LIG_DC DC 35 .   ? -16.869 13.866  7.346   1.00 1.27  1   DC 1 
HETATM 3245 C C4    . LIG_DC DC 35 .   ? -17.594 13.796  8.307   1.00 1.24  1   DC 1 
HETATM 3246 C C5    . LIG_DC DC 35 .   ? -18.397 14.476  8.771   1.00 1.23  1   DC 1 
HETATM 3247 C C6    . LIG_DC DC 35 .   ? -19.212 14.567  9.546   1.00 1.18  1   DC 1 
HETATM 3248 C C7    . LIG_DC DC 35 .   ? -19.957 15.356  9.864   1.00 1.18  1   DC 1 
HETATM 3249 C C8    . LIG_DC DC 35 .   ? -20.591 15.531  10.687  1.00 1.20  1   DC 1 
HETATM 3250 C C9    . LIG_DC DC 35 .   ? -20.999 15.957  11.484  1.00 1.20  1   DC 1 
HETATM 3251 C C10   . LIG_DC DC 35 .   ? -21.342 16.316  12.400  1.00 1.23  1   DC 1 
HETATM 3252 C C11   . LIG_DC DC 35 .   ? -21.730 16.686  13.224  1.00 1.24  1   DC 1 
HETATM 3253 C C12   . LIG_DC DC 35 .   ? -22.152 17.041  14.201  1.00 1.33  1   DC 1 
HETATM 3254 C C13   . LIG_DC DC 35 .   ? -23.080 17.288  14.676  1.00 1.24  1   DC 1 
HETATM 3255 C C14   . LIG_DC DC 35 .   ? -23.574 17.596  15.719  1.00 1.25  1   DC 1 
HETATM 3256 C C15   . LIG_DC DC 35 .   ? -24.776 17.453  15.960  1.00 1.28  1   DC 1 
HETATM 3257 C C16   . LIG_DC DC 35 .   ? -25.289 17.585  17.117  1.00 1.27  1   DC 1 
HETATM 3258 C C17   . LIG_DC DC 35 .   ? -26.558 17.277  17.193  1.00 1.17  1   DC 1 
HETATM 3259 C C18   . LIG_DC DC 35 .   ? -27.201 17.372  18.333  1.00 1.19  1   DC 1 
HETATM 3260 O O1    . LIG_DC DC 35 .   ? -28.274 17.855  18.352  1.00 1.36  1   DC 1 
HETATM 3261 O O2    . LIG_DC DC 35 .   ? -26.630 16.917  19.312  1.00 1.32  1   DC 1 
HETATM 3262 C C19   . LIG_DC DC 35 .   ? -27.327 17.016  20.427  1.00 1.14  1   DC 1 
HETATM 3263 C C20   . LIG_DC DC 35 .   ? -26.816 16.150  21.473  1.00 1.18  1   DC 1 
HETATM 3264 C C21   . LIG_DC DC 35 .   ? -27.675 16.242  22.677  1.00 1.16  1   DC 1 
HETATM 3265 O O3    . LIG_DC DC 35 .   ? -28.947 15.863  22.370  1.00 1.23  1   DC 1 
HETATM 3266 P P1    . LIG_DC DC 35 .   ? -30.033 15.762  23.508  1.00 1.29  1   DC 1 
HETATM 3267 O O4    . LIG_DC DC 35 .   ? -29.489 14.801  24.428  1.00 1.22  1   DC 1 
HETATM 3268 O O5    . LIG_DC DC 35 .   ? -30.123 17.076  24.043  1.00 1.20  1   DC 1 
HETATM 3269 O O6    . LIG_DC DC 35 .   ? -31.188 15.295  22.835  1.00 1.24  1   DC 1 
HETATM 3270 O O7    . LIG_DC DC 35 .   ? -25.558 16.565  21.855  1.00 1.24  1   DC 1 
HETATM 3271 C C22   . LIG_DC DC 35 .   ? -24.676 15.668  21.852  1.00 1.31  1   DC 1 
HETATM 3272 O O8    . LIG_DC DC 35 .   ? -24.885 14.577  21.400  1.00 1.29  1   DC 1 
HETATM 3273 C C23   . LIG_DC DC 35 .   ? -23.465 16.046  22.328  1.00 1.22  1   DC 1 
HETATM 3274 C C24   . LIG_DC DC 35 .   ? -22.482 15.694  21.504  1.00 1.32  1   DC 1 
HETATM 3275 C C25   . LIG_DC DC 35 .   ? -21.324 16.181  21.716  1.00 1.36  1   DC 1 
HETATM 3276 C C26   . LIG_DC DC 35 .   ? -20.365 15.939  20.873  1.00 1.40  1   DC 1 
HETATM 3277 C C27   . LIG_DC DC 35 .   ? -19.234 16.492  20.975  1.00 1.36  1   DC 1 
HETATM 3278 C C28   . LIG_DC DC 35 .   ? -18.224 16.343  20.251  1.00 1.27  1   DC 1 
HETATM 3279 C C29   . LIG_DC DC 35 .   ? -17.276 17.114  20.343  1.00 1.28  1   DC 1 
HETATM 3280 C C30   . LIG_DC DC 35 .   ? -17.147 18.196  20.694  1.00 1.31  1   DC 1 
HETATM 3281 C C31   . LIG_DC DC 35 .   ? -16.519 19.141  20.775  1.00 1.33  1   DC 1 
HETATM 3282 C C32   . LIG_DC DC 35 .   ? -16.391 20.220  21.040  1.00 1.37  1   DC 1 
HETATM 3283 C C33   . LIG_DC DC 35 .   ? -15.582 21.006  20.886  1.00 1.34  1   DC 1 
HETATM 3284 C C34   . LIG_DC DC 35 .   ? -14.588 20.777  20.255  1.00 1.36  1   DC 1 
HETATM 3285 C C35   . LIG_DC DC 35 .   ? -13.674 21.379  19.934  1.00 1.40  1   DC 1 
HETATM 3286 C C36   . LIG_DC DC 35 .   ? -12.677 21.100  19.216  1.00 1.49  1   DC 1 
HETATM 3287 C C37   . LIG_DC DC 35 .   ? -11.855 21.949  18.824  1.00 1.42  1   DC 1 
HETATM 3288 C C38   . LIG_DC DC 35 .   ? -10.899 21.842  18.049  1.00 1.37  1   DC 1 
HETATM 3289 C C39   . LIG_DC DC 35 .   ? -10.178 22.876  17.692  1.00 1.44  1   DC 1 
HETATM 3290 C C1    . LIG_AD AD 36 .   ? -5.082  -1.077  20.740  1.00 1.75  1   AD 1 
HETATM 3291 C C2    . LIG_AD AD 36 .   ? -5.520  -1.423  21.581  1.00 1.82  1   AD 1 
HETATM 3292 C C3    . LIG_AD AD 36 .   ? -6.030  -1.225  22.539  1.00 1.76  1   AD 1 
HETATM 3293 C C4    . LIG_AD AD 36 .   ? -6.342  -0.666  23.368  1.00 1.94  1   AD 1 
HETATM 3294 C C5    . LIG_AD AD 36 .   ? -6.670  -0.017  24.154  1.00 1.76  1   AD 1 
HETATM 3295 C C6    . LIG_AD AD 36 .   ? -6.969  0.694   24.913  1.00 1.66  1   AD 1 
HETATM 3296 C C7    . LIG_AD AD 36 .   ? -7.185  1.411   25.668  1.00 1.64  1   AD 1 
HETATM 3297 C C8    . LIG_AD AD 36 .   ? -7.317  2.146   26.427  1.00 1.58  1   AD 1 
HETATM 3298 C C9    . LIG_AD AD 36 .   ? -7.381  2.855   27.190  1.00 1.64  1   AD 1 
HETATM 3299 C C10   . LIG_AD AD 36 .   ? -7.364  3.552   28.013  1.00 1.76  1   AD 1 
HETATM 3300 C C11   . LIG_AD AD 36 .   ? -7.297  4.238   28.856  1.00 1.60  1   AD 1 
HETATM 3301 C C12   . LIG_AD AD 36 .   ? -7.271  4.865   29.737  1.00 1.67  1   AD 1 
HETATM 3302 C C13   . LIG_AD AD 36 .   ? -7.371  5.398   30.666  1.00 1.37  1   AD 1 
HETATM 3303 C C14   . LIG_AD AD 36 .   ? -8.054  5.623   31.481  1.00 1.36  1   AD 1 
HETATM 3304 C C15   . LIG_AD AD 36 .   ? -8.994  5.610   31.921  1.00 1.31  1   AD 1 
HETATM 3305 C C16   . LIG_AD AD 36 .   ? -10.012 5.564   32.382  1.00 1.26  1   AD 1 
HETATM 3306 C C17   . LIG_AD AD 36 .   ? -11.041 5.449   32.416  1.00 1.19  1   AD 1 
HETATM 3307 C C18   . LIG_AD AD 36 .   ? -12.104 5.097   32.962  1.00 1.21  1   AD 1 
HETATM 3308 O O1    . LIG_AD AD 36 .   ? -12.283 5.297   34.097  1.00 1.59  1   AD 1 
HETATM 3309 O O2    . LIG_AD AD 36 .   ? -12.865 4.507   32.194  1.00 1.52  1   AD 1 
HETATM 3310 C C19   . LIG_AD AD 36 .   ? -13.863 3.901   32.740  1.00 1.18  1   AD 1 
HETATM 3311 C C20   . LIG_AD AD 36 .   ? -14.819 3.345   31.833  1.00 1.24  1   AD 1 
HETATM 3312 C C21   . LIG_AD AD 36 .   ? -15.745 2.458   32.589  1.00 1.25  1   AD 1 
HETATM 3313 O O3    . LIG_AD AD 36 .   ? -15.072 1.838   33.536  1.00 1.32  1   AD 1 
HETATM 3314 P P1    . LIG_AD AD 36 .   ? -15.422 2.001   35.044  1.00 1.30  1   AD 1 
HETATM 3315 O O4    . LIG_AD AD 36 .   ? -14.723 0.933   35.708  1.00 1.23  1   AD 1 
HETATM 3316 O O5    . LIG_AD AD 36 .   ? -15.259 3.294   35.461  1.00 1.25  1   AD 1 
HETATM 3317 O O6    . LIG_AD AD 36 .   ? -16.911 1.665   34.980  1.00 1.26  1   AD 1 
HETATM 3318 C C22   . LIG_AD AD 36 .   ? -17.735 2.198   35.627  1.00 1.30  1   AD 1 
HETATM 3319 C C23   . LIG_AD AD 36 .   ? -18.428 1.413   36.526  1.00 1.32  1   AD 1 
HETATM 3320 N N1    . LIG_AD AD 36 .   ? -19.744 1.687   36.659  1.00 1.89  1   AD 1 
HETATM 3321 C C24   . LIG_AD AD 36 .   ? -20.416 1.214   35.519  1.00 1.49  1   AD 1 
HETATM 3322 C C25   . LIG_AD AD 36 .   ? -20.211 1.031   37.813  1.00 1.45  1   AD 1 
HETATM 3323 C C26   . LIG_AD AD 36 .   ? -19.948 3.081   36.748  1.00 1.56  1   AD 1 
HETATM 3324 O O7    . LIG_AD AD 36 .   ? -14.175 2.616   30.878  1.00 1.39  1   AD 1 
HETATM 3325 C C27   . LIG_AD AD 36 .   ? -14.412 3.035   29.729  1.00 1.39  1   AD 1 
HETATM 3326 O O8    . LIG_AD AD 36 .   ? -15.218 3.894   29.510  1.00 1.37  1   AD 1 
HETATM 3327 C C28   . LIG_AD AD 36 .   ? -13.719 2.510   28.790  1.00 1.27  1   AD 1 
HETATM 3328 C C29   . LIG_AD AD 36 .   ? -13.539 2.693   27.704  1.00 1.36  1   AD 1 
HETATM 3329 C C30   . LIG_AD AD 36 .   ? -13.087 2.564   26.702  1.00 1.37  1   AD 1 
HETATM 3330 C C31   . LIG_AD AD 36 .   ? -12.714 2.545   25.678  1.00 1.36  1   AD 1 
HETATM 3331 C C32   . LIG_AD AD 36 .   ? -12.246 2.424   24.704  1.00 1.55  1   AD 1 
HETATM 3332 C C33   . LIG_AD AD 36 .   ? -11.760 2.314   23.746  1.00 1.48  1   AD 1 
HETATM 3333 C C34   . LIG_AD AD 36 .   ? -11.211 2.121   22.820  1.00 1.53  1   AD 1 
HETATM 3334 C C35   . LIG_AD AD 36 .   ? -10.607 1.896   21.954  1.00 1.52  1   AD 1 
HETATM 3335 C C36   . LIG_AD AD 36 .   ? -9.944  1.603   21.153  1.00 1.66  1   AD 1 
HETATM 3336 C C37   . LIG_AD AD 36 .   ? -9.228  1.264   20.429  1.00 1.69  1   AD 1 
HETATM 3337 C C38   . LIG_AD AD 36 .   ? -8.430  0.864   19.820  1.00 1.55  1   AD 1 
HETATM 3338 C C39   . LIG_AD AD 36 .   ? -7.574  0.424   19.340  1.00 1.59  1   AD 1 
HETATM 3339 C C40   . LIG_AD AD 36 .   ? -6.673  0.028   18.974  1.00 1.70  1   AD 1 
HETATM 3340 C C41   . LIG_AD AD 36 .   ? -5.707  -0.322  18.736  1.00 1.45  1   AD 1 
HETATM 3341 C C42   . LIG_AD AD 36 .   ? -4.792  -0.546  18.524  1.00 1.38  1   AD 1 
HETATM 3342 C C43   . LIG_AD AD 36 .   ? -3.832  -0.702  18.205  1.00 1.34  1   AD 1 
HETATM 3343 C C44   . LIG_AD AD 36 .   ? -2.840  -0.725  17.793  1.00 1.38  1   AD 1 
HETATM 3344 C C1    . LIG_BD BD 37 .   ? -12.580 -10.865 16.081  1.00 1.51  1   BD 1 
HETATM 3345 C C2    . LIG_BD BD 37 .   ? -13.202 -11.498 15.493  1.00 1.67  1   BD 1 
HETATM 3346 C C3    . LIG_BD BD 37 .   ? -14.177 -11.365 15.440  1.00 1.75  1   BD 1 
HETATM 3347 C C4    . LIG_BD BD 37 .   ? -14.872 -10.726 15.910  1.00 1.83  1   BD 1 
HETATM 3348 C C5    . LIG_BD BD 37 .   ? -15.402 -10.034 16.479  1.00 1.76  1   BD 1 
HETATM 3349 C C6    . LIG_BD BD 37 .   ? -15.934 -9.430  17.202  1.00 1.66  1   BD 1 
HETATM 3350 C C7    . LIG_BD BD 37 .   ? -16.436 -9.101  18.027  1.00 1.62  1   BD 1 
HETATM 3351 C C8    . LIG_BD BD 37 .   ? -16.842 -8.893  18.964  1.00 1.59  1   BD 1 
HETATM 3352 C C9    . LIG_BD BD 37 .   ? -17.158 -8.759  19.934  1.00 1.65  1   BD 1 
HETATM 3353 C C10   . LIG_BD BD 37 .   ? -17.372 -8.617  20.983  1.00 1.69  1   BD 1 
HETATM 3354 C C11   . LIG_BD BD 37 .   ? -17.484 -8.475  22.021  1.00 1.63  1   BD 1 
HETATM 3355 C C12   . LIG_BD BD 37 .   ? -17.469 -8.294  23.087  1.00 1.66  1   BD 1 
HETATM 3356 C C13   . LIG_BD BD 37 .   ? -17.319 -8.088  24.110  1.00 1.40  1   BD 1 
HETATM 3357 C C14   . LIG_BD BD 37 .   ? -17.112 -7.840  25.131  1.00 1.36  1   BD 1 
HETATM 3358 C C15   . LIG_BD BD 37 .   ? -16.753 -7.561  26.088  1.00 1.34  1   BD 1 
HETATM 3359 C C16   . LIG_BD BD 37 .   ? -16.479 -7.242  27.090  1.00 1.29  1   BD 1 
HETATM 3360 C C17   . LIG_BD BD 37 .   ? -15.997 -6.869  27.945  1.00 1.19  1   BD 1 
HETATM 3361 C C18   . LIG_BD BD 37 .   ? -16.145 -6.406  29.081  1.00 1.21  1   BD 1 
HETATM 3362 O O1    . LIG_BD BD 37 .   ? -17.129 -6.627  29.671  1.00 1.63  1   BD 1 
HETATM 3363 O O2    . LIG_BD BD 37 .   ? -15.243 -5.677  29.431  1.00 1.46  1   BD 1 
HETATM 3364 C C19   . LIG_BD BD 37 .   ? -15.432 -5.133  30.588  1.00 1.18  1   BD 1 
HETATM 3365 C C20   . LIG_BD BD 37 .   ? -14.725 -3.915  30.777  1.00 1.23  1   BD 1 
HETATM 3366 C C21   . LIG_BD BD 37 .   ? -15.199 -3.268  32.018  1.00 1.23  1   BD 1 
HETATM 3367 O O3    . LIG_BD BD 37 .   ? -14.911 -4.016  33.035  1.00 1.27  1   BD 1 
HETATM 3368 P P1    . LIG_BD BD 37 .   ? -15.916 -4.152  34.180  1.00 1.27  1   BD 1 
HETATM 3369 O O4    . LIG_BD BD 37 .   ? -16.563 -5.385  34.059  1.00 1.20  1   BD 1 
HETATM 3370 O O5    . LIG_BD BD 37 .   ? -16.693 -3.008  34.309  1.00 1.18  1   BD 1 
HETATM 3371 O O6    . LIG_BD BD 37 .   ? -14.864 -4.170  35.263  1.00 1.22  1   BD 1 
HETATM 3372 C C22   . LIG_BD BD 37 .   ? -14.349 -5.203  35.740  1.00 1.27  1   BD 1 
HETATM 3373 C C23   . LIG_BD BD 37 .   ? -14.143 -4.963  37.051  1.00 1.25  1   BD 1 
HETATM 3374 N N1    . LIG_BD BD 37 .   ? -14.820 -4.055  37.519  1.00 1.87  1   BD 1 
HETATM 3375 O O7    . LIG_BD BD 37 .   ? -14.994 -3.058  29.771  1.00 1.35  1   BD 1 
HETATM 3376 C C24   . LIG_BD BD 37 .   ? -14.024 -2.465  29.338  1.00 1.27  1   BD 1 
HETATM 3377 O O8    . LIG_BD BD 37 .   ? -12.939 -2.534  29.821  1.00 1.30  1   BD 1 
HETATM 3378 C C25   . LIG_BD BD 37 .   ? -14.239 -1.824  28.272  1.00 1.24  1   BD 1 
HETATM 3379 C C26   . LIG_BD BD 37 .   ? -13.722 -1.851  27.277  1.00 1.39  1   BD 1 
HETATM 3380 C C27   . LIG_BD BD 37 .   ? -13.524 -1.816  26.244  1.00 1.45  1   BD 1 
HETATM 3381 C C28   . LIG_BD BD 37 .   ? -13.155 -1.867  25.230  1.00 1.34  1   BD 1 
HETATM 3382 C C29   . LIG_BD BD 37 .   ? -12.855 -1.919  24.218  1.00 1.42  1   BD 1 
HETATM 3383 C C30   . LIG_BD BD 37 .   ? -12.485 -2.028  23.218  1.00 1.52  1   BD 1 
HETATM 3384 C C31   . LIG_BD BD 37 .   ? -12.141 -2.194  22.235  1.00 1.47  1   BD 1 
HETATM 3385 C C32   . LIG_BD BD 37 .   ? -11.773 -2.397  21.278  1.00 1.55  1   BD 1 
HETATM 3386 C C33   . LIG_BD BD 37 .   ? -11.421 -2.642  20.317  1.00 1.51  1   BD 1 
HETATM 3387 C C34   . LIG_BD BD 37 .   ? -11.086 -2.931  19.358  1.00 1.48  1   BD 1 
HETATM 3388 C C35   . LIG_BD BD 37 .   ? -10.747 -3.322  18.426  1.00 1.49  1   BD 1 
HETATM 3389 C C36   . LIG_BD BD 37 .   ? -10.465 -3.874  17.554  1.00 1.55  1   BD 1 
HETATM 3390 C C37   . LIG_BD BD 37 .   ? -10.299 -4.660  16.819  1.00 1.55  1   BD 1 
HETATM 3391 C C38   . LIG_BD BD 37 .   ? -10.338 -5.642  16.322  1.00 1.39  1   BD 1 
HETATM 3392 C C39   . LIG_BD BD 37 .   ? -10.405 -6.602  15.828  1.00 1.49  1   BD 1 
HETATM 3393 C C40   . LIG_BD BD 37 .   ? -10.631 -7.606  15.553  1.00 1.46  1   BD 1 
HETATM 3394 C C41   . LIG_BD BD 37 .   ? -10.971 -8.471  15.605  1.00 1.36  1   BD 1 
HETATM 3395 C C1    . LIG_DD DD 38 .   ? -19.788 23.209  11.232  1.00 1.75  1   DD 1 
HETATM 3396 C C2    . LIG_DD DD 38 .   ? -19.353 23.541  10.106  1.00 1.57  1   DD 1 
HETATM 3397 C C3    . LIG_DD DD 38 .   ? -19.139 23.090  9.042   1.00 1.50  1   DD 1 
HETATM 3398 C C4    . LIG_DD DD 38 .   ? -18.724 23.420  7.969   1.00 1.43  1   DD 1 
HETATM 3399 C C5    . LIG_DD DD 38 .   ? -18.462 23.074  6.901   1.00 1.46  1   DD 1 
HETATM 3400 C C6    . LIG_DD DD 38 .   ? -18.038 23.356  5.900   1.00 1.35  1   DD 1 
HETATM 3401 C C7    . LIG_DD DD 38 .   ? -17.620 23.225  4.945   1.00 1.32  1   DD 1 
HETATM 3402 C C8    . LIG_DD DD 38 .   ? -17.006 22.846  4.180   1.00 1.48  1   DD 1 
HETATM 3403 C C9    . LIG_DD DD 38 .   ? -16.323 22.368  3.591   1.00 1.47  1   DD 1 
HETATM 3404 C C10   . LIG_DD DD 38 .   ? -15.501 21.879  3.072   1.00 1.53  1   DD 1 
HETATM 3405 C C11   . LIG_DD DD 38 .   ? -14.709 21.339  2.683   1.00 1.46  1   DD 1 
HETATM 3406 C C12   . LIG_DD DD 38 .   ? -13.796 20.964  2.117   1.00 1.68  1   DD 1 
HETATM 3407 C C13   . LIG_DD DD 38 .   ? -13.152 20.060  1.778   1.00 1.45  1   DD 1 
HETATM 3408 C C14   . LIG_DD DD 38 .   ? -12.208 19.850  1.042   1.00 1.50  1   DD 1 
HETATM 3409 C C15   . LIG_DD DD 38 .   ? -11.753 18.741  0.699   1.00 1.63  1   DD 1 
HETATM 3410 C C16   . LIG_DD DD 38 .   ? -10.648 18.542  0.062   1.00 1.78  1   DD 1 
HETATM 3411 C C17   . LIG_DD DD 38 .   ? -10.535 19.134  -1.111  1.00 1.44  1   DD 1 
HETATM 3412 C C18   . LIG_DD DD 38 .   ? -9.346  19.132  -1.733  1.00 1.71  1   DD 1 
HETATM 3413 O O1    . LIG_DD DD 38 .   ? -8.459  19.827  -1.358  1.00 1.86  1   DD 1 
HETATM 3414 O O2    . LIG_DD DD 38 .   ? -9.258  18.330  -2.644  1.00 2.01  1   DD 1 
HETATM 3415 C C19   . LIG_DD DD 38 .   ? -8.174  18.470  -3.387  1.00 1.75  1   DD 1 
HETATM 3416 C C20   . LIG_DD DD 38 .   ? -7.720  17.242  -3.998  1.00 2.35  1   DD 1 
HETATM 3417 C C21   . LIG_DD DD 38 .   ? -7.461  17.460  -5.428  1.00 2.51  1   DD 1 
HETATM 3418 O O3    . LIG_DD DD 38 .   ? -6.275  18.077  -5.580  1.00 3.10  1   DD 1 
HETATM 3419 P P1    . LIG_DD DD 38 .   ? -5.658  18.301  -7.005  1.00 3.72  1   DD 1 
HETATM 3420 O O4    . LIG_DD DD 38 .   ? -4.284  18.650  -6.702  1.00 4.00  1   DD 1 
HETATM 3421 O O5    . LIG_DD DD 38 .   ? -6.414  19.342  -7.600  1.00 5.14  1   DD 1 
HETATM 3422 O O6    . LIG_DD DD 38 .   ? -5.792  17.040  -7.687  1.00 5.63  1   DD 1 
HETATM 3423 O O7    . LIG_DD DD 38 .   ? -8.659  16.240  -3.902  1.00 2.12  1   DD 1 
HETATM 3424 C C22   . LIG_DD DD 38 .   ? -8.363  15.313  -3.073  1.00 2.48  1   DD 1 
HETATM 3425 O O8    . LIG_DD DD 38 .   ? -7.336  15.311  -2.466  1.00 2.08  1   DD 1 
HETATM 3426 C C23   . LIG_DD DD 38 .   ? -9.346  14.365  -2.901  1.00 2.17  1   DD 1 
HETATM 3427 C C24   . LIG_DD DD 38 .   ? -9.523  14.037  -1.594  1.00 1.94  1   DD 1 
HETATM 3428 C C25   . LIG_DD DD 38 .   ? -10.710 14.213  -1.109  1.00 1.81  1   DD 1 
HETATM 3429 C C26   . LIG_DD DD 38 .   ? -10.936 14.218  0.152   1.00 1.73  1   DD 1 
HETATM 3430 C C27   . LIG_DD DD 38 .   ? -12.048 13.961  0.636   1.00 1.62  1   DD 1 
HETATM 3431 C C28   . LIG_DD DD 38 .   ? -12.987 14.553  0.933   1.00 1.38  1   DD 1 
HETATM 3432 C C29   . LIG_DD DD 38 .   ? -14.087 14.457  1.295   1.00 1.34  1   DD 1 
HETATM 3433 C C30   . LIG_DD DD 38 .   ? -15.092 14.946  1.369   1.00 1.31  1   DD 1 
HETATM 3434 C C31   . LIG_DD DD 38 .   ? -16.153 15.017  1.547   1.00 1.31  1   DD 1 
HETATM 3435 C C32   . LIG_DD DD 38 .   ? -17.180 15.347  1.670   1.00 1.46  1   DD 1 
HETATM 3436 C C33   . LIG_DD DD 38 .   ? -18.211 15.074  1.935   1.00 1.36  1   DD 1 
HETATM 3437 C C34   . LIG_DD DD 38 .   ? -19.194 15.219  2.420   1.00 1.36  1   DD 1 
HETATM 3438 C C35   . LIG_DD DD 38 .   ? -19.963 14.686  3.052   1.00 1.38  1   DD 1 
HETATM 3439 C C36   . LIG_DD DD 38 .   ? -20.971 14.923  3.624   1.00 1.44  1   DD 1 
HETATM 3440 C C37   . LIG_DD DD 38 .   ? -21.163 15.141  4.798   1.00 1.48  1   DD 1 
HETATM 3441 C C38   . LIG_DD DD 38 .   ? -22.214 15.390  5.414   1.00 1.39  1   DD 1 
HETATM 3442 C C39   . LIG_DD DD 38 .   ? -22.260 15.741  6.667   1.00 1.49  1   DD 1 
HETATM 3443 C C1    . LIG_AE AE 39 .   ? -11.954 13.962  12.496  1.00 1.74  1   AE 1 
HETATM 3444 C C2    . LIG_AE AE 39 .   ? -11.142 13.424  12.959  1.00 1.71  1   AE 1 
HETATM 3445 C C3    . LIG_AE AE 39 .   ? -11.145 12.874  13.917  1.00 1.67  1   AE 1 
HETATM 3446 C C4    . LIG_AE AE 39 .   ? -11.817 12.691  14.760  1.00 1.87  1   AE 1 
HETATM 3447 C C5    . LIG_AE AE 39 .   ? -12.623 12.616  15.469  1.00 1.75  1   AE 1 
HETATM 3448 C C6    . LIG_AE AE 39 .   ? -13.549 12.633  16.077  1.00 1.59  1   AE 1 
HETATM 3449 C C7    . LIG_AE AE 39 .   ? -14.457 12.660  16.625  1.00 1.58  1   AE 1 
HETATM 3450 C C8    . LIG_AE AE 39 .   ? -15.413 12.695  17.121  1.00 1.55  1   AE 1 
HETATM 3451 C C9    . LIG_AE AE 39 .   ? -16.340 12.649  17.608  1.00 1.59  1   AE 1 
HETATM 3452 C C10   . LIG_AE AE 39 .   ? -17.307 12.564  18.137  1.00 1.75  1   AE 1 
HETATM 3453 C C11   . LIG_AE AE 39 .   ? -18.207 12.379  18.698  1.00 1.62  1   AE 1 
HETATM 3454 C C12   . LIG_AE AE 39 .   ? -19.090 12.198  19.327  1.00 1.68  1   AE 1 
HETATM 3455 C C13   . LIG_AE AE 39 .   ? -19.870 11.962  20.013  1.00 1.35  1   AE 1 
HETATM 3456 C C14   . LIG_AE AE 39 .   ? -20.686 11.747  20.719  1.00 1.33  1   AE 1 
HETATM 3457 C C15   . LIG_AE AE 39 .   ? -21.360 11.541  21.490  1.00 1.31  1   AE 1 
HETATM 3458 C C16   . LIG_AE AE 39 .   ? -22.167 11.433  22.260  1.00 1.27  1   AE 1 
HETATM 3459 C C17   . LIG_AE AE 39 .   ? -22.791 11.370  23.052  1.00 1.20  1   AE 1 
HETATM 3460 C C18   . LIG_AE AE 39 .   ? -23.823 11.399  23.771  1.00 1.23  1   AE 1 
HETATM 3461 O O1    . LIG_AE AE 39 .   ? -23.753 11.649  24.898  1.00 1.63  1   AE 1 
HETATM 3462 O O2    . LIG_AE AE 39 .   ? -24.822 11.197  23.151  1.00 1.53  1   AE 1 
HETATM 3463 C C19   . LIG_AE AE 39 .   ? -25.925 11.296  23.807  1.00 1.19  1   AE 1 
HETATM 3464 C C20   . LIG_AE AE 39 .   ? -27.074 11.518  22.969  1.00 1.22  1   AE 1 
HETATM 3465 C C21   . LIG_AE AE 39 .   ? -28.284 11.011  23.641  1.00 1.25  1   AE 1 
HETATM 3466 O O3    . LIG_AE AE 39 .   ? -28.348 11.539  24.823  1.00 1.31  1   AE 1 
HETATM 3467 P P1    . LIG_AE AE 39 .   ? -29.280 11.016  25.958  1.00 1.28  1   AE 1 
HETATM 3468 O O4    . LIG_AE AE 39 .   ? -28.457 10.305  26.872  1.00 1.25  1   AE 1 
HETATM 3469 O O5    . LIG_AE AE 39 .   ? -30.033 12.089  26.410  1.00 1.22  1   AE 1 
HETATM 3470 O O6    . LIG_AE AE 39 .   ? -30.210 10.018  25.236  1.00 1.26  1   AE 1 
HETATM 3471 C C22   . LIG_AE AE 39 .   ? -30.354 8.795   25.562  1.00 1.32  1   AE 1 
HETATM 3472 C C23   . LIG_AE AE 39 .   ? -29.270 8.088   25.109  1.00 1.32  1   AE 1 
HETATM 3473 N N1    . LIG_AE AE 39 .   ? -29.242 6.752   25.127  1.00 2.04  1   AE 1 
HETATM 3474 C C24   . LIG_AE AE 39 .   ? -29.339 6.288   26.453  1.00 1.46  1   AE 1 
HETATM 3475 C C25   . LIG_AE AE 39 .   ? -30.278 6.249   24.331  1.00 1.47  1   AE 1 
HETATM 3476 C C26   . LIG_AE AE 39 .   ? -27.989 6.432   24.588  1.00 1.53  1   AE 1 
HETATM 3477 O O7    . LIG_AE AE 39 .   ? -26.950 10.848  21.799  1.00 1.37  1   AE 1 
HETATM 3478 C C27   . LIG_AE AE 39 .   ? -27.049 11.590  20.805  1.00 1.40  1   AE 1 
HETATM 3479 O O8    . LIG_AE AE 39 .   ? -27.484 12.691  20.863  1.00 1.38  1   AE 1 
HETATM 3480 C C28   . LIG_AE AE 39 .   ? -26.532 11.144  19.742  1.00 1.31  1   AE 1 
HETATM 3481 C C29   . LIG_AE AE 39 .   ? -25.830 11.549  18.997  1.00 1.38  1   AE 1 
HETATM 3482 C C30   . LIG_AE AE 39 .   ? -25.065 11.823  18.325  1.00 1.38  1   AE 1 
HETATM 3483 C C31   . LIG_AE AE 39 .   ? -24.245 12.146  17.691  1.00 1.38  1   AE 1 
HETATM 3484 C C32   . LIG_AE AE 39 .   ? -23.404 12.404  17.088  1.00 1.52  1   AE 1 
HETATM 3485 C C33   . LIG_AE AE 39 .   ? -22.528 12.659  16.497  1.00 1.48  1   AE 1 
HETATM 3486 C C34   . LIG_AE AE 39 .   ? -21.644 12.885  15.913  1.00 1.49  1   AE 1 
HETATM 3487 C C35   . LIG_AE AE 39 .   ? -20.723 13.104  15.347  1.00 1.50  1   AE 1 
HETATM 3488 C C36   . LIG_AE AE 39 .   ? -19.791 13.321  14.791  1.00 1.57  1   AE 1 
HETATM 3489 C C37   . LIG_AE AE 39 .   ? -18.844 13.563  14.249  1.00 1.59  1   AE 1 
HETATM 3490 C C38   . LIG_AE AE 39 .   ? -17.894 13.841  13.717  1.00 1.47  1   AE 1 
HETATM 3491 C C39   . LIG_AE AE 39 .   ? -16.941 14.147  13.182  1.00 1.50  1   AE 1 
HETATM 3492 C C40   . LIG_AE AE 39 .   ? -15.996 14.449  12.673  1.00 1.69  1   AE 1 
HETATM 3493 C C41   . LIG_AE AE 39 .   ? -15.068 14.769  12.156  1.00 1.45  1   AE 1 
HETATM 3494 C C42   . LIG_AE AE 39 .   ? -14.225 15.122  11.652  1.00 1.41  1   AE 1 
HETATM 3495 C C43   . LIG_AE AE 39 .   ? -13.465 15.568  11.087  1.00 1.36  1   AE 1 
HETATM 3496 C C44   . LIG_AE AE 39 .   ? -12.786 16.193  10.384  1.00 1.40  1   AE 1 
HETATM 3497 C C1    . LIG_BE BE 40 .   ? -7.797  13.880  25.699  1.00 1.51  1   BE 1 
HETATM 3498 C C2    . LIG_BE BE 40 .   ? -7.296  13.380  25.005  1.00 1.76  1   BE 1 
HETATM 3499 C C3    . LIG_BE BE 40 .   ? -6.534  13.096  24.239  1.00 1.88  1   BE 1 
HETATM 3500 C C4    . LIG_BE BE 40 .   ? -5.696  12.868  23.532  1.00 1.96  1   BE 1 
HETATM 3501 C C5    . LIG_BE BE 40 .   ? -4.807  12.700  22.843  1.00 1.88  1   BE 1 
HETATM 3502 C C6    . LIG_BE BE 40 .   ? -3.887  12.562  22.171  1.00 1.74  1   BE 1 
HETATM 3503 C C7    . LIG_BE BE 40 .   ? -2.985  12.424  21.513  1.00 1.75  1   BE 1 
HETATM 3504 C C8    . LIG_BE BE 40 .   ? -2.070  12.289  20.866  1.00 1.84  1   BE 1 
HETATM 3505 C C9    . LIG_BE BE 40 .   ? -1.160  12.130  20.247  1.00 1.95  1   BE 1 
HETATM 3506 C C10   . LIG_BE BE 40 .   ? -0.216  11.961  19.600  1.00 2.19  1   BE 1 
HETATM 3507 C C11   . LIG_BE BE 40 .   ? 0.699   11.789  18.976  1.00 2.04  1   BE 1 
HETATM 3508 C C12   . LIG_BE BE 40 .   ? 1.659   11.615  18.368  1.00 2.22  1   BE 1 
HETATM 3509 C C13   . LIG_BE BE 40 .   ? 2.611   11.433  17.800  1.00 1.75  1   BE 1 
HETATM 3510 C C14   . LIG_BE BE 40 .   ? 3.602   11.303  17.235  1.00 1.79  1   BE 1 
HETATM 3511 C C15   . LIG_BE BE 40 .   ? 4.558   11.135  16.718  1.00 1.95  1   BE 1 
HETATM 3512 C C16   . LIG_BE BE 40 .   ? 5.600   11.074  16.179  1.00 2.05  1   BE 1 
HETATM 3513 C C17   . LIG_BE BE 40 .   ? 6.522   10.847  15.731  1.00 1.78  1   BE 1 
HETATM 3514 C C18   . LIG_BE BE 40 .   ? 7.705   10.988  15.211  1.00 1.98  1   BE 1 
HETATM 3515 O O1    . LIG_BE BE 40 .   ? 8.596   10.335  15.565  1.00 2.59  1   BE 1 
HETATM 3516 O O2    . LIG_BE BE 40 .   ? 7.775   11.845  14.349  1.00 2.54  1   BE 1 
HETATM 3517 C C19   . LIG_BE BE 40 .   ? 8.993   12.186  13.932  1.00 2.00  1   BE 1 
HETATM 3518 C C20   . LIG_BE BE 40 .   ? 8.921   13.532  13.358  1.00 2.30  1   BE 1 
HETATM 3519 C C21   . LIG_BE BE 40 .   ? 10.190  13.951  12.735  1.00 2.32  1   BE 1 
HETATM 3520 O O3    . LIG_BE BE 40 .   ? 11.134  14.218  13.619  1.00 2.12  1   BE 1 
HETATM 3521 P P1    . LIG_BE BE 40 .   ? 12.376  15.075  13.208  1.00 2.40  1   BE 1 
HETATM 3522 O O4    . LIG_BE BE 40 .   ? 13.554  14.318  13.507  1.00 1.73  1   BE 1 
HETATM 3523 O O5    . LIG_BE BE 40 .   ? 12.244  15.603  11.919  1.00 1.92  1   BE 1 
HETATM 3524 O O6    . LIG_BE BE 40 .   ? 12.231  16.181  14.241  1.00 1.82  1   BE 1 
HETATM 3525 C C22   . LIG_BE BE 40 .   ? 12.910  17.225  14.267  1.00 2.37  1   BE 1 
HETATM 3526 C C23   . LIG_BE BE 40 .   ? 12.603  17.903  15.321  1.00 2.07  1   BE 1 
HETATM 3527 N N1    . LIG_BE BE 40 .   ? 11.828  17.656  16.050  1.00 3.72  1   BE 1 
HETATM 3528 O O7    . LIG_BE BE 40 .   ? 8.599   14.404  14.345  1.00 2.10  1   BE 1 
HETATM 3529 C C24   . LIG_BE BE 40 .   ? 7.523   15.017  14.146  1.00 2.17  1   BE 1 
HETATM 3530 O O8    . LIG_BE BE 40 .   ? 7.036   15.093  13.060  1.00 1.84  1   BE 1 
HETATM 3531 C C25   . LIG_BE BE 40 .   ? 6.964   15.511  15.178  1.00 2.04  1   BE 1 
HETATM 3532 C C26   . LIG_BE BE 40 .   ? 5.917   15.467  15.640  1.00 2.35  1   BE 1 
HETATM 3533 C C27   . LIG_BE BE 40 .   ? 5.135   15.559  16.405  1.00 2.42  1   BE 1 
HETATM 3534 C C28   . LIG_BE BE 40 .   ? 4.262   15.545  17.093  1.00 1.94  1   BE 1 
HETATM 3535 C C29   . LIG_BE BE 40 .   ? 3.453   15.586  17.867  1.00 1.78  1   BE 1 
HETATM 3536 C C30   . LIG_BE BE 40 .   ? 2.647   15.644  18.640  1.00 1.95  1   BE 1 
HETATM 3537 C C31   . LIG_BE BE 40 .   ? 1.866   15.737  19.435  1.00 1.83  1   BE 1 
HETATM 3538 C C32   . LIG_BE BE 40 .   ? 1.105   15.848  20.225  1.00 1.89  1   BE 1 
HETATM 3539 C C33   . LIG_BE BE 40 .   ? 0.334   15.978  21.014  1.00 1.79  1   BE 1 
HETATM 3540 C C34   . LIG_BE BE 40 .   ? -0.462  16.101  21.815  1.00 1.65  1   BE 1 
HETATM 3541 C C35   . LIG_BE BE 40 .   ? -1.267  16.230  22.593  1.00 1.70  1   BE 1 
HETATM 3542 C C36   . LIG_BE BE 40 .   ? -2.114  16.338  23.344  1.00 1.75  1   BE 1 
HETATM 3543 C C37   . LIG_BE BE 40 .   ? -3.003  16.418  24.052  1.00 1.73  1   BE 1 
HETATM 3544 C C38   . LIG_BE BE 40 .   ? -3.941  16.445  24.699  1.00 1.45  1   BE 1 
HETATM 3545 C C39   . LIG_BE BE 40 .   ? -4.913  16.409  25.289  1.00 1.56  1   BE 1 
HETATM 3546 C C40   . LIG_BE BE 40 .   ? -5.891  16.271  25.789  1.00 1.50  1   BE 1 
HETATM 3547 C C41   . LIG_BE BE 40 .   ? -6.886  16.133  26.278  1.00 1.38  1   BE 1 
HETATM 3548 C C1    . LIG_DE DE 41 .   ? -20.536 1.817   11.945  1.00 1.33  1   DE 1 
HETATM 3549 C C2    . LIG_DE DE 41 .   ? -19.735 2.805   12.107  1.00 1.32  1   DE 1 
HETATM 3550 C C3    . LIG_DE DE 41 .   ? -19.940 3.769   12.740  1.00 1.26  1   DE 1 
HETATM 3551 C C4    . LIG_DE DE 41 .   ? -19.234 4.705   12.790  1.00 1.27  1   DE 1 
HETATM 3552 C C5    . LIG_DE DE 41 .   ? -19.342 5.701   13.274  1.00 1.25  1   DE 1 
HETATM 3553 C C6    . LIG_DE DE 41 .   ? -20.070 6.267   13.913  1.00 1.26  1   DE 1 
HETATM 3554 C C7    . LIG_DE DE 41 .   ? -20.016 7.286   14.489  1.00 1.24  1   DE 1 
HETATM 3555 C C8    . LIG_DE DE 41 .   ? -20.717 7.721   15.203  1.00 1.31  1   DE 1 
HETATM 3556 C C9    . LIG_DE DE 41 .   ? -21.072 8.336   15.968  1.00 1.28  1   DE 1 
HETATM 3557 C C10   . LIG_DE DE 41 .   ? -21.877 8.578   16.627  1.00 1.33  1   DE 1 
HETATM 3558 C C11   . LIG_DE DE 41 .   ? -22.876 8.237   17.170  1.00 1.36  1   DE 1 
HETATM 3559 C C12   . LIG_DE DE 41 .   ? -23.603 7.275   16.848  1.00 1.42  1   DE 1 
HETATM 3560 C C13   . LIG_DE DE 41 .   ? -24.399 6.641   17.480  1.00 1.32  1   DE 1 
HETATM 3561 C C14   . LIG_DE DE 41 .   ? -25.202 6.953   18.315  1.00 1.34  1   DE 1 
HETATM 3562 C C15   . LIG_DE DE 41 .   ? -26.085 6.403   18.918  1.00 1.36  1   DE 1 
HETATM 3563 C C16   . LIG_DE DE 41 .   ? -26.842 6.889   19.821  1.00 1.32  1   DE 1 
HETATM 3564 C C17   . LIG_DE DE 41 .   ? -27.942 6.309   20.215  1.00 1.20  1   DE 1 
HETATM 3565 C C18   . LIG_DE DE 41 .   ? -27.811 5.217   21.003  1.00 1.22  1   DE 1 
HETATM 3566 O O1    . LIG_DE DE 41 .   ? -27.241 5.238   22.024  1.00 1.38  1   DE 1 
HETATM 3567 O O2    . LIG_DE DE 41 .   ? -28.368 4.226   20.530  1.00 1.37  1   DE 1 
HETATM 3568 C C19   . LIG_DE DE 41 .   ? -28.550 3.194   21.339  1.00 1.19  1   DE 1 
HETATM 3569 C C20   . LIG_DE DE 41 .   ? -28.957 2.017   20.575  1.00 1.20  1   DE 1 
HETATM 3570 C C21   . LIG_DE DE 41 .   ? -29.702 1.044   21.392  1.00 1.17  1   DE 1 
HETATM 3571 O O3    . LIG_DE DE 41 .   ? -30.556 1.655   22.218  1.00 1.23  1   DE 1 
HETATM 3572 P P1    . LIG_DE DE 41 .   ? -31.635 0.848   23.050  1.00 1.29  1   DE 1 
HETATM 3573 O O4    . LIG_DE DE 41 .   ? -31.899 1.693   24.170  1.00 1.22  1   DE 1 
HETATM 3574 O O5    . LIG_DE DE 41 .   ? -32.703 0.680   22.147  1.00 1.23  1   DE 1 
HETATM 3575 O O6    . LIG_DE DE 41 .   ? -30.998 -0.372  23.404  1.00 1.24  1   DE 1 
HETATM 3576 O O7    . LIG_DE DE 41 .   ? -27.767 1.413   20.197  1.00 1.25  1   DE 1 
HETATM 3577 C C22   . LIG_DE DE 41 .   ? -27.802 0.804   19.135  1.00 1.28  1   DE 1 
HETATM 3578 O O8    . LIG_DE DE 41 .   ? -28.805 0.636   18.522  1.00 1.26  1   DE 1 
HETATM 3579 C C23   . LIG_DE DE 41 .   ? -26.593 0.355   18.709  1.00 1.22  1   DE 1 
HETATM 3580 C C24   . LIG_DE DE 41 .   ? -26.463 0.388   17.398  1.00 1.32  1   DE 1 
HETATM 3581 C C25   . LIG_DE DE 41 .   ? -26.014 1.449   16.838  1.00 1.31  1   DE 1 
HETATM 3582 C C26   . LIG_DE DE 41 .   ? -25.587 1.367   15.645  1.00 1.34  1   DE 1 
HETATM 3583 C C27   . LIG_DE DE 41 .   ? -25.006 2.303   15.059  1.00 1.30  1   DE 1 
HETATM 3584 C C28   . LIG_DE DE 41 .   ? -24.519 2.217   13.942  1.00 1.22  1   DE 1 
HETATM 3585 C C29   . LIG_DE DE 41 .   ? -24.041 2.883   13.162  1.00 1.23  1   DE 1 
HETATM 3586 C C30   . LIG_DE DE 41 .   ? -23.802 3.055   12.079  1.00 1.23  1   DE 1 
HETATM 3587 C C31   . LIG_DE DE 41 .   ? -23.655 3.421   11.091  1.00 1.21  1   DE 1 
HETATM 3588 C C32   . LIG_DE DE 41 .   ? -23.815 3.629   10.052  1.00 1.22  1   DE 1 
HETATM 3589 C C33   . LIG_DE DE 41 .   ? -23.961 3.860   9.048   1.00 1.19  1   DE 1 
HETATM 3590 C C34   . LIG_DE DE 41 .   ? -24.322 4.113   8.049   1.00 1.21  1   DE 1 
HETATM 3591 C C35   . LIG_DE DE 41 .   ? -24.363 4.205   6.992   1.00 1.21  1   DE 1 
HETATM 3592 C C36   . LIG_DE DE 41 .   ? -24.807 4.611   6.003   1.00 1.25  1   DE 1 
HETATM 3593 C C37   . LIG_DE DE 41 .   ? -24.579 4.410   4.839   1.00 1.29  1   DE 1 
HETATM 3594 C C38   . LIG_DE DE 41 .   ? -25.013 4.823   3.776   1.00 1.21  1   DE 1 
HETATM 3595 C C39   . LIG_DE DE 41 .   ? -24.745 4.343   2.596   1.00 1.23  1   DE 1 
HETATM 3596 C C1    . LIG_AF AF 42 .   ? -24.179 -14.904 13.173  1.00 1.71  1   AF 1 
HETATM 3597 C C2    . LIG_AF AF 42 .   ? -24.795 -14.366 12.740  1.00 1.86  1   AF 1 
HETATM 3598 C C3    . LIG_AF AF 42 .   ? -25.069 -13.955 11.767  1.00 1.89  1   AF 1 
HETATM 3599 C C4    . LIG_AF AF 42 .   ? -25.022 -13.851 10.703  1.00 2.13  1   AF 1 
HETATM 3600 C C5    . LIG_AF AF 42 .   ? -24.855 -13.857 9.625   1.00 1.81  1   AF 1 
HETATM 3601 C C6    . LIG_AF AF 42 .   ? -24.608 -13.941 8.559   1.00 1.68  1   AF 1 
HETATM 3602 C C7    . LIG_AF AF 42 .   ? -24.354 -14.061 7.516   1.00 1.60  1   AF 1 
HETATM 3603 C C8    . LIG_AF AF 42 .   ? -24.128 -14.227 6.463   1.00 1.58  1   AF 1 
HETATM 3604 C C9    . LIG_AF AF 42 .   ? -23.936 -14.436 5.440   1.00 1.58  1   AF 1 
HETATM 3605 C C10   . LIG_AF AF 42 .   ? -23.778 -14.715 4.372   1.00 1.67  1   AF 1 
HETATM 3606 C C11   . LIG_AF AF 42 .   ? -23.669 -15.069 3.359   1.00 1.58  1   AF 1 
HETATM 3607 C C12   . LIG_AF AF 42 .   ? -23.534 -15.477 2.329   1.00 1.62  1   AF 1 
HETATM 3608 C C13   . LIG_AF AF 42 .   ? -23.424 -15.910 1.336   1.00 1.30  1   AF 1 
HETATM 3609 C C14   . LIG_AF AF 42 .   ? -23.258 -16.385 0.343   1.00 1.29  1   AF 1 
HETATM 3610 C C15   . LIG_AF AF 42 .   ? -23.133 -16.819 -0.650  1.00 1.26  1   AF 1 
HETATM 3611 C C16   . LIG_AF AF 42 .   ? -22.915 -17.335 -1.623  1.00 1.26  1   AF 1 
HETATM 3612 C C17   . LIG_AF AF 42 .   ? -22.796 -17.733 -2.624  1.00 1.20  1   AF 1 
HETATM 3613 C C18   . LIG_AF AF 42 .   ? -22.177 -18.568 -3.364  1.00 1.22  1   AF 1 
HETATM 3614 O O1    . LIG_AF AF 42 .   ? -22.462 -19.701 -3.385  1.00 1.52  1   AF 1 
HETATM 3615 O O2    . LIG_AF AF 42 .   ? -21.236 -18.082 -3.979  1.00 1.46  1   AF 1 
HETATM 3616 C C19   . LIG_AF AF 42 .   ? -20.512 -18.930 -4.686  1.00 1.18  1   AF 1 
HETATM 3617 C C20   . LIG_AF AF 42 .   ? -19.090 -18.652 -4.630  1.00 1.20  1   AF 1 
HETATM 3618 C C21   . LIG_AF AF 42 .   ? -18.384 -19.368 -5.704  1.00 1.23  1   AF 1 
HETATM 3619 O O3    . LIG_AF AF 42 .   ? -19.009 -19.121 -6.835  1.00 1.23  1   AF 1 
HETATM 3620 P P1    . LIG_AF AF 42 .   ? -18.355 -19.280 -8.210  1.00 1.18  1   AF 1 
HETATM 3621 O O4    . LIG_AF AF 42 .   ? -17.079 -19.908 -8.071  1.00 1.15  1   AF 1 
HETATM 3622 O O5    . LIG_AF AF 42 .   ? -18.478 -18.116 -8.927  1.00 1.15  1   AF 1 
HETATM 3623 O O6    . LIG_AF AF 42 .   ? -19.336 -20.328 -8.737  1.00 1.21  1   AF 1 
HETATM 3624 C C22   . LIG_AF AF 42 .   ? -19.732 -20.481 -9.892  1.00 1.24  1   AF 1 
HETATM 3625 C C23   . LIG_AF AF 42 .   ? -19.916 -21.784 -10.301 1.00 1.26  1   AF 1 
HETATM 3626 N N1    . LIG_AF AF 42 .   ? -20.020 -22.863 -9.425  1.00 1.75  1   AF 1 
HETATM 3627 C C24   . LIG_AF AF 42 .   ? -18.747 -23.147 -8.871  1.00 1.39  1   AF 1 
HETATM 3628 C C25   . LIG_AF AF 42 .   ? -20.445 -23.983 -10.143 1.00 1.40  1   AF 1 
HETATM 3629 C C26   . LIG_AF AF 42 .   ? -20.952 -22.564 -8.409  1.00 1.54  1   AF 1 
HETATM 3630 O O7    . LIG_AF AF 42 .   ? -18.596 -19.092 -3.417  1.00 1.35  1   AF 1 
HETATM 3631 C C27   . LIG_AF AF 42 .   ? -18.090 -18.199 -2.708  1.00 1.34  1   AF 1 
HETATM 3632 O O8    . LIG_AF AF 42 .   ? -17.823 -17.123 -3.140  1.00 1.32  1   AF 1 
HETATM 3633 C C28   . LIG_AF AF 42 .   ? -17.931 -18.495 -1.463  1.00 1.27  1   AF 1 
HETATM 3634 C C29   . LIG_AF AF 42 .   ? -18.030 -17.994 -0.467  1.00 1.34  1   AF 1 
HETATM 3635 C C30   . LIG_AF AF 42 .   ? -18.159 -17.839 0.636   1.00 1.36  1   AF 1 
HETATM 3636 C C31   . LIG_AF AF 42 .   ? -18.367 -17.565 1.690   1.00 1.35  1   AF 1 
HETATM 3637 C C32   . LIG_AF AF 42 .   ? -18.604 -17.384 2.766   1.00 1.50  1   AF 1 
HETATM 3638 C C33   . LIG_AF AF 42 .   ? -18.898 -17.192 3.828   1.00 1.44  1   AF 1 
HETATM 3639 C C34   . LIG_AF AF 42 .   ? -19.202 -17.046 4.904   1.00 1.44  1   AF 1 
HETATM 3640 C C35   . LIG_AF AF 42 .   ? -19.528 -16.919 5.972   1.00 1.48  1   AF 1 
HETATM 3641 C C36   . LIG_AF AF 42 .   ? -19.886 -16.803 7.040   1.00 1.54  1   AF 1 
HETATM 3642 C C37   . LIG_AF AF 42 .   ? -20.271 -16.689 8.096   1.00 1.55  1   AF 1 
HETATM 3643 C C38   . LIG_AF AF 42 .   ? -20.689 -16.566 9.155   1.00 1.50  1   AF 1 
HETATM 3644 C C39   . LIG_AF AF 42 .   ? -21.140 -16.430 10.214  1.00 1.57  1   AF 1 
HETATM 3645 C C40   . LIG_AF AF 42 .   ? -21.610 -16.295 11.243  1.00 1.76  1   AF 1 
HETATM 3646 C C41   . LIG_AF AF 42 .   ? -22.121 -16.141 12.258  1.00 1.49  1   AF 1 
HETATM 3647 C C42   . LIG_AF AF 42 .   ? -22.610 -16.016 13.236  1.00 1.49  1   AF 1 
HETATM 3648 C C43   . LIG_AF AF 42 .   ? -23.058 -15.900 14.233  1.00 1.40  1   AF 1 
HETATM 3649 C C44   . LIG_AF AF 42 .   ? -23.464 -15.841 15.351  1.00 1.47  1   AF 1 
HETATM 3650 C C1    . LIG_BF BF 43 .   ? -15.917 10.711  0.658   1.00 1.53  1   BF 1 
HETATM 3651 C C2    . LIG_BF BF 43 .   ? -16.782 10.693  1.530   1.00 1.53  1   BF 1 
HETATM 3652 C C3    . LIG_BF BF 43 .   ? -17.407 10.787  2.440   1.00 1.42  1   BF 1 
HETATM 3653 C C4    . LIG_BF BF 43 .   ? -18.135 10.753  3.345   1.00 1.36  1   BF 1 
HETATM 3654 C C5    . LIG_BF BF 43 .   ? -18.715 10.896  4.298   1.00 1.33  1   BF 1 
HETATM 3655 C C6    . LIG_BF BF 43 .   ? -19.392 10.898  5.244   1.00 1.27  1   BF 1 
HETATM 3656 C C7    . LIG_BF BF 43 .   ? -19.951 11.165  6.172   1.00 1.21  1   BF 1 
HETATM 3657 C C8    . LIG_BF BF 43 .   ? -20.568 11.224  7.098   1.00 1.27  1   BF 1 
HETATM 3658 C C9    . LIG_BF BF 43 .   ? -21.181 11.403  7.996   1.00 1.27  1   BF 1 
HETATM 3659 C C10   . LIG_BF BF 43 .   ? -21.797 11.561  8.939   1.00 1.30  1   BF 1 
HETATM 3660 C C11   . LIG_BF BF 43 .   ? -22.545 11.756  9.733   1.00 1.33  1   BF 1 
HETATM 3661 C C12   . LIG_BF BF 43 .   ? -23.104 11.962  10.769  1.00 1.46  1   BF 1 
HETATM 3662 C C13   . LIG_BF BF 43 .   ? -24.196 12.156  11.254  1.00 1.29  1   BF 1 
HETATM 3663 C C14   . LIG_BF BF 43 .   ? -24.729 12.537  12.292  1.00 1.32  1   BF 1 
HETATM 3664 C C15   . LIG_BF BF 43 .   ? -25.857 12.755  12.695  1.00 1.31  1   BF 1 
HETATM 3665 C C16   . LIG_BF BF 43 .   ? -26.354 13.286  13.708  1.00 1.30  1   BF 1 
HETATM 3666 C C17   . LIG_BF BF 43 .   ? -27.568 13.447  14.043  1.00 1.19  1   BF 1 
HETATM 3667 C C18   . LIG_BF BF 43 .   ? -27.943 14.082  15.177  1.00 1.21  1   BF 1 
HETATM 3668 O O1    . LIG_BF BF 43 .   ? -27.163 14.747  15.779  1.00 1.53  1   BF 1 
HETATM 3669 O O2    . LIG_BF BF 43 .   ? -29.112 13.904  15.508  1.00 1.37  1   BF 1 
HETATM 3670 C C19   . LIG_BF BF 43 .   ? -29.484 14.448  16.677  1.00 1.17  1   BF 1 
HETATM 3671 C C20   . LIG_BF BF 43 .   ? -30.436 13.567  17.388  1.00 1.23  1   BF 1 
HETATM 3672 C C21   . LIG_BF BF 43 .   ? -30.956 14.234  18.604  1.00 1.21  1   BF 1 
HETATM 3673 O O3    . LIG_BF BF 43 .   ? -32.233 14.565  18.373  1.00 1.26  1   BF 1 
HETATM 3674 P P1    . LIG_BF BF 43 .   ? -33.186 15.044  19.490  1.00 1.29  1   BF 1 
HETATM 3675 O O4    . LIG_BF BF 43 .   ? -32.449 15.765  20.470  1.00 1.19  1   BF 1 
HETATM 3676 O O5    . LIG_BF BF 43 .   ? -34.287 15.644  18.836  1.00 1.17  1   BF 1 
HETATM 3677 O O6    . LIG_BF BF 43 .   ? -33.655 13.670  20.082  1.00 1.19  1   BF 1 
HETATM 3678 C C22   . LIG_BF BF 43 .   ? -34.311 13.577  21.206  1.00 1.23  1   BF 1 
HETATM 3679 C C23   . LIG_BF BF 43 .   ? -34.731 12.266  21.461  1.00 1.20  1   BF 1 
HETATM 3680 N N1    . LIG_BF BF 43 .   ? -35.230 11.639  20.434  1.00 1.66  1   BF 1 
HETATM 3681 O O7    . LIG_BF BF 43 .   ? -29.741 12.416  17.789  1.00 1.22  1   BF 1 
HETATM 3682 C C24   . LIG_BF BF 43 .   ? -30.279 11.323  17.511  1.00 1.23  1   BF 1 
HETATM 3683 O O8    . LIG_BF BF 43 .   ? -31.432 11.199  17.371  1.00 1.26  1   BF 1 
HETATM 3684 C C25   . LIG_BF BF 43 .   ? -29.381 10.276  17.404  1.00 1.23  1   BF 1 
HETATM 3685 C C26   . LIG_BF BF 43 .   ? -29.567 9.491   16.326  1.00 1.33  1   BF 1 
HETATM 3686 C C27   . LIG_BF BF 43 .   ? -28.937 9.849   15.212  1.00 1.30  1   BF 1 
HETATM 3687 C C28   . LIG_BF BF 43 .   ? -28.992 9.068   14.188  1.00 1.18  1   BF 1 
HETATM 3688 C C29   . LIG_BF BF 43 .   ? -28.593 9.307   13.058  1.00 1.19  1   BF 1 
HETATM 3689 C C30   . LIG_BF BF 43 .   ? -28.708 8.550   12.123  1.00 1.23  1   BF 1 
HETATM 3690 C C31   . LIG_BF BF 43 .   ? -28.288 7.463   11.931  1.00 1.22  1   BF 1 
HETATM 3691 C C32   . LIG_BF BF 43 .   ? -28.338 6.586   11.300  1.00 1.24  1   BF 1 
HETATM 3692 C C33   . LIG_BF BF 43 .   ? -28.281 5.505   11.073  1.00 1.25  1   BF 1 
HETATM 3693 C C34   . LIG_BF BF 43 .   ? -28.530 4.567   10.711  1.00 1.24  1   BF 1 
HETATM 3694 C C35   . LIG_BF BF 43 .   ? -28.494 3.444   10.589  1.00 1.27  1   BF 1 
HETATM 3695 C C36   . LIG_BF BF 43 .   ? -27.558 2.731   10.660  1.00 1.34  1   BF 1 
HETATM 3696 C C37   . LIG_BF BF 43 .   ? -27.355 1.555   10.476  1.00 1.35  1   BF 1 
HETATM 3697 C C38   . LIG_BF BF 43 .   ? -26.315 0.908   10.461  1.00 1.34  1   BF 1 
HETATM 3698 C C39   . LIG_BF BF 43 .   ? -26.064 -0.245  10.166  1.00 1.37  1   BF 1 
HETATM 3699 C C40   . LIG_BF BF 43 .   ? -25.118 -0.882  10.026  1.00 1.35  1   BF 1 
HETATM 3700 C C41   . LIG_BF BF 43 .   ? -24.776 -2.033  9.671   1.00 1.38  1   BF 1 
HETATM 3701 C C1    . LIG_DF DF 44 .   ? -16.619 18.759  6.675   1.00 1.62  1   DF 1 
HETATM 3702 C C2    . LIG_DF DF 44 .   ? -16.452 18.022  5.640   1.00 1.58  1   DF 1 
HETATM 3703 C C3    . LIG_DF DF 44 .   ? -15.545 17.442  5.264   1.00 1.49  1   DF 1 
HETATM 3704 C C4    . LIG_DF DF 44 .   ? -14.464 17.223  5.099   1.00 1.55  1   DF 1 
HETATM 3705 C C5    . LIG_DF DF 44 .   ? -13.422 16.809  4.900   1.00 1.55  1   DF 1 
HETATM 3706 C C6    . LIG_DF DF 44 .   ? -12.311 16.861  4.764   1.00 1.48  1   DF 1 
HETATM 3707 C C7    . LIG_DF DF 44 .   ? -11.252 16.985  4.734   1.00 1.43  1   DF 1 
HETATM 3708 C C8    . LIG_DF DF 44 .   ? -10.220 17.334  4.752   1.00 1.59  1   DF 1 
HETATM 3709 C C9    . LIG_DF DF 44 .   ? -9.210  17.634  4.761   1.00 1.61  1   DF 1 
HETATM 3710 C C10   . LIG_DF DF 44 .   ? -8.193  18.033  4.659   1.00 1.73  1   DF 1 
HETATM 3711 C C11   . LIG_DF DF 44 .   ? -7.164  18.249  4.434   1.00 1.89  1   DF 1 
HETATM 3712 C C12   . LIG_DF DF 44 .   ? -6.212  18.764  4.149   1.00 2.39  1   DF 1 
HETATM 3713 C C13   . LIG_DF DF 44 .   ? -5.149  18.889  3.827   1.00 2.27  1   DF 1 
HETATM 3714 C C14   . LIG_DF DF 44 .   ? -4.344  19.646  3.483   1.00 2.69  1   DF 1 
HETATM 3715 C C15   . LIG_DF DF 44 .   ? -3.379  20.023  3.330   1.00 3.06  1   DF 1 
HETATM 3716 C C16   . LIG_DF DF 44 .   ? -2.535  20.715  2.831   1.00 3.46  1   DF 1 
HETATM 3717 C C17   . LIG_DF DF 44 .   ? -1.331  20.620  3.057   1.00 2.77  1   DF 1 
HETATM 3718 C C18   . LIG_DF DF 44 .   ? -0.458  21.033  2.164   1.00 3.08  1   DF 1 
HETATM 3719 O O1    . LIG_DF DF 44 .   ? -0.762  21.573  1.166   1.00 3.89  1   DF 1 
HETATM 3720 O O2    . LIG_DF DF 44 .   ? 0.678   20.750  2.489   1.00 3.92  1   DF 1 
HETATM 3721 C C19   . LIG_DF DF 44 .   ? 1.585   21.185  1.639   1.00 3.33  1   DF 1 
HETATM 3722 C C20   . LIG_DF DF 44 .   ? 2.750   20.326  1.614   1.00 4.38  1   DF 1 
HETATM 3723 C C21   . LIG_DF DF 44 .   ? 3.695   20.903  0.631   1.00 4.24  1   DF 1 
HETATM 3724 O O3    . LIG_DF DF 44 .   ? 3.064   20.873  -0.591  1.00 5.48  1   DF 1 
HETATM 3725 P P1    . LIG_DF DF 44 .   ? 3.649   21.561  -1.870  1.00 6.72  1   DF 1 
HETATM 3726 O O4    . LIG_DF DF 44 .   ? 3.241   20.646  -2.914  1.00 6.28  1   DF 1 
HETATM 3727 O O5    . LIG_DF DF 44 .   ? 5.071   21.639  -1.670  1.00 6.80  1   DF 1 
HETATM 3728 O O6    . LIG_DF DF 44 .   ? 2.978   22.824  -1.935  1.00 8.31  1   DF 1 
HETATM 3729 O O7    . LIG_DF DF 44 .   ? 2.393   19.067  1.149   1.00 4.42  1   DF 1 
HETATM 3730 C C22   . LIG_DF DF 44 .   ? 2.912   18.084  1.774   1.00 4.50  1   DF 1 
HETATM 3731 O O8    . LIG_DF DF 44 .   ? 3.527   18.225  2.784   1.00 3.56  1   DF 1 
HETATM 3732 C C23   . LIG_DF DF 44 .   ? 2.674   16.847  1.184   1.00 3.72  1   DF 1 
HETATM 3733 C C24   . LIG_DF DF 44 .   ? 2.237   15.916  2.040   1.00 3.55  1   DF 1 
HETATM 3734 C C25   . LIG_DF DF 44 .   ? 1.007   16.098  2.497   1.00 3.54  1   DF 1 
HETATM 3735 C C26   . LIG_DF DF 44 .   ? 0.494   15.096  3.123   1.00 3.28  1   DF 1 
HETATM 3736 C C27   . LIG_DF DF 44 .   ? -0.542  15.141  3.748   1.00 3.06  1   DF 1 
HETATM 3737 C C28   . LIG_DF DF 44 .   ? -1.137  14.356  4.383   1.00 2.25  1   DF 1 
HETATM 3738 C C29   . LIG_DF DF 44 .   ? -1.994  14.348  5.072   1.00 2.46  1   DF 1 
HETATM 3739 C C30   . LIG_DF DF 44 .   ? -2.808  14.214  5.739   1.00 2.05  1   DF 1 
HETATM 3740 C C31   . LIG_DF DF 44 .   ? -3.616  14.476  6.375   1.00 1.82  1   DF 1 
HETATM 3741 C C32   . LIG_DF DF 44 .   ? -4.470  14.708  6.941   1.00 1.82  1   DF 1 
HETATM 3742 C C33   . LIG_DF DF 44 .   ? -5.319  15.042  7.468   1.00 1.56  1   DF 1 
HETATM 3743 C C34   . LIG_DF DF 44 .   ? -6.290  15.078  7.945   1.00 1.52  1   DF 1 
HETATM 3744 C C35   . LIG_DF DF 44 .   ? -7.320  14.960  8.009   1.00 1.57  1   DF 1 
HETATM 3745 C C36   . LIG_DF DF 44 .   ? -8.373  14.632  8.302   1.00 1.55  1   DF 1 
HETATM 3746 C C37   . LIG_DF DF 44 .   ? -9.387  14.295  7.824   1.00 1.48  1   DF 1 
HETATM 3747 C C38   . LIG_DF DF 44 .   ? -10.459 13.862  8.153   1.00 1.47  1   DF 1 
HETATM 3748 C C39   . LIG_DF DF 44 .   ? -11.493 13.654  7.425   1.00 1.46  1   DF 1 
HETATM 3749 C C1    . LIG_AG AG 45 .   ? -7.834  10.543  12.749  1.00 1.76  1   AG 1 
HETATM 3750 C C2    . LIG_AG AG 45 .   ? -8.573  9.735   12.763  1.00 1.79  1   AG 1 
HETATM 3751 C C3    . LIG_AG AG 45 .   ? -8.932  8.938   12.052  1.00 1.76  1   AG 1 
HETATM 3752 C C4    . LIG_AG AG 45 .   ? -8.900  8.348   11.096  1.00 1.95  1   AG 1 
HETATM 3753 C C5    . LIG_AG AG 45 .   ? -8.921  7.750   10.144  1.00 1.84  1   AG 1 
HETATM 3754 C C6    . LIG_AG AG 45 .   ? -8.914  7.234   9.144   1.00 1.70  1   AG 1 
HETATM 3755 C C7    . LIG_AG AG 45 .   ? -8.933  6.799   8.125   1.00 1.58  1   AG 1 
HETATM 3756 C C8    . LIG_AG AG 45 .   ? -8.958  6.466   7.066   1.00 1.63  1   AG 1 
HETATM 3757 C C9    . LIG_AG AG 45 .   ? -8.997  6.175   6.021   1.00 1.70  1   AG 1 
HETATM 3758 C C10   . LIG_AG AG 45 .   ? -9.035  5.944   4.914   1.00 1.85  1   AG 1 
HETATM 3759 C C11   . LIG_AG AG 45 .   ? -9.094  5.763   3.840   1.00 1.86  1   AG 1 
HETATM 3760 C C12   . LIG_AG AG 45 .   ? -9.122  5.576   2.741   1.00 2.08  1   AG 1 
HETATM 3761 C C13   . LIG_AG AG 45 .   ? -9.221  5.372   1.671   1.00 1.60  1   AG 1 
HETATM 3762 C C14   . LIG_AG AG 45 .   ? -9.279  5.172   0.580   1.00 1.64  1   AG 1 
HETATM 3763 C C15   . LIG_AG AG 45 .   ? -9.449  4.900   -0.463  1.00 1.70  1   AG 1 
HETATM 3764 C C16   . LIG_AG AG 45 .   ? -9.451  4.628   -1.562  1.00 1.71  1   AG 1 
HETATM 3765 C C17   . LIG_AG AG 45 .   ? -9.686  4.264   -2.557  1.00 1.46  1   AG 1 
HETATM 3766 C C18   . LIG_AG AG 45 .   ? -9.224  3.976   -3.702  1.00 1.71  1   AG 1 
HETATM 3767 O O1    . LIG_AG AG 45 .   ? -9.667  3.110   -4.342  1.00 2.04  1   AG 1 
HETATM 3768 O O2    . LIG_AG AG 45 .   ? -8.268  4.665   -3.979  1.00 2.16  1   AG 1 
HETATM 3769 C C19   . LIG_AG AG 45 .   ? -7.598  4.361   -5.059  1.00 1.63  1   AG 1 
HETATM 3770 C C20   . LIG_AG AG 45 .   ? -6.562  5.336   -5.301  1.00 2.36  1   AG 1 
HETATM 3771 C C21   . LIG_AG AG 45 .   ? -5.896  5.073   -6.556  1.00 2.15  1   AG 1 
HETATM 3772 O O3    . LIG_AG AG 45 .   ? -6.751  5.458   -7.470  1.00 2.33  1   AG 1 
HETATM 3773 P P1    . LIG_AG AG 45 .   ? -6.373  6.094   -8.791  1.00 2.54  1   AG 1 
HETATM 3774 O O4    . LIG_AG AG 45 .   ? -4.962  6.022   -8.991  1.00 2.34  1   AG 1 
HETATM 3775 O O5    . LIG_AG AG 45 .   ? -7.036  7.297   -8.909  1.00 2.75  1   AG 1 
HETATM 3776 O O6    . LIG_AG AG 45 .   ? -7.097  4.999   -9.607  1.00 2.00  1   AG 1 
HETATM 3777 C C22   . LIG_AG AG 45 .   ? -7.027  4.767   -10.833 1.00 2.53  1   AG 1 
HETATM 3778 C C23   . LIG_AG AG 45 .   ? -6.632  3.448   -11.048 1.00 2.43  1   AG 1 
HETATM 3779 N N1    . LIG_AG AG 45 .   ? -5.276  3.156   -11.101 1.00 4.14  1   AG 1 
HETATM 3780 C C24   . LIG_AG AG 45 .   ? -4.588  4.203   -11.767 1.00 3.23  1   AG 1 
HETATM 3781 C C25   . LIG_AG AG 45 .   ? -5.107  1.966   -11.808 1.00 2.66  1   AG 1 
HETATM 3782 C C26   . LIG_AG AG 45 .   ? -4.765  2.981   -9.794  1.00 3.02  1   AG 1 
HETATM 3783 O O7    . LIG_AG AG 45 .   ? -5.647  5.274   -4.275  1.00 2.35  1   AG 1 
HETATM 3784 C C27   . LIG_AG AG 45 .   ? -5.405  6.383   -3.760  1.00 3.20  1   AG 1 
HETATM 3785 O O8    . LIG_AG AG 45 .   ? -5.680  7.410   -4.294  1.00 2.11  1   AG 1 
HETATM 3786 C C28   . LIG_AG AG 45 .   ? -4.900  6.338   -2.583  1.00 2.69  1   AG 1 
HETATM 3787 C C29   . LIG_AG AG 45 .   ? -5.185  6.953   -1.655  1.00 2.68  1   AG 1 
HETATM 3788 C C30   . LIG_AG AG 45 .   ? -5.654  7.542   -0.905  1.00 2.43  1   AG 1 
HETATM 3789 C C31   . LIG_AG AG 45 .   ? -6.009  8.113   -0.017  1.00 2.19  1   AG 1 
HETATM 3790 C C32   . LIG_AG AG 45 .   ? -6.353  8.613   0.850   1.00 2.34  1   AG 1 
HETATM 3791 C C33   . LIG_AG AG 45 .   ? -6.631  9.081   1.812   1.00 2.18  1   AG 1 
HETATM 3792 C C34   . LIG_AG AG 45 .   ? -6.851  9.479   2.792   1.00 2.05  1   AG 1 
HETATM 3793 C C35   . LIG_AG AG 45 .   ? -6.985  9.838   3.836   1.00 1.96  1   AG 1 
HETATM 3794 C C36   . LIG_AG AG 45 .   ? -7.042  10.161  4.896   1.00 2.04  1   AG 1 
HETATM 3795 C C37   . LIG_AG AG 45 .   ? -7.045  10.437  5.979   1.00 2.01  1   AG 1 
HETATM 3796 C C38   . LIG_AG AG 45 .   ? -6.989  10.700  7.069   1.00 1.77  1   AG 1 
HETATM 3797 C C39   . LIG_AG AG 45 .   ? -6.900  10.961  8.162   1.00 1.77  1   AG 1 
HETATM 3798 C C40   . LIG_AG AG 45 .   ? -6.786  11.218  9.234   1.00 1.91  1   AG 1 
HETATM 3799 C C41   . LIG_AG AG 45 .   ? -6.615  11.535  10.290  1.00 1.60  1   AG 1 
HETATM 3800 C C42   . LIG_AG AG 45 .   ? -6.383  11.867  11.242  1.00 1.48  1   AG 1 
HETATM 3801 C C43   . LIG_AG AG 45 .   ? -5.976  12.331  12.105  1.00 1.42  1   AG 1 
HETATM 3802 C C44   . LIG_AG AG 45 .   ? -5.393  12.899  12.903  1.00 1.41  1   AG 1 
HETATM 3803 C C1    . LIG_BG BG 46 .   ? -11.986 -6.593  10.191  1.00 1.29  1   BG 1 
HETATM 3804 C C2    . LIG_BG BG 46 .   ? -12.961 -6.603  11.045  1.00 1.29  1   BG 1 
HETATM 3805 C C3    . LIG_BG BG 46 .   ? -12.946 -6.203  12.204  1.00 1.27  1   BG 1 
HETATM 3806 C C4    . LIG_BG BG 46 .   ? -13.735 -6.228  13.160  1.00 1.25  1   BG 1 
HETATM 3807 C C5    . LIG_BG BG 46 .   ? -13.652 -5.777  14.274  1.00 1.27  1   BG 1 
HETATM 3808 C C6    . LIG_BG BG 46 .   ? -14.266 -5.793  15.274  1.00 1.21  1   BG 1 
HETATM 3809 C C7    . LIG_BG BG 46 .   ? -14.204 -5.384  16.341  1.00 1.21  1   BG 1 
HETATM 3810 C C8    . LIG_BG BG 46 .   ? -14.611 -5.351  17.343  1.00 1.27  1   BG 1 
HETATM 3811 C C9    . LIG_BG BG 46 .   ? -14.836 -5.146  18.342  1.00 1.31  1   BG 1 
HETATM 3812 C C10   . LIG_BG BG 46 .   ? -15.215 -5.072  19.342  1.00 1.35  1   BG 1 
HETATM 3813 C C11   . LIG_BG BG 46 .   ? -15.650 -4.824  20.275  1.00 1.38  1   BG 1 
HETATM 3814 C C12   . LIG_BG BG 46 .   ? -15.967 -4.758  21.341  1.00 1.48  1   BG 1 
HETATM 3815 C C13   . LIG_BG BG 46 .   ? -16.524 -4.251  22.162  1.00 1.36  1   BG 1 
HETATM 3816 C C14   . LIG_BG BG 46 .   ? -16.695 -4.061  23.265  1.00 1.36  1   BG 1 
HETATM 3817 C C15   . LIG_BG BG 46 .   ? -17.325 -3.396  23.996  1.00 1.36  1   BG 1 
HETATM 3818 C C16   . LIG_BG BG 46 .   ? -17.325 -3.258  25.222  1.00 1.31  1   BG 1 
HETATM 3819 C C17   . LIG_BG BG 46 .   ? -18.104 -2.450  25.790  1.00 1.19  1   BG 1 
HETATM 3820 C C18   . LIG_BG BG 46 .   ? -18.149 -2.453  27.121  1.00 1.20  1   BG 1 
HETATM 3821 O O1    . LIG_BG BG 46 .   ? -17.651 -3.296  27.759  1.00 1.49  1   BG 1 
HETATM 3822 O O2    . LIG_BG BG 46 .   ? -18.788 -1.513  27.542  1.00 1.38  1   BG 1 
HETATM 3823 C C19   . LIG_BG BG 46 .   ? -19.003 -1.563  28.816  1.00 1.17  1   BG 1 
HETATM 3824 C C20   . LIG_BG BG 46 .   ? -18.493 -0.387  29.478  1.00 1.23  1   BG 1 
HETATM 3825 C C21   . LIG_BG BG 46 .   ? -18.277 -0.711  30.921  1.00 1.23  1   BG 1 
HETATM 3826 O O3    . LIG_BG BG 46 .   ? -19.500 -0.873  31.533  1.00 1.25  1   BG 1 
HETATM 3827 P P1    . LIG_BG BG 46 .   ? -19.636 -1.614  32.894  1.00 1.28  1   BG 1 
HETATM 3828 O O4    . LIG_BG BG 46 .   ? -20.845 -1.155  33.497  1.00 1.21  1   BG 1 
HETATM 3829 O O5    . LIG_BG BG 46 .   ? -18.430 -1.516  33.603  1.00 1.18  1   BG 1 
HETATM 3830 O O6    . LIG_BG BG 46 .   ? -19.802 -3.029  32.389  1.00 1.21  1   BG 1 
HETATM 3831 C C22   . LIG_BG BG 46 .   ? -20.920 -3.437  31.945  1.00 1.23  1   BG 1 
HETATM 3832 C C23   . LIG_BG BG 46 .   ? -20.924 -4.789  31.713  1.00 1.20  1   BG 1 
HETATM 3833 N N1    . LIG_BG BG 46 .   ? -20.817 -5.131  30.522  1.00 1.54  1   BG 1 
HETATM 3834 O O7    . LIG_BG BG 46 .   ? -19.418 0.627   29.377  1.00 1.24  1   BG 1 
HETATM 3835 C C24   . LIG_BG BG 46 .   ? -18.965 1.798   29.532  1.00 1.22  1   BG 1 
HETATM 3836 O O8    . LIG_BG BG 46 .   ? -17.837 2.012   29.814  1.00 1.28  1   BG 1 
HETATM 3837 C C25   . LIG_BG BG 46 .   ? -19.881 2.823   29.314  1.00 1.21  1   BG 1 
HETATM 3838 C C26   . LIG_BG BG 46 .   ? -19.363 3.887   28.623  1.00 1.33  1   BG 1 
HETATM 3839 C C27   . LIG_BG BG 46 .   ? -18.904 3.564   27.396  1.00 1.34  1   BG 1 
HETATM 3840 C C28   . LIG_BG BG 46 .   ? -18.530 4.509   26.610  1.00 1.23  1   BG 1 
HETATM 3841 C C29   . LIG_BG BG 46 .   ? -17.919 4.289   25.552  1.00 1.26  1   BG 1 
HETATM 3842 C C30   . LIG_BG BG 46 .   ? -17.412 4.807   24.676  1.00 1.25  1   BG 1 
HETATM 3843 C C31   . LIG_BG BG 46 .   ? -16.720 4.543   23.747  1.00 1.23  1   BG 1 
HETATM 3844 C C32   . LIG_BG BG 46 .   ? -16.125 4.757   22.893  1.00 1.25  1   BG 1 
HETATM 3845 C C33   . LIG_BG BG 46 .   ? -15.432 4.585   22.061  1.00 1.24  1   BG 1 
HETATM 3846 C C34   . LIG_BG BG 46 .   ? -14.789 4.541   21.225  1.00 1.24  1   BG 1 
HETATM 3847 C C35   . LIG_BG BG 46 .   ? -14.099 4.278   20.423  1.00 1.25  1   BG 1 
HETATM 3848 C C36   . LIG_BG BG 46 .   ? -13.512 4.037   19.567  1.00 1.30  1   BG 1 
HETATM 3849 C C37   . LIG_BG BG 46 .   ? -12.830 3.670   18.789  1.00 1.30  1   BG 1 
HETATM 3850 C C38   . LIG_BG BG 46 .   ? -12.253 3.269   18.002  1.00 1.26  1   BG 1 
HETATM 3851 C C39   . LIG_BG BG 46 .   ? -11.565 2.819   17.274  1.00 1.24  1   BG 1 
HETATM 3852 C C40   . LIG_BG BG 46 .   ? -10.932 2.447   16.532  1.00 1.32  1   BG 1 
HETATM 3853 C C41   . LIG_BG BG 46 .   ? -10.111 2.041   15.794  1.00 1.37  1   BG 1 
HETATM 3854 C C1    . LIG_DG DG 47 .   ? -2.314  -0.277  22.016  1.00 1.37  1   DG 1 
HETATM 3855 C C2    . LIG_DG DG 47 .   ? -1.306  0.365   21.582  1.00 1.38  1   DG 1 
HETATM 3856 C C3    . LIG_DG DG 47 .   ? -0.150  0.266   21.841  1.00 1.38  1   DG 1 
HETATM 3857 C C4    . LIG_DG DG 47 .   ? 0.834   0.785   21.398  1.00 1.38  1   DG 1 
HETATM 3858 C C5    . LIG_DG DG 47 .   ? 2.008   0.728   21.564  1.00 1.39  1   DG 1 
HETATM 3859 C C6    . LIG_DG DG 47 .   ? 2.623   0.147   22.450  1.00 1.24  1   DG 1 
HETATM 3860 C C7    . LIG_DG DG 47 .   ? 3.791   0.036   22.588  1.00 1.25  1   DG 1 
HETATM 3861 C C8    . LIG_DG DG 47 .   ? 4.683   -0.065  21.931  1.00 1.32  1   DG 1 
HETATM 3862 C C9    . LIG_DG DG 47 .   ? 5.583   0.033   21.378  1.00 1.34  1   DG 1 
HETATM 3863 C C10   . LIG_DG DG 47 .   ? 6.419   -0.165  20.674  1.00 1.38  1   DG 1 
HETATM 3864 C C11   . LIG_DG DG 47 .   ? 7.057   -0.573  19.926  1.00 1.37  1   DG 1 
HETATM 3865 C C12   . LIG_DG DG 47 .   ? 7.955   -0.928  19.318  1.00 1.53  1   DG 1 
HETATM 3866 C C13   . LIG_DG DG 47 .   ? 8.525   -1.218  18.362  1.00 1.36  1   DG 1 
HETATM 3867 C C14   . LIG_DG DG 47 .   ? 9.479   -1.785  17.915  1.00 1.41  1   DG 1 
HETATM 3868 C C15   . LIG_DG DG 47 .   ? 10.125  -1.703  16.912  1.00 1.43  1   DG 1 
HETATM 3869 C C16   . LIG_DG DG 47 .   ? 11.009  -2.421  16.395  1.00 1.47  1   DG 1 
HETATM 3870 C C17   . LIG_DG DG 47 .   ? 11.703  -2.057  15.366  1.00 1.29  1   DG 1 
HETATM 3871 C C18   . LIG_DG DG 47 .   ? 12.586  -2.901  14.826  1.00 1.30  1   DG 1 
HETATM 3872 O O1    . LIG_DG DG 47 .   ? 13.741  -2.588  14.718  1.00 1.44  1   DG 1 
HETATM 3873 O O2    . LIG_DG DG 47 .   ? 12.143  -4.018  14.475  1.00 1.51  1   DG 1 
HETATM 3874 C C19   . LIG_DG DG 47 .   ? 13.002  -4.780  13.797  1.00 1.22  1   DG 1 
HETATM 3875 C C20   . LIG_DG DG 47 .   ? 12.436  -5.995  13.228  1.00 1.31  1   DG 1 
HETATM 3876 C C21   . LIG_DG DG 47 .   ? 12.773  -6.062  11.794  1.00 1.31  1   DG 1 
HETATM 3877 O O3    . LIG_DG DG 47 .   ? 14.113  -6.259  11.643  1.00 1.43  1   DG 1 
HETATM 3878 P P1    . LIG_DG DG 47 .   ? 14.770  -6.308  10.215  1.00 1.89  1   DG 1 
HETATM 3879 O O4    . LIG_DG DG 47 .   ? 13.860  -7.103  9.409   1.00 1.91  1   DG 1 
HETATM 3880 O O5    . LIG_DG DG 47 .   ? 16.041  -6.921  10.419  1.00 1.69  1   DG 1 
HETATM 3881 O O6    . LIG_DG DG 47 .   ? 14.854  -4.945  9.778   1.00 1.84  1   DG 1 
HETATM 3882 O O7    . LIG_DG DG 47 .   ? 11.063  -5.959  13.326  1.00 1.40  1   DG 1 
HETATM 3883 C C22   . LIG_DG DG 47 .   ? 10.544  -6.907  14.000  1.00 1.44  1   DG 1 
HETATM 3884 O O8    . LIG_DG DG 47 .   ? 11.181  -7.832  14.401  1.00 1.34  1   DG 1 
HETATM 3885 C C23   . LIG_DG DG 47 .   ? 9.223   -6.743  14.214  1.00 1.29  1   DG 1 
HETATM 3886 C C24   . LIG_DG DG 47 .   ? 8.788   -6.937  15.432  1.00 1.42  1   DG 1 
HETATM 3887 C C25   . LIG_DG DG 47 .   ? 7.613   -6.577  15.721  1.00 1.45  1   DG 1 
HETATM 3888 C C26   . LIG_DG DG 47 .   ? 7.085   -6.695  16.865  1.00 1.51  1   DG 1 
HETATM 3889 C C27   . LIG_DG DG 47 .   ? 5.897   -6.364  17.127  1.00 1.41  1   DG 1 
HETATM 3890 C C28   . LIG_DG DG 47 .   ? 5.226   -6.524  18.137  1.00 1.31  1   DG 1 
HETATM 3891 C C29   . LIG_DG DG 47 .   ? 4.167   -6.374  18.582  1.00 1.31  1   DG 1 
HETATM 3892 C C30   . LIG_DG DG 47 .   ? 3.416   -6.444  19.431  1.00 1.32  1   DG 1 
HETATM 3893 C C31   . LIG_DG DG 47 .   ? 2.683   -6.503  20.209  1.00 1.35  1   DG 1 
HETATM 3894 C C32   . LIG_DG DG 47 .   ? 2.043   -6.600  21.126  1.00 1.34  1   DG 1 
HETATM 3895 C C33   . LIG_DG DG 47 .   ? 1.595   -6.995  22.032  1.00 1.28  1   DG 1 
HETATM 3896 C C34   . LIG_DG DG 47 .   ? 0.915   -6.956  22.962  1.00 1.31  1   DG 1 
HETATM 3897 C C35   . LIG_DG DG 47 .   ? 0.672   -6.389  23.864  1.00 1.38  1   DG 1 
HETATM 3898 C C36   . LIG_DG DG 47 .   ? -0.081  -6.272  24.795  1.00 1.45  1   DG 1 
HETATM 3899 C C37   . LIG_DG DG 47 .   ? -0.266  -5.357  25.638  1.00 1.50  1   DG 1 
HETATM 3900 C C38   . LIG_DG DG 47 .   ? -1.167  -5.241  26.513  1.00 1.35  1   DG 1 
HETATM 3901 C C39   . LIG_DG DG 47 .   ? -1.403  -4.181  27.237  1.00 1.40  1   DG 1 
HETATM 3902 C C1    . LIG_BH BH 48 .   ? -12.459 6.656   9.153   1.00 1.37  1   BH 1 
HETATM 3903 C C2    . LIG_BH BH 48 .   ? -12.822 7.390   10.181  1.00 1.33  1   BH 1 
HETATM 3904 C C3    . LIG_BH BH 48 .   ? -13.198 6.956   11.251  1.00 1.30  1   BH 1 
HETATM 3905 C C4    . LIG_BH BH 48 .   ? -13.527 7.517   12.305  1.00 1.29  1   BH 1 
HETATM 3906 C C5    . LIG_BH BH 48 .   ? -13.781 7.010   13.352  1.00 1.32  1   BH 1 
HETATM 3907 C C6    . LIG_BH BH 48 .   ? -14.207 7.312   14.402  1.00 1.27  1   BH 1 
HETATM 3908 C C7    . LIG_BH BH 48 .   ? -14.390 6.695   15.377  1.00 1.29  1   BH 1 
HETATM 3909 C C8    . LIG_BH BH 48 .   ? -15.173 6.921   16.189  1.00 1.33  1   BH 1 
HETATM 3910 C C9    . LIG_BH BH 48 .   ? -15.417 7.792   16.856  1.00 1.34  1   BH 1 
HETATM 3911 C C10   . LIG_BH BH 48 .   ? -16.217 8.012   17.634  1.00 1.39  1   BH 1 
HETATM 3912 C C11   . LIG_BH BH 48 .   ? -17.127 7.511   18.093  1.00 1.43  1   BH 1 
HETATM 3913 C C12   . LIG_BH BH 48 .   ? -17.928 7.748   18.996  1.00 1.54  1   BH 1 
HETATM 3914 C C13   . LIG_BH BH 48 .   ? -18.889 7.054   19.329  1.00 1.37  1   BH 1 
HETATM 3915 C C14   . LIG_BH BH 48 .   ? -19.662 7.298   20.255  1.00 1.36  1   BH 1 
HETATM 3916 C C15   . LIG_BH BH 48 .   ? -20.658 6.733   20.620  1.00 1.34  1   BH 1 
HETATM 3917 C C16   . LIG_BH BH 48 .   ? -21.411 6.946   21.588  1.00 1.33  1   BH 1 
HETATM 3918 C C17   . LIG_BH BH 48 .   ? -22.418 6.253   21.873  1.00 1.20  1   BH 1 
HETATM 3919 C C18   . LIG_BH BH 48 .   ? -23.150 6.483   22.963  1.00 1.22  1   BH 1 
HETATM 3920 O O1    . LIG_BH BH 48 .   ? -24.317 6.321   22.947  1.00 1.43  1   BH 1 
HETATM 3921 O O2    . LIG_BH BH 48 .   ? -22.508 6.861   23.941  1.00 1.42  1   BH 1 
HETATM 3922 C C19   . LIG_BH BH 48 .   ? -23.211 7.024   25.045  1.00 1.17  1   BH 1 
HETATM 3923 C C20   . LIG_BH BH 48 .   ? -22.331 7.318   26.168  1.00 1.21  1   BH 1 
HETATM 3924 C C21   . LIG_BH BH 48 .   ? -23.049 7.067   27.429  1.00 1.20  1   BH 1 
HETATM 3925 O O3    . LIG_BH BH 48 .   ? -24.132 7.891   27.537  1.00 1.24  1   BH 1 
HETATM 3926 P P1    . LIG_BH BH 48 .   ? -25.235 7.697   28.637  1.00 1.27  1   BH 1 
HETATM 3927 O O4    . LIG_BH BH 48 .   ? -26.100 6.653   28.196  1.00 1.17  1   BH 1 
HETATM 3928 O O5    . LIG_BH BH 48 .   ? -25.780 8.977   28.901  1.00 1.17  1   BH 1 
HETATM 3929 O O6    . LIG_BH BH 48 .   ? -24.400 7.254   29.883  1.00 1.18  1   BH 1 
HETATM 3930 C C22   . LIG_BH BH 48 .   ? -23.890 6.166   30.128  1.00 1.22  1   BH 1 
HETATM 3931 C C23   . LIG_BH BH 48 .   ? -24.271 5.580   31.295  1.00 1.20  1   BH 1 
HETATM 3932 N N1    . LIG_BH BH 48 .   ? -25.360 4.882   31.161  1.00 1.66  1   BH 1 
HETATM 3933 O O7    . LIG_BH BH 48 .   ? -21.970 8.651   26.121  1.00 1.20  1   BH 1 
HETATM 3934 C C24   . LIG_BH BH 48 .   ? -20.758 8.910   26.380  1.00 1.22  1   BH 1 
HETATM 3935 O O8    . LIG_BH BH 48 .   ? -19.991 8.065   26.711  1.00 1.24  1   BH 1 
HETATM 3936 C C25   . LIG_BH BH 48 .   ? -20.402 10.244  26.247  1.00 1.20  1   BH 1 
HETATM 3937 C C26   . LIG_BH BH 48 .   ? -19.098 10.460  25.939  1.00 1.28  1   BH 1 
HETATM 3938 C C27   . LIG_BH BH 48 .   ? -18.703 10.004  24.741  1.00 1.28  1   BH 1 
HETATM 3939 C C28   . LIG_BH BH 48 .   ? -17.498 10.195  24.364  1.00 1.17  1   BH 1 
HETATM 3940 C C29   . LIG_BH BH 48 .   ? -17.007 9.774   23.281  1.00 1.19  1   BH 1 
HETATM 3941 C C30   . LIG_BH BH 48 .   ? -15.941 9.844   22.784  1.00 1.21  1   BH 1 
HETATM 3942 C C31   . LIG_BH BH 48 .   ? -15.347 9.588   21.832  1.00 1.18  1   BH 1 
HETATM 3943 C C32   . LIG_BH BH 48 .   ? -14.386 9.665   21.297  1.00 1.20  1   BH 1 
HETATM 3944 C C33   . LIG_BH BH 48 .   ? -13.652 9.629   20.518  1.00 1.19  1   BH 1 
HETATM 3945 C C34   . LIG_BH BH 48 .   ? -12.734 9.592   19.976  1.00 1.18  1   BH 1 
HETATM 3946 C C35   . LIG_BH BH 48 .   ? -12.011 9.489   19.191  1.00 1.19  1   BH 1 
HETATM 3947 C C36   . LIG_BH BH 48 .   ? -11.469 8.696   18.563  1.00 1.24  1   BH 1 
HETATM 3948 C C37   . LIG_BH BH 48 .   ? -10.742 8.608   17.638  1.00 1.26  1   BH 1 
HETATM 3949 C C38   . LIG_BH BH 48 .   ? -10.329 7.614   17.060  1.00 1.23  1   BH 1 
HETATM 3950 C C39   . LIG_BH BH 48 .   ? -9.683  7.419   16.090  1.00 1.23  1   BH 1 
HETATM 3951 C C40   . LIG_BH BH 48 .   ? -9.431  6.435   15.490  1.00 1.30  1   BH 1 
HETATM 3952 C C41   . LIG_BH BH 48 .   ? -8.815  6.061   14.469  1.00 1.27  1   BH 1 
HETATM 3953 C C1    . LIG_DH DH 49 .   ? -22.404 -10.582 6.822   1.00 1.49  1   DH 1 
HETATM 3954 C C2    . LIG_DH DH 49 .   ? -22.805 -9.701  7.607   1.00 1.40  1   DH 1 
HETATM 3955 C C3    . LIG_DH DH 49 .   ? -23.196 -9.150  8.357   1.00 1.30  1   DH 1 
HETATM 3956 C C4    . LIG_DH DH 49 .   ? -23.604 -8.400  9.164   1.00 1.27  1   DH 1 
HETATM 3957 C C5    . LIG_DH DH 49 .   ? -24.375 -8.290  9.956   1.00 1.26  1   DH 1 
HETATM 3958 C C6    . LIG_DH DH 49 .   ? -25.040 -8.297  10.816  1.00 1.21  1   DH 1 
HETATM 3959 C C7    . LIG_DH DH 49 .   ? -25.811 -8.561  11.532  1.00 1.23  1   DH 1 
HETATM 3960 C C8    . LIG_DH DH 49 .   ? -26.462 -8.642  12.404  1.00 1.27  1   DH 1 
HETATM 3961 C C9    . LIG_DH DH 49 .   ? -27.186 -8.872  13.151  1.00 1.33  1   DH 1 
HETATM 3962 C C10   . LIG_DH DH 49 .   ? -27.869 -9.009  13.977  1.00 1.34  1   DH 1 
HETATM 3963 C C11   . LIG_DH DH 49 .   ? -28.572 -9.266  14.760  1.00 1.34  1   DH 1 
HETATM 3964 C C12   . LIG_DH DH 49 .   ? -29.214 -9.220  15.662  1.00 1.43  1   DH 1 
HETATM 3965 C C13   . LIG_DH DH 49 .   ? -29.867 -9.492  16.512  1.00 1.32  1   DH 1 
HETATM 3966 C C14   . LIG_DH DH 49 .   ? -30.521 -9.222  17.350  1.00 1.32  1   DH 1 
HETATM 3967 C C15   . LIG_DH DH 49 .   ? -31.176 -9.448  18.302  1.00 1.32  1   DH 1 
HETATM 3968 C C16   . LIG_DH DH 49 .   ? -31.925 -8.602  18.857  1.00 1.30  1   DH 1 
HETATM 3969 C C17   . LIG_DH DH 49 .   ? -32.607 -8.844  19.942  1.00 1.20  1   DH 1 
HETATM 3970 C C18   . LIG_DH DH 49 .   ? -33.473 -7.853  20.281  1.00 1.21  1   DH 1 
HETATM 3971 O O1    . LIG_DH DH 49 .   ? -34.637 -8.022  20.150  1.00 1.33  1   DH 1 
HETATM 3972 O O2    . LIG_DH DH 49 .   ? -32.973 -6.791  20.685  1.00 1.35  1   DH 1 
HETATM 3973 C C19   . LIG_DH DH 49 .   ? -33.831 -5.853  21.088  1.00 1.15  1   DH 1 
HETATM 3974 C C20   . LIG_DH DH 49 .   ? -33.146 -4.622  21.415  1.00 1.20  1   DH 1 
HETATM 3975 C C21   . LIG_DH DH 49 .   ? -34.013 -3.729  22.220  1.00 1.18  1   DH 1 
HETATM 3976 O O3    . LIG_DH DH 49 .   ? -35.295 -4.165  22.179  1.00 1.22  1   DH 1 
HETATM 3977 P P1    . LIG_DH DH 49 .   ? -36.510 -3.294  22.666  1.00 1.28  1   DH 1 
HETATM 3978 O O4    . LIG_DH DH 49 .   ? -37.319 -4.203  23.421  1.00 1.20  1   DH 1 
HETATM 3979 O O5    . LIG_DH DH 49 .   ? -37.114 -2.853  21.478  1.00 1.20  1   DH 1 
HETATM 3980 O O6    . LIG_DH DH 49 .   ? -35.953 -2.250  23.454  1.00 1.22  1   DH 1 
HETATM 3981 O O7    . LIG_DH DH 49 .   ? -32.866 -3.961  20.234  1.00 1.27  1   DH 1 
HETATM 3982 C C22   . LIG_DH DH 49 .   ? -31.670 -3.739  20.057  1.00 1.34  1   DH 1 
HETATM 3983 O O8    . LIG_DH DH 49 .   ? -30.852 -4.134  20.827  1.00 1.31  1   DH 1 
HETATM 3984 C C23   . LIG_DH DH 49 .   ? -31.341 -3.082  18.927  1.00 1.24  1   DH 1 
HETATM 3985 C C24   . LIG_DH DH 49 .   ? -30.264 -3.594  18.401  1.00 1.34  1   DH 1 
HETATM 3986 C C25   . LIG_DH DH 49 .   ? -29.662 -3.091  17.449  1.00 1.34  1   DH 1 
HETATM 3987 C C26   . LIG_DH DH 49 .   ? -28.581 -3.640  17.021  1.00 1.36  1   DH 1 
HETATM 3988 C C27   . LIG_DH DH 49 .   ? -27.754 -3.155  16.287  1.00 1.29  1   DH 1 
HETATM 3989 C C28   . LIG_DH DH 49 .   ? -26.615 -3.475  15.984  1.00 1.22  1   DH 1 
HETATM 3990 C C29   . LIG_DH DH 49 .   ? -25.716 -2.962  15.451  1.00 1.22  1   DH 1 
HETATM 3991 C C30   . LIG_DH DH 49 .   ? -24.645 -2.832  15.153  1.00 1.24  1   DH 1 
HETATM 3992 C C31   . LIG_DH DH 49 .   ? -23.707 -2.396  14.811  1.00 1.24  1   DH 1 
HETATM 3993 C C32   . LIG_DH DH 49 .   ? -22.703 -2.011  14.613  1.00 1.26  1   DH 1 
HETATM 3994 C C33   . LIG_DH DH 49 .   ? -21.864 -1.396  14.421  1.00 1.23  1   DH 1 
HETATM 3995 C C34   . LIG_DH DH 49 .   ? -20.935 -0.968  14.174  1.00 1.22  1   DH 1 
HETATM 3996 C C35   . LIG_DH DH 49 .   ? -19.999 -0.602  13.772  1.00 1.24  1   DH 1 
HETATM 3997 C C36   . LIG_DH DH 49 .   ? -19.115 -0.500  13.195  1.00 1.26  1   DH 1 
HETATM 3998 C C37   . LIG_DH DH 49 .   ? -18.104 -0.309  12.707  1.00 1.32  1   DH 1 
HETATM 3999 C C38   . LIG_DH DH 49 .   ? -17.634 -0.727  11.700  1.00 1.25  1   DH 1 
HETATM 4000 C C39   . LIG_DH DH 49 .   ? -16.547 -0.777  11.115  1.00 1.30  1   DH 1 
HETATM 4001 C C1    . LIG_BI BI 50 .   ? -0.854  0.645   27.560  1.00 1.48  1   BI 1 
HETATM 4002 C C2    . LIG_BI BI 50 .   ? -0.785  1.352   26.935  1.00 1.70  1   BI 1 
HETATM 4003 C C3    . LIG_BI BI 50 .   ? -0.312  2.011   26.220  1.00 1.81  1   BI 1 
HETATM 4004 C C4    . LIG_BI BI 50 .   ? 0.300   2.554   25.489  1.00 1.90  1   BI 1 
HETATM 4005 C C5    . LIG_BI BI 50 .   ? 0.989   3.057   24.761  1.00 1.80  1   BI 1 
HETATM 4006 C C6    . LIG_BI BI 50 .   ? 1.773   3.425   24.042  1.00 1.68  1   BI 1 
HETATM 4007 C C7    . LIG_BI BI 50 .   ? 2.581   3.690   23.349  1.00 1.66  1   BI 1 
HETATM 4008 C C8    . LIG_BI BI 50 .   ? 3.452   3.868   22.676  1.00 1.70  1   BI 1 
HETATM 4009 C C9    . LIG_BI BI 50 .   ? 4.315   3.996   22.044  1.00 1.79  1   BI 1 
HETATM 4010 C C10   . LIG_BI BI 50 .   ? 5.231   4.089   21.384  1.00 1.89  1   BI 1 
HETATM 4011 C C11   . LIG_BI BI 50 .   ? 6.125   4.139   20.749  1.00 1.82  1   BI 1 
HETATM 4012 C C12   . LIG_BI BI 50 .   ? 7.042   4.179   20.089  1.00 1.93  1   BI 1 
HETATM 4013 C C13   . LIG_BI BI 50 .   ? 7.932   4.191   19.434  1.00 1.60  1   BI 1 
HETATM 4014 C C14   . LIG_BI BI 50 .   ? 8.814   4.157   18.730  1.00 1.60  1   BI 1 
HETATM 4015 C C15   . LIG_BI BI 50 .   ? 9.650   4.061   18.046  1.00 1.60  1   BI 1 
HETATM 4016 C C16   . LIG_BI BI 50 .   ? 10.493  3.976   17.251  1.00 1.62  1   BI 1 
HETATM 4017 C C17   . LIG_BI BI 50 .   ? 11.278  3.772   16.639  1.00 1.44  1   BI 1 
HETATM 4018 C C18   . LIG_BI BI 50 .   ? 12.122  3.653   15.696  1.00 1.54  1   BI 1 
HETATM 4019 O O1    . LIG_BI BI 50 .   ? 11.995  4.234   14.688  1.00 2.45  1   BI 1 
HETATM 4020 O O2    . LIG_BI BI 50 .   ? 13.001  2.894   15.972  1.00 2.08  1   BI 1 
HETATM 4021 C C19   . LIG_BI BI 50 .   ? 13.919  2.729   15.070  1.00 1.49  1   BI 1 
HETATM 4022 C C20   . LIG_BI BI 50 .   ? 15.068  2.101   15.667  1.00 1.55  1   BI 1 
HETATM 4023 C C21   . LIG_BI BI 50 .   ? 16.079  1.891   14.612  1.00 1.59  1   BI 1 
HETATM 4024 O O3    . LIG_BI BI 50 .   ? 16.287  0.588   14.466  1.00 1.54  1   BI 1 
HETATM 4025 P P1    . LIG_BI BI 50 .   ? 17.121  0.007   13.337  1.00 1.88  1   BI 1 
HETATM 4026 O O4    . LIG_BI BI 50 .   ? 17.750  1.050   12.584  1.00 1.65  1   BI 1 
HETATM 4027 O O5    . LIG_BI BI 50 .   ? 17.908  -1.030  13.818  1.00 1.49  1   BI 1 
HETATM 4028 O O6    . LIG_BI BI 50 .   ? 15.902  -0.534  12.566  1.00 1.58  1   BI 1 
HETATM 4029 C C22   . LIG_BI BI 50 .   ? 15.921  -1.283  11.631  1.00 1.73  1   BI 1 
HETATM 4030 C C23   . LIG_BI BI 50 .   ? 14.694  -1.583  11.309  1.00 1.68  1   BI 1 
HETATM 4031 N N1    . LIG_BI BI 50 .   ? 13.946  -1.542  11.512  1.00 3.28  1   BI 1 
HETATM 4032 O O7    . LIG_BI BI 50 .   ? 14.691  0.879   16.190  1.00 1.63  1   BI 1 
HETATM 4033 C C24   . LIG_BI BI 50 .   ? 14.933  0.722   17.421  1.00 1.45  1   BI 1 
HETATM 4034 O O8    . LIG_BI BI 50 .   ? 15.602  1.514   18.026  1.00 1.43  1   BI 1 
HETATM 4035 C C25   . LIG_BI BI 50 .   ? 14.376  -0.274  18.024  1.00 1.42  1   BI 1 
HETATM 4036 C C26   . LIG_BI BI 50 .   ? 13.766  -0.321  18.999  1.00 1.63  1   BI 1 
HETATM 4037 C C27   . LIG_BI BI 50 .   ? 13.103  -0.665  19.796  1.00 1.76  1   BI 1 
HETATM 4038 C C28   . LIG_BI BI 50 .   ? 12.378  -0.841  20.627  1.00 1.53  1   BI 1 
HETATM 4039 C C29   . LIG_BI BI 50 .   ? 11.611  -1.095  21.384  1.00 1.55  1   BI 1 
HETATM 4040 C C30   . LIG_BI BI 50 .   ? 10.803  -1.304  22.124  1.00 1.61  1   BI 1 
HETATM 4041 C C31   . LIG_BI BI 50 .   ? 9.946   -1.494  22.791  1.00 1.59  1   BI 1 
HETATM 4042 C C32   . LIG_BI BI 50 .   ? 9.071   -1.649  23.420  1.00 1.62  1   BI 1 
HETATM 4043 C C33   . LIG_BI BI 50 .   ? 8.160   -1.747  24.015  1.00 1.59  1   BI 1 
HETATM 4044 C C34   . LIG_BI BI 50 .   ? 7.225   -1.819  24.617  1.00 1.54  1   BI 1 
HETATM 4045 C C35   . LIG_BI BI 50 .   ? 6.294   -1.848  25.221  1.00 1.62  1   BI 1 
HETATM 4046 C C36   . LIG_BI BI 50 .   ? 5.347   -1.833  25.830  1.00 1.68  1   BI 1 
HETATM 4047 C C37   . LIG_BI BI 50 .   ? 4.393   -1.780  26.427  1.00 1.65  1   BI 1 
HETATM 4048 C C38   . LIG_BI BI 50 .   ? 3.425   -1.692  27.015  1.00 1.46  1   BI 1 
HETATM 4049 C C39   . LIG_BI BI 50 .   ? 2.456   -1.585  27.579  1.00 1.49  1   BI 1 
HETATM 4050 C C40   . LIG_BI BI 50 .   ? 1.508   -1.446  28.105  1.00 1.48  1   BI 1 
HETATM 4051 C C41   . LIG_BI BI 50 .   ? 0.572   -1.242  28.585  1.00 1.29  1   BI 1 
HETATM 4052 C C1    . LIG_DI DI 51 .   ? -4.016  3.630   24.550  1.00 1.36  1   DI 1 
HETATM 4053 C C2    . LIG_DI DI 51 .   ? -3.058  3.769   23.683  1.00 1.30  1   DI 1 
HETATM 4054 C C3    . LIG_DI DI 51 .   ? -3.048  3.622   22.461  1.00 1.29  1   DI 1 
HETATM 4055 C C4    . LIG_DI DI 51 .   ? -2.202  3.784   21.589  1.00 1.30  1   DI 1 
HETATM 4056 C C5    . LIG_DI DI 51 .   ? -2.040  3.577   20.423  1.00 1.35  1   DI 1 
HETATM 4057 C C6    . LIG_DI DI 51 .   ? -1.190  3.566   19.639  1.00 1.30  1   DI 1 
HETATM 4058 C C7    . LIG_DI DI 51 .   ? -0.891  3.112   18.616  1.00 1.30  1   DI 1 
HETATM 4059 C C8    . LIG_DI DI 51 .   ? 0.069   2.817   18.186  1.00 1.39  1   DI 1 
HETATM 4060 C C9    . LIG_DI DI 51 .   ? 1.021   2.562   17.891  1.00 1.41  1   DI 1 
HETATM 4061 C C10   . LIG_DI DI 51 .   ? 2.100   2.360   17.686  1.00 1.40  1   DI 1 
HETATM 4062 C C11   . LIG_DI DI 51 .   ? 3.147   2.329   17.457  1.00 1.38  1   DI 1 
HETATM 4063 C C12   . LIG_DI DI 51 .   ? 4.227   2.097   17.195  1.00 1.46  1   DI 1 
HETATM 4064 C C13   . LIG_DI DI 51 .   ? 5.256   2.278   16.713  1.00 1.39  1   DI 1 
HETATM 4065 C C14   . LIG_DI DI 51 .   ? 6.237   1.815   16.222  1.00 1.48  1   DI 1 
HETATM 4066 C C15   . LIG_DI DI 51 .   ? 7.124   2.174   15.534  1.00 1.43  1   DI 1 
HETATM 4067 C C16   . LIG_DI DI 51 .   ? 8.077   1.612   14.942  1.00 1.53  1   DI 1 
HETATM 4068 C C17   . LIG_DI DI 51 .   ? 8.451   1.981   13.821  1.00 1.40  1   DI 1 
HETATM 4069 C C18   . LIG_DI DI 51 .   ? 9.617   1.642   13.284  1.00 1.48  1   DI 1 
HETATM 4070 O O1    . LIG_DI DI 51 .   ? 10.270  0.726   13.656  1.00 1.76  1   DI 1 
HETATM 4071 O O2    . LIG_DI DI 51 .   ? 9.919   2.413   12.388  1.00 1.86  1   DI 1 
HETATM 4072 C C19   . LIG_DI DI 51 .   ? 11.118  2.246   11.885  1.00 1.43  1   DI 1 
HETATM 4073 C C20   . LIG_DI DI 51 .   ? 11.365  3.214   10.822  1.00 1.74  1   DI 1 
HETATM 4074 C C21   . LIG_DI DI 51 .   ? 12.704  2.924   10.242  1.00 1.72  1   DI 1 
HETATM 4075 O O3    . LIG_DI DI 51 .   ? 12.827  3.615   9.094   1.00 1.97  1   DI 1 
HETATM 4076 P P1    . LIG_DI DI 51 .   ? 14.246  4.002   8.520   1.00 2.93  1   DI 1 
HETATM 4077 O O4    . LIG_DI DI 51 .   ? 13.985  4.165   7.103   1.00 2.61  1   DI 1 
HETATM 4078 O O5    . LIG_DI DI 51 .   ? 15.122  2.920   8.838   1.00 2.72  1   DI 1 
HETATM 4079 O O6    . LIG_DI DI 51 .   ? 14.589  5.245   9.156   1.00 3.11  1   DI 1 
HETATM 4080 O O7    . LIG_DI DI 51 .   ? 11.415  4.493   11.363  1.00 1.76  1   DI 1 
HETATM 4081 C C22   . LIG_DI DI 51 .   ? 10.675  5.386   10.817  1.00 1.95  1   DI 1 
HETATM 4082 O O8    . LIG_DI DI 51 .   ? 9.856   5.101   10.011  1.00 1.74  1   DI 1 
HETATM 4083 C C23   . LIG_DI DI 51 .   ? 10.927  6.711   11.230  1.00 1.74  1   DI 1 
HETATM 4084 C C24   . LIG_DI DI 51 .   ? 9.832   7.289   11.812  1.00 1.89  1   DI 1 
HETATM 4085 C C25   . LIG_DI DI 51 .   ? 9.523   6.795   13.006  1.00 1.92  1   DI 1 
HETATM 4086 C C26   . LIG_DI DI 51 .   ? 8.495   7.140   13.604  1.00 1.88  1   DI 1 
HETATM 4087 C C27   . LIG_DI DI 51 .   ? 7.956   6.632   14.555  1.00 1.71  1   DI 1 
HETATM 4088 C C28   . LIG_DI DI 51 .   ? 6.974   6.570   15.055  1.00 1.46  1   DI 1 
HETATM 4089 C C29   . LIG_DI DI 51 .   ? 5.979   6.385   15.241  1.00 1.44  1   DI 1 
HETATM 4090 C C30   . LIG_DI DI 51 .   ? 4.901   6.375   15.174  1.00 1.45  1   DI 1 
HETATM 4091 C C31   . LIG_DI DI 51 .   ? 3.856   6.431   14.990  1.00 1.45  1   DI 1 
HETATM 4092 C C32   . LIG_DI DI 51 .   ? 2.767   6.504   15.028  1.00 1.52  1   DI 1 
HETATM 4093 C C33   . LIG_DI DI 51 .   ? 1.818   6.809   15.436  1.00 1.42  1   DI 1 
HETATM 4094 C C34   . LIG_DI DI 51 .   ? 1.208   6.554   16.372  1.00 1.37  1   DI 1 
HETATM 4095 C C35   . LIG_DI DI 51 .   ? 1.439   6.899   17.503  1.00 1.41  1   DI 1 
HETATM 4096 C C36   . LIG_DI DI 51 .   ? 1.952   6.218   18.431  1.00 1.49  1   DI 1 
HETATM 4097 C C37   . LIG_DI DI 51 .   ? 2.921   6.563   19.167  1.00 1.55  1   DI 1 
HETATM 4098 C C38   . LIG_DI DI 51 .   ? 2.692   7.234   20.224  1.00 1.48  1   DI 1 
HETATM 4099 C C39   . LIG_DI DI 51 .   ? 1.705   6.906   21.033  1.00 1.54  1   DI 1 
HETATM 4100 C C1    . LIG_BJ BJ 52 .   ? -10.346 16.150  17.443  1.00 1.44  1   BJ 1 
HETATM 4101 C C2    . LIG_BJ BJ 52 .   ? -9.281  16.202  16.769  1.00 1.45  1   BJ 1 
HETATM 4102 C C3    . LIG_BJ BJ 52 .   ? -9.039  16.165  15.593  1.00 1.46  1   BJ 1 
HETATM 4103 C C4    . LIG_BJ BJ 52 .   ? -8.056  16.147  14.902  1.00 1.45  1   BJ 1 
HETATM 4104 C C5    . LIG_BJ BJ 52 .   ? -7.931  16.150  13.675  1.00 1.43  1   BJ 1 
HETATM 4105 C C6    . LIG_BJ BJ 52 .   ? -7.529  16.974  12.981  1.00 1.38  1   BJ 1 
HETATM 4106 C C7    . LIG_BJ BJ 52 .   ? -7.368  17.185  11.843  1.00 1.37  1   BJ 1 
HETATM 4107 C C8    . LIG_BJ BJ 52 .   ? -6.908  18.116  11.335  1.00 1.43  1   BJ 1 
HETATM 4108 C C9    . LIG_BJ BJ 52 .   ? -6.163  18.554  10.764  1.00 1.52  1   BJ 1 
HETATM 4109 C C10   . LIG_BJ BJ 52 .   ? -5.381  19.132  10.257  1.00 1.60  1   BJ 1 
HETATM 4110 C C11   . LIG_BJ BJ 52 .   ? -4.518  19.472  9.801   1.00 1.74  1   BJ 1 
HETATM 4111 C C12   . LIG_BJ BJ 52 .   ? -3.776  20.075  9.140   1.00 2.06  1   BJ 1 
HETATM 4112 C C13   . LIG_BJ BJ 52 .   ? -2.828  19.629  8.643   1.00 1.91  1   BJ 1 
HETATM 4113 C C14   . LIG_BJ BJ 52 .   ? -2.275  19.453  7.613   1.00 2.16  1   BJ 1 
HETATM 4114 C C15   . LIG_BJ BJ 52 .   ? -1.588  18.520  7.255   1.00 2.28  1   BJ 1 
HETATM 4115 C C16   . LIG_BJ BJ 52 .   ? -0.840  18.276  6.283   1.00 2.60  1   BJ 1 
HETATM 4116 C C17   . LIG_BJ BJ 52 .   ? 0.053   19.210  6.044   1.00 2.17  1   BJ 1 
HETATM 4117 C C18   . LIG_BJ BJ 52 .   ? 1.267   19.129  6.660   1.00 2.35  1   BJ 1 
HETATM 4118 O O1    . LIG_BJ BJ 52 .   ? 1.449   18.504  7.658   1.00 2.89  1   BJ 1 
HETATM 4119 O O2    . LIG_BJ BJ 52 .   ? 2.112   19.763  6.087   1.00 2.89  1   BJ 1 
HETATM 4120 C C19   . LIG_BJ BJ 52 .   ? 3.322   19.321  6.234   1.00 2.61  1   BJ 1 
HETATM 4121 C C20   . LIG_BJ BJ 52 .   ? 4.323   20.333  6.496   1.00 3.13  1   BJ 1 
HETATM 4122 C C21   . LIG_BJ BJ 52 .   ? 5.581   19.893  5.861   1.00 3.28  1   BJ 1 
HETATM 4123 O O3    . LIG_BJ BJ 52 .   ? 5.687   20.368  4.622   1.00 3.75  1   BJ 1 
HETATM 4124 P P1    . LIG_BJ BJ 52 .   ? 7.058   20.428  3.918   1.00 4.35  1   BJ 1 
HETATM 4125 O O4    . LIG_BJ BJ 52 .   ? 6.807   20.184  2.534   1.00 3.90  1   BJ 1 
HETATM 4126 O O5    . LIG_BJ BJ 52 .   ? 8.016   19.653  4.590   1.00 3.68  1   BJ 1 
HETATM 4127 O O6    . LIG_BJ BJ 52 .   ? 7.345   21.918  4.131   1.00 3.10  1   BJ 1 
HETATM 4128 C C22   . LIG_BJ BJ 52 .   ? 7.557   22.715  3.147   1.00 3.30  1   BJ 1 
HETATM 4129 C C23   . LIG_BJ BJ 52 .   ? 7.148   23.987  3.440   1.00 2.62  1   BJ 1 
HETATM 4130 N N1    . LIG_BJ BJ 52 .   ? 7.163   24.368  4.646   1.00 5.46  1   BJ 1 
HETATM 4131 O O7    . LIG_BJ BJ 52 .   ? 4.545   20.344  7.860   1.00 2.51  1   BJ 1 
HETATM 4132 C C24   . LIG_BJ BJ 52 .   ? 5.217   21.280  8.326   1.00 2.42  1   BJ 1 
HETATM 4133 O O8    . LIG_BJ BJ 52 .   ? 5.600   22.205  7.691   1.00 1.98  1   BJ 1 
HETATM 4134 C C25   . LIG_BJ BJ 52 .   ? 5.482   21.120  9.662   1.00 2.10  1   BJ 1 
HETATM 4135 C C26   . LIG_BJ BJ 52 .   ? 5.617   22.270  10.368  1.00 2.30  1   BJ 1 
HETATM 4136 C C27   . LIG_BJ BJ 52 .   ? 4.474   22.877  10.666  1.00 2.14  1   BJ 1 
HETATM 4137 C C28   . LIG_BJ BJ 52 .   ? 4.055   22.743  11.881  1.00 1.61  1   BJ 1 
HETATM 4138 C C29   . LIG_BJ BJ 52 .   ? 3.174   21.938  12.126  1.00 1.57  1   BJ 1 
HETATM 4139 C C30   . LIG_BJ BJ 52 .   ? 2.465   21.487  12.836  1.00 1.54  1   BJ 1 
HETATM 4140 C C31   . LIG_BJ BJ 52 .   ? 1.649   20.720  13.112  1.00 1.44  1   BJ 1 
HETATM 4141 C C32   . LIG_BJ BJ 52 .   ? 0.907   20.529  13.860  1.00 1.51  1   BJ 1 
HETATM 4142 C C33   . LIG_BJ BJ 52 .   ? 0.208   20.154  14.562  1.00 1.43  1   BJ 1 
HETATM 4143 C C34   . LIG_BJ BJ 52 .   ? -0.408  20.102  15.428  1.00 1.43  1   BJ 1 
HETATM 4144 C C35   . LIG_BJ BJ 52 .   ? -0.942  19.826  16.352  1.00 1.41  1   BJ 1 
HETATM 4145 C C36   . LIG_BJ BJ 52 .   ? -1.434  20.033  17.311  1.00 1.45  1   BJ 1 
HETATM 4146 C C37   . LIG_BJ BJ 52 .   ? -1.948  19.744  18.310  1.00 1.47  1   BJ 1 
HETATM 4147 C C38   . LIG_BJ BJ 52 .   ? -2.426  20.246  19.280  1.00 1.42  1   BJ 1 
HETATM 4148 C C39   . LIG_BJ BJ 52 .   ? -2.981  19.918  20.310  1.00 1.39  1   BJ 1 
HETATM 4149 C C40   . LIG_BJ BJ 52 .   ? -3.459  20.261  21.273  1.00 1.45  1   BJ 1 
HETATM 4150 C C41   . LIG_BJ BJ 52 .   ? -4.054  20.023  22.333  1.00 1.35  1   BJ 1 
HETATM 4151 C C1    . LIG_DJ DJ 53 .   ? -7.713  -5.161  19.668  1.00 1.45  1   DJ 1 
HETATM 4152 C C2    . LIG_DJ DJ 53 .   ? -6.873  -4.551  18.891  1.00 1.38  1   DJ 1 
HETATM 4153 C C3    . LIG_DJ DJ 53 .   ? -6.035  -5.032  18.142  1.00 1.30  1   DJ 1 
HETATM 4154 C C4    . LIG_DJ DJ 53 .   ? -5.100  -4.647  17.472  1.00 1.33  1   DJ 1 
HETATM 4155 C C5    . LIG_DJ DJ 53 .   ? -4.224  -5.195  16.867  1.00 1.36  1   DJ 1 
HETATM 4156 C C6    . LIG_DJ DJ 53 .   ? -3.142  -5.056  16.467  1.00 1.29  1   DJ 1 
HETATM 4157 C C7    . LIG_DJ DJ 53 .   ? -2.266  -5.663  16.050  1.00 1.26  1   DJ 1 
HETATM 4158 C C8    . LIG_DJ DJ 53 .   ? -1.220  -5.628  15.649  1.00 1.34  1   DJ 1 
HETATM 4159 C C9    . LIG_DJ DJ 53 .   ? -0.338  -5.962  15.131  1.00 1.36  1   DJ 1 
HETATM 4160 C C10   . LIG_DJ DJ 53 .   ? 0.625   -5.949  14.540  1.00 1.39  1   DJ 1 
HETATM 4161 C C11   . LIG_DJ DJ 53 .   ? 1.407   -6.238  13.798  1.00 1.44  1   DJ 1 
HETATM 4162 C C12   . LIG_DJ DJ 53 .   ? 2.439   -5.973  13.236  1.00 1.56  1   DJ 1 
HETATM 4163 C C13   . LIG_DJ DJ 53 .   ? 2.984   -6.404  12.207  1.00 1.41  1   DJ 1 
HETATM 4164 C C14   . LIG_DJ DJ 53 .   ? 4.025   -6.023  11.652  1.00 1.45  1   DJ 1 
HETATM 4165 C C15   . LIG_DJ DJ 53 .   ? 4.499   -6.368  10.558  1.00 1.45  1   DJ 1 
HETATM 4166 C C16   . LIG_DJ DJ 53 .   ? 5.596   -6.004  10.052  1.00 1.57  1   DJ 1 
HETATM 4167 C C17   . LIG_DJ DJ 53 .   ? 5.965   -6.300  8.858   1.00 1.35  1   DJ 1 
HETATM 4168 C C18   . LIG_DJ DJ 53 .   ? 7.226   -5.936  8.485   1.00 1.44  1   DJ 1 
HETATM 4169 O O1    . LIG_DJ DJ 53 .   ? 8.077   -5.727  9.289   1.00 1.66  1   DJ 1 
HETATM 4170 O O2    . LIG_DJ DJ 53 .   ? 7.390   -5.859  7.271   1.00 1.75  1   DJ 1 
HETATM 4171 C C19   . LIG_DJ DJ 53 .   ? 8.646   -5.555  6.889   1.00 1.41  1   DJ 1 
HETATM 4172 C C20   . LIG_DJ DJ 53 .   ? 8.665   -4.790  5.653   1.00 1.54  1   DJ 1 
HETATM 4173 C C21   . LIG_DJ DJ 53 .   ? 10.067  -4.553  5.209   1.00 1.62  1   DJ 1 
HETATM 4174 O O3    . LIG_DJ DJ 53 .   ? 10.703  -5.724  4.960   1.00 2.03  1   DJ 1 
HETATM 4175 P P1    . LIG_DJ DJ 53 .   ? 12.183  -5.732  4.429   1.00 2.79  1   DJ 1 
HETATM 4176 O O4    . LIG_DJ DJ 53 .   ? 12.098  -5.178  3.094   1.00 2.88  1   DJ 1 
HETATM 4177 O O5    . LIG_DJ DJ 53 .   ? 12.943  -4.958  5.338   1.00 2.87  1   DJ 1 
HETATM 4178 O O6    . LIG_DJ DJ 53 .   ? 12.511  -7.122  4.423   1.00 2.87  1   DJ 1 
HETATM 4179 O O7    . LIG_DJ DJ 53 .   ? 8.136   -3.535  5.911   1.00 1.55  1   DJ 1 
HETATM 4180 C C22   . LIG_DJ DJ 53 .   ? 7.464   -2.992  4.985   1.00 1.73  1   DJ 1 
HETATM 4181 O O8    . LIG_DJ DJ 53 .   ? 7.339   -3.530  3.919   1.00 1.47  1   DJ 1 
HETATM 4182 C C23   . LIG_DJ DJ 53 .   ? 6.876   -1.759  5.258   1.00 1.71  1   DJ 1 
HETATM 4183 C C24   . LIG_DJ DJ 53 .   ? 5.617   -1.901  5.751   1.00 1.78  1   DJ 1 
HETATM 4184 C C25   . LIG_DJ DJ 53 .   ? 5.567   -2.020  7.053   1.00 1.81  1   DJ 1 
HETATM 4185 C C26   . LIG_DJ DJ 53 .   ? 4.463   -2.278  7.638   1.00 1.80  1   DJ 1 
HETATM 4186 C C27   . LIG_DJ DJ 53 .   ? 4.268   -2.285  8.849   1.00 1.63  1   DJ 1 
HETATM 4187 C C28   . LIG_DJ DJ 53 .   ? 3.420   -2.438  9.541   1.00 1.41  1   DJ 1 
HETATM 4188 C C29   . LIG_DJ DJ 53 .   ? 2.754   -2.474  10.376  1.00 1.40  1   DJ 1 
HETATM 4189 C C30   . LIG_DJ DJ 53 .   ? 1.833   -2.547  10.938  1.00 1.34  1   DJ 1 
HETATM 4190 C C31   . LIG_DJ DJ 53 .   ? 0.979   -2.500  11.514  1.00 1.33  1   DJ 1 
HETATM 4191 C C32   . LIG_DJ DJ 53 .   ? 0.078   -2.301  12.026  1.00 1.34  1   DJ 1 
HETATM 4192 C C33   . LIG_DJ DJ 53 .   ? -0.716  -1.859  12.484  1.00 1.27  1   DJ 1 
HETATM 4193 C C34   . LIG_DJ DJ 53 .   ? -1.593  -1.698  13.048  1.00 1.27  1   DJ 1 
HETATM 4194 C C35   . LIG_DJ DJ 53 .   ? -2.466  -1.357  13.540  1.00 1.26  1   DJ 1 
HETATM 4195 C C36   . LIG_DJ DJ 53 .   ? -3.457  -1.641  14.069  1.00 1.33  1   DJ 1 
HETATM 4196 C C37   . LIG_DJ DJ 53 .   ? -4.496  -1.086  14.323  1.00 1.33  1   DJ 1 
HETATM 4197 C C38   . LIG_DJ DJ 53 .   ? -5.579  -1.447  14.776  1.00 1.27  1   DJ 1 
HETATM 4198 C C39   . LIG_DJ DJ 53 .   ? -6.676  -0.774  14.895  1.00 1.35  1   DJ 1 
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