# 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-40dopc-10dope-gdp
#
_entry.id atrop9short-ger-40dopc-10dope-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_AH ? ?                          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_AI ? ?                          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_AJ ? ?                          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_AK ? ?                          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_AL ? ?                          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_AM ? ?                          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_AN ? ?                          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_AO ? ?                          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_AP ? ?                          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_AQ ? ?                          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_E  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_F  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_G  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_H  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_I  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_J  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_K  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_L  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_M  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_N  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_O  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_P  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_Q  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_R  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_S  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_T  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_U  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_V  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_W  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_X  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_Y  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_Z  ? ?                          CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
"C6 H15 N2 O2"      147.195 LYS    y LYSINE                     C(CC[NH3+])C[C@@H](C(=O)O)N                                                               ? "L-PEPTIDE LINKING" 
"C5 H11 N O2 S"     149.211 MET    y METHIONINE                 CSCC[C@@H](C(=O)O)N                                                                       ? "L-PEPTIDE LINKING" 
"C9 H11 N O2"       165.189 PHE    y PHENYLALANINE              c1ccc(cc1)C[C@@H](C(=O)O)N                                                                ? "L-PEPTIDE LINKING" 
"C5 H9 N O2"        115.130 PRO    y PROLINE                    C1C[C@H](NC1)C(=O)O                                                                       ? "L-PEPTIDE LINKING" 
"C3 H7 N O3"        105.093 SER    y SERINE                     C([C@@H](C(=O)O)N)O                                                                       ? "L-PEPTIDE LINKING" 
"C4 H9 N O3"        119.119 THR    y THREONINE                  C[C@H]([C@@H](C(=O)O)N)O                                                                  ? "L-PEPTIDE LINKING" 
"C11 H12 N2 O2"     204.225 TRP    y TRYPTOPHAN                 c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N                                                      ? "L-PEPTIDE LINKING" 
"C9 H11 N O3"       181.189 TYR    y TYROSINE                   c1cc(ccc1C[C@@H](C(=O)O)N)O                                                               ? "L-PEPTIDE LINKING" 
"C5 H11 N O2"       117.146 VAL    y VALINE                     CC(C)[C@@H](C(=O)O)N                                                                      ? "L-PEPTIDE LINKING" 
#
_citation.book_publisher          ?
_citation.country                 UK
_citation.id                      primary
_citation.journal_full            Nature
_citation.journal_id_ASTM         NATUAS
_citation.journal_id_CSD          0006
_citation.journal_id_ISSN         0028-0836
_citation.journal_volume          630
_citation.page_first              493
_citation.page_last               500
_citation.pdbx_database_id_DOI    10.1038/s41586-024-07487-w
_citation.pdbx_database_id_PubMed 38718835
_citation.title                   "Accurate structure prediction of biomolecular interactions with AlphaFold 3"
_citation.year                    2024
#
loop_
_citation_author.citation_id
_citation_author.name
_citation_author.ordinal
primary "Google DeepMind" 1 
primary "Isomorphic Labs" 2 
#
loop_
_entity.id
_entity.pdbx_description
_entity.type
1  . polymer     
2  . non-polymer 
3  . non-polymer 
4  . non-polymer 
5  . non-polymer 
6  . non-polymer 
7  . non-polymer 
8  . non-polymer 
9  . non-polymer 
10 . non-polymer 
11 . non-polymer 
12 . non-polymer 
13 . non-polymer 
14 . non-polymer 
15 . non-polymer 
16 . non-polymer 
17 . non-polymer 
18 . non-polymer 
19 . non-polymer 
20 . non-polymer 
21 . non-polymer 
22 . non-polymer 
23 . non-polymer 
24 . non-polymer 
25 . non-polymer 
26 . non-polymer 
27 . non-polymer 
28 . non-polymer 
29 . non-polymer 
30 . non-polymer 
31 . non-polymer 
32 . non-polymer 
33 . non-polymer 
34 . non-polymer 
35 . non-polymer 
36 . non-polymer 
37 . non-polymer 
38 . non-polymer 
39 . non-polymer 
40 . non-polymer 
41 . non-polymer 
42 . non-polymer 
43 . non-polymer 
44 . non-polymer 
45 . non-polymer 
46 . non-polymer 
47 . non-polymer 
48 . non-polymer 
49 . non-polymer 
50 . non-polymer 
51 . non-polymer 
52 . non-polymer 
53 . non-polymer 
#
_entity_poly.entity_id      1
_entity_poly.pdbx_strand_id A
_entity_poly.type           polypeptide(L)
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.hetero
_entity_poly_seq.mon_id
_entity_poly_seq.num
1 n MET 1   
1 n SER 2   
1 n ALA 3   
1 n SER 4   
1 n LYS 5   
1 n PHE 6   
1 n ILE 7   
1 n LYS 8   
1 n CYS 9   
1 n VAL 10  
1 n THR 11  
1 n VAL 12  
1 n GLY 13  
1 n ASP 14  
1 n GLY 15  
1 n ALA 16  
1 n VAL 17  
1 n GLY 18  
1 n LYS 19  
1 n THR 20  
1 n CYS 21  
1 n MET 22  
1 n LEU 23  
1 n ILE 24  
1 n CYS 25  
1 n TYR 26  
1 n THR 27  
1 n SER 28  
1 n ASN 29  
1 n LYS 30  
1 n PHE 31  
1 n PRO 32  
1 n THR 33  
1 n ASP 34  
1 n TYR 35  
1 n ILE 36  
1 n PRO 37  
1 n THR 38  
1 n VAL 39  
1 n PHE 40  
1 n ASP 41  
1 n ASN 42  
1 n PHE 43  
1 n SER 44  
1 n ALA 45  
1 n ASN 46  
1 n VAL 47  
1 n ALA 48  
1 n VAL 49  
1 n ASP 50  
1 n GLY 51  
1 n GLN 52  
1 n ILE 53  
1 n VAL 54  
1 n ASN 55  
1 n LEU 56  
1 n GLY 57  
1 n LEU 58  
1 n TRP 59  
1 n ASP 60  
1 n THR 61  
1 n ALA 62  
1 n GLY 63  
1 n GLN 64  
1 n GLU 65  
1 n ASP 66  
1 n TYR 67  
1 n SER 68  
1 n ARG 69  
1 n LEU 70  
1 n ARG 71  
1 n PRO 72  
1 n LEU 73  
1 n SER 74  
1 n TYR 75  
1 n ARG 76  
1 n GLY 77  
1 n ALA 78  
1 n ASP 79  
1 n ILE 80  
1 n PHE 81  
1 n VAL 82  
1 n LEU 83  
1 n ALA 84  
1 n PHE 85  
1 n SER 86  
1 n LEU 87  
1 n ILE 88  
1 n SER 89  
1 n LYS 90  
1 n ALA 91  
1 n SER 92  
1 n TYR 93  
1 n GLU 94  
1 n ASN 95  
1 n VAL 96  
1 n LEU 97  
1 n LYS 98  
1 n LYS 99  
1 n TRP 100 
1 n MET 101 
1 n PRO 102 
1 n GLU 103 
1 n LEU 104 
1 n ARG 105 
1 n ARG 106 
1 n PHE 107 
1 n ALA 108 
1 n PRO 109 
1 n ASN 110 
1 n VAL 111 
1 n PRO 112 
1 n ILE 113 
1 n VAL 114 
1 n LEU 115 
1 n VAL 116 
1 n GLY 117 
1 n THR 118 
1 n LYS 119 
1 n LEU 120 
1 n ASP 121 
1 n LEU 122 
1 n ARG 123 
1 n ASP 124 
1 n ASP 125 
1 n LYS 126 
1 n GLY 127 
1 n TYR 128 
1 n LEU 129 
1 n ALA 130 
1 n ASP 131 
1 n HIS 132 
1 n THR 133 
1 n ASN 134 
1 n VAL 135 
1 n ILE 136 
1 n THR 137 
1 n SER 138 
1 n THR 139 
1 n GLN 140 
1 n GLY 141 
1 n GLU 142 
1 n GLU 143 
1 n LEU 144 
1 n ARG 145 
1 n LYS 146 
1 n GLN 147 
1 n ILE 148 
1 n GLY 149 
1 n ALA 150 
1 n ALA 151 
1 n ALA 152 
1 n TYR 153 
1 n ILE 154 
1 n GLU 155 
1 n CYS 156 
1 n SER 157 
1 n SER 158 
1 n LYS 159 
1 n THR 160 
1 n GLN 161 
1 n GLN 162 
1 n ASN 163 
1 n VAL 164 
1 n LYS 165 
1 n ALA 166 
1 n VAL 167 
1 n PHE 168 
1 n ASP 169 
1 n THR 170 
1 n ALA 171 
1 n ILE 172 
1 n LYS 173 
1 n VAL 174 
1 n VAL 175 
1 n LEU 176 
1 n GLN 177 
1 n PRO 178 
1 n PRO 179 
1 n ARG 180 
1 n ARG 181 
1 n LYS 182 
1 n GLU 183 
1 n VAL 184 
1 n PRO 185 
1 n ARG 186 
1 n ARG 187 
1 n ARG 188 
1 n LYS 189 
1 n ASN 190 
1 n HIS 191 
1 n ARG 192 
1 n ARG 193 
1 n SER 194 
1 n GLY 195 
1 n CYS 196 
#
_ma_data.content_type "model coordinates"
_ma_data.id           1
_ma_data.name         Model
#
_ma_model_list.data_id          1
_ma_model_list.model_group_id   1
_ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.1 @ 2025-09-22 16:12:05)"
_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 30.20
_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 49.33 1 1   
A  SER    2   2 52.06 1 2   
A  ALA    3   2 61.88 1 3   
A  SER    4   2 64.79 1 4   
A  LYS    5   2 70.35 1 5   
A  PHE    6   2 79.55 1 6   
A  ILE    7   2 84.14 1 7   
A  LYS    8   2 86.28 1 8   
A  CYS    9   2 88.79 1 9   
A  VAL    10  2 87.34 1 10  
A  THR    11  2 85.49 1 11  
A  VAL    12  2 86.44 1 12  
A  GLY    13  2 88.77 1 13  
A  ASP    14  2 86.68 1 14  
A  GLY    15  2 87.86 1 15  
A  ALA    16  2 87.19 1 16  
A  VAL    17  2 86.70 1 17  
A  GLY    18  2 89.51 1 18  
A  LYS    19  2 86.40 1 19  
A  THR    20  2 85.38 1 20  
A  CYS    21  2 89.60 1 21  
A  MET    22  2 87.57 1 22  
A  LEU    23  2 86.70 1 23  
A  ILE    24  2 85.76 1 24  
A  CYS    25  2 87.90 1 25  
A  TYR    26  2 86.87 1 26  
A  THR    27  2 83.04 1 27  
A  SER    28  2 83.62 1 28  
A  ASN    29  2 81.19 1 29  
A  LYS    30  2 76.59 1 30  
A  PHE    31  2 83.10 1 31  
A  PRO    32  2 83.80 1 32  
A  THR    33  2 78.75 1 33  
A  ASP    34  2 75.11 1 34  
A  TYR    35  2 70.28 1 35  
A  ILE    36  2 76.42 1 36  
A  PRO    37  2 78.16 1 37  
A  THR    38  2 73.37 1 38  
A  VAL    39  2 72.56 1 39  
A  PHE    40  2 71.82 1 40  
A  ASP    41  2 73.82 1 41  
A  ASN    42  2 75.01 1 42  
A  PHE    43  2 74.07 1 43  
A  SER    44  2 78.98 1 44  
A  ALA    45  2 83.70 1 45  
A  ASN    46  2 81.16 1 46  
A  VAL    47  2 83.12 1 47  
A  ALA    48  2 84.09 1 48  
A  VAL    49  2 79.07 1 49  
A  ASP    50  2 74.53 1 50  
A  GLY    51  2 81.17 1 51  
A  GLN    52  2 74.81 1 52  
A  ILE    53  2 78.37 1 53  
A  VAL    54  2 82.81 1 54  
A  ASN    55  2 82.45 1 55  
A  LEU    56  2 86.30 1 56  
A  GLY    57  2 90.43 1 57  
A  LEU    58  2 86.18 1 58  
A  TRP    59  2 81.02 1 59  
A  ASP    60  2 83.01 1 60  
A  THR    61  2 81.54 1 61  
A  ALA    62  2 81.43 1 62  
A  GLY    63  2 80.38 1 63  
A  GLN    64  2 74.33 1 64  
A  GLU    65  2 71.11 1 65  
A  ASP    66  2 74.71 1 66  
A  TYR    67  2 73.00 1 67  
A  SER    68  2 81.75 1 68  
A  ARG    69  2 71.86 1 69  
A  LEU    70  2 78.97 1 70  
A  ARG    71  2 78.74 1 71  
A  PRO    72  2 85.51 1 72  
A  LEU    73  2 82.26 1 73  
A  SER    74  2 84.05 1 74  
A  TYR    75  2 83.83 1 75  
A  ARG    76  2 73.70 1 76  
A  GLY    77  2 88.07 1 77  
A  ALA    78  2 88.38 1 78  
A  ASP    79  2 86.22 1 79  
A  ILE    80  2 87.39 1 80  
A  PHE    81  2 88.13 1 81  
A  VAL    82  2 89.31 1 82  
A  LEU    83  2 89.10 1 83  
A  ALA    84  2 92.02 1 84  
A  PHE    85  2 89.76 1 85  
A  SER    86  2 90.54 1 86  
A  LEU    87  2 89.99 1 87  
A  ILE    88  2 84.42 1 88  
A  SER    89  2 89.08 1 89  
A  LYS    90  2 81.51 1 90  
A  ALA    91  2 90.73 1 91  
A  SER    92  2 88.98 1 92  
A  TYR    93  2 89.63 1 93  
A  GLU    94  2 86.20 1 94  
A  ASN    95  2 86.68 1 95  
A  VAL    96  2 88.59 1 96  
A  LEU    97  2 86.15 1 97  
A  LYS    98  2 81.80 1 98  
A  LYS    99  2 83.08 1 99  
A  TRP    100 2 87.72 1 100 
A  MET    101 2 87.66 1 101 
A  PRO    102 2 89.27 1 102 
A  GLU    103 2 84.79 1 103 
A  LEU    104 2 86.28 1 104 
A  ARG    105 2 75.95 1 105 
A  ARG    106 2 76.70 1 106 
A  PHE    107 2 81.59 1 107 
A  ALA    108 2 87.27 1 108 
A  PRO    109 2 84.92 1 109 
A  ASN    110 2 80.22 1 110 
A  VAL    111 2 86.50 1 111 
A  PRO    112 2 89.24 1 112 
A  ILE    113 2 87.69 1 113 
A  VAL    114 2 89.32 1 114 
A  LEU    115 2 90.25 1 115 
A  VAL    116 2 89.29 1 116 
A  GLY    117 2 92.79 1 117 
A  THR    118 2 88.53 1 118 
A  LYS    119 2 88.21 1 119 
A  LEU    120 2 88.85 1 120 
A  ASP    121 2 85.76 1 121 
A  LEU    122 2 85.73 1 122 
A  ARG    123 2 83.83 1 123 
A  ASP    124 2 79.35 1 124 
A  ASP    125 2 78.34 1 125 
A  LYS    126 2 69.28 1 126 
A  GLY    127 2 78.57 1 127 
A  TYR    128 2 72.56 1 128 
A  LEU    129 2 74.03 1 129 
A  ALA    130 2 76.56 1 130 
A  ASP    131 2 72.68 1 131 
A  HIS    132 2 70.79 1 132 
A  THR    133 2 73.65 1 133 
A  ASN    134 2 75.35 1 134 
A  VAL    135 2 83.62 1 135 
A  ILE    136 2 86.85 1 136 
A  THR    137 2 86.27 1 137 
A  SER    138 2 89.12 1 138 
A  THR    139 2 87.96 1 139 
A  GLN    140 2 87.44 1 140 
A  GLY    141 2 91.96 1 141 
A  GLU    142 2 85.91 1 142 
A  GLU    143 2 83.00 1 143 
A  LEU    144 2 89.43 1 144 
A  ARG    145 2 86.23 1 145 
A  LYS    146 2 84.63 1 146 
A  GLN    147 2 84.52 1 147 
A  ILE    148 2 86.62 1 148 
A  GLY    149 2 89.36 1 149 
A  ALA    150 2 90.33 1 150 
A  ALA    151 2 90.26 1 151 
A  ALA    152 2 91.55 1 152 
A  TYR    153 2 90.02 1 153 
A  ILE    154 2 87.32 1 154 
A  GLU    155 2 90.24 1 155 
A  CYS    156 2 91.09 1 156 
A  SER    157 2 91.02 1 157 
A  SER    158 2 89.90 1 158 
A  LYS    159 2 85.22 1 159 
A  THR    160 2 86.31 1 160 
A  GLN    161 2 82.71 1 161 
A  GLN    162 2 84.24 1 162 
A  ASN    163 2 87.56 1 163 
A  VAL    164 2 88.51 1 164 
A  LYS    165 2 82.25 1 165 
A  ALA    166 2 91.65 1 166 
A  VAL    167 2 88.88 1 167 
A  PHE    168 2 86.45 1 168 
A  ASP    169 2 86.05 1 169 
A  THR    170 2 87.06 1 170 
A  ALA    171 2 90.58 1 171 
A  ILE    172 2 86.08 1 172 
A  LYS    173 2 81.34 1 173 
A  VAL    174 2 86.09 1 174 
A  VAL    175 2 84.38 1 175 
A  LEU    176 2 80.09 1 176 
A  GLN    177 2 64.47 1 177 
A  PRO    178 2 61.18 1 178 
A  PRO    179 2 52.98 1 179 
A  ARG    180 2 42.28 1 180 
A  ARG    181 2 41.84 1 181 
A  LYS    182 2 44.66 1 182 
A  GLU    183 2 46.91 1 183 
A  VAL    184 2 50.25 1 184 
A  PRO    185 2 51.18 1 185 
A  ARG    186 2 46.59 1 186 
A  ARG    187 2 45.08 1 187 
A  ARG    188 2 45.03 1 188 
A  LYS    189 2 46.83 1 189 
A  ASN    190 2 54.05 1 190 
A  HIS    191 2 51.05 1 191 
A  ARG    192 2 46.34 1 192 
A  ARG    193 2 47.40 1 193 
A  SER    194 2 60.61 1 194 
A  GLY    195 2 65.05 1 195 
A  CYS    196 2 65.98 1 196 
B  GDP    .   2 76.46 1 197 
C  GER    .   2 14.54 1 198 
D  LIG_D  .   2 2.94  1 199 
E  LIG_E  .   2 3.33  1 200 
F  LIG_F  .   2 2.14  1 201 
G  LIG_G  .   2 1.48  1 202 
H  LIG_H  .   2 1.47  1 203 
I  LIG_I  .   2 1.48  1 204 
J  LIG_J  .   2 1.44  1 205 
K  LIG_K  .   2 1.47  1 206 
L  LIG_L  .   2 1.48  1 207 
M  LIG_M  .   2 1.48  1 208 
N  LIG_N  .   2 1.52  1 209 
O  LIG_O  .   2 1.49  1 210 
P  LIG_P  .   2 1.47  1 211 
Q  LIG_Q  .   2 1.48  1 212 
R  LIG_R  .   2 1.47  1 213 
S  LIG_S  .   2 1.82  1 214 
T  LIG_T  .   2 1.43  1 215 
U  LIG_U  .   2 1.46  1 216 
V  LIG_V  .   2 1.74  1 217 
W  LIG_W  .   2 1.49  1 218 
X  LIG_X  .   2 1.93  1 219 
Y  LIG_Y  .   2 1.43  1 220 
Z  LIG_Z  .   2 1.44  1 221 
AA LIG_AA .   2 1.49  1 222 
BA LIG_BA .   2 1.47  1 223 
AB LIG_AB .   2 1.46  1 224 
BB LIG_BB .   2 1.40  1 225 
AC LIG_AC .   2 2.16  1 226 
BC LIG_BC .   2 1.56  1 227 
AD LIG_AD .   2 1.51  1 228 
BD LIG_BD .   2 1.24  1 229 
AE LIG_AE .   2 1.48  1 230 
BE LIG_BE .   2 1.44  1 231 
AF LIG_AF .   2 1.46  1 232 
BF LIG_BF .   2 1.64  1 233 
AG LIG_AG .   2 2.80  1 234 
BG LIG_BG .   2 1.43  1 235 
AH LIG_AH .   2 1.53  1 236 
BH LIG_BH .   2 1.26  1 237 
AI LIG_AI .   2 3.54  1 238 
BI LIG_BI .   2 1.28  1 239 
AJ LIG_AJ .   2 1.46  1 240 
BJ LIG_BJ .   2 1.31  1 241 
AK LIG_AK .   2 1.68  1 242 
AL LIG_AL .   2 2.03  1 243 
AM LIG_AM .   2 1.25  1 244 
AN LIG_AN .   2 1.47  1 245 
AO LIG_AO .   2 1.48  1 246 
AP LIG_AP .   2 2.12  1 247 
AQ LIG_AQ .   2 1.50  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 
AB . 29 
BB . 30 
AC . 31 
BC . 32 
AD . 33 
BD . 34 
AE . 35 
BE . 36 
AF . 37 
BF . 38 
AG . 39 
BG . 40 
AH . 41 
BH . 42 
AI . 43 
BI . 44 
AJ . 45 
BJ . 46 
AK . 47 
AL . 48 
AM . 49 
AN . 50 
AO . 51 
AP . 52 
AQ . 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 
AB 1 29 LIG_AB . 1 AB 
BB 1 30 LIG_BB . 1 BB 
AC 1 31 LIG_AC . 1 AC 
BC 1 32 LIG_BC . 1 BC 
AD 1 33 LIG_AD . 1 AD 
BD 1 34 LIG_BD . 1 BD 
AE 1 35 LIG_AE . 1 AE 
BE 1 36 LIG_BE . 1 BE 
AF 1 37 LIG_AF . 1 AF 
BF 1 38 LIG_BF . 1 BF 
AG 1 39 LIG_AG . 1 AG 
BG 1 40 LIG_BG . 1 BG 
AH 1 41 LIG_AH . 1 AH 
BH 1 42 LIG_BH . 1 BH 
AI 1 43 LIG_AI . 1 AI 
BI 1 44 LIG_BI . 1 BI 
AJ 1 45 LIG_AJ . 1 AJ 
BJ 1 46 LIG_BJ . 1 BJ 
AK 1 47 LIG_AK . 1 AK 
AL 1 48 LIG_AL . 1 AL 
AM 1 49 LIG_AM . 1 AM 
AN 1 50 LIG_AN . 1 AN 
AO 1 51 LIG_AO . 1 AO 
AP 1 52 LIG_AP . 1 AP 
AQ 1 53 LIG_AQ . 1 AQ 
#
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 AB 
30 BB 
31 AC 
32 BC 
33 AD 
34 BD 
35 AE 
36 BE 
37 AF 
38 BF 
39 AG 
40 BG 
41 AH 
42 BH 
43 AI 
44 BI 
45 AJ 
46 BJ 
47 AK 
48 AL 
49 AM 
50 AN 
51 AO 
52 AP 
53 AQ 
#
_struct_conn.conn_type_id            covale
_struct_conn.id                      covale1
_struct_conn.pdbx_ptnr1_PDB_ins_code ?
_struct_conn.pdbx_ptnr1_label_alt_id ?
_struct_conn.pdbx_ptnr2_PDB_ins_code ?
_struct_conn.pdbx_ptnr2_label_alt_id ?
_struct_conn.pdbx_role               ?
_struct_conn.pdbx_value_order        ?
_struct_conn.ptnr1_auth_asym_id      A
_struct_conn.ptnr1_auth_seq_id       196
_struct_conn.ptnr1_label_asym_id     A
_struct_conn.ptnr1_label_atom_id     SG
_struct_conn.ptnr1_label_comp_id     CYS
_struct_conn.ptnr1_label_seq_id      196
_struct_conn.ptnr1_symmetry          1_555
_struct_conn.ptnr2_auth_asym_id      C
_struct_conn.ptnr2_auth_seq_id       1
_struct_conn.ptnr2_label_asym_id     C
_struct_conn.ptnr2_label_atom_id     C1
_struct_conn.ptnr2_label_comp_id     GER
_struct_conn.ptnr2_label_seq_id      .
_struct_conn.ptnr2_symmetry          1_555
#
_struct_conn_type.criteria  ?
_struct_conn_type.id        covale
_struct_conn_type.reference ?
#
loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_asym_id
_atom_site.label_entity_id
_atom_site.label_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.B_iso_or_equiv
_atom_site.auth_seq_id
_atom_site.auth_asym_id
_atom_site.pdbx_PDB_model_num
ATOM   1    N N     . MET    A  1  1   ? 7.304   -24.019 35.080  1.00 51.47 1   A  1 
ATOM   2    C CA    . MET    A  1  1   ? 8.519   -23.345 34.606  1.00 53.30 1   A  1 
ATOM   3    C C     . MET    A  1  1   ? 8.499   -23.131 33.094  1.00 52.90 1   A  1 
ATOM   4    O O     . MET    A  1  1   ? 9.536   -23.220 32.432  1.00 48.39 1   A  1 
ATOM   5    C CB    . MET    A  1  1   ? 9.760   -24.156 35.000  1.00 50.17 1   A  1 
ATOM   6    C CG    . MET    A  1  1   ? 9.947   -24.287 36.501  1.00 48.50 1   A  1 
ATOM   7    S SD    . MET    A  1  1   ? 11.430  -25.184 36.946  1.00 46.89 1   A  1 
ATOM   8    C CE    . MET    A  1  1   ? 12.689  -23.961 36.570  1.00 43.04 1   A  1 
ATOM   9    N N     . SER    A  1  2   ? 7.311   -22.865 32.573  1.00 53.88 2   A  1 
ATOM   10   C CA    . SER    A  1  2   ? 7.158   -22.640 31.136  1.00 54.75 2   A  1 
ATOM   11   C C     . SER    A  1  2   ? 6.827   -21.178 30.833  1.00 56.14 2   A  1 
ATOM   12   O O     . SER    A  1  2   ? 6.412   -20.851 29.726  1.00 51.85 2   A  1 
ATOM   13   C CB    . SER    A  1  2   ? 6.056   -23.536 30.576  1.00 50.06 2   A  1 
ATOM   14   O OG    . SER    A  1  2   ? 6.361   -24.898 30.781  1.00 45.69 2   A  1 
ATOM   15   N N     . ALA    A  1  3   ? 7.004   -20.327 31.827  1.00 61.44 3   A  1 
ATOM   16   C CA    . ALA    A  1  3   ? 6.670   -18.915 31.666  1.00 63.22 3   A  1 
ATOM   17   C C     . ALA    A  1  3   ? 7.447   -18.235 30.541  1.00 65.35 3   A  1 
ATOM   18   O O     . ALA    A  1  3   ? 6.960   -17.277 29.944  1.00 61.10 3   A  1 
ATOM   19   C CB    . ALA    A  1  3   ? 6.900   -18.173 32.980  1.00 58.27 3   A  1 
ATOM   20   N N     . SER    A  1  4   ? 8.638   -18.721 30.272  1.00 66.73 4   A  1 
ATOM   21   C CA    . SER    A  1  4   ? 9.456   -18.113 29.230  1.00 68.45 4   A  1 
ATOM   22   C C     . SER    A  1  4   ? 9.113   -18.615 27.832  1.00 72.88 4   A  1 
ATOM   23   O O     . SER    A  1  4   ? 9.564   -18.040 26.841  1.00 67.69 4   A  1 
ATOM   24   C CB    . SER    A  1  4   ? 10.937  -18.365 29.513  1.00 60.43 4   A  1 
ATOM   25   O OG    . SER    A  1  4   ? 11.225  -19.743 29.481  1.00 52.56 4   A  1 
ATOM   26   N N     . LYS    A  1  5   ? 8.321   -19.661 27.746  1.00 77.88 5   A  1 
ATOM   27   C CA    . LYS    A  1  5   ? 7.983   -20.213 26.442  1.00 81.33 5   A  1 
ATOM   28   C C     . LYS    A  1  5   ? 6.957   -19.345 25.722  1.00 83.82 5   A  1 
ATOM   29   O O     . LYS    A  1  5   ? 5.918   -19.003 26.279  1.00 80.85 5   A  1 
ATOM   30   C CB    . LYS    A  1  5   ? 7.452   -21.635 26.580  1.00 76.34 5   A  1 
ATOM   31   C CG    . LYS    A  1  5   ? 7.173   -22.297 25.237  1.00 67.20 5   A  1 
ATOM   32   C CD    . LYS    A  1  5   ? 6.790   -23.752 25.385  1.00 62.95 5   A  1 
ATOM   33   C CE    . LYS    A  1  5   ? 6.609   -24.398 24.024  1.00 54.31 5   A  1 
ATOM   34   N NZ    . LYS    A  1  5   ? 6.314   -25.850 24.128  1.00 48.48 5   A  1 
ATOM   35   N N     . PHE    A  1  6   ? 7.259   -19.030 24.490  1.00 86.03 6   A  1 
ATOM   36   C CA    . PHE    A  1  6   ? 6.363   -18.216 23.687  1.00 86.84 6   A  1 
ATOM   37   C C     . PHE    A  1  6   ? 5.684   -19.086 22.639  1.00 87.50 6   A  1 
ATOM   38   O O     . PHE    A  1  6   ? 6.332   -19.900 21.986  1.00 84.81 6   A  1 
ATOM   39   C CB    . PHE    A  1  6   ? 7.139   -17.095 22.997  1.00 84.21 6   A  1 
ATOM   40   C CG    . PHE    A  1  6   ? 6.290   -16.229 22.101  1.00 82.34 6   A  1 
ATOM   41   C CD1   . PHE    A  1  6   ? 5.438   -15.280 22.642  1.00 75.42 6   A  1 
ATOM   42   C CD2   . PHE    A  1  6   ? 6.336   -16.374 20.720  1.00 74.30 6   A  1 
ATOM   43   C CE1   . PHE    A  1  6   ? 4.641   -14.486 21.822  1.00 71.51 6   A  1 
ATOM   44   C CE2   . PHE    A  1  6   ? 5.543   -15.586 19.891  1.00 70.36 6   A  1 
ATOM   45   C CZ    . PHE    A  1  6   ? 4.694   -14.636 20.447  1.00 71.76 6   A  1 
ATOM   46   N N     . ILE    A  1  7   ? 4.389   -18.901 22.495  1.00 87.14 7   A  1 
ATOM   47   C CA    . ILE    A  1  7   ? 3.623   -19.646 21.502  1.00 88.36 7   A  1 
ATOM   48   C C     . ILE    A  1  7   ? 2.955   -18.640 20.580  1.00 88.50 7   A  1 
ATOM   49   O O     . ILE    A  1  7   ? 2.209   -17.777 21.042  1.00 85.93 7   A  1 
ATOM   50   C CB    . ILE    A  1  7   ? 2.541   -20.528 22.162  1.00 87.03 7   A  1 
ATOM   51   C CG1   . ILE    A  1  7   ? 3.206   -21.638 22.983  1.00 80.77 7   A  1 
ATOM   52   C CG2   . ILE    A  1  7   ? 1.616   -21.118 21.100  1.00 79.45 7   A  1 
ATOM   53   C CD1   . ILE    A  1  7   ? 2.232   -22.509 23.754  1.00 75.92 7   A  1 
ATOM   54   N N     . LYS    A  1  8   ? 3.222   -18.773 19.298  1.00 89.27 8   A  1 
ATOM   55   C CA    . LYS    A  1  8   ? 2.614   -17.875 18.330  1.00 89.71 8   A  1 
ATOM   56   C C     . LYS    A  1  8   ? 1.400   -18.558 17.714  1.00 89.80 8   A  1 
ATOM   57   O O     . LYS    A  1  8   ? 1.531   -19.555 17.003  1.00 87.95 8   A  1 
ATOM   58   C CB    . LYS    A  1  8   ? 3.610   -17.483 17.244  1.00 88.18 8   A  1 
ATOM   59   C CG    . LYS    A  1  8   ? 3.002   -16.596 16.167  1.00 86.65 8   A  1 
ATOM   60   C CD    . LYS    A  1  8   ? 4.044   -16.058 15.196  1.00 84.69 8   A  1 
ATOM   61   C CE    . LYS    A  1  8   ? 3.380   -15.243 14.101  1.00 82.58 8   A  1 
ATOM   62   N NZ    . LYS    A  1  8   ? 4.367   -14.595 13.194  1.00 77.67 8   A  1 
ATOM   63   N N     . CYS    A  1  9   ? 0.236   -17.999 17.987  1.00 89.86 9   A  1 
ATOM   64   C CA    . CYS    A  1  9   ? -1.020  -18.536 17.487  1.00 90.33 9   A  1 
ATOM   65   C C     . CYS    A  1  9   ? -1.561  -17.568 16.439  1.00 90.20 9   A  1 
ATOM   66   O O     . CYS    A  1  9   ? -1.808  -16.401 16.742  1.00 87.85 9   A  1 
ATOM   67   C CB    . CYS    A  1  9   ? -2.013  -18.683 18.640  1.00 89.54 9   A  1 
ATOM   68   S SG    . CYS    A  1  9   ? -3.657  -19.222 18.141  1.00 84.97 9   A  1 
ATOM   69   N N     . VAL    A  1  10  ? -1.728  -18.063 15.224  1.00 90.54 10  A  1 
ATOM   70   C CA    . VAL    A  1  10  ? -2.210  -17.217 14.134  1.00 90.57 10  A  1 
ATOM   71   C C     . VAL    A  1  10  ? -3.608  -17.646 13.715  1.00 90.84 10  A  1 
ATOM   72   O O     . VAL    A  1  10  ? -3.841  -18.811 13.406  1.00 88.81 10  A  1 
ATOM   73   C CB    . VAL    A  1  10  ? -1.266  -17.297 12.921  1.00 89.25 10  A  1 
ATOM   74   C CG1   . VAL    A  1  10  ? -1.782  -16.432 11.776  1.00 80.25 10  A  1 
ATOM   75   C CG2   . VAL    A  1  10  ? 0.140   -16.863 13.319  1.00 81.12 10  A  1 
ATOM   76   N N     . THR    A  1  11  ? -4.519  -16.688 13.700  1.00 90.07 11  A  1 
ATOM   77   C CA    . THR    A  1  11  ? -5.905  -16.967 13.337  1.00 90.23 11  A  1 
ATOM   78   C C     . THR    A  1  11  ? -6.155  -16.620 11.874  1.00 89.51 11  A  1 
ATOM   79   O O     . THR    A  1  11  ? -5.853  -15.509 11.435  1.00 86.57 11  A  1 
ATOM   80   C CB    . THR    A  1  11  ? -6.862  -16.164 14.229  1.00 89.43 11  A  1 
ATOM   81   O OG1   . THR    A  1  11  ? -6.614  -16.502 15.603  1.00 76.14 11  A  1 
ATOM   82   C CG2   . THR    A  1  11  ? -8.311  -16.471 13.899  1.00 76.46 11  A  1 
ATOM   83   N N     . VAL    A  1  12  ? -6.713  -17.568 11.146  1.00 90.21 12  A  1 
ATOM   84   C CA    . VAL    A  1  12  ? -6.997  -17.359 9.725   1.00 90.62 12  A  1 
ATOM   85   C C     . VAL    A  1  12  ? -8.409  -17.834 9.404   1.00 90.57 12  A  1 
ATOM   86   O O     . VAL    A  1  12  ? -9.026  -18.555 10.186  1.00 87.44 12  A  1 
ATOM   87   C CB    . VAL    A  1  12  ? -5.995  -18.117 8.824   1.00 89.32 12  A  1 
ATOM   88   C CG1   . VAL    A  1  12  ? -4.569  -17.678 9.129   1.00 77.95 12  A  1 
ATOM   89   C CG2   . VAL    A  1  12  ? -6.133  -19.620 9.007   1.00 78.96 12  A  1 
ATOM   90   N N     . GLY    A  1  13  ? -8.908  -17.404 8.254   1.00 90.04 13  A  1 
ATOM   91   C CA    . GLY    A  1  13  ? -10.244 -17.787 7.839   1.00 90.09 13  A  1 
ATOM   92   C C     . GLY    A  1  13  ? -10.873 -16.661 7.036   1.00 89.90 13  A  1 
ATOM   93   O O     . GLY    A  1  13  ? -10.368 -15.542 7.036   1.00 85.04 13  A  1 
ATOM   94   N N     . ASP    A  1  14  ? -11.974 -16.960 6.371   1.00 89.64 14  A  1 
ATOM   95   C CA    . ASP    A  1  14  ? -12.657 -15.960 5.553   1.00 89.63 14  A  1 
ATOM   96   C C     . ASP    A  1  14  ? -13.025 -14.705 6.340   1.00 89.41 14  A  1 
ATOM   97   O O     . ASP    A  1  14  ? -13.135 -14.724 7.568   1.00 86.09 14  A  1 
ATOM   98   C CB    . ASP    A  1  14  ? -13.946 -16.537 4.962   1.00 88.46 14  A  1 
ATOM   99   C CG    . ASP    A  1  14  ? -13.713 -17.410 3.742   1.00 87.12 14  A  1 
ATOM   100  O OD1   . ASP    A  1  14  ? -12.548 -17.660 3.373   1.00 81.11 14  A  1 
ATOM   101  O OD2   . ASP    A  1  14  ? -14.722 -17.836 3.139   1.00 81.97 14  A  1 
ATOM   102  N N     . GLY    A  1  15  ? -13.231 -13.628 5.600   1.00 88.77 15  A  1 
ATOM   103  C CA    . GLY    A  1  15  ? -13.644 -12.399 6.239   1.00 88.41 15  A  1 
ATOM   104  C C     . GLY    A  1  15  ? -15.042 -12.544 6.820   1.00 88.85 15  A  1 
ATOM   105  O O     . GLY    A  1  15  ? -15.863 -13.294 6.299   1.00 85.42 15  A  1 
ATOM   106  N N     . ALA    A  1  16  ? -15.292 -11.821 7.898   1.00 87.83 16  A  1 
ATOM   107  C CA    . ALA    A  1  16  ? -16.592 -11.794 8.561   1.00 88.48 16  A  1 
ATOM   108  C C     . ALA    A  1  16  ? -17.010 -13.083 9.264   1.00 89.02 16  A  1 
ATOM   109  O O     . ALA    A  1  16  ? -18.150 -13.186 9.716   1.00 84.56 16  A  1 
ATOM   110  C CB    . ALA    A  1  16  ? -17.691 -11.363 7.591   1.00 86.04 16  A  1 
ATOM   111  N N     . VAL    A  1  17  ? -16.117 -14.038 9.390   1.00 89.90 17  A  1 
ATOM   112  C CA    . VAL    A  1  17  ? -16.488 -15.264 10.101  1.00 90.47 17  A  1 
ATOM   113  C C     . VAL    A  1  17  ? -16.423 -15.082 11.616  1.00 90.38 17  A  1 
ATOM   114  O O     . VAL    A  1  17  ? -16.925 -15.924 12.358  1.00 86.86 17  A  1 
ATOM   115  C CB    . VAL    A  1  17  ? -15.616 -16.480 9.703   1.00 89.66 17  A  1 
ATOM   116  C CG1   . VAL    A  1  17  ? -15.720 -16.742 8.206   1.00 79.19 17  A  1 
ATOM   117  C CG2   . VAL    A  1  17  ? -14.169 -16.286 10.126  1.00 80.44 17  A  1 
ATOM   118  N N     . GLY    A  1  18  ? -15.820 -13.999 12.059  1.00 89.81 18  A  1 
ATOM   119  C CA    . GLY    A  1  18  ? -15.762 -13.731 13.491  1.00 90.38 18  A  1 
ATOM   120  C C     . GLY    A  1  18  ? -14.409 -13.887 14.151  1.00 90.89 18  A  1 
ATOM   121  O O     . GLY    A  1  18  ? -14.338 -14.027 15.374  1.00 86.97 18  A  1 
ATOM   122  N N     . LYS    A  1  19  ? -13.347 -13.865 13.379  1.00 89.71 19  A  1 
ATOM   123  C CA    . LYS    A  1  19  ? -12.003 -14.033 13.942  1.00 89.82 19  A  1 
ATOM   124  C C     . LYS    A  1  19  ? -11.660 -12.938 14.949  1.00 89.92 19  A  1 
ATOM   125  O O     . LYS    A  1  19  ? -11.199 -13.221 16.057  1.00 87.95 19  A  1 
ATOM   126  C CB    . LYS    A  1  19  ? -10.950 -14.036 12.828  1.00 88.32 19  A  1 
ATOM   127  C CG    . LYS    A  1  19  ? -11.133 -15.126 11.786  1.00 86.34 19  A  1 
ATOM   128  C CD    . LYS    A  1  19  ? -10.008 -15.137 10.753  1.00 84.40 19  A  1 
ATOM   129  C CE    . LYS    A  1  19  ? -9.911  -13.844 9.951   1.00 81.57 19  A  1 
ATOM   130  N NZ    . LYS    A  1  19  ? -11.138 -13.573 9.150   1.00 79.60 19  A  1 
ATOM   131  N N     . THR    A  1  20  ? -11.875 -11.706 14.556  1.00 89.22 20  A  1 
ATOM   132  C CA    . THR    A  1  20  ? -11.541 -10.585 15.426  1.00 89.03 20  A  1 
ATOM   133  C C     . THR    A  1  20  ? -12.385 -10.596 16.699  1.00 89.43 20  A  1 
ATOM   134  O O     . THR    A  1  20  ? -11.864 -10.392 17.797  1.00 87.64 20  A  1 
ATOM   135  C CB    . THR    A  1  20  ? -11.706 -9.255  14.680  1.00 87.47 20  A  1 
ATOM   136  O OG1   . THR    A  1  20  ? -10.806 -9.233  13.568  1.00 77.93 20  A  1 
ATOM   137  C CG2   . THR    A  1  20  ? -11.409 -8.069  15.587  1.00 76.97 20  A  1 
ATOM   138  N N     . CYS    A  1  21  ? -13.671 -10.847 16.552  1.00 90.69 21  A  1 
ATOM   139  C CA    . CYS    A  1  21  ? -14.533 -10.898 17.730  1.00 90.75 21  A  1 
ATOM   140  C C     . CYS    A  1  21  ? -14.118 -12.030 18.670  1.00 91.05 21  A  1 
ATOM   141  O O     . CYS    A  1  21  ? -14.171 -11.876 19.886  1.00 89.53 21  A  1 
ATOM   142  C CB    . CYS    A  1  21  ? -15.994 -11.069 17.324  1.00 89.64 21  A  1 
ATOM   143  S SG    . CYS    A  1  21  ? -16.736 -9.551  16.677  1.00 85.96 21  A  1 
ATOM   144  N N     . MET    A  1  22  ? -13.714 -13.138 18.099  1.00 89.85 22  A  1 
ATOM   145  C CA    . MET    A  1  22  ? -13.288 -14.264 18.927  1.00 90.47 22  A  1 
ATOM   146  C C     . MET    A  1  22  ? -12.047 -13.887 19.741  1.00 90.42 22  A  1 
ATOM   147  O O     . MET    A  1  22  ? -11.964 -14.190 20.935  1.00 88.57 22  A  1 
ATOM   148  C CB    . MET    A  1  22  ? -12.995 -15.484 18.051  1.00 89.85 22  A  1 
ATOM   149  C CG    . MET    A  1  22  ? -12.546 -16.712 18.826  1.00 86.88 22  A  1 
ATOM   150  S SD    . MET    A  1  22  ? -12.366 -18.181 17.792  1.00 86.33 22  A  1 
ATOM   151  C CE    . MET    A  1  22  ? -11.040 -17.683 16.700  1.00 78.19 22  A  1 
ATOM   152  N N     . LEU    A  1  23  ? -11.110 -13.231 19.109  1.00 89.73 23  A  1 
ATOM   153  C CA    . LEU    A  1  23  ? -9.890  -12.827 19.800  1.00 89.51 23  A  1 
ATOM   154  C C     . LEU    A  1  23  ? -10.171 -11.776 20.872  1.00 89.32 23  A  1 
ATOM   155  O O     . LEU    A  1  23  ? -9.622  -11.841 21.974  1.00 87.18 23  A  1 
ATOM   156  C CB    . LEU    A  1  23  ? -8.870  -12.301 18.791  1.00 88.63 23  A  1 
ATOM   157  C CG    . LEU    A  1  23  ? -8.281  -13.378 17.875  1.00 87.05 23  A  1 
ATOM   158  C CD1   . LEU    A  1  23  ? -7.602  -12.754 16.670  1.00 80.90 23  A  1 
ATOM   159  C CD2   . LEU    A  1  23  ? -7.291  -14.235 18.653  1.00 81.27 23  A  1 
ATOM   160  N N     . ILE    A  1  24  ? -11.022 -10.829 20.555  1.00 89.37 24  A  1 
ATOM   161  C CA    . ILE    A  1  24  ? -11.372 -9.793  21.523  1.00 88.90 24  A  1 
ATOM   162  C C     . ILE    A  1  24  ? -12.095 -10.423 22.709  1.00 88.84 24  A  1 
ATOM   163  O O     . ILE    A  1  24  ? -11.816 -10.100 23.866  1.00 87.39 24  A  1 
ATOM   164  C CB    . ILE    A  1  24  ? -12.248 -8.705  20.874  1.00 87.79 24  A  1 
ATOM   165  C CG1   . ILE    A  1  24  ? -11.408 -7.893  19.883  1.00 83.88 24  A  1 
ATOM   166  C CG2   . ILE    A  1  24  ? -12.855 -7.792  21.939  1.00 83.00 24  A  1 
ATOM   167  C CD1   . ILE    A  1  24  ? -12.205 -6.937  19.023  1.00 76.89 24  A  1 
ATOM   168  N N     . CYS    A  1  25  ? -13.006 -11.317 22.416  1.00 90.64 25  A  1 
ATOM   169  C CA    . CYS    A  1  25  ? -13.753 -11.986 23.477  1.00 90.30 25  A  1 
ATOM   170  C C     . CYS    A  1  25  ? -12.803 -12.764 24.388  1.00 90.13 25  A  1 
ATOM   171  O O     . CYS    A  1  25  ? -12.938 -12.733 25.611  1.00 87.77 25  A  1 
ATOM   172  C CB    . CYS    A  1  25  ? -14.791 -12.929 22.873  1.00 89.30 25  A  1 
ATOM   173  S SG    . CYS    A  1  25  ? -15.688 -13.895 24.105  1.00 79.25 25  A  1 
ATOM   174  N N     . TYR    A  1  26  ? -11.858 -13.443 23.791  1.00 89.68 26  A  1 
ATOM   175  C CA    . TYR    A  1  26  ? -10.913 -14.222 24.584  1.00 89.54 26  A  1 
ATOM   176  C C     . TYR    A  1  26  ? -10.075 -13.342 25.507  1.00 88.99 26  A  1 
ATOM   177  O O     . TYR    A  1  26  ? -9.875  -13.673 26.676  1.00 86.39 26  A  1 
ATOM   178  C CB    . TYR    A  1  26  ? -9.986  -15.021 23.668  1.00 89.30 26  A  1 
ATOM   179  C CG    . TYR    A  1  26  ? -8.939  -15.814 24.420  1.00 89.53 26  A  1 
ATOM   180  C CD1   . TYR    A  1  26  ? -9.310  -16.850 25.272  1.00 84.19 26  A  1 
ATOM   181  C CD2   . TYR    A  1  26  ? -7.588  -15.527 24.283  1.00 84.63 26  A  1 
ATOM   182  C CE1   . TYR    A  1  26  ? -8.358  -17.576 25.970  1.00 83.61 26  A  1 
ATOM   183  C CE2   . TYR    A  1  26  ? -6.627  -16.251 24.975  1.00 83.87 26  A  1 
ATOM   184  C CZ    . TYR    A  1  26  ? -7.016  -17.273 25.816  1.00 86.98 26  A  1 
ATOM   185  O OH    . TYR    A  1  26  ? -6.071  -17.996 26.508  1.00 85.77 26  A  1 
ATOM   186  N N     . THR    A  1  27  ? -9.606  -12.242 24.992  1.00 88.12 27  A  1 
ATOM   187  C CA    . THR    A  1  27  ? -8.736  -11.373 25.785  1.00 86.96 27  A  1 
ATOM   188  C C     . THR    A  1  27  ? -9.468  -10.427 26.729  1.00 86.36 27  A  1 
ATOM   189  O O     . THR    A  1  27  ? -8.887  -9.984  27.719  1.00 83.15 27  A  1 
ATOM   190  C CB    . THR    A  1  27  ? -7.821  -10.539 24.878  1.00 85.61 27  A  1 
ATOM   191  O OG1   . THR    A  1  27  ? -8.610  -9.710  24.021  1.00 76.16 27  A  1 
ATOM   192  C CG2   . THR    A  1  27  ? -6.929  -11.437 24.035  1.00 74.92 27  A  1 
ATOM   193  N N     . SER    A  1  28  ? -10.709 -10.112 26.435  1.00 87.73 28  A  1 
ATOM   194  C CA    . SER    A  1  28  ? -11.444 -9.152  27.264  1.00 86.57 28  A  1 
ATOM   195  C C     . SER    A  1  28  ? -12.733 -9.678  27.892  1.00 86.49 28  A  1 
ATOM   196  O O     . SER    A  1  28  ? -13.321 -9.003  28.739  1.00 82.33 28  A  1 
ATOM   197  C CB    . SER    A  1  28  ? -11.783 -7.914  26.439  1.00 83.93 28  A  1 
ATOM   198  O OG    . SER    A  1  28  ? -12.803 -8.200  25.504  1.00 74.66 28  A  1 
ATOM   199  N N     . ASN    A  1  29  ? -13.176 -10.838 27.469  1.00 86.61 29  A  1 
ATOM   200  C CA    . ASN    A  1  29  ? -14.437 -11.414 27.944  1.00 87.27 29  A  1 
ATOM   201  C C     . ASN    A  1  29  ? -15.623 -10.508 27.614  1.00 87.79 29  A  1 
ATOM   202  O O     . ASN    A  1  29  ? -16.615 -10.477 28.337  1.00 82.68 29  A  1 
ATOM   203  C CB    . ASN    A  1  29  ? -14.391 -11.684 29.454  1.00 84.87 29  A  1 
ATOM   204  C CG    . ASN    A  1  29  ? -13.494 -12.853 29.802  1.00 80.67 29  A  1 
ATOM   205  O OD1   . ASN    A  1  29  ? -13.494 -13.878 29.127  1.00 70.15 29  A  1 
ATOM   206  N ND2   . ASN    A  1  29  ? -12.721 -12.702 30.868  1.00 69.46 29  A  1 
ATOM   207  N N     . LYS    A  1  30  ? -15.504 -9.787  26.525  1.00 87.59 30  A  1 
ATOM   208  C CA    . LYS    A  1  30  ? -16.576 -8.898  26.095  1.00 87.59 30  A  1 
ATOM   209  C C     . LYS    A  1  30  ? -16.764 -9.026  24.589  1.00 88.20 30  A  1 
ATOM   210  O O     . LYS    A  1  30  ? -15.792 -9.127  23.844  1.00 84.44 30  A  1 
ATOM   211  C CB    . LYS    A  1  30  ? -16.247 -7.446  26.453  1.00 84.20 30  A  1 
ATOM   212  C CG    . LYS    A  1  30  ? -16.138 -7.191  27.952  1.00 75.26 30  A  1 
ATOM   213  C CD    . LYS    A  1  30  ? -15.666 -5.780  28.265  1.00 69.70 30  A  1 
ATOM   214  C CE    . LYS    A  1  30  ? -16.741 -4.753  28.003  1.00 59.92 30  A  1 
ATOM   215  N NZ    . LYS    A  1  30  ? -16.316 -3.389  28.434  1.00 52.37 30  A  1 
ATOM   216  N N     . PHE    A  1  31  ? -18.021 -9.023  24.176  1.00 87.40 31  A  1 
ATOM   217  C CA    . PHE    A  1  31  ? -18.325 -9.109  22.755  1.00 88.01 31  A  1 
ATOM   218  C C     . PHE    A  1  31  ? -18.540 -7.691  22.229  1.00 87.77 31  A  1 
ATOM   219  O O     . PHE    A  1  31  ? -19.439 -6.993  22.695  1.00 83.35 31  A  1 
ATOM   220  C CB    . PHE    A  1  31  ? -19.589 -9.940  22.539  1.00 85.77 31  A  1 
ATOM   221  C CG    . PHE    A  1  31  ? -19.974 -10.091 21.089  1.00 85.60 31  A  1 
ATOM   222  C CD1   . PHE    A  1  31  ? -19.226 -10.891 20.241  1.00 80.09 31  A  1 
ATOM   223  C CD2   . PHE    A  1  31  ? -21.084 -9.433  20.579  1.00 79.95 31  A  1 
ATOM   224  C CE1   . PHE    A  1  31  ? -19.577 -11.034 18.906  1.00 77.77 31  A  1 
ATOM   225  C CE2   . PHE    A  1  31  ? -21.439 -9.575  19.243  1.00 77.57 31  A  1 
ATOM   226  C CZ    . PHE    A  1  31  ? -20.684 -10.380 18.406  1.00 80.83 31  A  1 
ATOM   227  N N     . PRO    A  1  32  ? -17.740 -7.275  21.283  1.00 86.27 32  A  1 
ATOM   228  C CA    . PRO    A  1  32  ? -17.884 -5.911  20.768  1.00 85.68 32  A  1 
ATOM   229  C C     . PRO    A  1  32  ? -19.180 -5.743  19.980  1.00 85.65 32  A  1 
ATOM   230  O O     . PRO    A  1  32  ? -19.565 -6.616  19.201  1.00 81.23 32  A  1 
ATOM   231  C CB    . PRO    A  1  32  ? -16.651 -5.742  19.881  1.00 82.58 32  A  1 
ATOM   232  C CG    . PRO    A  1  32  ? -16.330 -7.128  19.437  1.00 80.78 32  A  1 
ATOM   233  C CD    . PRO    A  1  32  ? -16.635 -7.989  20.635  1.00 84.39 32  A  1 
ATOM   234  N N     . THR    A  1  33  ? -19.841 -4.616  20.194  1.00 84.95 33  A  1 
ATOM   235  C CA    . THR    A  1  33  ? -21.104 -4.363  19.508  1.00 83.80 33  A  1 
ATOM   236  C C     . THR    A  1  33  ? -21.063 -3.079  18.686  1.00 83.16 33  A  1 
ATOM   237  O O     . THR    A  1  33  ? -21.106 -3.125  17.461  1.00 77.04 33  A  1 
ATOM   238  C CB    . THR    A  1  33  ? -22.269 -4.287  20.510  1.00 79.96 33  A  1 
ATOM   239  O OG1   . THR    A  1  33  ? -21.964 -3.341  21.539  1.00 72.35 33  A  1 
ATOM   240  C CG2   . THR    A  1  33  ? -22.519 -5.648  21.143  1.00 69.96 33  A  1 
ATOM   241  N N     . ASP    A  1  34  ? -20.991 -1.949  19.371  1.00 82.61 34  A  1 
ATOM   242  C CA    . ASP    A  1  34  ? -20.997 -0.666  18.673  1.00 81.53 34  A  1 
ATOM   243  C C     . ASP    A  1  34  ? -19.791 -0.475  17.761  1.00 81.18 34  A  1 
ATOM   244  O O     . ASP    A  1  34  ? -19.926 0.029   16.645  1.00 76.50 34  A  1 
ATOM   245  C CB    . ASP    A  1  34  ? -21.055 0.486   19.679  1.00 78.44 34  A  1 
ATOM   246  C CG    . ASP    A  1  34  ? -22.356 0.515   20.461  1.00 71.71 34  A  1 
ATOM   247  O OD1   . ASP    A  1  34  ? -23.352 -0.069  19.993  1.00 64.56 34  A  1 
ATOM   248  O OD2   . ASP    A  1  34  ? -22.378 1.134   21.542  1.00 64.35 34  A  1 
ATOM   249  N N     . TYR    A  1  35  ? -18.644 -0.864  18.248  1.00 81.76 35  A  1 
ATOM   250  C CA    . TYR    A  1  35  ? -17.434 -0.694  17.456  1.00 80.87 35  A  1 
ATOM   251  C C     . TYR    A  1  35  ? -16.627 -1.983  17.412  1.00 81.47 35  A  1 
ATOM   252  O O     . TYR    A  1  35  ? -16.227 -2.507  18.450  1.00 77.69 35  A  1 
ATOM   253  C CB    . TYR    A  1  35  ? -16.576 0.427   18.034  1.00 77.09 35  A  1 
ATOM   254  C CG    . TYR    A  1  35  ? -15.214 0.537   17.385  1.00 72.23 35  A  1 
ATOM   255  C CD1   . TYR    A  1  35  ? -15.088 0.894   16.052  1.00 66.23 35  A  1 
ATOM   256  C CD2   . TYR    A  1  35  ? -14.057 0.258   18.101  1.00 65.97 35  A  1 
ATOM   257  C CE1   . TYR    A  1  35  ? -13.845 0.977   15.442  1.00 60.34 35  A  1 
ATOM   258  C CE2   . TYR    A  1  35  ? -12.806 0.335   17.502  1.00 60.68 35  A  1 
ATOM   259  C CZ    . TYR    A  1  35  ? -12.706 0.696   16.171  1.00 61.74 35  A  1 
ATOM   260  O OH    . TYR    A  1  35  ? -11.471 0.770   15.569  1.00 57.31 35  A  1 
ATOM   261  N N     . ILE    A  1  36  ? -16.405 -2.458  16.207  1.00 82.34 36  A  1 
ATOM   262  C CA    . ILE    A  1  36  ? -15.608 -3.662  16.015  1.00 81.80 36  A  1 
ATOM   263  C C     . ILE    A  1  36  ? -14.409 -3.262  15.171  1.00 81.19 36  A  1 
ATOM   264  O O     . ILE    A  1  36  ? -14.567 -2.872  14.014  1.00 76.63 36  A  1 
ATOM   265  C CB    . ILE    A  1  36  ? -16.396 -4.765  15.288  1.00 79.34 36  A  1 
ATOM   266  C CG1   . ILE    A  1  36  ? -17.643 -5.136  16.091  1.00 73.39 36  A  1 
ATOM   267  C CG2   . ILE    A  1  36  ? -15.506 -5.988  15.077  1.00 71.08 36  A  1 
ATOM   268  C CD1   . ILE    A  1  36  ? -18.565 -6.102  15.380  1.00 65.59 36  A  1 
ATOM   269  N N     . PRO    A  1  37  ? -13.219 -3.350  15.731  1.00 81.60 37  A  1 
ATOM   270  C CA    . PRO    A  1  37  ? -12.044 -2.966  14.954  1.00 79.87 37  A  1 
ATOM   271  C C     . PRO    A  1  37  ? -11.848 -3.893  13.754  1.00 80.15 37  A  1 
ATOM   272  O O     . PRO    A  1  37  ? -12.251 -5.054  13.781  1.00 76.31 37  A  1 
ATOM   273  C CB    . PRO    A  1  37  ? -10.897 -3.077  15.959  1.00 76.32 37  A  1 
ATOM   274  C CG    . PRO    A  1  37  ? -11.397 -4.026  16.989  1.00 74.69 37  A  1 
ATOM   275  C CD    . PRO    A  1  37  ? -12.869 -3.762  17.094  1.00 78.20 37  A  1 
ATOM   276  N N     . THR    A  1  38  ? -11.250 -3.359  12.719  1.00 80.32 38  A  1 
ATOM   277  C CA    . THR    A  1  38  ? -11.014 -4.125  11.501  1.00 78.04 38  A  1 
ATOM   278  C C     . THR    A  1  38  ? -10.064 -5.292  11.753  1.00 77.77 38  A  1 
ATOM   279  O O     . THR    A  1  38  ? -10.170 -6.338  11.118  1.00 73.32 38  A  1 
ATOM   280  C CB    . THR    A  1  38  ? -10.426 -3.219  10.410  1.00 73.95 38  A  1 
ATOM   281  O OG1   . THR    A  1  38  ? -11.324 -2.133  10.161  1.00 66.02 38  A  1 
ATOM   282  C CG2   . THR    A  1  38  ? -10.204 -3.992  9.122   1.00 64.14 38  A  1 
ATOM   283  N N     . VAL    A  1  39  ? -9.158  -5.093  12.667  1.00 77.32 39  A  1 
ATOM   284  C CA    . VAL    A  1  39  ? -8.198  -6.138  12.976  1.00 77.29 39  A  1 
ATOM   285  C C     . VAL    A  1  39  ? -7.854  -6.104  14.457  1.00 78.07 39  A  1 
ATOM   286  O O     . VAL    A  1  39  ? -7.860  -5.045  15.086  1.00 73.44 39  A  1 
ATOM   287  C CB    . VAL    A  1  39  ? -6.917  -5.966  12.130  1.00 72.47 39  A  1 
ATOM   288  C CG1   . VAL    A  1  39  ? -6.198  -4.677  12.506  1.00 64.25 39  A  1 
ATOM   289  C CG2   . VAL    A  1  39  ? -6.002  -7.160  12.305  1.00 65.08 39  A  1 
ATOM   290  N N     . PHE    A  1  40  ? -7.568  -7.263  14.990  1.00 78.59 40  A  1 
ATOM   291  C CA    . PHE    A  1  40  ? -7.182  -7.382  16.388  1.00 78.44 40  A  1 
ATOM   292  C C     . PHE    A  1  40  ? -5.670  -7.185  16.441  1.00 79.73 40  A  1 
ATOM   293  O O     . PHE    A  1  40  ? -4.934  -7.882  15.752  1.00 74.49 40  A  1 
ATOM   294  C CB    . PHE    A  1  40  ? -7.564  -8.777  16.885  1.00 74.63 40  A  1 
ATOM   295  C CG    . PHE    A  1  40  ? -7.133  -9.074  18.294  1.00 73.83 40  A  1 
ATOM   296  C CD1   . PHE    A  1  40  ? -7.892  -8.644  19.368  1.00 67.68 40  A  1 
ATOM   297  C CD2   . PHE    A  1  40  ? -5.985  -9.805  18.539  1.00 67.91 40  A  1 
ATOM   298  C CE1   . PHE    A  1  40  ? -7.506  -8.937  20.668  1.00 63.91 40  A  1 
ATOM   299  C CE2   . PHE    A  1  40  ? -5.591  -10.100 19.837  1.00 63.48 40  A  1 
ATOM   300  C CZ    . PHE    A  1  40  ? -6.354  -9.667  20.902  1.00 67.35 40  A  1 
ATOM   301  N N     . ASP    A  1  41  ? -5.242  -6.246  17.235  1.00 80.83 41  A  1 
ATOM   302  C CA    . ASP    A  1  41  ? -3.819  -5.964  17.323  1.00 79.95 41  A  1 
ATOM   303  C C     . ASP    A  1  41  ? -3.079  -7.160  17.919  1.00 80.80 41  A  1 
ATOM   304  O O     . ASP    A  1  41  ? -3.608  -7.853  18.783  1.00 75.88 41  A  1 
ATOM   305  C CB    . ASP    A  1  41  ? -3.593  -4.724  18.183  1.00 76.03 41  A  1 
ATOM   306  C CG    . ASP    A  1  41  ? -2.160  -4.239  18.147  1.00 70.91 41  A  1 
ATOM   307  O OD1   . ASP    A  1  41  ? -1.465  -4.475  17.138  1.00 63.08 41  A  1 
ATOM   308  O OD2   . ASP    A  1  41  ? -1.732  -3.602  19.128  1.00 63.06 41  A  1 
ATOM   309  N N     . ASN    A  1  42  ? -1.864  -7.379  17.450  1.00 82.54 42  A  1 
ATOM   310  C CA    . ASN    A  1  42  ? -1.093  -8.495  17.974  1.00 81.94 42  A  1 
ATOM   311  C C     . ASN    A  1  42  ? -0.998  -8.338  19.486  1.00 82.17 42  A  1 
ATOM   312  O O     . ASN    A  1  42  ? -0.738  -7.250  19.995  1.00 76.74 42  A  1 
ATOM   313  C CB    . ASN    A  1  42  ? 0.294   -8.545  17.346  1.00 77.74 42  A  1 
ATOM   314  C CG    . ASN    A  1  42  ? 0.253   -8.942  15.883  1.00 71.66 42  A  1 
ATOM   315  O OD1   . ASN    A  1  42  ? -0.763  -9.423  15.381  1.00 62.48 42  A  1 
ATOM   316  N ND2   . ASN    A  1  42  ? 1.368   -8.753  15.194  1.00 64.80 42  A  1 
ATOM   317  N N     . PHE    A  1  43  ? -1.221  -9.426  20.164  1.00 84.39 43  A  1 
ATOM   318  C CA    . PHE    A  1  43  ? -1.336  -9.406  21.612  1.00 84.46 43  A  1 
ATOM   319  C C     . PHE    A  1  43  ? -0.558  -10.559 22.219  1.00 85.61 43  A  1 
ATOM   320  O O     . PHE    A  1  43  ? -0.505  -11.644 21.647  1.00 81.67 43  A  1 
ATOM   321  C CB    . PHE    A  1  43  ? -2.825  -9.501  21.957  1.00 80.37 43  A  1 
ATOM   322  C CG    . PHE    A  1  43  ? -3.143  -9.662  23.415  1.00 75.62 43  A  1 
ATOM   323  C CD1   . PHE    A  1  43  ? -3.116  -10.912 24.009  1.00 69.39 43  A  1 
ATOM   324  C CD2   . PHE    A  1  43  ? -3.506  -8.564  24.177  1.00 67.47 43  A  1 
ATOM   325  C CE1   . PHE    A  1  43  ? -3.440  -11.068 25.351  1.00 62.84 43  A  1 
ATOM   326  C CE2   . PHE    A  1  43  ? -3.835  -8.711  25.517  1.00 61.32 43  A  1 
ATOM   327  C CZ    . PHE    A  1  43  ? -3.802  -9.966  26.102  1.00 61.62 43  A  1 
ATOM   328  N N     . SER    A  1  44  ? 0.023   -10.324 23.372  1.00 82.53 44  A  1 
ATOM   329  C CA    . SER    A  1  44  ? 0.718   -11.399 24.059  1.00 82.51 44  A  1 
ATOM   330  C C     . SER    A  1  44  ? 0.445   -11.301 25.545  1.00 83.07 44  A  1 
ATOM   331  O O     . SER    A  1  44  ? 0.331   -10.205 26.097  1.00 79.46 44  A  1 
ATOM   332  C CB    . SER    A  1  44  ? 2.219   -11.355 23.793  1.00 78.98 44  A  1 
ATOM   333  O OG    . SER    A  1  44  ? 2.821   -10.247 24.412  1.00 67.35 44  A  1 
ATOM   334  N N     . ALA    A  1  45  ? 0.325   -12.449 26.172  1.00 84.48 45  A  1 
ATOM   335  C CA    . ALA    A  1  45  ? 0.052   -12.488 27.596  1.00 84.38 45  A  1 
ATOM   336  C C     . ALA    A  1  45  ? 0.383   -13.863 28.140  1.00 85.72 45  A  1 
ATOM   337  O O     . ALA    A  1  45  ? 0.417   -14.845 27.400  1.00 82.81 45  A  1 
ATOM   338  C CB    . ALA    A  1  45  ? -1.405  -12.165 27.868  1.00 81.09 45  A  1 
ATOM   339  N N     . ASN    A  1  46  ? 0.610   -13.914 29.436  1.00 86.47 46  A  1 
ATOM   340  C CA    . ASN    A  1  46  ? 0.890   -15.192 30.068  1.00 86.26 46  A  1 
ATOM   341  C C     . ASN    A  1  46  ? -0.432  -15.900 30.321  1.00 86.29 46  A  1 
ATOM   342  O O     . ASN    A  1  46  ? -1.366  -15.307 30.859  1.00 82.94 46  A  1 
ATOM   343  C CB    . ASN    A  1  46  ? 1.642   -14.991 31.375  1.00 84.00 46  A  1 
ATOM   344  C CG    . ASN    A  1  46  ? 3.056   -14.504 31.151  1.00 80.57 46  A  1 
ATOM   345  O OD1   . ASN    A  1  46  ? 3.722   -14.904 30.199  1.00 70.86 46  A  1 
ATOM   346  N ND2   . ASN    A  1  46  ? 3.530   -13.634 32.031  1.00 71.85 46  A  1 
ATOM   347  N N     . VAL    A  1  47  ? -0.494  -17.150 29.920  1.00 86.90 47  A  1 
ATOM   348  C CA    . VAL    A  1  47  ? -1.710  -17.940 30.070  1.00 86.79 47  A  1 
ATOM   349  C C     . VAL    A  1  47  ? -1.365  -19.258 30.743  1.00 86.65 47  A  1 
ATOM   350  O O     . VAL    A  1  47  ? -0.369  -19.891 30.407  1.00 84.10 47  A  1 
ATOM   351  C CB    . VAL    A  1  47  ? -2.356  -18.217 28.701  1.00 85.25 47  A  1 
ATOM   352  C CG1   . VAL    A  1  47  ? -3.608  -19.067 28.864  1.00 75.78 47  A  1 
ATOM   353  C CG2   . VAL    A  1  47  ? -2.693  -16.908 28.000  1.00 76.34 47  A  1 
ATOM   354  N N     . ALA    A  1  48  ? -2.204  -19.654 31.682  1.00 85.65 48  A  1 
ATOM   355  C CA    . ALA    A  1  48  ? -1.989  -20.912 32.380  1.00 85.18 48  A  1 
ATOM   356  C C     . ALA    A  1  48  ? -2.892  -21.991 31.804  1.00 85.01 48  A  1 
ATOM   357  O O     . ALA    A  1  48  ? -4.107  -21.819 31.730  1.00 81.71 48  A  1 
ATOM   358  C CB    . ALA    A  1  48  ? -2.267  -20.740 33.871  1.00 82.88 48  A  1 
ATOM   359  N N     . VAL    A  1  49  ? -2.285  -23.087 31.400  1.00 83.31 49  A  1 
ATOM   360  C CA    . VAL    A  1  49  ? -3.028  -24.218 30.856  1.00 82.77 49  A  1 
ATOM   361  C C     . VAL    A  1  49  ? -2.404  -25.487 31.425  1.00 82.28 49  A  1 
ATOM   362  O O     . VAL    A  1  49  ? -1.208  -25.720 31.271  1.00 79.30 49  A  1 
ATOM   363  C CB    . VAL    A  1  49  ? -2.970  -24.260 29.318  1.00 80.87 49  A  1 
ATOM   364  C CG1   . VAL    A  1  49  ? -3.686  -25.501 28.805  1.00 72.06 49  A  1 
ATOM   365  C CG2   . VAL    A  1  49  ? -3.605  -23.010 28.730  1.00 72.92 49  A  1 
ATOM   366  N N     . ASP    A  1  50  ? -3.229  -26.280 32.074  1.00 80.92 50  A  1 
ATOM   367  C CA    . ASP    A  1  50  ? -2.759  -27.527 32.682  1.00 80.20 50  A  1 
ATOM   368  C C     . ASP    A  1  50  ? -1.560  -27.299 33.603  1.00 80.26 50  A  1 
ATOM   369  O O     . ASP    A  1  50  ? -0.612  -28.085 33.620  1.00 75.34 50  A  1 
ATOM   370  C CB    . ASP    A  1  50  ? -2.401  -28.556 31.602  1.00 77.32 50  A  1 
ATOM   371  C CG    . ASP    A  1  50  ? -3.611  -29.026 30.812  1.00 71.85 50  A  1 
ATOM   372  O OD1   . ASP    A  1  50  ? -4.747  -28.856 31.297  1.00 65.22 50  A  1 
ATOM   373  O OD2   . ASP    A  1  50  ? -3.420  -29.577 29.710  1.00 65.16 50  A  1 
ATOM   374  N N     . GLY    A  1  51  ? -1.623  -26.225 34.361  1.00 82.43 51  A  1 
ATOM   375  C CA    . GLY    A  1  51  ? -0.550  -25.932 35.299  1.00 81.59 51  A  1 
ATOM   376  C C     . GLY    A  1  51  ? 0.712   -25.356 34.683  1.00 82.32 51  A  1 
ATOM   377  O O     . GLY    A  1  51  ? 1.678   -25.095 35.395  1.00 78.35 51  A  1 
ATOM   378  N N     . GLN    A  1  52  ? 0.705   -25.167 33.392  1.00 83.36 52  A  1 
ATOM   379  C CA    . GLN    A  1  52  ? 1.872   -24.614 32.714  1.00 83.04 52  A  1 
ATOM   380  C C     . GLN    A  1  52  ? 1.598   -23.172 32.313  1.00 83.77 52  A  1 
ATOM   381  O O     . GLN    A  1  52  ? 0.519   -22.856 31.818  1.00 81.12 52  A  1 
ATOM   382  C CB    . GLN    A  1  52  ? 2.209   -25.424 31.465  1.00 80.07 52  A  1 
ATOM   383  C CG    . GLN    A  1  52  ? 2.550   -26.876 31.735  1.00 71.73 52  A  1 
ATOM   384  C CD    . GLN    A  1  52  ? 2.926   -27.613 30.471  1.00 68.57 52  A  1 
ATOM   385  O OE1   . GLN    A  1  52  ? 3.944   -27.311 29.849  1.00 61.95 52  A  1 
ATOM   386  N NE2   . GLN    A  1  52  ? 2.106   -28.579 30.077  1.00 59.71 52  A  1 
ATOM   387  N N     . ILE    A  1  53  ? 2.582   -22.325 32.536  1.00 85.24 53  A  1 
ATOM   388  C CA    . ILE    A  1  53  ? 2.440   -20.927 32.156  1.00 85.23 53  A  1 
ATOM   389  C C     . ILE    A  1  53  ? 3.187   -20.709 30.845  1.00 85.51 53  A  1 
ATOM   390  O O     . ILE    A  1  53  ? 4.378   -20.997 30.749  1.00 82.02 53  A  1 
ATOM   391  C CB    . ILE    A  1  53  ? 3.031   -19.989 33.226  1.00 82.84 53  A  1 
ATOM   392  C CG1   . ILE    A  1  53  ? 2.421   -20.283 34.607  1.00 72.81 53  A  1 
ATOM   393  C CG2   . ILE    A  1  53  ? 2.791   -18.535 32.832  1.00 69.94 53  A  1 
ATOM   394  C CD1   . ILE    A  1  53  ? 0.929   -20.091 34.686  1.00 63.38 53  A  1 
ATOM   395  N N     . VAL    A  1  54  ? 2.475   -20.204 29.866  1.00 86.03 54  A  1 
ATOM   396  C CA    . VAL    A  1  54  ? 3.099   -19.933 28.576  1.00 86.52 54  A  1 
ATOM   397  C C     . VAL    A  1  54  ? 2.788   -18.506 28.162  1.00 86.65 54  A  1 
ATOM   398  O O     . VAL    A  1  54  ? 1.780   -17.935 28.573  1.00 84.56 54  A  1 
ATOM   399  C CB    . VAL    A  1  54  ? 2.603   -20.888 27.472  1.00 85.10 54  A  1 
ATOM   400  C CG1   . VAL    A  1  54  ? 2.860   -22.333 27.869  1.00 74.92 54  A  1 
ATOM   401  C CG2   . VAL    A  1  54  ? 1.124   -20.669 27.182  1.00 75.89 54  A  1 
ATOM   402  N N     . ASN    A  1  55  ? 3.659   -17.955 27.355  1.00 88.76 55  A  1 
ATOM   403  C CA    . ASN    A  1  55  ? 3.438   -16.613 26.842  1.00 89.04 55  A  1 
ATOM   404  C C     . ASN    A  1  55  ? 2.757   -16.815 25.496  1.00 89.14 55  A  1 
ATOM   405  O O     . ASN    A  1  55  ? 3.387   -17.257 24.536  1.00 86.54 55  A  1 
ATOM   406  C CB    . ASN    A  1  55  ? 4.767   -15.877 26.683  1.00 86.83 55  A  1 
ATOM   407  C CG    . ASN    A  1  55  ? 4.575   -14.406 26.389  1.00 80.11 55  A  1 
ATOM   408  O OD1   . ASN    A  1  55  ? 3.803   -14.032 25.512  1.00 69.23 55  A  1 
ATOM   409  N ND2   . ASN    A  1  55  ? 5.275   -13.560 27.127  1.00 69.92 55  A  1 
ATOM   410  N N     . LEU    A  1  56  ? 1.474   -16.522 25.452  1.00 88.56 56  A  1 
ATOM   411  C CA    . LEU    A  1  56  ? 0.696   -16.733 24.238  1.00 89.36 56  A  1 
ATOM   412  C C     . LEU    A  1  56  ? 0.608   -15.475 23.389  1.00 89.13 56  A  1 
ATOM   413  O O     . LEU    A  1  56  ? 0.119   -14.444 23.843  1.00 86.47 56  A  1 
ATOM   414  C CB    . LEU    A  1  56  ? -0.718  -17.190 24.600  1.00 88.37 56  A  1 
ATOM   415  C CG    . LEU    A  1  56  ? -1.683  -17.426 23.428  1.00 87.51 56  A  1 
ATOM   416  C CD1   . LEU    A  1  56  ? -1.210  -18.588 22.578  1.00 80.20 56  A  1 
ATOM   417  C CD2   . LEU    A  1  56  ? -3.087  -17.691 23.957  1.00 80.83 56  A  1 
ATOM   418  N N     . GLY    A  1  57  ? 1.067   -15.588 22.154  1.00 90.82 57  A  1 
ATOM   419  C CA    . GLY    A  1  57  ? 0.980   -14.488 21.223  1.00 90.82 57  A  1 
ATOM   420  C C     . GLY    A  1  57  ? -0.185  -14.753 20.293  1.00 91.27 57  A  1 
ATOM   421  O O     . GLY    A  1  57  ? -0.272  -15.826 19.704  1.00 88.83 57  A  1 
ATOM   422  N N     . LEU    A  1  58  ? -1.076  -13.780 20.182  1.00 89.24 58  A  1 
ATOM   423  C CA    . LEU    A  1  58  ? -2.247  -13.924 19.327  1.00 89.29 58  A  1 
ATOM   424  C C     . LEU    A  1  58  ? -2.133  -13.000 18.124  1.00 88.60 58  A  1 
ATOM   425  O O     . LEU    A  1  58  ? -1.971  -11.792 18.281  1.00 85.18 58  A  1 
ATOM   426  C CB    . LEU    A  1  58  ? -3.519  -13.587 20.107  1.00 88.07 58  A  1 
ATOM   427  C CG    . LEU    A  1  58  ? -3.810  -14.471 21.320  1.00 86.57 58  A  1 
ATOM   428  C CD1   . LEU    A  1  58  ? -4.997  -13.923 22.097  1.00 80.78 58  A  1 
ATOM   429  C CD2   . LEU    A  1  58  ? -4.087  -15.899 20.871  1.00 81.68 58  A  1 
ATOM   430  N N     . TRP    A  1  59  ? -2.233  -13.590 16.948  1.00 90.47 59  A  1 
ATOM   431  C CA    . TRP    A  1  59  ? -2.121  -12.830 15.709  1.00 90.19 59  A  1 
ATOM   432  C C     . TRP    A  1  59  ? -3.409  -12.941 14.910  1.00 89.64 59  A  1 
ATOM   433  O O     . TRP    A  1  59  ? -3.900  -14.043 14.669  1.00 85.31 59  A  1 
ATOM   434  C CB    . TRP    A  1  59  ? -0.971  -13.363 14.858  1.00 88.55 59  A  1 
ATOM   435  C CG    . TRP    A  1  59  ? 0.382   -13.194 15.469  1.00 86.25 59  A  1 
ATOM   436  C CD1   . TRP    A  1  59  ? 0.813   -13.702 16.662  1.00 75.08 59  A  1 
ATOM   437  C CD2   . TRP    A  1  59  ? 1.492   -12.472 14.927  1.00 81.75 59  A  1 
ATOM   438  N NE1   . TRP    A  1  59  ? 2.115   -13.333 16.896  1.00 75.77 59  A  1 
ATOM   439  C CE2   . TRP    A  1  59  ? 2.560   -12.582 15.846  1.00 79.41 59  A  1 
ATOM   440  C CE3   . TRP    A  1  59  ? 1.685   -11.742 13.750  1.00 74.74 59  A  1 
ATOM   441  C CZ2   . TRP    A  1  59  ? 3.803   -11.990 15.619  1.00 77.86 59  A  1 
ATOM   442  C CZ3   . TRP    A  1  59  ? 2.920   -11.155 13.525  1.00 68.42 59  A  1 
ATOM   443  C CH2   . TRP    A  1  59  ? 3.963   -11.281 14.453  1.00 70.84 59  A  1 
ATOM   444  N N     . ASP    A  1  60  ? -3.910  -11.801 14.483  1.00 87.17 60  A  1 
ATOM   445  C CA    . ASP    A  1  60  ? -5.112  -11.780 13.665  1.00 86.66 60  A  1 
ATOM   446  C C     . ASP    A  1  60  ? -4.672  -11.611 12.212  1.00 86.32 60  A  1 
ATOM   447  O O     . ASP    A  1  60  ? -3.567  -11.143 11.950  1.00 81.64 60  A  1 
ATOM   448  C CB    . ASP    A  1  60  ? -6.014  -10.617 14.087  1.00 84.49 60  A  1 
ATOM   449  C CG    . ASP    A  1  60  ? -7.448  -10.755 13.593  1.00 83.36 60  A  1 
ATOM   450  O OD1   . ASP    A  1  60  ? -7.772  -11.777 12.955  1.00 76.76 60  A  1 
ATOM   451  O OD2   . ASP    A  1  60  ? -8.258  -9.840  13.865  1.00 77.70 60  A  1 
ATOM   452  N N     . THR    A  1  61  ? -5.529  -12.002 11.293  1.00 87.19 61  A  1 
ATOM   453  C CA    . THR    A  1  61  ? -5.227  -11.843 9.872   1.00 86.23 61  A  1 
ATOM   454  C C     . THR    A  1  61  ? -6.512  -11.443 9.166   1.00 84.84 61  A  1 
ATOM   455  O O     . THR    A  1  61  ? -7.608  -11.600 9.705   1.00 78.76 61  A  1 
ATOM   456  C CB    . THR    A  1  61  ? -4.706  -13.138 9.218   1.00 84.51 61  A  1 
ATOM   457  O OG1   . THR    A  1  61  ? -5.728  -14.140 9.240   1.00 75.15 61  A  1 
ATOM   458  C CG2   . THR    A  1  61  ? -3.458  -13.659 9.917   1.00 74.11 61  A  1 
ATOM   459  N N     . ALA    A  1  62  ? -6.367  -10.941 7.961   1.00 85.21 62  A  1 
ATOM   460  C CA    . ALA    A  1  62  ? -7.531  -10.552 7.179   1.00 83.38 62  A  1 
ATOM   461  C C     . ALA    A  1  62  ? -7.915  -11.712 6.273   1.00 82.93 62  A  1 
ATOM   462  O O     . ALA    A  1  62  ? -7.051  -12.323 5.645   1.00 76.55 62  A  1 
ATOM   463  C CB    . ALA    A  1  62  ? -7.218  -9.320  6.346   1.00 79.07 62  A  1 
ATOM   464  N N     . GLY    A  1  63  ? -9.197  -12.000 6.217   1.00 82.05 63  A  1 
ATOM   465  C CA    . GLY    A  1  63  ? -9.656  -13.112 5.398   1.00 80.87 63  A  1 
ATOM   466  C C     . GLY    A  1  63  ? -9.967  -12.775 3.955   1.00 82.09 63  A  1 
ATOM   467  O O     . GLY    A  1  63  ? -10.118 -13.674 3.131   1.00 76.51 63  A  1 
ATOM   468  N N     . GLN    A  1  64  ? -10.062 -11.508 3.652   1.00 83.25 64  A  1 
ATOM   469  C CA    . GLN    A  1  64  ? -10.412 -11.080 2.301   1.00 82.94 64  A  1 
ATOM   470  C C     . GLN    A  1  64  ? -9.311  -11.386 1.290   1.00 83.56 64  A  1 
ATOM   471  O O     . GLN    A  1  64  ? -8.123  -11.360 1.609   1.00 79.22 64  A  1 
ATOM   472  C CB    . GLN    A  1  64  ? -10.728 -9.584  2.274   1.00 79.68 64  A  1 
ATOM   473  C CG    . GLN    A  1  64  ? -11.993 -9.179  3.033   1.00 72.77 64  A  1 
ATOM   474  C CD    . GLN    A  1  64  ? -11.823 -9.134  4.537   1.00 67.88 64  A  1 
ATOM   475  O OE1   . GLN    A  1  64  ? -10.725 -9.318  5.068   1.00 61.91 64  A  1 
ATOM   476  N NE2   . GLN    A  1  64  ? -12.919 -8.880  5.252   1.00 57.80 64  A  1 
ATOM   477  N N     . GLU    A  1  65  ? -9.740  -11.648 0.073   1.00 81.27 65  A  1 
ATOM   478  C CA    . GLU    A  1  65  ? -8.816  -11.987 -1.005  1.00 80.07 65  A  1 
ATOM   479  C C     . GLU    A  1  65  ? -7.773  -10.896 -1.253  1.00 80.81 65  A  1 
ATOM   480  O O     . GLU    A  1  65  ? -6.651  -11.190 -1.650  1.00 76.02 65  A  1 
ATOM   481  C CB    . GLU    A  1  65  ? -9.604  -12.257 -2.291  1.00 76.96 65  A  1 
ATOM   482  C CG    . GLU    A  1  65  ? -8.788  -12.876 -3.414  1.00 69.15 65  A  1 
ATOM   483  C CD    . GLU    A  1  65  ? -8.296  -14.275 -3.080  1.00 62.77 65  A  1 
ATOM   484  O OE1   . GLU    A  1  65  ? -8.914  -14.951 -2.227  1.00 57.07 65  A  1 
ATOM   485  O OE2   . GLU    A  1  65  ? -7.288  -14.703 -3.678  1.00 55.86 65  A  1 
ATOM   486  N N     . ASP    A  1  66  ? -8.153  -9.662  -1.007  1.00 80.62 66  A  1 
ATOM   487  C CA    . ASP    A  1  66  ? -7.233  -8.546  -1.238  1.00 80.60 66  A  1 
ATOM   488  C C     . ASP    A  1  66  ? -5.941  -8.651  -0.432  1.00 81.29 66  A  1 
ATOM   489  O O     . ASP    A  1  66  ? -4.928  -8.074  -0.815  1.00 77.45 66  A  1 
ATOM   490  C CB    . ASP    A  1  66  ? -7.906  -7.212  -0.905  1.00 77.58 66  A  1 
ATOM   491  C CG    . ASP    A  1  66  ? -8.963  -6.814  -1.917  1.00 71.36 66  A  1 
ATOM   492  O OD1   . ASP    A  1  66  ? -9.008  -7.407  -3.012  1.00 64.43 66  A  1 
ATOM   493  O OD2   . ASP    A  1  66  ? -9.742  -5.890  -1.612  1.00 64.32 66  A  1 
ATOM   494  N N     . TYR    A  1  67  ? -5.995  -9.358  0.680   1.00 80.37 67  A  1 
ATOM   495  C CA    . TYR    A  1  67  ? -4.825  -9.470  1.543   1.00 80.88 67  A  1 
ATOM   496  C C     . TYR    A  1  67  ? -4.001  -10.730 1.308   1.00 81.99 67  A  1 
ATOM   497  O O     . TYR    A  1  67  ? -3.130  -11.056 2.115   1.00 78.06 67  A  1 
ATOM   498  C CB    . TYR    A  1  67  ? -5.259  -9.413  3.005   1.00 78.09 67  A  1 
ATOM   499  C CG    . TYR    A  1  67  ? -5.907  -8.103  3.379   1.00 75.08 67  A  1 
ATOM   500  C CD1   . TYR    A  1  67  ? -5.140  -6.970  3.613   1.00 70.02 67  A  1 
ATOM   501  C CD2   . TYR    A  1  67  ? -7.288  -7.994  3.481   1.00 69.06 67  A  1 
ATOM   502  C CE1   . TYR    A  1  67  ? -5.730  -5.761  3.941   1.00 66.55 67  A  1 
ATOM   503  C CE2   . TYR    A  1  67  ? -7.888  -6.782  3.809   1.00 65.26 67  A  1 
ATOM   504  C CZ    . TYR    A  1  67  ? -7.103  -5.672  4.040   1.00 67.05 67  A  1 
ATOM   505  O OH    . TYR    A  1  67  ? -7.696  -4.472  4.368   1.00 63.59 67  A  1 
ATOM   506  N N     . SER    A  1  68  ? -4.255  -11.414 0.222   1.00 84.97 68  A  1 
ATOM   507  C CA    . SER    A  1  68  ? -3.538  -12.652 -0.056  1.00 84.46 68  A  1 
ATOM   508  C C     . SER    A  1  68  ? -2.020  -12.475 -0.130  1.00 85.13 68  A  1 
ATOM   509  O O     . SER    A  1  68  ? -1.280  -13.403 0.188   1.00 81.65 68  A  1 
ATOM   510  C CB    . SER    A  1  68  ? -4.044  -13.284 -1.353  1.00 82.40 68  A  1 
ATOM   511  O OG    . SER    A  1  68  ? -3.820  -12.435 -2.456  1.00 71.89 68  A  1 
ATOM   512  N N     . ARG    A  1  69  ? -1.574  -11.312 -0.527  1.00 84.57 69  A  1 
ATOM   513  C CA    . ARG    A  1  69  ? -0.136  -11.080 -0.619  1.00 84.50 69  A  1 
ATOM   514  C C     . ARG    A  1  69  ? 0.490   -10.709 0.723   1.00 85.22 69  A  1 
ATOM   515  O O     . ARG    A  1  69  ? 1.696   -10.842 0.900   1.00 81.55 69  A  1 
ATOM   516  C CB    . ARG    A  1  69  ? 0.167   -9.969  -1.620  1.00 82.56 69  A  1 
ATOM   517  C CG    . ARG    A  1  69  ? -0.114  -10.339 -3.062  1.00 75.53 69  A  1 
ATOM   518  C CD    . ARG    A  1  69  ? 0.165   -9.161  -3.964  1.00 72.63 69  A  1 
ATOM   519  N NE    . ARG    A  1  69  ? -0.042  -9.489  -5.375  1.00 63.63 69  A  1 
ATOM   520  C CZ    . ARG    A  1  69  ? -0.018  -8.598  -6.358  1.00 57.66 69  A  1 
ATOM   521  N NH1   . ARG    A  1  69  ? 0.211   -7.318  -6.095  1.00 51.69 69  A  1 
ATOM   522  N NH2   . ARG    A  1  69  ? -0.220  -8.988  -7.608  1.00 50.97 69  A  1 
ATOM   523  N N     . LEU    A  1  70  ? -0.324  -10.241 1.634   1.00 84.04 70  A  1 
ATOM   524  C CA    . LEU    A  1  70  ? 0.175   -9.782  2.928   1.00 84.04 70  A  1 
ATOM   525  C C     . LEU    A  1  70  ? -0.025  -10.790 4.050   1.00 84.35 70  A  1 
ATOM   526  O O     . LEU    A  1  70  ? 0.809   -10.895 4.951   1.00 80.69 70  A  1 
ATOM   527  C CB    . LEU    A  1  70  ? -0.516  -8.475  3.316   1.00 81.57 70  A  1 
ATOM   528  C CG    . LEU    A  1  70  ? -0.354  -7.303  2.349   1.00 76.72 70  A  1 
ATOM   529  C CD1   . LEU    A  1  70  ? -1.227  -6.143  2.791   1.00 70.53 70  A  1 
ATOM   530  C CD2   . LEU    A  1  70  ? 1.100   -6.880  2.270   1.00 69.81 70  A  1 
ATOM   531  N N     . ARG    A  1  71  ? -1.110  -11.486 3.997   1.00 83.49 71  A  1 
ATOM   532  C CA    . ARG    A  1  71  ? -1.471  -12.443 5.042   1.00 84.04 71  A  1 
ATOM   533  C C     . ARG    A  1  71  ? -0.351  -13.430 5.413   1.00 84.44 71  A  1 
ATOM   534  O O     . ARG    A  1  71  ? -0.098  -13.649 6.599   1.00 82.22 71  A  1 
ATOM   535  C CB    . ARG    A  1  71  ? -2.726  -13.190 4.602   1.00 82.39 71  A  1 
ATOM   536  C CG    . ARG    A  1  71  ? -3.388  -14.011 5.678   1.00 77.43 71  A  1 
ATOM   537  C CD    . ARG    A  1  71  ? -4.542  -14.808 5.092   1.00 78.61 71  A  1 
ATOM   538  N NE    . ARG    A  1  71  ? -5.455  -13.943 4.335   1.00 76.49 71  A  1 
ATOM   539  C CZ    . ARG    A  1  71  ? -5.740  -14.069 3.037   1.00 77.28 71  A  1 
ATOM   540  N NH1   . ARG    A  1  71  ? -5.206  -15.042 2.305   1.00 68.16 71  A  1 
ATOM   541  N NH2   . ARG    A  1  71  ? -6.575  -13.218 2.460   1.00 71.60 71  A  1 
ATOM   542  N N     . PRO    A  1  72  ? 0.322   -14.012 4.426   1.00 86.36 72  A  1 
ATOM   543  C CA    . PRO    A  1  72  ? 1.373   -14.981 4.780   1.00 86.96 72  A  1 
ATOM   544  C C     . PRO    A  1  72  ? 2.520   -14.394 5.595   1.00 87.59 72  A  1 
ATOM   545  O O     . PRO    A  1  72  ? 3.301   -15.147 6.178   1.00 84.79 72  A  1 
ATOM   546  C CB    . PRO    A  1  72  ? 1.865   -15.473 3.420   1.00 84.88 72  A  1 
ATOM   547  C CG    . PRO    A  1  72  ? 0.680   -15.309 2.534   1.00 82.41 72  A  1 
ATOM   548  C CD    . PRO    A  1  72  ? 0.064   -14.016 2.987   1.00 85.57 72  A  1 
ATOM   549  N N     . LEU    A  1  73  ? 2.612   -13.091 5.659   1.00 86.65 73  A  1 
ATOM   550  C CA    . LEU    A  1  73  ? 3.662   -12.463 6.451   1.00 86.32 73  A  1 
ATOM   551  C C     . LEU    A  1  73  ? 3.513   -12.829 7.926   1.00 86.57 73  A  1 
ATOM   552  O O     . LEU    A  1  73  ? 4.497   -12.837 8.663   1.00 83.37 73  A  1 
ATOM   553  C CB    . LEU    A  1  73  ? 3.618   -10.940 6.300   1.00 84.91 73  A  1 
ATOM   554  C CG    . LEU    A  1  73  ? 3.883   -10.380 4.898   1.00 81.36 73  A  1 
ATOM   555  C CD1   . LEU    A  1  73  ? 3.714   -8.872  4.896   1.00 74.62 73  A  1 
ATOM   556  C CD2   . LEU    A  1  73  ? 5.279   -10.760 4.436   1.00 74.32 73  A  1 
ATOM   557  N N     . SER    A  1  74  ? 2.295   -13.115 8.330   1.00 86.44 74  A  1 
ATOM   558  C CA    . SER    A  1  74  ? 2.034   -13.472 9.721   1.00 86.15 74  A  1 
ATOM   559  C C     . SER    A  1  74  ? 2.304   -14.946 10.015  1.00 86.76 74  A  1 
ATOM   560  O O     . SER    A  1  74  ? 2.311   -15.347 11.177  1.00 84.31 74  A  1 
ATOM   561  C CB    . SER    A  1  74  ? 0.584   -13.161 10.089  1.00 84.42 74  A  1 
ATOM   562  O OG    . SER    A  1  74  ? 0.320   -11.772 10.010  1.00 76.19 74  A  1 
ATOM   563  N N     . TYR    A  1  75  ? 2.510   -15.733 8.989   1.00 87.12 75  A  1 
ATOM   564  C CA    . TYR    A  1  75  ? 2.681   -17.169 9.179   1.00 87.63 75  A  1 
ATOM   565  C C     . TYR    A  1  75  ? 4.075   -17.584 9.638   1.00 87.58 75  A  1 
ATOM   566  O O     . TYR    A  1  75  ? 4.236   -18.669 10.196  1.00 83.78 75  A  1 
ATOM   567  C CB    . TYR    A  1  75  ? 2.364   -17.923 7.887   1.00 86.55 75  A  1 
ATOM   568  C CG    . TYR    A  1  75  ? 0.952   -17.763 7.359   1.00 86.57 75  A  1 
ATOM   569  C CD1   . TYR    A  1  75  ? -0.051  -17.164 8.109   1.00 80.19 75  A  1 
ATOM   570  C CD2   . TYR    A  1  75  ? 0.626   -18.245 6.095   1.00 80.94 75  A  1 
ATOM   571  C CE1   . TYR    A  1  75  ? -1.341  -17.030 7.612   1.00 80.07 75  A  1 
ATOM   572  C CE2   . TYR    A  1  75  ? -0.654  -18.123 5.589   1.00 79.88 75  A  1 
ATOM   573  C CZ    . TYR    A  1  75  ? -1.636  -17.512 6.346   1.00 83.53 75  A  1 
ATOM   574  O OH    . TYR    A  1  75  ? -2.910  -17.381 5.845   1.00 82.18 75  A  1 
ATOM   575  N N     . ARG    A  1  76  ? 5.050   -16.747 9.398   1.00 88.42 76  A  1 
ATOM   576  C CA    . ARG    A  1  76  ? 6.414   -17.096 9.772   1.00 87.77 76  A  1 
ATOM   577  C C     . ARG    A  1  76  ? 6.507   -17.267 11.285  1.00 88.12 76  A  1 
ATOM   578  O O     . ARG    A  1  76  ? 6.105   -16.390 12.045  1.00 84.68 76  A  1 
ATOM   579  C CB    . ARG    A  1  76  ? 7.378   -16.004 9.330   1.00 85.99 76  A  1 
ATOM   580  C CG    . ARG    A  1  76  ? 7.452   -15.802 7.825   1.00 76.94 76  A  1 
ATOM   581  C CD    . ARG    A  1  76  ? 8.414   -16.760 7.173   1.00 73.64 76  A  1 
ATOM   582  N NE    . ARG    A  1  76  ? 8.646   -16.416 5.768   1.00 64.71 76  A  1 
ATOM   583  C CZ    . ARG    A  1  76  ? 9.620   -16.924 5.018   1.00 57.96 76  A  1 
ATOM   584  N NH1   . ARG    A  1  76  ? 10.466  -17.818 5.530   1.00 51.37 76  A  1 
ATOM   585  N NH2   . ARG    A  1  76  ? 9.750   -16.552 3.758   1.00 51.15 76  A  1 
ATOM   586  N N     . GLY    A  1  77  ? 7.038   -18.384 11.693  1.00 87.95 77  A  1 
ATOM   587  C CA    . GLY    A  1  77  ? 7.196   -18.644 13.112  1.00 88.29 77  A  1 
ATOM   588  C C     . GLY    A  1  77  ? 5.944   -19.099 13.836  1.00 89.59 77  A  1 
ATOM   589  O O     . GLY    A  1  77  ? 5.976   -19.293 15.049  1.00 86.46 77  A  1 
ATOM   590  N N     . ALA    A  1  78  ? 4.854   -19.271 13.110  1.00 88.53 78  A  1 
ATOM   591  C CA    . ALA    A  1  78  ? 3.614   -19.695 13.753  1.00 89.26 78  A  1 
ATOM   592  C C     . ALA    A  1  78  ? 3.783   -21.081 14.368  1.00 89.22 78  A  1 
ATOM   593  O O     . ALA    A  1  78  ? 4.366   -21.976 13.753  1.00 86.36 78  A  1 
ATOM   594  C CB    . ALA    A  1  78  ? 2.472   -19.715 12.749  1.00 88.53 78  A  1 
ATOM   595  N N     . ASP    A  1  79  ? 3.276   -21.236 15.584  1.00 90.04 79  A  1 
ATOM   596  C CA    . ASP    A  1  79  ? 3.335   -22.529 16.260  1.00 89.79 79  A  1 
ATOM   597  C C     . ASP    A  1  79  ? 2.033   -23.286 16.060  1.00 90.28 79  A  1 
ATOM   598  O O     . ASP    A  1  79  ? 2.010   -24.513 16.122  1.00 87.75 79  A  1 
ATOM   599  C CB    . ASP    A  1  79  ? 3.597   -22.329 17.750  1.00 88.14 79  A  1 
ATOM   600  C CG    . ASP    A  1  79  ? 4.978   -21.773 18.018  1.00 86.51 79  A  1 
ATOM   601  O OD1   . ASP    A  1  79  ? 5.958   -22.384 17.548  1.00 78.76 79  A  1 
ATOM   602  O OD2   . ASP    A  1  79  ? 5.079   -20.726 18.687  1.00 78.52 79  A  1 
ATOM   603  N N     . ILE    A  1  80  ? 0.974   -22.548 15.832  1.00 90.76 80  A  1 
ATOM   604  C CA    . ILE    A  1  80  ? -0.321  -23.170 15.594  1.00 91.81 80  A  1 
ATOM   605  C C     . ILE    A  1  80  ? -1.252  -22.202 14.882  1.00 91.70 80  A  1 
ATOM   606  O O     . ILE    A  1  80  ? -1.186  -20.986 15.090  1.00 89.30 80  A  1 
ATOM   607  C CB    . ILE    A  1  80  ? -0.957  -23.650 16.915  1.00 90.97 80  A  1 
ATOM   608  C CG1   . ILE    A  1  80  ? -2.237  -24.447 16.634  1.00 82.31 80  A  1 
ATOM   609  C CG2   . ILE    A  1  80  ? -1.271  -22.463 17.830  1.00 82.76 80  A  1 
ATOM   610  C CD1   . ILE    A  1  80  ? -2.474  -25.565 17.586  1.00 79.51 80  A  1 
ATOM   611  N N     . PHE    A  1  81  ? -2.108  -22.760 14.049  1.00 91.48 81  A  1 
ATOM   612  C CA    . PHE    A  1  81  ? -3.108  -21.963 13.349  1.00 91.84 81  A  1 
ATOM   613  C C     . PHE    A  1  81  ? -4.478  -22.270 13.922  1.00 92.19 81  A  1 
ATOM   614  O O     . PHE    A  1  81  ? -4.804  -23.429 14.187  1.00 90.45 81  A  1 
ATOM   615  C CB    . PHE    A  1  81  ? -3.151  -22.307 11.858  1.00 91.02 81  A  1 
ATOM   616  C CG    . PHE    A  1  81  ? -1.993  -21.778 11.069  1.00 90.28 81  A  1 
ATOM   617  C CD1   . PHE    A  1  81  ? -1.856  -20.413 10.856  1.00 85.07 81  A  1 
ATOM   618  C CD2   . PHE    A  1  81  ? -1.056  -22.640 10.520  1.00 84.59 81  A  1 
ATOM   619  C CE1   . PHE    A  1  81  ? -0.792  -19.918 10.114  1.00 83.55 81  A  1 
ATOM   620  C CE2   . PHE    A  1  81  ? 0.007   -22.148 9.776   1.00 82.73 81  A  1 
ATOM   621  C CZ    . PHE    A  1  81  ? 0.140   -20.785 9.573   1.00 86.23 81  A  1 
ATOM   622  N N     . VAL    A  1  82  ? -5.266  -21.232 14.079  1.00 91.91 82  A  1 
ATOM   623  C CA    . VAL    A  1  82  ? -6.663  -21.395 14.449  1.00 92.32 82  A  1 
ATOM   624  C C     . VAL    A  1  82  ? -7.372  -21.043 13.150  1.00 92.02 82  A  1 
ATOM   625  O O     . VAL    A  1  82  ? -7.393  -19.880 12.738  1.00 89.83 82  A  1 
ATOM   626  C CB    . VAL    A  1  82  ? -7.079  -20.438 15.589  1.00 91.43 82  A  1 
ATOM   627  C CG1   . VAL    A  1  82  ? -8.598  -20.391 15.710  1.00 83.79 82  A  1 
ATOM   628  C CG2   . VAL    A  1  82  ? -6.470  -20.915 16.903  1.00 83.90 82  A  1 
ATOM   629  N N     . LEU    A  1  83  ? -7.903  -22.061 12.500  1.00 92.36 83  A  1 
ATOM   630  C CA    . LEU    A  1  83  ? -8.559  -21.872 11.211  1.00 92.83 83  A  1 
ATOM   631  C C     . LEU    A  1  83  ? -10.061 -21.815 11.446  1.00 93.02 83  A  1 
ATOM   632  O O     . LEU    A  1  83  ? -10.674 -22.806 11.840  1.00 90.85 83  A  1 
ATOM   633  C CB    . LEU    A  1  83  ? -8.188  -23.023 10.276  1.00 91.42 83  A  1 
ATOM   634  C CG    . LEU    A  1  83  ? -8.861  -23.116 8.903   1.00 89.44 83  A  1 
ATOM   635  C CD1   . LEU    A  1  83  ? -8.826  -21.792 8.169   1.00 80.95 83  A  1 
ATOM   636  C CD2   . LEU    A  1  83  ? -8.156  -24.194 8.082   1.00 81.90 83  A  1 
ATOM   637  N N     . ALA    A  1  84  ? -10.633 -20.662 11.207  1.00 92.65 84  A  1 
ATOM   638  C CA    . ALA    A  1  84  ? -12.042 -20.448 11.501  1.00 93.08 84  A  1 
ATOM   639  C C     . ALA    A  1  84  ? -12.946 -20.358 10.284  1.00 92.78 84  A  1 
ATOM   640  O O     . ALA    A  1  84  ? -12.556 -19.842 9.234   1.00 89.78 84  A  1 
ATOM   641  C CB    . ALA    A  1  84  ? -12.197 -19.182 12.336  1.00 91.80 84  A  1 
ATOM   642  N N     . PHE    A  1  85  ? -14.145 -20.849 10.456  1.00 92.56 85  A  1 
ATOM   643  C CA    . PHE    A  1  85  ? -15.192 -20.707 9.454   1.00 92.78 85  A  1 
ATOM   644  C C     . PHE    A  1  85  ? -16.460 -20.443 10.259  1.00 92.57 85  A  1 
ATOM   645  O O     . PHE    A  1  85  ? -16.541 -20.798 11.440  1.00 90.59 85  A  1 
ATOM   646  C CB    . PHE    A  1  85  ? -15.348 -21.967 8.585   1.00 92.28 85  A  1 
ATOM   647  C CG    . PHE    A  1  85  ? -15.919 -23.163 9.300   1.00 92.58 85  A  1 
ATOM   648  C CD1   . PHE    A  1  85  ? -15.078 -24.073 9.928   1.00 86.01 85  A  1 
ATOM   649  C CD2   . PHE    A  1  85  ? -17.288 -23.385 9.333   1.00 85.96 85  A  1 
ATOM   650  C CE1   . PHE    A  1  85  ? -15.598 -25.178 10.589  1.00 86.58 85  A  1 
ATOM   651  C CE2   . PHE    A  1  85  ? -17.817 -24.487 9.996   1.00 85.75 85  A  1 
ATOM   652  C CZ    . PHE    A  1  85  ? -16.970 -25.384 10.627  1.00 89.75 85  A  1 
ATOM   653  N N     . SER    A  1  86  ? -17.439 -19.837 9.630   1.00 93.14 86  A  1 
ATOM   654  C CA    . SER    A  1  86  ? -18.682 -19.546 10.333  1.00 92.82 86  A  1 
ATOM   655  C C     . SER    A  1  86  ? -19.681 -20.678 10.141  1.00 92.71 86  A  1 
ATOM   656  O O     . SER    A  1  86  ? -19.898 -21.142 9.022   1.00 90.61 86  A  1 
ATOM   657  C CB    . SER    A  1  86  ? -19.288 -18.242 9.823   1.00 91.31 86  A  1 
ATOM   658  O OG    . SER    A  1  86  ? -20.592 -18.057 10.342  1.00 82.66 86  A  1 
ATOM   659  N N     . LEU    A  1  87  ? -20.292 -21.083 11.226  1.00 92.08 87  A  1 
ATOM   660  C CA    . LEU    A  1  87  ? -21.280 -22.154 11.178  1.00 92.31 87  A  1 
ATOM   661  C C     . LEU    A  1  87  ? -22.524 -21.768 10.383  1.00 91.61 87  A  1 
ATOM   662  O O     . LEU    A  1  87  ? -23.333 -22.632 10.053  1.00 89.00 87  A  1 
ATOM   663  C CB    . LEU    A  1  87  ? -21.666 -22.563 12.599  1.00 91.83 87  A  1 
ATOM   664  C CG    . LEU    A  1  87  ? -20.544 -23.248 13.382  1.00 91.09 87  A  1 
ATOM   665  C CD1   . LEU    A  1  87  ? -20.867 -23.285 14.870  1.00 85.85 87  A  1 
ATOM   666  C CD2   . LEU    A  1  87  ? -20.331 -24.663 12.854  1.00 86.17 87  A  1 
ATOM   667  N N     . ILE    A  1  88  ? -22.659 -20.503 10.083  1.00 91.41 88  A  1 
ATOM   668  C CA    . ILE    A  1  88  ? -23.808 -20.052 9.301   1.00 90.72 88  A  1 
ATOM   669  C C     . ILE    A  1  88  ? -23.414 -19.630 7.887   1.00 90.60 88  A  1 
ATOM   670  O O     . ILE    A  1  88  ? -24.214 -19.023 7.172   1.00 86.75 88  A  1 
ATOM   671  C CB    . ILE    A  1  88  ? -24.550 -18.891 9.995   1.00 88.67 88  A  1 
ATOM   672  C CG1   . ILE    A  1  88  ? -23.647 -17.664 10.101  1.00 79.57 88  A  1 
ATOM   673  C CG2   . ILE    A  1  88  ? -25.044 -19.330 11.366  1.00 75.81 88  A  1 
ATOM   674  C CD1   . ILE    A  1  88  ? -24.380 -16.387 10.445  1.00 71.86 88  A  1 
ATOM   675  N N     . SER    A  1  89  ? -22.200 -19.947 7.498   1.00 90.97 89  A  1 
ATOM   676  C CA    . SER    A  1  89  ? -21.727 -19.582 6.167   1.00 90.71 89  A  1 
ATOM   677  C C     . SER    A  1  89  ? -21.143 -20.788 5.443   1.00 91.09 89  A  1 
ATOM   678  O O     . SER    A  1  89  ? -20.015 -21.199 5.715   1.00 89.33 89  A  1 
ATOM   679  C CB    . SER    A  1  89  ? -20.676 -18.482 6.249   1.00 89.21 89  A  1 
ATOM   680  O OG    . SER    A  1  89  ? -20.105 -18.235 4.973   1.00 83.16 89  A  1 
ATOM   681  N N     . LYS    A  1  90  ? -21.912 -21.317 4.509   1.00 91.19 90  A  1 
ATOM   682  C CA    . LYS    A  1  90  ? -21.456 -22.456 3.725   1.00 91.36 90  A  1 
ATOM   683  C C     . LYS    A  1  90  ? -20.197 -22.091 2.944   1.00 91.96 90  A  1 
ATOM   684  O O     . LYS    A  1  90  ? -19.290 -22.908 2.798   1.00 89.74 90  A  1 
ATOM   685  C CB    . LYS    A  1  90  ? -22.564 -22.895 2.765   1.00 89.78 90  A  1 
ATOM   686  C CG    . LYS    A  1  90  ? -22.202 -24.057 1.851   1.00 81.08 90  A  1 
ATOM   687  C CD    . LYS    A  1  90  ? -21.962 -25.338 2.623   1.00 74.68 90  A  1 
ATOM   688  C CE    . LYS    A  1  90  ? -21.738 -26.504 1.671   1.00 66.15 90  A  1 
ATOM   689  N NZ    . LYS    A  1  90  ? -21.472 -27.775 2.393   1.00 57.69 90  A  1 
ATOM   690  N N     . ALA    A  1  91  ? -20.151 -20.874 2.462   1.00 91.65 91  A  1 
ATOM   691  C CA    . ALA    A  1  91  ? -18.989 -20.430 1.698   1.00 91.46 91  A  1 
ATOM   692  C C     . ALA    A  1  91  ? -17.714 -20.478 2.537   1.00 91.69 91  A  1 
ATOM   693  O O     . ALA    A  1  91  ? -16.666 -20.916 2.060   1.00 88.96 91  A  1 
ATOM   694  C CB    . ALA    A  1  91  ? -19.213 -19.020 1.172   1.00 89.90 91  A  1 
ATOM   695  N N     . SER    A  1  92  ? -17.800 -20.025 3.777   1.00 91.19 92  A  1 
ATOM   696  C CA    . SER    A  1  92  ? -16.612 -20.029 4.630   1.00 90.83 92  A  1 
ATOM   697  C C     . SER    A  1  92  ? -16.167 -21.459 4.926   1.00 91.14 92  A  1 
ATOM   698  O O     . SER    A  1  92  ? -14.969 -21.733 5.037   1.00 88.36 92  A  1 
ATOM   699  C CB    . SER    A  1  92  ? -16.871 -19.260 5.933   1.00 89.64 92  A  1 
ATOM   700  O OG    . SER    A  1  92  ? -17.761 -19.943 6.785   1.00 82.75 92  A  1 
ATOM   701  N N     . TYR    A  1  93  ? -17.123 -22.345 5.050   1.00 91.24 93  A  1 
ATOM   702  C CA    . TYR    A  1  93  ? -16.827 -23.754 5.303   1.00 92.39 93  A  1 
ATOM   703  C C     . TYR    A  1  93  ? -16.110 -24.361 4.092   1.00 92.53 93  A  1 
ATOM   704  O O     . TYR    A  1  93  ? -15.091 -25.035 4.232   1.00 90.61 93  A  1 
ATOM   705  C CB    . TYR    A  1  93  ? -18.134 -24.495 5.595   1.00 92.16 93  A  1 
ATOM   706  C CG    . TYR    A  1  93  ? -18.014 -25.997 5.728   1.00 92.45 93  A  1 
ATOM   707  C CD1   . TYR    A  1  93  ? -18.139 -26.820 4.619   1.00 86.30 93  A  1 
ATOM   708  C CD2   . TYR    A  1  93  ? -17.809 -26.589 6.969   1.00 87.09 93  A  1 
ATOM   709  C CE1   . TYR    A  1  93  ? -18.055 -28.201 4.738   1.00 86.45 93  A  1 
ATOM   710  C CE2   . TYR    A  1  93  ? -17.726 -27.969 7.102   1.00 86.05 93  A  1 
ATOM   711  C CZ    . TYR    A  1  93  ? -17.846 -28.770 5.982   1.00 89.75 93  A  1 
ATOM   712  O OH    . TYR    A  1  93  ? -17.768 -30.139 6.102   1.00 88.57 93  A  1 
ATOM   713  N N     . GLU    A  1  94  ? -16.649 -24.106 2.923   1.00 92.48 94  A  1 
ATOM   714  C CA    . GLU    A  1  94  ? -16.043 -24.637 1.700   1.00 92.40 94  A  1 
ATOM   715  C C     . GLU    A  1  94  ? -14.653 -24.065 1.451   1.00 92.23 94  A  1 
ATOM   716  O O     . GLU    A  1  94  ? -13.768 -24.758 0.944   1.00 89.68 94  A  1 
ATOM   717  C CB    . GLU    A  1  94  ? -16.947 -24.346 0.504   1.00 91.09 94  A  1 
ATOM   718  C CG    . GLU    A  1  94  ? -18.275 -25.085 0.557   1.00 86.25 94  A  1 
ATOM   719  C CD    . GLU    A  1  94  ? -19.208 -24.714 -0.584  1.00 82.37 94  A  1 
ATOM   720  O OE1   . GLU    A  1  94  ? -18.989 -23.664 -1.219  1.00 74.78 94  A  1 
ATOM   721  O OE2   . GLU    A  1  94  ? -20.164 -25.473 -0.835  1.00 74.53 94  A  1 
ATOM   722  N N     . ASN    A  1  95  ? -14.465 -22.818 1.816   1.00 90.77 95  A  1 
ATOM   723  C CA    . ASN    A  1  95  ? -13.168 -22.192 1.593   1.00 90.44 95  A  1 
ATOM   724  C C     . ASN    A  1  95  ? -12.064 -22.750 2.486   1.00 90.69 95  A  1 
ATOM   725  O O     . ASN    A  1  95  ? -10.889 -22.498 2.228   1.00 88.11 95  A  1 
ATOM   726  C CB    . ASN    A  1  95  ? -13.263 -20.674 1.753   1.00 89.18 95  A  1 
ATOM   727  C CG    . ASN    A  1  95  ? -13.812 -19.996 0.511   1.00 87.41 95  A  1 
ATOM   728  O OD1   . ASN    A  1  95  ? -13.708 -20.525 -0.592  1.00 78.50 95  A  1 
ATOM   729  N ND2   . ASN    A  1  95  ? -14.382 -18.813 0.679   1.00 78.36 95  A  1 
ATOM   730  N N     . VAL    A  1  96  ? -12.427 -23.486 3.505   1.00 91.40 96  A  1 
ATOM   731  C CA    . VAL    A  1  96  ? -11.396 -24.094 4.343   1.00 91.47 96  A  1 
ATOM   732  C C     . VAL    A  1  96  ? -10.550 -25.020 3.460   1.00 91.51 96  A  1 
ATOM   733  O O     . VAL    A  1  96  ? -9.319  -25.001 3.529   1.00 89.46 96  A  1 
ATOM   734  C CB    . VAL    A  1  96  ? -12.018 -24.883 5.508   1.00 90.89 96  A  1 
ATOM   735  C CG1   . VAL    A  1  96  ? -10.960 -25.745 6.191   1.00 81.99 96  A  1 
ATOM   736  C CG2   . VAL    A  1  96  ? -12.636 -23.924 6.515   1.00 83.43 96  A  1 
ATOM   737  N N     . LEU    A  1  97  ? -11.206 -25.798 2.628   1.00 91.94 97  A  1 
ATOM   738  C CA    . LEU    A  1  97  ? -10.496 -26.712 1.735   1.00 92.06 97  A  1 
ATOM   739  C C     . LEU    A  1  97  ? -10.021 -26.039 0.451   1.00 92.11 97  A  1 
ATOM   740  O O     . LEU    A  1  97  ? -8.910  -26.294 -0.010  1.00 89.43 97  A  1 
ATOM   741  C CB    . LEU    A  1  97  ? -11.383 -27.900 1.364   1.00 90.21 97  A  1 
ATOM   742  C CG    . LEU    A  1  97  ? -11.522 -29.002 2.409   1.00 82.42 97  A  1 
ATOM   743  C CD1   . LEU    A  1  97  ? -12.624 -29.963 2.005   1.00 75.75 97  A  1 
ATOM   744  C CD2   . LEU    A  1  97  ? -10.197 -29.746 2.567   1.00 75.25 97  A  1 
ATOM   745  N N     . LYS    A  1  98  ? -10.863 -25.209 -0.116  1.00 92.02 98  A  1 
ATOM   746  C CA    . LYS    A  1  98  ? -10.540 -24.592 -1.399  1.00 91.94 98  A  1 
ATOM   747  C C     . LYS    A  1  98  ? -9.534  -23.449 -1.331  1.00 91.75 98  A  1 
ATOM   748  O O     . LYS    A  1  98  ? -8.789  -23.226 -2.287  1.00 88.87 98  A  1 
ATOM   749  C CB    . LYS    A  1  98  ? -11.813 -24.099 -2.081  1.00 90.53 98  A  1 
ATOM   750  C CG    . LYS    A  1  98  ? -12.825 -25.202 -2.379  1.00 81.18 98  A  1 
ATOM   751  C CD    . LYS    A  1  98  ? -13.947 -24.719 -3.287  1.00 76.59 98  A  1 
ATOM   752  C CE    . LYS    A  1  98  ? -14.774 -23.624 -2.655  1.00 65.57 98  A  1 
ATOM   753  N NZ    . LYS    A  1  98  ? -15.919 -23.219 -3.529  1.00 57.76 98  A  1 
ATOM   754  N N     . LYS    A  1  99  ? -9.521  -22.739 -0.233  1.00 91.17 99  A  1 
ATOM   755  C CA    . LYS    A  1  99  ? -8.666  -21.563 -0.130  1.00 90.90 99  A  1 
ATOM   756  C C     . LYS    A  1  99  ? -7.622  -21.653 0.975   1.00 91.07 99  A  1 
ATOM   757  O O     . LYS    A  1  99  ? -6.428  -21.479 0.720   1.00 88.99 99  A  1 
ATOM   758  C CB    . LYS    A  1  99  ? -9.535  -20.327 0.089   1.00 88.92 99  A  1 
ATOM   759  C CG    . LYS    A  1  99  ? -8.778  -19.035 0.341   1.00 81.07 99  A  1 
ATOM   760  C CD    . LYS    A  1  99  ? -9.750  -17.889 0.562   1.00 79.00 99  A  1 
ATOM   761  C CE    . LYS    A  1  99  ? -9.027  -16.600 0.896   1.00 71.10 99  A  1 
ATOM   762  N NZ    . LYS    A  1  99  ? -9.984  -15.479 1.134   1.00 65.53 99  A  1 
ATOM   763  N N     . TRP    A  1  100 ? -8.077  -21.903 2.186   1.00 91.89 100 A  1 
ATOM   764  C CA    . TRP    A  1  100 ? -7.161  -21.882 3.319   1.00 91.83 100 A  1 
ATOM   765  C C     . TRP    A  1  100 ? -6.154  -23.016 3.390   1.00 91.74 100 A  1 
ATOM   766  O O     . TRP    A  1  100 ? -4.977  -22.772 3.656   1.00 88.86 100 A  1 
ATOM   767  C CB    . TRP    A  1  100 ? -7.953  -21.768 4.621   1.00 91.25 100 A  1 
ATOM   768  C CG    . TRP    A  1  100 ? -8.734  -20.503 4.617   1.00 90.47 100 A  1 
ATOM   769  C CD1   . TRP    A  1  100 ? -10.078 -20.360 4.425   1.00 84.27 100 A  1 
ATOM   770  C CD2   . TRP    A  1  100 ? -8.195  -19.180 4.687   1.00 88.21 100 A  1 
ATOM   771  N NE1   . TRP    A  1  100 ? -10.407 -19.027 4.385   1.00 85.79 100 A  1 
ATOM   772  C CE2   . TRP    A  1  100 ? -9.271  -18.278 4.536   1.00 86.86 100 A  1 
ATOM   773  C CE3   . TRP    A  1  100 ? -6.907  -18.664 4.859   1.00 85.44 100 A  1 
ATOM   774  C CZ2   . TRP    A  1  100 ? -9.094  -16.894 4.552   1.00 87.11 100 A  1 
ATOM   775  C CZ3   . TRP    A  1  100 ? -6.735  -17.289 4.878   1.00 81.22 100 A  1 
ATOM   776  C CH2   . TRP    A  1  100 ? -7.823  -16.418 4.725   1.00 83.17 100 A  1 
ATOM   777  N N     . MET    A  1  101 ? -6.577  -24.211 3.150   1.00 91.50 101 A  1 
ATOM   778  C CA    . MET    A  1  101 ? -5.629  -25.313 3.225   1.00 91.65 101 A  1 
ATOM   779  C C     . MET    A  1  101 ? -4.521  -25.203 2.168   1.00 91.43 101 A  1 
ATOM   780  O O     . MET    A  1  101 ? -3.356  -25.422 2.491   1.00 88.99 101 A  1 
ATOM   781  C CB    . MET    A  1  101 ? -6.339  -26.660 3.154   1.00 90.80 101 A  1 
ATOM   782  C CG    . MET    A  1  101 ? -7.150  -26.979 4.407   1.00 85.31 101 A  1 
ATOM   783  S SD    . MET    A  1  101 ? -6.209  -26.834 5.948   1.00 84.84 101 A  1 
ATOM   784  C CE    . MET    A  1  101 ? -4.937  -28.062 5.698   1.00 76.72 101 A  1 
ATOM   785  N N     . PRO    A  1  102 ? -4.859  -24.860 0.937   1.00 90.51 102 A  1 
ATOM   786  C CA    . PRO    A  1  102 ? -3.771  -24.696 -0.040  1.00 90.40 102 A  1 
ATOM   787  C C     . PRO    A  1  102 ? -2.788  -23.604 0.380   1.00 90.42 102 A  1 
ATOM   788  O O     . PRO    A  1  102 ? -1.575  -23.756 0.209   1.00 88.19 102 A  1 
ATOM   789  C CB    . PRO    A  1  102 ? -4.512  -24.327 -1.328  1.00 89.04 102 A  1 
ATOM   790  C CG    . PRO    A  1  102 ? -5.826  -25.013 -1.181  1.00 86.67 102 A  1 
ATOM   791  C CD    . PRO    A  1  102 ? -6.169  -24.859 0.282   1.00 89.66 102 A  1 
ATOM   792  N N     . GLU    A  1  103 ? -3.299  -22.531 0.938   1.00 89.87 103 A  1 
ATOM   793  C CA    . GLU    A  1  103 ? -2.431  -21.441 1.372   1.00 89.49 103 A  1 
ATOM   794  C C     . GLU    A  1  103 ? -1.547  -21.871 2.545   1.00 89.33 103 A  1 
ATOM   795  O O     . GLU    A  1  103 ? -0.341  -21.619 2.550   1.00 86.97 103 A  1 
ATOM   796  C CB    . GLU    A  1  103 ? -3.254  -20.215 1.754   1.00 87.89 103 A  1 
ATOM   797  C CG    . GLU    A  1  103 ? -2.412  -19.036 2.221   1.00 83.24 103 A  1 
ATOM   798  C CD    . GLU    A  1  103 ? -3.210  -17.752 2.345   1.00 82.29 103 A  1 
ATOM   799  O OE1   . GLU    A  1  103 ? -3.805  -17.328 1.335   1.00 76.94 103 A  1 
ATOM   800  O OE2   . GLU    A  1  103 ? -3.246  -17.176 3.446   1.00 77.11 103 A  1 
ATOM   801  N N     . LEU    A  1  104 ? -2.146  -22.507 3.526   1.00 89.35 104 A  1 
ATOM   802  C CA    . LEU    A  1  104 ? -1.374  -22.942 4.683   1.00 89.44 104 A  1 
ATOM   803  C C     . LEU    A  1  104 ? -0.351  -24.011 4.301   1.00 88.81 104 A  1 
ATOM   804  O O     . LEU    A  1  104 ? 0.758   -24.019 4.830   1.00 85.60 104 A  1 
ATOM   805  C CB    . LEU    A  1  104 ? -2.295  -23.460 5.787   1.00 88.50 104 A  1 
ATOM   806  C CG    . LEU    A  1  104 ? -3.244  -22.421 6.396   1.00 87.19 104 A  1 
ATOM   807  C CD1   . LEU    A  1  104 ? -4.130  -23.074 7.442   1.00 80.42 104 A  1 
ATOM   808  C CD2   . LEU    A  1  104 ? -2.465  -21.265 7.007   1.00 80.94 104 A  1 
ATOM   809  N N     . ARG    A  1  105 ? -0.718  -24.883 3.399   1.00 89.99 105 A  1 
ATOM   810  C CA    . ARG    A  1  105 ? 0.219   -25.919 2.966   1.00 89.39 105 A  1 
ATOM   811  C C     . ARG    A  1  105 ? 1.411   -25.302 2.237   1.00 89.52 105 A  1 
ATOM   812  O O     . ARG    A  1  105 ? 2.532   -25.787 2.347   1.00 85.90 105 A  1 
ATOM   813  C CB    . ARG    A  1  105 ? -0.466  -26.938 2.055   1.00 87.85 105 A  1 
ATOM   814  C CG    . ARG    A  1  105 ? -1.356  -27.939 2.775   1.00 80.88 105 A  1 
ATOM   815  C CD    . ARG    A  1  105 ? -1.694  -29.118 1.872   1.00 75.59 105 A  1 
ATOM   816  N NE    . ARG    A  1  105 ? -2.493  -28.711 0.709   1.00 67.58 105 A  1 
ATOM   817  C CZ    . ARG    A  1  105 ? -3.821  -28.694 0.668   1.00 60.88 105 A  1 
ATOM   818  N NH1   . ARG    A  1  105 ? -4.535  -29.071 1.726   1.00 53.42 105 A  1 
ATOM   819  N NH2   . ARG    A  1  105 ? -4.452  -28.301 -0.434  1.00 54.41 105 A  1 
ATOM   820  N N     . ARG    A  1  106 ? 1.142   -24.259 1.512   1.00 89.53 106 A  1 
ATOM   821  C CA    . ARG    A  1  106 ? 2.215   -23.610 0.770   1.00 89.22 106 A  1 
ATOM   822  C C     . ARG    A  1  106 ? 3.200   -22.883 1.678   1.00 88.94 106 A  1 
ATOM   823  O O     . ARG    A  1  106 ? 4.414   -23.010 1.512   1.00 86.03 106 A  1 
ATOM   824  C CB    . ARG    A  1  106 ? 1.644   -22.619 -0.239  1.00 87.44 106 A  1 
ATOM   825  C CG    . ARG    A  1  106 ? 2.722   -21.865 -1.006  1.00 79.62 106 A  1 
ATOM   826  C CD    . ARG    A  1  106 ? 2.134   -20.850 -1.965  1.00 77.06 106 A  1 
ATOM   827  N NE    . ARG    A  1  106 ? 3.189   -20.062 -2.600  1.00 68.78 106 A  1 
ATOM   828  C CZ    . ARG    A  1  106 ? 2.976   -19.021 -3.400  1.00 63.58 106 A  1 
ATOM   829  N NH1   . ARG    A  1  106 ? 1.739   -18.636 -3.684  1.00 57.44 106 A  1 
ATOM   830  N NH2   . ARG    A  1  106 ? 3.996   -18.365 -3.918  1.00 56.04 106 A  1 
ATOM   831  N N     . PHE    A  1  107 ? 2.675   -22.122 2.616   1.00 88.55 107 A  1 
ATOM   832  C CA    . PHE    A  1  107 ? 3.538   -21.296 3.457   1.00 87.53 107 A  1 
ATOM   833  C C     . PHE    A  1  107 ? 3.924   -21.868 4.818   1.00 87.15 107 A  1 
ATOM   834  O O     . PHE    A  1  107 ? 4.919   -21.432 5.401   1.00 82.06 107 A  1 
ATOM   835  C CB    . PHE    A  1  107 ? 2.891   -19.929 3.647   1.00 85.90 107 A  1 
ATOM   836  C CG    . PHE    A  1  107 ? 2.734   -19.153 2.369   1.00 84.46 107 A  1 
ATOM   837  C CD1   . PHE    A  1  107 ? 3.824   -18.510 1.798   1.00 77.59 107 A  1 
ATOM   838  C CD2   . PHE    A  1  107 ? 1.506   -19.074 1.728   1.00 77.40 107 A  1 
ATOM   839  C CE1   . PHE    A  1  107 ? 3.689   -17.806 0.609   1.00 75.66 107 A  1 
ATOM   840  C CE2   . PHE    A  1  107 ? 1.368   -18.370 0.536   1.00 74.80 107 A  1 
ATOM   841  C CZ    . PHE    A  1  107 ? 2.463   -17.734 -0.022  1.00 76.44 107 A  1 
ATOM   842  N N     . ALA    A  1  108 ? 3.151   -22.801 5.322   1.00 88.17 108 A  1 
ATOM   843  C CA    . ALA    A  1  108 ? 3.423   -23.365 6.641   1.00 88.32 108 A  1 
ATOM   844  C C     . ALA    A  1  108 ? 2.861   -24.785 6.719   1.00 88.62 108 A  1 
ATOM   845  O O     . ALA    A  1  108 ? 1.974   -25.075 7.525   1.00 84.76 108 A  1 
ATOM   846  C CB    . ALA    A  1  108 ? 2.803   -22.482 7.722   1.00 86.46 108 A  1 
ATOM   847  N N     . PRO    A  1  109 ? 3.365   -25.669 5.880   1.00 88.36 109 A  1 
ATOM   848  C CA    . PRO    A  1  109 ? 2.837   -27.034 5.788   1.00 87.29 109 A  1 
ATOM   849  C C     . PRO    A  1  109 ? 2.901   -27.915 7.031   1.00 86.61 109 A  1 
ATOM   850  O O     . PRO    A  1  109 ? 2.095   -28.835 7.161   1.00 80.10 109 A  1 
ATOM   851  C CB    . PRO    A  1  109 ? 3.657   -27.638 4.642   1.00 84.98 109 A  1 
ATOM   852  C CG    . PRO    A  1  109 ? 4.946   -26.893 4.689   1.00 81.79 109 A  1 
ATOM   853  C CD    . PRO    A  1  109 ? 4.533   -25.480 5.011   1.00 85.33 109 A  1 
ATOM   854  N N     . ASN    A  1  110 ? 3.832   -27.653 7.926   1.00 87.44 110 A  1 
ATOM   855  C CA    . ASN    A  1  110 ? 3.966   -28.515 9.095   1.00 87.06 110 A  1 
ATOM   856  C C     . ASN    A  1  110 ? 3.462   -27.931 10.410  1.00 87.38 110 A  1 
ATOM   857  O O     . ASN    A  1  110 ? 3.748   -28.469 11.476  1.00 83.00 110 A  1 
ATOM   858  C CB    . ASN    A  1  110 ? 5.424   -28.951 9.243   1.00 84.01 110 A  1 
ATOM   859  C CG    . ASN    A  1  110 ? 5.885   -29.809 8.086   1.00 77.54 110 A  1 
ATOM   860  O OD1   . ASN    A  1  110 ? 5.144   -30.664 7.599   1.00 67.73 110 A  1 
ATOM   861  N ND2   . ASN    A  1  110 ? 7.108   -29.583 7.630   1.00 67.56 110 A  1 
ATOM   862  N N     . VAL    A  1  111 ? 2.719   -26.860 10.324  1.00 88.94 111 A  1 
ATOM   863  C CA    . VAL    A  1  111 ? 2.182   -26.246 11.535  1.00 89.47 111 A  1 
ATOM   864  C C     . VAL    A  1  111 ? 0.793   -26.829 11.802  1.00 90.12 111 A  1 
ATOM   865  O O     . VAL    A  1  111 ? -0.041  -26.873 10.902  1.00 88.04 111 A  1 
ATOM   866  C CB    . VAL    A  1  111 ? 2.096   -24.716 11.377  1.00 88.12 111 A  1 
ATOM   867  C CG1   . VAL    A  1  111 ? 1.463   -24.087 12.609  1.00 80.02 111 A  1 
ATOM   868  C CG2   . VAL    A  1  111 ? 3.489   -24.145 11.143  1.00 80.78 111 A  1 
ATOM   869  N N     . PRO    A  1  112 ? 0.550   -27.273 13.032  1.00 90.34 112 A  1 
ATOM   870  C CA    . PRO    A  1  112 ? -0.762  -27.861 13.329  1.00 90.88 112 A  1 
ATOM   871  C C     . PRO    A  1  112 ? -1.895  -26.844 13.246  1.00 91.39 112 A  1 
ATOM   872  O O     . PRO    A  1  112 ? -1.676  -25.635 13.341  1.00 89.14 112 A  1 
ATOM   873  C CB    . PRO    A  1  112 ? -0.590  -28.406 14.751  1.00 89.09 112 A  1 
ATOM   874  C CG    . PRO    A  1  112 ? 0.490   -27.564 15.337  1.00 85.51 112 A  1 
ATOM   875  C CD    . PRO    A  1  112 ? 1.444   -27.317 14.197  1.00 88.35 112 A  1 
ATOM   876  N N     . ILE    A  1  113 ? -3.094  -27.369 13.073  1.00 90.92 113 A  1 
ATOM   877  C CA    . ILE    A  1  113 ? -4.279  -26.534 12.900  1.00 91.72 113 A  1 
ATOM   878  C C     . ILE    A  1  113 ? -5.393  -26.944 13.850  1.00 92.03 113 A  1 
ATOM   879  O O     . ILE    A  1  113 ? -5.643  -28.136 14.045  1.00 90.02 113 A  1 
ATOM   880  C CB    . ILE    A  1  113 ? -4.816  -26.657 11.460  1.00 90.50 113 A  1 
ATOM   881  C CG1   . ILE    A  1  113 ? -3.765  -26.185 10.451  1.00 83.33 113 A  1 
ATOM   882  C CG2   . ILE    A  1  113 ? -6.123  -25.890 11.295  1.00 83.02 113 A  1 
ATOM   883  C CD1   . ILE    A  1  113 ? -4.071  -26.587 9.020   1.00 79.95 113 A  1 
ATOM   884  N N     . VAL    A  1  114 ? -6.046  -25.953 14.416  1.00 92.42 114 A  1 
ATOM   885  C CA    . VAL    A  1  114 ? -7.241  -26.188 15.221  1.00 92.80 114 A  1 
ATOM   886  C C     . VAL    A  1  114 ? -8.366  -25.576 14.398  1.00 92.78 114 A  1 
ATOM   887  O O     . VAL    A  1  114 ? -8.371  -24.370 14.144  1.00 90.73 114 A  1 
ATOM   888  C CB    . VAL    A  1  114 ? -7.164  -25.505 16.603  1.00 91.81 114 A  1 
ATOM   889  C CG1   . VAL    A  1  114 ? -8.524  -25.577 17.298  1.00 82.28 114 A  1 
ATOM   890  C CG2   . VAL    A  1  114 ? -6.110  -26.187 17.463  1.00 82.44 114 A  1 
ATOM   891  N N     . LEU    A  1  115 ? -9.294  -26.417 13.981  1.00 92.75 115 A  1 
ATOM   892  C CA    . LEU    A  1  115 ? -10.417 -25.949 13.178  1.00 93.33 115 A  1 
ATOM   893  C C     . LEU    A  1  115 ? -11.507 -25.438 14.112  1.00 93.49 115 A  1 
ATOM   894  O O     . LEU    A  1  115 ? -11.854 -26.101 15.091  1.00 91.60 115 A  1 
ATOM   895  C CB    . LEU    A  1  115 ? -10.958 -27.096 12.324  1.00 92.51 115 A  1 
ATOM   896  C CG    . LEU    A  1  115 ? -12.130 -26.772 11.392  1.00 90.78 115 A  1 
ATOM   897  C CD1   . LEU    A  1  115 ? -11.693 -25.800 10.304  1.00 83.41 115 A  1 
ATOM   898  C CD2   . LEU    A  1  115 ? -12.654 -28.059 10.768  1.00 84.09 115 A  1 
ATOM   899  N N     . VAL    A  1  116 ? -12.037 -24.274 13.810  1.00 93.14 116 A  1 
ATOM   900  C CA    . VAL    A  1  116 ? -13.056 -23.672 14.669  1.00 93.33 116 A  1 
ATOM   901  C C     . VAL    A  1  116 ? -14.275 -23.233 13.876  1.00 93.03 116 A  1 
ATOM   902  O O     . VAL    A  1  116 ? -14.155 -22.556 12.856  1.00 90.46 116 A  1 
ATOM   903  C CB    . VAL    A  1  116 ? -12.489 -22.451 15.421  1.00 91.91 116 A  1 
ATOM   904  C CG1   . VAL    A  1  116 ? -13.567 -21.809 16.285  1.00 81.11 116 A  1 
ATOM   905  C CG2   . VAL    A  1  116 ? -11.302 -22.864 16.278  1.00 82.03 116 A  1 
ATOM   906  N N     . GLY    A  1  117 ? -15.446 -23.608 14.379  1.00 93.33 117 A  1 
ATOM   907  C CA    . GLY    A  1  117 ? -16.693 -23.179 13.773  1.00 93.35 117 A  1 
ATOM   908  C C     . GLY    A  1  117 ? -17.218 -22.059 14.653  1.00 93.53 117 A  1 
ATOM   909  O O     . GLY    A  1  117 ? -17.477 -22.275 15.834  1.00 90.94 117 A  1 
ATOM   910  N N     . THR    A  1  118 ? -17.358 -20.886 14.090  1.00 92.83 118 A  1 
ATOM   911  C CA    . THR    A  1  118 ? -17.785 -19.723 14.869  1.00 92.60 118 A  1 
ATOM   912  C C     . THR    A  1  118 ? -19.274 -19.411 14.752  1.00 92.18 118 A  1 
ATOM   913  O O     . THR    A  1  118 ? -19.993 -20.005 13.949  1.00 89.34 118 A  1 
ATOM   914  C CB    . THR    A  1  118 ? -16.992 -18.480 14.444  1.00 91.29 118 A  1 
ATOM   915  O OG1   . THR    A  1  118 ? -17.286 -18.194 13.074  1.00 80.63 118 A  1 
ATOM   916  C CG2   . THR    A  1  118 ? -15.496 -18.699 14.608  1.00 80.86 118 A  1 
ATOM   917  N N     . LYS    A  1  119 ? -19.708 -18.470 15.563  1.00 92.15 119 A  1 
ATOM   918  C CA    . LYS    A  1  119 ? -21.098 -18.009 15.590  1.00 91.88 119 A  1 
ATOM   919  C C     . LYS    A  1  119 ? -22.080 -19.128 15.949  1.00 91.82 119 A  1 
ATOM   920  O O     . LYS    A  1  119 ? -23.183 -19.216 15.394  1.00 88.45 119 A  1 
ATOM   921  C CB    . LYS    A  1  119 ? -21.478 -17.357 14.258  1.00 90.06 119 A  1 
ATOM   922  C CG    . LYS    A  1  119 ? -20.566 -16.196 13.876  1.00 88.53 119 A  1 
ATOM   923  C CD    . LYS    A  1  119 ? -21.051 -15.473 12.631  1.00 86.41 119 A  1 
ATOM   924  C CE    . LYS    A  1  119 ? -20.082 -14.368 12.233  1.00 84.88 119 A  1 
ATOM   925  N NZ    . LYS    A  1  119 ? -20.529 -13.642 11.014  1.00 79.75 119 A  1 
ATOM   926  N N     . LEU    A  1  120 ? -21.671 -19.951 16.871  1.00 92.33 120 A  1 
ATOM   927  C CA    . LEU    A  1  120 ? -22.511 -21.060 17.317  1.00 92.54 120 A  1 
ATOM   928  C C     . LEU    A  1  120 ? -23.878 -20.580 17.798  1.00 91.89 120 A  1 
ATOM   929  O O     . LEU    A  1  120 ? -24.881 -21.264 17.599  1.00 89.08 120 A  1 
ATOM   930  C CB    . LEU    A  1  120 ? -21.802 -21.823 18.440  1.00 91.81 120 A  1 
ATOM   931  C CG    . LEU    A  1  120 ? -22.552 -22.989 19.092  1.00 89.90 120 A  1 
ATOM   932  C CD1   . LEU    A  1  120 ? -22.912 -24.038 18.053  1.00 81.51 120 A  1 
ATOM   933  C CD2   . LEU    A  1  120 ? -21.689 -23.603 20.185  1.00 81.77 120 A  1 
ATOM   934  N N     . ASP    A  1  121 ? -23.921 -19.431 18.413  1.00 90.85 121 A  1 
ATOM   935  C CA    . ASP    A  1  121 ? -25.179 -18.891 18.917  1.00 89.56 121 A  1 
ATOM   936  C C     . ASP    A  1  121 ? -26.219 -18.711 17.813  1.00 89.53 121 A  1 
ATOM   937  O O     . ASP    A  1  121 ? -27.409 -18.913 18.045  1.00 85.68 121 A  1 
ATOM   938  C CB    . ASP    A  1  121 ? -24.943 -17.551 19.630  1.00 87.65 121 A  1 
ATOM   939  C CG    . ASP    A  1  121 ? -24.352 -16.499 18.712  1.00 85.69 121 A  1 
ATOM   940  O OD1   . ASP    A  1  121 ? -23.193 -16.658 18.295  1.00 77.88 121 A  1 
ATOM   941  O OD2   . ASP    A  1  121 ? -25.055 -15.516 18.406  1.00 79.22 121 A  1 
ATOM   942  N N     . LEU    A  1  122 ? -25.778 -18.348 16.632  1.00 89.62 122 A  1 
ATOM   943  C CA    . LEU    A  1  122 ? -26.719 -18.150 15.533  1.00 89.35 122 A  1 
ATOM   944  C C     . LEU    A  1  122 ? -27.254 -19.478 15.010  1.00 88.73 122 A  1 
ATOM   945  O O     . LEU    A  1  122 ? -28.440 -19.593 14.703  1.00 84.63 122 A  1 
ATOM   946  C CB    . LEU    A  1  122 ? -26.071 -17.354 14.402  1.00 88.02 122 A  1 
ATOM   947  C CG    . LEU    A  1  122 ? -25.756 -15.888 14.725  1.00 85.79 122 A  1 
ATOM   948  C CD1   . LEU    A  1  122 ? -25.079 -15.222 13.538  1.00 79.98 122 A  1 
ATOM   949  C CD2   . LEU    A  1  122 ? -27.028 -15.133 15.099  1.00 79.71 122 A  1 
ATOM   950  N N     . ARG    A  1  123 ? -26.387 -20.461 14.908  1.00 87.77 123 A  1 
ATOM   951  C CA    . ARG    A  1  123 ? -26.845 -21.766 14.435  1.00 87.63 123 A  1 
ATOM   952  C C     . ARG    A  1  123 ? -27.829 -22.372 15.436  1.00 86.91 123 A  1 
ATOM   953  O O     . ARG    A  1  123 ? -28.762 -23.070 15.047  1.00 83.00 123 A  1 
ATOM   954  C CB    . ARG    A  1  123 ? -25.671 -22.729 14.228  1.00 86.53 123 A  1 
ATOM   955  C CG    . ARG    A  1  123 ? -26.083 -24.022 13.528  1.00 83.20 123 A  1 
ATOM   956  C CD    . ARG    A  1  123 ? -24.971 -25.048 13.513  1.00 83.64 123 A  1 
ATOM   957  N NE    . ARG    A  1  123 ? -24.676 -25.519 14.855  1.00 82.87 123 A  1 
ATOM   958  C CZ    . ARG    A  1  123 ? -23.634 -26.287 15.172  1.00 85.55 123 A  1 
ATOM   959  N NH1   . ARG    A  1  123 ? -22.778 -26.672 14.230  1.00 76.08 123 A  1 
ATOM   960  N NH2   . ARG    A  1  123 ? -23.438 -26.667 16.425  1.00 78.99 123 A  1 
ATOM   961  N N     . ASP    A  1  124 ? -27.620 -22.102 16.708  1.00 85.63 124 A  1 
ATOM   962  C CA    . ASP    A  1  124 ? -28.491 -22.641 17.753  1.00 84.22 124 A  1 
ATOM   963  C C     . ASP    A  1  124 ? -29.754 -21.810 17.980  1.00 83.66 124 A  1 
ATOM   964  O O     . ASP    A  1  124 ? -30.608 -22.203 18.771  1.00 78.35 124 A  1 
ATOM   965  C CB    . ASP    A  1  124 ? -27.719 -22.753 19.075  1.00 81.56 124 A  1 
ATOM   966  C CG    . ASP    A  1  124 ? -26.633 -23.815 19.044  1.00 78.25 124 A  1 
ATOM   967  O OD1   . ASP    A  1  124 ? -26.588 -24.608 18.082  1.00 71.10 124 A  1 
ATOM   968  O OD2   . ASP    A  1  124 ? -25.832 -23.864 19.998  1.00 72.04 124 A  1 
ATOM   969  N N     . ASP    A  1  125 ? -29.870 -20.698 17.295  1.00 85.28 125 A  1 
ATOM   970  C CA    . ASP    A  1  125 ? -31.027 -19.826 17.477  1.00 84.20 125 A  1 
ATOM   971  C C     . ASP    A  1  125 ? -32.166 -20.180 16.522  1.00 83.49 125 A  1 
ATOM   972  O O     . ASP    A  1  125 ? -32.039 -20.047 15.305  1.00 78.75 125 A  1 
ATOM   973  C CB    . ASP    A  1  125 ? -30.624 -18.365 17.278  1.00 80.90 125 A  1 
ATOM   974  C CG    . ASP    A  1  125 ? -31.779 -17.407 17.521  1.00 76.46 125 A  1 
ATOM   975  O OD1   . ASP    A  1  125 ? -32.373 -17.463 18.614  1.00 68.96 125 A  1 
ATOM   976  O OD2   . ASP    A  1  125 ? -32.096 -16.611 16.620  1.00 68.67 125 A  1 
ATOM   977  N N     . LYS    A  1  126 ? -33.273 -20.619 17.083  1.00 82.77 126 A  1 
ATOM   978  C CA    . LYS    A  1  126 ? -34.440 -21.002 16.294  1.00 81.29 126 A  1 
ATOM   979  C C     . LYS    A  1  126 ? -34.915 -19.863 15.399  1.00 81.42 126 A  1 
ATOM   980  O O     . LYS    A  1  126 ? -35.252 -20.079 14.233  1.00 75.01 126 A  1 
ATOM   981  C CB    . LYS    A  1  126 ? -35.568 -21.427 17.237  1.00 77.41 126 A  1 
ATOM   982  C CG    . LYS    A  1  126 ? -36.842 -21.910 16.553  1.00 70.07 126 A  1 
ATOM   983  C CD    . LYS    A  1  126 ? -36.624 -23.196 15.773  1.00 60.04 126 A  1 
ATOM   984  C CE    . LYS    A  1  126 ? -37.952 -23.870 15.436  1.00 52.03 126 A  1 
ATOM   985  N NZ    . LYS    A  1  126 ? -38.850 -23.007 14.635  1.00 43.49 126 A  1 
ATOM   986  N N     . GLY    A  1  127 ? -34.950 -18.674 15.954  1.00 80.58 127 A  1 
ATOM   987  C CA    . GLY    A  1  127 ? -35.399 -17.523 15.184  1.00 79.21 127 A  1 
ATOM   988  C C     . GLY    A  1  127 ? -34.518 -17.251 13.981  1.00 79.94 127 A  1 
ATOM   989  O O     . GLY    A  1  127 ? -35.011 -16.952 12.891  1.00 74.57 127 A  1 
ATOM   990  N N     . TYR    A  1  128 ? -33.232 -17.369 14.186  1.00 81.24 128 A  1 
ATOM   991  C CA    . TYR    A  1  128 ? -32.299 -17.131 13.088  1.00 80.54 128 A  1 
ATOM   992  C C     . TYR    A  1  128 ? -32.452 -18.206 12.012  1.00 80.13 128 A  1 
ATOM   993  O O     . TYR    A  1  128 ? -32.477 -17.903 10.817  1.00 75.64 128 A  1 
ATOM   994  C CB    . TYR    A  1  128 ? -30.863 -17.102 13.614  1.00 77.26 128 A  1 
ATOM   995  C CG    . TYR    A  1  128 ? -29.848 -16.811 12.532  1.00 74.93 128 A  1 
ATOM   996  C CD1   . TYR    A  1  128 ? -29.294 -17.838 11.779  1.00 69.26 128 A  1 
ATOM   997  C CD2   . TYR    A  1  128 ? -29.466 -15.502 12.245  1.00 69.08 128 A  1 
ATOM   998  C CE1   . TYR    A  1  128 ? -28.387 -17.571 10.763  1.00 66.00 128 A  1 
ATOM   999  C CE2   . TYR    A  1  128 ? -28.559 -15.227 11.230  1.00 65.04 128 A  1 
ATOM   1000 C CZ    . TYR    A  1  128 ? -28.023 -16.267 10.493  1.00 66.72 128 A  1 
ATOM   1001 O OH    . TYR    A  1  128 ? -27.127 -16.004 9.482   1.00 64.90 128 A  1 
ATOM   1002 N N     . LEU    A  1  129 ? -32.554 -19.441 12.441  1.00 80.86 129 A  1 
ATOM   1003 C CA    . LEU    A  1  129 ? -32.686 -20.549 11.498  1.00 80.10 129 A  1 
ATOM   1004 C C     . LEU    A  1  129 ? -33.972 -20.481 10.681  1.00 79.83 129 A  1 
ATOM   1005 O O     . LEU    A  1  129 ? -34.042 -21.039 9.587   1.00 75.89 129 A  1 
ATOM   1006 C CB    . LEU    A  1  129 ? -32.617 -21.889 12.236  1.00 76.43 129 A  1 
ATOM   1007 C CG    . LEU    A  1  129 ? -31.264 -22.246 12.853  1.00 70.31 129 A  1 
ATOM   1008 C CD1   . LEU    A  1  129 ? -31.371 -23.560 13.606  1.00 64.30 129 A  1 
ATOM   1009 C CD2   . LEU    A  1  129 ? -30.196 -22.340 11.771  1.00 64.53 129 A  1 
ATOM   1010 N N     . ALA    A  1  130 ? -34.962 -19.807 11.202  1.00 79.06 130 A  1 
ATOM   1011 C CA    . ALA    A  1  130 ? -36.224 -19.685 10.480  1.00 77.78 130 A  1 
ATOM   1012 C C     . ALA    A  1  130 ? -36.020 -18.960 9.149   1.00 77.80 130 A  1 
ATOM   1013 O O     . ALA    A  1  130 ? -36.723 -19.232 8.174   1.00 72.95 130 A  1 
ATOM   1014 C CB    . ALA    A  1  130 ? -37.244 -18.938 11.331  1.00 75.21 130 A  1 
ATOM   1015 N N     . ASP    A  1  131 ? -35.059 -18.061 9.115   1.00 81.17 131 A  1 
ATOM   1016 C CA    . ASP    A  1  131 ? -34.775 -17.303 7.896   1.00 79.34 131 A  1 
ATOM   1017 C C     . ASP    A  1  131 ? -33.465 -17.708 7.225   1.00 78.33 131 A  1 
ATOM   1018 O O     . ASP    A  1  131 ? -33.190 -17.285 6.100   1.00 72.88 131 A  1 
ATOM   1019 C CB    . ASP    A  1  131 ? -34.730 -15.805 8.207   1.00 75.66 131 A  1 
ATOM   1020 C CG    . ASP    A  1  131 ? -36.073 -15.258 8.651   1.00 69.26 131 A  1 
ATOM   1021 O OD1   . ASP    A  1  131 ? -37.111 -15.738 8.154   1.00 62.39 131 A  1 
ATOM   1022 O OD2   . ASP    A  1  131 ? -36.082 -14.334 9.487   1.00 62.44 131 A  1 
ATOM   1023 N N     . HIS    A  1  132 ? -32.673 -18.501 7.907   1.00 79.77 132 A  1 
ATOM   1024 C CA    . HIS    A  1  132 ? -31.383 -18.923 7.366   1.00 78.71 132 A  1 
ATOM   1025 C C     . HIS    A  1  132 ? -31.173 -20.412 7.627   1.00 78.32 132 A  1 
ATOM   1026 O O     . HIS    A  1  132 ? -30.861 -20.810 8.749   1.00 73.42 132 A  1 
ATOM   1027 C CB    . HIS    A  1  132 ? -30.252 -18.126 8.007   1.00 75.48 132 A  1 
ATOM   1028 C CG    . HIS    A  1  132 ? -30.446 -16.642 7.962   1.00 72.75 132 A  1 
ATOM   1029 N ND1   . HIS    A  1  132 ? -31.208 -15.964 8.885   1.00 62.39 132 A  1 
ATOM   1030 C CD2   . HIS    A  1  132 ? -29.992 -15.718 7.090   1.00 63.30 132 A  1 
ATOM   1031 C CE1   . HIS    A  1  132 ? -31.215 -14.674 8.583   1.00 62.36 132 A  1 
ATOM   1032 N NE2   . HIS    A  1  132 ? -30.482 -14.497 7.500   1.00 61.44 132 A  1 
ATOM   1033 N N     . THR    A  1  133 ? -31.335 -21.200 6.587   1.00 81.34 133 A  1 
ATOM   1034 C CA    . THR    A  1  133 ? -31.201 -22.649 6.725   1.00 79.13 133 A  1 
ATOM   1035 C C     . THR    A  1  133 ? -29.852 -23.189 6.269   1.00 79.60 133 A  1 
ATOM   1036 O O     . THR    A  1  133 ? -29.543 -24.357 6.504   1.00 73.26 133 A  1 
ATOM   1037 C CB    . THR    A  1  133 ? -32.299 -23.364 5.925   1.00 74.28 133 A  1 
ATOM   1038 O OG1   . THR    A  1  133 ? -32.177 -23.013 4.542   1.00 65.33 133 A  1 
ATOM   1039 C CG2   . THR    A  1  133 ? -33.680 -22.962 6.425   1.00 62.63 133 A  1 
ATOM   1040 N N     . ASN    A  1  134 ? -29.067 -22.360 5.628   1.00 82.74 134 A  1 
ATOM   1041 C CA    . ASN    A  1  134 ? -27.779 -22.799 5.100   1.00 82.88 134 A  1 
ATOM   1042 C C     . ASN    A  1  134 ? -26.686 -22.743 6.174   1.00 84.70 134 A  1 
ATOM   1043 O O     . ASN    A  1  134 ? -25.828 -21.863 6.159   1.00 80.24 134 A  1 
ATOM   1044 C CB    . ASN    A  1  134 ? -27.406 -21.924 3.904   1.00 77.48 134 A  1 
ATOM   1045 C CG    . ASN    A  1  134 ? -26.412 -22.590 2.983   1.00 70.75 134 A  1 
ATOM   1046 O OD1   . ASN    A  1  134 ? -25.891 -23.660 3.281   1.00 61.64 134 A  1 
ATOM   1047 N ND2   . ASN    A  1  134 ? -26.159 -21.957 1.844   1.00 62.38 134 A  1 
ATOM   1048 N N     . VAL    A  1  135 ? -26.738 -23.687 7.078   1.00 87.07 135 A  1 
ATOM   1049 C CA    . VAL    A  1  135 ? -25.775 -23.716 8.176   1.00 87.75 135 A  1 
ATOM   1050 C C     . VAL    A  1  135 ? -24.982 -25.018 8.178   1.00 88.70 135 A  1 
ATOM   1051 O O     . VAL    A  1  135 ? -25.337 -25.983 7.499   1.00 85.87 135 A  1 
ATOM   1052 C CB    . VAL    A  1  135 ? -26.472 -23.551 9.541   1.00 85.28 135 A  1 
ATOM   1053 C CG1   . VAL    A  1  135 ? -27.244 -22.236 9.575   1.00 75.08 135 A  1 
ATOM   1054 C CG2   . VAL    A  1  135 ? -27.407 -24.720 9.814   1.00 75.59 135 A  1 
ATOM   1055 N N     . ILE    A  1  136 ? -23.913 -25.015 8.944   1.00 90.13 136 A  1 
ATOM   1056 C CA    . ILE    A  1  136 ? -23.027 -26.172 9.025   1.00 90.92 136 A  1 
ATOM   1057 C C     . ILE    A  1  136 ? -23.272 -26.924 10.327  1.00 91.11 136 A  1 
ATOM   1058 O O     . ILE    A  1  136 ? -23.252 -26.331 11.405  1.00 88.91 136 A  1 
ATOM   1059 C CB    . ILE    A  1  136 ? -21.552 -25.733 8.965   1.00 90.00 136 A  1 
ATOM   1060 C CG1   . ILE    A  1  136 ? -21.305 -24.872 7.719   1.00 84.39 136 A  1 
ATOM   1061 C CG2   . ILE    A  1  136 ? -20.628 -26.945 8.986   1.00 82.61 136 A  1 
ATOM   1062 C CD1   . ILE    A  1  136 ? -21.622 -25.554 6.408   1.00 76.71 136 A  1 
ATOM   1063 N N     . THR    A  1  137 ? -23.482 -28.220 10.220  1.00 90.63 137 A  1 
ATOM   1064 C CA    . THR    A  1  137 ? -23.720 -29.035 11.409  1.00 90.42 137 A  1 
ATOM   1065 C C     . THR    A  1  137 ? -22.402 -29.431 12.058  1.00 91.10 137 A  1 
ATOM   1066 O O     . THR    A  1  137 ? -21.336 -29.344 11.447  1.00 88.81 137 A  1 
ATOM   1067 C CB    . THR    A  1  137 ? -24.473 -30.322 11.062  1.00 88.37 137 A  1 
ATOM   1068 O OG1   . THR    A  1  137 ? -23.637 -31.157 10.260  1.00 78.71 137 A  1 
ATOM   1069 C CG2   . THR    A  1  137 ? -25.765 -30.023 10.318  1.00 75.84 137 A  1 
ATOM   1070 N N     . SER    A  1  138 ? -22.490 -29.901 13.290  1.00 91.32 138 A  1 
ATOM   1071 C CA    . SER    A  1  138 ? -21.296 -30.351 14.000  1.00 91.66 138 A  1 
ATOM   1072 C C     . SER    A  1  138 ? -20.671 -31.538 13.270  1.00 92.13 138 A  1 
ATOM   1073 O O     . SER    A  1  138 ? -19.451 -31.685 13.241  1.00 89.25 138 A  1 
ATOM   1074 C CB    . SER    A  1  138 ? -21.644 -30.746 15.432  1.00 90.08 138 A  1 
ATOM   1075 O OG    . SER    A  1  138 ? -22.115 -29.626 16.158  1.00 80.28 138 A  1 
ATOM   1076 N N     . THR    A  1  139 ? -21.517 -32.360 12.688  1.00 93.13 139 A  1 
ATOM   1077 C CA    . THR    A  1  139 ? -21.030 -33.523 11.951  1.00 93.06 139 A  1 
ATOM   1078 C C     . THR    A  1  139 ? -20.214 -33.079 10.736  1.00 93.27 139 A  1 
ATOM   1079 O O     . THR    A  1  139 ? -19.159 -33.639 10.446  1.00 90.50 139 A  1 
ATOM   1080 C CB    . THR    A  1  139 ? -22.201 -34.407 11.498  1.00 91.58 139 A  1 
ATOM   1081 O OG1   . THR    A  1  139 ? -22.922 -34.858 12.649  1.00 79.74 139 A  1 
ATOM   1082 C CG2   . THR    A  1  139 ? -21.697 -35.615 10.723  1.00 74.45 139 A  1 
ATOM   1083 N N     . GLN    A  1  140 ? -20.711 -32.075 10.052  1.00 93.06 140 A  1 
ATOM   1084 C CA    . GLN    A  1  140 ? -19.995 -31.559 8.889   1.00 92.91 140 A  1 
ATOM   1085 C C     . GLN    A  1  140 ? -18.661 -30.949 9.313   1.00 93.36 140 A  1 
ATOM   1086 O O     . GLN    A  1  140 ? -17.655 -31.084 8.614   1.00 91.30 140 A  1 
ATOM   1087 C CB    . GLN    A  1  140 ? -20.838 -30.508 8.167   1.00 91.54 140 A  1 
ATOM   1088 C CG    . GLN    A  1  140 ? -22.029 -31.083 7.419   1.00 87.79 140 A  1 
ATOM   1089 C CD    . GLN    A  1  140 ? -22.883 -30.005 6.788   1.00 85.63 140 A  1 
ATOM   1090 O OE1   . GLN    A  1  140 ? -23.407 -29.138 7.487   1.00 76.61 140 A  1 
ATOM   1091 N NE2   . GLN    A  1  140 ? -23.031 -30.043 5.475   1.00 74.77 140 A  1 
ATOM   1092 N N     . GLY    A  1  141 ? -18.669 -30.287 10.448  1.00 92.04 141 A  1 
ATOM   1093 C CA    . GLY    A  1  141 ? -17.440 -29.693 10.953  1.00 92.09 141 A  1 
ATOM   1094 C C     . GLY    A  1  141 ? -16.409 -30.752 11.292  1.00 92.87 141 A  1 
ATOM   1095 O O     . GLY    A  1  141 ? -15.228 -30.612 10.969  1.00 90.83 141 A  1 
ATOM   1096 N N     . GLU    A  1  142 ? -16.854 -31.806 11.931  1.00 93.78 142 A  1 
ATOM   1097 C CA    . GLU    A  1  142 ? -15.942 -32.888 12.302  1.00 93.83 142 A  1 
ATOM   1098 C C     . GLU    A  1  142 ? -15.405 -33.584 11.049  1.00 94.13 142 A  1 
ATOM   1099 O O     . GLU    A  1  142 ? -14.237 -33.968 10.993  1.00 91.99 142 A  1 
ATOM   1100 C CB    . GLU    A  1  142 ? -16.657 -33.891 13.212  1.00 92.25 142 A  1 
ATOM   1101 C CG    . GLU    A  1  142 ? -15.836 -35.114 13.601  1.00 80.84 142 A  1 
ATOM   1102 C CD    . GLU    A  1  142 ? -14.551 -34.788 14.340  1.00 80.05 142 A  1 
ATOM   1103 O OE1   . GLU    A  1  142 ? -14.430 -33.679 14.896  1.00 73.26 142 A  1 
ATOM   1104 O OE2   . GLU    A  1  142 ? -13.656 -35.656 14.370  1.00 73.02 142 A  1 
ATOM   1105 N N     . GLU    A  1  143 ? -16.259 -33.726 10.055  1.00 94.22 143 A  1 
ATOM   1106 C CA    . GLU    A  1  143 ? -15.830 -34.342 8.801   1.00 94.03 143 A  1 
ATOM   1107 C C     . GLU    A  1  143 ? -14.730 -33.495 8.162   1.00 94.24 143 A  1 
ATOM   1108 O O     . GLU    A  1  143 ? -13.735 -34.024 7.658   1.00 91.71 143 A  1 
ATOM   1109 C CB    . GLU    A  1  143 ? -17.015 -34.477 7.844   1.00 92.76 143 A  1 
ATOM   1110 C CG    . GLU    A  1  143 ? -16.663 -35.128 6.512   1.00 80.10 143 A  1 
ATOM   1111 C CD    . GLU    A  1  143 ? -17.866 -35.293 5.597   1.00 72.29 143 A  1 
ATOM   1112 O OE1   . GLU    A  1  143 ? -18.980 -34.894 5.994   1.00 63.73 143 A  1 
ATOM   1113 O OE2   . GLU    A  1  143 ? -17.694 -35.823 4.481   1.00 63.90 143 A  1 
ATOM   1114 N N     . LEU    A  1  144 ? -14.919 -32.199 8.203   1.00 93.14 144 A  1 
ATOM   1115 C CA    . LEU    A  1  144 ? -13.924 -31.297 7.631   1.00 93.21 144 A  1 
ATOM   1116 C C     . LEU    A  1  144 ? -12.609 -31.397 8.401   1.00 93.35 144 A  1 
ATOM   1117 O O     . LEU    A  1  144 ? -11.531 -31.381 7.805   1.00 91.23 144 A  1 
ATOM   1118 C CB    . LEU    A  1  144 ? -14.440 -29.858 7.650   1.00 92.05 144 A  1 
ATOM   1119 C CG    . LEU    A  1  144 ? -13.514 -28.787 7.065   1.00 89.59 144 A  1 
ATOM   1120 C CD1   . LEU    A  1  144 ? -13.179 -29.093 5.613   1.00 81.05 144 A  1 
ATOM   1121 C CD2   . LEU    A  1  144 ? -14.179 -27.421 7.172   1.00 81.86 144 A  1 
ATOM   1122 N N     . ARG    A  1  145 ? -12.707 -31.504 9.720   1.00 93.16 145 A  1 
ATOM   1123 C CA    . ARG    A  1  145 ? -11.503 -31.636 10.541  1.00 93.29 145 A  1 
ATOM   1124 C C     . ARG    A  1  145 ? -10.688 -32.843 10.080  1.00 92.92 145 A  1 
ATOM   1125 O O     . ARG    A  1  145 ? -9.469  -32.765 9.946   1.00 91.04 145 A  1 
ATOM   1126 C CB    . ARG    A  1  145 ? -11.856 -31.814 12.018  1.00 92.53 145 A  1 
ATOM   1127 C CG    . ARG    A  1  145 ? -10.625 -31.922 12.909  1.00 88.46 145 A  1 
ATOM   1128 C CD    . ARG    A  1  145 ? -10.917 -32.506 14.272  1.00 87.31 145 A  1 
ATOM   1129 N NE    . ARG    A  1  145 ? -11.325 -33.904 14.199  1.00 83.34 145 A  1 
ATOM   1130 C CZ    . ARG    A  1  145 ? -10.506 -34.926 13.952  1.00 81.20 145 A  1 
ATOM   1131 N NH1   . ARG    A  1  145 ? -9.207  -34.719 13.755  1.00 70.67 145 A  1 
ATOM   1132 N NH2   . ARG    A  1  145 ? -10.980 -36.159 13.905  1.00 74.58 145 A  1 
ATOM   1133 N N     . LYS    A  1  146 ? -11.380 -33.938 9.853   1.00 93.12 146 A  1 
ATOM   1134 C CA    . LYS    A  1  146 ? -10.698 -35.153 9.417   1.00 92.94 146 A  1 
ATOM   1135 C C     . LYS    A  1  146 ? -10.080 -34.974 8.031   1.00 92.12 146 A  1 
ATOM   1136 O O     . LYS    A  1  146 ? -8.966  -35.432 7.783   1.00 89.57 146 A  1 
ATOM   1137 C CB    . LYS    A  1  146 ? -11.673 -36.328 9.408   1.00 92.17 146 A  1 
ATOM   1138 C CG    . LYS    A  1  146 ? -12.162 -36.730 10.792  1.00 84.42 146 A  1 
ATOM   1139 C CD    . LYS    A  1  146 ? -13.165 -37.867 10.720  1.00 81.81 146 A  1 
ATOM   1140 C CE    . LYS    A  1  146 ? -13.669 -38.247 12.104  1.00 72.10 146 A  1 
ATOM   1141 N NZ    . LYS    A  1  146 ? -14.692 -39.328 12.049  1.00 63.41 146 A  1 
ATOM   1142 N N     . GLN    A  1  147 ? -10.806 -34.308 7.164   1.00 93.40 147 A  1 
ATOM   1143 C CA    . GLN    A  1  147 ? -10.319 -34.098 5.803   1.00 92.90 147 A  1 
ATOM   1144 C C     . GLN    A  1  147 ? -9.044  -33.262 5.762   1.00 92.60 147 A  1 
ATOM   1145 O O     . GLN    A  1  147 ? -8.139  -33.544 4.976   1.00 89.28 147 A  1 
ATOM   1146 C CB    . GLN    A  1  147 ? -11.392 -33.420 4.951   1.00 91.35 147 A  1 
ATOM   1147 C CG    . GLN    A  1  147 ? -12.588 -34.306 4.645   1.00 81.90 147 A  1 
ATOM   1148 C CD    . GLN    A  1  147 ? -13.680 -33.573 3.889   1.00 79.42 147 A  1 
ATOM   1149 O OE1   . GLN    A  1  147 ? -13.680 -32.347 3.807   1.00 71.00 147 A  1 
ATOM   1150 N NE2   . GLN    A  1  147 ? -14.626 -34.324 3.338   1.00 68.80 147 A  1 
ATOM   1151 N N     . ILE    A  1  148 ? -8.973  -32.262 6.593   1.00 91.89 148 A  1 
ATOM   1152 C CA    . ILE    A  1  148 ? -7.803  -31.382 6.573   1.00 91.08 148 A  1 
ATOM   1153 C C     . ILE    A  1  148 ? -6.719  -31.794 7.566   1.00 90.57 148 A  1 
ATOM   1154 O O     . ILE    A  1  148 ? -5.636  -31.203 7.584   1.00 87.17 148 A  1 
ATOM   1155 C CB    . ILE    A  1  148 ? -8.195  -29.912 6.832   1.00 89.93 148 A  1 
ATOM   1156 C CG1   . ILE    A  1  148 ? -8.665  -29.721 8.275   1.00 82.15 148 A  1 
ATOM   1157 C CG2   . ILE    A  1  148 ? -9.270  -29.472 5.841   1.00 80.59 148 A  1 
ATOM   1158 C CD1   . ILE    A  1  148 ? -8.931  -28.271 8.650   1.00 79.58 148 A  1 
ATOM   1159 N N     . GLY    A  1  149 ? -7.013  -32.779 8.380   1.00 90.23 149 A  1 
ATOM   1160 C CA    . GLY    A  1  149 ? -6.032  -33.239 9.350   1.00 89.69 149 A  1 
ATOM   1161 C C     . GLY    A  1  149 ? -5.817  -32.292 10.519  1.00 90.31 149 A  1 
ATOM   1162 O O     . GLY    A  1  149 ? -4.744  -32.273 11.115  1.00 87.21 149 A  1 
ATOM   1163 N N     . ALA    A  1  150 ? -6.830  -31.521 10.847  1.00 90.02 150 A  1 
ATOM   1164 C CA    . ALA    A  1  150 ? -6.713  -30.586 11.964  1.00 91.00 150 A  1 
ATOM   1165 C C     . ALA    A  1  150 ? -6.600  -31.357 13.279  1.00 91.10 150 A  1 
ATOM   1166 O O     . ALA    A  1  150 ? -7.207  -32.415 13.443  1.00 88.98 150 A  1 
ATOM   1167 C CB    . ALA    A  1  150 ? -7.915  -29.655 12.006  1.00 90.55 150 A  1 
ATOM   1168 N N     . ALA    A  1  151 ? -5.827  -30.805 14.201  1.00 91.12 151 A  1 
ATOM   1169 C CA    . ALA    A  1  151 ? -5.623  -31.453 15.491  1.00 90.90 151 A  1 
ATOM   1170 C C     . ALA    A  1  151 ? -6.896  -31.491 16.334  1.00 91.19 151 A  1 
ATOM   1171 O O     . ALA    A  1  151 ? -7.057  -32.373 17.179  1.00 88.63 151 A  1 
ATOM   1172 C CB    . ALA    A  1  151 ? -4.515  -30.742 16.257  1.00 89.48 151 A  1 
ATOM   1173 N N     . ALA    A  1  152 ? -7.777  -30.542 16.110  1.00 92.07 152 A  1 
ATOM   1174 C CA    . ALA    A  1  152 ? -9.017  -30.486 16.876  1.00 92.06 152 A  1 
ATOM   1175 C C     . ALA    A  1  152 ? -10.063 -29.660 16.152  1.00 92.42 152 A  1 
ATOM   1176 O O     . ALA    A  1  152 ? -9.733  -28.872 15.263  1.00 90.47 152 A  1 
ATOM   1177 C CB    . ALA    A  1  152 ? -8.757  -29.888 18.253  1.00 90.74 152 A  1 
ATOM   1178 N N     . TYR    A  1  153 ? -11.305 -29.855 16.550  1.00 92.71 153 A  1 
ATOM   1179 C CA    . TYR    A  1  153 ? -12.418 -29.088 16.002  1.00 93.30 153 A  1 
ATOM   1180 C C     . TYR    A  1  153 ? -13.254 -28.606 17.178  1.00 93.43 153 A  1 
ATOM   1181 O O     . TYR    A  1  153 ? -13.658 -29.405 18.022  1.00 91.46 153 A  1 
ATOM   1182 C CB    . TYR    A  1  153 ? -13.290 -29.939 15.076  1.00 92.52 153 A  1 
ATOM   1183 C CG    . TYR    A  1  153 ? -14.578 -29.245 14.670  1.00 92.11 153 A  1 
ATOM   1184 C CD1   . TYR    A  1  153 ? -14.550 -28.030 13.992  1.00 86.82 153 A  1 
ATOM   1185 C CD2   . TYR    A  1  153 ? -15.821 -29.790 14.982  1.00 87.30 153 A  1 
ATOM   1186 C CE1   . TYR    A  1  153 ? -15.722 -27.375 13.637  1.00 86.55 153 A  1 
ATOM   1187 C CE2   . TYR    A  1  153 ? -17.003 -29.144 14.627  1.00 85.68 153 A  1 
ATOM   1188 C CZ    . TYR    A  1  153 ? -16.948 -27.933 13.955  1.00 89.70 153 A  1 
ATOM   1189 O OH    . TYR    A  1  153 ? -18.108 -27.280 13.604  1.00 88.67 153 A  1 
ATOM   1190 N N     . ILE    A  1  154 ? -13.497 -27.320 17.217  1.00 94.13 154 A  1 
ATOM   1191 C CA    . ILE    A  1  154 ? -14.270 -26.726 18.303  1.00 94.32 154 A  1 
ATOM   1192 C C     . ILE    A  1  154 ? -15.276 -25.743 17.729  1.00 94.31 154 A  1 
ATOM   1193 O O     . ILE    A  1  154 ? -14.972 -25.015 16.787  1.00 91.57 154 A  1 
ATOM   1194 C CB    . ILE    A  1  154 ? -13.353 -25.977 19.293  1.00 92.66 154 A  1 
ATOM   1195 C CG1   . ILE    A  1  154 ? -12.305 -26.931 19.870  1.00 78.39 154 A  1 
ATOM   1196 C CG2   . ILE    A  1  154 ? -14.170 -25.342 20.415  1.00 77.93 154 A  1 
ATOM   1197 C CD1   . ILE    A  1  154 ? -11.227 -26.244 20.668  1.00 75.27 154 A  1 
ATOM   1198 N N     . GLU    A  1  155 ? -16.465 -25.729 18.307  1.00 93.68 155 A  1 
ATOM   1199 C CA    . GLU    A  1  155 ? -17.492 -24.781 17.894  1.00 93.69 155 A  1 
ATOM   1200 C C     . GLU    A  1  155 ? -17.628 -23.762 19.014  1.00 93.66 155 A  1 
ATOM   1201 O O     . GLU    A  1  155 ? -17.699 -24.136 20.183  1.00 91.22 155 A  1 
ATOM   1202 C CB    . GLU    A  1  155 ? -18.821 -25.492 17.646  1.00 91.98 155 A  1 
ATOM   1203 C CG    . GLU    A  1  155 ? -18.748 -26.500 16.511  1.00 89.00 155 A  1 
ATOM   1204 C CD    . GLU    A  1  155 ? -20.076 -27.176 16.215  1.00 89.95 155 A  1 
ATOM   1205 O OE1   . GLU    A  1  155 ? -20.928 -27.249 17.123  1.00 83.99 155 A  1 
ATOM   1206 O OE2   . GLU    A  1  155 ? -20.260 -27.646 15.073  1.00 84.99 155 A  1 
ATOM   1207 N N     . CYS    A  1  156 ? -17.656 -22.505 18.658  1.00 92.99 156 A  1 
ATOM   1208 C CA    . CYS    A  1  156 ? -17.737 -21.475 19.685  1.00 92.68 156 A  1 
ATOM   1209 C C     . CYS    A  1  156 ? -18.619 -20.305 19.277  1.00 92.72 156 A  1 
ATOM   1210 O O     . CYS    A  1  156 ? -18.999 -20.163 18.114  1.00 90.46 156 A  1 
ATOM   1211 C CB    . CYS    A  1  156 ? -16.340 -20.948 20.017  1.00 90.82 156 A  1 
ATOM   1212 S SG    . CYS    A  1  156 ? -15.612 -19.920 18.723  1.00 86.88 156 A  1 
ATOM   1213 N N     . SER    A  1  157 ? -18.927 -19.489 20.257  1.00 93.16 157 A  1 
ATOM   1214 C CA    . SER    A  1  157 ? -19.699 -18.278 20.033  1.00 93.18 157 A  1 
ATOM   1215 C C     . SER    A  1  157 ? -19.047 -17.152 20.815  1.00 92.93 157 A  1 
ATOM   1216 O O     . SER    A  1  157 ? -18.951 -17.221 22.039  1.00 90.10 157 A  1 
ATOM   1217 C CB    . SER    A  1  157 ? -21.138 -18.441 20.508  1.00 92.07 157 A  1 
ATOM   1218 O OG    . SER    A  1  157 ? -21.798 -17.178 20.506  1.00 84.67 157 A  1 
ATOM   1219 N N     . SER    A  1  158 ? -18.614 -16.137 20.117  1.00 92.48 158 A  1 
ATOM   1220 C CA    . SER    A  1  158 ? -18.023 -14.987 20.789  1.00 92.04 158 A  1 
ATOM   1221 C C     . SER    A  1  158 ? -19.107 -14.194 21.509  1.00 91.72 158 A  1 
ATOM   1222 O O     . SER    A  1  158 ? -18.860 -13.618 22.565  1.00 88.97 158 A  1 
ATOM   1223 C CB    . SER    A  1  158 ? -17.308 -14.089 19.783  1.00 91.04 158 A  1 
ATOM   1224 O OG    . SER    A  1  158 ? -16.225 -14.774 19.186  1.00 83.15 158 A  1 
ATOM   1225 N N     . LYS    A  1  159 ? -20.289 -14.178 20.937  1.00 91.55 159 A  1 
ATOM   1226 C CA    . LYS    A  1  159 ? -21.389 -13.430 21.531  1.00 91.30 159 A  1 
ATOM   1227 C C     . LYS    A  1  159 ? -21.763 -13.954 22.914  1.00 91.09 159 A  1 
ATOM   1228 O O     . LYS    A  1  159 ? -22.001 -13.168 23.836  1.00 88.27 159 A  1 
ATOM   1229 C CB    . LYS    A  1  159 ? -22.607 -13.469 20.613  1.00 89.87 159 A  1 
ATOM   1230 C CG    . LYS    A  1  159 ? -23.746 -12.579 21.083  1.00 86.61 159 A  1 
ATOM   1231 C CD    . LYS    A  1  159 ? -24.895 -12.580 20.093  1.00 82.22 159 A  1 
ATOM   1232 C CE    . LYS    A  1  159 ? -26.013 -11.664 20.556  1.00 76.82 159 A  1 
ATOM   1233 N NZ    . LYS    A  1  159 ? -27.152 -11.653 19.600  1.00 69.21 159 A  1 
ATOM   1234 N N     . THR    A  1  160 ? -21.801 -15.260 23.058  1.00 91.66 160 A  1 
ATOM   1235 C CA    . THR    A  1  160 ? -22.141 -15.867 24.347  1.00 90.91 160 A  1 
ATOM   1236 C C     . THR    A  1  160 ? -20.899 -16.285 25.131  1.00 90.87 160 A  1 
ATOM   1237 O O     . THR    A  1  160 ? -21.009 -16.701 26.284  1.00 86.46 160 A  1 
ATOM   1238 C CB    . THR    A  1  160 ? -23.020 -17.113 24.163  1.00 89.23 160 A  1 
ATOM   1239 O OG1   . THR    A  1  160 ? -22.258 -18.144 23.526  1.00 78.67 160 A  1 
ATOM   1240 C CG2   . THR    A  1  160 ? -24.252 -16.800 23.327  1.00 76.38 160 A  1 
ATOM   1241 N N     . GLN    A  1  161 ? -19.750 -16.189 24.492  1.00 91.86 161 A  1 
ATOM   1242 C CA    . GLN    A  1  161 ? -18.470 -16.585 25.079  1.00 91.90 161 A  1 
ATOM   1243 C C     . GLN    A  1  161 ? -18.328 -18.102 25.209  1.00 92.46 161 A  1 
ATOM   1244 O O     . GLN    A  1  161 ? -17.367 -18.592 25.800  1.00 88.86 161 A  1 
ATOM   1245 C CB    . GLN    A  1  161 ? -18.244 -15.913 26.440  1.00 89.43 161 A  1 
ATOM   1246 C CG    . GLN    A  1  161 ? -18.237 -14.391 26.373  1.00 81.77 161 A  1 
ATOM   1247 C CD    . GLN    A  1  161 ? -17.947 -13.747 27.715  1.00 75.65 161 A  1 
ATOM   1248 O OE1   . GLN    A  1  161 ? -17.251 -14.315 28.550  1.00 67.72 161 A  1 
ATOM   1249 N NE2   . GLN    A  1  161 ? -18.475 -12.549 27.926  1.00 64.70 161 A  1 
ATOM   1250 N N     . GLN    A  1  162 ? -19.265 -18.833 24.655  1.00 92.25 162 A  1 
ATOM   1251 C CA    . GLN    A  1  162 ? -19.228 -20.287 24.733  1.00 92.42 162 A  1 
ATOM   1252 C C     . GLN    A  1  162 ? -18.035 -20.858 23.969  1.00 92.70 162 A  1 
ATOM   1253 O O     . GLN    A  1  162 ? -17.865 -20.599 22.782  1.00 89.59 162 A  1 
ATOM   1254 C CB    . GLN    A  1  162 ? -20.523 -20.880 24.180  1.00 90.79 162 A  1 
ATOM   1255 C CG    . GLN    A  1  162 ? -20.588 -22.400 24.270  1.00 82.68 162 A  1 
ATOM   1256 C CD    . GLN    A  1  162 ? -21.904 -22.962 23.762  1.00 78.91 162 A  1 
ATOM   1257 O OE1   . GLN    A  1  162 ? -22.772 -22.226 23.292  1.00 71.14 162 A  1 
ATOM   1258 N NE2   . GLN    A  1  162 ? -22.063 -24.275 23.850  1.00 67.71 162 A  1 
ATOM   1259 N N     . ASN    A  1  163 ? -17.234 -21.631 24.677  1.00 90.86 163 A  1 
ATOM   1260 C CA    . ASN    A  1  163 ? -16.068 -22.316 24.118  1.00 91.73 163 A  1 
ATOM   1261 C C     . ASN    A  1  163 ? -14.942 -21.435 23.581  1.00 92.07 163 A  1 
ATOM   1262 O O     . ASN    A  1  163 ? -13.991 -21.952 22.998  1.00 87.92 163 A  1 
ATOM   1263 C CB    . ASN    A  1  163 ? -16.482 -23.312 23.023  1.00 89.93 163 A  1 
ATOM   1264 C CG    . ASN    A  1  163 ? -17.143 -24.551 23.588  1.00 89.31 163 A  1 
ATOM   1265 O OD1   . ASN    A  1  163 ? -16.922 -24.915 24.737  1.00 79.32 163 A  1 
ATOM   1266 N ND2   . ASN    A  1  163 ? -17.953 -25.212 22.768  1.00 79.30 163 A  1 
ATOM   1267 N N     . VAL    A  1  164 ? -15.033 -20.145 23.793  1.00 92.05 164 A  1 
ATOM   1268 C CA    . VAL    A  1  164 ? -13.962 -19.280 23.292  1.00 92.04 164 A  1 
ATOM   1269 C C     . VAL    A  1  164 ? -12.657 -19.599 24.018  1.00 91.69 164 A  1 
ATOM   1270 O O     . VAL    A  1  164 ? -11.604 -19.734 23.397  1.00 89.37 164 A  1 
ATOM   1271 C CB    . VAL    A  1  164 ? -14.323 -17.793 23.439  1.00 90.99 164 A  1 
ATOM   1272 C CG1   . VAL    A  1  164 ? -13.120 -16.913 23.116  1.00 81.60 164 A  1 
ATOM   1273 C CG2   . VAL    A  1  164 ? -15.476 -17.451 22.504  1.00 81.80 164 A  1 
ATOM   1274 N N     . LYS    A  1  165 ? -12.730 -19.727 25.324  1.00 91.73 165 A  1 
ATOM   1275 C CA    . LYS    A  1  165 ? -11.529 -20.059 26.082  1.00 91.06 165 A  1 
ATOM   1276 C C     . LYS    A  1  165 ? -11.036 -21.450 25.680  1.00 91.32 165 A  1 
ATOM   1277 O O     . LYS    A  1  165 ? -9.832  -21.690 25.600  1.00 89.54 165 A  1 
ATOM   1278 C CB    . LYS    A  1  165 ? -11.808 -20.013 27.584  1.00 89.17 165 A  1 
ATOM   1279 C CG    . LYS    A  1  165 ? -10.577 -20.259 28.447  1.00 82.29 165 A  1 
ATOM   1280 C CD    . LYS    A  1  165 ? -10.897 -20.127 29.928  1.00 76.82 165 A  1 
ATOM   1281 C CE    . LYS    A  1  165 ? -9.646  -20.263 30.786  1.00 68.00 165 A  1 
ATOM   1282 N NZ    . LYS    A  1  165 ? -9.031  -21.614 30.692  1.00 60.36 165 A  1 
ATOM   1283 N N     . ALA    A  1  166 ? -11.969 -22.352 25.425  1.00 91.98 166 A  1 
ATOM   1284 C CA    . ALA    A  1  166 ? -11.612 -23.713 25.030  1.00 92.31 166 A  1 
ATOM   1285 C C     . ALA    A  1  166 ? -10.810 -23.732 23.730  1.00 92.71 166 A  1 
ATOM   1286 O O     . ALA    A  1  166 ? -9.926  -24.571 23.558  1.00 89.99 166 A  1 
ATOM   1287 C CB    . ALA    A  1  166 ? -12.869 -24.562 24.881  1.00 91.24 166 A  1 
ATOM   1288 N N     . VAL    A  1  167 ? -11.131 -22.825 22.834  1.00 91.94 167 A  1 
ATOM   1289 C CA    . VAL    A  1  167 ? -10.411 -22.758 21.561  1.00 92.06 167 A  1 
ATOM   1290 C C     . VAL    A  1  167 ? -8.919  -22.548 21.801  1.00 91.77 167 A  1 
ATOM   1291 O O     . VAL    A  1  167 ? -8.077  -23.286 21.279  1.00 89.81 167 A  1 
ATOM   1292 C CB    . VAL    A  1  167 ? -10.946 -21.617 20.673  1.00 91.47 167 A  1 
ATOM   1293 C CG1   . VAL    A  1  167 ? -10.015 -21.373 19.485  1.00 82.00 167 A  1 
ATOM   1294 C CG2   . VAL    A  1  167 ? -12.347 -21.951 20.179  1.00 83.13 167 A  1 
ATOM   1295 N N     . PHE    A  1  168 ? -8.604  -21.550 22.586  1.00 91.44 168 A  1 
ATOM   1296 C CA    . PHE    A  1  168 ? -7.203  -21.228 22.813  1.00 90.83 168 A  1 
ATOM   1297 C C     . PHE    A  1  168 ? -6.510  -22.158 23.796  1.00 90.72 168 A  1 
ATOM   1298 O O     . PHE    A  1  168 ? -5.314  -22.411 23.663  1.00 87.51 168 A  1 
ATOM   1299 C CB    . PHE    A  1  168 ? -7.082  -19.759 23.196  1.00 89.74 168 A  1 
ATOM   1300 C CG    . PHE    A  1  168 ? -7.552  -18.854 22.090  1.00 89.23 168 A  1 
ATOM   1301 C CD1   . PHE    A  1  168 ? -6.740  -18.609 20.991  1.00 82.41 168 A  1 
ATOM   1302 C CD2   . PHE    A  1  168 ? -8.839  -18.334 22.097  1.00 82.59 168 A  1 
ATOM   1303 C CE1   . PHE    A  1  168 ? -7.200  -17.850 19.926  1.00 81.58 168 A  1 
ATOM   1304 C CE2   . PHE    A  1  168 ? -9.304  -17.576 21.029  1.00 80.08 168 A  1 
ATOM   1305 C CZ    . PHE    A  1  168 ? -8.483  -17.334 19.943  1.00 84.84 168 A  1 
ATOM   1306 N N     . ASP    A  1  169 ? -7.254  -22.675 24.744  1.00 90.69 169 A  1 
ATOM   1307 C CA    . ASP    A  1  169 ? -6.658  -23.653 25.652  1.00 90.15 169 A  1 
ATOM   1308 C C     . ASP    A  1  169 ? -6.260  -24.886 24.840  1.00 90.53 169 A  1 
ATOM   1309 O O     . ASP    A  1  169 ? -5.192  -25.462 25.048  1.00 88.47 169 A  1 
ATOM   1310 C CB    . ASP    A  1  169 ? -7.643  -24.065 26.746  1.00 88.40 169 A  1 
ATOM   1311 C CG    . ASP    A  1  169 ? -7.788  -23.023 27.846  1.00 84.76 169 A  1 
ATOM   1312 O OD1   . ASP    A  1  169 ? -6.989  -22.069 27.891  1.00 77.59 169 A  1 
ATOM   1313 O OD2   . ASP    A  1  169 ? -8.704  -23.181 28.678  1.00 77.81 169 A  1 
ATOM   1314 N N     . THR    A  1  170 ? -7.121  -25.269 23.917  1.00 90.85 170 A  1 
ATOM   1315 C CA    . THR    A  1  170 ? -6.838  -26.426 23.074  1.00 91.15 170 A  1 
ATOM   1316 C C     . THR    A  1  170 ? -5.638  -26.149 22.173  1.00 91.39 170 A  1 
ATOM   1317 O O     . THR    A  1  170 ? -4.773  -27.009 21.997  1.00 89.31 170 A  1 
ATOM   1318 C CB    . THR    A  1  170 ? -8.062  -26.791 22.217  1.00 90.48 170 A  1 
ATOM   1319 O OG1   . THR    A  1  170 ? -9.146  -27.151 23.078  1.00 79.22 170 A  1 
ATOM   1320 C CG2   . THR    A  1  170 ? -7.754  -27.958 21.290  1.00 77.04 170 A  1 
ATOM   1321 N N     . ALA    A  1  171 ? -5.597  -24.962 21.625  1.00 91.20 171 A  1 
ATOM   1322 C CA    . ALA    A  1  171 ? -4.474  -24.597 20.766  1.00 91.12 171 A  1 
ATOM   1323 C C     . ALA    A  1  171 ? -3.162  -24.697 21.544  1.00 90.97 171 A  1 
ATOM   1324 O O     . ALA    A  1  171 ? -2.172  -25.239 21.046  1.00 88.95 171 A  1 
ATOM   1325 C CB    . ALA    A  1  171 ? -4.661  -23.185 20.228  1.00 90.67 171 A  1 
ATOM   1326 N N     . ILE    A  1  172 ? -3.167  -24.190 22.758  1.00 90.51 172 A  1 
ATOM   1327 C CA    . ILE    A  1  172 ? -1.963  -24.243 23.585  1.00 89.86 172 A  1 
ATOM   1328 C C     . ILE    A  1  172 ? -1.584  -25.692 23.879  1.00 89.26 172 A  1 
ATOM   1329 O O     . ILE    A  1  172 ? -0.411  -26.065 23.796  1.00 87.19 172 A  1 
ATOM   1330 C CB    . ILE    A  1  172 ? -2.169  -23.464 24.899  1.00 88.79 172 A  1 
ATOM   1331 C CG1   . ILE    A  1  172 ? -2.291  -21.965 24.597  1.00 82.68 172 A  1 
ATOM   1332 C CG2   . ILE    A  1  172 ? -1.015  -23.725 25.861  1.00 82.00 172 A  1 
ATOM   1333 C CD1   . ILE    A  1  172 ? -2.776  -21.133 25.766  1.00 78.37 172 A  1 
ATOM   1334 N N     . LYS    A  1  173 ? -2.564  -26.503 24.206  1.00 89.59 173 A  1 
ATOM   1335 C CA    . LYS    A  1  173 ? -2.295  -27.907 24.512  1.00 89.02 173 A  1 
ATOM   1336 C C     . LYS    A  1  173 ? -1.694  -28.639 23.316  1.00 88.72 173 A  1 
ATOM   1337 O O     . LYS    A  1  173 ? -0.804  -29.472 23.477  1.00 86.15 173 A  1 
ATOM   1338 C CB    . LYS    A  1  173 ? -3.576  -28.612 24.961  1.00 87.85 173 A  1 
ATOM   1339 C CG    . LYS    A  1  173 ? -4.075  -28.169 26.327  1.00 81.74 173 A  1 
ATOM   1340 C CD    . LYS    A  1  173 ? -5.368  -28.870 26.703  1.00 77.13 173 A  1 
ATOM   1341 C CE    . LYS    A  1  173 ? -5.886  -28.385 28.047  1.00 69.51 173 A  1 
ATOM   1342 N NZ    . LYS    A  1  173 ? -7.173  -29.034 28.422  1.00 62.35 173 A  1 
ATOM   1343 N N     . VAL    A  1  174 ? -2.191  -28.329 22.142  1.00 89.20 174 A  1 
ATOM   1344 C CA    . VAL    A  1  174 ? -1.669  -28.972 20.937  1.00 88.94 174 A  1 
ATOM   1345 C C     . VAL    A  1  174 ? -0.191  -28.629 20.762  1.00 88.37 174 A  1 
ATOM   1346 O O     . VAL    A  1  174 ? 0.619   -29.489 20.405  1.00 85.76 174 A  1 
ATOM   1347 C CB    . VAL    A  1  174 ? -2.468  -28.547 19.689  1.00 88.70 174 A  1 
ATOM   1348 C CG1   . VAL    A  1  174 ? -1.772  -29.016 18.414  1.00 80.50 174 A  1 
ATOM   1349 C CG2   . VAL    A  1  174 ? -3.876  -29.123 19.748  1.00 81.14 174 A  1 
ATOM   1350 N N     . VAL    A  1  175 ? 0.145   -27.389 21.024  1.00 88.79 175 A  1 
ATOM   1351 C CA    . VAL    A  1  175 ? 1.539   -26.962 20.882  1.00 87.75 175 A  1 
ATOM   1352 C C     . VAL    A  1  175 ? 2.419   -27.553 21.979  1.00 86.04 175 A  1 
ATOM   1353 O O     . VAL    A  1  175 ? 3.542   -27.990 21.718  1.00 81.91 175 A  1 
ATOM   1354 C CB    . VAL    A  1  175 ? 1.655   -25.428 20.905  1.00 87.26 175 A  1 
ATOM   1355 C CG1   . VAL    A  1  175 ? 3.123   -25.004 20.898  1.00 78.70 175 A  1 
ATOM   1356 C CG2   . VAL    A  1  175 ? 0.936   -24.835 19.708  1.00 80.18 175 A  1 
ATOM   1357 N N     . LEU    A  1  176 ? 1.916   -27.554 23.193  1.00 87.01 176 A  1 
ATOM   1358 C CA    . LEU    A  1  176 ? 2.699   -28.057 24.320  1.00 84.84 176 A  1 
ATOM   1359 C C     . LEU    A  1  176 ? 2.961   -29.557 24.254  1.00 81.83 176 A  1 
ATOM   1360 O O     . LEU    A  1  176 ? 3.942   -30.032 24.832  1.00 74.98 176 A  1 
ATOM   1361 C CB    . LEU    A  1  176 ? 2.006   -27.727 25.641  1.00 83.13 176 A  1 
ATOM   1362 C CG    . LEU    A  1  176 ? 1.952   -26.250 26.033  1.00 80.17 176 A  1 
ATOM   1363 C CD1   . LEU    A  1  176 ? 1.145   -26.081 27.308  1.00 74.32 176 A  1 
ATOM   1364 C CD2   . LEU    A  1  176 ? 3.359   -25.697 26.216  1.00 74.46 176 A  1 
ATOM   1365 N N     . GLN    A  1  177 ? 2.085   -30.273 23.589  1.00 79.99 177 A  1 
ATOM   1366 C CA    . GLN    A  1  177 ? 2.230   -31.725 23.467  1.00 76.43 177 A  1 
ATOM   1367 C C     . GLN    A  1  177 ? 2.409   -32.364 24.846  1.00 75.30 177 A  1 
ATOM   1368 O O     . GLN    A  1  177 ? 3.485   -32.892 25.165  1.00 66.80 177 A  1 
ATOM   1369 C CB    . GLN    A  1  177 ? 3.418   -32.071 22.564  1.00 69.79 177 A  1 
ATOM   1370 C CG    . GLN    A  1  177 ? 3.304   -31.502 21.163  1.00 60.01 177 A  1 
ATOM   1371 C CD    . GLN    A  1  177 ? 4.482   -31.865 20.279  1.00 55.09 177 A  1 
ATOM   1372 O OE1   . GLN    A  1  177 ? 5.380   -32.597 20.685  1.00 49.87 177 A  1 
ATOM   1373 N NE2   . GLN    A  1  177 ? 4.485   -31.356 19.051  1.00 46.91 177 A  1 
ATOM   1374 N N     . PRO    A  1  178 ? 1.379   -32.324 25.667  1.00 68.41 178 A  1 
ATOM   1375 C CA    . PRO    A  1  178 ? 1.418   -32.878 27.028  1.00 64.92 178 A  1 
ATOM   1376 C C     . PRO    A  1  178 ? 2.075   -34.246 27.187  1.00 64.03 178 A  1 
ATOM   1377 O O     . PRO    A  1  178 ? 2.761   -34.475 28.185  1.00 58.19 178 A  1 
ATOM   1378 C CB    . PRO    A  1  178 ? -0.057  -32.914 27.427  1.00 58.79 178 A  1 
ATOM   1379 C CG    . PRO    A  1  178 ? -0.666  -31.816 26.634  1.00 55.67 178 A  1 
ATOM   1380 C CD    . PRO    A  1  178 ? 0.054   -31.825 25.315  1.00 58.24 178 A  1 
ATOM   1381 N N     . PRO    A  1  179 ? 1.897   -35.154 26.237  1.00 59.32 179 A  1 
ATOM   1382 C CA    . PRO    A  1  179 ? 2.523   -36.475 26.392  1.00 56.39 179 A  1 
ATOM   1383 C C     . PRO    A  1  179 ? 4.045   -36.431 26.443  1.00 55.77 179 A  1 
ATOM   1384 O O     . PRO    A  1  179 ? 4.675   -37.385 26.891  1.00 51.05 179 A  1 
ATOM   1385 C CB    . PRO    A  1  179 ? 2.041   -37.234 25.158  1.00 50.13 179 A  1 
ATOM   1386 C CG    . PRO    A  1  179 ? 0.778   -36.551 24.773  1.00 47.94 179 A  1 
ATOM   1387 C CD    . PRO    A  1  179 ? 1.030   -35.103 25.066  1.00 50.24 179 A  1 
ATOM   1388 N N     . ARG    A  1  180 ? 4.627   -35.342 25.998  1.00 51.36 180 A  1 
ATOM   1389 C CA    . ARG    A  1  180 ? 6.082   -35.214 25.991  1.00 51.35 180 A  1 
ATOM   1390 C C     . ARG    A  1  180 ? 6.556   -34.374 27.174  1.00 50.64 180 A  1 
ATOM   1391 O O     . ARG    A  1  180 ? 5.879   -33.447 27.594  1.00 47.26 180 A  1 
ATOM   1392 C CB    . ARG    A  1  180 ? 6.552   -34.560 24.697  1.00 47.53 180 A  1 
ATOM   1393 C CG    . ARG    A  1  180 ? 6.111   -35.275 23.426  1.00 43.63 180 A  1 
ATOM   1394 C CD    . ARG    A  1  180 ? 6.640   -36.674 23.368  1.00 40.96 180 A  1 
ATOM   1395 N NE    . ARG    A  1  180 ? 6.288   -37.341 22.121  1.00 37.35 180 A  1 
ATOM   1396 C CZ    . ARG    A  1  180 ? 6.458   -38.634 21.880  1.00 33.50 180 A  1 
ATOM   1397 N NH1   . ARG    A  1  180 ? 6.975   -39.425 22.809  1.00 31.93 180 A  1 
ATOM   1398 N NH2   . ARG    A  1  180 ? 6.113   -39.139 20.717  1.00 29.60 180 A  1 
ATOM   1399 N N     . ARG    A  1  181 ? 7.726   -34.717 27.673  1.00 50.02 181 A  1 
ATOM   1400 C CA    . ARG    A  1  181 ? 8.295   -33.978 28.794  1.00 50.95 181 A  1 
ATOM   1401 C C     . ARG    A  1  181 ? 8.973   -32.688 28.350  1.00 51.02 181 A  1 
ATOM   1402 O O     . ARG    A  1  181 ? 9.074   -31.742 29.122  1.00 48.20 181 A  1 
ATOM   1403 C CB    . ARG    A  1  181 ? 9.298   -34.843 29.556  1.00 46.85 181 A  1 
ATOM   1404 C CG    . ARG    A  1  181 ? 8.652   -35.766 30.574  1.00 42.80 181 A  1 
ATOM   1405 C CD    . ARG    A  1  181 ? 8.007   -34.944 31.671  1.00 40.74 181 A  1 
ATOM   1406 N NE    . ARG    A  1  181 ? 7.382   -35.767 32.691  1.00 36.51 181 A  1 
ATOM   1407 C CZ    . ARG    A  1  181 ? 6.698   -35.291 33.725  1.00 32.56 181 A  1 
ATOM   1408 N NH1   . ARG    A  1  181 ? 6.550   -33.980 33.875  1.00 31.40 181 A  1 
ATOM   1409 N NH2   . ARG    A  1  181 ? 6.163   -36.113 34.597  1.00 29.24 181 A  1 
ATOM   1410 N N     . LYS    A  1  182 ? 9.425   -32.670 27.141  1.00 49.26 182 A  1 
ATOM   1411 C CA    . LYS    A  1  182 ? 10.083  -31.488 26.613  1.00 50.62 182 A  1 
ATOM   1412 C C     . LYS    A  1  182 ? 9.490   -31.128 25.262  1.00 50.56 182 A  1 
ATOM   1413 O O     . LYS    A  1  182 ? 8.845   -31.958 24.618  1.00 48.21 182 A  1 
ATOM   1414 C CB    . LYS    A  1  182 ? 11.589  -31.716 26.484  1.00 47.68 182 A  1 
ATOM   1415 C CG    . LYS    A  1  182 ? 11.968  -32.801 25.494  1.00 44.06 182 A  1 
ATOM   1416 C CD    . LYS    A  1  182 ? 13.473  -32.986 25.440  1.00 41.31 182 A  1 
ATOM   1417 C CE    . LYS    A  1  182 ? 13.864  -34.058 24.440  1.00 36.62 182 A  1 
ATOM   1418 N NZ    . LYS    A  1  182 ? 15.335  -34.257 24.394  1.00 33.65 182 A  1 
ATOM   1419 N N     . GLU    A  1  183 ? 9.714   -29.914 24.864  1.00 51.60 183 A  1 
ATOM   1420 C CA    . GLU    A  1  183 ? 9.179   -29.470 23.586  1.00 52.04 183 A  1 
ATOM   1421 C C     . GLU    A  1  183 ? 9.824   -30.252 22.447  1.00 50.89 183 A  1 
ATOM   1422 O O     . GLU    A  1  183 ? 10.994  -30.635 22.514  1.00 48.59 183 A  1 
ATOM   1423 C CB    . GLU    A  1  183 ? 9.399   -27.967 23.394  1.00 49.35 183 A  1 
ATOM   1424 C CG    . GLU    A  1  183 ? 10.854  -27.557 23.255  1.00 45.61 183 A  1 
ATOM   1425 C CD    . GLU    A  1  183 ? 11.023  -26.063 23.008  1.00 43.20 183 A  1 
ATOM   1426 O OE1   . GLU    A  1  183 ? 10.084  -25.306 23.317  1.00 40.17 183 A  1 
ATOM   1427 O OE2   . GLU    A  1  183 ? 12.088  -25.658 22.514  1.00 40.77 183 A  1 
ATOM   1428 N N     . VAL    A  1  184 ? 9.043   -30.469 21.419  1.00 52.47 184 A  1 
ATOM   1429 C CA    . VAL    A  1  184 ? 9.529   -31.193 20.253  1.00 53.87 184 A  1 
ATOM   1430 C C     . VAL    A  1  184 ? 9.577   -30.212 19.091  1.00 53.40 184 A  1 
ATOM   1431 O O     . VAL    A  1  184 ? 8.552   -29.636 18.726  1.00 50.36 184 A  1 
ATOM   1432 C CB    . VAL    A  1  184 ? 8.600   -32.367 19.899  1.00 50.42 184 A  1 
ATOM   1433 C CG1   . VAL    A  1  184 ? 9.092   -33.070 18.642  1.00 45.23 184 A  1 
ATOM   1434 C CG2   . VAL    A  1  184 ? 8.531   -33.348 21.062  1.00 45.99 184 A  1 
ATOM   1435 N N     . PRO    A  1  185 ? 10.738  -30.016 18.521  1.00 51.90 185 A  1 
ATOM   1436 C CA    . PRO    A  1  185 ? 10.839  -29.071 17.410  1.00 52.80 185 A  1 
ATOM   1437 C C     . PRO    A  1  185 ? 10.058  -29.552 16.196  1.00 52.82 185 A  1 
ATOM   1438 O O     . PRO    A  1  185 ? 9.940   -30.753 15.956  1.00 50.25 185 A  1 
ATOM   1439 C CB    . PRO    A  1  185 ? 12.343  -29.011 17.133  1.00 50.16 185 A  1 
ATOM   1440 C CG    . PRO    A  1  185 ? 12.843  -30.332 17.591  1.00 48.87 185 A  1 
ATOM   1441 C CD    . PRO    A  1  185 ? 12.028  -30.634 18.826  1.00 51.48 185 A  1 
ATOM   1442 N N     . ARG    A  1  186 ? 9.529   -28.614 15.449  1.00 52.94 186 A  1 
ATOM   1443 C CA    . ARG    A  1  186 ? 8.769   -28.971 14.267  1.00 54.69 186 A  1 
ATOM   1444 C C     . ARG    A  1  186 ? 9.716   -29.563 13.225  1.00 53.55 186 A  1 
ATOM   1445 O O     . ARG    A  1  186 ? 10.919  -29.293 13.237  1.00 50.52 186 A  1 
ATOM   1446 C CB    . ARG    A  1  186 ? 8.046   -27.747 13.700  1.00 51.83 186 A  1 
ATOM   1447 C CG    . ARG    A  1  186 ? 8.968   -26.713 13.098  1.00 48.31 186 A  1 
ATOM   1448 C CD    . ARG    A  1  186 ? 8.195   -25.514 12.573  1.00 46.02 186 A  1 
ATOM   1449 N NE    . ARG    A  1  186 ? 7.557   -24.758 13.639  1.00 41.97 186 A  1 
ATOM   1450 C CZ    . ARG    A  1  186 ? 6.889   -23.623 13.447  1.00 39.51 186 A  1 
ATOM   1451 N NH1   . ARG    A  1  186 ? 6.768   -23.115 12.229  1.00 37.67 186 A  1 
ATOM   1452 N NH2   . ARG    A  1  186 ? 6.342   -22.998 14.475  1.00 35.51 186 A  1 
ATOM   1453 N N     . ARG    A  1  187 ? 9.169   -30.353 12.345  1.00 50.40 187 A  1 
ATOM   1454 C CA    . ARG    A  1  187 ? 9.957   -31.015 11.310  1.00 52.99 187 A  1 
ATOM   1455 C C     . ARG    A  1  187 ? 10.637  -30.024 10.369  1.00 51.59 187 A  1 
ATOM   1456 O O     . ARG    A  1  187 ? 11.712  -30.298 9.850   1.00 49.13 187 A  1 
ATOM   1457 C CB    . ARG    A  1  187 ? 9.084   -31.966 10.490  1.00 50.11 187 A  1 
ATOM   1458 C CG    . ARG    A  1  187 ? 8.606   -33.197 11.246  1.00 46.57 187 A  1 
ATOM   1459 C CD    . ARG    A  1  187 ? 7.452   -32.864 12.170  1.00 44.63 187 A  1 
ATOM   1460 N NE    . ARG    A  1  187 ? 6.270   -32.423 11.442  1.00 40.89 187 A  1 
ATOM   1461 C CZ    . ARG    A  1  187 ? 5.281   -31.703 11.957  1.00 38.27 187 A  1 
ATOM   1462 N NH1   . ARG    A  1  187 ? 5.323   -31.331 13.228  1.00 36.50 187 A  1 
ATOM   1463 N NH2   . ARG    A  1  187 ? 4.257   -31.355 11.203  1.00 34.79 187 A  1 
ATOM   1464 N N     . ARG    A  1  188 ? 9.990   -28.909 10.169  1.00 51.30 188 A  1 
ATOM   1465 C CA    . ARG    A  1  188 ? 10.546  -27.898 9.281   1.00 53.25 188 A  1 
ATOM   1466 C C     . ARG    A  1  188 ? 10.573  -26.556 9.997   1.00 51.92 188 A  1 
ATOM   1467 O O     . ARG    A  1  188 ? 9.540   -26.089 10.473  1.00 48.92 188 A  1 
ATOM   1468 C CB    . ARG    A  1  188 ? 9.699   -27.796 8.014   1.00 50.55 188 A  1 
ATOM   1469 C CG    . ARG    A  1  188 ? 10.241  -26.828 6.981   1.00 46.88 188 A  1 
ATOM   1470 C CD    . ARG    A  1  188 ? 9.369   -26.823 5.737   1.00 44.02 188 A  1 
ATOM   1471 N NE    . ARG    A  1  188 ? 9.284   -28.144 5.124   1.00 40.58 188 A  1 
ATOM   1472 C CZ    . ARG    A  1  188 ? 8.467   -28.461 4.119   1.00 37.77 188 A  1 
ATOM   1473 N NH1   . ARG    A  1  188 ? 7.674   -27.547 3.597   1.00 35.90 188 A  1 
ATOM   1474 N NH2   . ARG    A  1  188 ? 8.457   -29.691 3.640   1.00 34.28 188 A  1 
ATOM   1475 N N     . LYS    A  1  189 ? 11.731  -25.966 10.042  1.00 51.04 189 A  1 
ATOM   1476 C CA    . LYS    A  1  189 ? 11.859  -24.683 10.712  1.00 52.21 189 A  1 
ATOM   1477 C C     . LYS    A  1  189 ? 11.566  -23.523 9.767   1.00 50.78 189 A  1 
ATOM   1478 O O     . LYS    A  1  189 ? 12.256  -23.335 8.764   1.00 47.55 189 A  1 
ATOM   1479 C CB    . LYS    A  1  189 ? 13.254  -24.536 11.323  1.00 49.88 189 A  1 
ATOM   1480 C CG    . LYS    A  1  189 ? 14.405  -24.624 10.345  1.00 46.66 189 A  1 
ATOM   1481 C CD    . LYS    A  1  189 ? 15.737  -24.513 11.060  1.00 44.17 189 A  1 
ATOM   1482 C CE    . LYS    A  1  189 ? 16.908  -24.598 10.093  1.00 40.13 189 A  1 
ATOM   1483 N NZ    . LYS    A  1  189 ? 18.214  -24.505 10.796  1.00 39.01 189 A  1 
ATOM   1484 N N     . ASN    A  1  190 ? 10.560  -22.769 10.099  1.00 58.20 190 A  1 
ATOM   1485 C CA    . ASN    A  1  190 ? 10.158  -21.612 9.304   1.00 59.73 190 A  1 
ATOM   1486 C C     . ASN    A  1  190 ? 9.932   -20.417 10.224  1.00 59.69 190 A  1 
ATOM   1487 O O     . ASN    A  1  190 ? 8.889   -19.774 10.177  1.00 54.66 190 A  1 
ATOM   1488 C CB    . ASN    A  1  190 ? 8.881   -21.917 8.525   1.00 55.49 190 A  1 
ATOM   1489 C CG    . ASN    A  1  190 ? 9.095   -22.930 7.424   1.00 50.55 190 A  1 
ATOM   1490 O OD1   . ASN    A  1  190 ? 10.062  -22.851 6.669   1.00 46.98 190 A  1 
ATOM   1491 N ND2   . ASN    A  1  190 ? 8.184   -23.889 7.326   1.00 47.09 190 A  1 
ATOM   1492 N N     . HIS    A  1  191 ? 10.908  -20.154 11.052  1.00 56.68 191 A  1 
ATOM   1493 C CA    . HIS    A  1  191 ? 10.788  -19.077 12.024  1.00 56.66 191 A  1 
ATOM   1494 C C     . HIS    A  1  191 ? 11.310  -17.729 11.540  1.00 53.93 191 A  1 
ATOM   1495 O O     . HIS    A  1  191 ? 11.242  -16.750 12.275  1.00 51.35 191 A  1 
ATOM   1496 C CB    . HIS    A  1  191 ? 11.504  -19.473 13.313  1.00 54.68 191 A  1 
ATOM   1497 C CG    . HIS    A  1  191 ? 10.877  -20.642 14.005  1.00 51.75 191 A  1 
ATOM   1498 N ND1   . HIS    A  1  191 ? 9.787   -20.520 14.825  1.00 47.36 191 A  1 
ATOM   1499 C CD2   . HIS    A  1  191 ? 11.186  -21.951 13.969  1.00 47.04 191 A  1 
ATOM   1500 C CE1   . HIS    A  1  191 ? 9.445   -21.728 15.270  1.00 45.95 191 A  1 
ATOM   1501 N NE2   . HIS    A  1  191 ? 10.274  -22.614 14.767  1.00 45.07 191 A  1 
ATOM   1502 N N     . ARG    A  1  192 ? 11.805  -17.697 10.333  1.00 52.39 192 A  1 
ATOM   1503 C CA    . ARG    A  1  192 ? 12.308  -16.434 9.812   1.00 54.53 192 A  1 
ATOM   1504 C C     . ARG    A  1  192 ? 11.164  -15.625 9.220   1.00 52.84 192 A  1 
ATOM   1505 O O     . ARG    A  1  192 ? 10.111  -16.167 8.882   1.00 49.42 192 A  1 
ATOM   1506 C CB    . ARG    A  1  192 ? 13.371  -16.683 8.753   1.00 52.03 192 A  1 
ATOM   1507 C CG    . ARG    A  1  192 ? 14.635  -17.326 9.308   1.00 48.34 192 A  1 
ATOM   1508 C CD    . ARG    A  1  192 ? 15.361  -16.378 10.228  1.00 45.79 192 A  1 
ATOM   1509 N NE    . ARG    A  1  192 ? 16.573  -16.972 10.791  1.00 41.95 192 A  1 
ATOM   1510 C CZ    . ARG    A  1  192 ? 16.609  -17.720 11.892  1.00 39.37 192 A  1 
ATOM   1511 N NH1   . ARG    A  1  192 ? 15.498  -17.970 12.562  1.00 37.32 192 A  1 
ATOM   1512 N NH2   . ARG    A  1  192 ? 17.759  -18.216 12.310  1.00 35.73 192 A  1 
ATOM   1513 N N     . ARG    A  1  193 ? 11.393  -14.358 9.104   1.00 53.51 193 A  1 
ATOM   1514 C CA    . ARG    A  1  193 ? 10.357  -13.478 8.579   1.00 56.17 193 A  1 
ATOM   1515 C C     . ARG    A  1  193 ? 10.668  -13.079 7.145   1.00 55.96 193 A  1 
ATOM   1516 O O     . ARG    A  1  193 ? 11.823  -12.853 6.788   1.00 52.26 193 A  1 
ATOM   1517 C CB    . ARG    A  1  193 ? 10.232  -12.234 9.460   1.00 53.30 193 A  1 
ATOM   1518 C CG    . ARG    A  1  193 ? 9.086   -11.325 9.078   1.00 49.54 193 A  1 
ATOM   1519 C CD    . ARG    A  1  193 ? 8.943   -10.173 10.049  1.00 47.25 193 A  1 
ATOM   1520 N NE    . ARG    A  1  193 ? 8.483   -10.614 11.363  1.00 42.83 193 A  1 
ATOM   1521 C CZ    . ARG    A  1  193 ? 7.221   -10.860 11.689  1.00 39.36 193 A  1 
ATOM   1522 N NH1   . ARG    A  1  193 ? 6.254   -10.696 10.795  1.00 36.35 193 A  1 
ATOM   1523 N NH2   . ARG    A  1  193 ? 6.918   -11.265 12.911  1.00 34.86 193 A  1 
ATOM   1524 N N     . SER    A  1  194 ? 9.623   -13.004 6.358   1.00 60.66 194 A  1 
ATOM   1525 C CA    . SER    A  1  194 ? 9.764   -12.611 4.963   1.00 64.42 194 A  1 
ATOM   1526 C C     . SER    A  1  194 ? 9.989   -11.113 4.849   1.00 65.47 194 A  1 
ATOM   1527 O O     . SER    A  1  194 ? 9.723   -10.360 5.783   1.00 59.36 194 A  1 
ATOM   1528 C CB    . SER    A  1  194 ? 8.513   -12.993 4.184   1.00 60.31 194 A  1 
ATOM   1529 O OG    . SER    A  1  194 ? 8.564   -12.465 2.879   1.00 53.44 194 A  1 
ATOM   1530 N N     . GLY    A  1  195 ? 10.457  -10.713 3.699   1.00 63.69 195 A  1 
ATOM   1531 C CA    . GLY    A  1  195 ? 10.689  -9.305  3.455   1.00 66.74 195 A  1 
ATOM   1532 C C     . GLY    A  1  195 ? 9.550   -8.562  2.805   1.00 67.78 195 A  1 
ATOM   1533 O O     . GLY    A  1  195 ? 9.721   -7.413  2.423   1.00 62.00 195 A  1 
ATOM   1534 N N     . CYS    A  1  196 ? 8.441   -9.100  2.541   1.00 67.66 196 A  1 
ATOM   1535 C CA    . CYS    A  1  196 ? 7.378   -8.449  2.002   1.00 70.64 196 A  1 
ATOM   1536 C C     . CYS    A  1  196 ? 6.081   -8.905  2.351   1.00 67.62 196 A  1 
ATOM   1537 O O     . CYS    A  1  196 ? 5.799   -9.956  2.523   1.00 62.68 196 A  1 
ATOM   1538 C CB    . CYS    A  1  196 ? 7.268   -8.317  0.656   1.00 66.65 196 A  1 
ATOM   1539 S SG    . CYS    A  1  196 ? 6.258   -7.538  0.471   1.00 64.46 196 A  1 
ATOM   1540 O OXT   . CYS    A  1  196 ? 5.275   -8.489  2.209   1.00 62.16 196 A  1 
HETATM 1541 P PB    . GDP    B  2  .   ? -13.669 -11.257 11.038  1.00 76.70 1   B  1 
HETATM 1542 O O1B   . GDP    B  2  .   ? -13.794 -10.510 9.822   1.00 68.26 1   B  1 
HETATM 1543 O O2B   . GDP    B  2  .   ? -13.542 -12.679 10.851  1.00 68.84 1   B  1 
HETATM 1544 O O3B   . GDP    B  2  .   ? -12.724 -10.688 11.976  1.00 69.98 1   B  1 
HETATM 1545 O O3A   . GDP    B  2  .   ? -15.081 -11.112 11.728  1.00 74.90 1   B  1 
HETATM 1546 P PA    . GDP    B  2  .   ? -15.542 -10.072 12.836  1.00 71.44 1   B  1 
HETATM 1547 O O1A   . GDP    B  2  .   ? -15.292 -8.735  12.400  1.00 67.47 1   B  1 
HETATM 1548 O O2A   . GDP    B  2  .   ? -15.010 -10.473 14.116  1.00 63.57 1   B  1 
HETATM 1549 O "O5'" . GDP    B  2  .   ? -17.082 -10.329 12.863  1.00 72.68 1   B  1 
HETATM 1550 C "C5'" . GDP    B  2  .   ? -17.895 -10.183 11.735  1.00 76.49 1   B  1 
HETATM 1551 C "C4'" . GDP    B  2  .   ? -19.328 -10.029 12.123  1.00 74.56 1   B  1 
HETATM 1552 O "O4'" . GDP    B  2  .   ? -19.761 -11.211 12.762  1.00 78.11 1   B  1 
HETATM 1553 C "C3'" . GDP    B  2  .   ? -19.568 -8.901  13.091  1.00 78.24 1   B  1 
HETATM 1554 O "O3'" . GDP    B  2  .   ? -20.758 -8.282  12.726  1.00 75.46 1   B  1 
HETATM 1555 C "C2'" . GDP    B  2  .   ? -19.729 -9.577  14.420  1.00 77.36 1   B  1 
HETATM 1556 O "O2'" . GDP    B  2  .   ? -20.543 -8.887  15.284  1.00 76.22 1   B  1 
HETATM 1557 C "C1'" . GDP    B  2  .   ? -20.327 -10.903 14.025  1.00 76.33 1   B  1 
HETATM 1558 N N9    . GDP    B  2  .   ? -19.943 -11.943 14.939  1.00 80.32 1   B  1 
HETATM 1559 C C8    . GDP    B  2  .   ? -18.689 -12.318 15.265  1.00 78.56 1   B  1 
HETATM 1560 N N7    . GDP    B  2  .   ? -18.675 -13.312 16.125  1.00 81.78 1   B  1 
HETATM 1561 C C5    . GDP    B  2  .   ? -19.977 -13.578 16.357  1.00 82.58 1   B  1 
HETATM 1562 C C6    . GDP    B  2  .   ? -20.640 -14.535 17.176  1.00 83.71 1   B  1 
HETATM 1563 O O6    . GDP    B  2  .   ? -20.074 -15.333 17.859  1.00 82.09 1   B  1 
HETATM 1564 N N1    . GDP    B  2  .   ? -21.997 -14.522 17.159  1.00 82.09 1   B  1 
HETATM 1565 C C2    . GDP    B  2  .   ? -22.688 -13.634 16.402  1.00 82.39 1   B  1 
HETATM 1566 N N2    . GDP    B  2  .   ? -23.984 -13.710 16.468  1.00 79.42 1   B  1 
HETATM 1567 N N3    . GDP    B  2  .   ? -22.115 -12.733 15.622  1.00 79.51 1   B  1 
HETATM 1568 C C4    . GDP    B  2  .   ? -20.768 -12.708 15.601  1.00 81.81 1   B  1 
HETATM 1569 C C1    . GER    C  3  .   ? 5.326   -6.015  0.316   1.00 36.94 1   C  1 
HETATM 1570 C C2    . GER    C  3  .   ? 5.426   -4.779  0.559   1.00 30.70 1   C  1 
HETATM 1571 C C3    . GER    C  3  .   ? 5.023   -3.652  0.863   1.00 25.20 1   C  1 
HETATM 1572 C C4    . GER    C  3  .   ? 3.603   -3.446  0.940   1.00 17.70 1   C  1 
HETATM 1573 C C5    . GER    C  3  .   ? 5.742   -2.614  1.196   1.00 20.97 1   C  1 
HETATM 1574 C C6    . GER    C  3  .   ? 6.702   -2.416  1.696   1.00 21.21 1   C  1 
HETATM 1575 C C7    . GER    C  3  .   ? 7.486   -1.655  2.186   1.00 18.75 1   C  1 
HETATM 1576 C C8    . GER    C  3  .   ? 8.614   -1.641  2.546   1.00 18.01 1   C  1 
HETATM 1577 C C9    . GER    C  3  .   ? 9.442   -2.821  2.356   1.00 14.58 1   C  1 
HETATM 1578 C C10   . GER    C  3  .   ? 9.108   -0.678  3.196   1.00 14.24 1   C  1 
HETATM 1579 C C11   . GER    C  3  .   ? 9.469   -0.436  4.264   1.00 13.80 1   C  1 
HETATM 1580 C C12   . GER    C  3  .   ? 9.154   0.184   5.210   1.00 11.28 1   C  1 
HETATM 1581 C C13   . GER    C  3  .   ? 9.532   0.537   6.240   1.00 9.88  1   C  1 
HETATM 1582 C C14   . GER    C  3  .   ? 10.814  0.094   6.701   1.00 7.79  1   C  1 
HETATM 1583 C C15   . GER    C  3  .   ? 8.873   1.339   7.043   1.00 7.98  1   C  1 
HETATM 1584 C C16   . GER    C  3  .   ? 9.241   2.344   7.638   1.00 7.52  1   C  1 
HETATM 1585 C C17   . GER    C  3  .   ? 8.812   3.167   8.418   1.00 4.35  1   C  1 
HETATM 1586 C C18   . GER    C  3  .   ? 9.039   4.226   8.858   1.00 2.80  1   C  1 
HETATM 1587 C C19   . GER    C  3  .   ? 8.280   4.849   9.880   1.00 3.42  1   C  1 
HETATM 1588 C C20   . GER    C  3  .   ? 10.122  5.034   8.369   1.00 3.75  1   C  1 
HETATM 1589 C C1    . LIG_D  D  4  .   ? 15.855  0.196   6.385   1.00 2.55  1   D  1 
HETATM 1590 C C2    . LIG_D  D  4  .   ? 16.311  -0.877  6.537   1.00 2.69  1   D  1 
HETATM 1591 C C3    . LIG_D  D  4  .   ? 15.791  -1.886  6.633   1.00 2.72  1   D  1 
HETATM 1592 C C4    . LIG_D  D  4  .   ? 14.838  -2.496  6.712   1.00 3.75  1   D  1 
HETATM 1593 C C5    . LIG_D  D  4  .   ? 13.884  -3.095  6.785   1.00 3.13  1   D  1 
HETATM 1594 C C6    . LIG_D  D  4  .   ? 12.840  -3.529  6.830   1.00 2.90  1   D  1 
HETATM 1595 C C7    . LIG_D  D  4  .   ? 11.780  -3.824  6.840   1.00 2.66  1   D  1 
HETATM 1596 C C8    . LIG_D  D  4  .   ? 10.686  -3.975  6.790   1.00 2.79  1   D  1 
HETATM 1597 C C9    . LIG_D  D  4  .   ? 9.602   -3.999  6.691   1.00 2.86  1   D  1 
HETATM 1598 C C10   . LIG_D  D  4  .   ? 8.480   -3.954  6.550   1.00 3.34  1   D  1 
HETATM 1599 C C11   . LIG_D  D  4  .   ? 7.396   -3.875  6.396   1.00 3.09  1   D  1 
HETATM 1600 C C12   . LIG_D  D  4  .   ? 6.301   -3.779  6.216   1.00 4.05  1   D  1 
HETATM 1601 C C13   . LIG_D  D  4  .   ? 5.224   -3.712  6.015   1.00 2.77  1   D  1 
HETATM 1602 C C14   . LIG_D  D  4  .   ? 4.129   -3.628  5.791   1.00 3.01  1   D  1 
HETATM 1603 C C15   . LIG_D  D  4  .   ? 3.075   -3.558  5.614   1.00 3.27  1   D  1 
HETATM 1604 C C16   . LIG_D  D  4  .   ? 1.943   -3.447  5.430   1.00 3.77  1   D  1 
HETATM 1605 C C17   . LIG_D  D  4  .   ? 0.958   -3.372  5.310   1.00 3.21  1   D  1 
HETATM 1606 C C18   . LIG_D  D  4  .   ? -0.273  -3.240  5.123   1.00 3.90  1   D  1 
HETATM 1607 O O1    . LIG_D  D  4  .   ? -1.064  -3.725  5.844   1.00 5.38  1   D  1 
HETATM 1608 O O2    . LIG_D  D  4  .   ? -0.525  -2.556  4.143   1.00 3.78  1   D  1 
HETATM 1609 C C19   . LIG_D  D  4  .   ? -1.791  -2.412  3.866   1.00 2.83  1   D  1 
HETATM 1610 C C20   . LIG_D  D  4  .   ? -2.069  -1.247  3.069   1.00 3.55  1   D  1 
HETATM 1611 C C21   . LIG_D  D  4  .   ? -3.510  -1.249  2.720   1.00 3.22  1   D  1 
HETATM 1612 O O3    . LIG_D  D  4  .   ? -4.220  -1.135  3.852   1.00 3.09  1   D  1 
HETATM 1613 P P1    . LIG_D  D  4  .   ? -5.711  -1.094  3.855   1.00 3.17  1   D  1 
HETATM 1614 O O4    . LIG_D  D  4  .   ? -6.126  0.049   4.592   1.00 2.51  1   D  1 
HETATM 1615 O O5    . LIG_D  D  4  .   ? -6.217  -2.386  4.163   1.00 3.36  1   D  1 
HETATM 1616 O O6    . LIG_D  D  4  .   ? -5.957  -0.789  2.343   1.00 2.73  1   D  1 
HETATM 1617 C C22   . LIG_D  D  4  .   ? -7.068  -0.654  1.776   1.00 3.51  1   D  1 
HETATM 1618 C C23   . LIG_D  D  4  .   ? -6.952  -1.167  0.488   1.00 3.51  1   D  1 
HETATM 1619 N N1    . LIG_D  D  4  .   ? -7.650  -2.320  0.200   1.00 4.78  1   D  1 
HETATM 1620 C C24   . LIG_D  D  4  .   ? -7.280  -2.726  -1.090  1.00 3.21  1   D  1 
HETATM 1621 C C25   . LIG_D  D  4  .   ? -9.056  -2.053  0.241   1.00 3.34  1   D  1 
HETATM 1622 C C26   . LIG_D  D  4  .   ? -7.342  -3.344  1.142   1.00 4.04  1   D  1 
HETATM 1623 O O7    . LIG_D  D  4  .   ? -1.329  -1.283  1.913   1.00 3.17  1   D  1 
HETATM 1624 C C27   . LIG_D  D  4  .   ? -0.557  -0.331  1.790   1.00 3.88  1   D  1 
HETATM 1625 O O8    . LIG_D  D  4  .   ? -0.601  0.583   2.597   1.00 2.53  1   D  1 
HETATM 1626 C C28   . LIG_D  D  4  .   ? 0.299   -0.350  0.808   1.00 3.53  1   D  1 
HETATM 1627 C C29   . LIG_D  D  4  .   ? 1.333   0.280   0.803   1.00 2.90  1   D  1 
HETATM 1628 C C30   . LIG_D  D  4  .   ? 2.113   0.904   1.299   1.00 2.53  1   D  1 
HETATM 1629 C C31   . LIG_D  D  4  .   ? 3.053   1.523   1.544   1.00 2.27  1   D  1 
HETATM 1630 C C32   . LIG_D  D  4  .   ? 3.931   2.090   1.916   1.00 2.40  1   D  1 
HETATM 1631 C C33   . LIG_D  D  4  .   ? 4.892   2.618   2.218   1.00 2.30  1   D  1 
HETATM 1632 C C34   . LIG_D  D  4  .   ? 5.860   3.073   2.566   1.00 2.11  1   D  1 
HETATM 1633 C C35   . LIG_D  D  4  .   ? 6.900   3.432   2.905   1.00 1.97  1   D  1 
HETATM 1634 C C36   . LIG_D  D  4  .   ? 7.945   3.657   3.287   1.00 2.12  1   D  1 
HETATM 1635 C C37   . LIG_D  D  4  .   ? 9.037   3.779   3.685   1.00 2.12  1   D  1 
HETATM 1636 C C38   . LIG_D  D  4  .   ? 10.129  3.762   4.104   1.00 1.83  1   D  1 
HETATM 1637 C C39   . LIG_D  D  4  .   ? 11.225  3.614   4.527   1.00 1.92  1   D  1 
HETATM 1638 C C40   . LIG_D  D  4  .   ? 12.317  3.385   4.916   1.00 2.18  1   D  1 
HETATM 1639 C C41   . LIG_D  D  4  .   ? 13.407  3.094   5.265   1.00 1.82  1   D  1 
HETATM 1640 C C42   . LIG_D  D  4  .   ? 14.457  2.828   5.514   1.00 1.79  1   D  1 
HETATM 1641 C C43   . LIG_D  D  4  .   ? 15.509  2.660   5.695   1.00 1.51  1   D  1 
HETATM 1642 C C44   . LIG_D  D  4  .   ? 16.670  2.716   5.819   1.00 1.55  1   D  1 
HETATM 1643 C C1    . LIG_E  E  5  .   ? 15.094  3.108   0.427   1.00 2.27  1   E  1 
HETATM 1644 C C2    . LIG_E  E  5  .   ? 16.110  3.402   -0.032  1.00 2.22  1   E  1 
HETATM 1645 C C3    . LIG_E  E  5  .   ? 16.543  2.926   -0.943  1.00 2.05  1   E  1 
HETATM 1646 C C4    . LIG_E  E  5  .   ? 16.228  2.243   -1.747  1.00 2.33  1   E  1 
HETATM 1647 C C5    . LIG_E  E  5  .   ? 15.720  1.558   -2.452  1.00 2.24  1   E  1 
HETATM 1648 C C6    . LIG_E  E  5  .   ? 15.027  0.878   -3.007  1.00 2.16  1   E  1 
HETATM 1649 C C7    . LIG_E  E  5  .   ? 14.272  0.215   -3.454  1.00 1.96  1   E  1 
HETATM 1650 C C8    . LIG_E  E  5  .   ? 13.442  -0.432  -3.784  1.00 2.02  1   E  1 
HETATM 1651 C C9    . LIG_E  E  5  .   ? 12.591  -1.046  -4.062  1.00 2.17  1   E  1 
HETATM 1652 C C10   . LIG_E  E  5  .   ? 11.690  -1.691  -4.309  1.00 2.44  1   E  1 
HETATM 1653 C C11   . LIG_E  E  5  .   ? 10.797  -2.306  -4.517  1.00 2.51  1   E  1 
HETATM 1654 C C12   . LIG_E  E  5  .   ? 9.886   -2.936  -4.729  1.00 2.93  1   E  1 
HETATM 1655 C C13   . LIG_E  E  5  .   ? 8.960   -3.531  -4.930  1.00 2.29  1   E  1 
HETATM 1656 C C14   . LIG_E  E  5  .   ? 8.061   -4.178  -5.176  1.00 2.54  1   E  1 
HETATM 1657 C C15   . LIG_E  E  5  .   ? 7.171   -4.759  -5.423  1.00 2.77  1   E  1 
HETATM 1658 C C16   . LIG_E  E  5  .   ? 6.329   -5.457  -5.767  1.00 3.06  1   E  1 
HETATM 1659 C C17   . LIG_E  E  5  .   ? 5.469   -5.959  -6.090  1.00 2.60  1   E  1 
HETATM 1660 C C18   . LIG_E  E  5  .   ? 4.784   -6.891  -6.590  1.00 3.40  1   E  1 
HETATM 1661 O O1    . LIG_E  E  5  .   ? 4.118   -6.700  -7.538  1.00 3.97  1   E  1 
HETATM 1662 O O2    . LIG_E  E  5  .   ? 4.927   -7.968  -6.049  1.00 3.89  1   E  1 
HETATM 1663 C C19   . LIG_E  E  5  .   ? 4.310   -8.979  -6.613  1.00 3.84  1   E  1 
HETATM 1664 C C20   . LIG_E  E  5  .   ? 4.539   -10.228 -5.956  1.00 6.01  1   E  1 
HETATM 1665 C C21   . LIG_E  E  5  .   ? 3.261   -10.960 -5.804  1.00 4.72  1   E  1 
HETATM 1666 O O3    . LIG_E  E  5  .   ? 3.014   -11.765 -6.795  1.00 5.04  1   E  1 
HETATM 1667 P P1    . LIG_E  E  5  .   ? 1.700   -12.556 -6.811  1.00 5.46  1   E  1 
HETATM 1668 O O4    . LIG_E  E  5  .   ? 1.980   -13.829 -7.349  1.00 4.07  1   E  1 
HETATM 1669 O O5    . LIG_E  E  5  .   ? 1.022   -12.466 -5.588  1.00 6.04  1   E  1 
HETATM 1670 O O6    . LIG_E  E  5  .   ? 0.910   -11.697 -7.812  1.00 4.29  1   E  1 
HETATM 1671 C C22   . LIG_E  E  5  .   ? 1.079   -11.734 -9.086  1.00 5.40  1   E  1 
HETATM 1672 C C23   . LIG_E  E  5  .   ? 0.173   -10.891 -9.713  1.00 4.63  1   E  1 
HETATM 1673 N N1    . LIG_E  E  5  .   ? -1.000  -11.428 -10.206 1.00 5.94  1   E  1 
HETATM 1674 C C24   . LIG_E  E  5  .   ? -1.396  -12.607 -9.517  1.00 4.41  1   E  1 
HETATM 1675 C C25   . LIG_E  E  5  .   ? -0.804  -11.731 -11.565 1.00 3.57  1   E  1 
HETATM 1676 C C26   . LIG_E  E  5  .   ? -2.006  -10.450 -10.071 1.00 4.17  1   E  1 
HETATM 1677 O O7    . LIG_E  E  5  .   ? 4.953   -10.029 -4.660  1.00 4.32  1   E  1 
HETATM 1678 C C27   . LIG_E  E  5  .   ? 5.965   -10.687 -4.329  1.00 5.31  1   E  1 
HETATM 1679 O O8    . LIG_E  E  5  .   ? 6.429   -11.540 -5.014  1.00 3.29  1   E  1 
HETATM 1680 C C28   . LIG_E  E  5  .   ? 6.503   -10.306 -3.230  1.00 4.54  1   E  1 
HETATM 1681 C C29   . LIG_E  E  5  .   ? 7.554   -9.867  -3.074  1.00 3.76  1   E  1 
HETATM 1682 C C30   . LIG_E  E  5  .   ? 8.454   -9.341  -2.994  1.00 3.90  1   E  1 
HETATM 1683 C C31   . LIG_E  E  5  .   ? 9.315   -8.695  -2.817  1.00 3.43  1   E  1 
HETATM 1684 C C32   . LIG_E  E  5  .   ? 10.022  -7.982  -2.551  1.00 3.78  1   E  1 
HETATM 1685 C C33   . LIG_E  E  5  .   ? 10.607  -7.169  -2.206  1.00 3.16  1   E  1 
HETATM 1686 C C34   . LIG_E  E  5  .   ? 11.085  -6.312  -1.797  1.00 2.94  1   E  1 
HETATM 1687 C C35   . LIG_E  E  5  .   ? 11.484  -5.402  -1.370  1.00 2.47  1   E  1 
HETATM 1688 C C36   . LIG_E  E  5  .   ? 11.806  -4.449  -0.957  1.00 2.79  1   E  1 
HETATM 1689 C C37   . LIG_E  E  5  .   ? 12.095  -3.475  -0.548  1.00 2.74  1   E  1 
HETATM 1690 C C38   . LIG_E  E  5  .   ? 12.336  -2.468  -0.159  1.00 2.18  1   E  1 
HETATM 1691 C C39   . LIG_E  E  5  .   ? 12.536  -1.441  0.227   1.00 2.37  1   E  1 
HETATM 1692 C C40   . LIG_E  E  5  .   ? 12.744  -0.418  0.585   1.00 2.55  1   E  1 
HETATM 1693 C C41   . LIG_E  E  5  .   ? 12.943  0.604   0.947   1.00 1.96  1   E  1 
HETATM 1694 C C42   . LIG_E  E  5  .   ? 13.215  1.555   1.253   1.00 1.84  1   E  1 
HETATM 1695 C C43   . LIG_E  E  5  .   ? 13.380  2.530   1.578   1.00 1.44  1   E  1 
HETATM 1696 C C44   . LIG_E  E  5  .   ? 13.482  3.603   1.959   1.00 1.51  1   E  1 
HETATM 1697 C C1    . LIG_F  F  6  .   ? 11.965  9.160   4.934   1.00 1.86  1   F  1 
HETATM 1698 C C2    . LIG_F  F  6  .   ? 11.052  8.640   4.819   1.00 2.03  1   F  1 
HETATM 1699 C C3    . LIG_F  F  6  .   ? 10.044  8.238   5.114   1.00 1.86  1   F  1 
HETATM 1700 C C4    . LIG_F  F  6  .   ? 9.038   7.916   5.391   1.00 2.19  1   F  1 
HETATM 1701 C C5    . LIG_F  F  6  .   ? 8.002   7.609   5.697   1.00 1.97  1   F  1 
HETATM 1702 C C6    . LIG_F  F  6  .   ? 6.963   7.320   5.988   1.00 1.87  1   F  1 
HETATM 1703 C C7    . LIG_F  F  6  .   ? 5.923   7.056   6.248   1.00 1.72  1   F  1 
HETATM 1704 C C8    . LIG_F  F  6  .   ? 4.889   6.817   6.487   1.00 1.79  1   F  1 
HETATM 1705 C C9    . LIG_F  F  6  .   ? 3.874   6.597   6.744   1.00 1.89  1   F  1 
HETATM 1706 C C10   . LIG_F  F  6  .   ? 2.874   6.338   7.134   1.00 2.13  1   F  1 
HETATM 1707 C C11   . LIG_F  F  6  .   ? 2.017   6.096   7.728   1.00 2.04  1   F  1 
HETATM 1708 C C12   . LIG_F  F  6  .   ? 1.279   5.885   8.501   1.00 2.27  1   F  1 
HETATM 1709 C C13   . LIG_F  F  6  .   ? 0.682   5.735   9.382   1.00 1.68  1   F  1 
HETATM 1710 C C14   . LIG_F  F  6  .   ? 0.152   5.618   10.357  1.00 1.72  1   F  1 
HETATM 1711 C C15   . LIG_F  F  6  .   ? -0.312  5.505   11.307  1.00 1.70  1   F  1 
HETATM 1712 C C16   . LIG_F  F  6  .   ? -0.792  5.344   12.337  1.00 1.80  1   F  1 
HETATM 1713 C C17   . LIG_F  F  6  .   ? -1.220  5.175   13.225  1.00 1.59  1   F  1 
HETATM 1714 C C18   . LIG_F  F  6  .   ? -1.710  5.006   14.396  1.00 1.95  1   F  1 
HETATM 1715 O O1    . LIG_F  F  6  .   ? -2.863  4.866   14.566  1.00 2.57  1   F  1 
HETATM 1716 O O2    . LIG_F  F  6  .   ? -0.845  5.006   15.252  1.00 2.28  1   F  1 
HETATM 1717 C C19   . LIG_F  F  6  .   ? -1.231  4.875   16.512  1.00 1.66  1   F  1 
HETATM 1718 C C20   . LIG_F  F  6  .   ? -0.082  4.851   17.407  1.00 1.90  1   F  1 
HETATM 1719 C C21   . LIG_F  F  6  .   ? -0.500  4.560   18.809  1.00 2.02  1   F  1 
HETATM 1720 O O3    . LIG_F  F  6  .   ? -1.552  3.758   18.842  1.00 2.17  1   F  1 
HETATM 1721 P P1    . LIG_F  F  6  .   ? -1.650  2.540   19.819  1.00 2.63  1   F  1 
HETATM 1722 O O4    . LIG_F  F  6  .   ? -1.021  2.820   21.049  1.00 2.19  1   F  1 
HETATM 1723 O O5    . LIG_F  F  6  .   ? -2.988  2.095   19.808  1.00 2.92  1   F  1 
HETATM 1724 O O6    . LIG_F  F  6  .   ? -0.778  1.535   19.024  1.00 2.95  1   F  1 
HETATM 1725 C C22   . LIG_F  F  6  .   ? -0.687  0.309   19.283  1.00 3.41  1   F  1 
HETATM 1726 C C23   . LIG_F  F  6  .   ? 0.222   -0.350  18.495  1.00 3.77  1   F  1 
HETATM 1727 N N1    . LIG_F  F  6  .   ? -0.155  -0.910  17.301  1.00 5.93  1   F  1 
HETATM 1728 C C24   . LIG_F  F  6  .   ? 0.493   -2.137  17.208  1.00 4.12  1   F  1 
HETATM 1729 C C25   . LIG_F  F  6  .   ? 0.255   -0.072  16.257  1.00 4.12  1   F  1 
HETATM 1730 C C26   . LIG_F  F  6  .   ? -1.555  -1.108  17.234  1.00 4.42  1   F  1 
HETATM 1731 O O7    . LIG_F  F  6  .   ? 0.481   6.105   17.421  1.00 1.90  1   F  1 
HETATM 1732 C C27   . LIG_F  F  6  .   ? 1.649   6.135   16.977  1.00 1.97  1   F  1 
HETATM 1733 O O8    . LIG_F  F  6  .   ? 2.186   5.125   16.611  1.00 1.74  1   F  1 
HETATM 1734 C C28   . LIG_F  F  6  .   ? 2.223   7.291   16.890  1.00 1.55  1   F  1 
HETATM 1735 C C29   . LIG_F  F  6  .   ? 3.137   7.639   16.247  1.00 1.60  1   F  1 
HETATM 1736 C C30   . LIG_F  F  6  .   ? 3.920   8.174   15.684  1.00 1.60  1   F  1 
HETATM 1737 C C31   . LIG_F  F  6  .   ? 4.739   8.484   14.955  1.00 1.50  1   F  1 
HETATM 1738 C C32   . LIG_F  F  6  .   ? 5.482   8.764   14.193  1.00 1.69  1   F  1 
HETATM 1739 C C33   . LIG_F  F  6  .   ? 6.236   8.974   13.380  1.00 1.64  1   F  1 
HETATM 1740 C C34   . LIG_F  F  6  .   ? 6.987   9.154   12.563  1.00 1.60  1   F  1 
HETATM 1741 C C35   . LIG_F  F  6  .   ? 7.766   9.313   11.761  1.00 1.60  1   F  1 
HETATM 1742 C C36   . LIG_F  F  6  .   ? 8.549   9.451   10.975  1.00 1.64  1   F  1 
HETATM 1743 C C37   . LIG_F  F  6  .   ? 9.369   9.560   10.213  1.00 1.66  1   F  1 
HETATM 1744 C C38   . LIG_F  F  6  .   ? 10.196  9.676   9.481   1.00 1.52  1   F  1 
HETATM 1745 C C39   . LIG_F  F  6  .   ? 11.040  9.808   8.754   1.00 1.56  1   F  1 
HETATM 1746 C C40   . LIG_F  F  6  .   ? 11.873  9.950   8.031   1.00 1.78  1   F  1 
HETATM 1747 C C41   . LIG_F  F  6  .   ? 12.708  10.082  7.299   1.00 1.52  1   F  1 
HETATM 1748 C C42   . LIG_F  F  6  .   ? 13.500  10.195  6.606   1.00 1.48  1   F  1 
HETATM 1749 C C43   . LIG_F  F  6  .   ? 14.338  10.328  5.942   1.00 1.32  1   F  1 
HETATM 1750 C C44   . LIG_F  F  6  .   ? 15.221  10.491  5.276   1.00 1.39  1   F  1 
HETATM 1751 C C1    . LIG_G  G  7  .   ? 7.939   17.597  -5.892  1.00 1.70  1   G  1 
HETATM 1752 C C2    . LIG_G  G  7  .   ? 7.430   18.434  -5.593  1.00 1.83  1   G  1 
HETATM 1753 C C3    . LIG_G  G  7  .   ? 6.330   18.546  -5.318  1.00 1.69  1   G  1 
HETATM 1754 C C4    . LIG_G  G  7  .   ? 5.299   18.182  -5.120  1.00 1.98  1   G  1 
HETATM 1755 C C5    . LIG_G  G  7  .   ? 4.241   17.794  -4.963  1.00 1.82  1   G  1 
HETATM 1756 C C6    . LIG_G  G  7  .   ? 3.188   17.328  -4.863  1.00 1.63  1   G  1 
HETATM 1757 C C7    . LIG_G  G  7  .   ? 2.141   16.882  -4.793  1.00 1.60  1   G  1 
HETATM 1758 C C8    . LIG_G  G  7  .   ? 1.088   16.430  -4.781  1.00 1.56  1   G  1 
HETATM 1759 C C9    . LIG_G  G  7  .   ? 0.038   16.035  -4.816  1.00 1.59  1   G  1 
HETATM 1760 C C10   . LIG_G  G  7  .   ? -1.069  15.645  -4.894  1.00 1.71  1   G  1 
HETATM 1761 C C11   . LIG_G  G  7  .   ? -2.167  15.354  -5.017  1.00 1.60  1   G  1 
HETATM 1762 C C12   . LIG_G  G  7  .   ? -3.280  15.033  -5.182  1.00 1.67  1   G  1 
HETATM 1763 C C13   . LIG_G  G  7  .   ? -4.385  14.821  -5.382  1.00 1.38  1   G  1 
HETATM 1764 C C14   . LIG_G  G  7  .   ? -5.501  14.499  -5.579  1.00 1.39  1   G  1 
HETATM 1765 C C15   . LIG_G  G  7  .   ? -6.604  14.378  -5.766  1.00 1.36  1   G  1 
HETATM 1766 C C16   . LIG_G  G  7  .   ? -7.736  14.033  -5.932  1.00 1.36  1   G  1 
HETATM 1767 C C17   . LIG_G  G  7  .   ? -8.862  14.105  -6.027  1.00 1.27  1   G  1 
HETATM 1768 C C18   . LIG_G  G  7  .   ? -9.993  13.450  -6.101  1.00 1.33  1   G  1 
HETATM 1769 O O1    . LIG_G  G  7  .   ? -10.986 13.899  -5.666  1.00 1.67  1   G  1 
HETATM 1770 O O2    . LIG_G  G  7  .   ? -9.888  12.345  -6.618  1.00 1.61  1   G  1 
HETATM 1771 C C19   . LIG_G  G  7  .   ? -10.949 11.563  -6.641  1.00 1.24  1   G  1 
HETATM 1772 C C20   . LIG_G  G  7  .   ? -10.791 10.453  -7.572  1.00 1.27  1   G  1 
HETATM 1773 C C21   . LIG_G  G  7  .   ? -11.819 9.408   -7.336  1.00 1.27  1   G  1 
HETATM 1774 O O3    . LIG_G  G  7  .   ? -13.040 9.940   -7.338  1.00 1.28  1   G  1 
HETATM 1775 P P1    . LIG_G  G  7  .   ? -14.300 9.078   -7.201  1.00 1.23  1   G  1 
HETATM 1776 O O4    . LIG_G  G  7  .   ? -14.159 7.878   -7.978  1.00 1.17  1   G  1 
HETATM 1777 O O5    . LIG_G  G  7  .   ? -15.407 9.894   -7.364  1.00 1.16  1   G  1 
HETATM 1778 O O6    . LIG_G  G  7  .   ? -14.123 8.666   -5.718  1.00 1.30  1   G  1 
HETATM 1779 C C22   . LIG_G  G  7  .   ? -14.690 9.217   -4.710  1.00 1.31  1   G  1 
HETATM 1780 C C23   . LIG_G  G  7  .   ? -14.148 8.666   -3.551  1.00 1.30  1   G  1 
HETATM 1781 N N1    . LIG_G  G  7  .   ? -14.676 7.493   -3.046  1.00 1.73  1   G  1 
HETATM 1782 C C24   . LIG_G  G  7  .   ? -15.785 7.823   -2.229  1.00 1.30  1   G  1 
HETATM 1783 C C25   . LIG_G  G  7  .   ? -13.678 6.897   -2.293  1.00 1.40  1   G  1 
HETATM 1784 C C26   . LIG_G  G  7  .   ? -15.091 6.592   -4.062  1.00 1.40  1   G  1 
HETATM 1785 O O7    . LIG_G  G  7  .   ? -9.567  9.849   -7.376  1.00 1.47  1   G  1 
HETATM 1786 C C27   . LIG_G  G  7  .   ? -8.798  9.849   -8.386  1.00 1.49  1   G  1 
HETATM 1787 O O8    . LIG_G  G  7  .   ? -9.194  10.033  -9.488  1.00 1.45  1   G  1 
HETATM 1788 C C28   . LIG_G  G  7  .   ? -7.522  9.673   -8.109  1.00 1.36  1   G  1 
HETATM 1789 C C29   . LIG_G  G  7  .   ? -6.541  10.135  -7.809  1.00 1.46  1   G  1 
HETATM 1790 C C30   . LIG_G  G  7  .   ? -5.434  10.330  -7.535  1.00 1.50  1   G  1 
HETATM 1791 C C31   . LIG_G  G  7  .   ? -4.381  10.649  -7.260  1.00 1.46  1   G  1 
HETATM 1792 C C32   . LIG_G  G  7  .   ? -3.285  10.886  -7.033  1.00 1.59  1   G  1 
HETATM 1793 C C33   . LIG_G  G  7  .   ? -2.189  11.171  -6.827  1.00 1.57  1   G  1 
HETATM 1794 C C34   . LIG_G  G  7  .   ? -1.077  11.468  -6.663  1.00 1.58  1   G  1 
HETATM 1795 C C35   . LIG_G  G  7  .   ? 0.036   11.793  -6.537  1.00 1.55  1   G  1 
HETATM 1796 C C36   . LIG_G  G  7  .   ? 1.157   12.146  -6.461  1.00 1.64  1   G  1 
HETATM 1797 C C37   . LIG_G  G  7  .   ? 2.265   12.545  -6.428  1.00 1.67  1   G  1 
HETATM 1798 C C38   . LIG_G  G  7  .   ? 3.367   12.977  -6.420  1.00 1.53  1   G  1 
HETATM 1799 C C39   . LIG_G  G  7  .   ? 4.460   13.452  -6.440  1.00 1.60  1   G  1 
HETATM 1800 C C40   . LIG_G  G  7  .   ? 5.515   13.983  -6.461  1.00 1.69  1   G  1 
HETATM 1801 C C41   . LIG_G  G  7  .   ? 6.547   14.531  -6.475  1.00 1.41  1   G  1 
HETATM 1802 C C42   . LIG_G  G  7  .   ? 7.536   15.059  -6.473  1.00 1.37  1   G  1 
HETATM 1803 C C43   . LIG_G  G  7  .   ? 8.539   15.536  -6.456  1.00 1.26  1   G  1 
HETATM 1804 C C44   . LIG_G  G  7  .   ? 9.672   15.960  -6.470  1.00 1.33  1   G  1 
HETATM 1805 C C1    . LIG_H  H  8  .   ? 10.590  26.327  -14.240 1.00 1.76  1   H  1 
HETATM 1806 C C2    . LIG_H  H  8  .   ? 10.519  26.038  -15.213 1.00 2.01  1   H  1 
HETATM 1807 C C3    . LIG_H  H  8  .   ? 9.888   25.838  -16.109 1.00 1.95  1   H  1 
HETATM 1808 C C4    . LIG_H  H  8  .   ? 9.178   25.657  -16.945 1.00 2.22  1   H  1 
HETATM 1809 C C5    . LIG_H  H  8  .   ? 8.407   25.482  -17.749 1.00 1.87  1   H  1 
HETATM 1810 C C6    . LIG_H  H  8  .   ? 7.598   25.290  -18.530 1.00 1.75  1   H  1 
HETATM 1811 C C7    . LIG_H  H  8  .   ? 6.773   25.055  -19.256 1.00 1.63  1   H  1 
HETATM 1812 C C8    . LIG_H  H  8  .   ? 5.931   24.798  -19.969 1.00 1.62  1   H  1 
HETATM 1813 C C9    . LIG_H  H  8  .   ? 5.100   24.479  -20.649 1.00 1.60  1   H  1 
HETATM 1814 C C10   . LIG_H  H  8  .   ? 4.239   24.124  -21.356 1.00 1.64  1   H  1 
HETATM 1815 C C11   . LIG_H  H  8  .   ? 3.396   23.751  -22.038 1.00 1.58  1   H  1 
HETATM 1816 C C12   . LIG_H  H  8  .   ? 2.525   23.377  -22.707 1.00 1.59  1   H  1 
HETATM 1817 C C13   . LIG_H  H  8  .   ? 1.680   22.996  -23.370 1.00 1.36  1   H  1 
HETATM 1818 C C14   . LIG_H  H  8  .   ? 0.772   22.670  -24.001 1.00 1.35  1   H  1 
HETATM 1819 C C15   . LIG_H  H  8  .   ? -0.083  22.313  -24.643 1.00 1.33  1   H  1 
HETATM 1820 C C16   . LIG_H  H  8  .   ? -1.077  22.087  -25.226 1.00 1.33  1   H  1 
HETATM 1821 C C17   . LIG_H  H  8  .   ? -1.868  21.696  -25.921 1.00 1.26  1   H  1 
HETATM 1822 C C18   . LIG_H  H  8  .   ? -3.077  21.808  -26.387 1.00 1.28  1   H  1 
HETATM 1823 O O1    . LIG_H  H  8  .   ? -3.398  21.320  -27.400 1.00 1.53  1   H  1 
HETATM 1824 O O2    . LIG_H  H  8  .   ? -3.815  22.450  -25.653 1.00 1.47  1   H  1 
HETATM 1825 C C19   . LIG_H  H  8  .   ? -5.021  22.790  -26.071 1.00 1.26  1   H  1 
HETATM 1826 C C20   . LIG_H  H  8  .   ? -5.700  23.605  -25.067 1.00 1.29  1   H  1 
HETATM 1827 C C21   . LIG_H  H  8  .   ? -6.641  24.572  -25.676 1.00 1.32  1   H  1 
HETATM 1828 O O3    . LIG_H  H  8  .   ? -7.597  23.989  -26.359 1.00 1.25  1   H  1 
HETATM 1829 P P1    . LIG_H  H  8  .   ? -8.685  24.845  -27.029 1.00 1.25  1   H  1 
HETATM 1830 O O4    . LIG_H  H  8  .   ? -9.139  25.809  -26.125 1.00 1.18  1   H  1 
HETATM 1831 O O5    . LIG_H  H  8  .   ? -9.594  23.935  -27.627 1.00 1.15  1   H  1 
HETATM 1832 O O6    . LIG_H  H  8  .   ? -7.824  25.492  -28.141 1.00 1.27  1   H  1 
HETATM 1833 C C22   . LIG_H  H  8  .   ? -7.770  26.715  -28.482 1.00 1.29  1   H  1 
HETATM 1834 C C23   . LIG_H  H  8  .   ? -6.909  26.953  -29.570 1.00 1.29  1   H  1 
HETATM 1835 N N1    . LIG_H  H  8  .   ? -6.485  28.239  -29.778 1.00 1.82  1   H  1 
HETATM 1836 C C24   . LIG_H  H  8  .   ? -7.599  29.092  -30.003 1.00 1.38  1   H  1 
HETATM 1837 C C25   . LIG_H  H  8  .   ? -5.653  28.236  -30.901 1.00 1.43  1   H  1 
HETATM 1838 C C26   . LIG_H  H  8  .   ? -5.785  28.697  -28.634 1.00 1.45  1   H  1 
HETATM 1839 O O7    . LIG_H  H  8  .   ? -4.790  24.378  -24.393 1.00 1.42  1   H  1 
HETATM 1840 C C27   . LIG_H  H  8  .   ? -4.696  24.170  -23.161 1.00 1.41  1   H  1 
HETATM 1841 O O8    . LIG_H  H  8  .   ? -5.531  23.578  -22.548 1.00 1.36  1   H  1 
HETATM 1842 C C28   . LIG_H  H  8  .   ? -3.611  24.615  -22.614 1.00 1.32  1   H  1 
HETATM 1843 C C29   . LIG_H  H  8  .   ? -2.898  24.563  -21.770 1.00 1.37  1   H  1 
HETATM 1844 C C30   . LIG_H  H  8  .   ? -2.021  24.684  -21.074 1.00 1.34  1   H  1 
HETATM 1845 C C31   . LIG_H  H  8  .   ? -1.197  24.738  -20.313 1.00 1.35  1   H  1 
HETATM 1846 C C32   . LIG_H  H  8  .   ? -0.343  24.879  -19.585 1.00 1.44  1   H  1 
HETATM 1847 C C33   . LIG_H  H  8  .   ? 0.491   25.020  -18.838 1.00 1.47  1   H  1 
HETATM 1848 C C34   . LIG_H  H  8  .   ? 1.347   25.196  -18.095 1.00 1.46  1   H  1 
HETATM 1849 C C35   . LIG_H  H  8  .   ? 2.201   25.396  -17.362 1.00 1.46  1   H  1 
HETATM 1850 C C36   . LIG_H  H  8  .   ? 3.081   25.597  -16.653 1.00 1.50  1   H  1 
HETATM 1851 C C37   . LIG_H  H  8  .   ? 3.985   25.808  -15.976 1.00 1.52  1   H  1 
HETATM 1852 C C38   . LIG_H  H  8  .   ? 4.915   26.029  -15.325 1.00 1.47  1   H  1 
HETATM 1853 C C39   . LIG_H  H  8  .   ? 5.876   26.253  -14.703 1.00 1.54  1   H  1 
HETATM 1854 C C40   . LIG_H  H  8  .   ? 6.850   26.460  -14.115 1.00 1.63  1   H  1 
HETATM 1855 C C41   . LIG_H  H  8  .   ? 7.840   26.651  -13.534 1.00 1.47  1   H  1 
HETATM 1856 C C42   . LIG_H  H  8  .   ? 8.797   26.824  -12.981 1.00 1.48  1   H  1 
HETATM 1857 C C43   . LIG_H  H  8  .   ? 9.717   27.010  -12.385 1.00 1.33  1   H  1 
HETATM 1858 C C44   . LIG_H  H  8  .   ? 10.652  27.219  -11.685 1.00 1.43  1   H  1 
HETATM 1859 C C1    . LIG_I  I  9  .   ? 22.947  7.117   -10.425 1.00 1.78  1   I  1 
HETATM 1860 C C2    . LIG_I  I  9  .   ? 23.930  7.214   -10.104 1.00 1.93  1   I  1 
HETATM 1861 C C3    . LIG_I  I  9  .   ? 24.689  8.002   -10.062 1.00 1.87  1   I  1 
HETATM 1862 C C4    . LIG_I  I  9  .   ? 25.200  8.974   -10.134 1.00 2.05  1   I  1 
HETATM 1863 C C5    . LIG_I  I  9  .   ? 25.689  9.970   -10.265 1.00 1.85  1   I  1 
HETATM 1864 C C6    . LIG_I  I  9  .   ? 26.102  10.986  -10.484 1.00 1.63  1   I  1 
HETATM 1865 C C7    . LIG_I  I  9  .   ? 26.440  11.992  -10.743 1.00 1.60  1   I  1 
HETATM 1866 C C8    . LIG_I  I  9  .   ? 26.691  13.009  -11.068 1.00 1.56  1   I  1 
HETATM 1867 C C9    . LIG_I  I  9  .   ? 26.890  14.011  -11.416 1.00 1.57  1   I  1 
HETATM 1868 C C10   . LIG_I  I  9  .   ? 27.063  15.048  -11.816 1.00 1.64  1   I  1 
HETATM 1869 C C11   . LIG_I  I  9  .   ? 27.225  16.048  -12.235 1.00 1.58  1   I  1 
HETATM 1870 C C12   . LIG_I  I  9  .   ? 27.360  17.047  -12.712 1.00 1.63  1   I  1 
HETATM 1871 C C13   . LIG_I  I  9  .   ? 27.524  18.006  -13.207 1.00 1.36  1   I  1 
HETATM 1872 C C14   . LIG_I  I  9  .   ? 27.678  18.934  -13.797 1.00 1.34  1   I  1 
HETATM 1873 C C15   . LIG_I  I  9  .   ? 27.906  19.820  -14.373 1.00 1.33  1   I  1 
HETATM 1874 C C16   . LIG_I  I  9  .   ? 28.048  20.682  -15.108 1.00 1.29  1   I  1 
HETATM 1875 C C17   . LIG_I  I  9  .   ? 28.346  21.527  -15.687 1.00 1.23  1   I  1 
HETATM 1876 C C18   . LIG_I  I  9  .   ? 28.271  22.354  -16.646 1.00 1.30  1   I  1 
HETATM 1877 O O1    . LIG_I  I  9  .   ? 28.871  23.357  -16.615 1.00 1.52  1   I  1 
HETATM 1878 O O2    . LIG_I  I  9  .   ? 27.527  21.989  -17.543 1.00 1.50  1   I  1 
HETATM 1879 C C19   . LIG_I  I  9  .   ? 27.256  22.814  -18.510 1.00 1.25  1   I  1 
HETATM 1880 C C20   . LIG_I  I  9  .   ? 26.279  22.277  -19.434 1.00 1.24  1   I  1 
HETATM 1881 C C21   . LIG_I  I  9  .   ? 25.685  23.379  -20.211 1.00 1.34  1   I  1 
HETATM 1882 O O3    . LIG_I  I  9  .   ? 26.240  23.510  -21.381 1.00 1.30  1   I  1 
HETATM 1883 P P1    . LIG_I  I  9  .   ? 25.819  24.643  -22.322 1.00 1.35  1   I  1 
HETATM 1884 O O4    . LIG_I  I  9  .   ? 26.366  25.857  -21.854 1.00 1.21  1   I  1 
HETATM 1885 O O5    . LIG_I  I  9  .   ? 26.031  24.200  -23.631 1.00 1.19  1   I  1 
HETATM 1886 O O6    . LIG_I  I  9  .   ? 24.266  24.661  -22.055 1.00 1.32  1   I  1 
HETATM 1887 C C22   . LIG_I  I  9  .   ? 23.501  25.674  -22.185 1.00 1.35  1   I  1 
HETATM 1888 C C23   . LIG_I  I  9  .   ? 22.196  25.401  -21.779 1.00 1.37  1   I  1 
HETATM 1889 N N1    . LIG_I  I  9  .   ? 21.277  26.372  -21.999 1.00 1.84  1   I  1 
HETATM 1890 C C24   . LIG_I  I  9  .   ? 21.628  27.551  -21.295 1.00 1.48  1   I  1 
HETATM 1891 C C25   . LIG_I  I  9  .   ? 21.161  26.649  -23.388 1.00 1.56  1   I  1 
HETATM 1892 C C26   . LIG_I  I  9  .   ? 20.048  25.876  -21.521 1.00 1.62  1   I  1 
HETATM 1893 O O7    . LIG_I  I  9  .   ? 25.253  21.712  -18.730 1.00 1.40  1   I  1 
HETATM 1894 C C27   . LIG_I  I  9  .   ? 24.978  20.571  -19.061 1.00 1.44  1   I  1 
HETATM 1895 O O8    . LIG_I  I  9  .   ? 25.436  20.044  -20.013 1.00 1.38  1   I  1 
HETATM 1896 C C28   . LIG_I  I  9  .   ? 24.182  19.959  -18.298 1.00 1.33  1   I  1 
HETATM 1897 C C29   . LIG_I  I  9  .   ? 23.999  18.919  -18.008 1.00 1.40  1   I  1 
HETATM 1898 C C30   . LIG_I  I  9  .   ? 23.690  18.006  -17.569 1.00 1.31  1   I  1 
HETATM 1899 C C31   . LIG_I  I  9  .   ? 23.410  17.040  -17.170 1.00 1.32  1   I  1 
HETATM 1900 C C32   . LIG_I  I  9  .   ? 23.087  16.107  -16.778 1.00 1.43  1   I  1 
HETATM 1901 C C33   . LIG_I  I  9  .   ? 22.763  15.141  -16.437 1.00 1.41  1   I  1 
HETATM 1902 C C34   . LIG_I  I  9  .   ? 22.409  14.172  -16.117 1.00 1.44  1   I  1 
HETATM 1903 C C35   . LIG_I  I  9  .   ? 22.069  13.197  -15.813 1.00 1.48  1   I  1 
HETATM 1904 C C36   . LIG_I  I  9  .   ? 21.752  12.217  -15.472 1.00 1.54  1   I  1 
HETATM 1905 C C37   . LIG_I  I  9  .   ? 21.483  11.250  -15.105 1.00 1.57  1   I  1 
HETATM 1906 C C38   . LIG_I  I  9  .   ? 21.286  10.287  -14.632 1.00 1.45  1   I  1 
HETATM 1907 C C39   . LIG_I  I  9  .   ? 21.170  9.392   -14.023 1.00 1.52  1   I  1 
HETATM 1908 C C40   . LIG_I  I  9  .   ? 21.064  8.564   -13.324 1.00 1.70  1   I  1 
HETATM 1909 C C41   . LIG_I  I  9  .   ? 20.981  7.808   -12.541 1.00 1.47  1   I  1 
HETATM 1910 C C42   . LIG_I  I  9  .   ? 20.885  7.125   -11.736 1.00 1.47  1   I  1 
HETATM 1911 C C43   . LIG_I  I  9  .   ? 20.704  6.464   -10.937 1.00 1.32  1   I  1 
HETATM 1912 C C44   . LIG_I  I  9  .   ? 20.391  5.751   -10.100 1.00 1.41  1   I  1 
HETATM 1913 C C1    . LIG_J  J  10 .   ? 15.799  15.419  -9.065  1.00 1.65  1   J  1 
HETATM 1914 C C2    . LIG_J  J  10 .   ? 16.202  14.302  -8.917  1.00 1.76  1   J  1 
HETATM 1915 C C3    . LIG_J  J  10 .   ? 16.898  13.835  -9.578  1.00 1.69  1   J  1 
HETATM 1916 C C4    . LIG_J  J  10 .   ? 17.476  14.085  -10.475 1.00 1.92  1   J  1 
HETATM 1917 C C5    . LIG_J  J  10 .   ? 17.936  14.511  -11.368 1.00 1.81  1   J  1 
HETATM 1918 C C6    . LIG_J  J  10 .   ? 18.285  15.052  -12.276 1.00 1.66  1   J  1 
HETATM 1919 C C7    . LIG_J  J  10 .   ? 18.530  15.626  -13.158 1.00 1.58  1   J  1 
HETATM 1920 C C8    . LIG_J  J  10 .   ? 18.681  16.190  -14.075 1.00 1.53  1   J  1 
HETATM 1921 C C9    . LIG_J  J  10 .   ? 18.758  16.697  -15.011 1.00 1.55  1   J  1 
HETATM 1922 C C10   . LIG_J  J  10 .   ? 18.801  17.169  -16.029 1.00 1.62  1   J  1 
HETATM 1923 C C11   . LIG_J  J  10 .   ? 18.815  17.574  -17.045 1.00 1.49  1   J  1 
HETATM 1924 C C12   . LIG_J  J  10 .   ? 18.815  17.947  -18.093 1.00 1.56  1   J  1 
HETATM 1925 C C13   . LIG_J  J  10 .   ? 18.809  18.261  -19.130 1.00 1.32  1   J  1 
HETATM 1926 C C14   . LIG_J  J  10 .   ? 18.769  18.600  -20.189 1.00 1.29  1   J  1 
HETATM 1927 C C15   . LIG_J  J  10 .   ? 18.776  18.868  -21.219 1.00 1.31  1   J  1 
HETATM 1928 C C16   . LIG_J  J  10 .   ? 18.753  19.242  -22.300 1.00 1.27  1   J  1 
HETATM 1929 C C17   . LIG_J  J  10 .   ? 18.852  19.354  -23.341 1.00 1.21  1   J  1 
HETATM 1930 C C18   . LIG_J  J  10 .   ? 18.757  19.979  -24.454 1.00 1.29  1   J  1 
HETATM 1931 O O1    . LIG_J  J  10 .   ? 19.707  20.363  -25.008 1.00 1.53  1   J  1 
HETATM 1932 O O2    . LIG_J  J  10 .   ? 17.604  20.117  -24.838 1.00 1.47  1   J  1 
HETATM 1933 C C19   . LIG_J  J  10 .   ? 17.408  20.876  -25.886 1.00 1.24  1   J  1 
HETATM 1934 C C20   . LIG_J  J  10 .   ? 16.228  21.709  -25.758 1.00 1.25  1   J  1 
HETATM 1935 C C21   . LIG_J  J  10 .   ? 16.046  22.543  -26.962 1.00 1.31  1   J  1 
HETATM 1936 O O3    . LIG_J  J  10 .   ? 15.980  21.841  -28.046 1.00 1.27  1   J  1 
HETATM 1937 P P1    . LIG_J  J  10 .   ? 15.929  22.567  -29.397 1.00 1.30  1   J  1 
HETATM 1938 O O4    . LIG_J  J  10 .   ? 15.729  21.541  -30.379 1.00 1.20  1   J  1 
HETATM 1939 O O5    . LIG_J  J  10 .   ? 16.978  23.459  -29.505 1.00 1.19  1   J  1 
HETATM 1940 O O6    . LIG_J  J  10 .   ? 14.564  23.327  -29.232 1.00 1.30  1   J  1 
HETATM 1941 C C22   . LIG_J  J  10 .   ? 14.228  24.312  -29.953 1.00 1.30  1   J  1 
HETATM 1942 C C23   . LIG_J  J  10 .   ? 12.853  24.558  -30.134 1.00 1.29  1   J  1 
HETATM 1943 N N1    . LIG_J  J  10 .   ? 12.060  24.901  -29.049 1.00 1.87  1   J  1 
HETATM 1944 C C24   . LIG_J  J  10 .   ? 11.787  23.747  -28.278 1.00 1.42  1   J  1 
HETATM 1945 C C25   . LIG_J  J  10 .   ? 12.697  25.878  -28.257 1.00 1.51  1   J  1 
HETATM 1946 C C26   . LIG_J  J  10 .   ? 10.832  25.382  -29.519 1.00 1.50  1   J  1 
HETATM 1947 O O7    . LIG_J  J  10 .   ? 16.400  22.603  -24.753 1.00 1.40  1   J  1 
HETATM 1948 C C27   . LIG_J  J  10 .   ? 15.719  22.439  -23.759 1.00 1.44  1   J  1 
HETATM 1949 O O8    . LIG_J  J  10 .   ? 15.013  21.477  -23.591 1.00 1.37  1   J  1 
HETATM 1950 C C28   . LIG_J  J  10 .   ? 15.847  23.343  -22.895 1.00 1.31  1   J  1 
HETATM 1951 C C29   . LIG_J  J  10 .   ? 15.657  23.438  -21.815 1.00 1.38  1   J  1 
HETATM 1952 C C30   . LIG_J  J  10 .   ? 15.567  23.765  -20.802 1.00 1.31  1   J  1 
HETATM 1953 C C31   . LIG_J  J  10 .   ? 15.376  23.833  -19.718 1.00 1.31  1   J  1 
HETATM 1954 C C32   . LIG_J  J  10 .   ? 15.193  23.832  -18.658 1.00 1.42  1   J  1 
HETATM 1955 C C33   . LIG_J  J  10 .   ? 14.999  23.720  -17.592 1.00 1.43  1   J  1 
HETATM 1956 C C34   . LIG_J  J  10 .   ? 14.828  23.473  -16.542 1.00 1.45  1   J  1 
HETATM 1957 C C35   . LIG_J  J  10 .   ? 14.689  23.099  -15.535 1.00 1.47  1   J  1 
HETATM 1958 C C36   . LIG_J  J  10 .   ? 14.607  22.549  -14.577 1.00 1.56  1   J  1 
HETATM 1959 C C37   . LIG_J  J  10 .   ? 14.580  21.896  -13.688 1.00 1.59  1   J  1 
HETATM 1960 C C38   . LIG_J  J  10 .   ? 14.594  21.149  -12.839 1.00 1.45  1   J  1 
HETATM 1961 C C39   . LIG_J  J  10 .   ? 14.642  20.368  -12.020 1.00 1.50  1   J  1 
HETATM 1962 C C40   . LIG_J  J  10 .   ? 14.706  19.572  -11.226 1.00 1.60  1   J  1 
HETATM 1963 C C41   . LIG_J  J  10 .   ? 14.744  18.761  -10.441 1.00 1.43  1   J  1 
HETATM 1964 C C42   . LIG_J  J  10 .   ? 14.736  18.017  -9.650  1.00 1.40  1   J  1 
HETATM 1965 C C43   . LIG_J  J  10 .   ? 14.688  17.334  -8.846  1.00 1.31  1   J  1 
HETATM 1966 C C44   . LIG_J  J  10 .   ? 14.462  16.713  -7.844  1.00 1.38  1   J  1 
HETATM 1967 C C1    . LIG_K  K  11 .   ? 7.935   14.282  -17.177 1.00 1.94  1   K  1 
HETATM 1968 C C2    . LIG_K  K  11 .   ? 7.966   14.151  -18.096 1.00 2.04  1   K  1 
HETATM 1969 C C3    . LIG_K  K  11 .   ? 7.187   13.750  -18.730 1.00 1.88  1   K  1 
HETATM 1970 C C4    . LIG_K  K  11 .   ? 6.188   13.432  -18.943 1.00 2.18  1   K  1 
HETATM 1971 C C5    . LIG_K  K  11 .   ? 5.175   13.128  -19.152 1.00 1.99  1   K  1 
HETATM 1972 C C6    . LIG_K  K  11 .   ? 4.139   12.830  -19.298 1.00 1.74  1   K  1 
HETATM 1973 C C7    . LIG_K  K  11 .   ? 3.117   12.542  -19.450 1.00 1.67  1   K  1 
HETATM 1974 C C8    . LIG_K  K  11 .   ? 2.084   12.246  -19.636 1.00 1.63  1   K  1 
HETATM 1975 C C9    . LIG_K  K  11 .   ? 1.082   11.930  -19.878 1.00 1.65  1   K  1 
HETATM 1976 C C10   . LIG_K  K  11 .   ? 0.042   11.587  -20.161 1.00 1.70  1   K  1 
HETATM 1977 C C11   . LIG_K  K  11 .   ? -0.971  11.289  -20.497 1.00 1.63  1   K  1 
HETATM 1978 C C12   . LIG_K  K  11 .   ? -2.008  10.993  -20.812 1.00 1.57  1   K  1 
HETATM 1979 C C13   . LIG_K  K  11 .   ? -3.030  10.779  -21.180 1.00 1.33  1   K  1 
HETATM 1980 C C14   . LIG_K  K  11 .   ? -4.091  10.519  -21.438 1.00 1.31  1   K  1 
HETATM 1981 C C15   . LIG_K  K  11 .   ? -5.140  10.404  -21.795 1.00 1.31  1   K  1 
HETATM 1982 C C16   . LIG_K  K  11 .   ? -6.262  10.104  -21.845 1.00 1.31  1   K  1 
HETATM 1983 C C17   . LIG_K  K  11 .   ? -7.353  10.068  -22.132 1.00 1.25  1   K  1 
HETATM 1984 C C18   . LIG_K  K  11 .   ? -8.440  9.465   -21.725 1.00 1.29  1   K  1 
HETATM 1985 O O1    . LIG_K  K  11 .   ? -9.498  9.975   -21.796 1.00 1.56  1   K  1 
HETATM 1986 O O2    . LIG_K  K  11 .   ? -8.228  8.344   -21.232 1.00 1.51  1   K  1 
HETATM 1987 C C19   . LIG_K  K  11 .   ? -9.239  7.701   -20.646 1.00 1.21  1   K  1 
HETATM 1988 C C20   . LIG_K  K  11 .   ? -8.732  6.820   -19.592 1.00 1.23  1   K  1 
HETATM 1989 C C21   . LIG_K  K  11 .   ? -9.819  6.285   -18.754 1.00 1.24  1   K  1 
HETATM 1990 O O3    . LIG_K  K  11 .   ? -10.821 5.820   -19.412 1.00 1.25  1   K  1 
HETATM 1991 P P1    . LIG_K  K  11 .   ? -11.822 4.897   -18.688 1.00 1.19  1   K  1 
HETATM 1992 O O4    . LIG_K  K  11 .   ? -13.090 5.093   -19.294 1.00 1.16  1   K  1 
HETATM 1993 O O5    . LIG_K  K  11 .   ? -11.721 4.975   -17.313 1.00 1.14  1   K  1 
HETATM 1994 O O6    . LIG_K  K  11 .   ? -11.211 3.551   -19.135 1.00 1.27  1   K  1 
HETATM 1995 C C22   . LIG_K  K  11 .   ? -11.900 2.608   -19.681 1.00 1.26  1   K  1 
HETATM 1996 C C23   . LIG_K  K  11 .   ? -11.128 1.754   -20.465 1.00 1.26  1   K  1 
HETATM 1997 N N1    . LIG_K  K  11 .   ? -10.338 0.819   -19.836 1.00 1.75  1   K  1 
HETATM 1998 C C24   . LIG_K  K  11 .   ? -10.988 0.305   -18.678 1.00 1.26  1   K  1 
HETATM 1999 C C25   . LIG_K  K  11 .   ? -10.111 -0.219  -20.733 1.00 1.30  1   K  1 
HETATM 2000 C C26   . LIG_K  K  11 .   ? -9.109  1.432   -19.476 1.00 1.39  1   K  1 
HETATM 2001 O O7    . LIG_K  K  11 .   ? -8.000  7.619   -18.759 1.00 1.42  1   K  1 
HETATM 2002 C C27   . LIG_K  K  11 .   ? -7.234  7.052   -17.988 1.00 1.43  1   K  1 
HETATM 2003 O O8    . LIG_K  K  11 .   ? -7.319  5.911   -17.674 1.00 1.36  1   K  1 
HETATM 2004 C C28   . LIG_K  K  11 .   ? -6.318  7.822   -17.594 1.00 1.31  1   K  1 
HETATM 2005 C C29   . LIG_K  K  11 .   ? -5.339  7.839   -17.148 1.00 1.39  1   K  1 
HETATM 2006 C C30   . LIG_K  K  11 .   ? -4.335  8.163   -16.866 1.00 1.40  1   K  1 
HETATM 2007 C C31   . LIG_K  K  11 .   ? -3.309  8.349   -16.586 1.00 1.35  1   K  1 
HETATM 2008 C C32   . LIG_K  K  11 .   ? -2.281  8.621   -16.356 1.00 1.48  1   K  1 
HETATM 2009 C C33   . LIG_K  K  11 .   ? -1.245  8.904   -16.158 1.00 1.48  1   K  1 
HETATM 2010 C C34   . LIG_K  K  11 .   ? -0.215  9.260   -15.962 1.00 1.52  1   K  1 
HETATM 2011 C C35   . LIG_K  K  11 .   ? 0.782   9.673   -15.793 1.00 1.48  1   K  1 
HETATM 2012 C C36   . LIG_K  K  11 .   ? 1.766   10.166  -15.654 1.00 1.60  1   K  1 
HETATM 2013 C C37   . LIG_K  K  11 .   ? 2.731   10.700  -15.550 1.00 1.63  1   K  1 
HETATM 2014 C C38   . LIG_K  K  11 .   ? 3.689   11.269  -15.485 1.00 1.47  1   K  1 
HETATM 2015 C C39   . LIG_K  K  11 .   ? 4.646   11.851  -15.453 1.00 1.55  1   K  1 
HETATM 2016 C C40   . LIG_K  K  11 .   ? 5.577   12.450  -15.467 1.00 1.70  1   K  1 
HETATM 2017 C C41   . LIG_K  K  11 .   ? 6.494   13.053  -15.509 1.00 1.43  1   K  1 
HETATM 2018 C C42   . LIG_K  K  11 .   ? 7.380   13.648  -15.563 1.00 1.42  1   K  1 
HETATM 2019 C C43   . LIG_K  K  11 .   ? 8.269   14.245  -15.541 1.00 1.31  1   K  1 
HETATM 2020 C C44   . LIG_K  K  11 .   ? 9.207   14.902  -15.504 1.00 1.42  1   K  1 
HETATM 2021 C C1    . LIG_L  L  12 .   ? -2.140  19.995  -4.751  1.00 1.97  1   L  1 
HETATM 2022 C C2    . LIG_L  L  12 .   ? -3.152  19.783  -4.777  1.00 2.13  1   L  1 
HETATM 2023 C C3    . LIG_L  L  12 .   ? -4.141  20.101  -5.190  1.00 1.90  1   L  1 
HETATM 2024 C C4    . LIG_L  L  12 .   ? -4.905  20.682  -5.700  1.00 2.18  1   L  1 
HETATM 2025 C C5    . LIG_L  L  12 .   ? -5.756  21.184  -6.206  1.00 1.85  1   L  1 
HETATM 2026 C C6    . LIG_L  L  12 .   ? -6.618  21.651  -6.739  1.00 1.73  1   L  1 
HETATM 2027 C C7    . LIG_L  L  12 .   ? -7.503  22.036  -7.263  1.00 1.68  1   L  1 
HETATM 2028 C C8    . LIG_L  L  12 .   ? -8.414  22.387  -7.766  1.00 1.65  1   L  1 
HETATM 2029 C C9    . LIG_L  L  12 .   ? -9.341  22.675  -8.229  1.00 1.63  1   L  1 
HETATM 2030 C C10   . LIG_L  L  12 .   ? -10.317 22.947  -8.709  1.00 1.67  1   L  1 
HETATM 2031 C C11   . LIG_L  L  12 .   ? -11.302 23.187  -9.147  1.00 1.57  1   L  1 
HETATM 2032 C C12   . LIG_L  L  12 .   ? -12.290 23.345  -9.626  1.00 1.54  1   L  1 
HETATM 2033 C C13   . LIG_L  L  12 .   ? -13.223 23.345  -10.177 1.00 1.32  1   L  1 
HETATM 2034 C C14   . LIG_L  L  12 .   ? -14.007 23.001  -10.895 1.00 1.31  1   L  1 
HETATM 2035 C C15   . LIG_L  L  12 .   ? -14.520 22.417  -11.621 1.00 1.30  1   L  1 
HETATM 2036 C C16   . LIG_L  L  12 .   ? -14.980 21.676  -12.394 1.00 1.29  1   L  1 
HETATM 2037 C C17   . LIG_L  L  12 .   ? -15.039 20.828  -13.000 1.00 1.24  1   L  1 
HETATM 2038 C C18   . LIG_L  L  12 .   ? -15.566 20.001  -13.828 1.00 1.28  1   L  1 
HETATM 2039 O O1    . LIG_L  L  12 .   ? -16.617 20.199  -14.318 1.00 1.51  1   L  1 
HETATM 2040 O O2    . LIG_L  L  12 .   ? -14.825 19.030  -14.021 1.00 1.51  1   L  1 
HETATM 2041 C C19   . LIG_L  L  12 .   ? -15.292 18.051  -14.743 1.00 1.23  1   L  1 
HETATM 2042 C C20   . LIG_L  L  12 .   ? -14.242 17.199  -15.256 1.00 1.25  1   L  1 
HETATM 2043 C C21   . LIG_L  L  12 .   ? -14.854 15.952  -15.769 1.00 1.27  1   L  1 
HETATM 2044 O O3    . LIG_L  L  12 .   ? -14.549 15.809  -17.031 1.00 1.27  1   L  1 
HETATM 2045 P P1    . LIG_L  L  12 .   ? -15.095 14.713  -17.932 1.00 1.21  1   L  1 
HETATM 2046 O O4    . LIG_L  L  12 .   ? -16.266 15.183  -18.557 1.00 1.16  1   L  1 
HETATM 2047 O O5    . LIG_L  L  12 .   ? -15.128 13.479  -17.292 1.00 1.14  1   L  1 
HETATM 2048 O O6    . LIG_L  L  12 .   ? -13.872 14.747  -18.830 1.00 1.28  1   L  1 
HETATM 2049 C C22   . LIG_L  L  12 .   ? -13.823 14.811  -19.989 1.00 1.27  1   L  1 
HETATM 2050 C C23   . LIG_L  L  12 .   ? -12.653 15.100  -20.590 1.00 1.26  1   L  1 
HETATM 2051 N N1    . LIG_L  L  12 .   ? -12.452 14.540  -21.814 1.00 1.77  1   L  1 
HETATM 2052 C C24   . LIG_L  L  12 .   ? -11.368 15.183  -22.404 1.00 1.28  1   L  1 
HETATM 2053 C C25   . LIG_L  L  12 .   ? -13.607 14.677  -22.638 1.00 1.36  1   L  1 
HETATM 2054 C C26   . LIG_L  L  12 .   ? -12.164 13.163  -21.641 1.00 1.38  1   L  1 
HETATM 2055 O O7    . LIG_L  L  12 .   ? -13.379 16.858  -14.248 1.00 1.42  1   L  1 
HETATM 2056 C C27   . LIG_L  L  12 .   ? -12.177 17.002  -14.550 1.00 1.41  1   L  1 
HETATM 2057 O O8    . LIG_L  L  12 .   ? -11.821 17.109  -15.680 1.00 1.39  1   L  1 
HETATM 2058 C C28   . LIG_L  L  12 .   ? -11.364 17.067  -13.572 1.00 1.31  1   L  1 
HETATM 2059 C C29   . LIG_L  L  12 .   ? -10.328 17.502  -13.428 1.00 1.37  1   L  1 
HETATM 2060 C C30   . LIG_L  L  12 .   ? -9.423  17.921  -12.983 1.00 1.37  1   L  1 
HETATM 2061 C C31   . LIG_L  L  12 .   ? -8.496  18.462  -12.693 1.00 1.35  1   L  1 
HETATM 2062 C C32   . LIG_L  L  12 .   ? -7.648  19.018  -12.286 1.00 1.49  1   L  1 
HETATM 2063 C C33   . LIG_L  L  12 .   ? -6.810  19.633  -11.897 1.00 1.49  1   L  1 
HETATM 2064 C C34   . LIG_L  L  12 .   ? -5.996  20.203  -11.411 1.00 1.50  1   L  1 
HETATM 2065 C C35   . LIG_L  L  12 .   ? -5.206  20.724  -10.840 1.00 1.51  1   L  1 
HETATM 2066 C C36   . LIG_L  L  12 .   ? -4.437  21.151  -10.174 1.00 1.63  1   L  1 
HETATM 2067 C C37   . LIG_L  L  12 .   ? -3.686  21.464  -9.439  1.00 1.68  1   L  1 
HETATM 2068 C C38   . LIG_L  L  12 .   ? -2.932  21.659  -8.677  1.00 1.52  1   L  1 
HETATM 2069 C C39   . LIG_L  L  12 .   ? -2.173  21.679  -7.892  1.00 1.56  1   L  1 
HETATM 2070 C C40   . LIG_L  L  12 .   ? -1.447  21.450  -7.129  1.00 1.77  1   L  1 
HETATM 2071 C C41   . LIG_L  L  12 .   ? -0.773  21.068  -6.382  1.00 1.48  1   L  1 
HETATM 2072 C C42   . LIG_L  L  12 .   ? -0.165  20.642  -5.706  1.00 1.47  1   L  1 
HETATM 2073 C C43   . LIG_L  L  12 .   ? 0.543   20.276  -5.046  1.00 1.32  1   L  1 
HETATM 2074 C C44   . LIG_L  L  12 .   ? 1.320   19.924  -4.425  1.00 1.39  1   L  1 
HETATM 2075 C C1    . LIG_M  M  13 .   ? 11.773  9.349   -10.149 1.00 1.70  1   M  1 
HETATM 2076 C C2    . LIG_M  M  13 .   ? 12.233  9.774   -10.990 1.00 1.81  1   M  1 
HETATM 2077 C C3    . LIG_M  M  13 .   ? 11.735  9.729   -11.965 1.00 1.73  1   M  1 
HETATM 2078 C C4    . LIG_M  M  13 .   ? 10.890  9.415   -12.586 1.00 2.00  1   M  1 
HETATM 2079 C C5    . LIG_M  M  13 .   ? 10.042  9.087   -13.237 1.00 1.87  1   M  1 
HETATM 2080 C C6    . LIG_M  M  13 .   ? 9.140   8.695   -13.773 1.00 1.74  1   M  1 
HETATM 2081 C C7    . LIG_M  M  13 .   ? 8.251   8.302   -14.288 1.00 1.61  1   M  1 
HETATM 2082 C C8    . LIG_M  M  13 .   ? 7.350   7.898   -14.796 1.00 1.63  1   M  1 
HETATM 2083 C C9    . LIG_M  M  13 .   ? 6.461   7.529   -15.319 1.00 1.62  1   M  1 
HETATM 2084 C C10   . LIG_M  M  13 .   ? 5.534   7.156   -15.878 1.00 1.70  1   M  1 
HETATM 2085 C C11   . LIG_M  M  13 .   ? 4.635   6.802   -16.440 1.00 1.60  1   M  1 
HETATM 2086 C C12   . LIG_M  M  13 .   ? 3.699   6.445   -17.001 1.00 1.62  1   M  1 
HETATM 2087 C C13   . LIG_M  M  13 .   ? 2.800   6.098   -17.575 1.00 1.36  1   M  1 
HETATM 2088 C C14   . LIG_M  M  13 .   ? 1.878   5.718   -18.146 1.00 1.35  1   M  1 
HETATM 2089 C C15   . LIG_M  M  13 .   ? 1.028   5.374   -18.736 1.00 1.32  1   M  1 
HETATM 2090 C C16   . LIG_M  M  13 .   ? 0.125   4.977   -19.369 1.00 1.32  1   M  1 
HETATM 2091 C C17   . LIG_M  M  13 .   ? -0.580  4.675   -20.055 1.00 1.25  1   M  1 
HETATM 2092 C C18   . LIG_M  M  13 .   ? -1.555  4.226   -20.735 1.00 1.31  1   M  1 
HETATM 2093 O O1    . LIG_M  M  13 .   ? -1.516  4.259   -21.896 1.00 1.62  1   M  1 
HETATM 2094 O O2    . LIG_M  M  13 .   ? -2.467  3.755   -20.075 1.00 1.59  1   M  1 
HETATM 2095 C C19   . LIG_M  M  13 .   ? -3.479  3.266   -20.727 1.00 1.22  1   M  1 
HETATM 2096 C C20   . LIG_M  M  13 .   ? -4.441  2.593   -19.884 1.00 1.22  1   M  1 
HETATM 2097 C C21   . LIG_M  M  13 .   ? -5.686  2.328   -20.666 1.00 1.24  1   M  1 
HETATM 2098 O O3    . LIG_M  M  13 .   ? -5.367  1.774   -21.852 1.00 1.28  1   M  1 
HETATM 2099 P P1    . LIG_M  M  13 .   ? -6.418  1.273   -22.879 1.00 1.20  1   M  1 
HETATM 2100 O O4    . LIG_M  M  13 .   ? -7.725  1.506   -22.411 1.00 1.17  1   M  1 
HETATM 2101 O O5    . LIG_M  M  13 .   ? -6.037  1.713   -24.162 1.00 1.15  1   M  1 
HETATM 2102 O O6    . LIG_M  M  13 .   ? -6.050  -0.239  -22.809 1.00 1.29  1   M  1 
HETATM 2103 C C22   . LIG_M  M  13 .   ? -6.750  -1.152  -22.291 1.00 1.28  1   M  1 
HETATM 2104 C C23   . LIG_M  M  13 .   ? -6.113  -2.386  -22.327 1.00 1.26  1   M  1 
HETATM 2105 N N1    . LIG_M  M  13 .   ? -6.895  -3.502  -22.226 1.00 1.73  1   M  1 
HETATM 2106 C C24   . LIG_M  M  13 .   ? -6.030  -4.589  -21.994 1.00 1.27  1   M  1 
HETATM 2107 C C25   . LIG_M  M  13 .   ? -7.584  -3.714  -23.459 1.00 1.32  1   M  1 
HETATM 2108 C C26   . LIG_M  M  13 .   ? -7.814  -3.380  -21.160 1.00 1.37  1   M  1 
HETATM 2109 O O7    . LIG_M  M  13 .   ? -4.749  3.427   -18.823 1.00 1.42  1   M  1 
HETATM 2110 C C27   . LIG_M  M  13 .   ? -4.610  2.905   -17.668 1.00 1.44  1   M  1 
HETATM 2111 O O8    . LIG_M  M  13 .   ? -4.751  1.735   -17.495 1.00 1.41  1   M  1 
HETATM 2112 C C28   . LIG_M  M  13 .   ? -4.237  3.711   -16.692 1.00 1.33  1   M  1 
HETATM 2113 C C29   . LIG_M  M  13 .   ? -3.418  3.801   -15.873 1.00 1.41  1   M  1 
HETATM 2114 C C30   . LIG_M  M  13 .   ? -2.708  4.181   -15.069 1.00 1.47  1   M  1 
HETATM 2115 C C31   . LIG_M  M  13 .   ? -1.892  4.442   -14.305 1.00 1.45  1   M  1 
HETATM 2116 C C32   . LIG_M  M  13 .   ? -1.091  4.794   -13.580 1.00 1.60  1   M  1 
HETATM 2117 C C33   . LIG_M  M  13 .   ? -0.213  5.121   -12.899 1.00 1.56  1   M  1 
HETATM 2118 C C34   . LIG_M  M  13 .   ? 0.701   5.461   -12.279 1.00 1.58  1   M  1 
HETATM 2119 C C35   . LIG_M  M  13 .   ? 1.670   5.777   -11.726 1.00 1.55  1   M  1 
HETATM 2120 C C36   . LIG_M  M  13 .   ? 2.678   6.099   -11.233 1.00 1.67  1   M  1 
HETATM 2121 C C37   . LIG_M  M  13 .   ? 3.733   6.417   -10.800 1.00 1.68  1   M  1 
HETATM 2122 C C38   . LIG_M  M  13 .   ? 4.812   6.734   -10.413 1.00 1.53  1   M  1 
HETATM 2123 C C39   . LIG_M  M  13 .   ? 5.920   7.063   -10.056 1.00 1.57  1   M  1 
HETATM 2124 C C40   . LIG_M  M  13 .   ? 7.019   7.391   -9.717  1.00 1.79  1   M  1 
HETATM 2125 C C41   . LIG_M  M  13 .   ? 8.116   7.718   -9.376  1.00 1.50  1   M  1 
HETATM 2126 C C42   . LIG_M  M  13 .   ? 9.130   8.026   -8.996  1.00 1.42  1   M  1 
HETATM 2127 C C43   . LIG_M  M  13 .   ? 10.099  8.300   -8.525  1.00 1.30  1   M  1 
HETATM 2128 C C44   . LIG_M  M  13 .   ? 11.078  8.562   -7.845  1.00 1.36  1   M  1 
HETATM 2129 C C1    . LIG_N  N  14 .   ? 10.228  13.249  -9.448  1.00 1.70  1   N  1 
HETATM 2130 C C2    . LIG_N  N  14 .   ? 10.128  13.421  -10.519 1.00 1.85  1   N  1 
HETATM 2131 C C3    . LIG_N  N  14 .   ? 9.269   13.202  -11.228 1.00 1.72  1   N  1 
HETATM 2132 C C4    . LIG_N  N  14 .   ? 8.259   12.821  -11.410 1.00 1.96  1   N  1 
HETATM 2133 C C5    . LIG_N  N  14 .   ? 7.218   12.426  -11.536 1.00 1.82  1   N  1 
HETATM 2134 C C6    . LIG_N  N  14 .   ? 6.175   12.017  -11.545 1.00 1.66  1   N  1 
HETATM 2135 C C7    . LIG_N  N  14 .   ? 5.137   11.635  -11.510 1.00 1.61  1   N  1 
HETATM 2136 C C8    . LIG_N  N  14 .   ? 4.099   11.254  -11.442 1.00 1.63  1   N  1 
HETATM 2137 C C9    . LIG_N  N  14 .   ? 3.065   10.905  -11.366 1.00 1.64  1   N  1 
HETATM 2138 C C10   . LIG_N  N  14 .   ? 1.982   10.540  -11.267 1.00 1.75  1   N  1 
HETATM 2139 C C11   . LIG_N  N  14 .   ? 0.935   10.168  -11.203 1.00 1.67  1   N  1 
HETATM 2140 C C12   . LIG_N  N  14 .   ? -0.121  9.755   -11.123 1.00 1.73  1   N  1 
HETATM 2141 C C13   . LIG_N  N  14 .   ? -1.155  9.338   -11.106 1.00 1.43  1   N  1 
HETATM 2142 C C14   . LIG_N  N  14 .   ? -2.186  8.864   -11.044 1.00 1.42  1   N  1 
HETATM 2143 C C15   . LIG_N  N  14 .   ? -3.176  8.426   -11.072 1.00 1.39  1   N  1 
HETATM 2144 C C16   . LIG_N  N  14 .   ? -4.206  7.898   -11.002 1.00 1.40  1   N  1 
HETATM 2145 C C17   . LIG_N  N  14 .   ? -5.167  7.514   -11.195 1.00 1.28  1   N  1 
HETATM 2146 C C18   . LIG_N  N  14 .   ? -6.242  6.933   -10.890 1.00 1.39  1   N  1 
HETATM 2147 O O1    . LIG_N  N  14 .   ? -7.145  6.919   -11.639 1.00 1.67  1   N  1 
HETATM 2148 O O2    . LIG_N  N  14 .   ? -6.222  6.412   -9.779  1.00 1.66  1   N  1 
HETATM 2149 C C19   . LIG_N  N  14 .   ? -7.324  5.871   -9.393  1.00 1.31  1   N  1 
HETATM 2150 C C20   . LIG_N  N  14 .   ? -7.242  4.980   -8.289  1.00 1.39  1   N  1 
HETATM 2151 C C21   . LIG_N  N  14 .   ? -8.634  4.756   -7.802  1.00 1.39  1   N  1 
HETATM 2152 O O3    . LIG_N  N  14 .   ? -9.301  4.045   -8.728  1.00 1.36  1   N  1 
HETATM 2153 P P1    . LIG_N  N  14 .   ? -10.845 4.043   -8.849  1.00 1.30  1   N  1 
HETATM 2154 O O4    . LIG_N  N  14 .   ? -11.199 2.791   -9.463  1.00 1.20  1   N  1 
HETATM 2155 O O5    . LIG_N  N  14 .   ? -11.474 4.459   -7.683  1.00 1.22  1   N  1 
HETATM 2156 O O6    . LIG_N  N  14 .   ? -11.021 5.152   -9.883  1.00 1.37  1   N  1 
HETATM 2157 C C22   . LIG_N  N  14 .   ? -11.606 5.008   -11.025 1.00 1.34  1   N  1 
HETATM 2158 C C23   . LIG_N  N  14 .   ? -11.206 5.920   -12.010 1.00 1.31  1   N  1 
HETATM 2159 N N1    . LIG_N  N  14 .   ? -11.634 5.681   -13.319 1.00 1.80  1   N  1 
HETATM 2160 C C24   . LIG_N  N  14 .   ? -13.031 5.943   -13.418 1.00 1.29  1   N  1 
HETATM 2161 C C25   . LIG_N  N  14 .   ? -10.932 6.540   -14.164 1.00 1.36  1   N  1 
HETATM 2162 C C26   . LIG_N  N  14 .   ? -11.386 4.333   -13.682 1.00 1.37  1   N  1 
HETATM 2163 O O7    . LIG_N  N  14 .   ? -6.514  5.534   -7.259  1.00 1.55  1   N  1 
HETATM 2164 C C27   . LIG_N  N  14 .   ? -5.436  4.918   -6.969  1.00 1.69  1   N  1 
HETATM 2165 O O8    . LIG_N  N  14 .   ? -5.158  3.865   -7.468  1.00 1.59  1   N  1 
HETATM 2166 C C28   . LIG_N  N  14 .   ? -4.613  5.518   -6.144  1.00 1.49  1   N  1 
HETATM 2167 C C29   . LIG_N  N  14 .   ? -3.461  5.729   -6.189  1.00 1.56  1   N  1 
HETATM 2168 C C30   . LIG_N  N  14 .   ? -2.411  6.078   -6.206  1.00 1.59  1   N  1 
HETATM 2169 C C31   . LIG_N  N  14 .   ? -1.335  6.435   -6.361  1.00 1.49  1   N  1 
HETATM 2170 C C32   . LIG_N  N  14 .   ? -0.323  6.863   -6.535  1.00 1.64  1   N  1 
HETATM 2171 C C33   . LIG_N  N  14 .   ? 0.694   7.323   -6.743  1.00 1.57  1   N  1 
HETATM 2172 C C34   . LIG_N  N  14 .   ? 1.692   7.838   -6.927  1.00 1.62  1   N  1 
HETATM 2173 C C35   . LIG_N  N  14 .   ? 2.683   8.396   -7.078  1.00 1.56  1   N  1 
HETATM 2174 C C36   . LIG_N  N  14 .   ? 3.677   8.968   -7.192  1.00 1.63  1   N  1 
HETATM 2175 C C37   . LIG_N  N  14 .   ? 4.682   9.544   -7.261  1.00 1.64  1   N  1 
HETATM 2176 C C38   . LIG_N  N  14 .   ? 5.691   10.121  -7.278  1.00 1.50  1   N  1 
HETATM 2177 C C39   . LIG_N  N  14 .   ? 6.712   10.693  -7.281  1.00 1.55  1   N  1 
HETATM 2178 C C40   . LIG_N  N  14 .   ? 7.719   11.251  -7.272  1.00 1.61  1   N  1 
HETATM 2179 C C41   . LIG_N  N  14 .   ? 8.722   11.803  -7.265  1.00 1.41  1   N  1 
HETATM 2180 C C42   . LIG_N  N  14 .   ? 9.671   12.334  -7.233  1.00 1.37  1   N  1 
HETATM 2181 C C43   . LIG_N  N  14 .   ? 10.635  12.842  -7.141  1.00 1.26  1   N  1 
HETATM 2182 C C44   . LIG_N  N  14 .   ? 11.637  13.385  -6.943  1.00 1.34  1   N  1 
HETATM 2183 C C1    . LIG_O  O  15 .   ? 12.604  19.344  -2.164  1.00 1.70  1   O  1 
HETATM 2184 C C2    . LIG_O  O  15 .   ? 12.774  19.739  -1.395  1.00 1.84  1   O  1 
HETATM 2185 C C3    . LIG_O  O  15 .   ? 12.933  20.730  -1.025  1.00 1.76  1   O  1 
HETATM 2186 C C4    . LIG_O  O  15 .   ? 13.026  21.760  -0.968  1.00 2.02  1   O  1 
HETATM 2187 C C5    . LIG_O  O  15 .   ? 13.178  22.814  -0.987  1.00 1.88  1   O  1 
HETATM 2188 C C6    . LIG_O  O  15 .   ? 13.457  23.825  -1.184  1.00 1.72  1   O  1 
HETATM 2189 C C7    . LIG_O  O  15 .   ? 13.983  24.704  -1.409  1.00 1.65  1   O  1 
HETATM 2190 C C8    . LIG_O  O  15 .   ? 14.722  25.424  -1.660  1.00 1.62  1   O  1 
HETATM 2191 C C9    . LIG_O  O  15 .   ? 15.571  26.004  -1.866  1.00 1.65  1   O  1 
HETATM 2192 C C10   . LIG_O  O  15 .   ? 16.508  26.553  -2.051  1.00 1.68  1   O  1 
HETATM 2193 C C11   . LIG_O  O  15 .   ? 17.479  27.000  -2.155  1.00 1.63  1   O  1 
HETATM 2194 C C12   . LIG_O  O  15 .   ? 18.503  27.398  -2.244  1.00 1.62  1   O  1 
HETATM 2195 C C13   . LIG_O  O  15 .   ? 19.533  27.695  -2.220  1.00 1.36  1   O  1 
HETATM 2196 C C14   . LIG_O  O  15 .   ? 20.590  27.991  -2.254  1.00 1.33  1   O  1 
HETATM 2197 C C15   . LIG_O  O  15 .   ? 21.650  28.203  -2.114  1.00 1.30  1   O  1 
HETATM 2198 C C16   . LIG_O  O  15 .   ? 22.752  28.508  -2.190  1.00 1.29  1   O  1 
HETATM 2199 C C17   . LIG_O  O  15 .   ? 23.832  28.702  -1.893  1.00 1.23  1   O  1 
HETATM 2200 C C18   . LIG_O  O  15 .   ? 24.901  29.202  -2.402  1.00 1.31  1   O  1 
HETATM 2201 O O1    . LIG_O  O  15 .   ? 25.847  29.484  -1.769  1.00 1.53  1   O  1 
HETATM 2202 O O2    . LIG_O  O  15 .   ? 24.749  29.341  -3.594  1.00 1.52  1   O  1 
HETATM 2203 C C19   . LIG_O  O  15 .   ? 25.643  29.956  -4.300  1.00 1.26  1   O  1 
HETATM 2204 C C20   . LIG_O  O  15 .   ? 25.144  30.142  -5.660  1.00 1.27  1   O  1 
HETATM 2205 C C21   . LIG_O  O  15 .   ? 26.138  30.869  -6.457  1.00 1.35  1   O  1 
HETATM 2206 O O3    . LIG_O  O  15 .   ? 26.959  30.025  -7.048  1.00 1.30  1   O  1 
HETATM 2207 P P1    . LIG_O  O  15 .   ? 27.997  30.537  -8.061  1.00 1.38  1   O  1 
HETATM 2208 O O4    . LIG_O  O  15 .   ? 28.730  31.617  -7.495  1.00 1.22  1   O  1 
HETATM 2209 O O5    . LIG_O  O  15 .   ? 28.648  29.431  -8.594  1.00 1.20  1   O  1 
HETATM 2210 O O6    . LIG_O  O  15 .   ? 27.030  31.090  -9.139  1.00 1.34  1   O  1 
HETATM 2211 C C22   . LIG_O  O  15 .   ? 27.291  32.045  -9.940  1.00 1.37  1   O  1 
HETATM 2212 C C23   . LIG_O  O  15 .   ? 26.187  32.464  -10.674 1.00 1.38  1   O  1 
HETATM 2213 N N1    . LIG_O  O  15 .   ? 26.410  33.385  -11.658 1.00 1.82  1   O  1 
HETATM 2214 C C24   . LIG_O  O  15 .   ? 27.189  32.803  -12.686 1.00 1.49  1   O  1 
HETATM 2215 C C25   . LIG_O  O  15 .   ? 27.084  34.517  -11.126 1.00 1.59  1   O  1 
HETATM 2216 C C26   . LIG_O  O  15 .   ? 25.152  33.738  -12.169 1.00 1.66  1   O  1 
HETATM 2217 O O7    . LIG_O  O  15 .   ? 23.988  30.882  -5.626  1.00 1.44  1   O  1 
HETATM 2218 C C27   . LIG_O  O  15 .   ? 22.992  30.332  -6.112  1.00 1.50  1   O  1 
HETATM 2219 O O8    . LIG_O  O  15 .   ? 23.087  29.287  -6.699  1.00 1.39  1   O  1 
HETATM 2220 C C28   . LIG_O  O  15 .   ? 21.845  30.905  -5.940  1.00 1.33  1   O  1 
HETATM 2221 C C29   . LIG_O  O  15 .   ? 20.769  30.433  -6.073  1.00 1.39  1   O  1 
HETATM 2222 C C30   . LIG_O  O  15 .   ? 19.864  29.895  -6.184  1.00 1.31  1   O  1 
HETATM 2223 C C31   . LIG_O  O  15 .   ? 18.903  29.319  -6.314  1.00 1.33  1   O  1 
HETATM 2224 C C32   . LIG_O  O  15 .   ? 18.024  28.696  -6.427  1.00 1.45  1   O  1 
HETATM 2225 C C33   . LIG_O  O  15 .   ? 17.165  28.029  -6.527  1.00 1.42  1   O  1 
HETATM 2226 C C34   . LIG_O  O  15 .   ? 16.390  27.273  -6.536  1.00 1.46  1   O  1 
HETATM 2227 C C35   . LIG_O  O  15 .   ? 15.718  26.430  -6.448  1.00 1.51  1   O  1 
HETATM 2228 C C36   . LIG_O  O  15 .   ? 15.128  25.534  -6.269  1.00 1.61  1   O  1 
HETATM 2229 C C37   . LIG_O  O  15 .   ? 14.634  24.598  -5.991  1.00 1.65  1   O  1 
HETATM 2230 C C38   . LIG_O  O  15 .   ? 14.184  23.642  -5.680  1.00 1.49  1   O  1 
HETATM 2231 C C39   . LIG_O  O  15 .   ? 13.770  22.678  -5.350  1.00 1.54  1   O  1 
HETATM 2232 C C40   . LIG_O  O  15 .   ? 13.371  21.715  -5.014  1.00 1.70  1   O  1 
HETATM 2233 C C41   . LIG_O  O  15 .   ? 12.980  20.748  -4.659  1.00 1.45  1   O  1 
HETATM 2234 C C42   . LIG_O  O  15 .   ? 12.606  19.801  -4.308  1.00 1.37  1   O  1 
HETATM 2235 C C43   . LIG_O  O  15 .   ? 12.206  18.852  -4.020  1.00 1.26  1   O  1 
HETATM 2236 C C44   . LIG_O  O  15 .   ? 11.758  17.806  -3.784  1.00 1.33  1   O  1 
HETATM 2237 C C1    . LIG_P  P  16 .   ? 8.193   23.073  -1.902  1.00 1.71  1   P  1 
HETATM 2238 C C2    . LIG_P  P  16 .   ? 8.849   23.673  -1.542  1.00 1.88  1   P  1 
HETATM 2239 C C3    . LIG_P  P  16 .   ? 8.427   24.559  -1.199  1.00 1.80  1   P  1 
HETATM 2240 C C4    . LIG_P  P  16 .   ? 7.535   25.139  -1.142  1.00 2.11  1   P  1 
HETATM 2241 C C5    . LIG_P  P  16 .   ? 6.581   25.681  -1.121  1.00 1.87  1   P  1 
HETATM 2242 C C6    . LIG_P  P  16 .   ? 5.554   26.077  -1.218  1.00 1.78  1   P  1 
HETATM 2243 C C7    . LIG_P  P  16 .   ? 4.532   26.420  -1.367  1.00 1.68  1   P  1 
HETATM 2244 C C8    . LIG_P  P  16 .   ? 3.483   26.724  -1.566  1.00 1.67  1   P  1 
HETATM 2245 C C9    . LIG_P  P  16 .   ? 2.429   26.983  -1.768  1.00 1.64  1   P  1 
HETATM 2246 C C10   . LIG_P  P  16 .   ? 1.332   27.261  -1.957  1.00 1.73  1   P  1 
HETATM 2247 C C11   . LIG_P  P  16 .   ? 0.250   27.528  -2.119  1.00 1.59  1   P  1 
HETATM 2248 C C12   . LIG_P  P  16 .   ? -0.856  27.780  -2.261  1.00 1.56  1   P  1 
HETATM 2249 C C13   . LIG_P  P  16 .   ? -1.947  28.042  -2.409  1.00 1.31  1   P  1 
HETATM 2250 C C14   . LIG_P  P  16 .   ? -3.053  28.338  -2.534  1.00 1.29  1   P  1 
HETATM 2251 C C15   . LIG_P  P  16 .   ? -4.121  28.607  -2.691  1.00 1.30  1   P  1 
HETATM 2252 C C16   . LIG_P  P  16 .   ? -5.249  28.944  -2.791  1.00 1.29  1   P  1 
HETATM 2253 C C17   . LIG_P  P  16 .   ? -6.257  29.148  -3.134  1.00 1.25  1   P  1 
HETATM 2254 C C18   . LIG_P  P  16 .   ? -7.462  29.646  -3.042  1.00 1.29  1   P  1 
HETATM 2255 O O1    . LIG_P  P  16 .   ? -7.789  30.224  -2.085  1.00 1.56  1   P  1 
HETATM 2256 O O2    . LIG_P  P  16 .   ? -8.190  29.444  -4.009  1.00 1.53  1   P  1 
HETATM 2257 C C19   . LIG_P  P  16 .   ? -9.432  29.883  -3.946  1.00 1.24  1   P  1 
HETATM 2258 C C20   . LIG_P  P  16 .   ? -10.245 29.384  -5.056  1.00 1.25  1   P  1 
HETATM 2259 C C21   . LIG_P  P  16 .   ? -11.677 29.729  -4.871  1.00 1.29  1   P  1 
HETATM 2260 O O3    . LIG_P  P  16 .   ? -11.904 30.998  -5.151  1.00 1.30  1   P  1 
HETATM 2261 P P1    . LIG_P  P  16 .   ? -13.333 31.562  -5.230  1.00 1.24  1   P  1 
HETATM 2262 O O4    . LIG_P  P  16 .   ? -13.212 32.918  -5.655  1.00 1.18  1   P  1 
HETATM 2263 O O5    . LIG_P  P  16 .   ? -14.080 31.200  -4.130  1.00 1.17  1   P  1 
HETATM 2264 O O6    . LIG_P  P  16 .   ? -13.850 30.760  -6.485  1.00 1.31  1   P  1 
HETATM 2265 C C22   . LIG_P  P  16 .   ? -15.031 30.394  -6.706  1.00 1.27  1   P  1 
HETATM 2266 C C23   . LIG_P  P  16 .   ? -15.228 29.981  -8.036  1.00 1.28  1   P  1 
HETATM 2267 N N1    . LIG_P  P  16 .   ? -16.297 29.156  -8.294  1.00 1.79  1   P  1 
HETATM 2268 C C24   . LIG_P  P  16 .   ? -17.531 29.813  -7.951  1.00 1.28  1   P  1 
HETATM 2269 C C25   . LIG_P  P  16 .   ? -16.288 28.869  -9.674  1.00 1.35  1   P  1 
HETATM 2270 C C26   . LIG_P  P  16 .   ? -16.178 27.959  -7.535  1.00 1.40  1   P  1 
HETATM 2271 O O7    . LIG_P  P  16 .   ? -10.186 28.005  -5.052  1.00 1.45  1   P  1 
HETATM 2272 C C27   . LIG_P  P  16 .   ? -9.712  27.487  -6.084  1.00 1.40  1   P  1 
HETATM 2273 O O8    . LIG_P  P  16 .   ? -9.665  28.062  -7.111  1.00 1.40  1   P  1 
HETATM 2274 C C28   . LIG_P  P  16 .   ? -9.181  26.305  -5.899  1.00 1.33  1   P  1 
HETATM 2275 C C29   . LIG_P  P  16 .   ? -8.098  25.982  -5.619  1.00 1.38  1   P  1 
HETATM 2276 C C30   . LIG_P  P  16 .   ? -7.121  25.543  -5.326  1.00 1.35  1   P  1 
HETATM 2277 C C31   . LIG_P  P  16 .   ? -6.081  25.218  -5.019  1.00 1.34  1   P  1 
HETATM 2278 C C32   . LIG_P  P  16 .   ? -5.090  24.856  -4.697  1.00 1.50  1   P  1 
HETATM 2279 C C33   . LIG_P  P  16 .   ? -4.074  24.540  -4.368  1.00 1.51  1   P  1 
HETATM 2280 C C34   . LIG_P  P  16 .   ? -3.046  24.217  -4.062  1.00 1.51  1   P  1 
HETATM 2281 C C35   . LIG_P  P  16 .   ? -1.996  23.931  -3.781  1.00 1.49  1   P  1 
HETATM 2282 C C36   . LIG_P  P  16 .   ? -0.915  23.658  -3.537  1.00 1.61  1   P  1 
HETATM 2283 C C37   . LIG_P  P  16 .   ? 0.186   23.411  -3.325  1.00 1.62  1   P  1 
HETATM 2284 C C38   . LIG_P  P  16 .   ? 1.315   23.187  -3.153  1.00 1.49  1   P  1 
HETATM 2285 C C39   . LIG_P  P  16 .   ? 2.466   22.978  -3.019  1.00 1.56  1   P  1 
HETATM 2286 C C40   . LIG_P  P  16 .   ? 3.614   22.774  -2.924  1.00 1.65  1   P  1 
HETATM 2287 C C41   . LIG_P  P  16 .   ? 4.764   22.569  -2.860  1.00 1.45  1   P  1 
HETATM 2288 C C42   . LIG_P  P  16 .   ? 5.855   22.345  -2.824  1.00 1.41  1   P  1 
HETATM 2289 C C43   . LIG_P  P  16 .   ? 6.906   22.071  -2.812  1.00 1.30  1   P  1 
HETATM 2290 C C44   . LIG_P  P  16 .   ? 8.028   21.616  -2.868  1.00 1.38  1   P  1 
HETATM 2291 C C1    . LIG_Q  Q  17 .   ? 3.183   17.836  -8.627  1.00 1.92  1   Q  1 
HETATM 2292 C C2    . LIG_Q  Q  17 .   ? 3.060   18.756  -8.772  1.00 1.97  1   Q  1 
HETATM 2293 C C3    . LIG_Q  Q  17 .   ? 2.125   19.082  -9.130  1.00 1.82  1   Q  1 
HETATM 2294 C C4    . LIG_Q  Q  17 .   ? 1.126   18.908  -9.393  1.00 2.09  1   Q  1 
HETATM 2295 C C5    . LIG_Q  Q  17 .   ? 0.102   18.727  -9.619  1.00 1.92  1   Q  1 
HETATM 2296 C C6    . LIG_Q  Q  17 .   ? -0.911  18.470  -9.717  1.00 1.73  1   Q  1 
HETATM 2297 C C7    . LIG_Q  Q  17 .   ? -1.923  18.241  -9.648  1.00 1.65  1   Q  1 
HETATM 2298 C C8    . LIG_Q  Q  17 .   ? -2.938  18.063  -9.372  1.00 1.63  1   Q  1 
HETATM 2299 C C9    . LIG_Q  Q  17 .   ? -3.943  17.928  -9.036  1.00 1.65  1   Q  1 
HETATM 2300 C C10   . LIG_Q  Q  17 .   ? -5.006  17.833  -8.709  1.00 1.73  1   Q  1 
HETATM 2301 C C11   . LIG_Q  Q  17 .   ? -6.063  17.822  -8.468  1.00 1.60  1   Q  1 
HETATM 2302 C C12   . LIG_Q  Q  17 .   ? -7.155  17.801  -8.294  1.00 1.61  1   Q  1 
HETATM 2303 C C13   . LIG_Q  Q  17 .   ? -8.246  17.886  -8.296  1.00 1.32  1   Q  1 
HETATM 2304 C C14   . LIG_Q  Q  17 .   ? -9.358  17.885  -8.316  1.00 1.33  1   Q  1 
HETATM 2305 C C15   . LIG_Q  Q  17 .   ? -10.433 17.965  -8.518  1.00 1.31  1   Q  1 
HETATM 2306 C C16   . LIG_Q  Q  17 .   ? -11.555 17.804  -8.543  1.00 1.33  1   Q  1 
HETATM 2307 C C17   . LIG_Q  Q  17 .   ? -12.638 17.757  -8.761  1.00 1.26  1   Q  1 
HETATM 2308 C C18   . LIG_Q  Q  17 .   ? -13.673 17.024  -8.555  1.00 1.30  1   Q  1 
HETATM 2309 O O1    . LIG_Q  Q  17 .   ? -14.367 17.199  -7.629  1.00 1.60  1   Q  1 
HETATM 2310 O O2    . LIG_Q  Q  17 .   ? -13.794 16.115  -9.370  1.00 1.55  1   Q  1 
HETATM 2311 C C19   . LIG_Q  Q  17 .   ? -14.708 15.204  -9.120  1.00 1.23  1   Q  1 
HETATM 2312 C C20   . LIG_Q  Q  17 .   ? -14.688 14.122  -10.081 1.00 1.23  1   Q  1 
HETATM 2313 C C21   . LIG_Q  Q  17 .   ? -15.567 13.012  -9.643  1.00 1.28  1   Q  1 
HETATM 2314 O O3    . LIG_Q  Q  17 .   ? -16.815 13.395  -9.513  1.00 1.27  1   Q  1 
HETATM 2315 P P1    . LIG_Q  Q  17 .   ? -17.875 12.494  -8.826  1.00 1.19  1   Q  1 
HETATM 2316 O O4    . LIG_Q  Q  17 .   ? -17.409 11.169  -8.782  1.00 1.15  1   Q  1 
HETATM 2317 O O5    . LIG_Q  Q  17 .   ? -19.122 12.799  -9.406  1.00 1.14  1   Q  1 
HETATM 2318 O O6    . LIG_Q  Q  17 .   ? -17.842 13.115  -7.414  1.00 1.28  1   Q  1 
HETATM 2319 C C22   . LIG_Q  Q  17 .   ? -16.991 12.837  -6.488  1.00 1.30  1   Q  1 
HETATM 2320 C C23   . LIG_Q  Q  17 .   ? -16.786 13.886  -5.611  1.00 1.29  1   Q  1 
HETATM 2321 N N1    . LIG_Q  Q  17 .   ? -15.998 13.719  -4.499  1.00 1.82  1   Q  1 
HETATM 2322 C C24   . LIG_Q  Q  17 .   ? -16.027 14.930  -3.796  1.00 1.30  1   Q  1 
HETATM 2323 C C25   . LIG_Q  Q  17 .   ? -14.691 13.417  -4.879  1.00 1.35  1   Q  1 
HETATM 2324 C C26   . LIG_Q  Q  17 .   ? -16.507 12.678  -3.698  1.00 1.39  1   Q  1 
HETATM 2325 O O7    . LIG_Q  Q  17 .   ? -13.437 13.580  -10.115 1.00 1.45  1   Q  1 
HETATM 2326 C C27   . LIG_Q  Q  17 .   ? -12.953 13.445  -11.256 1.00 1.44  1   Q  1 
HETATM 2327 O O8    . LIG_Q  Q  17 .   ? -13.570 13.534  -12.256 1.00 1.39  1   Q  1 
HETATM 2328 C C28   . LIG_Q  Q  17 .   ? -11.703 13.248  -11.220 1.00 1.34  1   Q  1 
HETATM 2329 C C29   . LIG_Q  Q  17 .   ? -10.709 13.523  -11.289 1.00 1.40  1   Q  1 
HETATM 2330 C C30   . LIG_Q  Q  17 .   ? -9.604  13.618  -11.192 1.00 1.40  1   Q  1 
HETATM 2331 C C31   . LIG_Q  Q  17 .   ? -8.546  13.780  -11.070 1.00 1.38  1   Q  1 
HETATM 2332 C C32   . LIG_Q  Q  17 .   ? -7.472  13.840  -10.885 1.00 1.50  1   Q  1 
HETATM 2333 C C33   . LIG_Q  Q  17 .   ? -6.398  13.892  -10.698 1.00 1.50  1   Q  1 
HETATM 2334 C C34   . LIG_Q  Q  17 .   ? -5.301  13.914  -10.494 1.00 1.53  1   Q  1 
HETATM 2335 C C35   . LIG_Q  Q  17 .   ? -4.211  13.921  -10.290 1.00 1.50  1   Q  1 
HETATM 2336 C C36   . LIG_Q  Q  17 .   ? -3.126  13.945  -10.081 1.00 1.63  1   Q  1 
HETATM 2337 C C37   . LIG_Q  Q  17 .   ? -2.043  14.025  -9.855  1.00 1.65  1   Q  1 
HETATM 2338 C C38   . LIG_Q  Q  17 .   ? -0.964  14.167  -9.629  1.00 1.51  1   Q  1 
HETATM 2339 C C39   . LIG_Q  Q  17 .   ? 0.091   14.425  -9.403  1.00 1.57  1   Q  1 
HETATM 2340 C C40   . LIG_Q  Q  17 .   ? 1.084   14.799  -9.155  1.00 1.73  1   Q  1 
HETATM 2341 C C41   . LIG_Q  Q  17 .   ? 2.016   15.270  -8.881  1.00 1.43  1   Q  1 
HETATM 2342 C C42   . LIG_Q  Q  17 .   ? 2.869   15.777  -8.593  1.00 1.41  1   Q  1 
HETATM 2343 C C43   . LIG_Q  Q  17 .   ? 3.731   16.281  -8.288  1.00 1.27  1   Q  1 
HETATM 2344 C C44   . LIG_Q  Q  17 .   ? 4.690   16.781  -7.956  1.00 1.37  1   Q  1 
HETATM 2345 C C1    . LIG_R  R  18 .   ? 7.532   17.282  -11.835 1.00 1.73  1   R  1 
HETATM 2346 C C2    . LIG_R  R  18 .   ? 7.321   17.387  -12.728 1.00 1.91  1   R  1 
HETATM 2347 C C3    . LIG_R  R  18 .   ? 6.490   17.326  -13.460 1.00 1.82  1   R  1 
HETATM 2348 C C4    . LIG_R  R  18 .   ? 5.659   17.260  -14.172 1.00 2.07  1   R  1 
HETATM 2349 C C5    . LIG_R  R  18 .   ? 4.769   17.172  -14.839 1.00 1.86  1   R  1 
HETATM 2350 C C6    . LIG_R  R  18 .   ? 3.851   17.070  -15.456 1.00 1.70  1   R  1 
HETATM 2351 C C7    . LIG_R  R  18 .   ? 2.914   16.949  -16.034 1.00 1.67  1   R  1 
HETATM 2352 C C8    . LIG_R  R  18 .   ? 1.960   16.821  -16.597 1.00 1.65  1   R  1 
HETATM 2353 C C9    . LIG_R  R  18 .   ? 1.010   16.659  -17.123 1.00 1.62  1   R  1 
HETATM 2354 C C10   . LIG_R  R  18 .   ? 0.010   16.443  -17.653 1.00 1.68  1   R  1 
HETATM 2355 C C11   . LIG_R  R  18 .   ? -0.975  16.155  -18.107 1.00 1.58  1   R  1 
HETATM 2356 C C12   . LIG_R  R  18 .   ? -1.995  15.836  -18.512 1.00 1.59  1   R  1 
HETATM 2357 C C13   . LIG_R  R  18 .   ? -3.010  15.417  -18.756 1.00 1.32  1   R  1 
HETATM 2358 C C14   . LIG_R  R  18 .   ? -4.072  14.982  -18.919 1.00 1.32  1   R  1 
HETATM 2359 C C15   . LIG_R  R  18 .   ? -5.040  14.432  -18.919 1.00 1.31  1   R  1 
HETATM 2360 C C16   . LIG_R  R  18 .   ? -6.121  13.953  -18.895 1.00 1.30  1   R  1 
HETATM 2361 C C17   . LIG_R  R  18 .   ? -6.925  13.229  -18.645 1.00 1.25  1   R  1 
HETATM 2362 C C18   . LIG_R  R  18 .   ? -8.201  12.952  -18.578 1.00 1.29  1   R  1 
HETATM 2363 O O1    . LIG_R  R  18 .   ? -9.007  13.644  -19.087 1.00 1.59  1   R  1 
HETATM 2364 O O2    . LIG_R  R  18 .   ? -8.457  11.941  -17.913 1.00 1.55  1   R  1 
HETATM 2365 C C19   . LIG_R  R  18 .   ? -9.727  11.678  -17.653 1.00 1.23  1   R  1 
HETATM 2366 C C20   . LIG_R  R  18 .   ? -9.858  10.640  -16.626 1.00 1.23  1   R  1 
HETATM 2367 C C21   . LIG_R  R  18 .   ? -11.294 10.369  -16.375 1.00 1.25  1   R  1 
HETATM 2368 O O3    . LIG_R  R  18 .   ? -11.776 9.598   -17.365 1.00 1.26  1   R  1 
HETATM 2369 P P1    . LIG_R  R  18 .   ? -13.264 9.252   -17.502 1.00 1.20  1   R  1 
HETATM 2370 O O4    . LIG_R  R  18 .   ? -13.992 10.437  -17.803 1.00 1.16  1   R  1 
HETATM 2371 O O5    . LIG_R  R  18 .   ? -13.367 8.120   -18.320 1.00 1.14  1   R  1 
HETATM 2372 O O6    . LIG_R  R  18 .   ? -13.612 8.834   -16.043 1.00 1.27  1   R  1 
HETATM 2373 C C22   . LIG_R  R  18 .   ? -14.767 9.001   -15.493 1.00 1.26  1   R  1 
HETATM 2374 C C23   . LIG_R  R  18 .   ? -14.674 9.027   -14.106 1.00 1.27  1   R  1 
HETATM 2375 N N1    . LIG_R  R  18 .   ? -15.788 9.321   -13.357 1.00 1.74  1   R  1 
HETATM 2376 C C24   . LIG_R  R  18 .   ? -15.380 9.324   -12.016 1.00 1.26  1   R  1 
HETATM 2377 C C25   . LIG_R  R  18 .   ? -16.302 10.595  -13.719 1.00 1.33  1   R  1 
HETATM 2378 C C26   . LIG_R  R  18 .   ? -16.792 8.322   -13.536 1.00 1.33  1   R  1 
HETATM 2379 O O7    . LIG_R  R  18 .   ? -9.284  11.096  -15.459 1.00 1.44  1   R  1 
HETATM 2380 C C27   . LIG_R  R  18 .   ? -8.421  10.338  -14.942 1.00 1.44  1   R  1 
HETATM 2381 O O8    . LIG_R  R  18 .   ? -8.449  9.160   -15.085 1.00 1.39  1   R  1 
HETATM 2382 C C28   . LIG_R  R  18 .   ? -7.476  10.924  -14.262 1.00 1.33  1   R  1 
HETATM 2383 C C29   . LIG_R  R  18 .   ? -6.389  11.273  -14.363 1.00 1.41  1   R  1 
HETATM 2384 C C30   . LIG_R  R  18 .   ? -5.368  11.758  -14.219 1.00 1.41  1   R  1 
HETATM 2385 C C31   . LIG_R  R  18 .   ? -4.333  12.197  -14.246 1.00 1.38  1   R  1 
HETATM 2386 C C32   . LIG_R  R  18 .   ? -3.322  12.677  -14.127 1.00 1.53  1   R  1 
HETATM 2387 C C33   . LIG_R  R  18 .   ? -2.308  13.155  -14.025 1.00 1.51  1   R  1 
HETATM 2388 C C34   . LIG_R  R  18 .   ? -1.291  13.634  -13.813 1.00 1.54  1   R  1 
HETATM 2389 C C35   . LIG_R  R  18 .   ? -0.280  14.085  -13.554 1.00 1.52  1   R  1 
HETATM 2390 C C36   . LIG_R  R  18 .   ? 0.731   14.500  -13.244 1.00 1.62  1   R  1 
HETATM 2391 C C37   . LIG_R  R  18 .   ? 1.734   14.901  -12.899 1.00 1.66  1   R  1 
HETATM 2392 C C38   . LIG_R  R  18 .   ? 2.737   15.272  -12.511 1.00 1.53  1   R  1 
HETATM 2393 C C39   . LIG_R  R  18 .   ? 3.731   15.630  -12.101 1.00 1.60  1   R  1 
HETATM 2394 C C40   . LIG_R  R  18 .   ? 4.710   15.966  -11.650 1.00 1.69  1   R  1 
HETATM 2395 C C41   . LIG_R  R  18 .   ? 5.679   16.297  -11.173 1.00 1.42  1   R  1 
HETATM 2396 C C42   . LIG_R  R  18 .   ? 6.597   16.640  -10.674 1.00 1.39  1   R  1 
HETATM 2397 C C43   . LIG_R  R  18 .   ? 7.476   16.984  -10.130 1.00 1.27  1   R  1 
HETATM 2398 C C44   . LIG_R  R  18 .   ? 8.385   17.339  -9.516  1.00 1.37  1   R  1 
HETATM 2399 C C1    . LIG_S  S  19 .   ? 17.684  5.598   -6.134  1.00 1.81  1   S  1 
HETATM 2400 C C2    . LIG_S  S  19 .   ? 18.184  4.684   -6.324  1.00 1.87  1   S  1 
HETATM 2401 C C3    . LIG_S  S  19 .   ? 17.728  3.700   -6.563  1.00 1.80  1   S  1 
HETATM 2402 C C4    . LIG_S  S  19 .   ? 16.878  3.025   -6.788  1.00 2.13  1   S  1 
HETATM 2403 C C5    . LIG_S  S  19 .   ? 16.021  2.333   -7.034  1.00 1.92  1   S  1 
HETATM 2404 C C6    . LIG_S  S  19 .   ? 15.094  1.742   -7.287  1.00 1.85  1   S  1 
HETATM 2405 C C7    . LIG_S  S  19 .   ? 14.171  1.171   -7.545  1.00 1.77  1   S  1 
HETATM 2406 C C8    . LIG_S  S  19 .   ? 13.230  0.609   -7.787  1.00 1.87  1   S  1 
HETATM 2407 C C9    . LIG_S  S  19 .   ? 12.334  0.011   -8.040  1.00 1.90  1   S  1 
HETATM 2408 C C10   . LIG_S  S  19 .   ? 11.418  -0.644  -8.317  1.00 2.03  1   S  1 
HETATM 2409 C C11   . LIG_S  S  19 .   ? 10.607  -1.365  -8.603  1.00 1.92  1   S  1 
HETATM 2410 C C12   . LIG_S  S  19 .   ? 9.826   -2.135  -8.916  1.00 2.14  1   S  1 
HETATM 2411 C C13   . LIG_S  S  19 .   ? 9.147   -2.980  -9.237  1.00 1.68  1   S  1 
HETATM 2412 C C14   . LIG_S  S  19 .   ? 8.414   -3.780  -9.584  1.00 1.73  1   S  1 
HETATM 2413 C C15   . LIG_S  S  19 .   ? 7.809   -4.678  -9.879  1.00 1.75  1   S  1 
HETATM 2414 C C16   . LIG_S  S  19 .   ? 7.016   -5.403  -10.309 1.00 1.77  1   S  1 
HETATM 2415 C C17   . LIG_S  S  19 .   ? 6.420   -6.329  -10.586 1.00 1.58  1   S  1 
HETATM 2416 C C18   . LIG_S  S  19 .   ? 5.367   -6.680  -11.251 1.00 1.73  1   S  1 
HETATM 2417 O O1    . LIG_S  S  19 .   ? 5.487   -7.235  -12.266 1.00 2.46  1   S  1 
HETATM 2418 O O2    . LIG_S  S  19 .   ? 4.296   -6.289  -10.777 1.00 2.13  1   S  1 
HETATM 2419 C C19   . LIG_S  S  19 .   ? 3.210   -6.431  -11.505 1.00 1.62  1   S  1 
HETATM 2420 C C20   . LIG_S  S  19 .   ? 2.097   -5.656  -10.979 1.00 1.83  1   S  1 
HETATM 2421 C C21   . LIG_S  S  19 .   ? 0.980   -5.667  -11.949 1.00 1.82  1   S  1 
HETATM 2422 O O3    . LIG_S  S  19 .   ? 0.326   -6.821  -11.916 1.00 1.79  1   S  1 
HETATM 2423 P P1    . LIG_S  S  19 .   ? -0.995  -7.009  -12.689 1.00 1.67  1   S  1 
HETATM 2424 O O4    . LIG_S  S  19 .   ? -0.715  -7.210  -14.065 1.00 1.41  1   S  1 
HETATM 2425 O O5    . LIG_S  S  19 .   ? -1.769  -7.961  -12.001 1.00 1.74  1   S  1 
HETATM 2426 O O6    . LIG_S  S  19 .   ? -1.630  -5.583  -12.515 1.00 1.75  1   S  1 
HETATM 2427 C C22   . LIG_S  S  19 .   ? -2.884  -5.311  -12.638 1.00 1.86  1   S  1 
HETATM 2428 C C23   . LIG_S  S  19 .   ? -3.149  -3.953  -12.401 1.00 1.84  1   S  1 
HETATM 2429 N N1    . LIG_S  S  19 .   ? -3.360  -3.513  -11.090 1.00 2.95  1   S  1 
HETATM 2430 C C24   . LIG_S  S  19 .   ? -2.122  -3.321  -10.447 1.00 1.89  1   S  1 
HETATM 2431 C C25   . LIG_S  S  19 .   ? -4.149  -4.453  -10.368 1.00 1.99  1   S  1 
HETATM 2432 C C26   . LIG_S  S  19 .   ? -4.015  -2.290  -11.137 1.00 1.87  1   S  1 
HETATM 2433 O O7    . LIG_S  S  19 .   ? 2.482   -4.333  -10.834 1.00 2.03  1   S  1 
HETATM 2434 C C27   . LIG_S  S  19 .   ? 2.417   -3.845  -9.668  1.00 2.06  1   S  1 
HETATM 2435 O O8    . LIG_S  S  19 .   ? 1.795   -4.365  -8.799  1.00 1.82  1   S  1 
HETATM 2436 C C28   . LIG_S  S  19 .   ? 3.099   -2.746  -9.513  1.00 1.84  1   S  1 
HETATM 2437 C C29   . LIG_S  S  19 .   ? 3.822   -2.118  -8.957  1.00 1.86  1   S  1 
HETATM 2438 C C30   . LIG_S  S  19 .   ? 4.571   -1.291  -8.649  1.00 1.84  1   S  1 
HETATM 2439 C C31   . LIG_S  S  19 .   ? 5.319   -0.520  -8.295  1.00 1.71  1   S  1 
HETATM 2440 C C32   . LIG_S  S  19 .   ? 6.058   0.301   -7.994  1.00 1.83  1   S  1 
HETATM 2441 C C33   . LIG_S  S  19 .   ? 6.802   1.121   -7.679  1.00 1.85  1   S  1 
HETATM 2442 C C34   . LIG_S  S  19 .   ? 7.556   1.949   -7.373  1.00 1.78  1   S  1 
HETATM 2443 C C35   . LIG_S  S  19 .   ? 8.348   2.754   -7.087  1.00 1.73  1   S  1 
HETATM 2444 C C36   . LIG_S  S  19 .   ? 9.176   3.539   -6.817  1.00 1.81  1   S  1 
HETATM 2445 C C37   . LIG_S  S  19 .   ? 10.056  4.267   -6.553  1.00 1.82  1   S  1 
HETATM 2446 C C38   . LIG_S  S  19 .   ? 11.005  4.930   -6.312  1.00 1.63  1   S  1 
HETATM 2447 C C39   . LIG_S  S  19 .   ? 12.020  5.522   -6.100  1.00 1.66  1   S  1 
HETATM 2448 C C40   . LIG_S  S  19 .   ? 13.088  6.002   -5.949  1.00 1.78  1   S  1 
HETATM 2449 C C41   . LIG_S  S  19 .   ? 14.178  6.412   -5.857  1.00 1.47  1   S  1 
HETATM 2450 C C42   . LIG_S  S  19 .   ? 15.241  6.774   -5.818  1.00 1.42  1   S  1 
HETATM 2451 C C43   . LIG_S  S  19 .   ? 16.261  7.153   -5.795  1.00 1.30  1   S  1 
HETATM 2452 C C44   . LIG_S  S  19 .   ? 17.334  7.718   -5.715  1.00 1.37  1   S  1 
HETATM 2453 C C1    . LIG_T  T  20 .   ? 11.215  20.793  4.152   1.00 1.68  1   T  1 
HETATM 2454 C C2    . LIG_T  T  20 .   ? 10.680  21.227  3.384   1.00 1.86  1   T  1 
HETATM 2455 C C3    . LIG_T  T  20 .   ? 9.593   21.373  3.407   1.00 1.76  1   T  1 
HETATM 2456 C C4    . LIG_T  T  20 .   ? 8.636   21.266  3.951   1.00 2.01  1   T  1 
HETATM 2457 C C5    . LIG_T  T  20 .   ? 7.682   21.158  4.511   1.00 1.81  1   T  1 
HETATM 2458 C C6    . LIG_T  T  20 .   ? 6.790   20.990  5.177   1.00 1.65  1   T  1 
HETATM 2459 C C7    . LIG_T  T  20 .   ? 5.952   20.803  5.873   1.00 1.53  1   T  1 
HETATM 2460 C C8    . LIG_T  T  20 .   ? 5.152   20.597  6.619   1.00 1.48  1   T  1 
HETATM 2461 C C9    . LIG_T  T  20 .   ? 4.384   20.374  7.382   1.00 1.53  1   T  1 
HETATM 2462 C C10   . LIG_T  T  20 .   ? 3.580   20.134  8.173   1.00 1.59  1   T  1 
HETATM 2463 C C11   . LIG_T  T  20 .   ? 2.796   19.891  8.939   1.00 1.48  1   T  1 
HETATM 2464 C C12   . LIG_T  T  20 .   ? 1.977   19.643  9.709   1.00 1.53  1   T  1 
HETATM 2465 C C13   . LIG_T  T  20 .   ? 1.149   19.375  10.423  1.00 1.31  1   T  1 
HETATM 2466 C C14   . LIG_T  T  20 .   ? 0.293   19.120  11.156  1.00 1.34  1   T  1 
HETATM 2467 C C15   . LIG_T  T  20 .   ? -0.553  18.841  11.807  1.00 1.31  1   T  1 
HETATM 2468 C C16   . LIG_T  T  20 .   ? -1.469  18.648  12.501  1.00 1.33  1   T  1 
HETATM 2469 C C17   . LIG_T  T  20 .   ? -2.299  18.316  13.091  1.00 1.24  1   T  1 
HETATM 2470 C C18   . LIG_T  T  20 .   ? -3.301  18.422  13.915  1.00 1.31  1   T  1 
HETATM 2471 O O1    . LIG_T  T  20 .   ? -4.254  19.045  13.640  1.00 1.66  1   T  1 
HETATM 2472 O O2    . LIG_T  T  20 .   ? -3.143  17.831  14.969  1.00 1.55  1   T  1 
HETATM 2473 C C19   . LIG_T  T  20 .   ? -4.016  18.068  15.953  1.00 1.25  1   T  1 
HETATM 2474 C C20   . LIG_T  T  20 .   ? -3.509  17.533  17.212  1.00 1.26  1   T  1 
HETATM 2475 C C21   . LIG_T  T  20 .   ? -4.182  18.126  18.404  1.00 1.27  1   T  1 
HETATM 2476 O O3    . LIG_T  T  20 .   ? -5.440  18.430  18.196  1.00 1.29  1   T  1 
HETATM 2477 P P1    . LIG_T  T  20 .   ? -6.314  19.002  19.332  1.00 1.23  1   T  1 
HETATM 2478 O O4    . LIG_T  T  20 .   ? -5.633  20.025  20.022  1.00 1.16  1   T  1 
HETATM 2479 O O5    . LIG_T  T  20 .   ? -7.603  19.224  18.833  1.00 1.16  1   T  1 
HETATM 2480 O O6    . LIG_T  T  20 .   ? -6.330  17.734  20.252  1.00 1.27  1   T  1 
HETATM 2481 C C22   . LIG_T  T  20 .   ? -7.335  17.296  20.849  1.00 1.27  1   T  1 
HETATM 2482 C C23   . LIG_T  T  20 .   ? -7.170  16.035  21.396  1.00 1.29  1   T  1 
HETATM 2483 N N1    . LIG_T  T  20 .   ? -8.241  15.516  22.077  1.00 1.78  1   T  1 
HETATM 2484 C C24   . LIG_T  T  20 .   ? -7.831  14.281  22.609  1.00 1.25  1   T  1 
HETATM 2485 C C25   . LIG_T  T  20 .   ? -8.619  16.388  23.132  1.00 1.30  1   T  1 
HETATM 2486 C C26   . LIG_T  T  20 .   ? -9.332  15.334  21.180  1.00 1.34  1   T  1 
HETATM 2487 O O7    . LIG_T  T  20 .   ? -2.196  17.897  17.343  1.00 1.39  1   T  1 
HETATM 2488 C C27   . LIG_T  T  20 .   ? -1.355  16.951  17.392  1.00 1.41  1   T  1 
HETATM 2489 O O8    . LIG_T  T  20 .   ? -1.687  15.825  17.568  1.00 1.37  1   T  1 
HETATM 2490 C C28   . LIG_T  T  20 .   ? -0.132  17.291  17.168  1.00 1.34  1   T  1 
HETATM 2491 C C29   . LIG_T  T  20 .   ? 0.706   17.162  16.403  1.00 1.37  1   T  1 
HETATM 2492 C C30   . LIG_T  T  20 .   ? 1.666   17.271  15.820  1.00 1.38  1   T  1 
HETATM 2493 C C31   . LIG_T  T  20 .   ? 2.523   17.307  15.086  1.00 1.33  1   T  1 
HETATM 2494 C C32   . LIG_T  T  20 .   ? 3.421   17.448  14.421  1.00 1.46  1   T  1 
HETATM 2495 C C33   . LIG_T  T  20 .   ? 4.281   17.626  13.716  1.00 1.43  1   T  1 
HETATM 2496 C C34   . LIG_T  T  20 .   ? 5.164   17.838  13.022  1.00 1.45  1   T  1 
HETATM 2497 C C35   . LIG_T  T  20 .   ? 6.032   18.038  12.323  1.00 1.43  1   T  1 
HETATM 2498 C C36   . LIG_T  T  20 .   ? 6.885   18.259  11.600  1.00 1.48  1   T  1 
HETATM 2499 C C37   . LIG_T  T  20 .   ? 7.721   18.470  10.845  1.00 1.48  1   T  1 
HETATM 2500 C C38   . LIG_T  T  20 .   ? 8.547   18.699  10.067  1.00 1.42  1   T  1 
HETATM 2501 C C39   . LIG_T  T  20 .   ? 9.361   18.946  9.265   1.00 1.47  1   T  1 
HETATM 2502 C C40   . LIG_T  T  20 .   ? 10.128  19.198  8.435   1.00 1.62  1   T  1 
HETATM 2503 C C41   . LIG_T  T  20 .   ? 10.856  19.455  7.584   1.00 1.43  1   T  1 
HETATM 2504 C C42   . LIG_T  T  20 .   ? 11.541  19.691  6.753   1.00 1.40  1   T  1 
HETATM 2505 C C43   . LIG_T  T  20 .   ? 12.221  19.885  5.943   1.00 1.29  1   T  1 
HETATM 2506 C C44   . LIG_T  T  20 .   ? 13.089  20.040  5.125   1.00 1.34  1   T  1 
HETATM 2507 C C1    . LIG_U  U  21 .   ? 11.556  16.765  -14.033 1.00 1.73  1   U  1 
HETATM 2508 C C2    . LIG_U  U  21 .   ? 11.048  17.755  -14.287 1.00 1.92  1   U  1 
HETATM 2509 C C3    . LIG_U  U  21 .   ? 10.235  18.201  -14.985 1.00 1.79  1   U  1 
HETATM 2510 C C4    . LIG_U  U  21 .   ? 9.420   18.278  -15.807 1.00 2.07  1   U  1 
HETATM 2511 C C5    . LIG_U  U  21 .   ? 8.582   18.298  -16.629 1.00 1.85  1   U  1 
HETATM 2512 C C6    . LIG_U  U  21 .   ? 7.771   18.136  -17.464 1.00 1.70  1   U  1 
HETATM 2513 C C7    . LIG_U  U  21 .   ? 6.998   17.864  -18.267 1.00 1.62  1   U  1 
HETATM 2514 C C8    . LIG_U  U  21 .   ? 6.257   17.484  -19.064 1.00 1.56  1   U  1 
HETATM 2515 C C9    . LIG_U  U  21 .   ? 5.556   17.023  -19.824 1.00 1.54  1   U  1 
HETATM 2516 C C10   . LIG_U  U  21 .   ? 4.829   16.505  -20.605 1.00 1.64  1   U  1 
HETATM 2517 C C11   . LIG_U  U  21 .   ? 4.114   15.985  -21.334 1.00 1.58  1   U  1 
HETATM 2518 C C12   . LIG_U  U  21 .   ? 3.367   15.448  -22.059 1.00 1.56  1   U  1 
HETATM 2519 C C13   . LIG_U  U  21 .   ? 2.629   14.910  -22.749 1.00 1.31  1   U  1 
HETATM 2520 C C14   . LIG_U  U  21 .   ? 1.839   14.337  -23.379 1.00 1.31  1   U  1 
HETATM 2521 C C15   . LIG_U  U  21 .   ? 1.092   13.769  -23.995 1.00 1.32  1   U  1 
HETATM 2522 C C16   . LIG_U  U  21 .   ? 0.207   13.183  -24.510 1.00 1.31  1   U  1 
HETATM 2523 C C17   . LIG_U  U  21 .   ? -0.478  12.562  -25.073 1.00 1.25  1   U  1 
HETATM 2524 C C18   . LIG_U  U  21 .   ? -1.598  11.936  -25.336 1.00 1.30  1   U  1 
HETATM 2525 O O1    . LIG_U  U  21 .   ? -2.611  12.500  -25.442 1.00 1.59  1   U  1 
HETATM 2526 O O2    . LIG_U  U  21 .   ? -1.459  10.708  -25.405 1.00 1.54  1   U  1 
HETATM 2527 C C19   . LIG_U  U  21 .   ? -2.543  9.946   -25.471 1.00 1.24  1   U  1 
HETATM 2528 C C20   . LIG_U  U  21 .   ? -2.204  8.516   -25.405 1.00 1.25  1   U  1 
HETATM 2529 C C21   . LIG_U  U  21 .   ? -3.425  7.679   -25.356 1.00 1.26  1   U  1 
HETATM 2530 O O3    . LIG_U  U  21 .   ? -3.952  7.539   -26.564 1.00 1.29  1   U  1 
HETATM 2531 P P1    . LIG_U  U  21 .   ? -4.859  6.369   -26.929 1.00 1.22  1   U  1 
HETATM 2532 O O4    . LIG_U  U  21 .   ? -5.287  6.554   -28.277 1.00 1.18  1   U  1 
HETATM 2533 O O5    . LIG_U  U  21 .   ? -4.333  5.144   -26.550 1.00 1.15  1   U  1 
HETATM 2534 O O6    . LIG_U  U  21 .   ? -6.055  6.663   -25.946 1.00 1.28  1   U  1 
HETATM 2535 C C22   . LIG_U  U  21 .   ? -7.269  6.414   -26.211 1.00 1.27  1   U  1 
HETATM 2536 C C23   . LIG_U  U  21 .   ? -8.008  5.976   -25.135 1.00 1.27  1   U  1 
HETATM 2537 N N1    . LIG_U  U  21 .   ? -9.318  5.621   -25.366 1.00 1.75  1   U  1 
HETATM 2538 C C24   . LIG_U  U  21 .   ? -9.620  4.551   -24.481 1.00 1.27  1   U  1 
HETATM 2539 C C25   . LIG_U  U  21 .   ? -10.155 6.726   -25.083 1.00 1.34  1   U  1 
HETATM 2540 C C26   . LIG_U  U  21 .   ? -9.540  5.190   -26.704 1.00 1.36  1   U  1 
HETATM 2541 O O7    . LIG_U  U  21 .   ? -1.510  8.288   -24.232 1.00 1.45  1   U  1 
HETATM 2542 C C27   . LIG_U  U  21 .   ? -0.277  8.056   -24.381 1.00 1.45  1   U  1 
HETATM 2543 O O8    . LIG_U  U  21 .   ? 0.186   7.824   -25.452 1.00 1.39  1   U  1 
HETATM 2544 C C28   . LIG_U  U  21 .   ? 0.460   8.125   -23.306 1.00 1.33  1   U  1 
HETATM 2545 C C29   . LIG_U  U  21 .   ? 1.563   8.370   -23.071 1.00 1.39  1   U  1 
HETATM 2546 C C30   . LIG_U  U  21 .   ? 2.516   8.590   -22.499 1.00 1.39  1   U  1 
HETATM 2547 C C31   . LIG_U  U  21 .   ? 3.537   8.834   -22.056 1.00 1.37  1   U  1 
HETATM 2548 C C32   . LIG_U  U  21 .   ? 4.498   9.062   -21.511 1.00 1.50  1   U  1 
HETATM 2549 C C33   . LIG_U  U  21 .   ? 5.473   9.296   -20.975 1.00 1.48  1   U  1 
HETATM 2550 C C34   . LIG_U  U  21 .   ? 6.425   9.522   -20.369 1.00 1.51  1   U  1 
HETATM 2551 C C35   . LIG_U  U  21 .   ? 7.334   9.761   -19.721 1.00 1.47  1   U  1 
HETATM 2552 C C36   . LIG_U  U  21 .   ? 8.190   10.048  -19.002 1.00 1.58  1   U  1 
HETATM 2553 C C37   . LIG_U  U  21 .   ? 8.993   10.398  -18.240 1.00 1.57  1   U  1 
HETATM 2554 C C38   . LIG_U  U  21 .   ? 9.726   10.823  -17.435 1.00 1.47  1   U  1 
HETATM 2555 C C39   . LIG_U  U  21 .   ? 10.415  11.331  -16.621 1.00 1.53  1   U  1 
HETATM 2556 C C40   . LIG_U  U  21 .   ? 11.000  11.946  -15.814 1.00 1.64  1   U  1 
HETATM 2557 C C41   . LIG_U  U  21 .   ? 11.543  12.621  -15.025 1.00 1.40  1   U  1 
HETATM 2558 C C42   . LIG_U  U  21 .   ? 12.037  13.300  -14.290 1.00 1.41  1   U  1 
HETATM 2559 C C43   . LIG_U  U  21 .   ? 12.571  13.890  -13.509 1.00 1.30  1   U  1 
HETATM 2560 C C44   . LIG_U  U  21 .   ? 13.189  14.413  -12.645 1.00 1.36  1   U  1 
HETATM 2561 C C1    . LIG_V  V  22 .   ? 20.330  12.737  8.482   1.00 1.92  1   V  1 
HETATM 2562 C C2    . LIG_V  V  22 .   ? 20.416  13.583  8.975   1.00 2.03  1   V  1 
HETATM 2563 C C3    . LIG_V  V  22 .   ? 19.801  14.091  9.728   1.00 1.95  1   V  1 
HETATM 2564 C C4    . LIG_V  V  22 .   ? 19.060  14.202  10.513  1.00 2.17  1   V  1 
HETATM 2565 C C5    . LIG_V  V  22 .   ? 18.298  14.222  11.312  1.00 1.90  1   V  1 
HETATM 2566 C C6    . LIG_V  V  22 .   ? 17.530  14.042  12.087  1.00 1.66  1   V  1 
HETATM 2567 C C7    . LIG_V  V  22 .   ? 16.785  13.764  12.840  1.00 1.61  1   V  1 
HETATM 2568 C C8    . LIG_V  V  22 .   ? 16.049  13.385  13.566  1.00 1.56  1   V  1 
HETATM 2569 C C9    . LIG_V  V  22 .   ? 15.315  12.938  14.239  1.00 1.64  1   V  1 
HETATM 2570 C C10   . LIG_V  V  22 .   ? 14.544  12.430  14.901  1.00 1.71  1   V  1 
HETATM 2571 C C11   . LIG_V  V  22 .   ? 13.769  11.883  15.475  1.00 1.55  1   V  1 
HETATM 2572 C C12   . LIG_V  V  22 .   ? 12.957  11.294  16.003  1.00 1.66  1   V  1 
HETATM 2573 C C13   . LIG_V  V  22 .   ? 12.111  10.703  16.429  1.00 1.37  1   V  1 
HETATM 2574 C C14   . LIG_V  V  22 .   ? 11.272  10.072  16.868  1.00 1.40  1   V  1 
HETATM 2575 C C15   . LIG_V  V  22 .   ? 10.388  9.480   17.200  1.00 1.38  1   V  1 
HETATM 2576 C C16   . LIG_V  V  22 .   ? 9.592   8.820   17.703  1.00 1.41  1   V  1 
HETATM 2577 C C17   . LIG_V  V  22 .   ? 8.676   8.227   17.898  1.00 1.32  1   V  1 
HETATM 2578 C C18   . LIG_V  V  22 .   ? 8.131   7.429   18.749  1.00 1.45  1   V  1 
HETATM 2579 O O1    . LIG_V  V  22 .   ? 8.588   7.287   19.817  1.00 1.81  1   V  1 
HETATM 2580 O O2    . LIG_V  V  22 .   ? 7.150   6.841   18.338  1.00 1.81  1   V  1 
HETATM 2581 C C19   . LIG_V  V  22 .   ? 6.636   5.927   19.121  1.00 1.37  1   V  1 
HETATM 2582 C C20   . LIG_V  V  22 .   ? 5.766   5.104   18.333  1.00 1.53  1   V  1 
HETATM 2583 C C21   . LIG_V  V  22 .   ? 4.956   4.182   19.145  1.00 1.59  1   V  1 
HETATM 2584 O O3    . LIG_V  V  22 .   ? 5.402   3.977   20.375  1.00 1.62  1   V  1 
HETATM 2585 P P1    . LIG_V  V  22 .   ? 4.530   3.164   21.376  1.00 1.81  1   V  1 
HETATM 2586 O O4    . LIG_V  V  22 .   ? 3.256   3.782   21.482  1.00 1.54  1   V  1 
HETATM 2587 O O5    . LIG_V  V  22 .   ? 5.297   2.897   22.515  1.00 1.61  1   V  1 
HETATM 2588 O O6    . LIG_V  V  22 .   ? 4.390   1.821   20.570  1.00 2.01  1   V  1 
HETATM 2589 C C22   . LIG_V  V  22 .   ? 3.454   1.532   19.743  1.00 2.17  1   V  1 
HETATM 2590 C C23   . LIG_V  V  22 .   ? 3.826   0.504   18.862  1.00 2.27  1   V  1 
HETATM 2591 N N1    . LIG_V  V  22 .   ? 3.969   0.756   17.510  1.00 4.25  1   V  1 
HETATM 2592 C C24   . LIG_V  V  22 .   ? 5.293   1.154   17.256  1.00 2.26  1   V  1 
HETATM 2593 C C25   . LIG_V  V  22 .   ? 3.735   -0.417  16.822  1.00 2.86  1   V  1 
HETATM 2594 C C26   . LIG_V  V  22 .   ? 3.071   1.762   17.080  1.00 2.56  1   V  1 
HETATM 2595 O O7    . LIG_V  V  22 .   ? 6.562   4.349   17.499  1.00 1.78  1   V  1 
HETATM 2596 C C27   . LIG_V  V  22 .   ? 6.220   4.360   16.281  1.00 1.82  1   V  1 
HETATM 2597 O O8    . LIG_V  V  22 .   ? 5.120   4.652   15.924  1.00 1.63  1   V  1 
HETATM 2598 C C28   . LIG_V  V  22 .   ? 7.178   4.072   15.433  1.00 1.58  1   V  1 
HETATM 2599 C C29   . LIG_V  V  22 .   ? 7.848   4.714   14.747  1.00 1.61  1   V  1 
HETATM 2600 C C30   . LIG_V  V  22 .   ? 8.627   5.221   14.157  1.00 1.56  1   V  1 
HETATM 2601 C C31   . LIG_V  V  22 .   ? 9.411   5.881   13.682  1.00 1.47  1   V  1 
HETATM 2602 C C32   . LIG_V  V  22 .   ? 10.241  6.486   13.314  1.00 1.63  1   V  1 
HETATM 2603 C C33   . LIG_V  V  22 .   ? 11.085  7.114   12.961  1.00 1.55  1   V  1 
HETATM 2604 C C34   . LIG_V  V  22 .   ? 11.941  7.729   12.586  1.00 1.52  1   V  1 
HETATM 2605 C C35   . LIG_V  V  22 .   ? 12.787  8.314   12.163  1.00 1.54  1   V  1 
HETATM 2606 C C36   . LIG_V  V  22 .   ? 13.636  8.854   11.670  1.00 1.61  1   V  1 
HETATM 2607 C C37   . LIG_V  V  22 .   ? 14.485  9.346   11.116  1.00 1.65  1   V  1 
HETATM 2608 C C38   . LIG_V  V  22 .   ? 15.342  9.772   10.498  1.00 1.49  1   V  1 
HETATM 2609 C C39   . LIG_V  V  22 .   ? 16.217  10.143  9.855   1.00 1.55  1   V  1 
HETATM 2610 C C40   . LIG_V  V  22 .   ? 17.096  10.463  9.224   1.00 1.76  1   V  1 
HETATM 2611 C C41   . LIG_V  V  22 .   ? 18.002  10.750  8.623   1.00 1.47  1   V  1 
HETATM 2612 C C42   . LIG_V  V  22 .   ? 18.904  10.988  8.084   1.00 1.46  1   V  1 
HETATM 2613 C C43   . LIG_V  V  22 .   ? 19.808  11.140  7.521   1.00 1.33  1   V  1 
HETATM 2614 C C44   . LIG_V  V  22 .   ? 20.795  11.187  6.876   1.00 1.42  1   V  1 
HETATM 2615 C C1    . LIG_W  W  23 .   ? 10.152  26.390  -4.923  1.00 1.81  1   W  1 
HETATM 2616 C C2    . LIG_W  W  23 .   ? 11.036  26.184  -4.460  1.00 1.95  1   W  1 
HETATM 2617 C C3    . LIG_W  W  23 .   ? 10.902  26.564  -3.733  1.00 1.84  1   W  1 
HETATM 2618 C C4    . LIG_W  W  23 .   ? 10.100  27.139  -3.400  1.00 2.20  1   W  1 
HETATM 2619 C C5    . LIG_W  W  23 .   ? 9.232   27.733  -3.205  1.00 1.94  1   W  1 
HETATM 2620 C C6    . LIG_W  W  23 .   ? 8.251   28.272  -3.225  1.00 1.80  1   W  1 
HETATM 2621 C C7    . LIG_W  W  23 .   ? 7.274   28.696  -3.421  1.00 1.68  1   W  1 
HETATM 2622 C C8    . LIG_W  W  23 .   ? 6.279   29.044  -3.736  1.00 1.64  1   W  1 
HETATM 2623 C C9    . LIG_W  W  23 .   ? 5.293   29.322  -4.090  1.00 1.64  1   W  1 
HETATM 2624 C C10   . LIG_W  W  23 .   ? 4.247   29.576  -4.452  1.00 1.70  1   W  1 
HETATM 2625 C C11   . LIG_W  W  23 .   ? 3.216   29.783  -4.808  1.00 1.59  1   W  1 
HETATM 2626 C C12   . LIG_W  W  23 .   ? 2.155   29.989  -5.160  1.00 1.57  1   W  1 
HETATM 2627 C C13   . LIG_W  W  23 .   ? 1.108   30.202  -5.513  1.00 1.33  1   W  1 
HETATM 2628 C C14   . LIG_W  W  23 .   ? 0.022   30.395  -5.799  1.00 1.31  1   W  1 
HETATM 2629 C C15   . LIG_W  W  23 .   ? -1.015  30.605  -6.148  1.00 1.29  1   W  1 
HETATM 2630 C C16   . LIG_W  W  23 .   ? -2.125  30.778  -6.356  1.00 1.28  1   W  1 
HETATM 2631 C C17   . LIG_W  W  23 .   ? -3.109  31.018  -6.792  1.00 1.24  1   W  1 
HETATM 2632 C C18   . LIG_W  W  23 .   ? -4.363  31.098  -6.582  1.00 1.31  1   W  1 
HETATM 2633 O O1    . LIG_W  W  23 .   ? -4.781  30.833  -5.523  1.00 1.57  1   W  1 
HETATM 2634 O O2    . LIG_W  W  23 .   ? -5.060  31.442  -7.491  1.00 1.53  1   W  1 
HETATM 2635 C C19   . LIG_W  W  23 .   ? -6.334  31.457  -7.256  1.00 1.25  1   W  1 
HETATM 2636 C C20   . LIG_W  W  23 .   ? -7.039  32.227  -8.254  1.00 1.26  1   W  1 
HETATM 2637 C C21   . LIG_W  W  23 .   ? -8.419  31.710  -8.426  1.00 1.31  1   W  1 
HETATM 2638 O O3    . LIG_W  W  23 .   ? -9.296  32.653  -8.160  1.00 1.28  1   W  1 
HETATM 2639 P P1    . LIG_W  W  23 .   ? -10.588 32.776  -8.968  1.00 1.24  1   W  1 
HETATM 2640 O O4    . LIG_W  W  23 .   ? -10.982 34.155  -8.917  1.00 1.18  1   W  1 
HETATM 2641 O O5    . LIG_W  W  23 .   ? -11.487 31.769  -8.618  1.00 1.16  1   W  1 
HETATM 2642 O O6    . LIG_W  W  23 .   ? -10.062 32.483  -10.406 1.00 1.29  1   W  1 
HETATM 2643 C C22   . LIG_W  W  23 .   ? -10.683 31.864  -11.357 1.00 1.30  1   W  1 
HETATM 2644 C C23   . LIG_W  W  23 .   ? -9.862  31.611  -12.488 1.00 1.31  1   W  1 
HETATM 2645 N N1    . LIG_W  W  23 .   ? -9.656  32.647  -13.406 1.00 1.97  1   W  1 
HETATM 2646 C C24   . LIG_W  W  23 .   ? -10.896 33.296  -13.684 1.00 1.38  1   W  1 
HETATM 2647 C C25   . LIG_W  W  23 .   ? -9.158  32.095  -14.565 1.00 1.43  1   W  1 
HETATM 2648 C C26   . LIG_W  W  23 .   ? -8.734  33.581  -12.886 1.00 1.51  1   W  1 
HETATM 2649 O O7    . LIG_W  W  23 .   ? -6.410  32.081  -9.469  1.00 1.46  1   W  1 
HETATM 2650 C C27   . LIG_W  W  23 .   ? -5.919  33.130  -9.960  1.00 1.44  1   W  1 
HETATM 2651 O O8    . LIG_W  W  23 .   ? -6.165  34.194  -9.489  1.00 1.40  1   W  1 
HETATM 2652 C C28   . LIG_W  W  23 .   ? -5.087  32.998  -10.926 1.00 1.32  1   W  1 
HETATM 2653 C C29   . LIG_W  W  23 .   ? -3.925  33.178  -10.934 1.00 1.41  1   W  1 
HETATM 2654 C C30   . LIG_W  W  23 .   ? -2.843  33.130  -10.736 1.00 1.36  1   W  1 
HETATM 2655 C C31   . LIG_W  W  23 .   ? -1.733  33.036  -10.499 1.00 1.34  1   W  1 
HETATM 2656 C C32   . LIG_W  W  23 .   ? -0.684  32.835  -10.221 1.00 1.49  1   W  1 
HETATM 2657 C C33   . LIG_W  W  23 .   ? 0.373   32.597  -9.934  1.00 1.48  1   W  1 
HETATM 2658 C C34   . LIG_W  W  23 .   ? 1.409   32.325  -9.629  1.00 1.49  1   W  1 
HETATM 2659 C C35   . LIG_W  W  23 .   ? 2.458   32.054  -9.320  1.00 1.50  1   W  1 
HETATM 2660 C C36   . LIG_W  W  23 .   ? 3.496   31.737  -8.991  1.00 1.59  1   W  1 
HETATM 2661 C C37   . LIG_W  W  23 .   ? 4.512   31.359  -8.644  1.00 1.62  1   W  1 
HETATM 2662 C C38   . LIG_W  W  23 .   ? 5.484   30.903  -8.274  1.00 1.49  1   W  1 
HETATM 2663 C C39   . LIG_W  W  23 .   ? 6.420   30.363  -7.873  1.00 1.51  1   W  1 
HETATM 2664 C C40   . LIG_W  W  23 .   ? 7.252   29.738  -7.445  1.00 1.78  1   W  1 
HETATM 2665 C C41   . LIG_W  W  23 .   ? 7.975   29.010  -6.984  1.00 1.57  1   W  1 
HETATM 2666 C C42   . LIG_W  W  23 .   ? 8.504   28.253  -6.529  1.00 1.56  1   W  1 
HETATM 2667 C C43   . LIG_W  W  23 .   ? 8.723   27.395  -6.053  1.00 1.37  1   W  1 
HETATM 2668 C C44   . LIG_W  W  23 .   ? 8.330   26.420  -5.538  1.00 1.43  1   W  1 
HETATM 2669 C C1    . LIG_X  X  24 .   ? 13.218  9.154   0.921   1.00 1.78  1   X  1 
HETATM 2670 C C2    . LIG_X  X  24 .   ? 12.721  9.839   0.263   1.00 1.88  1   X  1 
HETATM 2671 C C3    . LIG_X  X  24 .   ? 11.723  9.761   -0.298  1.00 1.77  1   X  1 
HETATM 2672 C C4    . LIG_X  X  24 .   ? 10.729  9.267   -0.506  1.00 2.00  1   X  1 
HETATM 2673 C C5    . LIG_X  X  24 .   ? 9.687   8.823   -0.715  1.00 1.90  1   X  1 
HETATM 2674 C C6    . LIG_X  X  24 .   ? 8.636   8.342   -0.823  1.00 1.78  1   X  1 
HETATM 2675 C C7    . LIG_X  X  24 .   ? 7.571   7.901   -0.853  1.00 1.68  1   X  1 
HETATM 2676 C C8    . LIG_X  X  24 .   ? 6.501   7.479   -0.791  1.00 1.76  1   X  1 
HETATM 2677 C C9    . LIG_X  X  24 .   ? 5.425   7.108   -0.683  1.00 1.82  1   X  1 
HETATM 2678 C C10   . LIG_X  X  24 .   ? 4.308   6.738   -0.577  1.00 2.04  1   X  1 
HETATM 2679 C C11   . LIG_X  X  24 .   ? 3.195   6.423   -0.492  1.00 1.93  1   X  1 
HETATM 2680 C C12   . LIG_X  X  24 .   ? 2.077   6.088   -0.440  1.00 2.14  1   X  1 
HETATM 2681 C C13   . LIG_X  X  24 .   ? 0.963   5.805   -0.363  1.00 1.61  1   X  1 
HETATM 2682 C C14   . LIG_X  X  24 .   ? -0.142  5.459   -0.337  1.00 1.72  1   X  1 
HETATM 2683 C C15   . LIG_X  X  24 .   ? -1.249  5.195   -0.278  1.00 1.75  1   X  1 
HETATM 2684 C C16   . LIG_X  X  24 .   ? -2.337  4.760   -0.270  1.00 1.78  1   X  1 
HETATM 2685 C C17   . LIG_X  X  24 .   ? -3.429  4.459   -0.194  1.00 1.59  1   X  1 
HETATM 2686 C C18   . LIG_X  X  24 .   ? -4.231  3.436   -0.369  1.00 1.95  1   X  1 
HETATM 2687 O O1    . LIG_X  X  24 .   ? -4.905  3.017   0.505   1.00 2.52  1   X  1 
HETATM 2688 O O2    . LIG_X  X  24 .   ? -4.137  2.941   -1.499  1.00 2.18  1   X  1 
HETATM 2689 C C19   . LIG_X  X  24 .   ? -4.792  1.818   -1.770  1.00 1.76  1   X  1 
HETATM 2690 C C20   . LIG_X  X  24 .   ? -4.464  1.343   -3.128  1.00 1.92  1   X  1 
HETATM 2691 C C21   . LIG_X  X  24 .   ? -5.462  0.344   -3.576  1.00 2.00  1   X  1 
HETATM 2692 O O3    . LIG_X  X  24 .   ? -6.662  0.587   -2.992  1.00 1.91  1   X  1 
HETATM 2693 P P1    . LIG_X  X  24 .   ? -8.000  0.433   -3.696  1.00 1.92  1   X  1 
HETATM 2694 O O4    . LIG_X  X  24 .   ? -8.115  1.341   -4.777  1.00 1.54  1   X  1 
HETATM 2695 O O5    . LIG_X  X  24 .   ? -9.011  0.394   -2.707  1.00 2.05  1   X  1 
HETATM 2696 O O6    . LIG_X  X  24 .   ? -7.844  -0.989  -4.292  1.00 1.94  1   X  1 
HETATM 2697 C C22   . LIG_X  X  24 .   ? -8.852  -1.627  -4.678  1.00 2.14  1   X  1 
HETATM 2698 C C23   . LIG_X  X  24 .   ? -8.608  -2.943  -4.987  1.00 2.27  1   X  1 
HETATM 2699 N N1    . LIG_X  X  24 .   ? -9.721  -3.754  -5.135  1.00 3.38  1   X  1 
HETATM 2700 C C24   . LIG_X  X  24 .   ? -9.264  -4.999  -5.628  1.00 2.36  1   X  1 
HETATM 2701 C C25   . LIG_X  X  24 .   ? -10.341 -3.929  -3.871  1.00 2.70  1   X  1 
HETATM 2702 C C26   . LIG_X  X  24 .   ? -10.661 -3.186  -6.028  1.00 2.42  1   X  1 
HETATM 2703 O O7    . LIG_X  X  24 .   ? -3.215  0.751   -3.061  1.00 2.13  1   X  1 
HETATM 2704 C C27   . LIG_X  X  24 .   ? -2.284  1.433   -3.605  1.00 2.23  1   X  1 
HETATM 2705 O O8    . LIG_X  X  24 .   ? -2.543  2.356   -4.335  1.00 1.91  1   X  1 
HETATM 2706 C C28   . LIG_X  X  24 .   ? -1.036  1.130   -3.321  1.00 1.95  1   X  1 
HETATM 2707 C C29   . LIG_X  X  24 .   ? -0.003  1.707   -3.263  1.00 1.98  1   X  1 
HETATM 2708 C C30   . LIG_X  X  24 .   ? 1.106   1.929   -3.044  1.00 1.93  1   X  1 
HETATM 2709 C C31   . LIG_X  X  24 .   ? 2.168   2.323   -2.833  1.00 1.75  1   X  1 
HETATM 2710 C C32   . LIG_X  X  24 .   ? 3.248   2.571   -2.544  1.00 1.92  1   X  1 
HETATM 2711 C C33   . LIG_X  X  24 .   ? 4.314   2.901   -2.239  1.00 1.85  1   X  1 
HETATM 2712 C C34   . LIG_X  X  24 .   ? 5.386   3.217   -1.887  1.00 1.86  1   X  1 
HETATM 2713 C C35   . LIG_X  X  24 .   ? 6.438   3.578   -1.492  1.00 1.78  1   X  1 
HETATM 2714 C C36   . LIG_X  X  24 .   ? 7.482   3.957   -1.065  1.00 1.95  1   X  1 
HETATM 2715 C C37   . LIG_X  X  24 .   ? 8.509   4.375   -0.621  1.00 1.98  1   X  1 
HETATM 2716 C C38   . LIG_X  X  24 .   ? 9.514   4.837   -0.155  1.00 1.71  1   X  1 
HETATM 2717 C C39   . LIG_X  X  24 .   ? 10.488  5.352   0.300   1.00 1.79  1   X  1 
HETATM 2718 C C40   . LIG_X  X  24 .   ? 11.432  5.901   0.722   1.00 1.94  1   X  1 
HETATM 2719 C C41   . LIG_X  X  24 .   ? 12.377  6.457   1.123   1.00 1.53  1   X  1 
HETATM 2720 C C42   . LIG_X  X  24 .   ? 13.275  6.979   1.526   1.00 1.46  1   X  1 
HETATM 2721 C C43   . LIG_X  X  24 .   ? 14.176  7.422   1.972   1.00 1.32  1   X  1 
HETATM 2722 C C44   . LIG_X  X  24 .   ? 15.142  7.811   2.490   1.00 1.42  1   X  1 
HETATM 2723 C C1    . LIG_Y  Y  25 .   ? -3.256  25.164  3.281   1.00 1.96  1   Y  1 
HETATM 2724 C C2    . LIG_Y  Y  25 .   ? -3.761  25.777  4.194   1.00 2.06  1   Y  1 
HETATM 2725 C C3    . LIG_Y  Y  25 .   ? -4.778  26.043  4.738   1.00 1.89  1   Y  1 
HETATM 2726 C C4    . LIG_Y  Y  25 .   ? -5.928  26.066  4.945   1.00 2.16  1   Y  1 
HETATM 2727 C C5    . LIG_Y  Y  25 .   ? -7.080  26.075  5.070   1.00 1.82  1   Y  1 
HETATM 2728 C C6    . LIG_Y  Y  25 .   ? -8.231  26.003  4.958   1.00 1.70  1   Y  1 
HETATM 2729 C C7    . LIG_Y  Y  25 .   ? -9.316  25.870  4.688   1.00 1.59  1   Y  1 
HETATM 2730 C C8    . LIG_Y  Y  25 .   ? -10.353 25.690  4.278   1.00 1.61  1   Y  1 
HETATM 2731 C C9    . LIG_Y  Y  25 .   ? -11.346 25.465  3.831   1.00 1.56  1   Y  1 
HETATM 2732 C C10   . LIG_Y  Y  25 .   ? -12.367 25.207  3.367   1.00 1.62  1   Y  1 
HETATM 2733 C C11   . LIG_Y  Y  25 .   ? -13.359 24.939  2.939   1.00 1.52  1   Y  1 
HETATM 2734 C C12   . LIG_Y  Y  25 .   ? -14.354 24.623  2.525   1.00 1.51  1   Y  1 
HETATM 2735 C C13   . LIG_Y  Y  25 .   ? -15.300 24.292  2.072   1.00 1.29  1   Y  1 
HETATM 2736 C C14   . LIG_Y  Y  25 .   ? -16.201 23.901  1.508   1.00 1.28  1   Y  1 
HETATM 2737 C C15   . LIG_Y  Y  25 .   ? -16.983 23.483  0.924   1.00 1.28  1   Y  1 
HETATM 2738 C C16   . LIG_Y  Y  25 .   ? -17.749 23.015  0.178   1.00 1.28  1   Y  1 
HETATM 2739 C C17   . LIG_Y  Y  25 .   ? -18.146 22.569  -0.636  1.00 1.22  1   Y  1 
HETATM 2740 C C18   . LIG_Y  Y  25 .   ? -18.948 22.081  -1.506  1.00 1.27  1   Y  1 
HETATM 2741 O O1    . LIG_Y  Y  25 .   ? -20.101 22.013  -1.299  1.00 1.47  1   Y  1 
HETATM 2742 O O2    . LIG_Y  Y  25 .   ? -18.382 21.716  -2.520  1.00 1.43  1   Y  1 
HETATM 2743 C C19   . LIG_Y  Y  25 .   ? -19.133 21.219  -3.473  1.00 1.22  1   Y  1 
HETATM 2744 C C20   . LIG_Y  Y  25 .   ? -18.408 21.059  -4.699  1.00 1.22  1   Y  1 
HETATM 2745 C C21   . LIG_Y  Y  25 .   ? -19.221 20.332  -5.697  1.00 1.25  1   Y  1 
HETATM 2746 O O3    . LIG_Y  Y  25 .   ? -20.332 20.928  -6.005  1.00 1.25  1   Y  1 
HETATM 2747 P P1    . LIG_Y  Y  25 .   ? -21.156 20.575  -7.269  1.00 1.22  1   Y  1 
HETATM 2748 O O4    . LIG_Y  Y  25 .   ? -22.473 20.246  -6.836  1.00 1.14  1   Y  1 
HETATM 2749 O O5    . LIG_Y  Y  25 .   ? -20.929 21.555  -8.242  1.00 1.12  1   Y  1 
HETATM 2750 O O6    . LIG_Y  Y  25 .   ? -20.458 19.286  -7.775  1.00 1.26  1   Y  1 
HETATM 2751 C C22   . LIG_Y  Y  25 .   ? -20.745 18.108  -7.478  1.00 1.27  1   Y  1 
HETATM 2752 C C23   . LIG_Y  Y  25 .   ? -21.083 17.326  -8.569  1.00 1.27  1   Y  1 
HETATM 2753 N N1    . LIG_Y  Y  25 .   ? -20.562 16.089  -8.664  1.00 1.74  1   Y  1 
HETATM 2754 C C24   . LIG_Y  Y  25 .   ? -20.800 15.647  -9.983  1.00 1.25  1   Y  1 
HETATM 2755 C C25   . LIG_Y  Y  25 .   ? -21.217 15.245  -7.733  1.00 1.33  1   Y  1 
HETATM 2756 C C26   . LIG_Y  Y  25 .   ? -19.173 16.124  -8.395  1.00 1.33  1   Y  1 
HETATM 2757 O O7    . LIG_Y  Y  25 .   ? -17.333 20.262  -4.477  1.00 1.37  1   Y  1 
HETATM 2758 C C27   . LIG_Y  Y  25 .   ? -16.375 20.515  -5.204  1.00 1.36  1   Y  1 
HETATM 2759 O O8    . LIG_Y  Y  25 .   ? -16.408 21.277  -6.106  1.00 1.33  1   Y  1 
HETATM 2760 C C28   . LIG_Y  Y  25 .   ? -15.324 19.890  -4.848  1.00 1.28  1   Y  1 
HETATM 2761 C C29   . LIG_Y  Y  25 .   ? -14.267 19.909  -4.740  1.00 1.33  1   Y  1 
HETATM 2762 C C30   . LIG_Y  Y  25 .   ? -13.233 19.677  -4.411  1.00 1.34  1   Y  1 
HETATM 2763 C C31   . LIG_Y  Y  25 .   ? -12.202 19.638  -4.085  1.00 1.30  1   Y  1 
HETATM 2764 C C32   . LIG_Y  Y  25 .   ? -11.179 19.528  -3.700  1.00 1.42  1   Y  1 
HETATM 2765 C C33   . LIG_Y  Y  25 .   ? -10.160 19.470  -3.303  1.00 1.42  1   Y  1 
HETATM 2766 C C34   . LIG_Y  Y  25 .   ? -9.126  19.420  -2.903  1.00 1.43  1   Y  1 
HETATM 2767 C C35   . LIG_Y  Y  25 .   ? -8.098  19.439  -2.513  1.00 1.42  1   Y  1 
HETATM 2768 C C36   . LIG_Y  Y  25 .   ? -7.084  19.570  -2.095  1.00 1.49  1   Y  1 
HETATM 2769 C C37   . LIG_Y  Y  25 .   ? -6.095  19.861  -1.675  1.00 1.52  1   Y  1 
HETATM 2770 C C38   . LIG_Y  Y  25 .   ? -5.135  20.258  -1.263  1.00 1.42  1   Y  1 
HETATM 2771 C C39   . LIG_Y  Y  25 .   ? -4.193  20.737  -0.843  1.00 1.43  1   Y  1 
HETATM 2772 C C40   . LIG_Y  Y  25 .   ? -3.325  21.307  -0.436  1.00 1.63  1   Y  1 
HETATM 2773 C C41   . LIG_Y  Y  25 .   ? -2.475  21.920  -0.059  1.00 1.43  1   Y  1 
HETATM 2774 C C42   . LIG_Y  Y  25 .   ? -1.650  22.496  0.245   1.00 1.45  1   Y  1 
HETATM 2775 C C43   . LIG_Y  Y  25 .   ? -0.718  22.966  0.423   1.00 1.30  1   Y  1 
HETATM 2776 C C44   . LIG_Y  Y  25 .   ? 0.297   23.382  0.481   1.00 1.36  1   Y  1 
HETATM 2777 C C1    . LIG_Z  Z  26 .   ? 7.552   26.669  8.445   1.00 1.90  1   Z  1 
HETATM 2778 C C2    . LIG_Z  Z  26 .   ? 7.932   26.029  9.193   1.00 2.03  1   Z  1 
HETATM 2779 C C3    . LIG_Z  Z  26 .   ? 7.375   25.384  9.895   1.00 1.89  1   Z  1 
HETATM 2780 C C4    . LIG_Z  Z  26 .   ? 6.477   24.985  10.354  1.00 2.16  1   Z  1 
HETATM 2781 C C5    . LIG_Z  Z  26 .   ? 5.558   24.582  10.798  1.00 1.79  1   Z  1 
HETATM 2782 C C6    . LIG_Z  Z  26 .   ? 4.614   24.220  11.228  1.00 1.66  1   Z  1 
HETATM 2783 C C7    . LIG_Z  Z  26 .   ? 3.708   23.865  11.706  1.00 1.57  1   Z  1 
HETATM 2784 C C8    . LIG_Z  Z  26 .   ? 2.809   23.550  12.230  1.00 1.53  1   Z  1 
HETATM 2785 C C9    . LIG_Z  Z  26 .   ? 1.923   23.247  12.784  1.00 1.52  1   Z  1 
HETATM 2786 C C10   . LIG_Z  Z  26 .   ? 0.995   22.972  13.380  1.00 1.61  1   Z  1 
HETATM 2787 C C11   . LIG_Z  Z  26 .   ? 0.077   22.742  13.945  1.00 1.50  1   Z  1 
HETATM 2788 C C12   . LIG_Z  Z  26 .   ? -0.887  22.548  14.468  1.00 1.51  1   Z  1 
HETATM 2789 C C13   . LIG_Z  Z  26 .   ? -1.888  22.423  14.913  1.00 1.28  1   Z  1 
HETATM 2790 C C14   . LIG_Z  Z  26 .   ? -2.925  22.347  15.296  1.00 1.30  1   Z  1 
HETATM 2791 C C15   . LIG_Z  Z  26 .   ? -4.000  22.332  15.565  1.00 1.29  1   Z  1 
HETATM 2792 C C16   . LIG_Z  Z  26 .   ? -5.080  22.321  15.773  1.00 1.29  1   Z  1 
HETATM 2793 C C17   . LIG_Z  Z  26 .   ? -6.185  22.312  15.799  1.00 1.21  1   Z  1 
HETATM 2794 C C18   . LIG_Z  Z  26 .   ? -7.129  21.625  15.302  1.00 1.28  1   Z  1 
HETATM 2795 O O1    . LIG_Z  Z  26 .   ? -7.161  20.462  15.511  1.00 1.58  1   Z  1 
HETATM 2796 O O2    . LIG_Z  Z  26 .   ? -7.904  22.219  14.561  1.00 1.49  1   Z  1 
HETATM 2797 C C19   . LIG_Z  Z  26 .   ? -8.918  21.527  14.092  1.00 1.22  1   Z  1 
HETATM 2798 C C20   . LIG_Z  Z  26 .   ? -9.531  22.176  12.951  1.00 1.24  1   Z  1 
HETATM 2799 C C21   . LIG_Z  Z  26 .   ? -10.991 21.962  12.883  1.00 1.26  1   Z  1 
HETATM 2800 O O3    . LIG_Z  Z  26 .   ? -11.610 22.436  13.908  1.00 1.28  1   Z  1 
HETATM 2801 P P1    . LIG_Z  Z  26 .   ? -12.422 23.763  13.842  1.00 1.21  1   Z  1 
HETATM 2802 O O4    . LIG_Z  Z  26 .   ? -13.732 23.444  13.357  1.00 1.15  1   Z  1 
HETATM 2803 O O5    . LIG_Z  Z  26 .   ? -11.715 24.755  13.198  1.00 1.16  1   Z  1 
HETATM 2804 O O6    . LIG_Z  Z  26 .   ? -12.483 23.926  15.331  1.00 1.28  1   Z  1 
HETATM 2805 C C22   . LIG_Z  Z  26 .   ? -13.102 23.082  16.095  1.00 1.29  1   Z  1 
HETATM 2806 C C23   . LIG_Z  Z  26 .   ? -12.529 22.999  17.353  1.00 1.30  1   Z  1 
HETATM 2807 N N1    . LIG_Z  Z  26 .   ? -13.125 22.133  18.257  1.00 1.78  1   Z  1 
HETATM 2808 C C24   . LIG_Z  Z  26 .   ? -14.501 22.469  18.422  1.00 1.27  1   Z  1 
HETATM 2809 C C25   . LIG_Z  Z  26 .   ? -12.447 22.262  19.477  1.00 1.35  1   Z  1 
HETATM 2810 C C26   . LIG_Z  Z  26 .   ? -13.023 20.801  17.769  1.00 1.37  1   Z  1 
HETATM 2811 O O7    . LIG_Z  Z  26 .   ? -9.070  21.540  11.825  1.00 1.40  1   Z  1 
HETATM 2812 C C27   . LIG_Z  Z  26 .   ? -8.953  22.261  10.836  1.00 1.39  1   Z  1 
HETATM 2813 O O8    . LIG_Z  Z  26 .   ? -9.223  23.419  10.843  1.00 1.33  1   Z  1 
HETATM 2814 C C28   . LIG_Z  Z  26 .   ? -8.443  21.673  9.799   1.00 1.31  1   Z  1 
HETATM 2815 C C29   . LIG_Z  Z  26 .   ? -7.541  21.949  9.165   1.00 1.36  1   Z  1 
HETATM 2816 C C30   . LIG_Z  Z  26 .   ? -6.570  22.413  8.997   1.00 1.37  1   Z  1 
HETATM 2817 C C31   . LIG_Z  Z  26 .   ? -5.574  22.871  8.789   1.00 1.31  1   Z  1 
HETATM 2818 C C32   . LIG_Z  Z  26 .   ? -4.587  23.337  8.664   1.00 1.46  1   Z  1 
HETATM 2819 C C33   . LIG_Z  Z  26 .   ? -3.601  23.816  8.508   1.00 1.42  1   Z  1 
HETATM 2820 C C34   . LIG_Z  Z  26 .   ? -2.614  24.289  8.340   1.00 1.40  1   Z  1 
HETATM 2821 C C35   . LIG_Z  Z  26 .   ? -1.617  24.761  8.150   1.00 1.42  1   Z  1 
HETATM 2822 C C36   . LIG_Z  Z  26 .   ? -0.616  25.218  7.937   1.00 1.47  1   Z  1 
HETATM 2823 C C37   . LIG_Z  Z  26 .   ? 0.397   25.668  7.713   1.00 1.51  1   Z  1 
HETATM 2824 C C38   . LIG_Z  Z  26 .   ? 1.420   26.106  7.500   1.00 1.42  1   Z  1 
HETATM 2825 C C39   . LIG_Z  Z  26 .   ? 2.479   26.529  7.308   1.00 1.48  1   Z  1 
HETATM 2826 C C40   . LIG_Z  Z  26 .   ? 3.548   26.894  7.161   1.00 1.70  1   Z  1 
HETATM 2827 C C41   . LIG_Z  Z  26 .   ? 4.635   27.208  7.026   1.00 1.45  1   Z  1 
HETATM 2828 C C42   . LIG_Z  Z  26 .   ? 5.697   27.457  6.919   1.00 1.49  1   Z  1 
HETATM 2829 C C43   . LIG_Z  Z  26 .   ? 6.754   27.691  6.778   1.00 1.32  1   Z  1 
HETATM 2830 C C44   . LIG_Z  Z  26 .   ? 7.884   27.994  6.532   1.00 1.40  1   Z  1 
HETATM 2831 C C1    . LIG_AA AA 27 .   ? 7.934   21.723  -13.215 1.00 1.84  1   AA 1 
HETATM 2832 C C2    . LIG_AA AA 27 .   ? 7.549   20.836  -13.249 1.00 1.98  1   AA 1 
HETATM 2833 C C3    . LIG_AA AA 27 .   ? 6.607   20.536  -13.733 1.00 1.88  1   AA 1 
HETATM 2834 C C4    . LIG_AA AA 27 .   ? 5.647   20.711  -14.202 1.00 2.08  1   AA 1 
HETATM 2835 C C5    . LIG_AA AA 27 .   ? 4.673   20.755  -14.691 1.00 1.91  1   AA 1 
HETATM 2836 C C6    . LIG_AA AA 27 .   ? 3.708   20.860  -15.185 1.00 1.75  1   AA 1 
HETATM 2837 C C7    . LIG_AA AA 27 .   ? 2.751   20.903  -15.684 1.00 1.62  1   AA 1 
HETATM 2838 C C8    . LIG_AA AA 27 .   ? 1.802   20.926  -16.227 1.00 1.62  1   AA 1 
HETATM 2839 C C9    . LIG_AA AA 27 .   ? 0.874   20.908  -16.782 1.00 1.62  1   AA 1 
HETATM 2840 C C10   . LIG_AA AA 27 .   ? -0.080  20.857  -17.386 1.00 1.67  1   AA 1 
HETATM 2841 C C11   . LIG_AA AA 27 .   ? -1.012  20.815  -17.989 1.00 1.59  1   AA 1 
HETATM 2842 C C12   . LIG_AA AA 27 .   ? -1.928  20.740  -18.616 1.00 1.59  1   AA 1 
HETATM 2843 C C13   . LIG_AA AA 27 .   ? -2.820  20.678  -19.249 1.00 1.33  1   AA 1 
HETATM 2844 C C14   . LIG_AA AA 27 .   ? -3.694  20.535  -19.915 1.00 1.31  1   AA 1 
HETATM 2845 C C15   . LIG_AA AA 27 .   ? -4.559  20.468  -20.567 1.00 1.31  1   AA 1 
HETATM 2846 C C16   . LIG_AA AA 27 .   ? -5.403  20.199  -21.247 1.00 1.30  1   AA 1 
HETATM 2847 C C17   . LIG_AA AA 27 .   ? -6.284  20.093  -21.872 1.00 1.26  1   AA 1 
HETATM 2848 C C18   . LIG_AA AA 27 .   ? -6.886  19.250  -22.587 1.00 1.30  1   AA 1 
HETATM 2849 O O1    . LIG_AA AA 27 .   ? -7.952  18.880  -22.289 1.00 1.57  1   AA 1 
HETATM 2850 O O2    . LIG_AA AA 27 .   ? -6.215  18.829  -23.508 1.00 1.54  1   AA 1 
HETATM 2851 C C19   . LIG_AA AA 27 .   ? -6.707  17.824  -24.158 1.00 1.25  1   AA 1 
HETATM 2852 C C20   . LIG_AA AA 27 .   ? -5.820  17.352  -25.226 1.00 1.26  1   AA 1 
HETATM 2853 C C21   . LIG_AA AA 27 .   ? -6.601  16.405  -26.049 1.00 1.30  1   AA 1 
HETATM 2854 O O3    . LIG_AA AA 27 .   ? -7.760  17.020  -26.354 1.00 1.27  1   AA 1 
HETATM 2855 P P1    . LIG_AA AA 27 .   ? -8.872  16.397  -27.220 1.00 1.23  1   AA 1 
HETATM 2856 O O4    . LIG_AA AA 27 .   ? -9.798  17.458  -27.476 1.00 1.18  1   AA 1 
HETATM 2857 O O5    . LIG_AA AA 27 .   ? -9.355  15.229  -26.668 1.00 1.16  1   AA 1 
HETATM 2858 O O6    . LIG_AA AA 27 .   ? -8.126  16.064  -28.503 1.00 1.29  1   AA 1 
HETATM 2859 C C22   . LIG_AA AA 27 .   ? -8.033  16.916  -29.418 1.00 1.30  1   AA 1 
HETATM 2860 C C23   . LIG_AA AA 27 .   ? -7.411  16.509  -30.593 1.00 1.29  1   AA 1 
HETATM 2861 N N1    . LIG_AA AA 27 .   ? -6.654  17.470  -31.220 1.00 1.82  1   AA 1 
HETATM 2862 C C24   . LIG_AA AA 27 .   ? -7.412  18.672  -31.366 1.00 1.36  1   AA 1 
HETATM 2863 C C25   . LIG_AA AA 27 .   ? -6.279  16.969  -32.460 1.00 1.40  1   AA 1 
HETATM 2864 C C26   . LIG_AA AA 27 .   ? -5.520  17.745  -30.412 1.00 1.50  1   AA 1 
HETATM 2865 O O7    . LIG_AA AA 27 .   ? -4.773  16.705  -24.611 1.00 1.44  1   AA 1 
HETATM 2866 C C27   . LIG_AA AA 27 .   ? -3.633  17.143  -24.912 1.00 1.46  1   AA 1 
HETATM 2867 O O8    . LIG_AA AA 27 .   ? -3.442  17.773  -25.894 1.00 1.38  1   AA 1 
HETATM 2868 C C28   . LIG_AA AA 27 .   ? -2.686  16.896  -24.055 1.00 1.33  1   AA 1 
HETATM 2869 C C29   . LIG_AA AA 27 .   ? -1.862  17.470  -23.519 1.00 1.39  1   AA 1 
HETATM 2870 C C30   . LIG_AA AA 27 .   ? -1.021  17.839  -22.876 1.00 1.39  1   AA 1 
HETATM 2871 C C31   . LIG_AA AA 27 .   ? -0.213  18.377  -22.288 1.00 1.36  1   AA 1 
HETATM 2872 C C32   . LIG_AA AA 27 .   ? 0.634   18.834  -21.698 1.00 1.52  1   AA 1 
HETATM 2873 C C33   . LIG_AA AA 27 .   ? 1.481   19.342  -21.120 1.00 1.51  1   AA 1 
HETATM 2874 C C34   . LIG_AA AA 27 .   ? 2.327   19.837  -20.526 1.00 1.50  1   AA 1 
HETATM 2875 C C35   . LIG_AA AA 27 .   ? 3.159   20.355  -19.919 1.00 1.52  1   AA 1 
HETATM 2876 C C36   . LIG_AA AA 27 .   ? 3.969   20.865  -19.281 1.00 1.60  1   AA 1 
HETATM 2877 C C37   . LIG_AA AA 27 .   ? 4.771   21.356  -18.616 1.00 1.62  1   AA 1 
HETATM 2878 C C38   . LIG_AA AA 27 .   ? 5.545   21.796  -17.891 1.00 1.53  1   AA 1 
HETATM 2879 C C39   . LIG_AA AA 27 .   ? 6.288   22.170  -17.101 1.00 1.57  1   AA 1 
HETATM 2880 C C40   . LIG_AA AA 27 .   ? 6.995   22.441  -16.251 1.00 1.72  1   AA 1 
HETATM 2881 C C41   . LIG_AA AA 27 .   ? 7.641   22.650  -15.346 1.00 1.54  1   AA 1 
HETATM 2882 C C42   . LIG_AA AA 27 .   ? 8.224   22.789  -14.426 1.00 1.50  1   AA 1 
HETATM 2883 C C43   . LIG_AA AA 27 .   ? 8.806   22.897  -13.493 1.00 1.32  1   AA 1 
HETATM 2884 C C44   . LIG_AA AA 27 .   ? 9.422   23.039  -12.515 1.00 1.41  1   AA 1 
HETATM 2885 C C1    . LIG_BA BA 28 .   ? 10.236  23.914  -7.591  1.00 1.56  1   BA 1 
HETATM 2886 C C2    . LIG_BA BA 28 .   ? 10.568  24.411  -8.064  1.00 1.81  1   BA 1 
HETATM 2887 C C3    . LIG_BA BA 28 .   ? 10.063  25.067  -8.655  1.00 1.77  1   BA 1 
HETATM 2888 C C4    . LIG_BA BA 28 .   ? 9.249   25.598  -9.082  1.00 1.97  1   BA 1 
HETATM 2889 C C5    . LIG_BA BA 28 .   ? 8.405   26.138  -9.578  1.00 1.87  1   BA 1 
HETATM 2890 C C6    . LIG_BA BA 28 .   ? 7.508   26.617  -10.068 1.00 1.74  1   BA 1 
HETATM 2891 C C7    . LIG_BA BA 28 .   ? 6.625   27.057  -10.571 1.00 1.64  1   BA 1 
HETATM 2892 C C8    . LIG_BA BA 28 .   ? 5.728   27.451  -11.093 1.00 1.67  1   BA 1 
HETATM 2893 C C9    . LIG_BA BA 28 .   ? 4.854   27.799  -11.649 1.00 1.66  1   BA 1 
HETATM 2894 C C10   . LIG_BA BA 28 .   ? 3.964   28.126  -12.266 1.00 1.70  1   BA 1 
HETATM 2895 C C11   . LIG_BA BA 28 .   ? 3.092   28.391  -12.900 1.00 1.64  1   BA 1 
HETATM 2896 C C12   . LIG_BA BA 28 .   ? 2.235   28.602  -13.594 1.00 1.64  1   BA 1 
HETATM 2897 C C13   . LIG_BA BA 28 .   ? 1.384   28.754  -14.289 1.00 1.38  1   BA 1 
HETATM 2898 C C14   . LIG_BA BA 28 .   ? 0.558   28.833  -15.047 1.00 1.37  1   BA 1 
HETATM 2899 C C15   . LIG_BA BA 28 .   ? -0.259  28.863  -15.777 1.00 1.36  1   BA 1 
HETATM 2900 C C16   . LIG_BA BA 28 .   ? -1.005  28.814  -16.637 1.00 1.32  1   BA 1 
HETATM 2901 C C17   . LIG_BA BA 28 .   ? -1.839  28.842  -17.287 1.00 1.26  1   BA 1 
HETATM 2902 C C18   . LIG_BA BA 28 .   ? -2.427  28.708  -18.412 1.00 1.31  1   BA 1 
HETATM 2903 O O1    . LIG_BA BA 28 .   ? -1.851  28.304  -19.341 1.00 1.55  1   BA 1 
HETATM 2904 O O2    . LIG_BA BA 28 .   ? -3.580  28.988  -18.423 1.00 1.54  1   BA 1 
HETATM 2905 C C19   . LIG_BA BA 28 .   ? -4.172  28.926  -19.596 1.00 1.24  1   BA 1 
HETATM 2906 C C20   . LIG_BA BA 28 .   ? -5.567  29.197  -19.462 1.00 1.24  1   BA 1 
HETATM 2907 C C21   . LIG_BA BA 28 .   ? -6.202  29.696  -20.704 1.00 1.27  1   BA 1 
HETATM 2908 O O3    . LIG_BA BA 28 .   ? -5.574  29.353  -21.767 1.00 1.24  1   BA 1 
HETATM 2909 P P1    . LIG_BA BA 28 .   ? -6.165  29.695  -23.148 1.00 1.24  1   BA 1 
HETATM 2910 O O4    . LIG_BA BA 28 .   ? -5.073  29.831  -24.035 1.00 1.17  1   BA 1 
HETATM 2911 O O5    . LIG_BA BA 28 .   ? -7.119  30.692  -23.064 1.00 1.15  1   BA 1 
HETATM 2912 O O6    . LIG_BA BA 28 .   ? -6.841  28.311  -23.462 1.00 1.22  1   BA 1 
HETATM 2913 C C22   . LIG_BA BA 28 .   ? -8.076  28.129  -23.682 1.00 1.27  1   BA 1 
HETATM 2914 C C23   . LIG_BA BA 28 .   ? -8.275  26.904  -23.258 1.00 1.25  1   BA 1 
HETATM 2915 N N1    . LIG_BA BA 28 .   ? -7.409  26.446  -22.640 1.00 1.81  1   BA 1 
HETATM 2916 O O7    . LIG_BA BA 28 .   ? -5.760  30.208  -18.561 1.00 1.36  1   BA 1 
HETATM 2917 C C24   . LIG_BA BA 28 .   ? -6.652  30.018  -17.701 1.00 1.33  1   BA 1 
HETATM 2918 O O8    . LIG_BA BA 28 .   ? -7.496  29.188  -17.795 1.00 1.35  1   BA 1 
HETATM 2919 C C25   . LIG_BA BA 28 .   ? -6.526  30.727  -16.630 1.00 1.32  1   BA 1 
HETATM 2920 C C26   . LIG_BA BA 28 .   ? -5.869  30.486  -15.694 1.00 1.44  1   BA 1 
HETATM 2921 C C27   . LIG_BA BA 28 .   ? -5.243  30.307  -14.863 1.00 1.49  1   BA 1 
HETATM 2922 C C28   . LIG_BA BA 28 .   ? -4.526  30.057  -14.046 1.00 1.36  1   BA 1 
HETATM 2923 C C29   . LIG_BA BA 28 .   ? -3.788  29.815  -13.293 1.00 1.41  1   BA 1 
HETATM 2924 C C30   . LIG_BA BA 28 .   ? -3.007  29.534  -12.568 1.00 1.48  1   BA 1 
HETATM 2925 C C31   . LIG_BA BA 28 .   ? -2.197  29.196  -11.909 1.00 1.46  1   BA 1 
HETATM 2926 C C32   . LIG_BA BA 28 .   ? -1.380  28.805  -11.297 1.00 1.56  1   BA 1 
HETATM 2927 C C33   . LIG_BA BA 28 .   ? -0.529  28.338  -10.769 1.00 1.51  1   BA 1 
HETATM 2928 C C34   . LIG_BA BA 28 .   ? 0.344   27.830  -10.278 1.00 1.50  1   BA 1 
HETATM 2929 C C35   . LIG_BA BA 28 .   ? 1.250   27.323  -9.832  1.00 1.53  1   BA 1 
HETATM 2930 C C36   . LIG_BA BA 28 .   ? 2.182   26.821  -9.407  1.00 1.60  1   BA 1 
HETATM 2931 C C37   . LIG_BA BA 28 .   ? 3.149   26.338  -9.001  1.00 1.59  1   BA 1 
HETATM 2932 C C38   . LIG_BA BA 28 .   ? 4.144   25.884  -8.605  1.00 1.46  1   BA 1 
HETATM 2933 C C39   . LIG_BA BA 28 .   ? 5.128   25.456  -8.217  1.00 1.56  1   BA 1 
HETATM 2934 C C40   . LIG_BA BA 28 .   ? 6.097   25.063  -7.858  1.00 1.45  1   BA 1 
HETATM 2935 C C41   . LIG_BA BA 28 .   ? 7.015   24.673  -7.536  1.00 1.31  1   BA 1 
HETATM 2936 C C1    . LIG_AB AB 29 .   ? 18.530  9.960   -3.931  1.00 1.72  1   AB 1 
HETATM 2937 C C2    . LIG_AB AB 29 .   ? 18.088  10.726  -4.812  1.00 1.82  1   AB 1 
HETATM 2938 C C3    . LIG_AB AB 29 .   ? 18.670  11.212  -5.630  1.00 1.74  1   AB 1 
HETATM 2939 C C4    . LIG_AB AB 29 .   ? 19.721  11.234  -6.004  1.00 1.93  1   AB 1 
HETATM 2940 C C5    . LIG_AB AB 29 .   ? 20.793  11.163  -6.243  1.00 1.80  1   AB 1 
HETATM 2941 C C6    . LIG_AB AB 29 .   ? 21.905  11.024  -6.316  1.00 1.64  1   AB 1 
HETATM 2942 C C7    . LIG_AB AB 29 .   ? 22.962  10.861  -6.198  1.00 1.58  1   AB 1 
HETATM 2943 C C8    . LIG_AB AB 29 .   ? 23.957  10.637  -5.868  1.00 1.54  1   AB 1 
HETATM 2944 C C9    . LIG_AB AB 29 .   ? 24.870  10.348  -5.419  1.00 1.58  1   AB 1 
HETATM 2945 C C10   . LIG_AB AB 29 .   ? 25.742  9.984   -4.852  1.00 1.62  1   AB 1 
HETATM 2946 C C11   . LIG_AB AB 29 .   ? 26.556  9.621   -4.246  1.00 1.51  1   AB 1 
HETATM 2947 C C12   . LIG_AB AB 29 .   ? 27.411  9.275   -3.631  1.00 1.53  1   AB 1 
HETATM 2948 C C13   . LIG_AB AB 29 .   ? 28.285  8.969   -3.080  1.00 1.30  1   AB 1 
HETATM 2949 C C14   . LIG_AB AB 29 .   ? 29.220  8.737   -2.524  1.00 1.29  1   AB 1 
HETATM 2950 C C15   . LIG_AB AB 29 .   ? 30.175  8.552   -2.084  1.00 1.27  1   AB 1 
HETATM 2951 C C16   . LIG_AB AB 29 .   ? 31.176  8.491   -1.554  1.00 1.25  1   AB 1 
HETATM 2952 C C17   . LIG_AB AB 29 .   ? 32.175  8.355   -1.273  1.00 1.21  1   AB 1 
HETATM 2953 C C18   . LIG_AB AB 29 .   ? 33.173  8.547   -0.477  1.00 1.28  1   AB 1 
HETATM 2954 O O1    . LIG_AB AB 29 .   ? 33.047  9.139   0.508   1.00 1.68  1   AB 1 
HETATM 2955 O O2    . LIG_AB AB 29 .   ? 34.221  8.070   -0.867  1.00 1.58  1   AB 1 
HETATM 2956 C C19   . LIG_AB AB 29 .   ? 35.200  8.021   -0.006  1.00 1.22  1   AB 1 
HETATM 2957 C C20   . LIG_AB AB 29 .   ? 35.463  6.672   0.448   1.00 1.23  1   AB 1 
HETATM 2958 C C21   . LIG_AB AB 29 .   ? 36.854  6.470   0.886   1.00 1.26  1   AB 1 
HETATM 2959 O O3    . LIG_AB AB 29 .   ? 36.983  6.716   2.175   1.00 1.34  1   AB 1 
HETATM 2960 P P1    . LIG_AB AB 29 .   ? 37.809  5.805   3.108   1.00 1.33  1   AB 1 
HETATM 2961 O O4    . LIG_AB AB 29 .   ? 38.256  6.621   4.183   1.00 1.22  1   AB 1 
HETATM 2962 O O5    . LIG_AB AB 29 .   ? 37.132  4.632   3.384   1.00 1.22  1   AB 1 
HETATM 2963 O O6    . LIG_AB AB 29 .   ? 39.030  5.436   2.233   1.00 1.34  1   AB 1 
HETATM 2964 C C22   . LIG_AB AB 29 .   ? 40.132  4.959   2.695   1.00 1.31  1   AB 1 
HETATM 2965 C C23   . LIG_AB AB 29 .   ? 41.075  4.668   1.697   1.00 1.30  1   AB 1 
HETATM 2966 N N1    . LIG_AB AB 29 .   ? 41.916  5.691   1.239   1.00 1.90  1   AB 1 
HETATM 2967 C C24   . LIG_AB AB 29 .   ? 41.155  6.625   0.491   1.00 1.42  1   AB 1 
HETATM 2968 C C25   . LIG_AB AB 29 .   ? 42.894  5.143   0.425   1.00 1.44  1   AB 1 
HETATM 2969 C C26   . LIG_AB AB 29 .   ? 42.530  6.353   2.340   1.00 1.46  1   AB 1 
HETATM 2970 O O7    . LIG_AB AB 29 .   ? 35.249  5.783   -0.577  1.00 1.41  1   AB 1 
HETATM 2971 C C27   . LIG_AB AB 29 .   ? 34.348  4.951   -0.355  1.00 1.41  1   AB 1 
HETATM 2972 O O8    . LIG_AB AB 29 .   ? 33.893  4.827   0.742   1.00 1.42  1   AB 1 
HETATM 2973 C C28   . LIG_AB AB 29 .   ? 33.848  4.289   -1.319  1.00 1.30  1   AB 1 
HETATM 2974 C C29   . LIG_AB AB 29 .   ? 32.728  3.911   -1.410  1.00 1.35  1   AB 1 
HETATM 2975 C C30   . LIG_AB AB 29 .   ? 31.712  3.653   -1.469  1.00 1.32  1   AB 1 
HETATM 2976 C C31   . LIG_AB AB 29 .   ? 30.617  3.447   -1.505  1.00 1.36  1   AB 1 
HETATM 2977 C C32   . LIG_AB AB 29 .   ? 29.551  3.361   -1.532  1.00 1.47  1   AB 1 
HETATM 2978 C C33   . LIG_AB AB 29 .   ? 28.490  3.534   -1.503  1.00 1.45  1   AB 1 
HETATM 2979 C C34   . LIG_AB AB 29 .   ? 27.537  4.017   -1.441  1.00 1.44  1   AB 1 
HETATM 2980 C C35   . LIG_AB AB 29 .   ? 26.624  4.582   -1.417  1.00 1.49  1   AB 1 
HETATM 2981 C C36   . LIG_AB AB 29 .   ? 25.701  5.163   -1.436  1.00 1.56  1   AB 1 
HETATM 2982 C C37   . LIG_AB AB 29 .   ? 24.758  5.699   -1.514  1.00 1.60  1   AB 1 
HETATM 2983 C C38   . LIG_AB AB 29 .   ? 23.778  6.182   -1.626  1.00 1.48  1   AB 1 
HETATM 2984 C C39   . LIG_AB AB 29 .   ? 22.768  6.600   -1.758  1.00 1.55  1   AB 1 
HETATM 2985 C C40   . LIG_AB AB 29 .   ? 21.719  6.926   -1.888  1.00 1.71  1   AB 1 
HETATM 2986 C C41   . LIG_AB AB 29 .   ? 20.648  7.189   -1.989  1.00 1.50  1   AB 1 
HETATM 2987 C C42   . LIG_AB AB 29 .   ? 19.627  7.387   -2.047  1.00 1.44  1   AB 1 
HETATM 2988 C C43   . LIG_AB AB 29 .   ? 18.598  7.482   -1.940  1.00 1.32  1   AB 1 
HETATM 2989 C C44   . LIG_AB AB 29 .   ? 17.562  7.418   -1.586  1.00 1.38  1   AB 1 
HETATM 2990 C C1    . LIG_BB BB 30 .   ? 8.930   9.595   2.346   1.00 1.30  1   BB 1 
HETATM 2991 C C2    . LIG_BB BB 30 .   ? 7.749   9.538   1.925   1.00 1.28  1   BB 1 
HETATM 2992 C C3    . LIG_BB BB 30 .   ? 6.703   9.543   2.348   1.00 1.29  1   BB 1 
HETATM 2993 C C4    . LIG_BB BB 30 .   ? 5.580   9.536   2.100   1.00 1.32  1   BB 1 
HETATM 2994 C C5    . LIG_BB BB 30 .   ? 4.508   9.590   2.410   1.00 1.32  1   BB 1 
HETATM 2995 C C6    . LIG_BB BB 30 .   ? 3.407   9.623   2.203   1.00 1.27  1   BB 1 
HETATM 2996 C C7    . LIG_BB BB 30 .   ? 2.381   9.607   2.547   1.00 1.26  1   BB 1 
HETATM 2997 C C8    . LIG_BB BB 30 .   ? 1.348   9.442   2.552   1.00 1.36  1   BB 1 
HETATM 2998 C C9    . LIG_BB BB 30 .   ? 0.334   9.224   2.733   1.00 1.38  1   BB 1 
HETATM 2999 C C10   . LIG_BB BB 30 .   ? -0.667  8.865   2.804   1.00 1.46  1   BB 1 
HETATM 3000 C C11   . LIG_BB BB 30 .   ? -1.598  8.436   3.040   1.00 1.45  1   BB 1 
HETATM 3001 C C12   . LIG_BB BB 30 .   ? -2.484  7.824   3.084   1.00 1.61  1   BB 1 
HETATM 3002 C C13   . LIG_BB BB 30 .   ? -3.461  7.376   3.439   1.00 1.45  1   BB 1 
HETATM 3003 C C14   . LIG_BB BB 30 .   ? -4.454  6.920   3.093   1.00 1.52  1   BB 1 
HETATM 3004 C C15   . LIG_BB BB 30 .   ? -5.492  6.615   3.375   1.00 1.53  1   BB 1 
HETATM 3005 C C16   . LIG_BB BB 30 .   ? -6.602  6.251   2.938   1.00 1.55  1   BB 1 
HETATM 3006 C C17   . LIG_BB BB 30 .   ? -7.619  6.252   3.642   1.00 1.42  1   BB 1 
HETATM 3007 C C18   . LIG_BB BB 30 .   ? -8.838  5.850   3.396   1.00 1.48  1   BB 1 
HETATM 3008 O O1    . LIG_BB BB 30 .   ? -9.497  5.437   4.288   1.00 1.71  1   BB 1 
HETATM 3009 O O2    . LIG_BB BB 30 .   ? -9.211  5.932   2.224   1.00 1.64  1   BB 1 
HETATM 3010 C C19   . LIG_BB BB 30 .   ? -10.401 5.402   1.961   1.00 1.35  1   BB 1 
HETATM 3011 C C20   . LIG_BB BB 30 .   ? -10.886 5.807   0.650   1.00 1.38  1   BB 1 
HETATM 3012 C C21   . LIG_BB BB 30 .   ? -11.870 4.830   0.093   1.00 1.40  1   BB 1 
HETATM 3013 O O3    . LIG_BB BB 30 .   ? -12.619 4.244   1.017   1.00 1.46  1   BB 1 
HETATM 3014 P P1    . LIG_BB BB 30 .   ? -13.916 3.483   0.621   1.00 1.45  1   BB 1 
HETATM 3015 O O4    . LIG_BB BB 30 .   ? -14.275 2.696   1.772   1.00 1.40  1   BB 1 
HETATM 3016 O O5    . LIG_BB BB 30 .   ? -14.846 4.368   0.041   1.00 1.26  1   BB 1 
HETATM 3017 O O6    . LIG_BB BB 30 .   ? -13.387 2.507   -0.500  1.00 1.49  1   BB 1 
HETATM 3018 C C22   . LIG_BB BB 30 .   ? -13.850 1.283   -0.605  1.00 1.50  1   BB 1 
HETATM 3019 C C23   . LIG_BB BB 30 .   ? -13.358 0.642   -1.725  1.00 1.51  1   BB 1 
HETATM 3020 N N1    . LIG_BB BB 30 .   ? -12.110 0.745   -1.933  1.00 2.96  1   BB 1 
HETATM 3021 O O7    . LIG_BB BB 30 .   ? -9.842  5.777   -0.239  1.00 1.33  1   BB 1 
HETATM 3022 C C24   . LIG_BB BB 30 .   ? -9.740  6.778   -0.976  1.00 1.38  1   BB 1 
HETATM 3023 O O8    . LIG_BB BB 30 .   ? -10.543 7.682   -0.934  1.00 1.33  1   BB 1 
HETATM 3024 C C25   . LIG_BB BB 30 .   ? -8.667  6.735   -1.815  1.00 1.34  1   BB 1 
HETATM 3025 C C26   . LIG_BB BB 30 .   ? -7.905  7.819   -1.813  1.00 1.50  1   BB 1 
HETATM 3026 C C27   . LIG_BB BB 30 .   ? -6.800  7.904   -2.376  1.00 1.51  1   BB 1 
HETATM 3027 C C28   . LIG_BB BB 30 .   ? -5.972  8.761   -2.408  1.00 1.29  1   BB 1 
HETATM 3028 C C29   . LIG_BB BB 30 .   ? -4.873  8.935   -2.681  1.00 1.25  1   BB 1 
HETATM 3029 C C30   . LIG_BB BB 30 .   ? -3.788  8.726   -2.736  1.00 1.31  1   BB 1 
HETATM 3030 C C31   . LIG_BB BB 30 .   ? -2.677  9.054   -2.796  1.00 1.24  1   BB 1 
HETATM 3031 C C32   . LIG_BB BB 30 .   ? -1.567  8.912   -2.863  1.00 1.26  1   BB 1 
HETATM 3032 C C33   . LIG_BB BB 30 .   ? -0.493  9.193   -2.900  1.00 1.21  1   BB 1 
HETATM 3033 C C34   . LIG_BB BB 30 .   ? 0.607   9.247   -2.963  1.00 1.22  1   BB 1 
HETATM 3034 C C35   . LIG_BB BB 30 .   ? 1.692   9.480   -3.023  1.00 1.21  1   BB 1 
HETATM 3035 C C36   . LIG_BB BB 30 .   ? 2.774   9.678   -3.058  1.00 1.29  1   BB 1 
HETATM 3036 C C37   . LIG_BB BB 30 .   ? 3.852   9.991   -3.075  1.00 1.33  1   BB 1 
HETATM 3037 C C38   . LIG_BB BB 30 .   ? 4.882   10.361  -3.048  1.00 1.26  1   BB 1 
HETATM 3038 C C39   . LIG_BB BB 30 .   ? 5.952   10.792  -3.037  1.00 1.22  1   BB 1 
HETATM 3039 C C40   . LIG_BB BB 30 .   ? 6.954   11.237  -3.011  1.00 1.21  1   BB 1 
HETATM 3040 C C41   . LIG_BB BB 30 .   ? 8.084   11.671  -3.058  1.00 1.20  1   BB 1 
HETATM 3041 C C1    . LIG_AC AC 31 .   ? 14.179  9.662   -3.103  1.00 1.73  1   AC 1 
HETATM 3042 C C2    . LIG_AC AC 31 .   ? 14.627  8.850   -2.668  1.00 1.88  1   AC 1 
HETATM 3043 C C3    . LIG_AC AC 31 .   ? 14.372  7.773   -2.502  1.00 1.76  1   AC 1 
HETATM 3044 C C4    . LIG_AC AC 31 .   ? 13.941  6.762   -2.535  1.00 2.01  1   AC 1 
HETATM 3045 C C5    . LIG_AC AC 31 .   ? 13.425  5.758   -2.606  1.00 1.93  1   AC 1 
HETATM 3046 C C6    . LIG_AC AC 31 .   ? 12.793  4.823   -2.728  1.00 1.95  1   AC 1 
HETATM 3047 C C7    . LIG_AC AC 31 .   ? 12.075  3.967   -2.862  1.00 1.84  1   AC 1 
HETATM 3048 C C8    . LIG_AC AC 31 .   ? 11.285  3.166   -3.015  1.00 1.91  1   AC 1 
HETATM 3049 C C9    . LIG_AC AC 31 .   ? 10.451  2.422   -3.140  1.00 1.92  1   AC 1 
HETATM 3050 C C10   . LIG_AC AC 31 .   ? 9.537   1.695   -3.260  1.00 2.16  1   AC 1 
HETATM 3051 C C11   . LIG_AC AC 31 .   ? 8.621   1.026   -3.372  1.00 2.15  1   AC 1 
HETATM 3052 C C12   . LIG_AC AC 31 .   ? 7.672   0.355   -3.477  1.00 2.60  1   AC 1 
HETATM 3053 C C13   . LIG_AC AC 31 .   ? 6.694   -0.227  -3.614  1.00 1.96  1   AC 1 
HETATM 3054 C C14   . LIG_AC AC 31 .   ? 5.699   -0.808  -3.767  1.00 2.06  1   AC 1 
HETATM 3055 C C15   . LIG_AC AC 31 .   ? 4.699   -1.261  -3.953  1.00 2.15  1   AC 1 
HETATM 3056 C C16   . LIG_AC AC 31 .   ? 3.677   -1.823  -4.101  1.00 2.24  1   AC 1 
HETATM 3057 C C17   . LIG_AC AC 31 .   ? 2.666   -2.043  -4.435  1.00 1.92  1   AC 1 
HETATM 3058 C C18   . LIG_AC AC 31 .   ? 1.642   -2.826  -4.537  1.00 2.23  1   AC 1 
HETATM 3059 O O1    . LIG_AC AC 31 .   ? 1.617   -3.852  -3.965  1.00 3.19  1   AC 1 
HETATM 3060 O O2    . LIG_AC AC 31 .   ? 0.736   -2.391  -5.261  1.00 2.57  1   AC 1 
HETATM 3061 C C19   . LIG_AC AC 31 .   ? -0.266  -3.201  -5.496  1.00 1.93  1   AC 1 
HETATM 3062 C C20   . LIG_AC AC 31 .   ? -1.359  -2.551  -6.178  1.00 2.29  1   AC 1 
HETATM 3063 C C21   . LIG_AC AC 31 .   ? -2.339  -3.580  -6.644  1.00 2.24  1   AC 1 
HETATM 3064 O O3    . LIG_AC AC 31 .   ? -3.471  -3.481  -5.949  1.00 2.32  1   AC 1 
HETATM 3065 P P1    . LIG_AC AC 31 .   ? -4.578  -4.546  -6.021  1.00 2.26  1   AC 1 
HETATM 3066 O O4    . LIG_AC AC 31 .   ? -4.030  -5.809  -6.366  1.00 2.02  1   AC 1 
HETATM 3067 O O5    . LIG_AC AC 31 .   ? -5.651  -4.027  -6.781  1.00 2.26  1   AC 1 
HETATM 3068 O O6    . LIG_AC AC 31 .   ? -5.004  -4.517  -4.537  1.00 2.36  1   AC 1 
HETATM 3069 C C22   . LIG_AC AC 31 .   ? -4.267  -4.964  -3.574  1.00 3.00  1   AC 1 
HETATM 3070 C C23   . LIG_AC AC 31 .   ? -4.038  -3.982  -2.602  1.00 3.03  1   AC 1 
HETATM 3071 N N1    . LIG_AC AC 31 .   ? -3.178  -4.277  -1.527  1.00 5.04  1   AC 1 
HETATM 3072 C C24   . LIG_AC AC 31 .   ? -2.826  -3.047  -0.948  1.00 3.40  1   AC 1 
HETATM 3073 C C25   . LIG_AC AC 31 .   ? -3.873  -5.065  -0.584  1.00 3.65  1   AC 1 
HETATM 3074 C C26   . LIG_AC AC 31 .   ? -2.021  -4.971  -1.978  1.00 3.92  1   AC 1 
HETATM 3075 O O7    . LIG_AC AC 31 .   ? -0.915  -1.889  -7.300  1.00 2.23  1   AC 1 
HETATM 3076 C C27   . LIG_AC AC 31 .   ? -1.111  -0.643  -7.306  1.00 2.18  1   AC 1 
HETATM 3077 O O8    . LIG_AC AC 31 .   ? -1.852  -0.130  -6.510  1.00 1.93  1   AC 1 
HETATM 3078 C C28   . LIG_AC AC 31 .   ? -0.421  0.055   -8.156  1.00 1.84  1   AC 1 
HETATM 3079 C C29   . LIG_AC AC 31 .   ? 0.316   0.950   -7.980  1.00 1.81  1   AC 1 
HETATM 3080 C C30   . LIG_AC AC 31 .   ? 1.115   1.662   -7.754  1.00 1.83  1   AC 1 
HETATM 3081 C C31   . LIG_AC AC 31 .   ? 1.933   2.394   -7.447  1.00 1.67  1   AC 1 
HETATM 3082 C C32   . LIG_AC AC 31 .   ? 2.755   3.050   -7.126  1.00 1.85  1   AC 1 
HETATM 3083 C C33   . LIG_AC AC 31 .   ? 3.578   3.740   -6.767  1.00 1.81  1   AC 1 
HETATM 3084 C C34   . LIG_AC AC 31 .   ? 4.396   4.435   -6.385  1.00 1.76  1   AC 1 
HETATM 3085 C C35   . LIG_AC AC 31 .   ? 5.225   5.141   -6.011  1.00 1.66  1   AC 1 
HETATM 3086 C C36   . LIG_AC AC 31 .   ? 6.061   5.845   -5.645  1.00 1.81  1   AC 1 
HETATM 3087 C C37   . LIG_AC AC 31 .   ? 6.932   6.547   -5.293  1.00 1.82  1   AC 1 
HETATM 3088 C C38   . LIG_AC AC 31 .   ? 7.837   7.238   -4.997  1.00 1.63  1   AC 1 
HETATM 3089 C C39   . LIG_AC AC 31 .   ? 8.770   7.932   -4.730  1.00 1.65  1   AC 1 
HETATM 3090 C C40   . LIG_AC AC 31 .   ? 9.724   8.601   -4.522  1.00 1.73  1   AC 1 
HETATM 3091 C C41   . LIG_AC AC 31 .   ? 10.688  9.243   -4.365  1.00 1.49  1   AC 1 
HETATM 3092 C C42   . LIG_AC AC 31 .   ? 11.582  9.898   -4.255  1.00 1.41  1   AC 1 
HETATM 3093 C C43   . LIG_AC AC 31 .   ? 12.413  10.607  -4.231  1.00 1.30  1   AC 1 
HETATM 3094 C C44   . LIG_AC AC 31 .   ? 13.197  11.514  -4.312  1.00 1.38  1   AC 1 
HETATM 3095 C C1    . LIG_BC BC 32 .   ? 13.719  15.138  4.487   1.00 1.55  1   BC 1 
HETATM 3096 C C2    . LIG_BC BC 32 .   ? 13.058  14.504  4.584   1.00 1.79  1   BC 1 
HETATM 3097 C C3    . LIG_BC BC 32 .   ? 12.179  13.988  5.004   1.00 1.76  1   BC 1 
HETATM 3098 C C4    . LIG_BC BC 32 .   ? 11.281  13.541  5.446   1.00 1.87  1   BC 1 
HETATM 3099 C C5    . LIG_BC BC 32 .   ? 10.355  13.124  5.924   1.00 1.80  1   BC 1 
HETATM 3100 C C6    . LIG_BC BC 32 .   ? 9.434   12.745  6.433   1.00 1.74  1   BC 1 
HETATM 3101 C C7    . LIG_BC BC 32 .   ? 8.522   12.383  6.963   1.00 1.62  1   BC 1 
HETATM 3102 C C8    . LIG_BC BC 32 .   ? 7.625   12.054  7.541   1.00 1.67  1   BC 1 
HETATM 3103 C C9    . LIG_BC BC 32 .   ? 6.754   11.722  8.135   1.00 1.69  1   BC 1 
HETATM 3104 C C10   . LIG_BC BC 32 .   ? 5.873   11.354  8.784   1.00 1.75  1   BC 1 
HETATM 3105 C C11   . LIG_BC BC 32 .   ? 5.029   11.005  9.436   1.00 1.65  1   BC 1 
HETATM 3106 C C12   . LIG_BC BC 32 .   ? 4.190   10.666  10.133  1.00 1.79  1   BC 1 
HETATM 3107 C C13   . LIG_BC BC 32 .   ? 3.378   10.353  10.832  1.00 1.48  1   BC 1 
HETATM 3108 C C14   . LIG_BC BC 32 .   ? 2.546   10.084  11.582  1.00 1.48  1   BC 1 
HETATM 3109 C C15   . LIG_BC BC 32 .   ? 1.769   9.827   12.313  1.00 1.48  1   BC 1 
HETATM 3110 C C16   . LIG_BC BC 32 .   ? 0.911   9.593   13.075  1.00 1.49  1   BC 1 
HETATM 3111 C C17   . LIG_BC BC 32 .   ? 0.213   9.364   13.806  1.00 1.38  1   BC 1 
HETATM 3112 C C18   . LIG_BC BC 32 .   ? -0.843  9.281   14.581  1.00 1.47  1   BC 1 
HETATM 3113 O O1    . LIG_BC BC 32 .   ? -1.931  9.238   14.156  1.00 2.01  1   BC 1 
HETATM 3114 O O2    . LIG_BC BC 32 .   ? -0.564  9.257   15.765  1.00 1.76  1   BC 1 
HETATM 3115 C C19   . LIG_BC BC 32 .   ? -1.558  9.281   16.670  1.00 1.34  1   BC 1 
HETATM 3116 C C20   . LIG_BC BC 32 .   ? -1.038  9.770   17.947  1.00 1.33  1   BC 1 
HETATM 3117 C C21   . LIG_BC BC 32 .   ? -2.035  9.764   19.043  1.00 1.39  1   BC 1 
HETATM 3118 O O3    . LIG_BC BC 32 .   ? -2.692  8.624   19.161  1.00 1.42  1   BC 1 
HETATM 3119 P P1    . LIG_BC BC 32 .   ? -3.633  8.380   20.376  1.00 1.51  1   BC 1 
HETATM 3120 O O4    . LIG_BC BC 32 .   ? -2.858  8.417   21.578  1.00 1.26  1   BC 1 
HETATM 3121 O O5    . LIG_BC BC 32 .   ? -4.421  7.250   20.103  1.00 1.68  1   BC 1 
HETATM 3122 O O6    . LIG_BC BC 32 .   ? -4.506  9.691   20.341  1.00 1.47  1   BC 1 
HETATM 3123 C C22   . LIG_BC BC 32 .   ? -5.680  9.802   19.851  1.00 1.52  1   BC 1 
HETATM 3124 C C23   . LIG_BC BC 32 .   ? -6.007  11.091  19.736  1.00 1.40  1   BC 1 
HETATM 3125 N N1    . LIG_BC BC 32 .   ? -5.252  11.855  19.243  1.00 2.65  1   BC 1 
HETATM 3126 O O7    . LIG_BC BC 32 .   ? -0.709  11.096  17.788  1.00 1.48  1   BC 1 
HETATM 3127 C C24   . LIG_BC BC 32 .   ? 0.506   11.348  17.912  1.00 1.33  1   BC 1 
HETATM 3128 O O8    . LIG_BC BC 32 .   ? 1.241   10.565  18.435  1.00 1.46  1   BC 1 
HETATM 3129 C C25   . LIG_BC BC 32 .   ? 0.934   12.448  17.371  1.00 1.39  1   BC 1 
HETATM 3130 C C26   . LIG_BC BC 32 .   ? 1.940   12.578  16.756  1.00 1.51  1   BC 1 
HETATM 3131 C C27   . LIG_BC BC 32 .   ? 2.724   12.894  16.070  1.00 1.52  1   BC 1 
HETATM 3132 C C28   . LIG_BC BC 32 .   ? 3.623   13.012  15.381  1.00 1.38  1   BC 1 
HETATM 3133 C C29   . LIG_BC BC 32 .   ? 4.476   13.153  14.682  1.00 1.41  1   BC 1 
HETATM 3134 C C30   . LIG_BC BC 32 .   ? 5.347   13.262  13.980  1.00 1.51  1   BC 1 
HETATM 3135 C C31   . LIG_BC BC 32 .   ? 6.181   13.376  13.265  1.00 1.47  1   BC 1 
HETATM 3136 C C32   . LIG_BC BC 32 .   ? 7.022   13.507  12.553  1.00 1.56  1   BC 1 
HETATM 3137 C C33   . LIG_BC BC 32 .   ? 7.855   13.652  11.845  1.00 1.51  1   BC 1 
HETATM 3138 C C34   . LIG_BC BC 32 .   ? 8.697   13.825  11.132  1.00 1.50  1   BC 1 
HETATM 3139 C C35   . LIG_BC BC 32 .   ? 9.518   14.050  10.425  1.00 1.54  1   BC 1 
HETATM 3140 C C36   . LIG_BC BC 32 .   ? 10.328  14.332  9.717   1.00 1.59  1   BC 1 
HETATM 3141 C C37   . LIG_BC BC 32 .   ? 11.132  14.649  9.016   1.00 1.62  1   BC 1 
HETATM 3142 C C38   . LIG_BC BC 32 .   ? 11.899  14.985  8.297   1.00 1.45  1   BC 1 
HETATM 3143 C C39   . LIG_BC BC 32 .   ? 12.650  15.330  7.564   1.00 1.44  1   BC 1 
HETATM 3144 C C40   . LIG_BC BC 32 .   ? 13.364  15.653  6.835   1.00 1.43  1   BC 1 
HETATM 3145 C C41   . LIG_BC BC 32 .   ? 14.060  15.984  6.091   1.00 1.29  1   BC 1 
HETATM 3146 C C1    . LIG_AD AD 33 .   ? 23.452  0.534   -13.022 1.00 1.87  1   AD 1 
HETATM 3147 C C2    . LIG_AD AD 33 .   ? 23.487  0.888   -14.021 1.00 2.03  1   AD 1 
HETATM 3148 C C3    . LIG_AD AD 33 .   ? 22.948  0.767   -15.014 1.00 2.01  1   AD 1 
HETATM 3149 C C4    . LIG_AD AD 33 .   ? 22.240  0.559   -15.847 1.00 2.19  1   AD 1 
HETATM 3150 C C5    . LIG_AD AD 33 .   ? 21.465  0.281   -16.645 1.00 1.91  1   AD 1 
HETATM 3151 C C6    . LIG_AD AD 33 .   ? 20.622  -0.060  -17.342 1.00 1.65  1   AD 1 
HETATM 3152 C C7    . LIG_AD AD 33 .   ? 19.740  -0.412  -17.947 1.00 1.63  1   AD 1 
HETATM 3153 C C8    . LIG_AD AD 33 .   ? 18.822  -0.778  -18.495 1.00 1.61  1   AD 1 
HETATM 3154 C C9    . LIG_AD AD 33 .   ? 17.896  -1.149  -18.978 1.00 1.61  1   AD 1 
HETATM 3155 C C10   . LIG_AD AD 33 .   ? 16.913  -1.529  -19.465 1.00 1.70  1   AD 1 
HETATM 3156 C C11   . LIG_AD AD 33 .   ? 15.956  -1.892  -19.937 1.00 1.54  1   AD 1 
HETATM 3157 C C12   . LIG_AD AD 33 .   ? 14.970  -2.271  -20.407 1.00 1.63  1   AD 1 
HETATM 3158 C C13   . LIG_AD AD 33 .   ? 13.997  -2.590  -20.892 1.00 1.33  1   AD 1 
HETATM 3159 C C14   . LIG_AD AD 33 .   ? 12.978  -2.953  -21.303 1.00 1.35  1   AD 1 
HETATM 3160 C C15   . LIG_AD AD 33 .   ? 12.002  -3.221  -21.792 1.00 1.31  1   AD 1 
HETATM 3161 C C16   . LIG_AD AD 33 .   ? 10.926  -3.551  -22.136 1.00 1.29  1   AD 1 
HETATM 3162 C C17   . LIG_AD AD 33 .   ? 9.943   -3.715  -22.655 1.00 1.23  1   AD 1 
HETATM 3163 C C18   . LIG_AD AD 33 .   ? 8.745   -4.235  -22.586 1.00 1.32  1   AD 1 
HETATM 3164 O O1    . LIG_AD AD 33 .   ? 7.788   -3.584  -22.745 1.00 1.63  1   AD 1 
HETATM 3165 O O2    . LIG_AD AD 33 .   ? 8.741   -5.428  -22.292 1.00 1.55  1   AD 1 
HETATM 3166 C C19   . LIG_AD AD 33 .   ? 7.601   -6.021  -21.980 1.00 1.22  1   AD 1 
HETATM 3167 C C20   . LIG_AD AD 33 .   ? 7.885   -7.228  -21.177 1.00 1.22  1   AD 1 
HETATM 3168 C C21   . LIG_AD AD 33 .   ? 6.668   -8.038  -20.978 1.00 1.28  1   AD 1 
HETATM 3169 O O3    . LIG_AD AD 33 .   ? 6.413   -8.739  -22.088 1.00 1.28  1   AD 1 
HETATM 3170 P P1    . LIG_AD AD 33 .   ? 5.472   -9.959  -22.082 1.00 1.24  1   AD 1 
HETATM 3171 O O4    . LIG_AD AD 33 .   ? 4.239   -9.611  -21.483 1.00 1.19  1   AD 1 
HETATM 3172 O O5    . LIG_AD AD 33 .   ? 5.483   -10.545 -23.374 1.00 1.16  1   AD 1 
HETATM 3173 O O6    . LIG_AD AD 33 .   ? 6.279   -10.889 -21.149 1.00 1.38  1   AD 1 
HETATM 3174 C C22   . LIG_AD AD 33 .   ? 5.842   -11.554 -20.170 1.00 1.33  1   AD 1 
HETATM 3175 C C23   . LIG_AD AD 33 .   ? 6.862   -12.246 -19.517 1.00 1.34  1   AD 1 
HETATM 3176 N N1    . LIG_AD AD 33 .   ? 6.528   -12.956 -18.395 1.00 1.98  1   AD 1 
HETATM 3177 C C24   . LIG_AD AD 33 .   ? 5.584   -13.971 -18.738 1.00 1.34  1   AD 1 
HETATM 3178 C C25   . LIG_AD AD 33 .   ? 5.982   -12.086 -17.439 1.00 1.53  1   AD 1 
HETATM 3179 C C26   . LIG_AD AD 33 .   ? 7.696   -13.560 -17.903 1.00 1.52  1   AD 1 
HETATM 3180 O O7    . LIG_AD AD 33 .   ? 8.339   -6.783  -19.942 1.00 1.46  1   AD 1 
HETATM 3181 C C27   . LIG_AD AD 33 .   ? 9.539   -7.068  -19.734 1.00 1.47  1   AD 1 
HETATM 3182 O O8    . LIG_AD AD 33 .   ? 10.071  -7.945  -20.340 1.00 1.42  1   AD 1 
HETATM 3183 C C28   . LIG_AD AD 33 .   ? 10.199  -6.368  -18.873 1.00 1.33  1   AD 1 
HETATM 3184 C C29   . LIG_AD AD 33 .   ? 11.319  -6.186  -18.623 1.00 1.40  1   AD 1 
HETATM 3185 C C30   . LIG_AD AD 33 .   ? 12.308  -5.856  -18.222 1.00 1.39  1   AD 1 
HETATM 3186 C C31   . LIG_AD AD 33 .   ? 13.369  -5.636  -17.880 1.00 1.42  1   AD 1 
HETATM 3187 C C32   . LIG_AD AD 33 .   ? 14.380  -5.429  -17.473 1.00 1.53  1   AD 1 
HETATM 3188 C C33   . LIG_AD AD 33 .   ? 15.417  -5.266  -17.043 1.00 1.50  1   AD 1 
HETATM 3189 C C34   . LIG_AD AD 33 .   ? 16.421  -5.089  -16.555 1.00 1.48  1   AD 1 
HETATM 3190 C C35   . LIG_AD AD 33 .   ? 17.391  -4.884  -16.009 1.00 1.52  1   AD 1 
HETATM 3191 C C36   . LIG_AD AD 33 .   ? 18.314  -4.612  -15.419 1.00 1.59  1   AD 1 
HETATM 3192 C C37   . LIG_AD AD 33 .   ? 19.188  -4.265  -14.790 1.00 1.62  1   AD 1 
HETATM 3193 C C38   . LIG_AD AD 33 .   ? 19.990  -3.816  -14.129 1.00 1.49  1   AD 1 
HETATM 3194 C C39   . LIG_AD AD 33 .   ? 20.731  -3.268  -13.464 1.00 1.54  1   AD 1 
HETATM 3195 C C40   . LIG_AD AD 33 .   ? 21.398  -2.639  -12.814 1.00 1.85  1   AD 1 
HETATM 3196 C C41   . LIG_AD AD 33 .   ? 22.020  -1.953  -12.167 1.00 1.53  1   AD 1 
HETATM 3197 C C42   . LIG_AD AD 33 .   ? 22.599  -1.279  -11.546 1.00 1.53  1   AD 1 
HETATM 3198 C C43   . LIG_AD AD 33 .   ? 23.130  -0.623  -10.859 1.00 1.35  1   AD 1 
HETATM 3199 C C44   . LIG_AD AD 33 .   ? 23.644  0.006   -10.048 1.00 1.46  1   AD 1 
HETATM 3200 C C1    . LIG_BD BD 34 .   ? 6.593   21.922  -5.991  1.00 1.25  1   BD 1 
HETATM 3201 C C2    . LIG_BD BD 34 .   ? 5.389   21.777  -6.309  1.00 1.25  1   BD 1 
HETATM 3202 C C3    . LIG_BD BD 34 .   ? 4.482   22.173  -6.817  1.00 1.24  1   BD 1 
HETATM 3203 C C4    . LIG_BD BD 34 .   ? 3.405   22.133  -7.291  1.00 1.27  1   BD 1 
HETATM 3204 C C5    . LIG_BD BD 34 .   ? 2.598   22.583  -8.011  1.00 1.27  1   BD 1 
HETATM 3205 C C6    . LIG_BD BD 34 .   ? 1.699   22.664  -8.683  1.00 1.24  1   BD 1 
HETATM 3206 C C7    . LIG_BD BD 34 .   ? 0.939   22.982  -9.447  1.00 1.23  1   BD 1 
HETATM 3207 C C8    . LIG_BD BD 34 .   ? 0.080   23.074  -10.147 1.00 1.27  1   BD 1 
HETATM 3208 C C9    . LIG_BD BD 34 .   ? -0.749  23.362  -10.822 1.00 1.27  1   BD 1 
HETATM 3209 C C10   . LIG_BD BD 34 .   ? -1.697  23.486  -11.420 1.00 1.30  1   BD 1 
HETATM 3210 C C11   . LIG_BD BD 34 .   ? -2.690  23.739  -11.902 1.00 1.32  1   BD 1 
HETATM 3211 C C12   . LIG_BD BD 34 .   ? -3.712  23.691  -12.394 1.00 1.35  1   BD 1 
HETATM 3212 C C13   . LIG_BD BD 34 .   ? -4.817  24.022  -12.699 1.00 1.28  1   BD 1 
HETATM 3213 C C14   . LIG_BD BD 34 .   ? -5.833  23.594  -13.145 1.00 1.28  1   BD 1 
HETATM 3214 C C15   . LIG_BD BD 34 .   ? -7.009  23.839  -13.294 1.00 1.26  1   BD 1 
HETATM 3215 C C16   . LIG_BD BD 34 .   ? -7.944  23.110  -13.792 1.00 1.27  1   BD 1 
HETATM 3216 C C17   . LIG_BD BD 34 .   ? -9.161  23.368  -13.768 1.00 1.21  1   BD 1 
HETATM 3217 C C18   . LIG_BD BD 34 .   ? -10.105 22.731  -14.464 1.00 1.23  1   BD 1 
HETATM 3218 O O1    . LIG_BD BD 34 .   ? -9.969  21.622  -14.867 1.00 1.38  1   BD 1 
HETATM 3219 O O2    . LIG_BD BD 34 .   ? -11.081 23.390  -14.638 1.00 1.37  1   BD 1 
HETATM 3220 C C19   . LIG_BD BD 34 .   ? -12.010 22.850  -15.386 1.00 1.17  1   BD 1 
HETATM 3221 C C20   . LIG_BD BD 34 .   ? -13.167 23.735  -15.430 1.00 1.19  1   BD 1 
HETATM 3222 C C21   . LIG_BD BD 34 .   ? -14.104 23.151  -16.430 1.00 1.19  1   BD 1 
HETATM 3223 O O3    . LIG_BD BD 34 .   ? -14.573 24.040  -17.294 1.00 1.21  1   BD 1 
HETATM 3224 P P1    . LIG_BD BD 34 .   ? -15.693 23.667  -18.299 1.00 1.21  1   BD 1 
HETATM 3225 O O4    . LIG_BD BD 34 .   ? -15.480 22.331  -18.787 1.00 1.14  1   BD 1 
HETATM 3226 O O5    . LIG_BD BD 34 .   ? -15.809 24.719  -19.192 1.00 1.11  1   BD 1 
HETATM 3227 O O6    . LIG_BD BD 34 .   ? -16.921 23.560  -17.319 1.00 1.18  1   BD 1 
HETATM 3228 C C22   . LIG_BD BD 34 .   ? -17.799 24.473  -17.215 1.00 1.17  1   BD 1 
HETATM 3229 C C23   . LIG_BD BD 34 .   ? -18.753 24.214  -16.203 1.00 1.17  1   BD 1 
HETATM 3230 N N1    . LIG_BD BD 34 .   ? -19.523 25.226  -15.940 1.00 1.48  1   BD 1 
HETATM 3231 O O7    . LIG_BD BD 34 .   ? -12.747 24.999  -15.804 1.00 1.19  1   BD 1 
HETATM 3232 C C24   . LIG_BD BD 34 .   ? -13.023 25.952  -14.982 1.00 1.20  1   BD 1 
HETATM 3233 O O8    . LIG_BD BD 34 .   ? -13.745 25.760  -14.037 1.00 1.22  1   BD 1 
HETATM 3234 C C25   . LIG_BD BD 34 .   ? -12.497 27.229  -15.252 1.00 1.24  1   BD 1 
HETATM 3235 C C26   . LIG_BD BD 34 .   ? -11.184 27.407  -14.896 1.00 1.32  1   BD 1 
HETATM 3236 C C27   . LIG_BD BD 34 .   ? -10.703 27.345  -13.666 1.00 1.29  1   BD 1 
HETATM 3237 C C28   . LIG_BD BD 34 .   ? -9.495  27.617  -13.332 1.00 1.18  1   BD 1 
HETATM 3238 C C29   . LIG_BD BD 34 .   ? -8.843  27.603  -12.323 1.00 1.20  1   BD 1 
HETATM 3239 C C30   . LIG_BD BD 34 .   ? -7.857  27.657  -11.735 1.00 1.23  1   BD 1 
HETATM 3240 C C31   . LIG_BD BD 34 .   ? -7.151  27.534  -10.816 1.00 1.20  1   BD 1 
HETATM 3241 C C32   . LIG_BD BD 34 .   ? -6.210  27.400  -10.210 1.00 1.21  1   BD 1 
HETATM 3242 C C33   . LIG_BD BD 34 .   ? -5.437  27.153  -9.436  1.00 1.21  1   BD 1 
HETATM 3243 C C34   . LIG_BD BD 34 .   ? -4.504  26.931  -8.847  1.00 1.19  1   BD 1 
HETATM 3244 C C35   . LIG_BD BD 34 .   ? -3.633  26.694  -8.175  1.00 1.19  1   BD 1 
HETATM 3245 C C36   . LIG_BD BD 34 .   ? -2.674  26.462  -7.629  1.00 1.24  1   BD 1 
HETATM 3246 C C37   . LIG_BD BD 34 .   ? -1.709  26.281  -7.103  1.00 1.27  1   BD 1 
HETATM 3247 C C38   . LIG_BD BD 34 .   ? -0.703  26.117  -6.617  1.00 1.23  1   BD 1 
HETATM 3248 C C39   . LIG_BD BD 34 .   ? 0.368   26.051  -6.232  1.00 1.22  1   BD 1 
HETATM 3249 C C40   . LIG_BD BD 34 .   ? 1.397   25.950  -5.827  1.00 1.23  1   BD 1 
HETATM 3250 C C41   . LIG_BD BD 34 .   ? 2.589   26.040  -5.600  1.00 1.17  1   BD 1 
HETATM 3251 C C1    . LIG_AE AE 35 .   ? 13.924  18.390  -18.387 1.00 1.87  1   AE 1 
HETATM 3252 C C2    . LIG_AE AE 35 .   ? 14.551  17.675  -18.754 1.00 2.06  1   AE 1 
HETATM 3253 C C3    . LIG_AE AE 35 .   ? 14.509  17.159  -19.723 1.00 1.96  1   AE 1 
HETATM 3254 C C4    . LIG_AE AE 35 .   ? 14.048  16.990  -20.677 1.00 2.25  1   AE 1 
HETATM 3255 C C5    . LIG_AE AE 35 .   ? 13.541  16.830  -21.632 1.00 1.95  1   AE 1 
HETATM 3256 C C6    . LIG_AE AE 35 .   ? 12.927  16.740  -22.544 1.00 1.74  1   AE 1 
HETATM 3257 C C7    . LIG_AE AE 35 .   ? 12.286  16.666  -23.419 1.00 1.63  1   AE 1 
HETATM 3258 C C8    . LIG_AE AE 35 .   ? 11.615  16.596  -24.288 1.00 1.56  1   AE 1 
HETATM 3259 C C9    . LIG_AE AE 35 .   ? 10.954  16.521  -25.141 1.00 1.58  1   AE 1 
HETATM 3260 C C10   . LIG_AE AE 35 .   ? 10.261  16.454  -26.038 1.00 1.61  1   AE 1 
HETATM 3261 C C11   . LIG_AE AE 35 .   ? 9.581   16.384  -26.907 1.00 1.59  1   AE 1 
HETATM 3262 C C12   . LIG_AE AE 35 .   ? 8.879   16.326  -27.785 1.00 1.60  1   AE 1 
HETATM 3263 C C13   . LIG_AE AE 35 .   ? 8.187   16.303  -28.640 1.00 1.37  1   AE 1 
HETATM 3264 C C14   . LIG_AE AE 35 .   ? 7.425   16.299  -29.465 1.00 1.34  1   AE 1 
HETATM 3265 C C15   . LIG_AE AE 35 .   ? 6.679   16.343  -30.244 1.00 1.32  1   AE 1 
HETATM 3266 C C16   . LIG_AE AE 35 .   ? 5.822   16.383  -30.990 1.00 1.31  1   AE 1 
HETATM 3267 C C17   . LIG_AE AE 35 .   ? 5.109   16.467  -31.720 1.00 1.26  1   AE 1 
HETATM 3268 C C18   . LIG_AE AE 35 .   ? 4.063   16.481  -32.404 1.00 1.30  1   AE 1 
HETATM 3269 O O1    . LIG_AE AE 35 .   ? 4.041   17.015  -33.444 1.00 1.53  1   AE 1 
HETATM 3270 O O2    . LIG_AE AE 35 .   ? 3.144   15.897  -31.878 1.00 1.50  1   AE 1 
HETATM 3271 C C19   . LIG_AE AE 35 .   ? 2.057   15.869  -32.544 1.00 1.24  1   AE 1 
HETATM 3272 C C20   . LIG_AE AE 35 .   ? 0.931   15.489  -31.737 1.00 1.26  1   AE 1 
HETATM 3273 C C21   . LIG_AE AE 35 .   ? -0.160  15.236  -32.718 1.00 1.29  1   AE 1 
HETATM 3274 O O3    . LIG_AE AE 35 .   ? -1.299  15.080  -32.114 1.00 1.27  1   AE 1 
HETATM 3275 P P1    . LIG_AE AE 35 .   ? -2.575  14.745  -32.916 1.00 1.25  1   AE 1 
HETATM 3276 O O4    . LIG_AE AE 35 .   ? -2.364  13.552  -33.636 1.00 1.19  1   AE 1 
HETATM 3277 O O5    . LIG_AE AE 35 .   ? -3.063  15.897  -33.522 1.00 1.15  1   AE 1 
HETATM 3278 O O6    . LIG_AE AE 35 .   ? -3.470  14.485  -31.676 1.00 1.29  1   AE 1 
HETATM 3279 C C22   . LIG_AE AE 35 .   ? -3.740  13.358  -31.177 1.00 1.31  1   AE 1 
HETATM 3280 C C23   . LIG_AE AE 35 .   ? -4.191  13.480  -29.873 1.00 1.30  1   AE 1 
HETATM 3281 N N1    . LIG_AE AE 35 .   ? -4.706  12.365  -29.294 1.00 1.84  1   AE 1 
HETATM 3282 C C24   . LIG_AE AE 35 .   ? -5.013  12.700  -27.975 1.00 1.31  1   AE 1 
HETATM 3283 C C25   . LIG_AE AE 35 .   ? -5.899  11.953  -29.962 1.00 1.39  1   AE 1 
HETATM 3284 C C26   . LIG_AE AE 35 .   ? -3.760  11.313  -29.310 1.00 1.45  1   AE 1 
HETATM 3285 O O7    . LIG_AE AE 35 .   ? 0.594   16.527  -30.902 1.00 1.41  1   AE 1 
HETATM 3286 C C27   . LIG_AE AE 35 .   ? 0.610   16.297  -29.685 1.00 1.43  1   AE 1 
HETATM 3287 O O8    . LIG_AE AE 35 .   ? 0.784   15.180  -29.269 1.00 1.38  1   AE 1 
HETATM 3288 C C28   . LIG_AE AE 35 .   ? 0.451   17.323  -28.903 1.00 1.33  1   AE 1 
HETATM 3289 C C29   . LIG_AE AE 35 .   ? 1.102   17.587  -27.963 1.00 1.38  1   AE 1 
HETATM 3290 C C30   . LIG_AE AE 35 .   ? 1.863   17.721  -27.228 1.00 1.36  1   AE 1 
HETATM 3291 C C31   . LIG_AE AE 35 .   ? 2.705   17.845  -26.488 1.00 1.34  1   AE 1 
HETATM 3292 C C32   . LIG_AE AE 35 .   ? 3.580   17.963  -25.849 1.00 1.47  1   AE 1 
HETATM 3293 C C33   . LIG_AE AE 35 .   ? 4.487   18.099  -25.219 1.00 1.46  1   AE 1 
HETATM 3294 C C34   . LIG_AE AE 35 .   ? 5.398   18.251  -24.602 1.00 1.47  1   AE 1 
HETATM 3295 C C35   . LIG_AE AE 35 .   ? 6.291   18.430  -23.952 1.00 1.50  1   AE 1 
HETATM 3296 C C36   . LIG_AE AE 35 .   ? 7.162   18.617  -23.274 1.00 1.55  1   AE 1 
HETATM 3297 C C37   . LIG_AE AE 35 .   ? 8.019   18.817  -22.552 1.00 1.56  1   AE 1 
HETATM 3298 C C38   . LIG_AE AE 35 .   ? 8.854   18.995  -21.800 1.00 1.49  1   AE 1 
HETATM 3299 C C39   . LIG_AE AE 35 .   ? 9.674   19.158  -21.016 1.00 1.57  1   AE 1 
HETATM 3300 C C40   . LIG_AE AE 35 .   ? 10.466  19.291  -20.218 1.00 1.71  1   AE 1 
HETATM 3301 C C41   . LIG_AE AE 35 .   ? 11.240  19.389  -19.401 1.00 1.56  1   AE 1 
HETATM 3302 C C42   . LIG_AE AE 35 .   ? 11.957  19.491  -18.593 1.00 1.53  1   AE 1 
HETATM 3303 C C43   . LIG_AE AE 35 .   ? 12.627  19.614  -17.744 1.00 1.36  1   AE 1 
HETATM 3304 C C44   . LIG_AE AE 35 .   ? 13.255  19.844  -16.776 1.00 1.42  1   AE 1 
HETATM 3305 C C1    . LIG_BE BE 36 .   ? 15.677  13.286  0.083   1.00 1.52  1   BE 1 
HETATM 3306 C C2    . LIG_BE BE 36 .   ? 15.473  12.272  -0.005  1.00 1.73  1   BE 1 
HETATM 3307 C C3    . LIG_BE BE 36 .   ? 16.205  11.489  0.022   1.00 1.72  1   BE 1 
HETATM 3308 C C4    . LIG_BE BE 36 .   ? 17.248  11.211  -0.002  1.00 1.85  1   BE 1 
HETATM 3309 C C5    . LIG_BE BE 36 .   ? 18.309  10.991  -0.047  1.00 1.76  1   BE 1 
HETATM 3310 C C6    . LIG_BE BE 36 .   ? 19.397  10.864  -0.074  1.00 1.68  1   BE 1 
HETATM 3311 C C7    . LIG_BE BE 36 .   ? 20.452  10.762  -0.048  1.00 1.59  1   BE 1 
HETATM 3312 C C8    . LIG_BE BE 36 .   ? 21.512  10.734  0.045   1.00 1.53  1   BE 1 
HETATM 3313 C C9    . LIG_BE BE 36 .   ? 22.542  10.753  0.195   1.00 1.55  1   BE 1 
HETATM 3314 C C10   . LIG_BE BE 36 .   ? 23.611  10.811  0.363   1.00 1.62  1   BE 1 
HETATM 3315 C C11   . LIG_BE BE 36 .   ? 24.642  10.909  0.564   1.00 1.47  1   BE 1 
HETATM 3316 C C12   . LIG_BE BE 36 .   ? 25.695  11.032  0.766   1.00 1.56  1   BE 1 
HETATM 3317 C C13   . LIG_BE BE 36 .   ? 26.724  11.196  0.939   1.00 1.30  1   BE 1 
HETATM 3318 C C14   . LIG_BE BE 36 .   ? 27.780  11.420  1.108   1.00 1.31  1   BE 1 
HETATM 3319 C C15   . LIG_BE BE 36 .   ? 28.781  11.666  1.274   1.00 1.29  1   BE 1 
HETATM 3320 C C16   . LIG_BE BE 36 .   ? 29.850  11.936  1.453   1.00 1.26  1   BE 1 
HETATM 3321 C C17   . LIG_BE BE 36 .   ? 30.765  12.248  1.612   1.00 1.21  1   BE 1 
HETATM 3322 C C18   . LIG_BE BE 36 .   ? 31.961  12.524  1.861   1.00 1.24  1   BE 1 
HETATM 3323 O O1    . LIG_BE BE 36 .   ? 32.809  11.761  1.677   1.00 1.62  1   BE 1 
HETATM 3324 O O2    . LIG_BE BE 36 .   ? 32.055  13.623  2.279   1.00 1.51  1   BE 1 
HETATM 3325 C C19   . LIG_BE BE 36 .   ? 33.237  13.983  2.577   1.00 1.20  1   BE 1 
HETATM 3326 C C20   . LIG_BE BE 36 .   ? 33.228  15.250  3.246   1.00 1.21  1   BE 1 
HETATM 3327 C C21   . LIG_BE BE 36 .   ? 34.638  15.651  3.379   1.00 1.26  1   BE 1 
HETATM 3328 O O3    . LIG_BE BE 36 .   ? 34.899  16.078  4.574   1.00 1.29  1   BE 1 
HETATM 3329 P P1    . LIG_BE BE 36 .   ? 36.220  16.807  4.850   1.00 1.32  1   BE 1 
HETATM 3330 O O4    . LIG_BE BE 36 .   ? 36.794  17.198  3.601   1.00 1.20  1   BE 1 
HETATM 3331 O O5    . LIG_BE BE 36 .   ? 36.006  17.757  5.823   1.00 1.20  1   BE 1 
HETATM 3332 O O6    . LIG_BE BE 36 .   ? 37.011  15.620  5.405   1.00 1.26  1   BE 1 
HETATM 3333 C C22   . LIG_BE BE 36 .   ? 38.155  15.725  5.951   1.00 1.28  1   BE 1 
HETATM 3334 C C23   . LIG_BE BE 36 .   ? 38.916  14.765  5.478   1.00 1.24  1   BE 1 
HETATM 3335 N N1    . LIG_BE BE 36 .   ? 38.719  14.446  4.380   1.00 2.00  1   BE 1 
HETATM 3336 O O7    . LIG_BE BE 36 .   ? 32.659  15.096  4.475   1.00 1.34  1   BE 1 
HETATM 3337 C C24   . LIG_BE BE 36 .   ? 31.683  15.824  4.713   1.00 1.29  1   BE 1 
HETATM 3338 O O8    . LIG_BE BE 36 .   ? 31.201  16.548  3.904   1.00 1.37  1   BE 1 
HETATM 3339 C C25   . LIG_BE BE 36 .   ? 31.189  15.724  5.888   1.00 1.33  1   BE 1 
HETATM 3340 C C26   . LIG_BE BE 36 .   ? 30.203  15.897  6.383   1.00 1.41  1   BE 1 
HETATM 3341 C C27   . LIG_BE BE 36 .   ? 29.503  15.916  7.258   1.00 1.44  1   BE 1 
HETATM 3342 C C28   . LIG_BE BE 36 .   ? 28.402  15.999  7.579   1.00 1.34  1   BE 1 
HETATM 3343 C C29   . LIG_BE BE 36 .   ? 27.381  15.992  7.232   1.00 1.38  1   BE 1 
HETATM 3344 C C30   . LIG_BE BE 36 .   ? 26.308  15.990  7.038   1.00 1.45  1   BE 1 
HETATM 3345 C C31   . LIG_BE BE 36 .   ? 25.310  15.937  6.616   1.00 1.47  1   BE 1 
HETATM 3346 C C32   . LIG_BE BE 36 .   ? 24.337  15.881  6.217   1.00 1.56  1   BE 1 
HETATM 3347 C C33   . LIG_BE BE 36 .   ? 23.417  15.831  5.710   1.00 1.52  1   BE 1 
HETATM 3348 C C34   . LIG_BE BE 36 .   ? 22.495  15.780  5.164   1.00 1.49  1   BE 1 
HETATM 3349 C C35   . LIG_BE BE 36 .   ? 21.584  15.732  4.606   1.00 1.54  1   BE 1 
HETATM 3350 C C36   . LIG_BE BE 36 .   ? 20.659  15.704  4.018   1.00 1.58  1   BE 1 
HETATM 3351 C C37   . LIG_BE BE 36 .   ? 19.738  15.666  3.436   1.00 1.61  1   BE 1 
HETATM 3352 C C38   . LIG_BE BE 36 .   ? 18.802  15.604  2.874   1.00 1.42  1   BE 1 
HETATM 3353 C C39   . LIG_BE BE 36 .   ? 17.877  15.519  2.334   1.00 1.48  1   BE 1 
HETATM 3354 C C40   . LIG_BE BE 36 .   ? 16.977  15.389  1.835   1.00 1.41  1   BE 1 
HETATM 3355 C C41   . LIG_BE BE 36 .   ? 16.085  15.235  1.311   1.00 1.28  1   BE 1 
HETATM 3356 C C1    . LIG_AF AF 37 .   ? 16.663  12.782  -17.832 1.00 1.79  1   AF 1 
HETATM 3357 C C2    . LIG_AF AF 37 .   ? 17.515  12.392  -18.400 1.00 1.95  1   AF 1 
HETATM 3358 C C3    . LIG_AF AF 37 .   ? 17.515  11.685  -19.275 1.00 1.88  1   AF 1 
HETATM 3359 C C4    . LIG_AF AF 37 .   ? 16.946  10.998  -19.912 1.00 2.12  1   AF 1 
HETATM 3360 C C5    . LIG_AF AF 37 .   ? 16.341  10.320  -20.547 1.00 1.83  1   AF 1 
HETATM 3361 C C6    . LIG_AF AF 37 .   ? 15.584  9.678   -21.063 1.00 1.64  1   AF 1 
HETATM 3362 C C7    . LIG_AF AF 37 .   ? 14.778  9.097   -21.516 1.00 1.57  1   AF 1 
HETATM 3363 C C8    . LIG_AF AF 37 .   ? 13.889  8.594   -21.945 1.00 1.50  1   AF 1 
HETATM 3364 C C9    . LIG_AF AF 37 .   ? 12.962  8.217   -22.360 1.00 1.51  1   AF 1 
HETATM 3365 C C10   . LIG_AF AF 37 .   ? 11.959  7.948   -22.803 1.00 1.59  1   AF 1 
HETATM 3366 C C11   . LIG_AF AF 37 .   ? 10.968  7.872   -23.272 1.00 1.52  1   AF 1 
HETATM 3367 C C12   . LIG_AF AF 37 .   ? 9.957   7.883   -23.757 1.00 1.56  1   AF 1 
HETATM 3368 C C13   . LIG_AF AF 37 .   ? 8.966   8.000   -24.235 1.00 1.33  1   AF 1 
HETATM 3369 C C14   . LIG_AF AF 37 .   ? 7.956   8.096   -24.731 1.00 1.32  1   AF 1 
HETATM 3370 C C15   . LIG_AF AF 37 .   ? 6.979   8.293   -25.188 1.00 1.31  1   AF 1 
HETATM 3371 C C16   . LIG_AF AF 37 .   ? 5.944   8.321   -25.686 1.00 1.29  1   AF 1 
HETATM 3372 C C17   . LIG_AF AF 37 .   ? 5.033   8.585   -26.177 1.00 1.24  1   AF 1 
HETATM 3373 C C18   . LIG_AF AF 37 .   ? 3.954   8.230   -26.791 1.00 1.28  1   AF 1 
HETATM 3374 O O1    . LIG_AF AF 37 .   ? 3.615   7.112   -26.809 1.00 1.60  1   AF 1 
HETATM 3375 O O2    . LIG_AF AF 37 .   ? 3.334   9.123   -27.312 1.00 1.54  1   AF 1 
HETATM 3376 C C19   . LIG_AF AF 37 .   ? 2.321   8.757   -28.065 1.00 1.23  1   AF 1 
HETATM 3377 C C20   . LIG_AF AF 37 .   ? 1.647   9.882   -28.631 1.00 1.27  1   AF 1 
HETATM 3378 C C21   . LIG_AF AF 37 .   ? 1.071   9.548   -29.950 1.00 1.28  1   AF 1 
HETATM 3379 O O3    . LIG_AF AF 37 .   ? -0.066  8.914   -29.817 1.00 1.28  1   AF 1 
HETATM 3380 P P1    . LIG_AF AF 37 .   ? -0.867  8.548   -31.088 1.00 1.23  1   AF 1 
HETATM 3381 O O4    . LIG_AF AF 37 .   ? 0.048   8.193   -32.110 1.00 1.19  1   AF 1 
HETATM 3382 O O5    . LIG_AF AF 37 .   ? -1.861  9.509   -31.311 1.00 1.16  1   AF 1 
HETATM 3383 O O6    . LIG_AF AF 37 .   ? -1.562  7.290   -30.501 1.00 1.29  1   AF 1 
HETATM 3384 C C22   . LIG_AF AF 37 .   ? -1.054  6.140   -30.525 1.00 1.30  1   AF 1 
HETATM 3385 C C23   . LIG_AF AF 37 .   ? -1.844  5.178   -29.879 1.00 1.27  1   AF 1 
HETATM 3386 N N1    . LIG_AF AF 37 .   ? -1.224  4.435   -28.917 1.00 1.85  1   AF 1 
HETATM 3387 C C24   . LIG_AF AF 37 .   ? -2.227  3.727   -28.241 1.00 1.31  1   AF 1 
HETATM 3388 C C25   . LIG_AF AF 37 .   ? -0.303  3.554   -29.520 1.00 1.39  1   AF 1 
HETATM 3389 C C26   . LIG_AF AF 37 .   ? -0.540  5.273   -27.994 1.00 1.43  1   AF 1 
HETATM 3390 O O7    . LIG_AF AF 37 .   ? 2.527   10.914  -28.872 1.00 1.41  1   AF 1 
HETATM 3391 C C27   . LIG_AF AF 37 .   ? 2.198   12.043  -28.413 1.00 1.43  1   AF 1 
HETATM 3392 O O8    . LIG_AF AF 37 .   ? 1.084   12.309  -28.114 1.00 1.38  1   AF 1 
HETATM 3393 C C28   . LIG_AF AF 37 .   ? 3.188   12.854  -28.228 1.00 1.33  1   AF 1 
HETATM 3394 C C29   . LIG_AF AF 37 .   ? 3.953   12.951  -27.355 1.00 1.38  1   AF 1 
HETATM 3395 C C30   . LIG_AF AF 37 .   ? 4.739   13.087  -26.589 1.00 1.36  1   AF 1 
HETATM 3396 C C31   . LIG_AF AF 37 .   ? 5.512   13.122  -25.765 1.00 1.33  1   AF 1 
HETATM 3397 C C32   . LIG_AF AF 37 .   ? 6.294   13.155  -24.991 1.00 1.46  1   AF 1 
HETATM 3398 C C33   . LIG_AF AF 37 .   ? 7.081   13.155  -24.207 1.00 1.47  1   AF 1 
HETATM 3399 C C34   . LIG_AF AF 37 .   ? 7.881   13.125  -23.427 1.00 1.47  1   AF 1 
HETATM 3400 C C35   . LIG_AF AF 37 .   ? 8.690   13.068  -22.652 1.00 1.49  1   AF 1 
HETATM 3401 C C36   . LIG_AF AF 37 .   ? 9.509   12.998  -21.889 1.00 1.54  1   AF 1 
HETATM 3402 C C37   . LIG_AF AF 37 .   ? 10.348  12.915  -21.130 1.00 1.57  1   AF 1 
HETATM 3403 C C38   . LIG_AF AF 37 .   ? 11.184  12.880  -20.375 1.00 1.46  1   AF 1 
HETATM 3404 C C39   . LIG_AF AF 37 .   ? 12.034  12.916  -19.618 1.00 1.53  1   AF 1 
HETATM 3405 C C40   . LIG_AF AF 37 .   ? 12.871  13.053  -18.877 1.00 1.66  1   AF 1 
HETATM 3406 C C41   . LIG_AF AF 37 .   ? 13.698  13.249  -18.135 1.00 1.50  1   AF 1 
HETATM 3407 C C42   . LIG_AF AF 37 .   ? 14.451  13.524  -17.414 1.00 1.49  1   AF 1 
HETATM 3408 C C43   . LIG_AF AF 37 .   ? 15.125  13.854  -16.638 1.00 1.33  1   AF 1 
HETATM 3409 C C44   . LIG_AF AF 37 .   ? 15.734  14.284  -15.756 1.00 1.42  1   AF 1 
HETATM 3410 C C1    . LIG_BF BF 38 .   ? 26.489  7.255   10.626  1.00 1.37  1   BF 1 
HETATM 3411 C C2    . LIG_BF BF 38 .   ? 25.436  7.857   10.233  1.00 1.41  1   BF 1 
HETATM 3412 C C3    . LIG_BF BF 38 .   ? 24.352  8.017   10.538  1.00 1.48  1   BF 1 
HETATM 3413 C C4    . LIG_BF BF 38 .   ? 23.287  8.244   10.688  1.00 1.45  1   BF 1 
HETATM 3414 C C5    . LIG_BF BF 38 .   ? 22.210  8.314   10.976  1.00 1.39  1   BF 1 
HETATM 3415 C C6    . LIG_BF BF 38 .   ? 21.151  8.254   11.201  1.00 1.32  1   BF 1 
HETATM 3416 C C7    . LIG_BF BF 38 .   ? 20.151  8.029   11.484  1.00 1.24  1   BF 1 
HETATM 3417 C C8    . LIG_BF BF 38 .   ? 19.216  7.551   11.740  1.00 1.31  1   BF 1 
HETATM 3418 C C9    . LIG_BF BF 38 .   ? 18.301  7.135   12.054  1.00 1.30  1   BF 1 
HETATM 3419 C C10   . LIG_BF BF 38 .   ? 17.443  6.659   12.560  1.00 1.34  1   BF 1 
HETATM 3420 C C11   . LIG_BF BF 38 .   ? 16.685  6.424   13.285  1.00 1.33  1   BF 1 
HETATM 3421 C C12   . LIG_BF BF 38 .   ? 15.952  5.928   14.003  1.00 1.48  1   BF 1 
HETATM 3422 C C13   . LIG_BF BF 38 .   ? 15.220  5.766   14.817  1.00 1.36  1   BF 1 
HETATM 3423 C C14   . LIG_BF BF 38 .   ? 14.476  5.221   15.490  1.00 1.41  1   BF 1 
HETATM 3424 C C15   . LIG_BF BF 38 .   ? 13.589  5.023   16.125  1.00 1.42  1   BF 1 
HETATM 3425 C C16   . LIG_BF BF 38 .   ? 12.811  4.248   16.678  1.00 1.45  1   BF 1 
HETATM 3426 C C17   . LIG_BF BF 38 .   ? 11.622  4.341   16.938  1.00 1.32  1   BF 1 
HETATM 3427 C C18   . LIG_BF BF 38 .   ? 10.813  3.567   17.588  1.00 1.43  1   BF 1 
HETATM 3428 O O1    . LIG_BF BF 38 .   ? 10.119  4.021   18.440  1.00 1.57  1   BF 1 
HETATM 3429 O O2    . LIG_BF BF 38 .   ? 10.800  2.384   17.252  1.00 1.67  1   BF 1 
HETATM 3430 C C19   . LIG_BF BF 38 .   ? 10.024  1.582   17.948  1.00 1.37  1   BF 1 
HETATM 3431 C C20   . LIG_BF BF 38 .   ? 9.697   0.367   17.238  1.00 1.59  1   BF 1 
HETATM 3432 C C21   . LIG_BF BF 38 .   ? 9.392   -0.718  18.211  1.00 1.73  1   BF 1 
HETATM 3433 O O3    . LIG_BF BF 38 .   ? 8.229   -0.579  18.804  1.00 1.85  1   BF 1 
HETATM 3434 P P1    . LIG_BF BF 38 .   ? 7.652   -1.756  19.649  1.00 2.47  1   BF 1 
HETATM 3435 O O4    . LIG_BF BF 38 .   ? 6.472   -2.206  18.996  1.00 2.06  1   BF 1 
HETATM 3436 O O5    . LIG_BF BF 38 .   ? 8.625   -2.677  19.996  1.00 2.13  1   BF 1 
HETATM 3437 O O6    . LIG_BF BF 38 .   ? 7.223   -0.914  20.875  1.00 2.02  1   BF 1 
HETATM 3438 C C22   . LIG_BF BF 38 .   ? 6.758   -1.425  21.934  1.00 1.68  1   BF 1 
HETATM 3439 C C23   . LIG_BF BF 38 .   ? 6.598   -0.436  22.927  1.00 1.58  1   BF 1 
HETATM 3440 N N1    . LIG_BF BF 38 .   ? 5.437   -0.375  23.470  1.00 3.59  1   BF 1 
HETATM 3441 O O7    . LIG_BF BF 38 .   ? 10.762  -0.118  16.512  1.00 1.62  1   BF 1 
HETATM 3442 C C24   . LIG_BF BF 38 .   ? 10.545  -0.349  15.295  1.00 1.90  1   BF 1 
HETATM 3443 O O8    . LIG_BF BF 38 .   ? 9.528   -0.020  14.759  1.00 1.67  1   BF 1 
HETATM 3444 C C25   . LIG_BF BF 38 .   ? 11.580  -0.991  14.637  1.00 2.08  1   BF 1 
HETATM 3445 C C26   . LIG_BF BF 38 .   ? 11.645  -0.788  13.295  1.00 2.44  1   BF 1 
HETATM 3446 C C27   . LIG_BF BF 38 .   ? 12.564  0.013   12.844  1.00 2.29  1   BF 1 
HETATM 3447 C C28   . LIG_BF BF 38 .   ? 12.700  0.506   11.711  1.00 1.83  1   BF 1 
HETATM 3448 C C29   . LIG_BF BF 38 .   ? 13.344  1.420   11.266  1.00 1.73  1   BF 1 
HETATM 3449 C C30   . LIG_BF BF 38 .   ? 13.508  2.247   10.494  1.00 1.62  1   BF 1 
HETATM 3450 C C31   . LIG_BF BF 38 .   ? 14.026  3.221   10.161  1.00 1.54  1   BF 1 
HETATM 3451 C C32   . LIG_BF BF 38 .   ? 14.305  4.082   9.515   1.00 1.54  1   BF 1 
HETATM 3452 C C33   . LIG_BF BF 38 .   ? 14.916  4.879   9.072   1.00 1.48  1   BF 1 
HETATM 3453 C C34   . LIG_BF BF 38 .   ? 15.491  5.575   8.415   1.00 1.43  1   BF 1 
HETATM 3454 C C35   . LIG_BF BF 38 .   ? 16.393  6.081   7.964   1.00 1.39  1   BF 1 
HETATM 3455 C C36   . LIG_BF BF 38 .   ? 17.087  6.564   7.239   1.00 1.52  1   BF 1 
HETATM 3456 C C37   . LIG_BF BF 38 .   ? 18.054  6.935   6.728   1.00 1.61  1   BF 1 
HETATM 3457 C C38   . LIG_BF BF 38 .   ? 18.659  7.336   5.863   1.00 1.49  1   BF 1 
HETATM 3458 C C39   . LIG_BF BF 38 .   ? 19.600  7.651   5.191   1.00 1.44  1   BF 1 
HETATM 3459 C C40   . LIG_BF BF 38 .   ? 20.045  7.931   4.169   1.00 1.43  1   BF 1 
HETATM 3460 C C41   . LIG_BF BF 38 .   ? 21.013  8.161   3.403   1.00 1.29  1   BF 1 
HETATM 3461 C C1    . LIG_AG AG 39 .   ? 24.384  0.663   -1.582  1.00 2.10  1   AG 1 
HETATM 3462 C C2    . LIG_AG AG 39 .   ? 24.765  0.395   -2.476  1.00 2.26  1   AG 1 
HETATM 3463 C C3    . LIG_AG AG 39 .   ? 24.350  -0.359  -3.162  1.00 2.11  1   AG 1 
HETATM 3464 C C4    . LIG_AG AG 39 .   ? 23.592  -1.063  -3.505  1.00 2.34  1   AG 1 
HETATM 3465 C C5    . LIG_AG AG 39 .   ? 22.862  -1.836  -3.847  1.00 2.12  1   AG 1 
HETATM 3466 C C6    . LIG_AG AG 39 .   ? 22.098  -2.614  -4.044  1.00 1.88  1   AG 1 
HETATM 3467 C C7    . LIG_AG AG 39 .   ? 21.369  -3.420  -4.206  1.00 1.84  1   AG 1 
HETATM 3468 C C8    . LIG_AG AG 39 .   ? 20.658  -4.244  -4.311  1.00 1.87  1   AG 1 
HETATM 3469 C C9    . LIG_AG AG 39 .   ? 20.015  -5.114  -4.427  1.00 1.98  1   AG 1 
HETATM 3470 C C10   . LIG_AG AG 39 .   ? 19.413  -6.045  -4.571  1.00 2.11  1   AG 1 
HETATM 3471 C C11   . LIG_AG AG 39 .   ? 18.877  -6.985  -4.742  1.00 2.10  1   AG 1 
HETATM 3472 C C12   . LIG_AG AG 39 .   ? 18.414  -7.967  -4.945  1.00 2.32  1   AG 1 
HETATM 3473 C C13   . LIG_AG AG 39 .   ? 17.988  -8.949  -5.202  1.00 1.86  1   AG 1 
HETATM 3474 C C14   . LIG_AG AG 39 .   ? 17.590  -9.951  -5.456  1.00 1.94  1   AG 1 
HETATM 3475 C C15   . LIG_AG AG 39 .   ? 17.191  -10.938 -5.742  1.00 1.94  1   AG 1 
HETATM 3476 C C16   . LIG_AG AG 39 .   ? 16.804  -11.931 -6.070  1.00 2.01  1   AG 1 
HETATM 3477 C C17   . LIG_AG AG 39 .   ? 16.222  -12.795 -6.418  1.00 1.81  1   AG 1 
HETATM 3478 C C18   . LIG_AG AG 39 .   ? 15.019  -13.113 -6.627  1.00 2.35  1   AG 1 
HETATM 3479 O O1    . LIG_AG AG 39 .   ? 14.525  -12.979 -7.683  1.00 3.60  1   AG 1 
HETATM 3480 O O2    . LIG_AG AG 39 .   ? 14.454  -13.466 -5.642  1.00 3.67  1   AG 1 
HETATM 3481 C C19   . LIG_AG AG 39 .   ? 13.205  -13.809 -5.777  1.00 2.64  1   AG 1 
HETATM 3482 C C20   . LIG_AG AG 39 .   ? 12.660  -14.196 -4.495  1.00 3.69  1   AG 1 
HETATM 3483 C C21   . LIG_AG AG 39 .   ? 11.368  -14.899 -4.646  1.00 3.73  1   AG 1 
HETATM 3484 O O3    . LIG_AG AG 39 .   ? 11.383  -15.658 -5.705  1.00 3.73  1   AG 1 
HETATM 3485 P P1    . LIG_AG AG 39 .   ? 10.436  -16.855 -5.878  1.00 4.62  1   AG 1 
HETATM 3486 O O4    . LIG_AG AG 39 .   ? 10.032  -16.837 -7.218  1.00 3.17  1   AG 1 
HETATM 3487 O O5    . LIG_AG AG 39 .   ? 9.481   -16.940 -4.860  1.00 4.62  1   AG 1 
HETATM 3488 O O6    . LIG_AG AG 39 .   ? 11.441  -17.933 -5.576  1.00 4.10  1   AG 1 
HETATM 3489 C C22   . LIG_AG AG 39 .   ? 12.142  -18.608 -6.352  1.00 4.24  1   AG 1 
HETATM 3490 C C23   . LIG_AG AG 39 .   ? 13.270  -19.050 -5.663  1.00 4.20  1   AG 1 
HETATM 3491 N N1    . LIG_AG AG 39 .   ? 13.864  -20.209 -6.037  1.00 4.90  1   AG 1 
HETATM 3492 C C24   . LIG_AG AG 39 .   ? 14.239  -20.125 -7.391  1.00 3.31  1   AG 1 
HETATM 3493 C C25   . LIG_AG AG 39 .   ? 14.990  -20.360 -5.212  1.00 4.06  1   AG 1 
HETATM 3494 C C26   . LIG_AG AG 39 .   ? 12.970  -21.296 -5.835  1.00 4.47  1   AG 1 
HETATM 3495 O O7    . LIG_AG AG 39 .   ? 12.397  -13.036 -3.810  1.00 3.84  1   AG 1 
HETATM 3496 C C27   . LIG_AG AG 39 .   ? 12.873  -13.006 -2.653  1.00 4.74  1   AG 1 
HETATM 3497 O O8    . LIG_AG AG 39 .   ? 13.214  -13.983 -2.072  1.00 3.35  1   AG 1 
HETATM 3498 C C28   . LIG_AG AG 39 .   ? 13.022  -11.813 -2.185  1.00 3.89  1   AG 1 
HETATM 3499 C C29   . LIG_AG AG 39 .   ? 13.924  -11.141 -2.012  1.00 3.81  1   AG 1 
HETATM 3500 C C30   . LIG_AG AG 39 .   ? 14.682  -10.381 -1.791  1.00 3.23  1   AG 1 
HETATM 3501 C C31   . LIG_AG AG 39 .   ? 15.497  -9.652  -1.576  1.00 2.86  1   AG 1 
HETATM 3502 C C32   . LIG_AG AG 39 .   ? 16.214  -8.862  -1.304  1.00 2.89  1   AG 1 
HETATM 3503 C C33   . LIG_AG AG 39 .   ? 16.945  -8.063  -1.020  1.00 2.47  1   AG 1 
HETATM 3504 C C34   . LIG_AG AG 39 .   ? 17.647  -7.236  -0.716  1.00 2.21  1   AG 1 
HETATM 3505 C C35   . LIG_AG AG 39 .   ? 18.338  -6.393  -0.428  1.00 2.17  1   AG 1 
HETATM 3506 C C36   . LIG_AG AG 39 .   ? 19.018  -5.520  -0.172  1.00 2.24  1   AG 1 
HETATM 3507 C C37   . LIG_AG AG 39 .   ? 19.695  -4.632  0.047   1.00 2.22  1   AG 1 
HETATM 3508 C C38   . LIG_AG AG 39 .   ? 20.355  -3.699  0.210   1.00 1.84  1   AG 1 
HETATM 3509 C C39   . LIG_AG AG 39 .   ? 21.001  -2.745  0.306   1.00 1.84  1   AG 1 
HETATM 3510 C C40   . LIG_AG AG 39 .   ? 21.615  -1.779  0.317   1.00 1.98  1   AG 1 
HETATM 3511 C C41   . LIG_AG AG 39 .   ? 22.189  -0.799  0.242   1.00 1.61  1   AG 1 
HETATM 3512 C C42   . LIG_AG AG 39 .   ? 22.705  0.131   0.065   1.00 1.60  1   AG 1 
HETATM 3513 C C43   . LIG_AG AG 39 .   ? 23.085  1.135   -0.115  1.00 1.41  1   AG 1 
HETATM 3514 C C44   . LIG_AG AG 39 .   ? 23.361  2.265   -0.288  1.00 1.46  1   AG 1 
HETATM 3515 C C1    . LIG_BG BG 40 .   ? 16.874  9.525   -15.841 1.00 1.60  1   BG 1 
HETATM 3516 C C2    . LIG_BG BG 40 .   ? 16.352  9.933   -15.254 1.00 1.74  1   BG 1 
HETATM 3517 C C3    . LIG_BG BG 40 .   ? 15.295  9.788   -15.250 1.00 1.77  1   BG 1 
HETATM 3518 C C4    . LIG_BG BG 40 .   ? 14.428  9.314   -15.683 1.00 1.94  1   BG 1 
HETATM 3519 C C5    . LIG_BG BG 40 .   ? 13.574  8.812   -16.177 1.00 1.76  1   BG 1 
HETATM 3520 C C6    . LIG_BG BG 40 .   ? 12.795  8.270   -16.781 1.00 1.63  1   BG 1 
HETATM 3521 C C7    . LIG_BG BG 40 .   ? 12.030  7.766   -17.399 1.00 1.52  1   BG 1 
HETATM 3522 C C8    . LIG_BG BG 40 .   ? 11.277  7.291   -18.065 1.00 1.52  1   BG 1 
HETATM 3523 C C9    . LIG_BG BG 40 .   ? 10.528  6.846   -18.728 1.00 1.55  1   BG 1 
HETATM 3524 C C10   . LIG_BG BG 40 .   ? 9.730   6.405   -19.429 1.00 1.62  1   BG 1 
HETATM 3525 C C11   . LIG_BG BG 40 .   ? 8.926   6.025   -20.104 1.00 1.48  1   BG 1 
HETATM 3526 C C12   . LIG_BG BG 40 .   ? 8.083   5.679   -20.786 1.00 1.56  1   BG 1 
HETATM 3527 C C13   . LIG_BG BG 40 .   ? 7.229   5.389   -21.457 1.00 1.32  1   BG 1 
HETATM 3528 C C14   . LIG_BG BG 40 .   ? 6.313   5.118   -22.081 1.00 1.31  1   BG 1 
HETATM 3529 C C15   . LIG_BG BG 40 .   ? 5.448   4.862   -22.714 1.00 1.32  1   BG 1 
HETATM 3530 C C16   . LIG_BG BG 40 .   ? 4.443   4.629   -23.255 1.00 1.28  1   BG 1 
HETATM 3531 C C17   . LIG_BG BG 40 .   ? 3.665   4.267   -23.884 1.00 1.22  1   BG 1 
HETATM 3532 C C18   . LIG_BG BG 40 .   ? 2.433   3.998   -24.196 1.00 1.25  1   BG 1 
HETATM 3533 O O1    . LIG_BG BG 40 .   ? 1.544   4.637   -23.784 1.00 1.58  1   BG 1 
HETATM 3534 O O2    . LIG_BG BG 40 .   ? 2.307   3.015   -24.899 1.00 1.52  1   BG 1 
HETATM 3535 C C19   . LIG_BG BG 40 .   ? 1.098   2.532   -25.050 1.00 1.18  1   BG 1 
HETATM 3536 C C20   . LIG_BG BG 40 .   ? 1.155   1.156   -25.564 1.00 1.19  1   BG 1 
HETATM 3537 C C21   . LIG_BG BG 40 .   ? -0.202  0.594   -25.700 1.00 1.20  1   BG 1 
HETATM 3538 O O3    . LIG_BG BG 40 .   ? -0.694  0.766   -26.900 1.00 1.22  1   BG 1 
HETATM 3539 P P1    . LIG_BG BG 40 .   ? -1.984  0.047   -27.336 1.00 1.20  1   BG 1 
HETATM 3540 O O4    . LIG_BG BG 40 .   ? -2.463  -0.799  -26.304 1.00 1.15  1   BG 1 
HETATM 3541 O O5    . LIG_BG BG 40 .   ? -2.822  0.963   -27.966 1.00 1.13  1   BG 1 
HETATM 3542 O O6    . LIG_BG BG 40 .   ? -1.345  -0.847  -28.414 1.00 1.20  1   BG 1 
HETATM 3543 C C22   . LIG_BG BG 40 .   ? -1.957  -1.778  -29.067 1.00 1.22  1   BG 1 
HETATM 3544 C C23   . LIG_BG BG 40 .   ? -1.025  -2.276  -29.884 1.00 1.21  1   BG 1 
HETATM 3545 N N1    . LIG_BG BG 40 .   ? 0.039   -1.798  -29.734 1.00 1.85  1   BG 1 
HETATM 3546 O O7    . LIG_BG BG 40 .   ? 1.782   0.354   -24.625 1.00 1.32  1   BG 1 
HETATM 3547 C C24   . LIG_BG BG 40 .   ? 2.676   -0.395  -25.063 1.00 1.24  1   BG 1 
HETATM 3548 O O8    . LIG_BG BG 40 .   ? 2.803   -0.633  -26.214 1.00 1.32  1   BG 1 
HETATM 3549 C C25   . LIG_BG BG 40 .   ? 3.517   -0.824  -24.179 1.00 1.27  1   BG 1 
HETATM 3550 C C26   . LIG_BG BG 40 .   ? 4.661   -0.732  -24.118 1.00 1.40  1   BG 1 
HETATM 3551 C C27   . LIG_BG BG 40 .   ? 5.678   -0.574  -23.818 1.00 1.42  1   BG 1 
HETATM 3552 C C28   . LIG_BG BG 40 .   ? 6.738   -0.312  -23.609 1.00 1.33  1   BG 1 
HETATM 3553 C C29   . LIG_BG BG 40 .   ? 7.739   0.033   -23.330 1.00 1.38  1   BG 1 
HETATM 3554 C C30   . LIG_BG BG 40 .   ? 8.762   0.406   -23.081 1.00 1.46  1   BG 1 
HETATM 3555 C C31   . LIG_BG BG 40 .   ? 9.732   0.842   -22.807 1.00 1.45  1   BG 1 
HETATM 3556 C C32   . LIG_BG BG 40 .   ? 10.662  1.337   -22.519 1.00 1.55  1   BG 1 
HETATM 3557 C C33   . LIG_BG BG 40 .   ? 11.555  1.898   -22.212 1.00 1.51  1   BG 1 
HETATM 3558 C C34   . LIG_BG BG 40 .   ? 12.413  2.509   -21.852 1.00 1.45  1   BG 1 
HETATM 3559 C C35   . LIG_BG BG 40 .   ? 13.208  3.157   -21.429 1.00 1.51  1   BG 1 
HETATM 3560 C C36   . LIG_BG BG 40 .   ? 13.921  3.854   -20.902 1.00 1.61  1   BG 1 
HETATM 3561 C C37   . LIG_BG BG 40 .   ? 14.559  4.578   -20.308 1.00 1.64  1   BG 1 
HETATM 3562 C C38   . LIG_BG BG 40 .   ? 15.130  5.330   -19.635 1.00 1.43  1   BG 1 
HETATM 3563 C C39   . LIG_BG BG 40 .   ? 15.649  6.064   -18.944 1.00 1.51  1   BG 1 
HETATM 3564 C C40   . LIG_BG BG 40 .   ? 16.130  6.762   -18.250 1.00 1.49  1   BG 1 
HETATM 3565 C C41   . LIG_BG BG 40 .   ? 16.568  7.407   -17.588 1.00 1.35  1   BG 1 
HETATM 3566 C C1    . LIG_AH AH 41 .   ? 17.346  20.279  7.566   1.00 1.90  1   AH 1 
HETATM 3567 C C2    . LIG_AH AH 41 .   ? 17.763  19.311  7.426   1.00 2.01  1   AH 1 
HETATM 3568 C C3    . LIG_AH AH 41 .   ? 17.299  18.406  7.883   1.00 1.92  1   AH 1 
HETATM 3569 C C4    . LIG_AH AH 41 .   ? 16.463  18.046  8.516   1.00 2.09  1   AH 1 
HETATM 3570 C C5    . LIG_AH AH 41 .   ? 15.606  17.726  9.162   1.00 1.86  1   AH 1 
HETATM 3571 C C6    . LIG_AH AH 41 .   ? 14.737  17.487  9.839   1.00 1.62  1   AH 1 
HETATM 3572 C C7    . LIG_AH AH 41 .   ? 13.907  17.221  10.537  1.00 1.55  1   AH 1 
HETATM 3573 C C8    . LIG_AH AH 41 .   ? 13.139  16.929  11.291  1.00 1.53  1   AH 1 
HETATM 3574 C C9    . LIG_AH AH 41 .   ? 12.446  16.587  12.076  1.00 1.55  1   AH 1 
HETATM 3575 C C10   . LIG_AH AH 41 .   ? 11.783  16.201  12.926  1.00 1.66  1   AH 1 
HETATM 3576 C C11   . LIG_AH AH 41 .   ? 11.237  15.757  13.789  1.00 1.53  1   AH 1 
HETATM 3577 C C12   . LIG_AH AH 41 .   ? 10.705  15.268  14.660  1.00 1.61  1   AH 1 
HETATM 3578 C C13   . LIG_AH AH 41 .   ? 10.183  14.779  15.524  1.00 1.33  1   AH 1 
HETATM 3579 C C14   . LIG_AH AH 41 .   ? 9.652   14.277  16.388  1.00 1.37  1   AH 1 
HETATM 3580 C C15   . LIG_AH AH 41 .   ? 9.116   13.761  17.235  1.00 1.34  1   AH 1 
HETATM 3581 C C16   . LIG_AH AH 41 .   ? 8.563   13.210  18.051  1.00 1.34  1   AH 1 
HETATM 3582 C C17   . LIG_AH AH 41 .   ? 7.865   12.734  18.805  1.00 1.27  1   AH 1 
HETATM 3583 C C18   . LIG_AH AH 41 .   ? 6.617   12.408  18.893  1.00 1.40  1   AH 1 
HETATM 3584 O O1    . LIG_AH AH 41 .   ? 6.004   12.105  17.933  1.00 1.79  1   AH 1 
HETATM 3585 O O2    . LIG_AH AH 41 .   ? 6.124   12.465  20.004  1.00 1.70  1   AH 1 
HETATM 3586 C C19   . LIG_AH AH 41 .   ? 4.837   12.257  20.096  1.00 1.26  1   AH 1 
HETATM 3587 C C20   . LIG_AH AH 41 .   ? 4.160   13.294  20.872  1.00 1.28  1   AH 1 
HETATM 3588 C C21   . LIG_AH AH 41 .   ? 2.740   12.960  21.079  1.00 1.32  1   AH 1 
HETATM 3589 O O3    . LIG_AH AH 41 .   ? 2.610   11.921  21.837  1.00 1.36  1   AH 1 
HETATM 3590 P P1    . LIG_AH AH 41 .   ? 1.249   11.526  22.406  1.00 1.28  1   AH 1 
HETATM 3591 O O4    . LIG_AH AH 41 .   ? 1.302   11.696  23.821  1.00 1.22  1   AH 1 
HETATM 3592 O O5    . LIG_AH AH 41 .   ? 0.174   12.017  21.696  1.00 1.27  1   AH 1 
HETATM 3593 O O6    . LIG_AH AH 41 .   ? 1.362   10.033  22.048  1.00 1.45  1   AH 1 
HETATM 3594 C C22   . LIG_AH AH 41 .   ? 0.788   9.115   22.694  1.00 1.40  1   AH 1 
HETATM 3595 C C23   . LIG_AH AH 41 .   ? 1.539   7.979   22.742  1.00 1.42  1   AH 1 
HETATM 3596 N N1    . LIG_AH AH 41 .   ? 1.033   6.893   23.418  1.00 2.13  1   AH 1 
HETATM 3597 C C24   . LIG_AH AH 41 .   ? 0.961   5.830   22.516  1.00 1.56  1   AH 1 
HETATM 3598 C C25   . LIG_AH AH 41 .   ? 1.921   6.580   24.478  1.00 1.58  1   AH 1 
HETATM 3599 C C26   . LIG_AH AH 41 .   ? -0.257  7.133   23.943  1.00 1.64  1   AH 1 
HETATM 3600 O O7    . LIG_AH AH 41 .   ? 4.140   14.470  20.135  1.00 1.52  1   AH 1 
HETATM 3601 C C27   . LIG_AH AH 41 .   ? 4.747   15.451  20.626  1.00 1.49  1   AH 1 
HETATM 3602 O O8    . LIG_AH AH 41 .   ? 5.196   15.430  21.719  1.00 1.46  1   AH 1 
HETATM 3603 C C28   . LIG_AH AH 41 .   ? 4.912   16.442  19.798  1.00 1.39  1   AH 1 
HETATM 3604 C C29   . LIG_AH AH 41 .   ? 5.792   16.831  19.142  1.00 1.45  1   AH 1 
HETATM 3605 C C30   . LIG_AH AH 41 .   ? 6.457   17.374  18.404  1.00 1.42  1   AH 1 
HETATM 3606 C C31   . LIG_AH AH 41 .   ? 7.214   17.825  17.670  1.00 1.40  1   AH 1 
HETATM 3607 C C32   . LIG_AH AH 41 .   ? 7.871   18.338  16.904  1.00 1.52  1   AH 1 
HETATM 3608 C C33   . LIG_AH AH 41 .   ? 8.534   18.835  16.112  1.00 1.49  1   AH 1 
HETATM 3609 C C34   . LIG_AH AH 41 .   ? 9.185   19.321  15.296  1.00 1.45  1   AH 1 
HETATM 3610 C C35   . LIG_AH AH 41 .   ? 9.853   19.769  14.476  1.00 1.48  1   AH 1 
HETATM 3611 C C36   . LIG_AH AH 41 .   ? 10.532  20.182  13.639  1.00 1.55  1   AH 1 
HETATM 3612 C C37   . LIG_AH AH 41 .   ? 11.238  20.559  12.800  1.00 1.58  1   AH 1 
HETATM 3613 C C38   . LIG_AH AH 41 .   ? 11.982  20.917  11.978  1.00 1.48  1   AH 1 
HETATM 3614 C C39   . LIG_AH AH 41 .   ? 12.769  21.233  11.151  1.00 1.58  1   AH 1 
HETATM 3615 C C40   . LIG_AH AH 41 .   ? 13.571  21.478  10.347  1.00 1.78  1   AH 1 
HETATM 3616 C C41   . LIG_AH AH 41 .   ? 14.399  21.678  9.551   1.00 1.52  1   AH 1 
HETATM 3617 C C42   . LIG_AH AH 41 .   ? 15.170  21.893  8.811   1.00 1.55  1   AH 1 
HETATM 3618 C C43   . LIG_AH AH 41 .   ? 15.911  22.146  8.041   1.00 1.36  1   AH 1 
HETATM 3619 C C44   . LIG_AH AH 41 .   ? 16.640  22.612  7.186   1.00 1.46  1   AH 1 
HETATM 3620 C C1    . LIG_BH BH 42 .   ? 7.533   15.920  -3.424  1.00 1.24  1   BH 1 
HETATM 3621 C C2    . LIG_BH BH 42 .   ? 6.530   15.262  -3.148  1.00 1.24  1   BH 1 
HETATM 3622 C C3    . LIG_BH BH 42 .   ? 5.448   15.286  -2.876  1.00 1.23  1   BH 1 
HETATM 3623 C C4    . LIG_BH BH 42 .   ? 4.543   14.629  -2.551  1.00 1.24  1   BH 1 
HETATM 3624 C C5    . LIG_BH BH 42 .   ? 3.510   14.384  -2.300  1.00 1.27  1   BH 1 
HETATM 3625 C C6    . LIG_BH BH 42 .   ? 2.620   13.820  -1.937  1.00 1.22  1   BH 1 
HETATM 3626 C C7    . LIG_BH BH 42 .   ? 1.594   13.607  -1.656  1.00 1.23  1   BH 1 
HETATM 3627 C C8    . LIG_BH BH 42 .   ? 0.694   13.149  -1.244  1.00 1.29  1   BH 1 
HETATM 3628 C C9    . LIG_BH BH 42 .   ? -0.274  12.877  -0.877  1.00 1.28  1   BH 1 
HETATM 3629 C C10   . LIG_BH BH 42 .   ? -1.218  12.483  -0.482  1.00 1.35  1   BH 1 
HETATM 3630 C C11   . LIG_BH BH 42 .   ? -2.152  12.180  -0.042  1.00 1.35  1   BH 1 
HETATM 3631 C C12   . LIG_BH BH 42 .   ? -3.112  11.764  0.379   1.00 1.40  1   BH 1 
HETATM 3632 C C13   . LIG_BH BH 42 .   ? -4.028  11.596  0.977   1.00 1.33  1   BH 1 
HETATM 3633 C C14   . LIG_BH BH 42 .   ? -5.031  11.254  1.343   1.00 1.36  1   BH 1 
HETATM 3634 C C15   . LIG_BH BH 42 .   ? -5.971  11.223  1.994   1.00 1.37  1   BH 1 
HETATM 3635 C C16   . LIG_BH BH 42 .   ? -7.091  10.791  2.119   1.00 1.38  1   BH 1 
HETATM 3636 C C17   . LIG_BH BH 42 .   ? -7.996  10.953  3.001   1.00 1.26  1   BH 1 
HETATM 3637 C C18   . LIG_BH BH 42 .   ? -9.200  10.372  2.850   1.00 1.31  1   BH 1 
HETATM 3638 O O1    . LIG_BH BH 42 .   ? -9.534  9.475   3.544   1.00 1.51  1   BH 1 
HETATM 3639 O O2    . LIG_BH BH 42 .   ? -9.901  10.850  1.942   1.00 1.43  1   BH 1 
HETATM 3640 C C19   . LIG_BH BH 42 .   ? -11.089 10.291  1.798   1.00 1.21  1   BH 1 
HETATM 3641 C C20   . LIG_BH BH 42 .   ? -11.905 10.962  0.799   1.00 1.21  1   BH 1 
HETATM 3642 C C21   . LIG_BH BH 42 .   ? -13.272 10.357  0.803   1.00 1.20  1   BH 1 
HETATM 3643 O O3    . LIG_BH BH 42 .   ? -13.560 9.854   2.022   1.00 1.26  1   BH 1 
HETATM 3644 P P1    . LIG_BH BH 42 .   ? -15.025 9.615   2.549   1.00 1.22  1   BH 1 
HETATM 3645 O O4    . LIG_BH BH 42 .   ? -14.911 8.651   3.624   1.00 1.18  1   BH 1 
HETATM 3646 O O5    . LIG_BH BH 42 .   ? -15.889 9.342   1.486   1.00 1.16  1   BH 1 
HETATM 3647 O O6    . LIG_BH BH 42 .   ? -15.373 10.973  3.253   1.00 1.25  1   BH 1 
HETATM 3648 C C22   . LIG_BH BH 42 .   ? -15.284 12.130  2.711   1.00 1.20  1   BH 1 
HETATM 3649 C C23   . LIG_BH BH 42 .   ? -15.511 13.116  3.658   1.00 1.18  1   BH 1 
HETATM 3650 N N1    . LIG_BH BH 42 .   ? -16.695 13.253  4.120   1.00 1.56  1   BH 1 
HETATM 3651 O O7    . LIG_BH BH 42 .   ? -11.307 10.731  -0.421  1.00 1.21  1   BH 1 
HETATM 3652 C C24   . LIG_BH BH 42 .   ? -11.472 11.608  -1.328  1.00 1.24  1   BH 1 
HETATM 3653 O O8    . LIG_BH BH 42 .   ? -12.473 12.254  -1.405  1.00 1.23  1   BH 1 
HETATM 3654 C C25   . LIG_BH BH 42 .   ? -10.402 11.776  -2.212  1.00 1.26  1   BH 1 
HETATM 3655 C C26   . LIG_BH BH 42 .   ? -9.393  12.432  -1.634  1.00 1.38  1   BH 1 
HETATM 3656 C C27   . LIG_BH BH 42 .   ? -8.411  13.017  -1.976  1.00 1.35  1   BH 1 
HETATM 3657 C C28   . LIG_BH BH 42 .   ? -7.506  13.653  -1.531  1.00 1.22  1   BH 1 
HETATM 3658 C C29   . LIG_BH BH 42 .   ? -6.562  14.305  -1.691  1.00 1.22  1   BH 1 
HETATM 3659 C C30   . LIG_BH BH 42 .   ? -5.666  14.930  -1.267  1.00 1.23  1   BH 1 
HETATM 3660 C C31   . LIG_BH BH 42 .   ? -4.667  15.546  -1.346  1.00 1.19  1   BH 1 
HETATM 3661 C C32   . LIG_BH BH 42 .   ? -3.729  16.075  -0.984  1.00 1.20  1   BH 1 
HETATM 3662 C C33   . LIG_BH BH 42 .   ? -2.719  16.543  -0.901  1.00 1.17  1   BH 1 
HETATM 3663 C C34   . LIG_BH BH 42 .   ? -1.699  16.963  -0.689  1.00 1.18  1   BH 1 
HETATM 3664 C C35   . LIG_BH BH 42 .   ? -0.660  17.328  -0.660  1.00 1.18  1   BH 1 
HETATM 3665 C C36   . LIG_BH BH 42 .   ? 0.395   17.698  -0.590  1.00 1.22  1   BH 1 
HETATM 3666 C C37   . LIG_BH BH 42 .   ? 1.468   18.026  -0.638  1.00 1.27  1   BH 1 
HETATM 3667 C C38   . LIG_BH BH 42 .   ? 2.542   18.340  -0.649  1.00 1.23  1   BH 1 
HETATM 3668 C C39   . LIG_BH BH 42 .   ? 3.643   18.661  -0.774  1.00 1.21  1   BH 1 
HETATM 3669 C C40   . LIG_BH BH 42 .   ? 4.670   18.977  -0.910  1.00 1.21  1   BH 1 
HETATM 3670 C C41   . LIG_BH BH 42 .   ? 5.795   19.337  -1.134  1.00 1.18  1   BH 1 
HETATM 3671 C C1    . LIG_AI AI 43 .   ? 21.480  3.083   3.045   1.00 2.11  1   AI 1 
HETATM 3672 C C2    . LIG_AI AI 43 .   ? 22.177  2.722   3.676   1.00 2.22  1   AI 1 
HETATM 3673 C C3    . LIG_AI AI 43 .   ? 22.244  1.722   4.146   1.00 2.07  1   AI 1 
HETATM 3674 C C4    . LIG_AI AI 43 .   ? 21.969  0.686   4.360   1.00 2.45  1   AI 1 
HETATM 3675 C C5    . LIG_AI AI 43 .   ? 21.675  -0.383  4.512   1.00 2.17  1   AI 1 
HETATM 3676 C C6    . LIG_AI AI 43 .   ? 21.315  -1.444  4.561   1.00 2.04  1   AI 1 
HETATM 3677 C C7    . LIG_AI AI 43 .   ? 20.953  -2.481  4.573   1.00 1.91  1   AI 1 
HETATM 3678 C C8    . LIG_AI AI 43 .   ? 20.572  -3.521  4.541   1.00 2.03  1   AI 1 
HETATM 3679 C C9    . LIG_AI AI 43 .   ? 20.196  -4.539  4.498   1.00 2.11  1   AI 1 
HETATM 3680 C C10   . LIG_AI AI 43 .   ? 19.785  -5.600  4.440   1.00 2.28  1   AI 1 
HETATM 3681 C C11   . LIG_AI AI 43 .   ? 19.388  -6.625  4.379   1.00 2.40  1   AI 1 
HETATM 3682 C C12   . LIG_AI AI 43 .   ? 18.995  -7.685  4.298   1.00 2.73  1   AI 1 
HETATM 3683 C C13   . LIG_AI AI 43 .   ? 18.674  -8.737  4.204   1.00 2.37  1   AI 1 
HETATM 3684 C C14   . LIG_AI AI 43 .   ? 18.366  -9.823  4.051   1.00 2.57  1   AI 1 
HETATM 3685 C C15   . LIG_AI AI 43 .   ? 18.167  -10.889 3.889   1.00 2.51  1   AI 1 
HETATM 3686 C C16   . LIG_AI AI 43 .   ? 17.947  -11.996 3.612   1.00 2.83  1   AI 1 
HETATM 3687 C C17   . LIG_AI AI 43 .   ? 17.971  -13.038 3.378   1.00 2.40  1   AI 1 
HETATM 3688 C C18   . LIG_AI AI 43 .   ? 17.670  -14.160 2.851   1.00 3.08  1   AI 1 
HETATM 3689 O O1    . LIG_AI AI 43 .   ? 18.515  -14.857 2.452   1.00 4.36  1   AI 1 
HETATM 3690 O O2    . LIG_AI AI 43 .   ? 16.476  -14.389 2.757   1.00 4.49  1   AI 1 
HETATM 3691 C C19   . LIG_AI AI 43 .   ? 16.089  -15.451 2.068   1.00 3.54  1   AI 1 
HETATM 3692 C C20   . LIG_AI AI 43 .   ? 14.645  -15.529 2.011   1.00 5.17  1   AI 1 
HETATM 3693 C C21   . LIG_AI AI 43 .   ? 14.160  -16.629 1.157   1.00 4.96  1   AI 1 
HETATM 3694 O O3    . LIG_AI AI 43 .   ? 14.403  -17.808 1.693   1.00 5.04  1   AI 1 
HETATM 3695 P P1    . LIG_AI AI 43 .   ? 13.431  -18.518 2.678   1.00 6.37  1   AI 1 
HETATM 3696 O O4    . LIG_AI AI 43 .   ? 13.974  -19.835 2.886   1.00 4.82  1   AI 1 
HETATM 3697 O O5    . LIG_AI AI 43 .   ? 13.111  -17.738 3.769   1.00 5.65  1   AI 1 
HETATM 3698 O O6    . LIG_AI AI 43 .   ? 12.132  -18.690 1.817   1.00 5.23  1   AI 1 
HETATM 3699 C C22   . LIG_AI AI 43 .   ? 11.396  -19.752 1.926   1.00 5.74  1   AI 1 
HETATM 3700 C C23   . LIG_AI AI 43 .   ? 10.025  -19.513 1.920   1.00 6.80  1   AI 1 
HETATM 3701 N N1    . LIG_AI AI 43 .   ? 9.351   -19.376 0.719   1.00 8.27  1   AI 1 
HETATM 3702 C C24   . LIG_AI AI 43 .   ? 9.330   -18.006 0.375   1.00 6.97  1   AI 1 
HETATM 3703 C C25   . LIG_AI AI 43 .   ? 8.031   -19.817 0.893   1.00 6.96  1   AI 1 
HETATM 3704 C C26   . LIG_AI AI 43 .   ? 9.958   -20.124 -0.330  1.00 7.46  1   AI 1 
HETATM 3705 O O7    . LIG_AI AI 43 .   ? 14.154  -14.374 1.443   1.00 4.54  1   AI 1 
HETATM 3706 C C27   . LIG_AI AI 43 .   ? 13.460  -13.683 2.205   1.00 5.32  1   AI 1 
HETATM 3707 O O8    . LIG_AI AI 43 .   ? 13.018  -14.100 3.222   1.00 3.62  1   AI 1 
HETATM 3708 C C28   . LIG_AI AI 43 .   ? 13.318  -12.462 1.834   1.00 4.51  1   AI 1 
HETATM 3709 C C29   . LIG_AI AI 43 .   ? 13.706  -11.466 2.186   1.00 4.21  1   AI 1 
HETATM 3710 C C30   . LIG_AI AI 43 .   ? 13.945  -10.383 2.217   1.00 3.80  1   AI 1 
HETATM 3711 C C31   . LIG_AI AI 43 .   ? 14.256  -9.334  2.320   1.00 3.37  1   AI 1 
HETATM 3712 C C32   . LIG_AI AI 43 .   ? 14.478  -8.252  2.317   1.00 3.34  1   AI 1 
HETATM 3713 C C33   . LIG_AI AI 43 .   ? 14.718  -7.176  2.278   1.00 2.82  1   AI 1 
HETATM 3714 C C34   . LIG_AI AI 43 .   ? 14.977  -6.085  2.183   1.00 2.55  1   AI 1 
HETATM 3715 C C35   . LIG_AI AI 43 .   ? 15.307  -5.031  2.084   1.00 2.28  1   AI 1 
HETATM 3716 C C36   . LIG_AI AI 43 .   ? 15.720  -3.991  1.978   1.00 2.35  1   AI 1 
HETATM 3717 C C37   . LIG_AI AI 43 .   ? 16.209  -2.982  1.890   1.00 2.28  1   AI 1 
HETATM 3718 C C38   . LIG_AI AI 43 .   ? 16.735  -1.971  1.828   1.00 1.92  1   AI 1 
HETATM 3719 C C39   . LIG_AI AI 43 .   ? 17.310  -0.968  1.815   1.00 1.95  1   AI 1 
HETATM 3720 C C40   . LIG_AI AI 43 .   ? 17.892  0.027   1.842   1.00 2.10  1   AI 1 
HETATM 3721 C C41   . LIG_AI AI 43 .   ? 18.478  1.024   1.900   1.00 1.71  1   AI 1 
HETATM 3722 C C42   . LIG_AI AI 43 .   ? 19.031  1.979   1.948   1.00 1.58  1   AI 1 
HETATM 3723 C C43   . LIG_AI AI 43 .   ? 19.499  2.966   1.944   1.00 1.40  1   AI 1 
HETATM 3724 C C44   . LIG_AI AI 43 .   ? 19.843  4.122   1.815   1.00 1.42  1   AI 1 
HETATM 3725 C C1    . LIG_BI BI 44 .   ? 23.250  8.625   -17.726 1.00 1.21  1   BI 1 
HETATM 3726 C C2    . LIG_BI BI 44 .   ? 22.475  7.590   -17.916 1.00 1.25  1   BI 1 
HETATM 3727 C C3    . LIG_BI BI 44 .   ? 21.651  6.964   -17.299 1.00 1.24  1   BI 1 
HETATM 3728 C C4    . LIG_BI BI 44 .   ? 20.812  6.062   -17.316 1.00 1.26  1   BI 1 
HETATM 3729 C C5    . LIG_BI BI 44 .   ? 19.946  5.360   -16.939 1.00 1.28  1   BI 1 
HETATM 3730 C C6    . LIG_BI BI 44 .   ? 19.071  4.564   -16.958 1.00 1.19  1   BI 1 
HETATM 3731 C C7    . LIG_BI BI 44 .   ? 18.163  3.892   -16.739 1.00 1.20  1   BI 1 
HETATM 3732 C C8    . LIG_BI BI 44 .   ? 17.227  3.198   -16.821 1.00 1.26  1   BI 1 
HETATM 3733 C C9    . LIG_BI BI 44 .   ? 16.273  2.612   -16.749 1.00 1.24  1   BI 1 
HETATM 3734 C C10   . LIG_BI BI 44 .   ? 15.257  2.035   -16.860 1.00 1.26  1   BI 1 
HETATM 3735 C C11   . LIG_BI BI 44 .   ? 14.267  1.483   -16.770 1.00 1.27  1   BI 1 
HETATM 3736 C C12   . LIG_BI BI 44 .   ? 13.247  0.928   -17.057 1.00 1.40  1   BI 1 
HETATM 3737 C C13   . LIG_BI BI 44 .   ? 12.261  0.282   -16.925 1.00 1.30  1   BI 1 
HETATM 3738 C C14   . LIG_BI BI 44 .   ? 11.295  -0.286  -17.346 1.00 1.30  1   BI 1 
HETATM 3739 C C15   . LIG_BI BI 44 .   ? 10.362  -1.034  -17.173 1.00 1.32  1   BI 1 
HETATM 3740 C C16   . LIG_BI BI 44 .   ? 9.428   -1.583  -17.809 1.00 1.32  1   BI 1 
HETATM 3741 C C17   . LIG_BI BI 44 .   ? 8.516   -2.378  -17.529 1.00 1.22  1   BI 1 
HETATM 3742 C C18   . LIG_BI BI 44 .   ? 7.554   -2.797  -18.383 1.00 1.27  1   BI 1 
HETATM 3743 O O1    . LIG_BI BI 44 .   ? 7.559   -2.515  -19.538 1.00 1.37  1   BI 1 
HETATM 3744 O O2    . LIG_BI BI 44 .   ? 6.680   -3.462  -17.854 1.00 1.38  1   BI 1 
HETATM 3745 C C19   . LIG_BI BI 44 .   ? 5.656   -3.864  -18.629 1.00 1.20  1   BI 1 
HETATM 3746 C C20   . LIG_BI BI 44 .   ? 4.668   -4.518  -17.770 1.00 1.23  1   BI 1 
HETATM 3747 C C21   . LIG_BI BI 44 .   ? 3.552   -5.134  -18.559 1.00 1.22  1   BI 1 
HETATM 3748 O O3    . LIG_BI BI 44 .   ? 2.864   -4.210  -19.282 1.00 1.23  1   BI 1 
HETATM 3749 P P1    . LIG_BI BI 44 .   ? 1.518   -4.589  -19.978 1.00 1.20  1   BI 1 
HETATM 3750 O O4    . LIG_BI BI 44 .   ? 1.044   -3.408  -20.595 1.00 1.14  1   BI 1 
HETATM 3751 O O5    . LIG_BI BI 44 .   ? 0.664   -5.290  -19.071 1.00 1.11  1   BI 1 
HETATM 3752 O O6    . LIG_BI BI 44 .   ? 2.002   -5.603  -21.061 1.00 1.20  1   BI 1 
HETATM 3753 C C22   . LIG_BI BI 44 .   ? 2.069   -5.284  -22.323 1.00 1.15  1   BI 1 
HETATM 3754 C C23   . LIG_BI BI 44 .   ? 2.399   -6.397  -23.087 1.00 1.12  1   BI 1 
HETATM 3755 N N1    . LIG_BI BI 44 .   ? 2.935   -7.391  -22.451 1.00 1.48  1   BI 1 
HETATM 3756 O O7    . LIG_BI BI 44 .   ? 4.096   -3.537  -16.945 1.00 1.24  1   BI 1 
HETATM 3757 C C24   . LIG_BI BI 44 .   ? 4.062   -3.826  -15.691 1.00 1.26  1   BI 1 
HETATM 3758 O O8    . LIG_BI BI 44 .   ? 4.317   -4.918  -15.292 1.00 1.29  1   BI 1 
HETATM 3759 C C25   . LIG_BI BI 44 .   ? 3.724   -2.760  -14.833 1.00 1.28  1   BI 1 
HETATM 3760 C C26   . LIG_BI BI 44 .   ? 4.591   -2.659  -13.753 1.00 1.47  1   BI 1 
HETATM 3761 C C27   . LIG_BI BI 44 .   ? 5.691   -1.960  -13.884 1.00 1.49  1   BI 1 
HETATM 3762 C C28   . LIG_BI BI 44 .   ? 6.704   -1.771  -13.192 1.00 1.35  1   BI 1 
HETATM 3763 C C29   . LIG_BI BI 44 .   ? 7.739   -1.163  -13.217 1.00 1.31  1   BI 1 
HETATM 3764 C C30   . LIG_BI BI 44 .   ? 8.824   -0.907  -12.861 1.00 1.34  1   BI 1 
HETATM 3765 C C31   . LIG_BI BI 44 .   ? 9.850   -0.343  -12.895 1.00 1.31  1   BI 1 
HETATM 3766 C C32   . LIG_BI BI 44 .   ? 10.934  -0.081  -12.616 1.00 1.35  1   BI 1 
HETATM 3767 C C33   . LIG_BI BI 44 .   ? 11.935  0.463   -12.533 1.00 1.28  1   BI 1 
HETATM 3768 C C34   . LIG_BI BI 44 .   ? 12.990  0.798   -12.242 1.00 1.30  1   BI 1 
HETATM 3769 C C35   . LIG_BI BI 44 .   ? 13.971  1.375   -12.136 1.00 1.30  1   BI 1 
HETATM 3770 C C36   . LIG_BI BI 44 .   ? 15.062  1.687   -11.874 1.00 1.36  1   BI 1 
HETATM 3771 C C37   . LIG_BI BI 44 .   ? 16.083  2.207   -11.863 1.00 1.38  1   BI 1 
HETATM 3772 C C38   . LIG_BI BI 44 .   ? 17.190  2.482   -11.828 1.00 1.32  1   BI 1 
HETATM 3773 C C39   . LIG_BI BI 44 .   ? 18.257  2.845   -12.083 1.00 1.30  1   BI 1 
HETATM 3774 C C40   . LIG_BI BI 44 .   ? 19.326  3.074   -12.335 1.00 1.30  1   BI 1 
HETATM 3775 C C41   . LIG_BI BI 44 .   ? 20.424  3.365   -12.825 1.00 1.26  1   BI 1 
HETATM 3776 C C1    . LIG_AJ AJ 45 .   ? 1.632   28.232  2.762   1.00 1.89  1   AJ 1 
HETATM 3777 C C2    . LIG_AJ AJ 45 .   ? 1.216   28.733  3.290   1.00 2.08  1   AJ 1 
HETATM 3778 C C3    . LIG_AJ AJ 45 .   ? 0.154   28.949  3.354   1.00 1.95  1   AJ 1 
HETATM 3779 C C4    . LIG_AJ AJ 45 .   ? -0.900  28.916  3.099   1.00 2.23  1   AJ 1 
HETATM 3780 C C5    . LIG_AJ AJ 45 .   ? -1.981  28.901  2.856   1.00 1.93  1   AJ 1 
HETATM 3781 C C6    . LIG_AJ AJ 45 .   ? -3.053  28.842  2.568   1.00 1.75  1   AJ 1 
HETATM 3782 C C7    . LIG_AJ AJ 45 .   ? -4.133  28.797  2.302   1.00 1.55  1   AJ 1 
HETATM 3783 C C8    . LIG_AJ AJ 45 .   ? -5.235  28.760  2.023   1.00 1.56  1   AJ 1 
HETATM 3784 C C9    . LIG_AJ AJ 45 .   ? -6.317  28.731  1.747   1.00 1.53  1   AJ 1 
HETATM 3785 C C10   . LIG_AJ AJ 45 .   ? -7.444  28.705  1.440   1.00 1.57  1   AJ 1 
HETATM 3786 C C11   . LIG_AJ AJ 45 .   ? -8.532  28.667  1.129   1.00 1.53  1   AJ 1 
HETATM 3787 C C12   . LIG_AJ AJ 45 .   ? -9.641  28.599  0.811   1.00 1.51  1   AJ 1 
HETATM 3788 C C13   . LIG_AJ AJ 45 .   ? -10.724 28.550  0.510   1.00 1.31  1   AJ 1 
HETATM 3789 C C14   . LIG_AJ AJ 45 .   ? -11.828 28.468  0.177   1.00 1.29  1   AJ 1 
HETATM 3790 C C15   . LIG_AJ AJ 45 .   ? -12.898 28.414  -0.106  1.00 1.29  1   AJ 1 
HETATM 3791 C C16   . LIG_AJ AJ 45 .   ? -14.006 28.317  -0.475  1.00 1.29  1   AJ 1 
HETATM 3792 C C17   . LIG_AJ AJ 45 .   ? -15.036 28.362  -0.716  1.00 1.23  1   AJ 1 
HETATM 3793 C C18   . LIG_AJ AJ 45 .   ? -16.171 28.158  -1.283  1.00 1.28  1   AJ 1 
HETATM 3794 O O1    . LIG_AJ AJ 45 .   ? -16.993 28.989  -1.325  1.00 1.52  1   AJ 1 
HETATM 3795 O O2    . LIG_AJ AJ 45 .   ? -16.276 27.050  -1.785  1.00 1.46  1   AJ 1 
HETATM 3796 C C19   . LIG_AJ AJ 45 .   ? -17.391 26.793  -2.418  1.00 1.23  1   AJ 1 
HETATM 3797 C C20   . LIG_AJ AJ 45 .   ? -17.199 25.964  -3.578  1.00 1.24  1   AJ 1 
HETATM 3798 C C21   . LIG_AJ AJ 45 .   ? -18.521 25.411  -3.972  1.00 1.26  1   AJ 1 
HETATM 3799 O O3    . LIG_AJ AJ 45 .   ? -18.654 25.326  -5.281  1.00 1.25  1   AJ 1 
HETATM 3800 P P1    . LIG_AJ AJ 45 .   ? -20.029 25.128  -5.953  1.00 1.23  1   AJ 1 
HETATM 3801 O O4    . LIG_AJ AJ 45 .   ? -19.762 24.936  -7.343  1.00 1.16  1   AJ 1 
HETATM 3802 O O5    . LIG_AJ AJ 45 .   ? -20.806 24.214  -5.256  1.00 1.13  1   AJ 1 
HETATM 3803 O O6    . LIG_AJ AJ 45 .   ? -20.555 26.564  -5.749  1.00 1.28  1   AJ 1 
HETATM 3804 C C22   . LIG_AJ AJ 45 .   ? -21.753 26.968  -5.668  1.00 1.29  1   AJ 1 
HETATM 3805 C C23   . LIG_AJ AJ 45 .   ? -21.895 27.836  -4.563  1.00 1.31  1   AJ 1 
HETATM 3806 N N1    . LIG_AJ AJ 45 .   ? -22.065 29.186  -4.781  1.00 1.85  1   AJ 1 
HETATM 3807 C C24   . LIG_AJ AJ 45 .   ? -21.171 29.662  -5.789  1.00 1.39  1   AJ 1 
HETATM 3808 C C25   . LIG_AJ AJ 45 .   ? -23.407 29.426  -5.189  1.00 1.42  1   AJ 1 
HETATM 3809 C C26   . LIG_AJ AJ 45 .   ? -21.796 29.848  -3.573  1.00 1.45  1   AJ 1 
HETATM 3810 O O7    . LIG_AJ AJ 45 .   ? -16.364 24.903  -3.266  1.00 1.41  1   AJ 1 
HETATM 3811 C C27   . LIG_AJ AJ 45 .   ? -15.247 24.950  -3.817  1.00 1.40  1   AJ 1 
HETATM 3812 O O8    . LIG_AJ AJ 45 .   ? -15.033 25.655  -4.750  1.00 1.36  1   AJ 1 
HETATM 3813 C C28   . LIG_AJ AJ 45 .   ? -14.318 24.250  -3.257  1.00 1.29  1   AJ 1 
HETATM 3814 C C29   . LIG_AJ AJ 45 .   ? -13.225 24.380  -2.973  1.00 1.35  1   AJ 1 
HETATM 3815 C C30   . LIG_AJ AJ 45 .   ? -12.209 24.292  -2.514  1.00 1.34  1   AJ 1 
HETATM 3816 C C31   . LIG_AJ AJ 45 .   ? -11.152 24.403  -2.123  1.00 1.33  1   AJ 1 
HETATM 3817 C C32   . LIG_AJ AJ 45 .   ? -10.105 24.467  -1.737  1.00 1.42  1   AJ 1 
HETATM 3818 C C33   . LIG_AJ AJ 45 .   ? -9.034  24.629  -1.393  1.00 1.44  1   AJ 1 
HETATM 3819 C C34   . LIG_AJ AJ 45 .   ? -7.954  24.817  -1.079  1.00 1.46  1   AJ 1 
HETATM 3820 C C35   . LIG_AJ AJ 45 .   ? -6.863  25.013  -0.798  1.00 1.45  1   AJ 1 
HETATM 3821 C C36   . LIG_AJ AJ 45 .   ? -5.770  25.217  -0.516  1.00 1.56  1   AJ 1 
HETATM 3822 C C37   . LIG_AJ AJ 45 .   ? -4.676  25.438  -0.233  1.00 1.53  1   AJ 1 
HETATM 3823 C C38   . LIG_AJ AJ 45 .   ? -3.581  25.683  0.070   1.00 1.48  1   AJ 1 
HETATM 3824 C C39   . LIG_AJ AJ 45 .   ? -2.483  25.945  0.404   1.00 1.55  1   AJ 1 
HETATM 3825 C C40   . LIG_AJ AJ 45 .   ? -1.404  26.199  0.749   1.00 1.72  1   AJ 1 
HETATM 3826 C C41   . LIG_AJ AJ 45 .   ? -0.329  26.446  1.102   1.00 1.49  1   AJ 1 
HETATM 3827 C C42   . LIG_AJ AJ 45 .   ? 0.714   26.676  1.435   1.00 1.56  1   AJ 1 
HETATM 3828 C C43   . LIG_AJ AJ 45 .   ? 1.767   26.841  1.730   1.00 1.33  1   AJ 1 
HETATM 3829 C C44   . LIG_AJ AJ 45 .   ? 2.943   26.930  1.998   1.00 1.39  1   AJ 1 
HETATM 3830 C C1    . LIG_BJ BJ 46 .   ? 15.727  6.580   -9.165  1.00 1.23  1   BJ 1 
HETATM 3831 C C2    . LIG_BJ BJ 46 .   ? 14.950  5.620   -8.985  1.00 1.28  1   BJ 1 
HETATM 3832 C C3    . LIG_BJ BJ 46 .   ? 13.888  5.302   -9.225  1.00 1.29  1   BJ 1 
HETATM 3833 C C4    . LIG_BJ BJ 46 .   ? 12.930  4.884   -9.580  1.00 1.31  1   BJ 1 
HETATM 3834 C C5    . LIG_BJ BJ 46 .   ? 11.922  4.623   -9.948  1.00 1.31  1   BJ 1 
HETATM 3835 C C6    . LIG_BJ BJ 46 .   ? 10.935  4.310   -10.323 1.00 1.23  1   BJ 1 
HETATM 3836 C C7    . LIG_BJ BJ 46 .   ? 9.921   4.039   -10.641 1.00 1.27  1   BJ 1 
HETATM 3837 C C8    . LIG_BJ BJ 46 .   ? 8.945   3.736   -10.971 1.00 1.36  1   BJ 1 
HETATM 3838 C C9    . LIG_BJ BJ 46 .   ? 7.972   3.432   -11.283 1.00 1.35  1   BJ 1 
HETATM 3839 C C10   . LIG_BJ BJ 46 .   ? 6.966   3.120   -11.568 1.00 1.43  1   BJ 1 
HETATM 3840 C C11   . LIG_BJ BJ 46 .   ? 5.977   2.736   -11.779 1.00 1.43  1   BJ 1 
HETATM 3841 C C12   . LIG_BJ BJ 46 .   ? 4.958   2.399   -12.004 1.00 1.57  1   BJ 1 
HETATM 3842 C C13   . LIG_BJ BJ 46 .   ? 3.996   1.893   -12.090 1.00 1.40  1   BJ 1 
HETATM 3843 C C14   . LIG_BJ BJ 46 .   ? 2.965   1.518   -12.257 1.00 1.44  1   BJ 1 
HETATM 3844 C C15   . LIG_BJ BJ 46 .   ? 2.074   0.851   -12.252 1.00 1.45  1   BJ 1 
HETATM 3845 C C16   . LIG_BJ BJ 46 .   ? 0.976   0.567   -12.533 1.00 1.47  1   BJ 1 
HETATM 3846 C C17   . LIG_BJ BJ 46 .   ? 0.166   -0.393  -12.474 1.00 1.32  1   BJ 1 
HETATM 3847 C C18   . LIG_BJ BJ 46 .   ? -1.055  -0.269  -13.096 1.00 1.35  1   BJ 1 
HETATM 3848 O O1    . LIG_BJ BJ 46 .   ? -2.001  0.132   -12.523 1.00 1.50  1   BJ 1 
HETATM 3849 O O2    . LIG_BJ BJ 46 .   ? -1.067  -0.588  -14.288 1.00 1.46  1   BJ 1 
HETATM 3850 C C19   . LIG_BJ BJ 46 .   ? -2.262  -0.681  -14.870 1.00 1.21  1   BJ 1 
HETATM 3851 C C20   . LIG_BJ BJ 46 .   ? -2.211  -0.511  -16.313 1.00 1.24  1   BJ 1 
HETATM 3852 C C21   . LIG_BJ BJ 46 .   ? -3.131  -1.484  -17.000 1.00 1.23  1   BJ 1 
HETATM 3853 O O3    . LIG_BJ BJ 46 .   ? -3.754  -2.322  -16.146 1.00 1.27  1   BJ 1 
HETATM 3854 P P1    . LIG_BJ BJ 46 .   ? -4.671  -3.460  -16.672 1.00 1.22  1   BJ 1 
HETATM 3855 O O4    . LIG_BJ BJ 46 .   ? -5.161  -4.166  -15.539 1.00 1.18  1   BJ 1 
HETATM 3856 O O5    . LIG_BJ BJ 46 .   ? -4.006  -4.198  -17.678 1.00 1.16  1   BJ 1 
HETATM 3857 O O6    . LIG_BJ BJ 46 .   ? -5.836  -2.627  -17.331 1.00 1.25  1   BJ 1 
HETATM 3858 C C22   . LIG_BJ BJ 46 .   ? -6.588  -1.794  -16.680 1.00 1.18  1   BJ 1 
HETATM 3859 C C23   . LIG_BJ BJ 46 .   ? -7.569  -1.277  -17.535 1.00 1.16  1   BJ 1 
HETATM 3860 N N1    . LIG_BJ BJ 46 .   ? -8.320  -2.135  -18.171 1.00 1.53  1   BJ 1 
HETATM 3861 O O7    . LIG_BJ BJ 46 .   ? -0.957  -0.780  -16.784 1.00 1.26  1   BJ 1 
HETATM 3862 C C24   . LIG_BJ BJ 46 .   ? -0.450  0.185   -17.440 1.00 1.28  1   BJ 1 
HETATM 3863 O O8    . LIG_BJ BJ 46 .   ? -1.046  1.214   -17.612 1.00 1.27  1   BJ 1 
HETATM 3864 C C25   . LIG_BJ BJ 46 .   ? 0.818   -0.009  -17.881 1.00 1.26  1   BJ 1 
HETATM 3865 C C26   . LIG_BJ BJ 46 .   ? 1.446   1.010   -18.479 1.00 1.36  1   BJ 1 
HETATM 3866 C C27   . LIG_BJ BJ 46 .   ? 2.712   1.111   -18.368 1.00 1.37  1   BJ 1 
HETATM 3867 C C28   . LIG_BJ BJ 46 .   ? 3.584   0.311   -17.903 1.00 1.28  1   BJ 1 
HETATM 3868 C C29   . LIG_BJ BJ 46 .   ? 4.759   0.655   -17.607 1.00 1.26  1   BJ 1 
HETATM 3869 C C30   . LIG_BJ BJ 46 .   ? 5.306   1.503   -16.991 1.00 1.28  1   BJ 1 
HETATM 3870 C C31   . LIG_BJ BJ 46 .   ? 6.373   1.874   -16.598 1.00 1.26  1   BJ 1 
HETATM 3871 C C32   . LIG_BJ BJ 46 .   ? 7.086   2.587   -16.094 1.00 1.29  1   BJ 1 
HETATM 3872 C C33   . LIG_BJ BJ 46 .   ? 8.043   3.012   -15.727 1.00 1.26  1   BJ 1 
HETATM 3873 C C34   . LIG_BJ BJ 46 .   ? 8.921   3.548   -15.348 1.00 1.26  1   BJ 1 
HETATM 3874 C C35   . LIG_BJ BJ 46 .   ? 9.959   3.881   -15.022 1.00 1.25  1   BJ 1 
HETATM 3875 C C36   . LIG_BJ BJ 46 .   ? 10.877  4.407   -14.679 1.00 1.33  1   BJ 1 
HETATM 3876 C C37   . LIG_BJ BJ 46 .   ? 11.925  4.728   -14.325 1.00 1.32  1   BJ 1 
HETATM 3877 C C38   . LIG_BJ BJ 46 .   ? 12.817  5.264   -13.912 1.00 1.25  1   BJ 1 
HETATM 3878 C C39   . LIG_BJ BJ 46 .   ? 13.819  5.603   -13.447 1.00 1.23  1   BJ 1 
HETATM 3879 C C40   . LIG_BJ BJ 46 .   ? 14.685  6.027   -12.959 1.00 1.26  1   BJ 1 
HETATM 3880 C C41   . LIG_BJ BJ 46 .   ? 15.702  6.306   -12.398 1.00 1.25  1   BJ 1 
HETATM 3881 C C1    . LIG_AK AK 47 .   ? 10.150  14.624  2.543   1.00 1.79  1   AK 1 
HETATM 3882 C C2    . LIG_AK AK 47 .   ? 10.500  15.632  2.720   1.00 1.88  1   AK 1 
HETATM 3883 C C3    . LIG_AK AK 47 .   ? 10.119  16.296  3.517   1.00 1.78  1   AK 1 
HETATM 3884 C C4    . LIG_AK AK 47 .   ? 9.562   16.492  4.416   1.00 2.01  1   AK 1 
HETATM 3885 C C5    . LIG_AK AK 47 .   ? 8.945   16.641  5.323   1.00 1.82  1   AK 1 
HETATM 3886 C C6    . LIG_AK AK 47 .   ? 8.244   16.610  6.181   1.00 1.70  1   AK 1 
HETATM 3887 C C7    . LIG_AK AK 47 .   ? 7.496   16.499  6.974   1.00 1.61  1   AK 1 
HETATM 3888 C C8    . LIG_AK AK 47 .   ? 6.686   16.320  7.694   1.00 1.61  1   AK 1 
HETATM 3889 C C9    . LIG_AK AK 47 .   ? 5.827   16.115  8.337   1.00 1.64  1   AK 1 
HETATM 3890 C C10   . LIG_AK AK 47 .   ? 4.913   15.859  8.965   1.00 1.78  1   AK 1 
HETATM 3891 C C11   . LIG_AK AK 47 .   ? 4.013   15.561  9.536   1.00 1.63  1   AK 1 
HETATM 3892 C C12   . LIG_AK AK 47 .   ? 3.090   15.257  10.114  1.00 1.71  1   AK 1 
HETATM 3893 C C13   . LIG_AK AK 47 .   ? 2.176   14.955  10.667  1.00 1.39  1   AK 1 
HETATM 3894 C C14   . LIG_AK AK 47 .   ? 1.267   14.656  11.274  1.00 1.41  1   AK 1 
HETATM 3895 C C15   . LIG_AK AK 47 .   ? 0.375   14.379  11.841  1.00 1.37  1   AK 1 
HETATM 3896 C C16   . LIG_AK AK 47 .   ? -0.506  14.167  12.567  1.00 1.40  1   AK 1 
HETATM 3897 C C17   . LIG_AK AK 47 .   ? -1.379  13.917  13.070  1.00 1.30  1   AK 1 
HETATM 3898 C C18   . LIG_AK AK 47 .   ? -2.243  13.759  14.013  1.00 1.43  1   AK 1 
HETATM 3899 O O1    . LIG_AK AK 47 .   ? -2.024  14.050  15.121  1.00 1.89  1   AK 1 
HETATM 3900 O O2    . LIG_AK AK 47 .   ? -3.284  13.297  13.593  1.00 1.82  1   AK 1 
HETATM 3901 C C19   . LIG_AK AK 47 .   ? -4.195  12.982  14.467  1.00 1.34  1   AK 1 
HETATM 3902 C C20   . LIG_AK AK 47 .   ? -5.300  12.290  13.840  1.00 1.42  1   AK 1 
HETATM 3903 C C21   . LIG_AK AK 47 .   ? -6.017  11.459  14.836  1.00 1.49  1   AK 1 
HETATM 3904 O O3    . LIG_AK AK 47 .   ? -7.226  11.915  15.075  1.00 1.47  1   AK 1 
HETATM 3905 P P1    . LIG_AK AK 47 .   ? -8.255  11.071  15.868  1.00 1.49  1   AK 1 
HETATM 3906 O O4    . LIG_AK AK 47 .   ? -9.223  11.986  16.413  1.00 1.45  1   AK 1 
HETATM 3907 O O5    . LIG_AK AK 47 .   ? -7.639  10.138  16.683  1.00 1.74  1   AK 1 
HETATM 3908 O O6    . LIG_AK AK 47 .   ? -9.004  10.351  14.690  1.00 1.69  1   AK 1 
HETATM 3909 C C22   . LIG_AK AK 47 .   ? -8.713  9.243   14.204  1.00 1.96  1   AK 1 
HETATM 3910 C C23   . LIG_AK AK 47 .   ? -9.838  8.455   13.972  1.00 2.03  1   AK 1 
HETATM 3911 N N1    . LIG_AK AK 47 .   ? -9.725  7.111   14.217  1.00 3.14  1   AK 1 
HETATM 3912 C C24   . LIG_AK AK 47 .   ? -9.212  6.890   15.534  1.00 2.42  1   AK 1 
HETATM 3913 C C25   . LIG_AK AK 47 .   ? -11.008 6.521   14.125  1.00 2.36  1   AK 1 
HETATM 3914 C C26   . LIG_AK AK 47 .   ? -8.847  6.550   13.269  1.00 2.55  1   AK 1 
HETATM 3915 O O7    . LIG_AK AK 47 .   ? -4.806  11.419  12.894  1.00 1.61  1   AK 1 
HETATM 3916 C C27   . LIG_AK AK 47 .   ? -5.217  11.585  11.710  1.00 1.68  1   AK 1 
HETATM 3917 O O8    . LIG_AK AK 47 .   ? -6.186  12.220  11.451  1.00 1.56  1   AK 1 
HETATM 3918 C C28   . LIG_AK AK 47 .   ? -4.454  11.038  10.795  1.00 1.49  1   AK 1 
HETATM 3919 C C29   . LIG_AK AK 47 .   ? -3.487  11.335  10.270  1.00 1.55  1   AK 1 
HETATM 3920 C C30   . LIG_AK AK 47 .   ? -2.583  11.348  9.626   1.00 1.60  1   AK 1 
HETATM 3921 C C31   . LIG_AK AK 47 .   ? -1.640  11.561  9.095   1.00 1.51  1   AK 1 
HETATM 3922 C C32   . LIG_AK AK 47 .   ? -0.722  11.662  8.503   1.00 1.69  1   AK 1 
HETATM 3923 C C33   . LIG_AK AK 47 .   ? 0.219   11.779  7.945   1.00 1.62  1   AK 1 
HETATM 3924 C C34   . LIG_AK AK 47 .   ? 1.167   11.875  7.367   1.00 1.61  1   AK 1 
HETATM 3925 C C35   . LIG_AK AK 47 .   ? 2.107   11.990  6.791   1.00 1.58  1   AK 1 
HETATM 3926 C C36   . LIG_AK AK 47 .   ? 3.049   12.133  6.203   1.00 1.69  1   AK 1 
HETATM 3927 C C37   . LIG_AK AK 47 .   ? 3.984   12.290  5.595   1.00 1.69  1   AK 1 
HETATM 3928 C C38   . LIG_AK AK 47 .   ? 4.929   12.446  4.979   1.00 1.55  1   AK 1 
HETATM 3929 C C39   . LIG_AK AK 47 .   ? 5.902   12.603  4.374   1.00 1.61  1   AK 1 
HETATM 3930 C C40   . LIG_AK AK 47 .   ? 6.863   12.749  3.783   1.00 1.72  1   AK 1 
HETATM 3931 C C41   . LIG_AK AK 47 .   ? 7.817   12.881  3.194   1.00 1.47  1   AK 1 
HETATM 3932 C C42   . LIG_AK AK 47 .   ? 8.727   12.970  2.616   1.00 1.41  1   AK 1 
HETATM 3933 C C43   . LIG_AK AK 47 .   ? 9.615   12.940  2.004   1.00 1.26  1   AK 1 
HETATM 3934 C C44   . LIG_AK AK 47 .   ? 10.519  12.809  1.282   1.00 1.35  1   AK 1 
HETATM 3935 C C1    . LIG_AL AL 48 .   ? 20.000  0.705   -5.943  1.00 1.93  1   AL 1 
HETATM 3936 C C2    . LIG_AL AL 48 .   ? 19.892  0.623   -4.851  1.00 2.02  1   AL 1 
HETATM 3937 C C3    . LIG_AL AL 48 .   ? 19.142  -0.029  -4.350  1.00 1.92  1   AL 1 
HETATM 3938 C C4    . LIG_AL AL 48 .   ? 18.341  -0.781  -4.590  1.00 2.24  1   AL 1 
HETATM 3939 C C5    . LIG_AL AL 48 .   ? 17.547  -1.496  -4.883  1.00 2.07  1   AL 1 
HETATM 3940 C C6    . LIG_AL AL 48 .   ? 16.752  -2.161  -5.357  1.00 1.97  1   AL 1 
HETATM 3941 C C7    . LIG_AL AL 48 .   ? 15.991  -2.779  -5.869  1.00 1.80  1   AL 1 
HETATM 3942 C C8    . LIG_AL AL 48 .   ? 15.251  -3.383  -6.457  1.00 1.89  1   AL 1 
HETATM 3943 C C9    . LIG_AL AL 48 .   ? 14.545  -3.984  -7.043  1.00 1.93  1   AL 1 
HETATM 3944 C C10   . LIG_AL AL 48 .   ? 13.821  -4.646  -7.634  1.00 2.08  1   AL 1 
HETATM 3945 C C11   . LIG_AL AL 48 .   ? 13.146  -5.331  -8.184  1.00 1.97  1   AL 1 
HETATM 3946 C C12   . LIG_AL AL 48 .   ? 12.462  -6.064  -8.699  1.00 2.14  1   AL 1 
HETATM 3947 C C13   . LIG_AL AL 48 .   ? 11.801  -6.821  -9.165  1.00 1.69  1   AL 1 
HETATM 3948 C C14   . LIG_AL AL 48 .   ? 11.105  -7.603  -9.582  1.00 1.72  1   AL 1 
HETATM 3949 C C15   . LIG_AL AL 48 .   ? 10.403  -8.349  -9.914  1.00 1.73  1   AL 1 
HETATM 3950 C C16   . LIG_AL AL 48 .   ? 9.620   -9.135  -10.168 1.00 1.73  1   AL 1 
HETATM 3951 C C17   . LIG_AL AL 48 .   ? 8.868   -9.760  -10.413 1.00 1.55  1   AL 1 
HETATM 3952 C C18   . LIG_AL AL 48 .   ? 8.015   -10.678 -10.612 1.00 1.88  1   AL 1 
HETATM 3953 O O1    . LIG_AL AL 48 .   ? 7.927   -11.609 -9.914  1.00 2.95  1   AL 1 
HETATM 3954 O O2    . LIG_AL AL 48 .   ? 7.317   -10.427 -11.570 1.00 2.27  1   AL 1 
HETATM 3955 C C19   . LIG_AL AL 48 .   ? 6.452   -11.334 -11.923 1.00 1.67  1   AL 1 
HETATM 3956 C C20   . LIG_AL AL 48 .   ? 5.747   -10.978 -13.115 1.00 1.78  1   AL 1 
HETATM 3957 C C21   . LIG_AL AL 48 .   ? 5.105   -12.194 -13.685 1.00 1.84  1   AL 1 
HETATM 3958 O O3    . LIG_AL AL 48 .   ? 3.919   -12.400 -13.170 1.00 1.94  1   AL 1 
HETATM 3959 P P1    . LIG_AL AL 48 .   ? 3.091   -13.644 -13.575 1.00 1.96  1   AL 1 
HETATM 3960 O O4    . LIG_AL AL 48 .   ? 3.949   -14.609 -14.167 1.00 1.48  1   AL 1 
HETATM 3961 O O5    . LIG_AL AL 48 .   ? 1.951   -13.231 -14.277 1.00 1.78  1   AL 1 
HETATM 3962 O O6    . LIG_AL AL 48 .   ? 2.653   -14.071 -12.172 1.00 2.27  1   AL 1 
HETATM 3963 C C22   . LIG_AL AL 48 .   ? 3.481   -14.597 -11.400 1.00 2.85  1   AL 1 
HETATM 3964 C C23   . LIG_AL AL 48 .   ? 3.045   -15.053 -10.200 1.00 3.47  1   AL 1 
HETATM 3965 N N1    . LIG_AL AL 48 .   ? 3.920   -15.804 -9.434  1.00 5.17  1   AL 1 
HETATM 3966 C C24   . LIG_AL AL 48 .   ? 3.180   -16.289 -8.346  1.00 3.90  1   AL 1 
HETATM 3967 C C25   . LIG_AL AL 48 .   ? 4.399   -16.901 -10.194 1.00 3.68  1   AL 1 
HETATM 3968 C C26   . LIG_AL AL 48 .   ? 4.995   -14.993 -9.010  1.00 4.03  1   AL 1 
HETATM 3969 O O7    . LIG_AL AL 48 .   ? 6.607   -10.533 -14.097 1.00 1.88  1   AL 1 
HETATM 3970 C C27   . LIG_AL AL 48 .   ? 6.304   -9.438  -14.661 1.00 1.80  1   AL 1 
HETATM 3971 O O8    . LIG_AL AL 48 .   ? 5.243   -8.921  -14.546 1.00 1.67  1   AL 1 
HETATM 3972 C C28   . LIG_AL AL 48 .   ? 7.273   -8.889  -15.333 1.00 1.51  1   AL 1 
HETATM 3973 C C29   . LIG_AL AL 48 .   ? 7.873   -7.903  -15.187 1.00 1.58  1   AL 1 
HETATM 3974 C C30   . LIG_AL AL 48 .   ? 8.635   -7.115  -15.074 1.00 1.54  1   AL 1 
HETATM 3975 C C31   . LIG_AL AL 48 .   ? 9.395   -6.326  -14.768 1.00 1.48  1   AL 1 
HETATM 3976 C C32   . LIG_AL AL 48 .   ? 10.198  -5.654  -14.426 1.00 1.67  1   AL 1 
HETATM 3977 C C33   . LIG_AL AL 48 .   ? 11.058  -5.064  -13.986 1.00 1.60  1   AL 1 
HETATM 3978 C C34   . LIG_AL AL 48 .   ? 11.950  -4.561  -13.515 1.00 1.60  1   AL 1 
HETATM 3979 C C35   . LIG_AL AL 48 .   ? 12.863  -4.087  -13.008 1.00 1.58  1   AL 1 
HETATM 3980 C C36   . LIG_AL AL 48 .   ? 13.777  -3.627  -12.476 1.00 1.65  1   AL 1 
HETATM 3981 C C37   . LIG_AL AL 48 .   ? 14.691  -3.150  -11.920 1.00 1.71  1   AL 1 
HETATM 3982 C C38   . LIG_AL AL 48 .   ? 15.601  -2.669  -11.344 1.00 1.59  1   AL 1 
HETATM 3983 C C39   . LIG_AL AL 48 .   ? 16.499  -2.145  -10.750 1.00 1.56  1   AL 1 
HETATM 3984 C C40   . LIG_AL AL 48 .   ? 17.364  -1.589  -10.145 1.00 1.87  1   AL 1 
HETATM 3985 C C41   . LIG_AL AL 48 .   ? 18.202  -0.983  -9.555  1.00 1.61  1   AL 1 
HETATM 3986 C C42   . LIG_AL AL 48 .   ? 18.988  -0.363  -9.021  1.00 1.56  1   AL 1 
HETATM 3987 C C43   . LIG_AL AL 48 .   ? 19.764  0.281   -8.581  1.00 1.38  1   AL 1 
HETATM 3988 C C44   . LIG_AL AL 48 .   ? 20.655  1.080   -8.330  1.00 1.43  1   AL 1 
HETATM 3989 C C1    . LIG_AM AM 49 .   ? 13.684  31.245  -5.424  1.00 1.29  1   AM 1 
HETATM 3990 C C2    . LIG_AM AM 49 .   ? 12.804  31.752  -4.648  1.00 1.31  1   AM 1 
HETATM 3991 C C3    . LIG_AM AM 49 .   ? 11.706  31.450  -4.281  1.00 1.29  1   AM 1 
HETATM 3992 C C4    . LIG_AM AM 49 .   ? 10.905  31.878  -3.474  1.00 1.32  1   AM 1 
HETATM 3993 C C5    . LIG_AM AM 49 .   ? 10.226  31.647  -2.571  1.00 1.30  1   AM 1 
HETATM 3994 C C6    . LIG_AM AM 49 .   ? 9.423   31.754  -1.795  1.00 1.27  1   AM 1 
HETATM 3995 C C7    . LIG_AM AM 49 .   ? 8.541   31.600  -1.131  1.00 1.25  1   AM 1 
HETATM 3996 C C8    . LIG_AM AM 49 .   ? 7.432   31.717  -0.923  1.00 1.27  1   AM 1 
HETATM 3997 C C9    . LIG_AM AM 49 .   ? 6.369   31.689  -0.728  1.00 1.26  1   AM 1 
HETATM 3998 C C10   . LIG_AM AM 49 .   ? 5.224   31.745  -0.626  1.00 1.29  1   AM 1 
HETATM 3999 C C11   . LIG_AM AM 49 .   ? 4.122   31.660  -0.779  1.00 1.31  1   AM 1 
HETATM 4000 C C12   . LIG_AM AM 49 .   ? 2.965   31.881  -0.775  1.00 1.37  1   AM 1 
HETATM 4001 C C13   . LIG_AM AM 49 .   ? 1.885   31.787  -1.228  1.00 1.30  1   AM 1 
HETATM 4002 C C14   . LIG_AM AM 49 .   ? 0.745   32.216  -1.234  1.00 1.29  1   AM 1 
HETATM 4003 C C15   . LIG_AM AM 49 .   ? -0.299  32.122  -1.863  1.00 1.29  1   AM 1 
HETATM 4004 C C16   . LIG_AM AM 49 .   ? -1.482  32.625  -1.792  1.00 1.28  1   AM 1 
HETATM 4005 C C17   . LIG_AM AM 49 .   ? -2.460  32.422  -2.621  1.00 1.20  1   AM 1 
HETATM 4006 C C18   . LIG_AM AM 49 .   ? -3.705  32.937  -2.489  1.00 1.22  1   AM 1 
HETATM 4007 O O1    . LIG_AM AM 49 .   ? -4.218  33.527  -3.366  1.00 1.35  1   AM 1 
HETATM 4008 O O2    . LIG_AM AM 49 .   ? -4.252  32.692  -1.417  1.00 1.32  1   AM 1 
HETATM 4009 C C19   . LIG_AM AM 49 .   ? -5.494  33.139  -1.240  1.00 1.16  1   AM 1 
HETATM 4010 C C20   . LIG_AM AM 49 .   ? -5.884  33.038  0.174   1.00 1.22  1   AM 1 
HETATM 4011 C C21   . LIG_AM AM 49 .   ? -7.183  33.715  0.435   1.00 1.22  1   AM 1 
HETATM 4012 O O3    . LIG_AM AM 49 .   ? -8.230  32.892  0.262   1.00 1.22  1   AM 1 
HETATM 4013 P P1    . LIG_AM AM 49 .   ? -9.654  33.339  0.664   1.00 1.21  1   AM 1 
HETATM 4014 O O4    . LIG_AM AM 49 .   ? -10.549 32.337  0.193   1.00 1.13  1   AM 1 
HETATM 4015 O O5    . LIG_AM AM 49 .   ? -9.884  34.678  0.304   1.00 1.10  1   AM 1 
HETATM 4016 O O6    . LIG_AM AM 49 .   ? -9.544  33.270  2.211   1.00 1.17  1   AM 1 
HETATM 4017 C C22   . LIG_AM AM 49 .   ? -9.992  32.346  2.948   1.00 1.18  1   AM 1 
HETATM 4018 C C23   . LIG_AM AM 49 .   ? -9.861  32.596  4.326   1.00 1.14  1   AM 1 
HETATM 4019 N N1    . LIG_AM AM 49 .   ? -10.006 31.525  5.174   1.00 1.47  1   AM 1 
HETATM 4020 C C24   . LIG_AM AM 49 .   ? -8.911  30.634  4.985   1.00 1.17  1   AM 1 
HETATM 4021 C C25   . LIG_AM AM 49 .   ? -11.221 30.830  4.914   1.00 1.22  1   AM 1 
HETATM 4022 C C26   . LIG_AM AM 49 .   ? -10.009 31.988  6.504   1.00 1.19  1   AM 1 
HETATM 4023 O O7    . LIG_AM AM 49 .   ? -4.970  33.691  0.950   1.00 1.26  1   AM 1 
HETATM 4024 C C27   . LIG_AM AM 49 .   ? -4.390  33.017  1.841   1.00 1.24  1   AM 1 
HETATM 4025 O O8    . LIG_AM AM 49 .   ? -4.785  31.927  2.169   1.00 1.24  1   AM 1 
HETATM 4026 C C28   . LIG_AM AM 49 .   ? -3.311  33.601  2.355   1.00 1.22  1   AM 1 
HETATM 4027 C C29   . LIG_AM AM 49 .   ? -2.286  32.954  2.716   1.00 1.29  1   AM 1 
HETATM 4028 C C30   . LIG_AM AM 49 .   ? -1.152  33.240  2.976   1.00 1.27  1   AM 1 
HETATM 4029 C C31   . LIG_AM AM 49 .   ? -0.089  32.740  3.229   1.00 1.27  1   AM 1 
HETATM 4030 C C32   . LIG_AM AM 49 .   ? 1.046   32.900  3.427   1.00 1.30  1   AM 1 
HETATM 4031 C C33   . LIG_AM AM 49 .   ? 2.101   32.460  3.567   1.00 1.31  1   AM 1 
HETATM 4032 C C34   . LIG_AM AM 49 .   ? 3.184   32.230  3.642   1.00 1.22  1   AM 1 
HETATM 4033 C C35   . LIG_AM AM 49 .   ? 4.217   31.805  3.676   1.00 1.25  1   AM 1 
HETATM 4034 C C36   . LIG_AM AM 49 .   ? 5.279   31.490  3.647   1.00 1.24  1   AM 1 
HETATM 4035 C C37   . LIG_AM AM 49 .   ? 6.343   31.172  3.590   1.00 1.26  1   AM 1 
HETATM 4036 C C38   . LIG_AM AM 49 .   ? 7.434   30.980  3.496   1.00 1.19  1   AM 1 
HETATM 4037 C C39   . LIG_AM AM 49 .   ? 8.531   30.798  3.400   1.00 1.19  1   AM 1 
HETATM 4038 C C40   . LIG_AM AM 49 .   ? 9.625   30.661  3.317   1.00 1.27  1   AM 1 
HETATM 4039 C C41   . LIG_AM AM 49 .   ? 10.738  30.468  3.276   1.00 1.20  1   AM 1 
HETATM 4040 C C42   . LIG_AM AM 49 .   ? 11.853  30.286  3.290   1.00 1.26  1   AM 1 
HETATM 4041 C C43   . LIG_AM AM 49 .   ? 12.948  30.047  3.362   1.00 1.16  1   AM 1 
HETATM 4042 C C44   . LIG_AM AM 49 .   ? 14.116  29.835  3.480   1.00 1.18  1   AM 1 
HETATM 4043 C C1    . LIG_AN AN 50 .   ? 3.905   22.830  2.268   1.00 1.86  1   AN 1 
HETATM 4044 C C2    . LIG_AN AN 50 .   ? 3.544   23.515  2.549   1.00 1.98  1   AN 1 
HETATM 4045 C C3    . LIG_AN AN 50 .   ? 2.587   23.644  3.059   1.00 1.82  1   AN 1 
HETATM 4046 C C4    . LIG_AN AN 50 .   ? 1.658   23.453  3.514   1.00 2.14  1   AN 1 
HETATM 4047 C C5    . LIG_AN AN 50 .   ? 0.665   23.249  3.935   1.00 1.86  1   AN 1 
HETATM 4048 C C6    . LIG_AN AN 50 .   ? -0.320  22.917  4.231   1.00 1.70  1   AN 1 
HETATM 4049 C C7    . LIG_AN AN 50 .   ? -1.334  22.592  4.384   1.00 1.60  1   AN 1 
HETATM 4050 C C8    . LIG_AN AN 50 .   ? -2.384  22.273  4.311   1.00 1.57  1   AN 1 
HETATM 4051 C C9    . LIG_AN AN 50 .   ? -3.426  22.039  4.114   1.00 1.63  1   AN 1 
HETATM 4052 C C10   . LIG_AN AN 50 .   ? -4.519  21.843  3.816   1.00 1.67  1   AN 1 
HETATM 4053 C C11   . LIG_AN AN 50 .   ? -5.566  21.721  3.456   1.00 1.57  1   AN 1 
HETATM 4054 C C12   . LIG_AN AN 50 .   ? -6.629  21.604  3.051   1.00 1.62  1   AN 1 
HETATM 4055 C C13   . LIG_AN AN 50 .   ? -7.667  21.540  2.609   1.00 1.31  1   AN 1 
HETATM 4056 C C14   . LIG_AN AN 50 .   ? -8.734  21.396  2.190   1.00 1.33  1   AN 1 
HETATM 4057 C C15   . LIG_AN AN 50 .   ? -9.750  21.317  1.737   1.00 1.30  1   AN 1 
HETATM 4058 C C16   . LIG_AN AN 50 .   ? -10.830 21.074  1.334   1.00 1.32  1   AN 1 
HETATM 4059 C C17   . LIG_AN AN 50 .   ? -11.838 21.078  0.880   1.00 1.24  1   AN 1 
HETATM 4060 C C18   . LIG_AN AN 50 .   ? -12.997 20.550  0.637   1.00 1.28  1   AN 1 
HETATM 4061 O O1    . LIG_AN AN 50 .   ? -13.916 21.229  0.397   1.00 1.57  1   AN 1 
HETATM 4062 O O2    . LIG_AN AN 50 .   ? -13.035 19.320  0.673   1.00 1.52  1   AN 1 
HETATM 4063 C C19   . LIG_AN AN 50 .   ? -14.215 18.750  0.559   1.00 1.23  1   AN 1 
HETATM 4064 C C20   . LIG_AN AN 50 .   ? -14.138 17.306  0.534   1.00 1.26  1   AN 1 
HETATM 4065 C C21   . LIG_AN AN 50 .   ? -15.304 16.721  1.238   1.00 1.29  1   AN 1 
HETATM 4066 O O3    . LIG_AN AN 50 .   ? -16.317 16.549  0.442   1.00 1.27  1   AN 1 
HETATM 4067 P P1    . LIG_AN AN 50 .   ? -17.540 15.743  0.936   1.00 1.19  1   AN 1 
HETATM 4068 O O4    . LIG_AN AN 50 .   ? -17.398 14.429  0.451   1.00 1.16  1   AN 1 
HETATM 4069 O O5    . LIG_AN AN 50 .   ? -17.786 15.952  2.290   1.00 1.15  1   AN 1 
HETATM 4070 O O6    . LIG_AN AN 50 .   ? -18.606 16.521  0.169   1.00 1.26  1   AN 1 
HETATM 4071 C C22   . LIG_AN AN 50 .   ? -18.808 16.491  -1.060  1.00 1.28  1   AN 1 
HETATM 4072 C C23   . LIG_AN AN 50 .   ? -19.846 17.351  -1.404  1.00 1.27  1   AN 1 
HETATM 4073 N N1    . LIG_AN AN 50 .   ? -20.634 16.958  -2.462  1.00 1.66  1   AN 1 
HETATM 4074 C C24   . LIG_AN AN 50 .   ? -21.672 17.923  -2.593  1.00 1.27  1   AN 1 
HETATM 4075 C C25   . LIG_AN AN 50 .   ? -21.207 15.678  -2.179  1.00 1.33  1   AN 1 
HETATM 4076 C C26   . LIG_AN AN 50 .   ? -19.857 16.896  -3.639  1.00 1.37  1   AN 1 
HETATM 4077 O O7    . LIG_AN AN 50 .   ? -13.045 16.878  1.254   1.00 1.44  1   AN 1 
HETATM 4078 C C27   . LIG_AN AN 50 .   ? -12.325 16.007  0.714   1.00 1.45  1   AN 1 
HETATM 4079 O O8    . LIG_AN AN 50 .   ? -12.663 15.376  -0.224  1.00 1.40  1   AN 1 
HETATM 4080 C C28   . LIG_AN AN 50 .   ? -11.170 15.906  1.274   1.00 1.35  1   AN 1 
HETATM 4081 C C29   . LIG_AN AN 50 .   ? -10.153 15.791  1.483   1.00 1.41  1   AN 1 
HETATM 4082 C C30   . LIG_AN AN 50 .   ? -9.077  15.833  1.868   1.00 1.42  1   AN 1 
HETATM 4083 C C31   . LIG_AN AN 50 .   ? -8.030  15.966  2.190   1.00 1.38  1   AN 1 
HETATM 4084 C C32   . LIG_AN AN 50 .   ? -6.976  16.185  2.518   1.00 1.50  1   AN 1 
HETATM 4085 C C33   . LIG_AN AN 50 .   ? -5.931  16.489  2.800   1.00 1.49  1   AN 1 
HETATM 4086 C C34   . LIG_AN AN 50 .   ? -4.867  16.825  3.029   1.00 1.51  1   AN 1 
HETATM 4087 C C35   . LIG_AN AN 50 .   ? -3.808  17.198  3.196   1.00 1.50  1   AN 1 
HETATM 4088 C C36   . LIG_AN AN 50 .   ? -2.750  17.621  3.300   1.00 1.57  1   AN 1 
HETATM 4089 C C37   . LIG_AN AN 50 .   ? -1.691  18.078  3.336   1.00 1.59  1   AN 1 
HETATM 4090 C C38   . LIG_AN AN 50 .   ? -0.640  18.562  3.289   1.00 1.51  1   AN 1 
HETATM 4091 C C39   . LIG_AN AN 50 .   ? 0.402   19.081  3.191   1.00 1.53  1   AN 1 
HETATM 4092 C C40   . LIG_AN AN 50 .   ? 1.412   19.617  3.033   1.00 1.67  1   AN 1 
HETATM 4093 C C41   . LIG_AN AN 50 .   ? 2.404   20.159  2.817   1.00 1.46  1   AN 1 
HETATM 4094 C C42   . LIG_AN AN 50 .   ? 3.343   20.692  2.543   1.00 1.43  1   AN 1 
HETATM 4095 C C43   . LIG_AN AN 50 .   ? 4.282   21.167  2.213   1.00 1.28  1   AN 1 
HETATM 4096 C C44   . LIG_AN AN 50 .   ? 5.329   21.584  1.757   1.00 1.34  1   AN 1 
HETATM 4097 C C1    . LIG_AO AO 51 .   ? 6.520   21.438  -9.811  1.00 1.76  1   AO 1 
HETATM 4098 C C2    . LIG_AO AO 51 .   ? 5.995   20.926  -9.988  1.00 1.89  1   AO 1 
HETATM 4099 C C3    . LIG_AO AO 51 .   ? 5.133   20.609  -10.544 1.00 1.80  1   AO 1 
HETATM 4100 C C4    . LIG_AO AO 51 .   ? 4.270   20.351  -11.105 1.00 2.10  1   AO 1 
HETATM 4101 C C5    . LIG_AO AO 51 .   ? 3.371   20.112  -11.666 1.00 1.85  1   AO 1 
HETATM 4102 C C6    . LIG_AO AO 51 .   ? 2.454   19.881  -12.182 1.00 1.74  1   AO 1 
HETATM 4103 C C7    . LIG_AO AO 51 .   ? 1.519   19.628  -12.654 1.00 1.60  1   AO 1 
HETATM 4104 C C8    . LIG_AO AO 51 .   ? 0.558   19.370  -13.111 1.00 1.56  1   AO 1 
HETATM 4105 C C9    . LIG_AO AO 51 .   ? -0.394  19.113  -13.545 1.00 1.60  1   AO 1 
HETATM 4106 C C10   . LIG_AO AO 51 .   ? -1.411  18.880  -14.005 1.00 1.65  1   AO 1 
HETATM 4107 C C11   . LIG_AO AO 51 .   ? -2.395  18.672  -14.463 1.00 1.59  1   AO 1 
HETATM 4108 C C12   . LIG_AO AO 51 .   ? -3.400  18.492  -14.942 1.00 1.61  1   AO 1 
HETATM 4109 C C13   . LIG_AO AO 51 .   ? -4.388  18.314  -15.396 1.00 1.33  1   AO 1 
HETATM 4110 C C14   . LIG_AO AO 51 .   ? -5.401  18.216  -15.903 1.00 1.31  1   AO 1 
HETATM 4111 C C15   . LIG_AO AO 51 .   ? -6.381  18.066  -16.352 1.00 1.30  1   AO 1 
HETATM 4112 C C16   . LIG_AO AO 51 .   ? -7.405  18.026  -16.909 1.00 1.29  1   AO 1 
HETATM 4113 C C17   . LIG_AO AO 51 .   ? -8.360  17.740  -17.302 1.00 1.24  1   AO 1 
HETATM 4114 C C18   . LIG_AO AO 51 .   ? -9.412  17.883  -18.041 1.00 1.28  1   AO 1 
HETATM 4115 O O1    . LIG_AO AO 51 .   ? -10.148 16.991  -18.229 1.00 1.56  1   AO 1 
HETATM 4116 O O2    . LIG_AO AO 51 .   ? -9.537  19.000  -18.487 1.00 1.51  1   AO 1 
HETATM 4117 C C19   . LIG_AO AO 51 .   ? -10.515 19.204  -19.332 1.00 1.25  1   AO 1 
HETATM 4118 C C20   . LIG_AO AO 51 .   ? -10.633 20.600  -19.696 1.00 1.27  1   AO 1 
HETATM 4119 C C21   . LIG_AO AO 51 .   ? -11.102 20.724  -21.099 1.00 1.29  1   AO 1 
HETATM 4120 O O3    . LIG_AO AO 51 .   ? -12.324 20.285  -21.295 1.00 1.27  1   AO 1 
HETATM 4121 P P1    . LIG_AO AO 51 .   ? -13.010 20.671  -22.626 1.00 1.23  1   AO 1 
HETATM 4122 O O4    . LIG_AO AO 51 .   ? -14.372 20.227  -22.535 1.00 1.19  1   AO 1 
HETATM 4123 O O5    . LIG_AO AO 51 .   ? -12.218 20.274  -23.693 1.00 1.17  1   AO 1 
HETATM 4124 O O6    . LIG_AO AO 51 .   ? -12.950 22.189  -22.351 1.00 1.30  1   AO 1 
HETATM 4125 C C22   . LIG_AO AO 51 .   ? -13.006 23.194  -23.036 1.00 1.30  1   AO 1 
HETATM 4126 C C23   . LIG_AO AO 51 .   ? -13.395 24.360  -22.285 1.00 1.30  1   AO 1 
HETATM 4127 N N1    . LIG_AO AO 51 .   ? -12.442 25.115  -21.611 1.00 1.86  1   AO 1 
HETATM 4128 C C24   . LIG_AO AO 51 .   ? -11.306 25.302  -22.430 1.00 1.39  1   AO 1 
HETATM 4129 C C25   . LIG_AO AO 51 .   ? -13.001 26.337  -21.252 1.00 1.44  1   AO 1 
HETATM 4130 C C26   . LIG_AO AO 51 .   ? -12.047 24.490  -20.404 1.00 1.47  1   AO 1 
HETATM 4131 O O7    . LIG_AO AO 51 .   ? -9.400  21.201  -19.678 1.00 1.44  1   AO 1 
HETATM 4132 C C27   . LIG_AO AO 51 .   ? -9.283  22.200  -18.925 1.00 1.44  1   AO 1 
HETATM 4133 O O8    . LIG_AO AO 51 .   ? -10.213 22.696  -18.387 1.00 1.41  1   AO 1 
HETATM 4134 C C28   . LIG_AO AO 51 .   ? -8.072  22.588  -18.734 1.00 1.33  1   AO 1 
HETATM 4135 C C29   . LIG_AO AO 51 .   ? -7.263  23.058  -18.207 1.00 1.39  1   AO 1 
HETATM 4136 C C30   . LIG_AO AO 51 .   ? -6.246  23.394  -17.802 1.00 1.37  1   AO 1 
HETATM 4137 C C31   . LIG_AO AO 51 .   ? -5.276  23.670  -17.328 1.00 1.34  1   AO 1 
HETATM 4138 C C32   . LIG_AO AO 51 .   ? -4.257  23.873  -16.871 1.00 1.49  1   AO 1 
HETATM 4139 C C33   . LIG_AO AO 51 .   ? -3.246  23.998  -16.374 1.00 1.49  1   AO 1 
HETATM 4140 C C34   . LIG_AO AO 51 .   ? -2.231  24.058  -15.843 1.00 1.48  1   AO 1 
HETATM 4141 C C35   . LIG_AO AO 51 .   ? -1.234  24.076  -15.274 1.00 1.50  1   AO 1 
HETATM 4142 C C36   . LIG_AO AO 51 .   ? -0.247  24.029  -14.674 1.00 1.60  1   AO 1 
HETATM 4143 C C37   . LIG_AO AO 51 .   ? 0.726   23.952  -14.046 1.00 1.61  1   AO 1 
HETATM 4144 C C38   . LIG_AO AO 51 .   ? 1.698   23.858  -13.401 1.00 1.54  1   AO 1 
HETATM 4145 C C39   . LIG_AO AO 51 .   ? 2.669   23.728  -12.753 1.00 1.58  1   AO 1 
HETATM 4146 C C40   . LIG_AO AO 51 .   ? 3.617   23.563  -12.122 1.00 1.70  1   AO 1 
HETATM 4147 C C41   . LIG_AO AO 51 .   ? 4.558   23.355  -11.482 1.00 1.48  1   AO 1 
HETATM 4148 C C42   . LIG_AO AO 51 .   ? 5.456   23.106  -10.869 1.00 1.50  1   AO 1 
HETATM 4149 C C43   . LIG_AO AO 51 .   ? 6.369   22.859  -10.294 1.00 1.30  1   AO 1 
HETATM 4150 C C44   . LIG_AO AO 51 .   ? 7.401   22.661  -9.664  1.00 1.39  1   AO 1 
HETATM 4151 C C1    . LIG_AP AP 52 .   ? 25.660  4.837   5.699   1.00 1.88  1   AP 1 
HETATM 4152 C C2    . LIG_AP AP 52 .   ? 25.801  3.835   6.000   1.00 2.13  1   AP 1 
HETATM 4153 C C3    . LIG_AP AP 52 .   ? 25.289  2.996   6.561   1.00 2.02  1   AP 1 
HETATM 4154 C C4    . LIG_AP AP 52 .   ? 24.586  2.370   7.132   1.00 2.33  1   AP 1 
HETATM 4155 C C5    . LIG_AP AP 52 .   ? 23.823  1.756   7.707   1.00 1.98  1   AP 1 
HETATM 4156 C C6    . LIG_AP AP 52 .   ? 23.016  1.181   8.267   1.00 1.80  1   AP 1 
HETATM 4157 C C7    . LIG_AP AP 52 .   ? 22.213  0.625   8.815   1.00 1.73  1   AP 1 
HETATM 4158 C C8    . LIG_AP AP 52 .   ? 21.413  0.069   9.370   1.00 1.81  1   AP 1 
HETATM 4159 C C9    . LIG_AP AP 52 .   ? 20.624  -0.475  9.934   1.00 1.87  1   AP 1 
HETATM 4160 C C10   . LIG_AP AP 52 .   ? 19.806  -1.039  10.529  1.00 1.96  1   AP 1 
HETATM 4161 C C11   . LIG_AP AP 52 .   ? 19.032  -1.586  11.113  1.00 1.87  1   AP 1 
HETATM 4162 C C12   . LIG_AP AP 52 .   ? 18.236  -2.130  11.741  1.00 2.10  1   AP 1 
HETATM 4163 C C13   . LIG_AP AP 52 .   ? 17.492  -2.712  12.333  1.00 1.69  1   AP 1 
HETATM 4164 C C14   . LIG_AP AP 52 .   ? 16.725  -3.251  12.984  1.00 1.84  1   AP 1 
HETATM 4165 C C15   . LIG_AP AP 52 .   ? 16.024  -3.868  13.578  1.00 1.80  1   AP 1 
HETATM 4166 C C16   . LIG_AP AP 52 .   ? 15.280  -4.357  14.322  1.00 2.04  1   AP 1 
HETATM 4167 C C17   . LIG_AP AP 52 .   ? 14.632  -5.067  14.876  1.00 1.76  1   AP 1 
HETATM 4168 C C18   . LIG_AP AP 52 .   ? 13.820  -5.203  15.851  1.00 2.18  1   AP 1 
HETATM 4169 O O1    . LIG_AP AP 52 .   ? 13.298  -6.222  16.097  1.00 2.87  1   AP 1 
HETATM 4170 O O2    . LIG_AP AP 52 .   ? 13.655  -4.150  16.464  1.00 2.40  1   AP 1 
HETATM 4171 C C19   . LIG_AP AP 52 .   ? 12.839  -4.154  17.488  1.00 1.73  1   AP 1 
HETATM 4172 C C20   . LIG_AP AP 52 .   ? 13.292  -3.270  18.540  1.00 1.89  1   AP 1 
HETATM 4173 C C21   . LIG_AP AP 52 .   ? 12.419  -3.340  19.722  1.00 1.98  1   AP 1 
HETATM 4174 O O3    . LIG_AP AP 52 .   ? 11.740  -4.453  19.719  1.00 2.33  1   AP 1 
HETATM 4175 P P1    . LIG_AP AP 52 .   ? 12.264  -5.725  20.466  1.00 3.04  1   AP 1 
HETATM 4176 O O4    . LIG_AP AP 52 .   ? 12.725  -6.662  19.496  1.00 2.44  1   AP 1 
HETATM 4177 O O5    . LIG_AP AP 52 .   ? 13.057  -5.408  21.544  1.00 2.35  1   AP 1 
HETATM 4178 O O6    . LIG_AP AP 52 .   ? 10.887  -6.257  20.907  1.00 2.89  1   AP 1 
HETATM 4179 C C22   . LIG_AP AP 52 .   ? 10.201  -5.717  21.801  1.00 2.93  1   AP 1 
HETATM 4180 C C23   . LIG_AP AP 52 .   ? 8.883   -6.055  21.711  1.00 3.32  1   AP 1 
HETATM 4181 N N1    . LIG_AP AP 52 .   ? 8.171   -6.160  22.884  1.00 5.19  1   AP 1 
HETATM 4182 C C24   . LIG_AP AP 52 .   ? 8.701   -5.311  23.891  1.00 3.75  1   AP 1 
HETATM 4183 C C25   . LIG_AP AP 52 .   ? 8.201   -7.516  23.324  1.00 4.07  1   AP 1 
HETATM 4184 C C26   . LIG_AP AP 52 .   ? 6.841   -5.788  22.603  1.00 3.97  1   AP 1 
HETATM 4185 O O7    . LIG_AP AP 52 .   ? 13.218  -1.980  18.046  1.00 2.00  1   AP 1 
HETATM 4186 C C27   . LIG_AP AP 52 .   ? 14.329  -1.477  17.821  1.00 1.96  1   AP 1 
HETATM 4187 O O8    . LIG_AP AP 52 .   ? 15.330  -2.042  18.166  1.00 1.71  1   AP 1 
HETATM 4188 C C28   . LIG_AP AP 52 .   ? 14.381  -0.366  17.149  1.00 1.59  1   AP 1 
HETATM 4189 C C29   . LIG_AP AP 52 .   ? 15.148  0.003   16.324  1.00 1.69  1   AP 1 
HETATM 4190 C C30   . LIG_AP AP 52 .   ? 15.680  0.544   15.516  1.00 1.52  1   AP 1 
HETATM 4191 C C31   . LIG_AP AP 52 .   ? 16.322  0.977   14.662  1.00 1.54  1   AP 1 
HETATM 4192 C C32   . LIG_AP AP 52 .   ? 16.909  1.452   13.842  1.00 1.64  1   AP 1 
HETATM 4193 C C33   . LIG_AP AP 52 .   ? 17.539  1.915   13.006  1.00 1.56  1   AP 1 
HETATM 4194 C C34   . LIG_AP AP 52 .   ? 18.148  2.415   12.191  1.00 1.55  1   AP 1 
HETATM 4195 C C35   . LIG_AP AP 52 .   ? 18.757  2.940   11.381  1.00 1.56  1   AP 1 
HETATM 4196 C C36   . LIG_AP AP 52 .   ? 19.382  3.474   10.586  1.00 1.60  1   AP 1 
HETATM 4197 C C37   . LIG_AP AP 52 .   ? 20.035  4.019   9.800   1.00 1.60  1   AP 1 
HETATM 4198 C C38   . LIG_AP AP 52 .   ? 20.713  4.574   9.047   1.00 1.52  1   AP 1 
HETATM 4199 C C39   . LIG_AP AP 52 .   ? 21.453  5.122   8.319   1.00 1.62  1   AP 1 
HETATM 4200 C C40   . LIG_AP AP 52 .   ? 22.228  5.626   7.619   1.00 1.82  1   AP 1 
HETATM 4201 C C41   . LIG_AP AP 52 .   ? 23.034  6.089   6.926   1.00 1.54  1   AP 1 
HETATM 4202 C C42   . LIG_AP AP 52 .   ? 23.817  6.496   6.267   1.00 1.58  1   AP 1 
HETATM 4203 C C43   . LIG_AP AP 52 .   ? 24.549  6.969   5.583   1.00 1.37  1   AP 1 
HETATM 4204 C C44   . LIG_AP AP 52 .   ? 25.296  7.535   4.848   1.00 1.46  1   AP 1 
HETATM 4205 C C1    . LIG_AQ AQ 53 .   ? 9.155   16.478  -0.143  1.00 1.69  1   AQ 1 
HETATM 4206 C C2    . LIG_AQ AQ 53 .   ? 9.053   17.419  0.127   1.00 1.84  1   AQ 1 
HETATM 4207 C C3    . LIG_AQ AQ 53 .   ? 8.302   17.793  0.846   1.00 1.74  1   AQ 1 
HETATM 4208 C C4    . LIG_AQ AQ 53 .   ? 7.518   17.666  1.586   1.00 2.03  1   AQ 1 
HETATM 4209 C C5    . LIG_AQ AQ 53 .   ? 6.680   17.563  2.313   1.00 1.90  1   AQ 1 
HETATM 4210 C C6    . LIG_AQ AQ 53 .   ? 5.837   17.373  3.000   1.00 1.71  1   AQ 1 
HETATM 4211 C C7    . LIG_AQ AQ 53 .   ? 4.998   17.183  3.684   1.00 1.59  1   AQ 1 
HETATM 4212 C C8    . LIG_AQ AQ 53 .   ? 4.139   16.972  4.354   1.00 1.59  1   AQ 1 
HETATM 4213 C C9    . LIG_AQ AQ 53 .   ? 3.293   16.786  5.022   1.00 1.64  1   AQ 1 
HETATM 4214 C C10   . LIG_AQ AQ 53 .   ? 2.379   16.597  5.693   1.00 1.73  1   AQ 1 
HETATM 4215 C C11   . LIG_AQ AQ 53 .   ? 1.462   16.500  6.316   1.00 1.64  1   AQ 1 
HETATM 4216 C C12   . LIG_AQ AQ 53 .   ? 0.497   16.408  6.934   1.00 1.67  1   AQ 1 
HETATM 4217 C C13   . LIG_AQ AQ 53 .   ? -0.473  16.430  7.490   1.00 1.38  1   AQ 1 
HETATM 4218 C C14   . LIG_AQ AQ 53 .   ? -1.481  16.409  8.048   1.00 1.39  1   AQ 1 
HETATM 4219 C C15   . LIG_AQ AQ 53 .   ? -2.462  16.497  8.539   1.00 1.35  1   AQ 1 
HETATM 4220 C C16   . LIG_AQ AQ 53 .   ? -3.480  16.459  9.104   1.00 1.36  1   AQ 1 
HETATM 4221 C C17   . LIG_AQ AQ 53 .   ? -4.488  16.584  9.470   1.00 1.27  1   AQ 1 
HETATM 4222 C C18   . LIG_AQ AQ 53 .   ? -5.518  16.279  10.201  1.00 1.36  1   AQ 1 
HETATM 4223 O O1    . LIG_AQ AQ 53 .   ? -5.457  16.197  11.359  1.00 1.79  1   AQ 1 
HETATM 4224 O O2    . LIG_AQ AQ 53 .   ? -6.516  16.057  9.524   1.00 1.64  1   AQ 1 
HETATM 4225 C C19   . LIG_AQ AQ 53 .   ? -7.571  15.548  10.107  1.00 1.24  1   AQ 1 
HETATM 4226 C C20   . LIG_AQ AQ 53 .   ? -8.448  14.962  9.112   1.00 1.30  1   AQ 1 
HETATM 4227 C C21   . LIG_AQ AQ 53 .   ? -9.743  14.554  9.709   1.00 1.33  1   AQ 1 
HETATM 4228 O O3    . LIG_AQ AQ 53 .   ? -10.668 15.419  9.329   1.00 1.31  1   AQ 1 
HETATM 4229 P P1    . LIG_AQ AQ 53 .   ? -12.201 15.189  9.413   1.00 1.24  1   AQ 1 
HETATM 4230 O O4    . LIG_AQ AQ 53 .   ? -12.716 16.130  10.334  1.00 1.20  1   AQ 1 
HETATM 4231 O O5    . LIG_AQ AQ 53 .   ? -12.542 13.839  9.528   1.00 1.20  1   AQ 1 
HETATM 4232 O O6    . LIG_AQ AQ 53 .   ? -12.555 15.618  7.958   1.00 1.35  1   AQ 1 
HETATM 4233 C C22   . LIG_AQ AQ 53 .   ? -12.482 16.814  7.573   1.00 1.35  1   AQ 1 
HETATM 4234 C C23   . LIG_AQ AQ 53 .   ? -12.319 17.008  6.214   1.00 1.35  1   AQ 1 
HETATM 4235 N N1    . LIG_AQ AQ 53 .   ? -11.485 18.035  5.789   1.00 1.98  1   AQ 1 
HETATM 4236 C C24   . LIG_AQ AQ 53 .   ? -11.127 18.894  6.850   1.00 1.33  1   AQ 1 
HETATM 4237 C C25   . LIG_AQ AQ 53 .   ? -10.328 17.442  5.256   1.00 1.41  1   AQ 1 
HETATM 4238 C C26   . LIG_AQ AQ 53 .   ? -12.137 18.763  4.807   1.00 1.39  1   AQ 1 
HETATM 4239 O O7    . LIG_AQ AQ 53 .   ? -7.846  13.825  8.598   1.00 1.49  1   AQ 1 
HETATM 4240 C C27   . LIG_AQ AQ 53 .   ? -7.627  13.843  7.352   1.00 1.56  1   AQ 1 
HETATM 4241 O O8    . LIG_AQ AQ 53 .   ? -8.206  14.591  6.624   1.00 1.47  1   AQ 1 
HETATM 4242 C C28   . LIG_AQ AQ 53 .   ? -6.674  13.056  6.914   1.00 1.41  1   AQ 1 
HETATM 4243 C C29   . LIG_AQ AQ 53 .   ? -5.770  13.213  6.199   1.00 1.46  1   AQ 1 
HETATM 4244 C C30   . LIG_AQ AQ 53 .   ? -4.782  13.144  5.690   1.00 1.49  1   AQ 1 
HETATM 4245 C C31   . LIG_AQ AQ 53 .   ? -3.796  13.295  5.131   1.00 1.44  1   AQ 1 
HETATM 4246 C C32   . LIG_AQ AQ 53 .   ? -2.787  13.362  4.664   1.00 1.56  1   AQ 1 
HETATM 4247 C C33   . LIG_AQ AQ 53 .   ? -1.773  13.522  4.168   1.00 1.55  1   AQ 1 
HETATM 4248 C C34   . LIG_AQ AQ 53 .   ? -0.737  13.667  3.714   1.00 1.56  1   AQ 1 
HETATM 4249 C C35   . LIG_AQ AQ 53 .   ? 0.301   13.814  3.251   1.00 1.52  1   AQ 1 
HETATM 4250 C C36   . LIG_AQ AQ 53 .   ? 1.362   13.943  2.788   1.00 1.62  1   AQ 1 
HETATM 4251 C C37   . LIG_AQ AQ 53 .   ? 2.420   14.070  2.318   1.00 1.64  1   AQ 1 
HETATM 4252 C C38   . LIG_AQ AQ 53 .   ? 3.482   14.188  1.821   1.00 1.51  1   AQ 1 
HETATM 4253 C C39   . LIG_AQ AQ 53 .   ? 4.544   14.326  1.318   1.00 1.55  1   AQ 1 
HETATM 4254 C C40   . LIG_AQ AQ 53 .   ? 5.586   14.467  0.830   1.00 1.67  1   AQ 1 
HETATM 4255 C C41   . LIG_AQ AQ 53 .   ? 6.620   14.624  0.338   1.00 1.44  1   AQ 1 
HETATM 4256 C C42   . LIG_AQ AQ 53 .   ? 7.606   14.754  -0.140  1.00 1.39  1   AQ 1 
HETATM 4257 C C43   . LIG_AQ AQ 53 .   ? 8.593   14.802  -0.639  1.00 1.26  1   AQ 1 
HETATM 4258 C C44   . LIG_AQ AQ 53 .   ? 9.643   14.739  -1.214  1.00 1.32  1   AQ 1 
#
