# 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-gtp
#
_entry.id atrop9short-ger-40dopc-10dope-gtp
#
loop_
_atom_type.symbol
C 
N 
O 
P 
S 
#
loop_
_audit_author.name
_audit_author.pdbx_ordinal
"Google DeepMind" 1 
"Isomorphic Labs" 2 
#
_audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic
_audit_conform.dict_name     mmcif_ma.dic
_audit_conform.dict_version  1.4.5
#
loop_
_chem_comp.formula
_chem_comp.formula_weight
_chem_comp.id
_chem_comp.mon_nstd_flag
_chem_comp.name
_chem_comp.pdbx_smiles
_chem_comp.pdbx_synonyms
_chem_comp.type
"C3 H7 N O2"        89.093  ALA    y ALANINE                     C[C@@H](C(=O)O)N                                                                          ? "L-PEPTIDE LINKING" 
"C6 H15 N4 O2"      175.209 ARG    y ARGININE                    C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N                                                          ? "L-PEPTIDE LINKING" 
"C4 H8 N2 O3"       132.118 ASN    y ASPARAGINE                  C([C@@H](C(=O)O)N)C(=O)N                                                                  ? "L-PEPTIDE LINKING" 
"C4 H7 N O4"        133.103 ASP    y "ASPARTIC ACID"             C([C@@H](C(=O)O)N)C(=O)O                                                                  ? "L-PEPTIDE LINKING" 
"C3 H7 N O2 S"      121.158 CYS    y CYSTEINE                    C([C@@H](C(=O)O)N)S                                                                       ? "L-PEPTIDE LINKING" 
"C20 H34"           274.484 GER    . "GERAN-8-YL GERAN"          C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C                                                 ? NON-POLYMER         
"C5 H10 N2 O3"      146.144 GLN    y GLUTAMINE                   C(CC(=O)N)[C@@H](C(=O)O)N                                                                 ? "L-PEPTIDE LINKING" 
"C5 H9 N O4"        147.129 GLU    y "GLUTAMIC ACID"             C(CC(=O)O)[C@@H](C(=O)O)N                                                                 ? "L-PEPTIDE LINKING" 
"C2 H5 N O2"        75.067  GLY    y GLYCINE                     C(C(=O)O)N                                                                                ? "PEPTIDE LINKING"   
"C10 H16 N5 O14 P3" 523.180 GTP    . "GUANOSINE-5'-TRIPHOSPHATE" c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N ? NON-POLYMER         
"C6 H10 N3 O2"      156.162 HIS    y HISTIDINE                   c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N                                                          ? "L-PEPTIDE LINKING" 
"C6 H13 N O2"       131.173 ILE    y ISOLEUCINE                  CC[C@H](C)[C@@H](C(=O)O)N                                                                 ? "L-PEPTIDE LINKING" 
"C6 H13 N O2"       131.173 LEU    y LEUCINE                     CC(C)C[C@@H](C(=O)O)N                                                                     ? "L-PEPTIDE LINKING" 
?                   ?       LIG_AA ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_AB ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_AC ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_AD ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_AE ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_AF ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_AG ? ?                           CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?                   ?       LIG_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 15:57:20)"
_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 30.07
_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 49.56 1 1   
A  SER    2   2 55.92 1 2   
A  ALA    3   2 62.47 1 3   
A  SER    4   2 65.69 1 4   
A  LYS    5   2 70.22 1 5   
A  PHE    6   2 79.58 1 6   
A  ILE    7   2 84.07 1 7   
A  LYS    8   2 87.14 1 8   
A  CYS    9   2 88.83 1 9   
A  VAL    10  2 87.65 1 10  
A  THR    11  2 85.23 1 11  
A  VAL    12  2 87.01 1 12  
A  GLY    13  2 89.57 1 13  
A  ASP    14  2 87.52 1 14  
A  GLY    15  2 88.29 1 15  
A  ALA    16  2 86.87 1 16  
A  VAL    17  2 86.54 1 17  
A  GLY    18  2 88.81 1 18  
A  LYS    19  2 86.03 1 19  
A  THR    20  2 84.07 1 20  
A  CYS    21  2 87.38 1 21  
A  MET    22  2 86.49 1 22  
A  LEU    23  2 85.54 1 23  
A  ILE    24  2 82.87 1 24  
A  CYS    25  2 85.71 1 25  
A  TYR    26  2 85.34 1 26  
A  THR    27  2 80.59 1 27  
A  SER    28  2 80.33 1 28  
A  ASN    29  2 76.65 1 29  
A  LYS    30  2 72.47 1 30  
A  PHE    31  2 77.44 1 31  
A  PRO    32  2 79.54 1 32  
A  THR    33  2 74.97 1 33  
A  ASP    34  2 73.04 1 34  
A  TYR    35  2 69.56 1 35  
A  ILE    36  2 70.03 1 36  
A  PRO    37  2 73.45 1 37  
A  THR    38  2 71.40 1 38  
A  VAL    39  2 66.31 1 39  
A  PHE    40  2 58.83 1 40  
A  ASP    41  2 68.45 1 41  
A  ASN    42  2 72.99 1 42  
A  PHE    43  2 69.66 1 43  
A  SER    44  2 77.46 1 44  
A  ALA    45  2 81.70 1 45  
A  ASN    46  2 79.28 1 46  
A  VAL    47  2 81.63 1 47  
A  ALA    48  2 82.65 1 48  
A  VAL    49  2 77.45 1 49  
A  ASP    50  2 73.69 1 50  
A  GLY    51  2 80.34 1 51  
A  GLN    52  2 74.06 1 52  
A  ILE    53  2 77.61 1 53  
A  VAL    54  2 82.08 1 54  
A  ASN    55  2 81.58 1 55  
A  LEU    56  2 85.46 1 56  
A  GLY    57  2 90.43 1 57  
A  LEU    58  2 85.99 1 58  
A  TRP    59  2 82.28 1 59  
A  ASP    60  2 83.66 1 60  
A  THR    61  2 83.01 1 61  
A  ALA    62  2 84.86 1 62  
A  GLY    63  2 84.80 1 63  
A  GLN    64  2 78.88 1 64  
A  GLU    65  2 75.03 1 65  
A  ASP    66  2 78.36 1 66  
A  TYR    67  2 77.11 1 67  
A  SER    68  2 83.80 1 68  
A  ARG    69  2 73.87 1 69  
A  LEU    70  2 80.51 1 70  
A  ARG    71  2 80.80 1 71  
A  PRO    72  2 86.71 1 72  
A  LEU    73  2 83.57 1 73  
A  SER    74  2 84.95 1 74  
A  TYR    75  2 84.43 1 75  
A  ARG    76  2 74.29 1 76  
A  GLY    77  2 88.74 1 77  
A  ALA    78  2 88.92 1 78  
A  ASP    79  2 86.66 1 79  
A  ILE    80  2 87.43 1 80  
A  PHE    81  2 88.31 1 81  
A  VAL    82  2 88.92 1 82  
A  LEU    83  2 88.79 1 83  
A  ALA    84  2 92.03 1 84  
A  PHE    85  2 89.50 1 85  
A  SER    86  2 90.30 1 86  
A  LEU    87  2 89.30 1 87  
A  ILE    88  2 84.06 1 88  
A  SER    89  2 88.93 1 89  
A  LYS    90  2 81.45 1 90  
A  ALA    91  2 91.00 1 91  
A  SER    92  2 89.41 1 92  
A  TYR    93  2 89.51 1 93  
A  GLU    94  2 86.11 1 94  
A  ASN    95  2 87.18 1 95  
A  VAL    96  2 88.54 1 96  
A  LEU    97  2 85.84 1 97  
A  LYS    98  2 81.88 1 98  
A  LYS    99  2 83.79 1 99  
A  TRP    100 2 87.95 1 100 
A  MET    101 2 87.41 1 101 
A  PRO    102 2 89.66 1 102 
A  GLU    103 2 85.58 1 103 
A  LEU    104 2 86.59 1 104 
A  ARG    105 2 76.02 1 105 
A  ARG    106 2 77.76 1 106 
A  PHE    107 2 82.67 1 107 
A  ALA    108 2 87.85 1 108 
A  PRO    109 2 85.25 1 109 
A  ASN    110 2 80.54 1 110 
A  VAL    111 2 86.88 1 111 
A  PRO    112 2 89.11 1 112 
A  ILE    113 2 87.44 1 113 
A  VAL    114 2 88.96 1 114 
A  LEU    115 2 89.95 1 115 
A  VAL    116 2 88.95 1 116 
A  GLY    117 2 92.22 1 117 
A  THR    118 2 88.03 1 118 
A  LYS    119 2 87.69 1 119 
A  LEU    120 2 88.08 1 120 
A  ASP    121 2 85.16 1 121 
A  LEU    122 2 84.87 1 122 
A  ARG    123 2 83.13 1 123 
A  ASP    124 2 78.30 1 124 
A  ASP    125 2 77.56 1 125 
A  LYS    126 2 68.86 1 126 
A  GLY    127 2 77.14 1 127 
A  TYR    128 2 70.75 1 128 
A  LEU    129 2 72.52 1 129 
A  ALA    130 2 76.13 1 130 
A  ASP    131 2 71.96 1 131 
A  HIS    132 2 69.68 1 132 
A  THR    133 2 72.75 1 133 
A  ASN    134 2 75.01 1 134 
A  VAL    135 2 82.97 1 135 
A  ILE    136 2 86.09 1 136 
A  THR    137 2 85.68 1 137 
A  SER    138 2 88.59 1 138 
A  THR    139 2 87.65 1 139 
A  GLN    140 2 86.77 1 140 
A  GLY    141 2 91.62 1 141 
A  GLU    142 2 85.66 1 142 
A  GLU    143 2 82.68 1 143 
A  LEU    144 2 89.41 1 144 
A  ARG    145 2 86.11 1 145 
A  LYS    146 2 84.25 1 146 
A  GLN    147 2 84.34 1 147 
A  ILE    148 2 86.27 1 148 
A  GLY    149 2 89.29 1 149 
A  ALA    150 2 89.97 1 150 
A  ALA    151 2 90.00 1 151 
A  ALA    152 2 91.07 1 152 
A  TYR    153 2 89.66 1 153 
A  ILE    154 2 86.98 1 154 
A  GLU    155 2 89.67 1 155 
A  CYS    156 2 90.61 1 156 
A  SER    157 2 90.00 1 157 
A  SER    158 2 88.26 1 158 
A  LYS    159 2 83.37 1 159 
A  THR    160 2 84.95 1 160 
A  GLN    161 2 81.35 1 161 
A  GLN    162 2 83.13 1 162 
A  ASN    163 2 86.57 1 163 
A  VAL    164 2 87.51 1 164 
A  LYS    165 2 80.95 1 165 
A  ALA    166 2 90.99 1 166 
A  VAL    167 2 88.24 1 167 
A  PHE    168 2 86.09 1 168 
A  ASP    169 2 85.25 1 169 
A  THR    170 2 86.46 1 170 
A  ALA    171 2 90.16 1 171 
A  ILE    172 2 85.57 1 172 
A  LYS    173 2 81.10 1 173 
A  VAL    174 2 86.08 1 174 
A  VAL    175 2 84.55 1 175 
A  LEU    176 2 79.96 1 176 
A  GLN    177 2 68.52 1 177 
A  PRO    178 2 64.46 1 178 
A  PRO    179 2 55.43 1 179 
A  ARG    180 2 43.95 1 180 
A  ARG    181 2 42.64 1 181 
A  LYS    182 2 45.03 1 182 
A  GLU    183 2 47.91 1 183 
A  VAL    184 2 49.85 1 184 
A  PRO    185 2 51.65 1 185 
A  ARG    186 2 47.58 1 186 
A  ARG    187 2 46.10 1 187 
A  ARG    188 2 45.20 1 188 
A  LYS    189 2 48.13 1 189 
A  ASN    190 2 55.08 1 190 
A  HIS    191 2 52.47 1 191 
A  ARG    192 2 47.78 1 192 
A  ARG    193 2 48.19 1 193 
A  SER    194 2 59.16 1 194 
A  GLY    195 2 64.02 1 195 
A  CYS    196 2 63.33 1 196 
B  GTP    .   2 72.30 1 197 
C  GER    .   2 17.41 1 198 
D  LIG_D  .   2 1.54  1 199 
E  LIG_E  .   2 1.48  1 200 
F  LIG_F  .   2 2.14  1 201 
G  LIG_G  .   2 1.60  1 202 
H  LIG_H  .   2 1.52  1 203 
I  LIG_I  .   2 1.54  1 204 
J  LIG_J  .   2 1.54  1 205 
K  LIG_K  .   2 1.53  1 206 
L  LIG_L  .   2 1.52  1 207 
M  LIG_M  .   2 1.61  1 208 
N  LIG_N  .   2 1.52  1 209 
O  LIG_O  .   2 1.55  1 210 
P  LIG_P  .   2 1.53  1 211 
Q  LIG_Q  .   2 1.53  1 212 
R  LIG_R  .   2 1.52  1 213 
S  LIG_S  .   2 1.54  1 214 
T  LIG_T  .   2 1.81  1 215 
U  LIG_U  .   2 1.55  1 216 
V  LIG_V  .   2 1.50  1 217 
W  LIG_W  .   2 1.53  1 218 
X  LIG_X  .   2 2.89  1 219 
Y  LIG_Y  .   2 1.50  1 220 
Z  LIG_Z  .   2 1.50  1 221 
AA LIG_AA .   2 1.57  1 222 
BA LIG_BA .   2 1.57  1 223 
AB LIG_AB .   2 1.51  1 224 
BB LIG_BB .   2 1.35  1 225 
AC LIG_AC .   2 1.97  1 226 
BC LIG_BC .   2 1.57  1 227 
AD LIG_AD .   2 1.60  1 228 
BD LIG_BD .   2 1.30  1 229 
AE LIG_AE .   2 1.53  1 230 
BE LIG_BE .   2 1.67  1 231 
AF LIG_AF .   2 1.52  1 232 
BF LIG_BF .   2 1.35  1 233 
AG LIG_AG .   2 1.79  1 234 
BG LIG_BG .   2 1.56  1 235 
AH LIG_AH .   2 1.50  1 236 
BH LIG_BH .   2 1.29  1 237 
AI LIG_AI .   2 2.37  1 238 
BI LIG_BI .   2 1.31  1 239 
AJ LIG_AJ .   2 1.49  1 240 
BJ LIG_BJ .   2 1.66  1 241 
AK LIG_AK .   2 1.50  1 242 
AL LIG_AL .   2 2.26  1 243 
AM LIG_AM .   2 1.29  1 244 
AN LIG_AN .   2 1.52  1 245 
AO LIG_AO .   2 1.53  1 246 
AP LIG_AP .   2 3.37  1 247 
AQ LIG_AQ .   2 1.52  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  GTP    . 1 B  
C  1 3  GER    . 1 C  
D  1 4  LIG_D  . 1 D  
E  1 5  LIG_E  . 1 E  
F  1 6  LIG_F  . 1 F  
G  1 7  LIG_G  . 1 G  
H  1 8  LIG_H  . 1 H  
I  1 9  LIG_I  . 1 I  
J  1 10 LIG_J  . 1 J  
K  1 11 LIG_K  . 1 K  
L  1 12 LIG_L  . 1 L  
M  1 13 LIG_M  . 1 M  
N  1 14 LIG_N  . 1 N  
O  1 15 LIG_O  . 1 O  
P  1 16 LIG_P  . 1 P  
Q  1 17 LIG_Q  . 1 Q  
R  1 18 LIG_R  . 1 R  
S  1 19 LIG_S  . 1 S  
T  1 20 LIG_T  . 1 T  
U  1 21 LIG_U  . 1 U  
V  1 22 LIG_V  . 1 V  
W  1 23 LIG_W  . 1 W  
X  1 24 LIG_X  . 1 X  
Y  1 25 LIG_Y  . 1 Y  
Z  1 26 LIG_Z  . 1 Z  
AA 1 27 LIG_AA . 1 AA 
BA 1 28 LIG_BA . 1 BA 
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   ? 5.010   -28.276 34.002  1.00 51.46 1   A  1 
ATOM   2    C CA    . MET    A  1  1   ? 5.496   -27.870 35.322  1.00 53.56 1   A  1 
ATOM   3    C C     . MET    A  1  1   ? 5.750   -26.367 35.378  1.00 53.46 1   A  1 
ATOM   4    O O     . MET    A  1  1   ? 5.567   -25.740 36.423  1.00 48.96 1   A  1 
ATOM   5    C CB    . MET    A  1  1   ? 6.778   -28.631 35.682  1.00 50.39 1   A  1 
ATOM   6    C CG    . MET    A  1  1   ? 7.337   -28.313 37.058  1.00 48.58 1   A  1 
ATOM   7    S SD    . MET    A  1  1   ? 8.769   -29.321 37.440  1.00 46.94 1   A  1 
ATOM   8    C CE    . MET    A  1  1   ? 9.237   -28.619 39.031  1.00 43.14 1   A  1 
ATOM   9    N N     . SER    A  1  2   ? 6.152   -25.830 34.251  1.00 57.73 2   A  1 
ATOM   10   C CA    . SER    A  1  2   ? 6.387   -24.397 34.155  1.00 59.11 2   A  1 
ATOM   11   C C     . SER    A  1  2   ? 5.856   -23.882 32.823  1.00 60.74 2   A  1 
ATOM   12   O O     . SER    A  1  2   ? 5.545   -24.668 31.926  1.00 55.95 2   A  1 
ATOM   13   C CB    . SER    A  1  2   ? 7.876   -24.085 34.274  1.00 53.83 2   A  1 
ATOM   14   O OG    . SER    A  1  2   ? 8.579   -24.570 33.149  1.00 48.16 2   A  1 
ATOM   15   N N     . ALA    A  1  3   ? 5.767   -22.574 32.716  1.00 62.69 3   A  1 
ATOM   16   C CA    . ALA    A  1  3   ? 5.267   -21.961 31.487  1.00 63.96 3   A  1 
ATOM   17   C C     . ALA    A  1  3   ? 6.415   -21.582 30.554  1.00 65.41 3   A  1 
ATOM   18   O O     . ALA    A  1  3   ? 6.398   -20.520 29.933  1.00 60.96 3   A  1 
ATOM   19   C CB    . ALA    A  1  3   ? 4.424   -20.735 31.830  1.00 59.35 3   A  1 
ATOM   20   N N     . SER    A  1  4   ? 7.404   -22.442 30.482  1.00 67.96 4   A  1 
ATOM   21   C CA    . SER    A  1  4   ? 8.566   -22.172 29.642  1.00 69.47 4   A  1 
ATOM   22   C C     . SER    A  1  4   ? 8.344   -22.552 28.181  1.00 73.55 4   A  1 
ATOM   23   O O     . SER    A  1  4   ? 8.979   -21.986 27.290  1.00 68.35 4   A  1 
ATOM   24   C CB    . SER    A  1  4   ? 9.782   -22.919 30.186  1.00 61.49 4   A  1 
ATOM   25   O OG    . SER    A  1  4   ? 9.553   -24.308 30.195  1.00 53.31 4   A  1 
ATOM   26   N N     . LYS    A  1  5   ? 7.452   -23.497 27.931  1.00 78.06 5   A  1 
ATOM   27   C CA    . LYS    A  1  5   ? 7.190   -23.925 26.564  1.00 81.34 5   A  1 
ATOM   28   C C     . LYS    A  1  5   ? 6.272   -22.941 25.850  1.00 83.84 5   A  1 
ATOM   29   O O     . LYS    A  1  5   ? 5.262   -22.513 26.403  1.00 80.93 5   A  1 
ATOM   30   C CB    . LYS    A  1  5   ? 6.540   -25.307 26.549  1.00 76.30 5   A  1 
ATOM   31   C CG    . LYS    A  1  5   ? 7.420   -26.425 27.072  1.00 66.99 5   A  1 
ATOM   32   C CD    . LYS    A  1  5   ? 6.685   -27.751 27.012  1.00 62.56 5   A  1 
ATOM   33   C CE    . LYS    A  1  5   ? 7.540   -28.884 27.551  1.00 53.96 5   A  1 
ATOM   34   N NZ    . LYS    A  1  5   ? 6.814   -30.180 27.519  1.00 48.01 5   A  1 
ATOM   35   N N     . PHE    A  1  6   ? 6.630   -22.623 24.635  1.00 86.14 6   A  1 
ATOM   36   C CA    . PHE    A  1  6   ? 5.807   -21.738 23.835  1.00 86.89 6   A  1 
ATOM   37   C C     . PHE    A  1  6   ? 5.283   -22.501 22.627  1.00 87.68 6   A  1 
ATOM   38   O O     . PHE    A  1  6   ? 6.039   -23.194 21.950  1.00 85.08 6   A  1 
ATOM   39   C CB    . PHE    A  1  6   ? 6.601   -20.521 23.366  1.00 84.21 6   A  1 
ATOM   40   C CG    . PHE    A  1  6   ? 5.808   -19.591 22.485  1.00 82.37 6   A  1 
ATOM   41   C CD1   . PHE    A  1  6   ? 4.858   -18.743 23.031  1.00 75.44 6   A  1 
ATOM   42   C CD2   . PHE    A  1  6   ? 5.995   -19.584 21.108  1.00 74.21 6   A  1 
ATOM   43   C CE1   . PHE    A  1  6   ? 4.105   -17.898 22.221  1.00 71.51 6   A  1 
ATOM   44   C CE2   . PHE    A  1  6   ? 5.246   -18.744 20.290  1.00 70.25 6   A  1 
ATOM   45   C CZ    . PHE    A  1  6   ? 4.299   -17.897 20.851  1.00 71.64 6   A  1 
ATOM   46   N N     . ILE    A  1  7   ? 4.002   -22.370 22.383  1.00 87.18 7   A  1 
ATOM   47   C CA    . ILE    A  1  7   ? 3.378   -23.020 21.239  1.00 88.40 7   A  1 
ATOM   48   C C     . ILE    A  1  7   ? 2.707   -21.947 20.400  1.00 88.63 7   A  1 
ATOM   49   O O     . ILE    A  1  7   ? 1.891   -21.183 20.912  1.00 86.15 7   A  1 
ATOM   50   C CB    . ILE    A  1  7   ? 2.326   -24.060 21.680  1.00 87.01 7   A  1 
ATOM   51   C CG1   . ILE    A  1  7   ? 3.012   -25.217 22.411  1.00 80.50 7   A  1 
ATOM   52   C CG2   . ILE    A  1  7   ? 1.542   -24.571 20.473  1.00 79.07 7   A  1 
ATOM   53   C CD1   . ILE    A  1  7   ? 2.053   -26.238 22.990  1.00 75.62 7   A  1 
ATOM   54   N N     . LYS    A  1  8   ? 3.055   -21.916 19.130  1.00 89.67 8   A  1 
ATOM   55   C CA    . LYS    A  1  8   ? 2.449   -20.946 18.234  1.00 90.25 8   A  1 
ATOM   56   C C     . LYS    A  1  8   ? 1.319   -21.614 17.467  1.00 90.34 8   A  1 
ATOM   57   O O     . LYS    A  1  8   ? 1.553   -22.503 16.647  1.00 88.66 8   A  1 
ATOM   58   C CB    . LYS    A  1  8   ? 3.478   -20.370 17.270  1.00 88.92 8   A  1 
ATOM   59   C CG    . LYS    A  1  8   ? 2.882   -19.389 16.273  1.00 87.59 8   A  1 
ATOM   60   C CD    . LYS    A  1  8   ? 3.946   -18.665 15.463  1.00 85.69 8   A  1 
ATOM   61   C CE    . LYS    A  1  8   ? 3.303   -17.740 14.447  1.00 83.85 8   A  1 
ATOM   62   N NZ    . LYS    A  1  8   ? 4.303   -16.911 13.721  1.00 79.27 8   A  1 
ATOM   63   N N     . CYS    A  1  9   ? 0.111   -21.169 17.742  1.00 90.07 9   A  1 
ATOM   64   C CA    . CYS    A  1  9   ? -1.077  -21.708 17.103  1.00 90.37 9   A  1 
ATOM   65   C C     . CYS    A  1  9   ? -1.638  -20.641 16.170  1.00 90.24 9   A  1 
ATOM   66   O O     . CYS    A  1  9   ? -1.988  -19.550 16.615  1.00 88.04 9   A  1 
ATOM   67   C CB    . CYS    A  1  9   ? -2.110  -22.087 18.164  1.00 89.49 9   A  1 
ATOM   68   S SG    . CYS    A  1  9   ? -3.684  -22.653 17.499  1.00 84.77 9   A  1 
ATOM   69   N N     . VAL    A  1  10  ? -1.705  -20.969 14.892  1.00 90.79 10  A  1 
ATOM   70   C CA    . VAL    A  1  10  ? -2.195  -20.013 13.904  1.00 90.83 10  A  1 
ATOM   71   C C     . VAL    A  1  10  ? -3.552  -20.455 13.376  1.00 90.99 10  A  1 
ATOM   72   O O     . VAL    A  1  10  ? -3.703  -21.578 12.902  1.00 88.95 10  A  1 
ATOM   73   C CB    . VAL    A  1  10  ? -1.210  -19.877 12.732  1.00 89.64 10  A  1 
ATOM   74   C CG1   . VAL    A  1  10  ? -1.735  -18.890 11.696  1.00 80.81 10  A  1 
ATOM   75   C CG2   . VAL    A  1  10  ? 0.156   -19.435 13.242  1.00 81.52 10  A  1 
ATOM   76   N N     . THR    A  1  11  ? -4.514  -19.558 13.460  1.00 90.03 11  A  1 
ATOM   77   C CA    . THR    A  1  11  ? -5.869  -19.860 13.009  1.00 90.03 11  A  1 
ATOM   78   C C     . THR    A  1  11  ? -6.106  -19.306 11.610  1.00 89.40 11  A  1 
ATOM   79   O O     . THR    A  1  11  ? -5.878  -18.122 11.361  1.00 86.36 11  A  1 
ATOM   80   C CB    . THR    A  1  11  ? -6.901  -19.271 13.980  1.00 89.04 11  A  1 
ATOM   81   O OG1   . THR    A  1  11  ? -6.662  -19.797 15.295  1.00 75.67 11  A  1 
ATOM   82   C CG2   . THR    A  1  11  ? -8.314  -19.620 13.558  1.00 76.11 11  A  1 
ATOM   83   N N     . VAL    A  1  12  ? -6.571  -20.165 10.725  1.00 90.67 12  A  1 
ATOM   84   C CA    . VAL    A  1  12  ? -6.830  -19.757 9.346   1.00 91.16 12  A  1 
ATOM   85   C C     . VAL    A  1  12  ? -8.190  -20.276 8.894   1.00 91.14 12  A  1 
ATOM   86   O O     . VAL    A  1  12  ? -8.775  -21.149 9.531   1.00 88.11 12  A  1 
ATOM   87   C CB    . VAL    A  1  12  ? -5.747  -20.283 8.379   1.00 89.85 12  A  1 
ATOM   88   C CG1   . VAL    A  1  12  ? -4.371  -19.780 8.799   1.00 78.63 12  A  1 
ATOM   89   C CG2   . VAL    A  1  12  ? -5.760  -21.803 8.331   1.00 79.48 12  A  1 
ATOM   90   N N     . GLY    A  1  13  ? -8.679  -19.712 7.800   1.00 90.73 13  A  1 
ATOM   91   C CA    . GLY    A  1  13  ? -9.967  -20.121 7.273   1.00 90.76 13  A  1 
ATOM   92   C C     . GLY    A  1  13  ? -10.637 -18.946 6.581   1.00 90.60 13  A  1 
ATOM   93   O O     . GLY    A  1  13  ? -10.203 -17.807 6.732   1.00 86.18 13  A  1 
ATOM   94   N N     . ASP    A  1  14  ? -11.690 -19.229 5.837   1.00 90.77 14  A  1 
ATOM   95   C CA    . ASP    A  1  14  ? -12.405 -18.183 5.110   1.00 90.69 14  A  1 
ATOM   96   C C     . ASP    A  1  14  ? -12.891 -17.055 6.018   1.00 90.36 14  A  1 
ATOM   97   O O     . ASP    A  1  14  ? -13.018 -17.216 7.233   1.00 86.71 14  A  1 
ATOM   98   C CB    . ASP    A  1  14  ? -13.616 -18.768 4.380   1.00 89.40 14  A  1 
ATOM   99   C CG    . ASP    A  1  14  ? -13.259 -19.423 3.058   1.00 87.92 14  A  1 
ATOM   100  O OD1   . ASP    A  1  14  ? -12.061 -19.538 2.731   1.00 81.72 14  A  1 
ATOM   101  O OD2   . ASP    A  1  14  ? -14.198 -19.812 2.332   1.00 82.58 14  A  1 
ATOM   102  N N     . GLY    A  1  15  ? -13.169 -15.922 5.388   1.00 89.31 15  A  1 
ATOM   103  C CA    . GLY    A  1  15  ? -13.674 -14.794 6.138   1.00 88.82 15  A  1 
ATOM   104  C C     . GLY    A  1  15  ? -15.037 -15.085 6.743   1.00 89.29 15  A  1 
ATOM   105  O O     . GLY    A  1  15  ? -15.847 -15.795 6.153   1.00 85.73 15  A  1 
ATOM   106  N N     . ALA    A  1  16  ? -15.264 -14.525 7.918   1.00 87.72 16  A  1 
ATOM   107  C CA    . ALA    A  1  16  ? -16.538 -14.638 8.621   1.00 88.15 16  A  1 
ATOM   108  C C     . ALA    A  1  16  ? -16.923 -16.041 9.082   1.00 88.70 16  A  1 
ATOM   109  O O     . ALA    A  1  16  ? -18.071 -16.262 9.465   1.00 84.22 16  A  1 
ATOM   110  C CB    . ALA    A  1  16  ? -17.670 -14.045 7.784   1.00 85.56 16  A  1 
ATOM   111  N N     . VAL    A  1  17  ? -15.988 -16.967 9.079   1.00 89.84 17  A  1 
ATOM   112  C CA    . VAL    A  1  17  ? -16.323 -18.310 9.561   1.00 90.34 17  A  1 
ATOM   113  C C     . VAL    A  1  17  ? -16.334 -18.386 11.087  1.00 90.17 17  A  1 
ATOM   114  O O     . VAL    A  1  17  ? -16.820 -19.365 11.648  1.00 86.52 17  A  1 
ATOM   115  C CB    . VAL    A  1  17  ? -15.373 -19.400 9.011   1.00 89.50 17  A  1 
ATOM   116  C CG1   . VAL    A  1  17  ? -15.420 -19.429 7.489   1.00 79.22 17  A  1 
ATOM   117  C CG2   . VAL    A  1  17  ? -13.953 -19.198 9.514   1.00 80.16 17  A  1 
ATOM   118  N N     . GLY    A  1  18  ? -15.807 -17.370 11.736  1.00 89.39 18  A  1 
ATOM   119  C CA    . GLY    A  1  18  ? -15.834 -17.348 13.193  1.00 89.68 18  A  1 
ATOM   120  C C     . GLY    A  1  18  ? -14.507 -17.529 13.898  1.00 89.96 18  A  1 
ATOM   121  O O     . GLY    A  1  18  ? -14.485 -17.875 15.082  1.00 86.21 18  A  1 
ATOM   122  N N     . LYS    A  1  19  ? -13.417 -17.308 13.202  1.00 89.18 19  A  1 
ATOM   123  C CA    . LYS    A  1  19  ? -12.091 -17.485 13.804  1.00 89.16 19  A  1 
ATOM   124  C C     . LYS    A  1  19  ? -11.867 -16.552 14.992  1.00 89.14 19  A  1 
ATOM   125  O O     . LYS    A  1  19  ? -11.451 -16.986 16.067  1.00 87.20 19  A  1 
ATOM   126  C CB    . LYS    A  1  19  ? -10.996 -17.254 12.758  1.00 87.85 19  A  1 
ATOM   127  C CG    . LYS    A  1  19  ? -11.075 -18.186 11.558  1.00 85.92 19  A  1 
ATOM   128  C CD    . LYS    A  1  19  ? -9.934  -17.956 10.573  1.00 84.17 19  A  1 
ATOM   129  C CE    . LYS    A  1  19  ? -9.956  -16.567 9.949   1.00 81.81 19  A  1 
ATOM   130  N NZ    . LYS    A  1  19  ? -11.181 -16.320 9.141   1.00 79.86 19  A  1 
ATOM   131  N N     . THR    A  1  20  ? -12.134 -15.286 14.789  1.00 88.17 20  A  1 
ATOM   132  C CA    . THR    A  1  20  ? -11.918 -14.307 15.848  1.00 87.73 20  A  1 
ATOM   133  C C     . THR    A  1  20  ? -12.847 -14.550 17.034  1.00 88.09 20  A  1 
ATOM   134  O O     . THR    A  1  20  ? -12.418 -14.490 18.188  1.00 86.19 20  A  1 
ATOM   135  C CB    . THR    A  1  20  ? -12.093 -12.879 15.315  1.00 86.02 20  A  1 
ATOM   136  O OG1   . THR    A  1  20  ? -11.101 -12.633 14.317  1.00 76.95 20  A  1 
ATOM   137  C CG2   . THR    A  1  20  ? -11.945 -11.851 16.430  1.00 75.31 20  A  1 
ATOM   138  N N     . CYS    A  1  21  ? -14.102 -14.827 16.745  1.00 88.76 21  A  1 
ATOM   139  C CA    . CYS    A  1  21  ? -15.044 -15.098 17.829  1.00 88.83 21  A  1 
ATOM   140  C C     . CYS    A  1  21  ? -14.609 -16.319 18.636  1.00 89.20 21  A  1 
ATOM   141  O O     . CYS    A  1  21  ? -14.747 -16.341 19.854  1.00 87.61 21  A  1 
ATOM   142  C CB    . CYS    A  1  21  ? -16.452 -15.309 17.284  1.00 87.56 21  A  1 
ATOM   143  S SG    . CYS    A  1  21  ? -17.273 -13.770 16.801  1.00 82.30 21  A  1 
ATOM   144  N N     . MET    A  1  22  ? -14.094 -17.306 17.944  1.00 88.39 22  A  1 
ATOM   145  C CA    . MET    A  1  22  ? -13.633 -18.508 18.632  1.00 89.14 22  A  1 
ATOM   146  C C     . MET    A  1  22  ? -12.471 -18.168 19.571  1.00 88.92 22  A  1 
ATOM   147  O O     . MET    A  1  22  ? -12.434 -18.629 20.714  1.00 87.01 22  A  1 
ATOM   148  C CB    . MET    A  1  22  ? -13.205 -19.564 17.611  1.00 88.88 22  A  1 
ATOM   149  C CG    . MET    A  1  22  ? -12.723 -20.867 18.222  1.00 86.13 22  A  1 
ATOM   150  S SD    . MET    A  1  22  ? -12.426 -22.152 16.990  1.00 85.62 22  A  1 
ATOM   151  C CE    . MET    A  1  22  ? -11.111 -21.420 16.025  1.00 77.82 22  A  1 
ATOM   152  N N     . LEU    A  1  23  ? -11.552 -17.368 19.098  1.00 88.62 23  A  1 
ATOM   153  C CA    . LEU    A  1  23  ? -10.407 -16.982 19.919  1.00 88.35 23  A  1 
ATOM   154  C C     . LEU    A  1  23  ? -10.824 -16.102 21.095  1.00 87.96 23  A  1 
ATOM   155  O O     . LEU    A  1  23  ? -10.338 -16.278 22.215  1.00 85.70 23  A  1 
ATOM   156  C CB    . LEU    A  1  23  ? -9.368  -16.259 19.066  1.00 87.59 23  A  1 
ATOM   157  C CG    . LEU    A  1  23  ? -8.655  -17.133 18.032  1.00 86.06 23  A  1 
ATOM   158  C CD1   . LEU    A  1  23  ? -7.878  -16.276 17.050  1.00 79.85 23  A  1 
ATOM   159  C CD2   . LEU    A  1  23  ? -7.720  -18.110 18.728  1.00 80.22 23  A  1 
ATOM   160  N N     . ILE    A  1  24  ? -11.712 -15.169 20.845  1.00 87.32 24  A  1 
ATOM   161  C CA    . ILE    A  1  24  ? -12.187 -14.292 21.910  1.00 86.54 24  A  1 
ATOM   162  C C     . ILE    A  1  24  ? -12.945 -15.110 22.951  1.00 86.57 24  A  1 
ATOM   163  O O     . ILE    A  1  24  ? -12.765 -14.923 24.156  1.00 85.02 24  A  1 
ATOM   164  C CB    . ILE    A  1  24  ? -13.080 -13.169 21.346  1.00 85.05 24  A  1 
ATOM   165  C CG1   . ILE    A  1  24  ? -12.223 -12.190 20.534  1.00 80.57 24  A  1 
ATOM   166  C CG2   . ILE    A  1  24  ? -13.805 -12.438 22.474  1.00 78.88 24  A  1 
ATOM   167  C CD1   . ILE    A  1  24  ? -13.012 -11.142 19.778  1.00 72.98 24  A  1 
ATOM   168  N N     . CYS    A  1  25  ? -13.771 -16.010 22.478  1.00 88.48 25  A  1 
ATOM   169  C CA    . CYS    A  1  25  ? -14.526 -16.864 23.389  1.00 88.14 25  A  1 
ATOM   170  C C     . CYS    A  1  25  ? -13.570 -17.689 24.249  1.00 87.97 25  A  1 
ATOM   171  O O     . CYS    A  1  25  ? -13.769 -17.831 25.455  1.00 85.70 25  A  1 
ATOM   172  C CB    . CYS    A  1  25  ? -15.452 -17.786 22.599  1.00 87.20 25  A  1 
ATOM   173  S SG    . CYS    A  1  25  ? -16.315 -18.993 23.624  1.00 76.77 25  A  1 
ATOM   174  N N     . TYR    A  1  26  ? -12.549 -18.214 23.623  1.00 87.95 26  A  1 
ATOM   175  C CA    . TYR    A  1  26  ? -11.583 -19.029 24.351  1.00 87.79 26  A  1 
ATOM   176  C C     . TYR    A  1  26  ? -10.836 -18.229 25.415  1.00 86.96 26  A  1 
ATOM   177  O O     . TYR    A  1  26  ? -10.647 -18.701 26.535  1.00 84.18 26  A  1 
ATOM   178  C CB    . TYR    A  1  26  ? -10.578 -19.642 23.376  1.00 87.66 26  A  1 
ATOM   179  C CG    . TYR    A  1  26  ? -9.516  -20.485 24.047  1.00 88.16 26  A  1 
ATOM   180  C CD1   . TYR    A  1  26  ? -9.857  -21.660 24.708  1.00 82.93 26  A  1 
ATOM   181  C CD2   . TYR    A  1  26  ? -8.180  -20.112 24.014  1.00 83.49 26  A  1 
ATOM   182  C CE1   . TYR    A  1  26  ? -8.891  -22.437 25.324  1.00 82.39 26  A  1 
ATOM   183  C CE2   . TYR    A  1  26  ? -7.206  -20.885 24.625  1.00 82.74 26  A  1 
ATOM   184  C CZ    . TYR    A  1  26  ? -7.565  -22.045 25.279  1.00 85.52 26  A  1 
ATOM   185  O OH    . TYR    A  1  26  ? -6.605  -22.818 25.889  1.00 84.26 26  A  1 
ATOM   186  N N     . THR    A  1  27  ? -10.432 -17.038 25.067  1.00 86.19 27  A  1 
ATOM   187  C CA    . THR    A  1  27  ? -9.640  -16.229 25.995  1.00 84.62 27  A  1 
ATOM   188  C C     . THR    A  1  27  ? -10.449 -15.420 27.002  1.00 83.66 27  A  1 
ATOM   189  O O     . THR    A  1  27  ? -9.936  -15.087 28.068  1.00 80.03 27  A  1 
ATOM   190  C CB    . THR    A  1  27  ? -8.728  -15.259 25.233  1.00 83.15 27  A  1 
ATOM   191  O OG1   . THR    A  1  27  ? -9.518  -14.369 24.440  1.00 73.96 27  A  1 
ATOM   192  C CG2   . THR    A  1  27  ? -7.762  -16.014 24.335  1.00 72.55 27  A  1 
ATOM   193  N N     . SER    A  1  28  ? -11.679 -15.097 26.677  1.00 85.20 28  A  1 
ATOM   194  C CA    . SER    A  1  28  ? -12.468 -14.241 27.567  1.00 83.55 28  A  1 
ATOM   195  C C     . SER    A  1  28  ? -13.866 -14.747 27.906  1.00 83.12 28  A  1 
ATOM   196  O O     . SER    A  1  28  ? -14.560 -14.131 28.716  1.00 78.20 28  A  1 
ATOM   197  C CB    . SER    A  1  28  ? -12.597 -12.847 26.957  1.00 80.65 28  A  1 
ATOM   198  O OG    . SER    A  1  28  ? -13.457 -12.867 25.838  1.00 71.24 28  A  1 
ATOM   199  N N     . ASN    A  1  29  ? -14.283 -15.821 27.280  1.00 82.86 29  A  1 
ATOM   200  C CA    . ASN    A  1  29  ? -15.628 -16.359 27.482  1.00 83.19 29  A  1 
ATOM   201  C C     . ASN    A  1  29  ? -16.709 -15.357 27.079  1.00 83.91 29  A  1 
ATOM   202  O O     . ASN    A  1  29  ? -17.810 -15.364 27.626  1.00 78.19 29  A  1 
ATOM   203  C CB    . ASN    A  1  29  ? -15.839 -16.795 28.938  1.00 80.03 29  A  1 
ATOM   204  C CG    . ASN    A  1  29  ? -15.043 -18.035 29.286  1.00 74.91 29  A  1 
ATOM   205  O OD1   . ASN    A  1  29  ? -14.935 -18.964 28.492  1.00 65.15 29  A  1 
ATOM   206  N ND2   . ASN    A  1  29  ? -14.478 -18.054 30.486  1.00 64.93 29  A  1 
ATOM   207  N N     . LYS    A  1  30  ? -16.383 -14.518 26.125  1.00 83.14 30  A  1 
ATOM   208  C CA    . LYS    A  1  30  ? -17.342 -13.543 25.623  1.00 82.86 30  A  1 
ATOM   209  C C     . LYS    A  1  30  ? -17.574 -13.776 24.138  1.00 83.13 30  A  1 
ATOM   210  O O     . LYS    A  1  30  ? -16.662 -14.174 23.416  1.00 78.66 30  A  1 
ATOM   211  C CB    . LYS    A  1  30  ? -16.840 -12.114 25.833  1.00 79.00 30  A  1 
ATOM   212  C CG    . LYS    A  1  30  ? -16.748 -11.689 27.286  1.00 71.68 30  A  1 
ATOM   213  C CD    . LYS    A  1  30  ? -16.292 -10.244 27.400  1.00 65.82 30  A  1 
ATOM   214  C CE    . LYS    A  1  30  ? -16.220 -9.797  28.849  1.00 57.45 30  A  1 
ATOM   215  N NZ    . LYS    A  1  30  ? -15.774 -8.382  28.967  1.00 50.45 30  A  1 
ATOM   216  N N     . PHE    A  1  31  ? -18.791 -13.515 23.711  1.00 82.88 31  A  1 
ATOM   217  C CA    . PHE    A  1  31  ? -19.125 -13.658 22.300  1.00 83.47 31  A  1 
ATOM   218  C C     . PHE    A  1  31  ? -19.458 -12.285 21.717  1.00 83.36 31  A  1 
ATOM   219  O O     . PHE    A  1  31  ? -20.491 -11.710 22.046  1.00 78.60 31  A  1 
ATOM   220  C CB    . PHE    A  1  31  ? -20.318 -14.597 22.129  1.00 80.47 31  A  1 
ATOM   221  C CG    . PHE    A  1  31  ? -20.717 -14.801 20.691  1.00 79.65 31  A  1 
ATOM   222  C CD1   . PHE    A  1  31  ? -19.918 -15.546 19.839  1.00 74.13 31  A  1 
ATOM   223  C CD2   . PHE    A  1  31  ? -21.881 -14.238 20.192  1.00 73.81 31  A  1 
ATOM   224  C CE1   . PHE    A  1  31  ? -20.274 -15.728 18.511  1.00 70.77 31  A  1 
ATOM   225  C CE2   . PHE    A  1  31  ? -22.241 -14.418 18.861  1.00 70.75 31  A  1 
ATOM   226  C CZ    . PHE    A  1  31  ? -21.436 -15.167 18.021  1.00 73.96 31  A  1 
ATOM   227  N N     . PRO    A  1  32  ? -18.607 -11.767 20.870  1.00 82.87 32  A  1 
ATOM   228  C CA    . PRO    A  1  32  ? -18.855 -10.450 20.270  1.00 81.67 32  A  1 
ATOM   229  C C     . PRO    A  1  32  ? -20.116 -10.469 19.412  1.00 81.88 32  A  1 
ATOM   230  O O     . PRO    A  1  32  ? -20.372 -11.439 18.706  1.00 77.07 32  A  1 
ATOM   231  C CB    . PRO    A  1  32  ? -17.617 -10.214 19.403  1.00 77.80 32  A  1 
ATOM   232  C CG    . PRO    A  1  32  ? -16.581 -11.133 19.958  1.00 75.99 32  A  1 
ATOM   233  C CD    . PRO    A  1  32  ? -17.336 -12.338 20.423  1.00 79.53 32  A  1 
ATOM   234  N N     . THR    A  1  33  ? -20.876 -9.392  19.478  1.00 80.63 33  A  1 
ATOM   235  C CA    . THR    A  1  33  ? -22.108 -9.320  18.698  1.00 79.76 33  A  1 
ATOM   236  C C     . THR    A  1  33  ? -21.927 -8.619  17.359  1.00 79.57 33  A  1 
ATOM   237  O O     . THR    A  1  33  ? -22.722 -8.824  16.444  1.00 74.31 33  A  1 
ATOM   238  C CB    . THR    A  1  33  ? -23.214 -8.596  19.480  1.00 75.88 33  A  1 
ATOM   239  O OG1   . THR    A  1  33  ? -22.758 -7.293  19.852  1.00 68.67 33  A  1 
ATOM   240  C CG2   . THR    A  1  33  ? -23.587 -9.378  20.731  1.00 65.97 33  A  1 
ATOM   241  N N     . ASP    A  1  34  ? -20.895 -7.803  17.248  1.00 79.95 34  A  1 
ATOM   242  C CA    . ASP    A  1  34  ? -20.651 -7.095  15.995  1.00 79.07 34  A  1 
ATOM   243  C C     . ASP    A  1  34  ? -19.561 -7.777  15.182  1.00 78.87 34  A  1 
ATOM   244  O O     . ASP    A  1  34  ? -18.592 -8.291  15.737  1.00 75.06 34  A  1 
ATOM   245  C CB    . ASP    A  1  34  ? -20.240 -5.648  16.264  1.00 75.94 34  A  1 
ATOM   246  C CG    . ASP    A  1  34  ? -21.352 -4.833  16.898  1.00 69.65 34  A  1 
ATOM   247  O OD1   . ASP    A  1  34  ? -22.536 -5.152  16.672  1.00 63.01 34  A  1 
ATOM   248  O OD2   . ASP    A  1  34  ? -21.035 -3.863  17.609  1.00 62.77 34  A  1 
ATOM   249  N N     . TYR    A  1  35  ? -19.745 -7.754  13.874  1.00 79.36 35  A  1 
ATOM   250  C CA    . TYR    A  1  35  ? -18.744 -8.346  12.995  1.00 78.55 35  A  1 
ATOM   251  C C     . TYR    A  1  35  ? -17.816 -7.270  12.451  1.00 78.61 35  A  1 
ATOM   252  O O     . TYR    A  1  35  ? -18.261 -6.333  11.796  1.00 75.01 35  A  1 
ATOM   253  C CB    . TYR    A  1  35  ? -19.401 -9.081  11.826  1.00 74.90 35  A  1 
ATOM   254  C CG    . TYR    A  1  35  ? -18.412 -9.476  10.748  1.00 71.55 35  A  1 
ATOM   255  C CD1   . TYR    A  1  35  ? -17.333 -10.294 11.039  1.00 65.44 35  A  1 
ATOM   256  C CD2   . TYR    A  1  35  ? -18.547 -9.010  9.446   1.00 65.23 35  A  1 
ATOM   257  C CE1   . TYR    A  1  35  ? -16.406 -10.645 10.066  1.00 61.58 35  A  1 
ATOM   258  C CE2   . TYR    A  1  35  ? -17.630 -9.356  8.462   1.00 61.34 35  A  1 
ATOM   259  C CZ    . TYR    A  1  35  ? -16.563 -10.174 8.776   1.00 63.34 35  A  1 
ATOM   260  O OH    . TYR    A  1  35  ? -15.647 -10.522 7.807   1.00 59.86 35  A  1 
ATOM   261  N N     . ILE    A  1  36  ? -16.549 -7.441  12.725  1.00 78.04 36  A  1 
ATOM   262  C CA    . ILE    A  1  36  ? -15.527 -6.534  12.218  1.00 76.48 36  A  1 
ATOM   263  C C     . ILE    A  1  36  ? -14.428 -7.416  11.637  1.00 75.73 36  A  1 
ATOM   264  O O     . ILE    A  1  36  ? -13.832 -8.210  12.362  1.00 70.60 36  A  1 
ATOM   265  C CB    . ILE    A  1  36  ? -14.942 -5.650  13.329  1.00 72.71 36  A  1 
ATOM   266  C CG1   . ILE    A  1  36  ? -16.043 -4.775  13.939  1.00 65.40 36  A  1 
ATOM   267  C CG2   . ILE    A  1  36  ? -13.818 -4.790  12.771  1.00 63.76 36  A  1 
ATOM   268  C CD1   . ILE    A  1  36  ? -15.589 -3.932  15.114  1.00 57.54 36  A  1 
ATOM   269  N N     . PRO    A  1  37  ? -14.168 -7.276  10.344  1.00 77.94 37  A  1 
ATOM   270  C CA    . PRO    A  1  37  ? -13.130 -8.104  9.727   1.00 75.89 37  A  1 
ATOM   271  C C     . PRO    A  1  37  ? -11.806 -7.998  10.477  1.00 75.46 37  A  1 
ATOM   272  O O     . PRO    A  1  37  ? -11.443 -6.927  10.963  1.00 71.20 37  A  1 
ATOM   273  C CB    . PRO    A  1  37  ? -13.026 -7.536  8.316   1.00 72.06 37  A  1 
ATOM   274  C CG    . PRO    A  1  37  ? -14.403 -7.028  8.042   1.00 69.17 37  A  1 
ATOM   275  C CD    . PRO    A  1  37  ? -14.851 -6.436  9.349   1.00 72.42 37  A  1 
ATOM   276  N N     . THR    A  1  38  ? -11.121 -9.104  10.552  1.00 78.24 38  A  1 
ATOM   277  C CA    . THR    A  1  38  ? -9.889  -9.200  11.321  1.00 75.90 38  A  1 
ATOM   278  C C     . THR    A  1  38  ? -8.638  -9.249  10.468  1.00 75.11 38  A  1 
ATOM   279  O O     . THR    A  1  38  ? -8.637  -9.821  9.382   1.00 70.44 38  A  1 
ATOM   280  C CB    . THR    A  1  38  ? -9.925  -10.475 12.179  1.00 71.72 38  A  1 
ATOM   281  O OG1   . THR    A  1  38  ? -10.998 -10.389 13.116  1.00 65.14 38  A  1 
ATOM   282  C CG2   . THR    A  1  38  ? -8.615  -10.685 12.926  1.00 63.26 38  A  1 
ATOM   283  N N     . VAL    A  1  39  ? -7.597  -8.662  11.004  1.00 72.15 39  A  1 
ATOM   284  C CA    . VAL    A  1  39  ? -6.292  -8.789  10.373  1.00 70.74 39  A  1 
ATOM   285  C C     . VAL    A  1  39  ? -5.237  -8.837  11.478  1.00 71.60 39  A  1 
ATOM   286  O O     . VAL    A  1  39  ? -5.014  -7.862  12.185  1.00 66.36 39  A  1 
ATOM   287  C CB    . VAL    A  1  39  ? -6.008  -7.640  9.374   1.00 65.59 39  A  1 
ATOM   288  C CG1   . VAL    A  1  39  ? -6.094  -6.286  10.043  1.00 58.14 39  A  1 
ATOM   289  C CG2   . VAL    A  1  39  ? -4.640  -7.834  8.744   1.00 59.57 39  A  1 
ATOM   290  N N     . PHE    A  1  40  ? -4.627  -9.991  11.619  1.00 69.03 40  A  1 
ATOM   291  C CA    . PHE    A  1  40  ? -3.537  -10.221 12.556  1.00 68.69 40  A  1 
ATOM   292  C C     . PHE    A  1  40  ? -3.762  -9.808  14.010  1.00 71.74 40  A  1 
ATOM   293  O O     . PHE    A  1  40  ? -3.003  -9.021  14.571  1.00 65.82 40  A  1 
ATOM   294  C CB    . PHE    A  1  40  ? -2.264  -9.562  12.029  1.00 61.96 40  A  1 
ATOM   295  C CG    . PHE    A  1  40  ? -1.868  -10.029 10.658  1.00 58.31 40  A  1 
ATOM   296  C CD1   . PHE    A  1  40  ? -1.836  -11.376 10.354  1.00 52.96 40  A  1 
ATOM   297  C CD2   . PHE    A  1  40  ? -1.526  -9.115  9.671   1.00 53.50 40  A  1 
ATOM   298  C CE1   . PHE    A  1  40  ? -1.474  -11.811 9.089   1.00 47.97 40  A  1 
ATOM   299  C CE2   . PHE    A  1  40  ? -1.156  -9.544  8.406   1.00 48.20 40  A  1 
ATOM   300  C CZ    . PHE    A  1  40  ? -1.130  -10.896 8.113   1.00 48.93 40  A  1 
ATOM   301  N N     . ASP    A  1  41  ? -4.776  -10.389 14.624  1.00 74.26 41  A  1 
ATOM   302  C CA    . ASP    A  1  41  ? -4.967  -10.208 16.057  1.00 73.75 41  A  1 
ATOM   303  C C     . ASP    A  1  41  ? -4.197  -11.331 16.731  1.00 75.49 41  A  1 
ATOM   304  O O     . ASP    A  1  41  ? -4.452  -12.503 16.456  1.00 71.47 41  A  1 
ATOM   305  C CB    . ASP    A  1  41  ? -6.438  -10.314 16.449  1.00 69.28 41  A  1 
ATOM   306  C CG    . ASP    A  1  41  ? -7.228  -9.067  16.100  1.00 64.86 41  A  1 
ATOM   307  O OD1   . ASP    A  1  41  ? -6.624  -7.977  16.018  1.00 59.64 41  A  1 
ATOM   308  O OD2   . ASP    A  1  41  ? -8.456  -9.178  15.932  1.00 58.88 41  A  1 
ATOM   309  N N     . ASN    A  1  42  ? -3.266  -10.970 17.591  1.00 80.20 42  A  1 
ATOM   310  C CA    . ASN    A  1  42  ? -2.479  -11.980 18.275  1.00 79.85 42  A  1 
ATOM   311  C C     . ASN    A  1  42  ? -2.697  -11.927 19.777  1.00 80.26 42  A  1 
ATOM   312  O O     . ASN    A  1  42  ? -2.846  -10.852 20.354  1.00 74.97 42  A  1 
ATOM   313  C CB    . ASN    A  1  42  ? -0.995  -11.808 17.962  1.00 75.77 42  A  1 
ATOM   314  C CG    . ASN    A  1  42  ? -0.694  -11.927 16.484  1.00 69.42 42  A  1 
ATOM   315  O OD1   . ASN    A  1  42  ? -1.403  -12.613 15.750  1.00 60.73 42  A  1 
ATOM   316  N ND2   . ASN    A  1  42  ? 0.361   -11.261 16.043  1.00 62.71 42  A  1 
ATOM   317  N N     . PHE    A  1  43  ? -2.707  -13.086 20.385  1.00 81.82 43  A  1 
ATOM   318  C CA    . PHE    A  1  43  ? -2.917  -13.207 21.819  1.00 81.38 43  A  1 
ATOM   319  C C     . PHE    A  1  43  ? -1.930  -14.207 22.387  1.00 82.99 43  A  1 
ATOM   320  O O     . PHE    A  1  43  ? -1.345  -14.997 21.659  1.00 79.16 43  A  1 
ATOM   321  C CB    . PHE    A  1  43  ? -4.330  -13.704 22.120  1.00 76.68 43  A  1 
ATOM   322  C CG    . PHE    A  1  43  ? -5.422  -12.918 21.457  1.00 69.98 43  A  1 
ATOM   323  C CD1   . PHE    A  1  43  ? -5.912  -11.765 22.037  1.00 64.60 43  A  1 
ATOM   324  C CD2   . PHE    A  1  43  ? -5.957  -13.339 20.250  1.00 62.52 43  A  1 
ATOM   325  C CE1   . PHE    A  1  43  ? -6.925  -11.037 21.424  1.00 57.35 43  A  1 
ATOM   326  C CE2   . PHE    A  1  43  ? -6.972  -12.614 19.627  1.00 55.52 43  A  1 
ATOM   327  C CZ    . PHE    A  1  43  ? -7.454  -11.460 20.220  1.00 54.22 43  A  1 
ATOM   328  N N     . SER    A  1  44  ? -1.772  -14.176 23.696  1.00 80.97 44  A  1 
ATOM   329  C CA    . SER    A  1  44  ? -0.922  -15.149 24.357  1.00 80.95 44  A  1 
ATOM   330  C C     . SER    A  1  44  ? -1.528  -15.451 25.712  1.00 81.58 44  A  1 
ATOM   331  O O     . SER    A  1  44  ? -2.165  -14.590 26.322  1.00 77.88 44  A  1 
ATOM   332  C CB    . SER    A  1  44  ? 0.504   -14.631 24.518  1.00 77.41 44  A  1 
ATOM   333  O OG    . SER    A  1  44  ? 0.548   -13.520 25.382  1.00 65.97 44  A  1 
ATOM   334  N N     . ALA    A  1  45  ? -1.342  -16.673 26.159  1.00 82.64 45  A  1 
ATOM   335  C CA    . ALA    A  1  45  ? -1.897  -17.070 27.440  1.00 82.32 45  A  1 
ATOM   336  C C     . ALA    A  1  45  ? -1.213  -18.321 27.951  1.00 83.94 45  A  1 
ATOM   337  O O     . ALA    A  1  45  ? -0.739  -19.143 27.171  1.00 80.83 45  A  1 
ATOM   338  C CB    . ALA    A  1  45  ? -3.389  -17.317 27.316  1.00 78.77 45  A  1 
ATOM   339  N N     . ASN    A  1  46  ? -1.183  -18.451 29.261  1.00 84.34 46  A  1 
ATOM   340  C CA    . ASN    A  1  46  ? -0.634  -19.653 29.865  1.00 84.47 46  A  1 
ATOM   341  C C     . ASN    A  1  46  ? -1.787  -20.629 30.017  1.00 84.82 46  A  1 
ATOM   342  O O     . ASN    A  1  46  ? -2.820  -20.288 30.593  1.00 81.43 46  A  1 
ATOM   343  C CB    . ASN    A  1  46  ? -0.013  -19.345 31.221  1.00 82.12 46  A  1 
ATOM   344  C CG    . ASN    A  1  46  ? 1.270   -18.553 31.095  1.00 78.32 46  A  1 
ATOM   345  O OD1   . ASN    A  1  46  ? 2.069   -18.778 30.191  1.00 68.81 46  A  1 
ATOM   346  N ND2   . ASN    A  1  46  ? 1.479   -17.617 32.009  1.00 69.95 46  A  1 
ATOM   347  N N     . VAL    A  1  47  ? -1.607  -21.817 29.486  1.00 85.33 47  A  1 
ATOM   348  C CA    . VAL    A  1  47  ? -2.668  -22.815 29.504  1.00 85.33 47  A  1 
ATOM   349  C C     . VAL    A  1  47  ? -2.165  -24.123 30.092  1.00 85.25 47  A  1 
ATOM   350  O O     . VAL    A  1  47  ? -1.059  -24.561 29.795  1.00 82.56 47  A  1 
ATOM   351  C CB    . VAL    A  1  47  ? -3.196  -23.068 28.082  1.00 83.75 47  A  1 
ATOM   352  C CG1   . VAL    A  1  47  ? -4.322  -24.090 28.102  1.00 74.29 47  A  1 
ATOM   353  C CG2   . VAL    A  1  47  ? -3.672  -21.765 27.454  1.00 74.91 47  A  1 
ATOM   354  N N     . ALA    A  1  48  ? -3.002  -24.729 30.911  1.00 84.33 48  A  1 
ATOM   355  C CA    . ALA    A  1  48  ? -2.658  -26.009 31.507  1.00 83.83 48  A  1 
ATOM   356  C C     . ALA    A  1  48  ? -3.379  -27.123 30.765  1.00 83.59 48  A  1 
ATOM   357  O O     . ALA    A  1  48  ? -4.604  -27.115 30.662  1.00 80.05 48  A  1 
ATOM   358  C CB    . ALA    A  1  48  ? -3.042  -26.026 32.984  1.00 81.47 48  A  1 
ATOM   359  N N     . VAL    A  1  49  ? -2.610  -28.062 30.251  1.00 82.30 49  A  1 
ATOM   360  C CA    . VAL    A  1  49  ? -3.172  -29.201 29.535  1.00 81.46 49  A  1 
ATOM   361  C C     . VAL    A  1  49  ? -2.419  -30.449 29.976  1.00 81.19 49  A  1 
ATOM   362  O O     . VAL    A  1  49  ? -1.199  -30.519 29.859  1.00 77.47 49  A  1 
ATOM   363  C CB    . VAL    A  1  49  ? -3.051  -29.037 28.010  1.00 78.88 49  A  1 
ATOM   364  C CG1   . VAL    A  1  49  ? -3.573  -30.283 27.309  1.00 69.90 49  A  1 
ATOM   365  C CG2   . VAL    A  1  49  ? -3.822  -27.814 27.545  1.00 70.98 49  A  1 
ATOM   366  N N     . ASP    A  1  50  ? -3.164  -31.411 30.468  1.00 79.64 50  A  1 
ATOM   367  C CA    . ASP    A  1  50  ? -2.572  -32.666 30.935  1.00 79.53 50  A  1 
ATOM   368  C C     . ASP    A  1  50  ? -1.444  -32.435 31.941  1.00 79.97 50  A  1 
ATOM   369  O O     . ASP    A  1  50  ? -0.412  -33.102 31.904  1.00 74.65 50  A  1 
ATOM   370  C CB    . ASP    A  1  50  ? -2.056  -33.493 29.752  1.00 76.51 50  A  1 
ATOM   371  C CG    . ASP    A  1  50  ? -3.171  -33.954 28.828  1.00 71.17 50  A  1 
ATOM   372  O OD1   . ASP    A  1  50  ? -4.330  -34.027 29.281  1.00 64.00 50  A  1 
ATOM   373  O OD2   . ASP    A  1  50  ? -2.882  -34.250 27.653  1.00 64.07 50  A  1 
ATOM   374  N N     . GLY    A  1  51  ? -1.664  -31.492 32.829  1.00 81.42 51  A  1 
ATOM   375  C CA    . GLY    A  1  51  ? -0.671  -31.216 33.855  1.00 80.77 51  A  1 
ATOM   376  C C     . GLY    A  1  51  ? 0.511   -30.376 33.409  1.00 81.69 51  A  1 
ATOM   377  O O     . GLY    A  1  51  ? 1.385   -30.070 34.215  1.00 77.50 51  A  1 
ATOM   378  N N     . GLN    A  1  52  ? 0.542   -30.020 32.145  1.00 83.01 52  A  1 
ATOM   379  C CA    . GLN    A  1  52  ? 1.633   -29.198 31.632  1.00 82.66 52  A  1 
ATOM   380  C C     . GLN    A  1  52  ? 1.166   -27.765 31.443  1.00 83.53 52  A  1 
ATOM   381  O O     . GLN    A  1  52  ? 0.071   -27.525 30.941  1.00 80.54 52  A  1 
ATOM   382  C CB    . GLN    A  1  52  ? 2.139   -29.725 30.292  1.00 79.31 52  A  1 
ATOM   383  C CG    . GLN    A  1  52  ? 2.760   -31.103 30.347  1.00 70.85 52  A  1 
ATOM   384  C CD    . GLN    A  1  52  ? 3.363   -31.497 29.018  1.00 67.32 52  A  1 
ATOM   385  O OE1   . GLN    A  1  52  ? 4.268   -30.830 28.518  1.00 60.85 52  A  1 
ATOM   386  N NE2   . GLN    A  1  52  ? 2.861   -32.577 28.434  1.00 58.51 52  A  1 
ATOM   387  N N     . ILE    A  1  53  ? 2.014   -26.838 31.847  1.00 84.77 53  A  1 
ATOM   388  C CA    . ILE    A  1  53  ? 1.702   -25.431 31.647  1.00 84.74 53  A  1 
ATOM   389  C C     . ILE    A  1  53  ? 2.470   -24.968 30.417  1.00 85.14 53  A  1 
ATOM   390  O O     . ILE    A  1  53  ? 3.697   -25.043 30.383  1.00 81.50 53  A  1 
ATOM   391  C CB    . ILE    A  1  53  ? 2.125   -24.577 32.856  1.00 82.08 53  A  1 
ATOM   392  C CG1   . ILE    A  1  53  ? 1.495   -25.114 34.150  1.00 71.71 53  A  1 
ATOM   393  C CG2   . ILE    A  1  53  ? 1.725   -23.123 32.629  1.00 68.69 53  A  1 
ATOM   394  C CD1   . ILE    A  1  53  ? -0.012  -25.099 34.161  1.00 62.28 53  A  1 
ATOM   395  N N     . VAL    A  1  54  ? 1.741   -24.507 29.430  1.00 85.33 54  A  1 
ATOM   396  C CA    . VAL    A  1  54  ? 2.384   -24.033 28.213  1.00 85.83 54  A  1 
ATOM   397  C C     . VAL    A  1  54  ? 1.977   -22.598 27.932  1.00 86.06 54  A  1 
ATOM   398  O O     . VAL    A  1  54  ? 0.883   -22.168 28.292  1.00 83.73 54  A  1 
ATOM   399  C CB    . VAL    A  1  54  ? 2.029   -24.904 26.991  1.00 84.20 54  A  1 
ATOM   400  C CG1   . VAL    A  1  54  ? 2.391   -26.358 27.255  1.00 74.22 54  A  1 
ATOM   401  C CG2   . VAL    A  1  54  ? 0.551   -24.781 26.644  1.00 75.22 54  A  1 
ATOM   402  N N     . ASN    A  1  55  ? 2.872   -21.883 27.291  1.00 87.96 55  A  1 
ATOM   403  C CA    . ASN    A  1  55  ? 2.578   -20.518 26.891  1.00 88.31 55  A  1 
ATOM   404  C C     . ASN    A  1  55  ? 2.028   -20.630 25.477  1.00 88.60 55  A  1 
ATOM   405  O O     . ASN    A  1  55  ? 2.773   -20.899 24.536  1.00 86.09 55  A  1 
ATOM   406  C CB    . ASN    A  1  55  ? 3.846   -19.669 26.920  1.00 85.93 55  A  1 
ATOM   407  C CG    . ASN    A  1  55  ? 3.557   -18.195 26.721  1.00 78.74 55  A  1 
ATOM   408  O OD1   . ASN    A  1  55  ? 2.669   -17.819 25.963  1.00 68.07 55  A  1 
ATOM   409  N ND2   . ASN    A  1  55  ? 4.311   -17.350 27.405  1.00 68.92 55  A  1 
ATOM   410  N N     . LEU    A  1  56  ? 0.734   -20.461 25.353  1.00 87.84 56  A  1 
ATOM   411  C CA    . LEU    A  1  56  ? 0.079   -20.612 24.062  1.00 88.58 56  A  1 
ATOM   412  C C     . LEU    A  1  56  ? -0.058  -19.282 23.341  1.00 88.41 56  A  1 
ATOM   413  O O     . LEU    A  1  56  ? -0.727  -18.371 23.820  1.00 85.75 56  A  1 
ATOM   414  C CB    . LEU    A  1  56  ? -1.304  -21.234 24.250  1.00 87.46 56  A  1 
ATOM   415  C CG    . LEU    A  1  56  ? -2.134  -21.468 22.981  1.00 86.34 56  A  1 
ATOM   416  C CD1   . LEU    A  1  56  ? -1.456  -22.479 22.081  1.00 79.34 56  A  1 
ATOM   417  C CD2   . LEU    A  1  56  ? -3.532  -21.945 23.357  1.00 79.93 56  A  1 
ATOM   418  N N     . GLY    A  1  57  ? 0.573   -19.199 22.180  1.00 90.71 57  A  1 
ATOM   419  C CA    . GLY    A  1  57  ? 0.458   -18.015 21.363  1.00 90.77 57  A  1 
ATOM   420  C C     . GLY    A  1  57  ? -0.653  -18.252 20.364  1.00 91.24 57  A  1 
ATOM   421  O O     . GLY    A  1  57  ? -0.617  -19.225 19.617  1.00 89.00 57  A  1 
ATOM   422  N N     . LEU    A  1  58  ? -1.635  -17.371 20.371  1.00 89.09 58  A  1 
ATOM   423  C CA    . LEU    A  1  58  ? -2.768  -17.501 19.466  1.00 88.98 58  A  1 
ATOM   424  C C     . LEU    A  1  58  ? -2.682  -16.429 18.392  1.00 88.48 58  A  1 
ATOM   425  O O     . LEU    A  1  58  ? -2.773  -15.240 18.690  1.00 85.35 58  A  1 
ATOM   426  C CB    . LEU    A  1  58  ? -4.080  -17.362 20.238  1.00 87.70 58  A  1 
ATOM   427  C CG    . LEU    A  1  58  ? -4.325  -18.416 21.320  1.00 86.14 58  A  1 
ATOM   428  C CD1   . LEU    A  1  58  ? -5.539  -18.046 22.156  1.00 80.69 58  A  1 
ATOM   429  C CD2   . LEU    A  1  58  ? -4.517  -19.781 20.679  1.00 81.50 58  A  1 
ATOM   430  N N     . TRP    A  1  59  ? -2.510  -16.874 17.161  1.00 90.60 59  A  1 
ATOM   431  C CA    . TRP    A  1  59  ? -2.385  -15.952 16.039  1.00 90.50 59  A  1 
ATOM   432  C C     . TRP    A  1  59  ? -3.633  -16.003 15.178  1.00 90.07 59  A  1 
ATOM   433  O O     . TRP    A  1  59  ? -3.952  -17.040 14.598  1.00 86.49 59  A  1 
ATOM   434  C CB    . TRP    A  1  59  ? -1.165  -16.305 15.195  1.00 89.34 59  A  1 
ATOM   435  C CG    . TRP    A  1  59  ? 0.129   -16.129 15.917  1.00 87.23 59  A  1 
ATOM   436  C CD1   . TRP    A  1  59  ? 0.531   -16.775 17.052  1.00 76.99 59  A  1 
ATOM   437  C CD2   . TRP    A  1  59  ? 1.199   -15.242 15.572  1.00 82.79 59  A  1 
ATOM   438  N NE1   . TRP    A  1  59  ? 1.776   -16.340 17.436  1.00 77.81 59  A  1 
ATOM   439  C CE2   . TRP    A  1  59  ? 2.214   -15.402 16.543  1.00 81.14 59  A  1 
ATOM   440  C CE3   . TRP    A  1  59  ? 1.397   -14.327 14.534  1.00 76.36 59  A  1 
ATOM   441  C CZ2   . TRP    A  1  59  ? 3.408   -14.683 16.502  1.00 79.77 59  A  1 
ATOM   442  C CZ3   . TRP    A  1  59  ? 2.584   -13.614 14.493  1.00 70.35 59  A  1 
ATOM   443  C CH2   . TRP    A  1  59  ? 3.575   -13.793 15.468  1.00 72.55 59  A  1 
ATOM   444  N N     . ASP    A  1  60  ? -4.298  -14.876 15.098  1.00 87.79 60  A  1 
ATOM   445  C CA    . ASP    A  1  60  ? -5.484  -14.779 14.267  1.00 87.27 60  A  1 
ATOM   446  C C     . ASP    A  1  60  ? -5.043  -14.303 12.884  1.00 87.01 60  A  1 
ATOM   447  O O     . ASP    A  1  60  ? -3.991  -13.686 12.748  1.00 82.80 60  A  1 
ATOM   448  C CB    . ASP    A  1  60  ? -6.469  -13.784 14.882  1.00 85.14 60  A  1 
ATOM   449  C CG    . ASP    A  1  60  ? -7.894  -13.966 14.387  1.00 83.60 60  A  1 
ATOM   450  O OD1   . ASP    A  1  60  ? -8.126  -14.833 13.519  1.00 77.44 60  A  1 
ATOM   451  O OD2   . ASP    A  1  60  ? -8.786  -13.248 14.887  1.00 78.20 60  A  1 
ATOM   452  N N     . THR    A  1  61  ? -5.843  -14.600 11.880  1.00 87.82 61  A  1 
ATOM   453  C CA    . THR    A  1  61  ? -5.541  -14.154 10.522  1.00 87.17 61  A  1 
ATOM   454  C C     . THR    A  1  61  ? -6.850  -13.752 9.863   1.00 86.34 61  A  1 
ATOM   455  O O     . THR    A  1  61  ? -7.931  -14.106 10.332  1.00 81.43 61  A  1 
ATOM   456  C CB    . THR    A  1  61  ? -4.880  -15.252 9.664   1.00 85.75 61  A  1 
ATOM   457  O OG1   . THR    A  1  61  ? -5.790  -16.342 9.475   1.00 76.46 61  A  1 
ATOM   458  C CG2   . THR    A  1  61  ? -3.595  -15.763 10.300  1.00 76.07 61  A  1 
ATOM   459  N N     . ALA    A  1  62  ? -6.738  -13.022 8.777   1.00 86.96 62  A  1 
ATOM   460  C CA    . ALA    A  1  62  ? -7.926  -12.607 8.045   1.00 86.24 62  A  1 
ATOM   461  C C     . ALA    A  1  62  ? -8.192  -13.607 6.932   1.00 86.14 62  A  1 
ATOM   462  O O     . ALA    A  1  62  ? -7.272  -14.002 6.217   1.00 81.64 62  A  1 
ATOM   463  C CB    . ALA    A  1  62  ? -7.732  -11.216 7.466   1.00 83.34 62  A  1 
ATOM   464  N N     . GLY    A  1  63  ? -9.439  -14.004 6.797   1.00 85.67 63  A  1 
ATOM   465  C CA    . GLY    A  1  63  ? -9.788  -14.992 5.791   1.00 85.44 63  A  1 
ATOM   466  C C     . GLY    A  1  63  ? -10.051 -14.456 4.401   1.00 86.12 63  A  1 
ATOM   467  O O     . GLY    A  1  63  ? -10.120 -15.229 3.447   1.00 81.96 63  A  1 
ATOM   468  N N     . GLN    A  1  64  ? -10.192 -13.161 4.278   1.00 86.66 64  A  1 
ATOM   469  C CA    . GLN    A  1  64  ? -10.497 -12.559 2.983   1.00 86.37 64  A  1 
ATOM   470  C C     . GLN    A  1  64  ? -9.358  -12.728 1.984   1.00 86.79 64  A  1 
ATOM   471  O O     . GLN    A  1  64  ? -8.184  -12.719 2.349   1.00 83.21 64  A  1 
ATOM   472  C CB    . GLN    A  1  64  ? -10.818 -11.072 3.137   1.00 84.04 64  A  1 
ATOM   473  C CG    . GLN    A  1  64  ? -12.137 -10.762 3.848   1.00 77.54 64  A  1 
ATOM   474  C CD    . GLN    A  1  64  ? -12.087 -10.967 5.347   1.00 74.47 64  A  1 
ATOM   475  O OE1   . GLN    A  1  64  ? -11.022 -11.170 5.932   1.00 66.91 64  A  1 
ATOM   476  N NE2   . GLN    A  1  64  ? -13.251 -10.908 5.990   1.00 63.96 64  A  1 
ATOM   477  N N     . GLU    A  1  65  ? -9.736  -12.858 0.729   1.00 85.32 65  A  1 
ATOM   478  C CA    . GLU    A  1  65  ? -8.764  -13.042 -0.346  1.00 84.78 65  A  1 
ATOM   479  C C     . GLU    A  1  65  ? -7.765  -11.888 -0.418  1.00 85.16 65  A  1 
ATOM   480  O O     . GLU    A  1  65  ? -6.617  -12.080 -0.809  1.00 80.87 65  A  1 
ATOM   481  C CB    . GLU    A  1  65  ? -9.494  -13.184 -1.685  1.00 82.32 65  A  1 
ATOM   482  C CG    . GLU    A  1  65  ? -8.600  -13.539 -2.862  1.00 72.42 65  A  1 
ATOM   483  C CD    . GLU    A  1  65  ? -7.982  -14.920 -2.737  1.00 65.90 65  A  1 
ATOM   484  O OE1   . GLU    A  1  65  ? -8.515  -15.759 -1.977  1.00 59.99 65  A  1 
ATOM   485  O OE2   . GLU    A  1  65  ? -6.959  -15.170 -3.405  1.00 58.52 65  A  1 
ATOM   486  N N     . ASP    A  1  66  ? -8.208  -10.717 -0.029  1.00 84.51 66  A  1 
ATOM   487  C CA    . ASP    A  1  66  ? -7.341  -9.540  -0.082  1.00 84.00 66  A  1 
ATOM   488  C C     . ASP    A  1  66  ? -6.083  -9.671  0.775   1.00 84.58 66  A  1 
ATOM   489  O O     . ASP    A  1  66  ? -5.105  -8.964  0.543   1.00 81.28 66  A  1 
ATOM   490  C CB    . ASP    A  1  66  ? -8.108  -8.288  0.350   1.00 81.42 66  A  1 
ATOM   491  C CG    . ASP    A  1  66  ? -9.139  -7.847  -0.675  1.00 75.35 66  A  1 
ATOM   492  O OD1   . ASP    A  1  66  ? -9.105  -8.342  -1.818  1.00 67.94 66  A  1 
ATOM   493  O OD2   . ASP    A  1  66  ? -9.977  -6.996  -0.330  1.00 67.77 66  A  1 
ATOM   494  N N     . TYR    A  1  67  ? -6.118  -10.550 1.754   1.00 84.61 67  A  1 
ATOM   495  C CA    . TYR    A  1  67  ? -4.979  -10.713 2.650   1.00 84.78 67  A  1 
ATOM   496  C C     . TYR    A  1  67  ? -4.107  -11.918 2.313   1.00 85.38 67  A  1 
ATOM   497  O O     . TYR    A  1  67  ? -3.247  -12.301 3.108   1.00 81.39 67  A  1 
ATOM   498  C CB    . TYR    A  1  67  ? -5.462  -10.814 4.098   1.00 82.13 67  A  1 
ATOM   499  C CG    . TYR    A  1  67  ? -6.172  -9.569  4.575   1.00 79.47 67  A  1 
ATOM   500  C CD1   . TYR    A  1  67  ? -7.533  -9.399  4.372   1.00 73.41 67  A  1 
ATOM   501  C CD2   . TYR    A  1  67  ? -5.473  -8.546  5.206   1.00 73.16 67  A  1 
ATOM   502  C CE1   . TYR    A  1  67  ? -8.183  -8.246  4.781   1.00 70.91 67  A  1 
ATOM   503  C CE2   . TYR    A  1  67  ? -6.115  -7.387  5.623   1.00 69.60 67  A  1 
ATOM   504  C CZ    . TYR    A  1  67  ? -7.470  -7.244  5.406   1.00 71.70 67  A  1 
ATOM   505  O OH    . TYR    A  1  67  ? -8.110  -6.097  5.815   1.00 68.78 67  A  1 
ATOM   506  N N     . SER    A  1  68  ? -4.317  -12.488 1.152   1.00 87.19 68  A  1 
ATOM   507  C CA    . SER    A  1  68  ? -3.563  -13.678 0.768   1.00 86.69 68  A  1 
ATOM   508  C C     . SER    A  1  68  ? -2.051  -13.466 0.735   1.00 87.02 68  A  1 
ATOM   509  O O     . SER    A  1  68  ? -1.296  -14.409 0.960   1.00 83.44 68  A  1 
ATOM   510  C CB    . SER    A  1  68  ? -4.037  -14.193 -0.591  1.00 84.83 68  A  1 
ATOM   511  O OG    . SER    A  1  68  ? -3.808  -13.242 -1.606  1.00 73.64 68  A  1 
ATOM   512  N N     . ARG    A  1  69  ? -1.620  -12.257 0.475   1.00 86.83 69  A  1 
ATOM   513  C CA    . ARG    A  1  69  ? -0.184  -12.002 0.430   1.00 86.56 69  A  1 
ATOM   514  C C     . ARG    A  1  69  ? 0.396   -11.590 1.782   1.00 86.98 69  A  1 
ATOM   515  O O     . ARG    A  1  69  ? 1.610   -11.547 1.945   1.00 83.28 69  A  1 
ATOM   516  C CB    . ARG    A  1  69  ? 0.136   -10.944 -0.622  1.00 84.81 69  A  1 
ATOM   517  C CG    . ARG    A  1  69  ? -0.079  -11.447 -2.040  1.00 77.80 69  A  1 
ATOM   518  C CD    . ARG    A  1  69  ? 0.297   -10.416 -3.074  1.00 74.85 69  A  1 
ATOM   519  N NE    . ARG    A  1  69  ? 0.179   -10.956 -4.428  1.00 65.62 69  A  1 
ATOM   520  C CZ    . ARG    A  1  69  ? 0.402   -10.261 -5.536  1.00 59.76 69  A  1 
ATOM   521  N NH1   . ARG    A  1  69  ? 0.763   -8.987  -5.466  1.00 53.23 69  A  1 
ATOM   522  N NH2   . ARG    A  1  69  ? 0.267   -10.841 -6.719  1.00 52.83 69  A  1 
ATOM   523  N N     . LEU    A  1  70  ? -0.464  -11.303 2.728   1.00 85.98 70  A  1 
ATOM   524  C CA    . LEU    A  1  70  ? -0.010  -10.900 4.057   1.00 85.87 70  A  1 
ATOM   525  C C     . LEU    A  1  70  ? -0.138  -12.037 5.062   1.00 86.23 70  A  1 
ATOM   526  O O     . LEU    A  1  70  ? 0.719   -12.208 5.932   1.00 82.82 70  A  1 
ATOM   527  C CB    . LEU    A  1  70  ? -0.824  -9.707  4.562   1.00 83.28 70  A  1 
ATOM   528  C CG    . LEU    A  1  70  ? -0.735  -8.413  3.755   1.00 77.68 70  A  1 
ATOM   529  C CD1   . LEU    A  1  70  ? -1.674  -7.374  4.343   1.00 71.50 70  A  1 
ATOM   530  C CD2   . LEU    A  1  70  ? 0.691   -7.894  3.737   1.00 70.69 70  A  1 
ATOM   531  N N     . ARG    A  1  71  ? -1.186  -12.774 4.938   1.00 85.95 71  A  1 
ATOM   532  C CA    . ARG    A  1  71  ? -1.496  -13.875 5.848   1.00 86.16 71  A  1 
ATOM   533  C C     . ARG    A  1  71  ? -0.324  -14.844 6.091   1.00 86.44 71  A  1 
ATOM   534  O O     . ARG    A  1  71  ? -0.067  -15.214 7.237   1.00 84.06 71  A  1 
ATOM   535  C CB    . ARG    A  1  71  ? -2.708  -14.624 5.302   1.00 84.31 71  A  1 
ATOM   536  C CG    . ARG    A  1  71  ? -3.320  -15.627 6.241   1.00 78.98 71  A  1 
ATOM   537  C CD    . ARG    A  1  71  ? -4.421  -16.400 5.536   1.00 80.20 71  A  1 
ATOM   538  N NE    . ARG    A  1  71  ? -5.389  -15.493 4.907   1.00 78.46 71  A  1 
ATOM   539  C CZ    . ARG    A  1  71  ? -5.674  -15.453 3.603   1.00 80.04 71  A  1 
ATOM   540  N NH1   . ARG    A  1  71  ? -5.084  -16.278 2.744   1.00 70.40 71  A  1 
ATOM   541  N NH2   . ARG    A  1  71  ? -6.564  -14.584 3.150   1.00 73.85 71  A  1 
ATOM   542  N N     . PRO    A  1  72  ? 0.388   -15.244 5.038   1.00 87.78 72  A  1 
ATOM   543  C CA    . PRO    A  1  72  ? 1.490   -16.194 5.268   1.00 88.11 72  A  1 
ATOM   544  C C     . PRO    A  1  72  ? 2.590   -15.668 6.183   1.00 88.62 72  A  1 
ATOM   545  O O     . PRO    A  1  72  ? 3.395   -16.455 6.682   1.00 85.83 72  A  1 
ATOM   546  C CB    . PRO    A  1  72  ? 2.025   -16.452 3.862   1.00 86.16 72  A  1 
ATOM   547  C CG    . PRO    A  1  72  ? 0.839   -16.238 2.987   1.00 83.76 72  A  1 
ATOM   548  C CD    . PRO    A  1  72  ? 0.135   -15.065 3.609   1.00 86.71 72  A  1 
ATOM   549  N N     . LEU    A  1  73  ? 2.619   -14.380 6.419   1.00 87.90 73  A  1 
ATOM   550  C CA    . LEU    A  1  73  ? 3.618   -13.819 7.320   1.00 87.54 73  A  1 
ATOM   551  C C     . LEU    A  1  73  ? 3.444   -14.384 8.728   1.00 87.72 73  A  1 
ATOM   552  O O     . LEU    A  1  73  ? 4.403   -14.443 9.496   1.00 84.69 73  A  1 
ATOM   553  C CB    . LEU    A  1  73  ? 3.508   -12.294 7.368   1.00 86.11 73  A  1 
ATOM   554  C CG    . LEU    A  1  73  ? 3.808   -11.542 6.065   1.00 82.80 73  A  1 
ATOM   555  C CD1   . LEU    A  1  73  ? 3.528   -10.061 6.239   1.00 76.10 73  A  1 
ATOM   556  C CD2   . LEU    A  1  73  ? 5.252   -11.765 5.644   1.00 75.73 73  A  1 
ATOM   557  N N     . SER    A  1  74  ? 2.233   -14.781 9.048   1.00 87.53 74  A  1 
ATOM   558  C CA    . SER    A  1  74  ? 1.951   -15.343 10.366  1.00 87.10 74  A  1 
ATOM   559  C C     . SER    A  1  74  ? 2.306   -16.825 10.462  1.00 87.78 74  A  1 
ATOM   560  O O     . SER    A  1  74  ? 2.307   -17.385 11.557  1.00 85.39 74  A  1 
ATOM   561  C CB    . SER    A  1  74  ? 0.473   -15.171 10.718  1.00 85.20 74  A  1 
ATOM   562  O OG    . SER    A  1  74  ? 0.132   -13.802 10.838  1.00 76.72 74  A  1 
ATOM   563  N N     . TYR    A  1  75  ? 2.590   -17.445 9.341   1.00 87.84 75  A  1 
ATOM   564  C CA    . TYR    A  1  75  ? 2.848   -18.880 9.335   1.00 88.27 75  A  1 
ATOM   565  C C     . TYR    A  1  75  ? 4.251   -19.265 9.796   1.00 88.21 75  A  1 
ATOM   566  O O     . TYR    A  1  75  ? 4.482   -20.417 10.153  1.00 84.38 75  A  1 
ATOM   567  C CB    . TYR    A  1  75  ? 2.626   -19.460 7.938   1.00 87.16 75  A  1 
ATOM   568  C CG    . TYR    A  1  75  ? 1.223   -19.314 7.382   1.00 87.14 75  A  1 
ATOM   569  C CD1   . TYR    A  1  75  ? 0.164   -18.884 8.169   1.00 80.86 75  A  1 
ATOM   570  C CD2   . TYR    A  1  75  ? 0.964   -19.632 6.053   1.00 81.59 75  A  1 
ATOM   571  C CE1   . TYR    A  1  75  ? -1.116  -18.756 7.649   1.00 80.73 75  A  1 
ATOM   572  C CE2   . TYR    A  1  75  ? -0.306  -19.515 5.522   1.00 80.46 75  A  1 
ATOM   573  C CZ    . TYR    A  1  75  ? -1.345  -19.072 6.319   1.00 83.95 75  A  1 
ATOM   574  O OH    . TYR    A  1  75  ? -2.610  -18.945 5.795   1.00 82.62 75  A  1 
ATOM   575  N N     . ARG    A  1  76  ? 5.161   -18.322 9.775   1.00 88.98 76  A  1 
ATOM   576  C CA    . ARG    A  1  76  ? 6.526   -18.630 10.172  1.00 88.41 76  A  1 
ATOM   577  C C     . ARG    A  1  76  ? 6.576   -19.056 11.634  1.00 88.70 76  A  1 
ATOM   578  O O     . ARG    A  1  76  ? 6.071   -18.362 12.515  1.00 85.34 76  A  1 
ATOM   579  C CB    . ARG    A  1  76  ? 7.437   -17.420 9.961   1.00 86.58 76  A  1 
ATOM   580  C CG    . ARG    A  1  76  ? 7.634   -17.054 8.500   1.00 77.47 76  A  1 
ATOM   581  C CD    . ARG    A  1  76  ? 8.554   -15.858 8.345   1.00 74.16 76  A  1 
ATOM   582  N NE    . ARG    A  1  76  ? 8.729   -15.472 6.939   1.00 65.22 76  A  1 
ATOM   583  C CZ    . ARG    A  1  76  ? 9.550   -16.080 6.088   1.00 58.58 76  A  1 
ATOM   584  N NH1   . ARG    A  1  76  ? 10.294  -17.105 6.485   1.00 51.89 76  A  1 
ATOM   585  N NH2   . ARG    A  1  76  ? 9.631   -15.663 4.836   1.00 51.83 76  A  1 
ATOM   586  N N     . GLY    A  1  77  ? 7.180   -20.195 11.869  1.00 88.60 77  A  1 
ATOM   587  C CA    . GLY    A  1  77  ? 7.307   -20.698 13.221  1.00 88.96 77  A  1 
ATOM   588  C C     . GLY    A  1  77  ? 6.061   -21.344 13.795  1.00 90.24 77  A  1 
ATOM   589  O O     . GLY    A  1  77  ? 6.047   -21.711 14.967  1.00 87.15 77  A  1 
ATOM   590  N N     . ALA    A  1  78  ? 5.031   -21.484 12.985  1.00 89.18 78  A  1 
ATOM   591  C CA    . ALA    A  1  78  ? 3.797   -22.085 13.481  1.00 89.80 78  A  1 
ATOM   592  C C     . ALA    A  1  78  ? 4.035   -23.525 13.927  1.00 89.76 78  A  1 
ATOM   593  O O     . ALA    A  1  78  ? 4.712   -24.293 13.242  1.00 86.92 78  A  1 
ATOM   594  C CB    . ALA    A  1  78  ? 2.719   -22.052 12.409  1.00 88.94 78  A  1 
ATOM   595  N N     . ASP    A  1  79  ? 3.481   -23.865 15.079  1.00 90.71 79  A  1 
ATOM   596  C CA    . ASP    A  1  79  ? 3.587   -25.230 15.589  1.00 90.39 79  A  1 
ATOM   597  C C     . ASP    A  1  79  ? 2.355   -26.033 15.204  1.00 90.79 79  A  1 
ATOM   598  O O     . ASP    A  1  79  ? 2.414   -27.255 15.101  1.00 88.17 79  A  1 
ATOM   599  C CB    . ASP    A  1  79  ? 3.740   -25.214 17.107  1.00 88.71 79  A  1 
ATOM   600  C CG    . ASP    A  1  79  ? 5.050   -24.599 17.548  1.00 86.87 79  A  1 
ATOM   601  O OD1   . ASP    A  1  79  ? 6.105   -25.046 17.059  1.00 78.96 79  A  1 
ATOM   602  O OD2   . ASP    A  1  79  ? 5.021   -23.669 18.377  1.00 78.66 79  A  1 
ATOM   603  N N     . ILE    A  1  80  ? 1.266   -25.334 15.009  1.00 90.96 80  A  1 
ATOM   604  C CA    . ILE    A  1  80  ? 0.030   -25.994 14.612  1.00 91.86 80  A  1 
ATOM   605  C C     . ILE    A  1  80  ? -0.934  -24.988 14.002  1.00 91.77 80  A  1 
ATOM   606  O O     . ILE    A  1  80  ? -0.946  -23.812 14.376  1.00 89.47 80  A  1 
ATOM   607  C CB    . ILE    A  1  80  ? -0.627  -26.703 15.815  1.00 90.91 80  A  1 
ATOM   608  C CG1   . ILE    A  1  80  ? -1.809  -27.562 15.346  1.00 82.32 80  A  1 
ATOM   609  C CG2   . ILE    A  1  80  ? -1.081  -25.686 16.865  1.00 82.63 80  A  1 
ATOM   610  C CD1   . ILE    A  1  80  ? -2.183  -28.652 16.305  1.00 79.54 80  A  1 
ATOM   611  N N     . PHE    A  1  81  ? -1.722  -25.469 13.061  1.00 91.63 81  A  1 
ATOM   612  C CA    . PHE    A  1  81  ? -2.745  -24.639 12.437  1.00 91.98 81  A  1 
ATOM   613  C C     . PHE    A  1  81  ? -4.116  -25.098 12.894  1.00 92.24 81  A  1 
ATOM   614  O O     . PHE    A  1  81  ? -4.378  -26.299 12.983  1.00 90.46 81  A  1 
ATOM   615  C CB    . PHE    A  1  81  ? -2.705  -24.759 10.913  1.00 91.22 81  A  1 
ATOM   616  C CG    . PHE    A  1  81  ? -1.552  -24.050 10.269  1.00 90.54 81  A  1 
ATOM   617  C CD1   . PHE    A  1  81  ? -1.509  -22.665 10.242  1.00 85.22 81  A  1 
ATOM   618  C CD2   . PHE    A  1  81  ? -0.525  -24.765 9.673   1.00 84.73 81  A  1 
ATOM   619  C CE1   . PHE    A  1  81  ? -0.451  -22.003 9.635   1.00 83.79 81  A  1 
ATOM   620  C CE2   . PHE    A  1  81  ? 0.533   -24.108 9.064   1.00 82.97 81  A  1 
ATOM   621  C CZ    . PHE    A  1  81  ? 0.571   -22.725 9.046   1.00 86.61 81  A  1 
ATOM   622  N N     . VAL    A  1  82  ? -4.972  -24.140 13.152  1.00 91.71 82  A  1 
ATOM   623  C CA    . VAL    A  1  82  ? -6.374  -24.431 13.415  1.00 92.05 82  A  1 
ATOM   624  C C     . VAL    A  1  82  ? -7.058  -23.940 12.149  1.00 91.81 82  A  1 
ATOM   625  O O     . VAL    A  1  82  ? -7.147  -22.734 11.908  1.00 89.57 82  A  1 
ATOM   626  C CB    . VAL    A  1  82  ? -6.903  -23.682 14.656  1.00 91.00 82  A  1 
ATOM   627  C CG1   . VAL    A  1  82  ? -8.425  -23.753 14.707  1.00 83.04 82  A  1 
ATOM   628  C CG2   . VAL    A  1  82  ? -6.312  -24.296 15.919  1.00 83.25 82  A  1 
ATOM   629  N N     . LEU    A  1  83  ? -7.494  -24.884 11.342  1.00 92.16 83  A  1 
ATOM   630  C CA    . LEU    A  1  83  ? -8.118  -24.554 10.067  1.00 92.63 83  A  1 
ATOM   631  C C     . LEU    A  1  83  ? -9.628  -24.617 10.240  1.00 92.78 83  A  1 
ATOM   632  O O     . LEU    A  1  83  ? -10.192 -25.688 10.456  1.00 90.49 83  A  1 
ATOM   633  C CB    . LEU    A  1  83  ? -7.644  -25.535 8.994   1.00 91.14 83  A  1 
ATOM   634  C CG    . LEU    A  1  83  ? -8.257  -25.458 7.593   1.00 89.08 83  A  1 
ATOM   635  C CD1   . LEU    A  1  83  ? -8.258  -24.041 7.059   1.00 80.49 83  A  1 
ATOM   636  C CD2   . LEU    A  1  83  ? -7.472  -26.376 6.659   1.00 81.54 83  A  1 
ATOM   637  N N     . ALA    A  1  84  ? -10.259 -23.474 10.148  1.00 92.75 84  A  1 
ATOM   638  C CA    . ALA    A  1  84  ? -11.687 -23.384 10.409  1.00 93.14 84  A  1 
ATOM   639  C C     . ALA    A  1  84  ? -12.544 -23.175 9.174   1.00 92.90 84  A  1 
ATOM   640  O O     . ALA    A  1  84  ? -12.144 -22.492 8.228   1.00 89.73 84  A  1 
ATOM   641  C CB    . ALA    A  1  84  ? -11.953 -22.260 11.404  1.00 91.62 84  A  1 
ATOM   642  N N     . PHE    A  1  85  ? -13.712 -23.756 9.210   1.00 92.44 85  A  1 
ATOM   643  C CA    . PHE    A  1  85  ? -14.727 -23.526 8.191   1.00 92.62 85  A  1 
ATOM   644  C C     . PHE    A  1  85  ? -16.044 -23.451 8.953   1.00 92.38 85  A  1 
ATOM   645  O O     . PHE    A  1  85  ? -16.161 -23.978 10.063  1.00 90.35 85  A  1 
ATOM   646  C CB    . PHE    A  1  85  ? -14.765 -24.647 7.141   1.00 92.03 85  A  1 
ATOM   647  C CG    . PHE    A  1  85  ? -15.288 -25.964 7.647   1.00 92.32 85  A  1 
ATOM   648  C CD1   . PHE    A  1  85  ? -14.420 -26.905 8.185   1.00 85.78 85  A  1 
ATOM   649  C CD2   . PHE    A  1  85  ? -16.639 -26.268 7.570   1.00 85.71 85  A  1 
ATOM   650  C CE1   . PHE    A  1  85  ? -14.897 -28.122 8.653   1.00 86.16 85  A  1 
ATOM   651  C CE2   . PHE    A  1  85  ? -17.125 -27.484 8.039   1.00 85.45 85  A  1 
ATOM   652  C CZ    . PHE    A  1  85  ? -16.251 -28.411 8.582   1.00 89.24 85  A  1 
ATOM   653  N N     . SER    A  1  86  ? -17.022 -22.804 8.362   1.00 93.17 86  A  1 
ATOM   654  C CA    . SER    A  1  86  ? -18.313 -22.685 9.026   1.00 92.79 86  A  1 
ATOM   655  C C     . SER    A  1  86  ? -19.227 -23.833 8.625   1.00 92.63 86  A  1 
ATOM   656  O O     . SER    A  1  86  ? -19.363 -24.146 7.443   1.00 90.40 86  A  1 
ATOM   657  C CB    . SER    A  1  86  ? -18.974 -21.358 8.671   1.00 91.18 86  A  1 
ATOM   658  O OG    . SER    A  1  86  ? -20.305 -21.313 9.150   1.00 81.65 86  A  1 
ATOM   659  N N     . LEU    A  1  87  ? -19.857 -24.424 9.606   1.00 91.71 87  A  1 
ATOM   660  C CA    . LEU    A  1  87  ? -20.770 -25.533 9.356   1.00 91.71 87  A  1 
ATOM   661  C C     . LEU    A  1  87  ? -22.003 -25.109 8.565   1.00 90.99 87  A  1 
ATOM   662  O O     . LEU    A  1  87  ? -22.742 -25.961 8.077   1.00 88.20 87  A  1 
ATOM   663  C CB    . LEU    A  1  87  ? -21.188 -26.168 10.682  1.00 91.09 87  A  1 
ATOM   664  C CG    . LEU    A  1  87  ? -20.060 -26.892 11.422  1.00 90.24 87  A  1 
ATOM   665  C CD1   . LEU    A  1  87  ? -20.452 -27.169 12.868  1.00 85.07 87  A  1 
ATOM   666  C CD2   . LEU    A  1  87  ? -19.722 -28.196 10.709  1.00 85.40 87  A  1 
ATOM   667  N N     . ILE    A  1  88  ? -22.206 -23.823 8.440   1.00 91.10 88  A  1 
ATOM   668  C CA    . ILE    A  1  88  ? -23.345 -23.326 7.673   1.00 90.41 88  A  1 
ATOM   669  C C     . ILE    A  1  88  ? -22.920 -22.689 6.354   1.00 90.32 88  A  1 
ATOM   670  O O     . ILE    A  1  88  ? -23.728 -22.037 5.688   1.00 86.51 88  A  1 
ATOM   671  C CB    . ILE    A  1  88  ? -24.178 -22.312 8.484   1.00 88.34 88  A  1 
ATOM   672  C CG1   . ILE    A  1  88  ? -23.351 -21.066 8.794   1.00 79.04 88  A  1 
ATOM   673  C CG2   . ILE    A  1  88  ? -24.696 -22.959 9.761   1.00 75.42 88  A  1 
ATOM   674  C CD1   . ILE    A  1  88  ? -24.166 -19.892 9.290   1.00 71.38 88  A  1 
ATOM   675  N N     . SER    A  1  89  ? -21.670 -22.872 5.988   1.00 90.83 89  A  1 
ATOM   676  C CA    . SER    A  1  89  ? -21.164 -22.298 4.746   1.00 90.60 89  A  1 
ATOM   677  C C     . SER    A  1  89  ? -20.482 -23.358 3.891   1.00 91.02 89  A  1 
ATOM   678  O O     . SER    A  1  89  ? -19.346 -23.749 4.161   1.00 89.22 89  A  1 
ATOM   679  C CB    . SER    A  1  89  ? -20.185 -21.168 5.032   1.00 89.08 89  A  1 
ATOM   680  O OG    . SER    A  1  89  ? -19.582 -20.708 3.834   1.00 82.82 89  A  1 
ATOM   681  N N     . LYS    A  1  90  ? -21.178 -23.786 2.851   1.00 91.01 90  A  1 
ATOM   682  C CA    . LYS    A  1  90  ? -20.625 -24.775 1.938   1.00 91.24 90  A  1 
ATOM   683  C C     . LYS    A  1  90  ? -19.356 -24.238 1.283   1.00 91.95 90  A  1 
ATOM   684  O O     . LYS    A  1  90  ? -18.401 -24.979 1.064   1.00 89.87 90  A  1 
ATOM   685  C CB    . LYS    A  1  90  ? -21.662 -25.128 0.870   1.00 89.66 90  A  1 
ATOM   686  C CG    . LYS    A  1  90  ? -21.194 -26.131 -0.175  1.00 80.99 90  A  1 
ATOM   687  C CD    . LYS    A  1  90  ? -20.930 -27.496 0.424   1.00 74.66 90  A  1 
ATOM   688  C CE    . LYS    A  1  90  ? -20.593 -28.504 -0.664  1.00 66.04 90  A  1 
ATOM   689  N NZ    . LYS    A  1  90  ? -20.309 -29.855 -0.112  1.00 57.63 90  A  1 
ATOM   690  N N     . ALA    A  1  91  ? -19.358 -22.961 0.985   1.00 91.77 91  A  1 
ATOM   691  C CA    . ALA    A  1  91  ? -18.192 -22.350 0.354   1.00 91.64 91  A  1 
ATOM   692  C C     . ALA    A  1  91  ? -16.955 -22.451 1.243   1.00 92.03 91  A  1 
ATOM   693  O O     . ALA    A  1  91  ? -15.863 -22.760 0.763   1.00 89.52 91  A  1 
ATOM   694  C CB    . ALA    A  1  91  ? -18.476 -20.893 0.022   1.00 90.02 91  A  1 
ATOM   695  N N     . SER    A  1  92  ? -17.121 -22.184 2.525   1.00 91.63 92  A  1 
ATOM   696  C CA    . SER    A  1  92  ? -15.977 -22.250 3.433   1.00 91.33 92  A  1 
ATOM   697  C C     . SER    A  1  92  ? -15.462 -23.683 3.547   1.00 91.60 92  A  1 
ATOM   698  O O     . SER    A  1  92  ? -14.256 -23.907 3.684   1.00 88.82 92  A  1 
ATOM   699  C CB    . SER    A  1  92  ? -16.343 -21.694 4.815   1.00 90.07 92  A  1 
ATOM   700  O OG    . SER    A  1  92  ? -17.235 -22.537 5.507   1.00 83.02 92  A  1 
ATOM   701  N N     . TYR    A  1  93  ? -16.369 -24.626 3.484   1.00 91.37 93  A  1 
ATOM   702  C CA    . TYR    A  1  93  ? -16.000 -26.040 3.543   1.00 92.37 93  A  1 
ATOM   703  C C     . TYR    A  1  93  ? -15.198 -26.428 2.297   1.00 92.47 93  A  1 
ATOM   704  O O     . TYR    A  1  93  ? -14.150 -27.059 2.392   1.00 90.58 93  A  1 
ATOM   705  C CB    . TYR    A  1  93  ? -17.271 -26.886 3.660   1.00 92.11 93  A  1 
ATOM   706  C CG    . TYR    A  1  93  ? -17.061 -28.383 3.587   1.00 92.30 93  A  1 
ATOM   707  C CD1   . TYR    A  1  93  ? -17.096 -29.043 2.368   1.00 86.07 93  A  1 
ATOM   708  C CD2   . TYR    A  1  93  ? -16.858 -29.132 4.739   1.00 86.87 93  A  1 
ATOM   709  C CE1   . TYR    A  1  93  ? -16.924 -30.418 2.295   1.00 86.21 93  A  1 
ATOM   710  C CE2   . TYR    A  1  93  ? -16.688 -30.508 4.678   1.00 85.89 93  A  1 
ATOM   711  C CZ    . TYR    A  1  93  ? -16.719 -31.145 3.453   1.00 89.57 93  A  1 
ATOM   712  O OH    . TYR    A  1  93  ? -16.552 -32.507 3.382   1.00 88.34 93  A  1 
ATOM   713  N N     . GLU    A  1  94  ? -15.702 -26.034 1.150   1.00 92.64 94  A  1 
ATOM   714  C CA    . GLU    A  1  94  ? -15.017 -26.351 -0.104  1.00 92.54 94  A  1 
ATOM   715  C C     . GLU    A  1  94  ? -13.653 -25.674 -0.201  1.00 92.41 94  A  1 
ATOM   716  O O     . GLU    A  1  94  ? -12.708 -26.237 -0.759  1.00 89.93 94  A  1 
ATOM   717  C CB    . GLU    A  1  94  ? -15.885 -25.941 -1.291  1.00 91.16 94  A  1 
ATOM   718  C CG    . GLU    A  1  94  ? -17.168 -26.752 -1.412  1.00 86.17 94  A  1 
ATOM   719  C CD    . GLU    A  1  94  ? -18.072 -26.264 -2.533  1.00 81.92 94  A  1 
ATOM   720  O OE1   . GLU    A  1  94  ? -17.873 -25.131 -3.012  1.00 74.31 94  A  1 
ATOM   721  O OE2   . GLU    A  1  94  ? -18.985 -27.017 -2.925  1.00 73.90 94  A  1 
ATOM   722  N N     . ASN    A  1  95  ? -13.557 -24.484 0.344   1.00 91.37 95  A  1 
ATOM   723  C CA    . ASN    A  1  95  ? -12.295 -23.759 0.276   1.00 91.03 95  A  1 
ATOM   724  C C     . ASN    A  1  95  ? -11.196 -24.370 1.140   1.00 91.21 95  A  1 
ATOM   725  O O     . ASN    A  1  95  ? -10.031 -24.010 0.986   1.00 88.53 95  A  1 
ATOM   726  C CB    . ASN    A  1  95  ? -12.495 -22.288 0.640   1.00 89.79 95  A  1 
ATOM   727  C CG    . ASN    A  1  95  ? -13.048 -21.476 -0.518  1.00 87.97 95  A  1 
ATOM   728  O OD1   . ASN    A  1  95  ? -12.861 -21.829 -1.679  1.00 78.86 95  A  1 
ATOM   729  N ND2   . ASN    A  1  95  ? -13.718 -20.377 -0.211  1.00 78.71 95  A  1 
ATOM   730  N N     . VAL    A  1  96  ? -11.554 -25.267 2.021   1.00 91.56 96  A  1 
ATOM   731  C CA    . VAL    A  1  96  ? -10.525 -25.929 2.817   1.00 91.51 96  A  1 
ATOM   732  C C     . VAL    A  1  96  ? -9.578  -26.664 1.862   1.00 91.49 96  A  1 
ATOM   733  O O     . VAL    A  1  96  ? -8.357  -26.583 2.001   1.00 89.40 96  A  1 
ATOM   734  C CB    . VAL    A  1  96  ? -11.143 -26.913 3.824   1.00 90.83 96  A  1 
ATOM   735  C CG1   . VAL    A  1  96  ? -10.063 -27.800 4.435   1.00 81.81 96  A  1 
ATOM   736  C CG2   . VAL    A  1  96  ? -11.872 -26.150 4.921   1.00 83.17 96  A  1 
ATOM   737  N N     . LEU    A  1  97  ? -10.143 -27.352 0.889   1.00 91.94 97  A  1 
ATOM   738  C CA    . LEU    A  1  97  ? -9.334  -28.075 -0.089  1.00 91.94 97  A  1 
ATOM   739  C C     . LEU    A  1  97  ? -8.849  -27.188 -1.231  1.00 92.02 97  A  1 
ATOM   740  O O     . LEU    A  1  97  ? -7.701  -27.295 -1.657  1.00 89.33 97  A  1 
ATOM   741  C CB    . LEU    A  1  97  ? -10.120 -29.246 -0.677  1.00 89.93 97  A  1 
ATOM   742  C CG    . LEU    A  1  97  ? -10.235 -30.498 0.186   1.00 81.75 97  A  1 
ATOM   743  C CD1   . LEU    A  1  97  ? -11.246 -31.454 -0.422  1.00 75.17 97  A  1 
ATOM   744  C CD2   . LEU    A  1  97  ? -8.872  -31.173 0.317   1.00 74.64 97  A  1 
ATOM   745  N N     . LYS    A  1  98  ? -9.720  -26.339 -1.718  1.00 92.29 98  A  1 
ATOM   746  C CA    . LYS    A  1  98  ? -9.385  -25.523 -2.882  1.00 92.23 98  A  1 
ATOM   747  C C     . LYS    A  1  98  ? -8.471  -24.339 -2.594  1.00 92.12 98  A  1 
ATOM   748  O O     . LYS    A  1  98  ? -7.705  -23.926 -3.466  1.00 89.24 98  A  1 
ATOM   749  C CB    . LYS    A  1  98  ? -10.658 -25.022 -3.559  1.00 90.71 98  A  1 
ATOM   750  C CG    . LYS    A  1  98  ? -11.574 -26.133 -4.062  1.00 81.16 98  A  1 
ATOM   751  C CD    . LYS    A  1  98  ? -12.666 -25.602 -4.978  1.00 76.49 98  A  1 
ATOM   752  C CE    . LYS    A  1  98  ? -13.598 -24.643 -4.276  1.00 65.16 98  A  1 
ATOM   753  N NZ    . LYS    A  1  98  ? -14.707 -24.193 -5.172  1.00 57.53 98  A  1 
ATOM   754  N N     . LYS    A  1  99  ? -8.551  -23.803 -1.403  1.00 92.06 99  A  1 
ATOM   755  C CA    . LYS    A  1  99  ? -7.791  -22.602 -1.082  1.00 91.80 99  A  1 
ATOM   756  C C     . LYS    A  1  99  ? -6.789  -22.795 0.049   1.00 91.97 99  A  1 
ATOM   757  O O     . LYS    A  1  99  ? -5.600  -22.510 -0.115  1.00 89.80 99  A  1 
ATOM   758  C CB    . LYS    A  1  99  ? -8.754  -21.472 -0.724  1.00 89.76 99  A  1 
ATOM   759  C CG    . LYS    A  1  99  ? -8.099  -20.192 -0.236  1.00 81.63 99  A  1 
ATOM   760  C CD    . LYS    A  1  99  ? -9.154  -19.158 0.117   1.00 79.63 99  A  1 
ATOM   761  C CE    . LYS    A  1  99  ? -8.532  -17.902 0.692   1.00 71.49 99  A  1 
ATOM   762  N NZ    . LYS    A  1  99  ? -9.568  -16.893 1.062   1.00 66.00 99  A  1 
ATOM   763  N N     . TRP    A  1  100 ? -7.275  -23.256 1.184   1.00 92.49 100 A  1 
ATOM   764  C CA    . TRP    A  1  100 ? -6.411  -23.338 2.356   1.00 92.34 100 A  1 
ATOM   765  C C     . TRP    A  1  100 ? -5.330  -24.403 2.310   1.00 92.21 100 A  1 
ATOM   766  O O     . TRP    A  1  100 ? -4.187  -24.128 2.674   1.00 89.23 100 A  1 
ATOM   767  C CB    . TRP    A  1  100 ? -7.262  -23.474 3.617   1.00 91.62 100 A  1 
ATOM   768  C CG    . TRP    A  1  100 ? -8.133  -22.278 3.763   1.00 90.73 100 A  1 
ATOM   769  C CD1   . TRP    A  1  100 ? -9.476  -22.200 3.533   1.00 84.31 100 A  1 
ATOM   770  C CD2   . TRP    A  1  100 ? -7.697  -20.950 4.064   1.00 88.46 100 A  1 
ATOM   771  N NE1   . TRP    A  1  100 ? -9.902  -20.904 3.688   1.00 85.92 100 A  1 
ATOM   772  C CE2   . TRP    A  1  100 ? -8.832  -20.114 4.009   1.00 86.99 100 A  1 
ATOM   773  C CE3   . TRP    A  1  100 ? -6.459  -20.382 4.377   1.00 85.44 100 A  1 
ATOM   774  C CZ2   . TRP    A  1  100 ? -8.762  -18.743 4.254   1.00 87.12 100 A  1 
ATOM   775  C CZ3   . TRP    A  1  100 ? -6.393  -19.021 4.622   1.00 81.20 100 A  1 
ATOM   776  C CH2   . TRP    A  1  100 ? -7.538  -18.214 4.560   1.00 83.20 100 A  1 
ATOM   777  N N     . MET    A  1  101 ? -5.653  -25.575 1.862   1.00 91.60 101 A  1 
ATOM   778  C CA    . MET    A  1  101 ? -4.632  -26.611 1.815   1.00 91.62 101 A  1 
ATOM   779  C C     . MET    A  1  101 ? -3.498  -26.262 0.843   1.00 91.47 101 A  1 
ATOM   780  O O     . MET    A  1  101 ? -2.332  -26.449 1.185   1.00 89.06 101 A  1 
ATOM   781  C CB    . MET    A  1  101 ? -5.241  -27.974 1.502   1.00 90.57 101 A  1 
ATOM   782  C CG    . MET    A  1  101 ? -6.090  -28.533 2.641   1.00 84.90 101 A  1 
ATOM   783  S SD    . MET    A  1  101 ? -5.243  -28.564 4.239   1.00 84.12 101 A  1 
ATOM   784  C CE    . MET    A  1  101 ? -3.885  -29.672 3.894   1.00 75.95 101 A  1 
ATOM   785  N N     . PRO    A  1  102 ? -3.814  -25.754 -0.339  1.00 90.91 102 A  1 
ATOM   786  C CA    . PRO    A  1  102 ? -2.705  -25.358 -1.221  1.00 90.82 102 A  1 
ATOM   787  C C     . PRO    A  1  102 ? -1.834  -24.272 -0.593  1.00 90.91 102 A  1 
ATOM   788  O O     . PRO    A  1  102 ? -0.608  -24.302 -0.726  1.00 88.72 102 A  1 
ATOM   789  C CB    . PRO    A  1  102 ? -3.422  -24.853 -2.476  1.00 89.40 102 A  1 
ATOM   790  C CG    . PRO    A  1  102 ? -4.682  -25.644 -2.503  1.00 86.94 102 A  1 
ATOM   791  C CD    . PRO    A  1  102 ? -5.093  -25.750 -1.055  1.00 89.95 102 A  1 
ATOM   792  N N     . GLU    A  1  103 ? -2.452  -23.341 0.093   1.00 90.69 103 A  1 
ATOM   793  C CA    . GLU    A  1  103 ? -1.696  -22.270 0.733   1.00 90.35 103 A  1 
ATOM   794  C C     . GLU    A  1  103 ? -0.819  -22.811 1.864   1.00 90.22 103 A  1 
ATOM   795  O O     . GLU    A  1  103 ? 0.361   -22.472 1.963   1.00 87.83 103 A  1 
ATOM   796  C CB    . GLU    A  1  103 ? -2.635  -21.189 1.262   1.00 88.69 103 A  1 
ATOM   797  C CG    . GLU    A  1  103 ? -1.917  -20.035 1.948   1.00 84.02 103 A  1 
ATOM   798  C CD    . GLU    A  1  103 ? -2.826  -18.855 2.228   1.00 83.06 103 A  1 
ATOM   799  O OE1   . GLU    A  1  103 ? -3.462  -18.359 1.278   1.00 77.63 103 A  1 
ATOM   800  O OE2   . GLU    A  1  103 ? -2.909  -18.429 3.394   1.00 77.71 103 A  1 
ATOM   801  N N     . LEU    A  1  104 ? -1.394  -23.638 2.703   1.00 89.98 104 A  1 
ATOM   802  C CA    . LEU    A  1  104 ? -0.627  -24.195 3.812   1.00 89.93 104 A  1 
ATOM   803  C C     . LEU    A  1  104 ? 0.481   -25.120 3.316   1.00 89.33 104 A  1 
ATOM   804  O O     . LEU    A  1  104 ? 1.567   -25.143 3.890   1.00 86.09 104 A  1 
ATOM   805  C CB    . LEU    A  1  104 ? -1.542  -24.936 4.787   1.00 88.82 104 A  1 
ATOM   806  C CG    . LEU    A  1  104 ? -2.584  -24.071 5.507   1.00 87.26 104 A  1 
ATOM   807  C CD1   . LEU    A  1  104 ? -3.441  -24.933 6.417   1.00 80.37 104 A  1 
ATOM   808  C CD2   . LEU    A  1  104 ? -1.914  -22.961 6.304   1.00 80.92 104 A  1 
ATOM   809  N N     . ARG    A  1  105 ? 0.211   -25.860 2.267   1.00 90.28 105 A  1 
ATOM   810  C CA    . ARG    A  1  105 ? 1.234   -26.747 1.716   1.00 89.67 105 A  1 
ATOM   811  C C     . ARG    A  1  105 ? 2.410   -25.947 1.160   1.00 89.87 105 A  1 
ATOM   812  O O     . ARG    A  1  105 ? 3.555   -26.380 1.240   1.00 86.35 105 A  1 
ATOM   813  C CB    . ARG    A  1  105 ? 0.659   -27.639 0.615   1.00 88.02 105 A  1 
ATOM   814  C CG    . ARG    A  1  105 ? -0.182  -28.805 1.110   1.00 80.85 105 A  1 
ATOM   815  C CD    . ARG    A  1  105 ? -0.383  -29.842 0.011   1.00 75.43 105 A  1 
ATOM   816  N NE    . ARG    A  1  105 ? -1.141  -29.301 -1.124  1.00 67.40 105 A  1 
ATOM   817  C CZ    . ARG    A  1  105 ? -2.464  -29.354 -1.249  1.00 60.73 105 A  1 
ATOM   818  N NH1   . ARG    A  1  105 ? -3.206  -29.930 -0.307  1.00 53.31 105 A  1 
ATOM   819  N NH2   . ARG    A  1  105 ? -3.057  -28.831 -2.315  1.00 54.35 105 A  1 
ATOM   820  N N     . ARG    A  1  106 ? 2.105   -24.810 0.610   1.00 90.42 106 A  1 
ATOM   821  C CA    . ARG    A  1  106 ? 3.165   -23.987 0.046   1.00 90.16 106 A  1 
ATOM   822  C C     . ARG    A  1  106 ? 4.063   -23.373 1.115   1.00 89.86 106 A  1 
ATOM   823  O O     . ARG    A  1  106 ? 5.288   -23.393 0.991   1.00 86.87 106 A  1 
ATOM   824  C CB    . ARG    A  1  106 ? 2.579   -22.870 -0.812  1.00 88.41 106 A  1 
ATOM   825  C CG    . ARG    A  1  106 ? 3.643   -21.944 -1.384  1.00 80.62 106 A  1 
ATOM   826  C CD    . ARG    A  1  106 ? 3.038   -20.815 -2.191  1.00 78.14 106 A  1 
ATOM   827  N NE    . ARG    A  1  106 ? 4.067   -19.870 -2.619  1.00 69.96 106 A  1 
ATOM   828  C CZ    . ARG    A  1  106 ? 3.826   -18.726 -3.251  1.00 64.85 106 A  1 
ATOM   829  N NH1   . ARG    A  1  106 ? 2.583   -18.376 -3.550  1.00 58.57 106 A  1 
ATOM   830  N NH2   . ARG    A  1  106 ? 4.824   -17.934 -3.588  1.00 57.46 106 A  1 
ATOM   831  N N     . PHE    A  1  107 ? 3.452   -22.827 2.150   1.00 89.41 107 A  1 
ATOM   832  C CA    . PHE    A  1  107 ? 4.224   -22.108 3.160   1.00 88.44 107 A  1 
ATOM   833  C C     . PHE    A  1  107 ? 4.599   -22.887 4.418   1.00 88.00 107 A  1 
ATOM   834  O O     . PHE    A  1  107 ? 5.551   -22.512 5.105   1.00 82.70 107 A  1 
ATOM   835  C CB    . PHE    A  1  107 ? 3.474   -20.840 3.556   1.00 86.83 107 A  1 
ATOM   836  C CG    . PHE    A  1  107 ? 3.307   -19.859 2.429   1.00 85.69 107 A  1 
ATOM   837  C CD1   . PHE    A  1  107 ? 4.358   -19.038 2.049   1.00 78.70 107 A  1 
ATOM   838  C CD2   . PHE    A  1  107 ? 2.106   -19.763 1.741   1.00 78.50 107 A  1 
ATOM   839  C CE1   . PHE    A  1  107 ? 4.212   -18.140 1.000   1.00 76.94 107 A  1 
ATOM   840  C CE2   . PHE    A  1  107 ? 1.958   -18.867 0.689   1.00 76.17 107 A  1 
ATOM   841  C CZ    . PHE    A  1  107 ? 3.014   -18.053 0.320   1.00 78.03 107 A  1 
ATOM   842  N N     . ALA    A  1  108 ? 3.860   -23.932 4.724   1.00 88.86 108 A  1 
ATOM   843  C CA    . ALA    A  1  108 ? 4.121   -24.704 5.936   1.00 88.89 108 A  1 
ATOM   844  C C     . ALA    A  1  108 ? 3.585   -26.126 5.773   1.00 89.24 108 A  1 
ATOM   845  O O     . ALA    A  1  108 ? 2.684   -26.553 6.498   1.00 85.36 108 A  1 
ATOM   846  C CB    . ALA    A  1  108 ? 3.470   -24.022 7.137   1.00 86.90 108 A  1 
ATOM   847  N N     . PRO    A  1  109 ? 4.129   -26.860 4.818   1.00 88.63 109 A  1 
ATOM   848  C CA    . PRO    A  1  109 ? 3.617   -28.191 4.474   1.00 87.58 109 A  1 
ATOM   849  C C     . PRO    A  1  109 ? 3.617   -29.267 5.554   1.00 86.77 109 A  1 
ATOM   850  O O     . PRO    A  1  109 ? 2.788   -30.174 5.498   1.00 80.40 109 A  1 
ATOM   851  C CB    . PRO    A  1  109 ? 4.501   -28.603 3.292   1.00 85.44 109 A  1 
ATOM   852  C CG    . PRO    A  1  109 ? 5.770   -27.861 3.511   1.00 82.25 109 A  1 
ATOM   853  C CD    . PRO    A  1  109 ? 5.330   -26.524 4.046   1.00 85.65 109 A  1 
ATOM   854  N N     . ASN    A  1  110 ? 4.519   -29.187 6.508   1.00 87.93 110 A  1 
ATOM   855  C CA    . ASN    A  1  110 ? 4.596   -30.244 7.511   1.00 87.52 110 A  1 
ATOM   856  C C     . ASN    A  1  110 ? 4.080   -29.875 8.898   1.00 87.87 110 A  1 
ATOM   857  O O     . ASN    A  1  110 ? 4.298   -30.612 9.854   1.00 83.44 110 A  1 
ATOM   858  C CB    . ASN    A  1  110 ? 6.031   -30.756 7.604   1.00 84.33 110 A  1 
ATOM   859  C CG    . ASN    A  1  110 ? 6.492   -31.406 6.318   1.00 77.79 110 A  1 
ATOM   860  O OD1   . ASN    A  1  110 ? 5.726   -32.104 5.653   1.00 67.75 110 A  1 
ATOM   861  N ND2   . ASN    A  1  110 ? 7.745   -31.175 5.950   1.00 67.67 110 A  1 
ATOM   862  N N     . VAL    A  1  111 ? 3.399   -28.761 8.987   1.00 89.35 111 A  1 
ATOM   863  C CA    . VAL    A  1  111 ? 2.834   -28.356 10.271  1.00 89.87 111 A  1 
ATOM   864  C C     . VAL    A  1  111 ? 1.468   -29.029 10.412  1.00 90.46 111 A  1 
ATOM   865  O O     . VAL    A  1  111 ? 0.661   -28.985 9.486   1.00 88.33 111 A  1 
ATOM   866  C CB    . VAL    A  1  111 ? 2.684   -26.825 10.345  1.00 88.57 111 A  1 
ATOM   867  C CG1   . VAL    A  1  111 ? 1.997   -26.416 11.641  1.00 80.44 111 A  1 
ATOM   868  C CG2   . VAL    A  1  111 ? 4.051   -26.167 10.235  1.00 81.14 111 A  1 
ATOM   869  N N     . PRO    A  1  112 ? 1.216   -29.656 11.555  1.00 90.41 112 A  1 
ATOM   870  C CA    . PRO    A  1  112 ? -0.072  -30.341 11.724  1.00 90.82 112 A  1 
ATOM   871  C C     . PRO    A  1  112 ? -1.257  -29.383 11.721  1.00 91.32 112 A  1 
ATOM   872  O O     . PRO    A  1  112 ? -1.115  -28.191 11.999  1.00 89.06 112 A  1 
ATOM   873  C CB    . PRO    A  1  112 ? 0.080   -31.048 13.075  1.00 88.92 112 A  1 
ATOM   874  C CG    . PRO    A  1  112 ? 1.093   -30.233 13.800  1.00 85.13 112 A  1 
ATOM   875  C CD    . PRO    A  1  112 ? 2.071   -29.800 12.740  1.00 88.09 112 A  1 
ATOM   876  N N     . ILE    A  1  113 ? -2.412  -29.942 11.409  1.00 90.98 113 A  1 
ATOM   877  C CA    . ILE    A  1  113 ? -3.635  -29.155 11.290  1.00 91.64 113 A  1 
ATOM   878  C C     . ILE    A  1  113 ? -4.759  -29.756 12.118  1.00 91.87 113 A  1 
ATOM   879  O O     . ILE    A  1  113 ? -4.946  -30.973 12.129  1.00 89.66 113 A  1 
ATOM   880  C CB    . ILE    A  1  113 ? -4.100  -29.098 9.822   1.00 90.34 113 A  1 
ATOM   881  C CG1   . ILE    A  1  113 ? -3.038  -28.425 8.947   1.00 82.98 113 A  1 
ATOM   882  C CG2   . ILE    A  1  113 ? -5.444  -28.388 9.700   1.00 82.35 113 A  1 
ATOM   883  C CD1   . ILE    A  1  113 ? -3.263  -28.620 7.460   1.00 79.70 113 A  1 
ATOM   884  N N     . VAL    A  1  114 ? -5.489  -28.894 12.789  1.00 92.13 114 A  1 
ATOM   885  C CA    . VAL    A  1  114 ? -6.703  -29.304 13.487  1.00 92.46 114 A  1 
ATOM   886  C C     . VAL    A  1  114 ? -7.834  -28.650 12.709  1.00 92.49 114 A  1 
ATOM   887  O O     . VAL    A  1  114 ? -7.914  -27.422 12.636  1.00 90.39 114 A  1 
ATOM   888  C CB    . VAL    A  1  114 ? -6.726  -28.830 14.954  1.00 91.38 114 A  1 
ATOM   889  C CG1   . VAL    A  1  114 ? -8.105  -29.081 15.565  1.00 81.83 114 A  1 
ATOM   890  C CG2   . VAL    A  1  114 ? -5.663  -29.564 15.758  1.00 82.06 114 A  1 
ATOM   891  N N     . LEU    A  1  115 ? -8.683  -29.476 12.128  1.00 92.47 115 A  1 
ATOM   892  C CA    . LEU    A  1  115 ? -9.804  -28.966 11.349  1.00 93.02 115 A  1 
ATOM   893  C C     . LEU    A  1  115 ? -10.960 -28.661 12.293  1.00 93.13 115 A  1 
ATOM   894  O O     . LEU    A  1  115 ? -11.305 -29.477 13.147  1.00 91.12 115 A  1 
ATOM   895  C CB    . LEU    A  1  115 ? -10.234 -30.005 10.314  1.00 92.21 115 A  1 
ATOM   896  C CG    . LEU    A  1  115 ? -11.385 -29.616 9.380   1.00 90.48 115 A  1 
ATOM   897  C CD1   . LEU    A  1  115 ? -10.967 -28.472 8.467   1.00 83.24 115 A  1 
ATOM   898  C CD2   . LEU    A  1  115 ? -11.798 -30.826 8.551   1.00 83.95 115 A  1 
ATOM   899  N N     . VAL    A  1  116 ? -11.546 -27.493 12.134  1.00 92.80 116 A  1 
ATOM   900  C CA    . VAL    A  1  116 ? -12.633 -27.081 13.020  1.00 92.97 116 A  1 
ATOM   901  C C     . VAL    A  1  116 ? -13.843 -26.599 12.239  1.00 92.79 116 A  1 
ATOM   902  O O     . VAL    A  1  116 ? -13.725 -25.768 11.340  1.00 90.23 116 A  1 
ATOM   903  C CB    . VAL    A  1  116 ? -12.175 -25.956 13.970  1.00 91.45 116 A  1 
ATOM   904  C CG1   . VAL    A  1  116 ? -13.327 -25.510 14.863  1.00 80.78 116 A  1 
ATOM   905  C CG2   . VAL    A  1  116 ? -11.002 -26.425 14.816  1.00 81.65 116 A  1 
ATOM   906  N N     . GLY    A  1  117 ? -15.005 -27.116 12.614  1.00 92.79 117 A  1 
ATOM   907  C CA    . GLY    A  1  117 ? -16.251 -26.670 12.019  1.00 92.76 117 A  1 
ATOM   908  C C     . GLY    A  1  117 ? -16.887 -25.725 13.021  1.00 92.98 117 A  1 
ATOM   909  O O     . GLY    A  1  117 ? -17.193 -26.128 14.139  1.00 90.36 117 A  1 
ATOM   910  N N     . THR    A  1  118 ? -17.070 -24.490 12.625  1.00 92.41 118 A  1 
ATOM   911  C CA    . THR    A  1  118 ? -17.598 -23.480 13.540  1.00 92.15 118 A  1 
ATOM   912  C C     . THR    A  1  118 ? -19.098 -23.238 13.386  1.00 91.73 118 A  1 
ATOM   913  O O     . THR    A  1  118 ? -19.737 -23.749 12.467  1.00 88.85 118 A  1 
ATOM   914  C CB    . THR    A  1  118 ? -16.863 -22.147 13.346  1.00 90.78 118 A  1 
ATOM   915  O OG1   . THR    A  1  118 ? -17.104 -21.678 12.018  1.00 80.04 118 A  1 
ATOM   916  C CG2   . THR    A  1  118 ? -15.368 -22.310 13.564  1.00 80.25 118 A  1 
ATOM   917  N N     . LYS    A  1  119 ? -19.625 -22.444 14.293  1.00 91.78 119 A  1 
ATOM   918  C CA    . LYS    A  1  119 ? -21.042 -22.070 14.303  1.00 91.49 119 A  1 
ATOM   919  C C     . LYS    A  1  119 ? -21.968 -23.281 14.444  1.00 91.41 119 A  1 
ATOM   920  O O     . LYS    A  1  119 ? -23.029 -23.354 13.811  1.00 88.09 119 A  1 
ATOM   921  C CB    . LYS    A  1  119 ? -21.395 -21.257 13.055  1.00 89.65 119 A  1 
ATOM   922  C CG    . LYS    A  1  119 ? -20.535 -20.010 12.887  1.00 88.09 119 A  1 
ATOM   923  C CD    . LYS    A  1  119 ? -20.990 -19.152 11.719  1.00 85.81 119 A  1 
ATOM   924  C CE    . LYS    A  1  119 ? -20.071 -17.951 11.539  1.00 84.07 119 A  1 
ATOM   925  N NZ    . LYS    A  1  119 ? -20.485 -17.091 10.397  1.00 78.81 119 A  1 
ATOM   926  N N     . LEU    A  1  120 ? -21.559 -24.200 15.267  1.00 91.74 120 A  1 
ATOM   927  C CA    . LEU    A  1  120 ? -22.347 -25.406 15.504  1.00 91.87 120 A  1 
ATOM   928  C C     . LEU    A  1  120 ? -23.763 -25.082 15.968  1.00 91.19 120 A  1 
ATOM   929  O O     . LEU    A  1  120 ? -24.708 -25.787 15.618  1.00 88.31 120 A  1 
ATOM   930  C CB    . LEU    A  1  120 ? -21.645 -26.284 16.544  1.00 91.05 120 A  1 
ATOM   931  C CG    . LEU    A  1  120 ? -22.349 -27.574 16.975  1.00 88.97 120 A  1 
ATOM   932  C CD1   . LEU    A  1  120 ? -22.587 -28.477 15.778  1.00 80.62 120 A  1 
ATOM   933  C CD2   . LEU    A  1  120 ? -21.506 -28.293 18.019  1.00 80.87 120 A  1 
ATOM   934  N N     . ASP    A  1  121 ? -23.909 -24.037 16.733  1.00 90.43 121 A  1 
ATOM   935  C CA    . ASP    A  1  121 ? -25.221 -23.650 17.238  1.00 89.11 121 A  1 
ATOM   936  C C     . ASP    A  1  121 ? -26.216 -23.365 16.115  1.00 89.04 121 A  1 
ATOM   937  O O     . ASP    A  1  121 ? -27.401 -23.663 16.247  1.00 85.17 121 A  1 
ATOM   938  C CB    . ASP    A  1  121 ? -25.108 -22.422 18.153  1.00 87.16 121 A  1 
ATOM   939  C CG    . ASP    A  1  121 ? -24.543 -21.213 17.436  1.00 84.85 121 A  1 
ATOM   940  O OD1   . ASP    A  1  121 ? -23.362 -21.244 17.050  1.00 77.14 121 A  1 
ATOM   941  O OD2   . ASP    A  1  121 ? -25.287 -20.228 17.256  1.00 78.38 121 A  1 
ATOM   942  N N     . LEU    A  1  122 ? -25.739 -22.809 15.024  1.00 89.02 122 A  1 
ATOM   943  C CA    . LEU    A  1  122 ? -26.633 -22.502 13.911  1.00 88.66 122 A  1 
ATOM   944  C C     . LEU    A  1  122 ? -27.060 -23.765 13.173  1.00 87.92 122 A  1 
ATOM   945  O O     . LEU    A  1  122 ? -28.217 -23.891 12.774  1.00 83.70 122 A  1 
ATOM   946  C CB    . LEU    A  1  122 ? -25.976 -21.517 12.946  1.00 87.23 122 A  1 
ATOM   947  C CG    . LEU    A  1  122 ? -25.754 -20.103 13.497  1.00 84.79 122 A  1 
ATOM   948  C CD1   . LEU    A  1  122 ? -25.059 -19.236 12.460  1.00 78.96 122 A  1 
ATOM   949  C CD2   . LEU    A  1  122 ? -27.078 -19.470 13.912  1.00 78.65 122 A  1 
ATOM   950  N N     . ARG    A  1  123 ? -26.135 -24.678 12.990  1.00 87.25 123 A  1 
ATOM   951  C CA    . ARG    A  1  123 ? -26.488 -25.926 12.316  1.00 87.02 123 A  1 
ATOM   952  C C     . ARG    A  1  123 ? -27.484 -26.720 13.161  1.00 86.17 123 A  1 
ATOM   953  O O     . ARG    A  1  123 ? -28.350 -27.404 12.624  1.00 82.12 123 A  1 
ATOM   954  C CB    . ARG    A  1  123 ? -25.247 -26.785 12.048  1.00 85.90 123 A  1 
ATOM   955  C CG    . ARG    A  1  123 ? -25.539 -27.991 11.160  1.00 82.49 123 A  1 
ATOM   956  C CD    . ARG    A  1  123 ? -24.359 -28.932 11.062  1.00 82.97 123 A  1 
ATOM   957  N NE    . ARG    A  1  123 ? -24.086 -29.569 12.339  1.00 82.17 123 A  1 
ATOM   958  C CZ    . ARG    A  1  123 ? -23.019 -30.328 12.589  1.00 84.76 123 A  1 
ATOM   959  N NH1   . ARG    A  1  123 ? -22.113 -30.539 11.639  1.00 75.36 123 A  1 
ATOM   960  N NH2   . ARG    A  1  123 ? -22.849 -30.871 13.785  1.00 78.20 123 A  1 
ATOM   961  N N     . ASP    A  1  124 ? -27.358 -26.619 14.466  1.00 85.15 124 A  1 
ATOM   962  C CA    . ASP    A  1  124 ? -28.248 -27.347 15.371  1.00 83.52 124 A  1 
ATOM   963  C C     . ASP    A  1  124 ? -29.567 -26.623 15.632  1.00 82.95 124 A  1 
ATOM   964  O O     . ASP    A  1  124 ? -30.437 -27.163 16.313  1.00 77.37 124 A  1 
ATOM   965  C CB    . ASP    A  1  124 ? -27.542 -27.606 16.708  1.00 80.56 124 A  1 
ATOM   966  C CG    . ASP    A  1  124 ? -26.383 -28.580 16.589  1.00 76.79 124 A  1 
ATOM   967  O OD1   . ASP    A  1  124 ? -26.253 -29.240 15.538  1.00 69.53 124 A  1 
ATOM   968  O OD2   . ASP    A  1  124 ? -25.607 -28.695 17.558  1.00 70.51 124 A  1 
ATOM   969  N N     . ASP    A  1  125 ? -29.712 -25.431 15.090  1.00 84.48 125 A  1 
ATOM   970  C CA    . ASP    A  1  125 ? -30.926 -24.653 15.311  1.00 83.41 125 A  1 
ATOM   971  C C     . ASP    A  1  125 ? -31.975 -24.926 14.235  1.00 82.68 125 A  1 
ATOM   972  O O     . ASP    A  1  125 ? -31.793 -24.581 13.066  1.00 77.97 125 A  1 
ATOM   973  C CB    . ASP    A  1  125 ? -30.596 -23.159 15.346  1.00 80.12 125 A  1 
ATOM   974  C CG    . ASP    A  1  125 ? -31.820 -22.296 15.599  1.00 75.57 125 A  1 
ATOM   975  O OD1   . ASP    A  1  125 ? -32.630 -22.658 16.472  1.00 68.30 125 A  1 
ATOM   976  O OD2   . ASP    A  1  125 ? -31.976 -21.263 14.923  1.00 67.97 125 A  1 
ATOM   977  N N     . LYS    A  1  126 ? -33.066 -25.527 14.635  1.00 82.32 126 A  1 
ATOM   978  C CA    . LYS    A  1  126 ? -34.156 -25.851 13.715  1.00 80.91 126 A  1 
ATOM   979  C C     . LYS    A  1  126 ? -34.651 -24.614 12.977  1.00 81.04 126 A  1 
ATOM   980  O O     . LYS    A  1  126 ? -34.899 -24.658 11.770  1.00 74.57 126 A  1 
ATOM   981  C CB    . LYS    A  1  126 ? -35.308 -26.489 14.500  1.00 76.97 126 A  1 
ATOM   982  C CG    . LYS    A  1  126 ? -36.544 -26.811 13.665  1.00 69.60 126 A  1 
ATOM   983  C CD    . LYS    A  1  126 ? -36.285 -27.918 12.659  1.00 59.60 126 A  1 
ATOM   984  C CE    . LYS    A  1  126 ? -37.576 -28.292 11.933  1.00 51.61 126 A  1 
ATOM   985  N NZ    . LYS    A  1  126 ? -37.372 -29.391 10.957  1.00 43.15 126 A  1 
ATOM   986  N N     . GLY    A  1  127 ? -34.800 -23.531 13.698  1.00 79.33 127 A  1 
ATOM   987  C CA    . GLY    A  1  127 ? -35.277 -22.299 13.089  1.00 77.81 127 A  1 
ATOM   988  C C     . GLY    A  1  127 ? -34.352 -21.794 12.001  1.00 78.39 127 A  1 
ATOM   989  O O     . GLY    A  1  127 ? -34.805 -21.340 10.948  1.00 73.03 127 A  1 
ATOM   990  N N     . TYR    A  1  128 ? -33.070 -21.881 12.253  1.00 80.29 128 A  1 
ATOM   991  C CA    . TYR    A  1  128 ? -32.099 -21.426 11.263  1.00 79.27 128 A  1 
ATOM   992  C C     . TYR    A  1  128 ? -32.119 -22.331 10.032  1.00 78.98 128 A  1 
ATOM   993  O O     . TYR    A  1  128 ? -32.088 -21.850 8.897   1.00 74.50 128 A  1 
ATOM   994  C CB    . TYR    A  1  128 ? -30.698 -21.391 11.876  1.00 75.69 128 A  1 
ATOM   995  C CG    . TYR    A  1  128 ? -29.651 -20.871 10.920  1.00 72.86 128 A  1 
ATOM   996  C CD1   . TYR    A  1  128 ? -28.979 -21.730 10.062  1.00 67.43 128 A  1 
ATOM   997  C CD2   . TYR    A  1  128 ? -29.354 -19.511 10.859  1.00 67.28 128 A  1 
ATOM   998  C CE1   . TYR    A  1  128 ? -28.038 -21.251 9.164   1.00 63.93 128 A  1 
ATOM   999  C CE2   . TYR    A  1  128 ? -28.413 -19.024 9.963   1.00 62.81 128 A  1 
ATOM   1000 C CZ    . TYR    A  1  128 ? -27.758 -19.899 9.117   1.00 63.97 128 A  1 
ATOM   1001 O OH    . TYR    A  1  128 ? -26.827 -19.426 8.223   1.00 61.97 128 A  1 
ATOM   1002 N N     . LEU    A  1  129 ? -32.175 -23.620 10.264  1.00 79.05 129 A  1 
ATOM   1003 C CA    . LEU    A  1  129 ? -32.182 -24.579 9.162   1.00 78.44 129 A  1 
ATOM   1004 C C     . LEU    A  1  129 ? -33.417 -24.451 8.278   1.00 78.38 129 A  1 
ATOM   1005 O O     . LEU    A  1  129 ? -33.388 -24.843 7.113   1.00 74.60 129 A  1 
ATOM   1006 C CB    . LEU    A  1  129 ? -32.084 -26.009 9.700   1.00 74.72 129 A  1 
ATOM   1007 C CG    . LEU    A  1  129 ? -30.763 -26.388 10.373  1.00 68.74 129 A  1 
ATOM   1008 C CD1   . LEU    A  1  129 ? -30.847 -27.803 10.914  1.00 63.01 129 A  1 
ATOM   1009 C CD2   . LEU    A  1  129 ? -29.610 -26.263 9.386   1.00 63.25 129 A  1 
ATOM   1010 N N     . ALA    A  1  130 ? -34.473 -23.908 8.819   1.00 78.53 130 A  1 
ATOM   1011 C CA    . ALA    A  1  130 ? -35.693 -23.738 8.039   1.00 77.38 130 A  1 
ATOM   1012 C C     . ALA    A  1  130 ? -35.462 -22.799 6.855   1.00 77.36 130 A  1 
ATOM   1013 O O     . ALA    A  1  130 ? -36.098 -22.944 5.810   1.00 72.51 130 A  1 
ATOM   1014 C CB    . ALA    A  1  130 ? -36.809 -23.198 8.924   1.00 74.88 130 A  1 
ATOM   1015 N N     . ASP    A  1  131 ? -34.551 -21.860 7.018   1.00 80.37 131 A  1 
ATOM   1016 C CA    . ASP    A  1  131 ? -34.253 -20.900 5.956   1.00 78.54 131 A  1 
ATOM   1017 C C     . ASP    A  1  131 ? -32.893 -21.121 5.300   1.00 77.51 131 A  1 
ATOM   1018 O O     . ASP    A  1  131 ? -32.587 -20.493 4.284   1.00 72.08 131 A  1 
ATOM   1019 C CB    . ASP    A  1  131 ? -34.314 -19.472 6.505   1.00 74.92 131 A  1 
ATOM   1020 C CG    . ASP    A  1  131 ? -35.705 -19.080 6.967   1.00 68.66 131 A  1 
ATOM   1021 O OD1   . ASP    A  1  131 ? -36.691 -19.540 6.360   1.00 61.76 131 A  1 
ATOM   1022 O OD2   . ASP    A  1  131 ? -35.802 -18.299 7.934   1.00 61.83 131 A  1 
ATOM   1023 N N     . HIS    A  1  132 ? -32.088 -21.983 5.873   1.00 78.95 132 A  1 
ATOM   1024 C CA    . HIS    A  1  132 ? -30.752 -22.239 5.338   1.00 77.84 132 A  1 
ATOM   1025 C C     . HIS    A  1  132 ? -30.471 -23.738 5.332   1.00 77.59 132 A  1 
ATOM   1026 O O     . HIS    A  1  132 ? -30.335 -24.348 6.391   1.00 72.63 132 A  1 
ATOM   1027 C CB    . HIS    A  1  132 ? -29.701 -21.523 6.177   1.00 74.48 132 A  1 
ATOM   1028 C CG    . HIS    A  1  132 ? -29.969 -20.062 6.371   1.00 71.33 132 A  1 
ATOM   1029 N ND1   . HIS    A  1  132 ? -30.811 -19.583 7.346   1.00 61.21 132 A  1 
ATOM   1030 C CD2   . HIS    A  1  132 ? -29.519 -18.984 5.695   1.00 62.18 132 A  1 
ATOM   1031 C CE1   . HIS    A  1  132 ? -30.869 -18.262 7.266   1.00 60.78 132 A  1 
ATOM   1032 N NE2   . HIS    A  1  132 ? -30.093 -17.874 6.274   1.00 59.77 132 A  1 
ATOM   1033 N N     . THR    A  1  133 ? -30.376 -24.296 4.138   1.00 80.49 133 A  1 
ATOM   1034 C CA    . THR    A  1  133 ? -30.169 -25.737 4.013   1.00 78.29 133 A  1 
ATOM   1035 C C     . THR    A  1  133 ? -28.742 -26.152 3.670   1.00 78.77 133 A  1 
ATOM   1036 O O     . THR    A  1  133 ? -28.402 -27.329 3.790   1.00 72.53 133 A  1 
ATOM   1037 C CB    . THR    A  1  133 ? -31.109 -26.319 2.947   1.00 73.34 133 A  1 
ATOM   1038 O OG1   . THR    A  1  133 ? -30.858 -25.677 1.694   1.00 64.24 133 A  1 
ATOM   1039 C CG2   . THR    A  1  133 ? -32.563 -26.105 3.341   1.00 61.59 133 A  1 
ATOM   1040 N N     . ASN    A  1  134 ? -27.918 -25.212 3.246   1.00 82.28 134 A  1 
ATOM   1041 C CA    . ASN    A  1  134 ? -26.541 -25.546 2.882   1.00 82.33 134 A  1 
ATOM   1042 C C     . ASN    A  1  134 ? -25.631 -25.629 4.105   1.00 84.08 134 A  1 
ATOM   1043 O O     . ASN    A  1  134 ? -24.808 -24.748 4.348   1.00 79.67 134 A  1 
ATOM   1044 C CB    . ASN    A  1  134 ? -25.988 -24.524 1.894   1.00 77.10 134 A  1 
ATOM   1045 C CG    . ASN    A  1  134 ? -26.644 -24.622 0.538   1.00 70.52 134 A  1 
ATOM   1046 O OD1   . ASN    A  1  134 ? -27.025 -25.706 0.096   1.00 61.77 134 A  1 
ATOM   1047 N ND2   . ASN    A  1  134 ? -26.783 -23.490 -0.136  1.00 62.31 134 A  1 
ATOM   1048 N N     . VAL    A  1  135 ? -25.785 -26.696 4.846   1.00 86.55 135 A  1 
ATOM   1049 C CA    . VAL    A  1  135 ? -24.970 -26.894 6.038   1.00 87.13 135 A  1 
ATOM   1050 C C     . VAL    A  1  135 ? -24.100 -28.134 5.868   1.00 88.13 135 A  1 
ATOM   1051 O O     . VAL    A  1  135 ? -24.367 -28.987 5.020   1.00 85.20 135 A  1 
ATOM   1052 C CB    . VAL    A  1  135 ? -25.835 -27.042 7.302   1.00 84.53 135 A  1 
ATOM   1053 C CG1   . VAL    A  1  135 ? -26.678 -25.788 7.506   1.00 74.39 135 A  1 
ATOM   1054 C CG2   . VAL    A  1  135 ? -26.727 -28.270 7.209   1.00 74.87 135 A  1 
ATOM   1055 N N     . ILE    A  1  136 ? -23.071 -28.203 6.673   1.00 89.48 136 A  1 
ATOM   1056 C CA    . ILE    A  1  136 ? -22.128 -29.314 6.607   1.00 90.31 136 A  1 
ATOM   1057 C C     . ILE    A  1  136 ? -22.378 -30.266 7.768   1.00 90.60 136 A  1 
ATOM   1058 O O     . ILE    A  1  136 ? -22.414 -29.846 8.924   1.00 88.28 136 A  1 
ATOM   1059 C CB    . ILE    A  1  136 ? -20.678 -28.803 6.669   1.00 89.27 136 A  1 
ATOM   1060 C CG1   . ILE    A  1  136 ? -20.442 -27.746 5.580   1.00 83.45 136 A  1 
ATOM   1061 C CG2   . ILE    A  1  136 ? -19.694 -29.957 6.537   1.00 81.58 136 A  1 
ATOM   1062 C CD1   . ILE    A  1  136 ? -20.686 -28.231 4.170   1.00 75.76 136 A  1 
ATOM   1063 N N     . THR    A  1  137 ? -22.538 -31.534 7.450   1.00 89.95 137 A  1 
ATOM   1064 C CA    . THR    A  1  137 ? -22.776 -32.530 8.491   1.00 89.77 137 A  1 
ATOM   1065 C C     . THR    A  1  137 ? -21.463 -32.937 9.145   1.00 90.55 137 A  1 
ATOM   1066 O O     . THR    A  1  137 ? -20.381 -32.699 8.608   1.00 88.24 137 A  1 
ATOM   1067 C CB    . THR    A  1  137 ? -23.427 -33.790 7.919   1.00 87.66 137 A  1 
ATOM   1068 O OG1   . THR    A  1  137 ? -22.507 -34.445 7.044   1.00 78.22 137 A  1 
ATOM   1069 C CG2   . THR    A  1  137 ? -24.704 -33.456 7.163   1.00 75.37 137 A  1 
ATOM   1070 N N     . SER    A  1  138 ? -21.576 -33.581 10.288  1.00 90.82 138 A  1 
ATOM   1071 C CA    . SER    A  1  138 ? -20.386 -34.062 10.985  1.00 91.19 138 A  1 
ATOM   1072 C C     . SER    A  1  138 ? -19.659 -35.095 10.129  1.00 91.79 138 A  1 
ATOM   1073 O O     . SER    A  1  138 ? -18.432 -35.172 10.146  1.00 88.87 138 A  1 
ATOM   1074 C CB    . SER    A  1  138 ? -20.768 -34.675 12.328  1.00 89.46 138 A  1 
ATOM   1075 O OG    . SER    A  1  138 ? -21.340 -33.698 13.179  1.00 79.41 138 A  1 
ATOM   1076 N N     . THR    A  1  139 ? -20.427 -35.867 9.386   1.00 92.75 139 A  1 
ATOM   1077 C CA    . THR    A  1  139 ? -19.839 -36.880 8.513   1.00 92.74 139 A  1 
ATOM   1078 C C     . THR    A  1  139 ? -19.000 -36.219 7.420   1.00 92.99 139 A  1 
ATOM   1079 O O     . THR    A  1  139 ? -17.899 -36.672 7.111   1.00 90.26 139 A  1 
ATOM   1080 C CB    . THR    A  1  139 ? -20.934 -37.748 7.877   1.00 91.24 139 A  1 
ATOM   1081 O OG1   . THR    A  1  139 ? -21.680 -38.400 8.910   1.00 79.35 139 A  1 
ATOM   1082 C CG2   . THR    A  1  139 ? -20.323 -38.802 6.965   1.00 74.19 139 A  1 
ATOM   1083 N N     . GLN    A  1  140 ? -19.530 -35.157 6.855   1.00 92.56 140 A  1 
ATOM   1084 C CA    . GLN    A  1  140 ? -18.796 -34.435 5.820   1.00 92.38 140 A  1 
ATOM   1085 C C     . GLN    A  1  140 ? -17.525 -33.818 6.395   1.00 92.87 140 A  1 
ATOM   1086 O O     . GLN    A  1  140 ? -16.483 -33.794 5.739   1.00 90.77 140 A  1 
ATOM   1087 C CB    . GLN    A  1  140 ? -19.673 -33.339 5.210   1.00 90.88 140 A  1 
ATOM   1088 C CG    . GLN    A  1  140 ? -20.793 -33.865 4.331   1.00 86.99 140 A  1 
ATOM   1089 C CD    . GLN    A  1  140 ? -21.690 -32.758 3.819   1.00 84.75 140 A  1 
ATOM   1090 O OE1   . GLN    A  1  140 ? -22.271 -32.014 4.606   1.00 75.76 140 A  1 
ATOM   1091 N NE2   . GLN    A  1  140 ? -21.809 -32.638 2.508   1.00 73.94 140 A  1 
ATOM   1092 N N     . GLY    A  1  141 ? -17.626 -33.328 7.609   1.00 91.65 141 A  1 
ATOM   1093 C CA    . GLY    A  1  141 ? -16.462 -32.745 8.259   1.00 91.73 141 A  1 
ATOM   1094 C C     . GLY    A  1  141 ? -15.380 -33.778 8.500   1.00 92.62 141 A  1 
ATOM   1095 O O     . GLY    A  1  141 ? -14.198 -33.524 8.264   1.00 90.50 141 A  1 
ATOM   1096 N N     . GLU    A  1  142 ? -15.786 -34.937 8.957   1.00 93.43 142 A  1 
ATOM   1097 C CA    . GLU    A  1  142 ? -14.824 -36.007 9.218   1.00 93.52 142 A  1 
ATOM   1098 C C     . GLU    A  1  142 ? -14.190 -36.486 7.912   1.00 93.92 142 A  1 
ATOM   1099 O O     . GLU    A  1  142 ? -12.997 -36.791 7.864   1.00 91.80 142 A  1 
ATOM   1100 C CB    . GLU    A  1  142 ? -15.510 -37.168 9.942   1.00 91.90 142 A  1 
ATOM   1101 C CG    . GLU    A  1  142 ? -14.625 -38.380 10.205  1.00 80.65 142 A  1 
ATOM   1102 C CD    . GLU    A  1  142 ? -13.411 -38.078 11.064  1.00 79.81 142 A  1 
ATOM   1103 O OE1   . GLU    A  1  142 ? -13.406 -37.051 11.772  1.00 73.08 142 A  1 
ATOM   1104 O OE2   . GLU    A  1  142 ? -12.455 -38.877 11.033  1.00 72.79 142 A  1 
ATOM   1105 N N     . GLU    A  1  143 ? -14.989 -36.536 6.861   1.00 94.03 143 A  1 
ATOM   1106 C CA    . GLU    A  1  143 ? -14.468 -36.939 5.556   1.00 93.86 143 A  1 
ATOM   1107 C C     . GLU    A  1  143 ? -13.401 -35.947 5.096   1.00 94.07 143 A  1 
ATOM   1108 O O     . GLU    A  1  143 ? -12.356 -36.341 4.568   1.00 91.53 143 A  1 
ATOM   1109 C CB    . GLU    A  1  143 ? -15.599 -37.012 4.532   1.00 92.58 143 A  1 
ATOM   1110 C CG    . GLU    A  1  143 ? -15.153 -37.455 3.144   1.00 79.68 143 A  1 
ATOM   1111 C CD    . GLU    A  1  143 ? -16.306 -37.571 2.160   1.00 71.83 143 A  1 
ATOM   1112 O OE1   . GLU    A  1  143 ? -17.453 -37.258 2.542   1.00 63.17 143 A  1 
ATOM   1113 O OE2   . GLU    A  1  143 ? -16.064 -37.978 1.006   1.00 63.35 143 A  1 
ATOM   1114 N N     . LEU    A  1  144 ? -13.676 -34.682 5.308   1.00 93.14 144 A  1 
ATOM   1115 C CA    . LEU    A  1  144 ? -12.718 -33.651 4.921   1.00 93.19 144 A  1 
ATOM   1116 C C     . LEU    A  1  144 ? -11.435 -33.780 5.734   1.00 93.28 144 A  1 
ATOM   1117 O O     . LEU    A  1  144 ? -10.336 -33.613 5.203   1.00 91.14 144 A  1 
ATOM   1118 C CB    . LEU    A  1  144 ? -13.329 -32.262 5.112   1.00 92.08 144 A  1 
ATOM   1119 C CG    . LEU    A  1  144 ? -12.452 -31.067 4.729   1.00 89.62 144 A  1 
ATOM   1120 C CD1   . LEU    A  1  144 ? -12.037 -31.143 3.268   1.00 81.03 144 A  1 
ATOM   1121 C CD2   . LEU    A  1  144 ? -13.204 -29.771 4.995   1.00 81.79 144 A  1 
ATOM   1122 N N     . ARG    A  1  145 ? -11.582 -34.081 7.015   1.00 93.06 145 A  1 
ATOM   1123 C CA    . ARG    A  1  145 ? -10.408 -34.261 7.870   1.00 93.19 145 A  1 
ATOM   1124 C C     . ARG    A  1  145 ? -9.497  -35.341 7.289   1.00 92.72 145 A  1 
ATOM   1125 O O     . ARG    A  1  145 ? -8.280  -35.174 7.236   1.00 90.74 145 A  1 
ATOM   1126 C CB    . ARG    A  1  145 ? -10.814 -34.665 9.288   1.00 92.42 145 A  1 
ATOM   1127 C CG    . ARG    A  1  145 ? -9.621  -34.819 10.223  1.00 88.21 145 A  1 
ATOM   1128 C CD    . ARG    A  1  145 ? -9.936  -35.610 11.471  1.00 87.16 145 A  1 
ATOM   1129 N NE    . ARG    A  1  145 ? -10.251 -37.004 11.179  1.00 83.23 145 A  1 
ATOM   1130 C CZ    . ARG    A  1  145 ? -9.357  -37.930 10.836  1.00 81.23 145 A  1 
ATOM   1131 N NH1   . ARG    A  1  145 ? -8.067  -37.621 10.739  1.00 70.62 145 A  1 
ATOM   1132 N NH2   . ARG    A  1  145 ? -9.747  -39.168 10.590  1.00 74.63 145 A  1 
ATOM   1133 N N     . LYS    A  1  146 ? -10.107 -36.428 6.866   1.00 93.01 146 A  1 
ATOM   1134 C CA    . LYS    A  1  146 ? -9.330  -37.526 6.298   1.00 92.69 146 A  1 
ATOM   1135 C C     . LYS    A  1  146 ? -8.668  -37.115 4.985   1.00 91.84 146 A  1 
ATOM   1136 O O     . LYS    A  1  146 ? -7.521  -37.474 4.726   1.00 89.20 146 A  1 
ATOM   1137 C CB    . LYS    A  1  146 ? -10.224 -38.744 6.076   1.00 91.78 146 A  1 
ATOM   1138 C CG    . LYS    A  1  146 ? -10.747 -39.368 7.361   1.00 83.89 146 A  1 
ATOM   1139 C CD    . LYS    A  1  146 ? -11.663 -40.543 7.077   1.00 81.26 146 A  1 
ATOM   1140 C CE    . LYS    A  1  146 ? -12.200 -41.148 8.365   1.00 71.46 146 A  1 
ATOM   1141 N NZ    . LYS    A  1  146 ? -13.140 -42.276 8.107   1.00 63.13 146 A  1 
ATOM   1142 N N     . GLN    A  1  147 ? -9.395  -36.368 4.185   1.00 93.33 147 A  1 
ATOM   1143 C CA    . GLN    A  1  147 ? -8.866  -35.936 2.895   1.00 92.76 147 A  1 
ATOM   1144 C C     . GLN    A  1  147 ? -7.645  -35.032 3.038   1.00 92.39 147 A  1 
ATOM   1145 O O     . GLN    A  1  147 ? -6.692  -35.146 2.268   1.00 89.04 147 A  1 
ATOM   1146 C CB    . GLN    A  1  147 ? -9.943  -35.204 2.095   1.00 91.18 147 A  1 
ATOM   1147 C CG    . GLN    A  1  147 ? -11.065 -36.101 1.602   1.00 81.72 147 A  1 
ATOM   1148 C CD    . GLN    A  1  147 ? -12.160 -35.330 0.890   1.00 79.21 147 A  1 
ATOM   1149 O OE1   . GLN    A  1  147 ? -12.274 -34.114 1.037   1.00 70.77 147 A  1 
ATOM   1150 N NE2   . GLN    A  1  147 ? -12.980 -36.035 0.120   1.00 68.69 147 A  1 
ATOM   1151 N N     . ILE    A  1  148 ? -7.674  -34.160 4.005   1.00 91.72 148 A  1 
ATOM   1152 C CA    . ILE    A  1  148 ? -6.565  -33.219 4.171   1.00 90.82 148 A  1 
ATOM   1153 C C     . ILE    A  1  148 ? -5.504  -33.708 5.155   1.00 90.28 148 A  1 
ATOM   1154 O O     . ILE    A  1  148 ? -4.463  -33.066 5.318   1.00 86.74 148 A  1 
ATOM   1155 C CB    . ILE    A  1  148 ? -7.063  -31.828 4.616   1.00 89.59 148 A  1 
ATOM   1156 C CG1   . ILE    A  1  148 ? -7.610  -31.878 6.044   1.00 81.86 148 A  1 
ATOM   1157 C CG2   . ILE    A  1  148 ? -8.118  -31.311 3.642   1.00 80.04 148 A  1 
ATOM   1158 C CD1   . ILE    A  1  148 ? -7.989  -30.519 6.606   1.00 79.12 148 A  1 
ATOM   1159 N N     . GLY    A  1  149 ? -5.776  -34.817 5.802   1.00 90.18 149 A  1 
ATOM   1160 C CA    . GLY    A  1  149 ? -4.815  -35.360 6.749   1.00 89.64 149 A  1 
ATOM   1161 C C     . GLY    A  1  149 ? -4.710  -34.581 8.050   1.00 90.24 149 A  1 
ATOM   1162 O O     . GLY    A  1  149 ? -3.666  -34.584 8.694   1.00 87.09 149 A  1 
ATOM   1163 N N     . ALA    A  1  150 ? -5.784  -33.926 8.428   1.00 89.76 150 A  1 
ATOM   1164 C CA    . ALA    A  1  150 ? -5.776  -33.159 9.672   1.00 90.65 150 A  1 
ATOM   1165 C C     . ALA    A  1  150 ? -5.668  -34.101 10.870  1.00 90.92 150 A  1 
ATOM   1166 O O     . ALA    A  1  150 ? -6.209  -35.206 10.854  1.00 88.61 150 A  1 
ATOM   1167 C CB    . ALA    A  1  150 ? -7.034  -32.312 9.784   1.00 89.93 150 A  1 
ATOM   1168 N N     . ALA    A  1  151 ? -4.975  -33.642 11.895  1.00 90.87 151 A  1 
ATOM   1169 C CA    . ALA    A  1  151 ? -4.782  -34.456 13.090  1.00 90.66 151 A  1 
ATOM   1170 C C     . ALA    A  1  151 ? -6.081  -34.687 13.857  1.00 91.02 151 A  1 
ATOM   1171 O O     . ALA    A  1  151 ? -6.222  -35.691 14.555  1.00 88.35 151 A  1 
ATOM   1172 C CB    . ALA    A  1  151 ? -3.751  -33.803 14.000  1.00 89.10 151 A  1 
ATOM   1173 N N     . ALA    A  1  152 ? -7.009  -33.764 13.729  1.00 91.62 152 A  1 
ATOM   1174 C CA    . ALA    A  1  152 ? -8.277  -33.888 14.436  1.00 91.57 152 A  1 
ATOM   1175 C C     . ALA    A  1  152 ? -9.347  -33.030 13.786  1.00 91.87 152 A  1 
ATOM   1176 O O     . ALA    A  1  152 ? -9.035  -32.105 13.033  1.00 89.93 152 A  1 
ATOM   1177 C CB    . ALA    A  1  152 ? -8.109  -33.480 15.894  1.00 90.34 152 A  1 
ATOM   1178 N N     . TYR    A  1  153 ? -10.586 -33.352 14.090  1.00 92.39 153 A  1 
ATOM   1179 C CA    . TYR    A  1  153 ? -11.725 -32.580 13.605  1.00 92.97 153 A  1 
ATOM   1180 C C     . TYR    A  1  153 ? -12.640 -32.318 14.792  1.00 93.08 153 A  1 
ATOM   1181 O O     . TYR    A  1  153 ? -13.030 -33.249 15.494  1.00 90.99 153 A  1 
ATOM   1182 C CB    . TYR    A  1  153 ? -12.498 -33.337 12.524  1.00 92.14 153 A  1 
ATOM   1183 C CG    . TYR    A  1  153 ? -13.809 -32.668 12.153  1.00 91.75 153 A  1 
ATOM   1184 C CD1   . TYR    A  1  153 ? -13.829 -31.370 11.654  1.00 86.43 153 A  1 
ATOM   1185 C CD2   . TYR    A  1  153 ? -15.024 -33.325 12.317  1.00 86.99 153 A  1 
ATOM   1186 C CE1   . TYR    A  1  153 ? -15.024 -30.742 11.331  1.00 86.22 153 A  1 
ATOM   1187 C CE2   . TYR    A  1  153 ? -16.227 -32.707 11.992  1.00 85.47 153 A  1 
ATOM   1188 C CZ    . TYR    A  1  153 ? -16.221 -31.413 11.500  1.00 89.26 153 A  1 
ATOM   1189 O OH    . TYR    A  1  153 ? -17.406 -30.786 11.179  1.00 88.17 153 A  1 
ATOM   1190 N N     . ILE    A  1  154 ? -12.964 -31.065 14.993  1.00 93.80 154 A  1 
ATOM   1191 C CA    . ILE    A  1  154 ? -13.816 -30.675 16.112  1.00 93.94 154 A  1 
ATOM   1192 C C     . ILE    A  1  154 ? -14.860 -29.682 15.631  1.00 93.94 154 A  1 
ATOM   1193 O O     . ILE    A  1  154 ? -14.567 -28.811 14.813  1.00 91.14 154 A  1 
ATOM   1194 C CB    . ILE    A  1  154 ? -12.992 -30.022 17.242  1.00 92.23 154 A  1 
ATOM   1195 C CG1   . ILE    A  1  154 ? -11.909 -30.984 17.732  1.00 78.15 154 A  1 
ATOM   1196 C CG2   . ILE    A  1  154 ? -13.894 -29.604 18.400  1.00 77.58 154 A  1 
ATOM   1197 C CD1   . ILE    A  1  154 ? -10.911 -30.355 18.671  1.00 75.05 154 A  1 
ATOM   1198 N N     . GLU    A  1  155 ? -16.067 -29.819 16.143  1.00 93.20 155 A  1 
ATOM   1199 C CA    . GLU    A  1  155 ? -17.136 -28.883 15.823  1.00 93.19 155 A  1 
ATOM   1200 C C     . GLU    A  1  155 ? -17.391 -28.048 17.067  1.00 93.16 155 A  1 
ATOM   1201 O O     . GLU    A  1  155 ? -17.494 -28.593 18.165  1.00 90.69 155 A  1 
ATOM   1202 C CB    . GLU    A  1  155 ? -18.401 -29.625 15.401  1.00 91.43 155 A  1 
ATOM   1203 C CG    . GLU    A  1  155 ? -18.214 -30.450 14.139  1.00 88.36 155 A  1 
ATOM   1204 C CD    . GLU    A  1  155 ? -19.479 -31.159 13.688  1.00 89.30 155 A  1 
ATOM   1205 O OE1   . GLU    A  1  155 ? -20.366 -31.399 14.532  1.00 83.37 155 A  1 
ATOM   1206 O OE2   . GLU    A  1  155 ? -19.580 -31.487 12.488  1.00 84.36 155 A  1 
ATOM   1207 N N     . CYS    A  1  156 ? -17.485 -26.757 16.891  1.00 92.51 156 A  1 
ATOM   1208 C CA    . CYS    A  1  156 ? -17.676 -25.892 18.048  1.00 92.26 156 A  1 
ATOM   1209 C C     . CYS    A  1  156 ? -18.609 -24.727 17.765  1.00 92.33 156 A  1 
ATOM   1210 O O     . CYS    A  1  156 ? -18.946 -24.438 16.618  1.00 90.12 156 A  1 
ATOM   1211 C CB    . CYS    A  1  156 ? -16.330 -25.346 18.527  1.00 90.37 156 A  1 
ATOM   1212 S SG    . CYS    A  1  156 ? -15.601 -24.115 17.426  1.00 86.06 156 A  1 
ATOM   1213 N N     . SER    A  1  157 ? -19.009 -24.080 18.832  1.00 92.38 157 A  1 
ATOM   1214 C CA    . SER    A  1  157 ? -19.844 -22.892 18.744  1.00 92.26 157 A  1 
ATOM   1215 C C     . SER    A  1  157 ? -19.304 -21.856 19.714  1.00 91.89 157 A  1 
ATOM   1216 O O     . SER    A  1  157 ? -19.260 -22.097 20.920  1.00 89.06 157 A  1 
ATOM   1217 C CB    . SER    A  1  157 ? -21.290 -23.204 19.103  1.00 91.13 157 A  1 
ATOM   1218 O OG    . SER    A  1  157 ? -22.033 -21.997 19.240  1.00 83.28 157 A  1 
ATOM   1219 N N     . SER    A  1  158 ? -18.906 -20.727 19.191  1.00 91.34 158 A  1 
ATOM   1220 C CA    . SER    A  1  158 ? -18.422 -19.654 20.050  1.00 90.62 158 A  1 
ATOM   1221 C C     . SER    A  1  158 ? -19.582 -19.020 20.809  1.00 90.13 158 A  1 
ATOM   1222 O O     . SER    A  1  158 ? -19.413 -18.567 21.939  1.00 87.14 158 A  1 
ATOM   1223 C CB    . SER    A  1  158 ? -17.703 -18.591 19.225  1.00 89.50 158 A  1 
ATOM   1224 O OG    . SER    A  1  158 ? -16.555 -19.131 18.604  1.00 80.83 158 A  1 
ATOM   1225 N N     . LYS    A  1  159 ? -20.736 -18.999 20.186  1.00 90.09 159 A  1 
ATOM   1226 C CA    . LYS    A  1  159 ? -21.905 -18.398 20.817  1.00 89.76 159 A  1 
ATOM   1227 C C     . LYS    A  1  159 ? -22.310 -19.135 22.090  1.00 89.59 159 A  1 
ATOM   1228 O O     . LYS    A  1  159 ? -22.640 -18.506 23.098  1.00 86.68 159 A  1 
ATOM   1229 C CB    . LYS    A  1  159 ? -23.073 -18.367 19.837  1.00 88.18 159 A  1 
ATOM   1230 C CG    . LYS    A  1  159 ? -24.286 -17.617 20.362  1.00 84.49 159 A  1 
ATOM   1231 C CD    . LYS    A  1  159 ? -25.385 -17.538 19.321  1.00 80.07 159 A  1 
ATOM   1232 C CE    . LYS    A  1  159 ? -26.578 -16.759 19.843  1.00 74.39 159 A  1 
ATOM   1233 N NZ    . LYS    A  1  159 ? -27.668 -16.673 18.834  1.00 67.08 159 A  1 
ATOM   1234 N N     . THR    A  1  160 ? -22.275 -20.448 22.040  1.00 90.28 160 A  1 
ATOM   1235 C CA    . THR    A  1  160 ? -22.638 -21.256 23.207  1.00 89.51 160 A  1 
ATOM   1236 C C     . THR    A  1  160 ? -21.412 -21.723 23.988  1.00 89.44 160 A  1 
ATOM   1237 O O     . THR    A  1  160 ? -21.553 -22.327 25.053  1.00 84.92 160 A  1 
ATOM   1238 C CB    . THR    A  1  160 ? -23.439 -22.500 22.797  1.00 87.80 160 A  1 
ATOM   1239 O OG1   . THR    A  1  160 ? -22.596 -23.385 22.052  1.00 77.51 160 A  1 
ATOM   1240 C CG2   . THR    A  1  160 ? -24.647 -22.121 21.952  1.00 75.18 160 A  1 
ATOM   1241 N N     . GLN    A  1  161 ? -20.239 -21.458 23.438  1.00 90.57 161 A  1 
ATOM   1242 C CA    . GLN    A  1  161 ? -18.968 -21.871 24.034  1.00 90.55 161 A  1 
ATOM   1243 C C     . GLN    A  1  161 ? -18.743 -23.381 23.958  1.00 91.25 161 A  1 
ATOM   1244 O O     . GLN    A  1  161 ? -17.799 -23.903 24.549  1.00 87.68 161 A  1 
ATOM   1245 C CB    . GLN    A  1  161 ? -18.848 -21.391 25.485  1.00 87.96 161 A  1 
ATOM   1246 C CG    . GLN    A  1  161 ? -18.932 -19.879 25.639  1.00 80.18 161 A  1 
ATOM   1247 C CD    . GLN    A  1  161 ? -18.719 -19.421 27.070  1.00 74.12 161 A  1 
ATOM   1248 O OE1   . GLN    A  1  161 ? -18.066 -20.099 27.858  1.00 66.34 161 A  1 
ATOM   1249 N NE2   . GLN    A  1  161 ? -19.264 -18.261 27.413  1.00 63.53 161 A  1 
ATOM   1250 N N     . GLN    A  1  162 ? -19.589 -24.067 23.230  1.00 91.01 162 A  1 
ATOM   1251 C CA    . GLN    A  1  162 ? -19.469 -25.514 23.106  1.00 91.23 162 A  1 
ATOM   1252 C C     . GLN    A  1  162 ? -18.205 -25.908 22.345  1.00 91.57 162 A  1 
ATOM   1253 O O     . GLN    A  1  162 ? -17.987 -25.475 21.218  1.00 88.52 162 A  1 
ATOM   1254 C CB    . GLN    A  1  162 ? -20.694 -26.087 22.400  1.00 89.60 162 A  1 
ATOM   1255 C CG    . GLN    A  1  162 ? -20.678 -27.606 22.275  1.00 81.45 162 A  1 
ATOM   1256 C CD    . GLN    A  1  162 ? -21.930 -28.154 21.613  1.00 77.63 162 A  1 
ATOM   1257 O OE1   . GLN    A  1  162 ? -22.815 -27.403 21.206  1.00 70.16 162 A  1 
ATOM   1258 N NE2   . GLN    A  1  162 ? -22.013 -29.472 21.500  1.00 66.97 162 A  1 
ATOM   1259 N N     . ASN    A  1  163 ? -17.394 -26.730 22.983  1.00 89.99 163 A  1 
ATOM   1260 C CA    . ASN    A  1  163 ? -16.164 -27.270 22.406  1.00 90.78 163 A  1 
ATOM   1261 C C     . ASN    A  1  163 ? -15.070 -26.261 22.061  1.00 91.06 163 A  1 
ATOM   1262 O O     . ASN    A  1  163 ? -14.064 -26.634 21.462  1.00 86.83 163 A  1 
ATOM   1263 C CB    . ASN    A  1  163 ? -16.465 -28.120 21.160  1.00 88.97 163 A  1 
ATOM   1264 C CG    . ASN    A  1  163 ? -17.107 -29.445 21.507  1.00 88.33 163 A  1 
ATOM   1265 O OD1   . ASN    A  1  163 ? -16.940 -29.960 22.607  1.00 78.28 163 A  1 
ATOM   1266 N ND2   . ASN    A  1  163 ? -17.844 -30.010 20.556  1.00 78.33 163 A  1 
ATOM   1267 N N     . VAL    A  1  164 ? -15.250 -25.022 22.446  1.00 91.03 164 A  1 
ATOM   1268 C CA    . VAL    A  1  164 ? -14.216 -24.033 22.134  1.00 91.01 164 A  1 
ATOM   1269 C C     . VAL    A  1  164 ? -12.926 -24.371 22.876  1.00 90.69 164 A  1 
ATOM   1270 O O     . VAL    A  1  164 ? -11.839 -24.351 22.298  1.00 88.38 164 A  1 
ATOM   1271 C CB    . VAL    A  1  164 ? -14.683 -22.606 22.471  1.00 90.00 164 A  1 
ATOM   1272 C CG1   . VAL    A  1  164 ? -13.529 -21.618 22.342  1.00 80.58 164 A  1 
ATOM   1273 C CG2   . VAL    A  1  164 ? -15.816 -22.202 21.538  1.00 80.87 164 A  1 
ATOM   1274 N N     . LYS    A  1  165 ? -13.049 -24.685 24.141  1.00 90.72 165 A  1 
ATOM   1275 C CA    . LYS    A  1  165 ? -11.866 -25.052 24.909  1.00 90.01 165 A  1 
ATOM   1276 C C     . LYS    A  1  165 ? -11.261 -26.340 24.349  1.00 90.43 165 A  1 
ATOM   1277 O O     . LYS    A  1  165 ? -10.042 -26.495 24.307  1.00 88.65 165 A  1 
ATOM   1278 C CB    . LYS    A  1  165 ? -12.216 -25.232 26.386  1.00 88.00 165 A  1 
ATOM   1279 C CG    . LYS    A  1  165 ? -11.013 -25.518 27.275  1.00 80.53 165 A  1 
ATOM   1280 C CD    . LYS    A  1  165 ? -11.411 -25.620 28.739  1.00 74.99 165 A  1 
ATOM   1281 C CE    . LYS    A  1  165 ? -10.194 -25.800 29.636  1.00 66.21 165 A  1 
ATOM   1282 N NZ    . LYS    A  1  165 ? -9.473  -27.073 29.374  1.00 58.97 165 A  1 
ATOM   1283 N N     . ALA    A  1  166 ? -12.118 -27.247 23.916  1.00 91.25 166 A  1 
ATOM   1284 C CA    . ALA    A  1  166 ? -11.653 -28.514 23.357  1.00 91.65 166 A  1 
ATOM   1285 C C     . ALA    A  1  166 ? -10.794 -28.302 22.112  1.00 92.09 166 A  1 
ATOM   1286 O O     . ALA    A  1  166 ? -9.854  -29.058 21.871  1.00 89.37 166 A  1 
ATOM   1287 C CB    . ALA    A  1  166 ? -12.842 -29.409 23.027  1.00 90.60 166 A  1 
ATOM   1288 N N     . VAL    A  1  167 ? -11.129 -27.293 21.335  1.00 91.20 167 A  1 
ATOM   1289 C CA    . VAL    A  1  167 ? -10.360 -27.003 20.125  1.00 91.36 167 A  1 
ATOM   1290 C C     . VAL    A  1  167 ? -8.896  -26.745 20.466  1.00 91.15 167 A  1 
ATOM   1291 O O     . VAL    A  1  167 ? -7.987  -27.349 19.887  1.00 89.15 167 A  1 
ATOM   1292 C CB    . VAL    A  1  167 ? -10.929 -25.782 19.377  1.00 90.75 167 A  1 
ATOM   1293 C CG1   . VAL    A  1  167 ? -9.969  -25.325 18.280  1.00 81.58 167 A  1 
ATOM   1294 C CG2   . VAL    A  1  167 ? -12.286 -26.119 18.777  1.00 82.48 167 A  1 
ATOM   1295 N N     . PHE    A  1  168 ? -8.677  -25.853 21.395  1.00 91.18 168 A  1 
ATOM   1296 C CA    . PHE    A  1  168 ? -7.309  -25.482 21.727  1.00 90.60 168 A  1 
ATOM   1297 C C     . PHE    A  1  168 ? -6.599  -26.492 22.613  1.00 90.60 168 A  1 
ATOM   1298 O O     . PHE    A  1  168 ? -5.382  -26.647 22.513  1.00 87.60 168 A  1 
ATOM   1299 C CB    . PHE    A  1  168 ? -7.299  -24.075 22.307  1.00 89.37 168 A  1 
ATOM   1300 C CG    . PHE    A  1  168 ? -7.797  -23.056 21.321  1.00 88.68 168 A  1 
ATOM   1301 C CD1   . PHE    A  1  168 ? -6.972  -22.611 20.298  1.00 82.11 168 A  1 
ATOM   1302 C CD2   . PHE    A  1  168 ? -9.111  -22.614 21.358  1.00 82.31 168 A  1 
ATOM   1303 C CE1   . PHE    A  1  168 ? -7.447  -21.731 19.338  1.00 81.04 168 A  1 
ATOM   1304 C CE2   . PHE    A  1  168 ? -9.591  -21.735 20.397  1.00 79.65 168 A  1 
ATOM   1305 C CZ    . PHE    A  1  168 ? -8.756  -21.292 19.386  1.00 83.89 168 A  1 
ATOM   1306 N N     . ASP    A  1  169 ? -7.349  -27.178 23.443  1.00 90.21 169 A  1 
ATOM   1307 C CA    . ASP    A  1  169 ? -6.733  -28.243 24.232  1.00 89.65 169 A  1 
ATOM   1308 C C     . ASP    A  1  169 ? -6.227  -29.325 23.276  1.00 90.14 169 A  1 
ATOM   1309 O O     . ASP    A  1  169 ? -5.134  -29.863 23.453  1.00 88.08 169 A  1 
ATOM   1310 C CB    . ASP    A  1  169 ? -7.736  -28.857 25.210  1.00 87.74 169 A  1 
ATOM   1311 C CG    . ASP    A  1  169 ? -7.997  -27.978 26.424  1.00 83.57 169 A  1 
ATOM   1312 O OD1   . ASP    A  1  169 ? -7.247  -27.009 26.646  1.00 76.21 169 A  1 
ATOM   1313 O OD2   . ASP    A  1  169 ? -8.956  -28.277 27.164  1.00 76.39 169 A  1 
ATOM   1314 N N     . THR    A  1  170 ? -7.024  -29.618 22.267  1.00 90.23 170 A  1 
ATOM   1315 C CA    . THR    A  1  170 ? -6.638  -30.623 21.280  1.00 90.63 170 A  1 
ATOM   1316 C C     . THR    A  1  170 ? -5.423  -30.150 20.484  1.00 90.90 170 A  1 
ATOM   1317 O O     . THR    A  1  170 ? -4.505  -30.928 20.221  1.00 88.83 170 A  1 
ATOM   1318 C CB    . THR    A  1  170 ? -7.801  -30.929 20.324  1.00 90.03 170 A  1 
ATOM   1319 O OG1   . THR    A  1  170 ? -8.895  -31.469 21.071  1.00 78.35 170 A  1 
ATOM   1320 C CG2   . THR    A  1  170 ? -7.383  -31.933 19.257  1.00 76.25 170 A  1 
ATOM   1321 N N     . ALA    A  1  171 ? -5.434  -28.893 20.115  1.00 90.76 171 A  1 
ATOM   1322 C CA    . ALA    A  1  171 ? -4.305  -28.343 19.368  1.00 90.69 171 A  1 
ATOM   1323 C C     . ALA    A  1  171 ? -3.013  -28.490 20.172  1.00 90.59 171 A  1 
ATOM   1324 O O     . ALA    A  1  171 ? -1.980  -28.899 19.638  1.00 88.54 171 A  1 
ATOM   1325 C CB    . ALA    A  1  171 ? -4.556  -26.880 19.035  1.00 90.21 171 A  1 
ATOM   1326 N N     . ILE    A  1  172 ? -3.084  -28.168 21.446  1.00 90.15 172 A  1 
ATOM   1327 C CA    . ILE    A  1  172 ? -1.906  -28.285 22.302  1.00 89.50 172 A  1 
ATOM   1328 C C     . ILE    A  1  172 ? -1.465  -29.743 22.399  1.00 88.93 172 A  1 
ATOM   1329 O O     . ILE    A  1  172 ? -0.274  -30.051 22.308  1.00 86.83 172 A  1 
ATOM   1330 C CB    . ILE    A  1  172 ? -2.193  -27.717 23.705  1.00 88.34 172 A  1 
ATOM   1331 C CG1   . ILE    A  1  172 ? -2.397  -26.199 23.618  1.00 81.92 172 A  1 
ATOM   1332 C CG2   . ILE    A  1  172 ? -1.053  -28.051 24.661  1.00 81.25 172 A  1 
ATOM   1333 C CD1   . ILE    A  1  172 ? -2.961  -25.574 24.877  1.00 77.65 172 A  1 
ATOM   1334 N N     . LYS    A  1  173 ? -2.418  -30.632 22.563  1.00 89.69 173 A  1 
ATOM   1335 C CA    . LYS    A  1  173 ? -2.094  -32.052 22.668  1.00 89.10 173 A  1 
ATOM   1336 C C     . LYS    A  1  173 ? -1.445  -32.583 21.393  1.00 88.94 173 A  1 
ATOM   1337 O O     . LYS    A  1  173 ? -0.550  -33.420 21.455  1.00 86.37 173 A  1 
ATOM   1338 C CB    . LYS    A  1  173 ? -3.346  -32.866 22.995  1.00 87.79 173 A  1 
ATOM   1339 C CG    . LYS    A  1  173 ? -3.871  -32.644 24.404  1.00 81.18 173 A  1 
ATOM   1340 C CD    . LYS    A  1  173 ? -5.130  -33.448 24.667  1.00 76.62 173 A  1 
ATOM   1341 C CE    . LYS    A  1  173 ? -5.659  -33.196 26.071  1.00 68.63 173 A  1 
ATOM   1342 N NZ    . LYS    A  1  173 ? -6.918  -33.943 26.342  1.00 61.61 173 A  1 
ATOM   1343 N N     . VAL    A  1  174 ? -1.901  -32.101 20.262  1.00 89.05 174 A  1 
ATOM   1344 C CA    . VAL    A  1  174 ? -1.321  -32.541 18.995  1.00 88.88 174 A  1 
ATOM   1345 C C     . VAL    A  1  174 ? 0.148   -32.127 18.925  1.00 88.40 174 A  1 
ATOM   1346 O O     . VAL    A  1  174 ? 1.002   -32.896 18.476  1.00 85.83 174 A  1 
ATOM   1347 C CB    . VAL    A  1  174 ? -2.095  -31.967 17.793  1.00 88.62 174 A  1 
ATOM   1348 C CG1   . VAL    A  1  174 ? -1.338  -32.215 16.491  1.00 80.57 174 A  1 
ATOM   1349 C CG2   . VAL    A  1  174 ? -3.478  -32.601 17.711  1.00 81.18 174 A  1 
ATOM   1350 N N     . VAL    A  1  175 ? 0.428   -30.929 19.375  1.00 88.87 175 A  1 
ATOM   1351 C CA    . VAL    A  1  175 ? 1.810   -30.450 19.361  1.00 87.91 175 A  1 
ATOM   1352 C C     . VAL    A  1  175 ? 2.667   -31.240 20.347  1.00 86.31 175 A  1 
ATOM   1353 O O     . VAL    A  1  175 ? 3.824   -31.566 20.061  1.00 82.22 175 A  1 
ATOM   1354 C CB    . VAL    A  1  175 ? 1.881   -28.949 19.698  1.00 87.38 175 A  1 
ATOM   1355 C CG1   . VAL    A  1  175 ? 3.331   -28.497 19.844  1.00 78.88 175 A  1 
ATOM   1356 C CG2   . VAL    A  1  175 ? 1.187   -28.138 18.619  1.00 80.27 175 A  1 
ATOM   1357 N N     . LEU    A  1  176 ? 2.096   -31.540 21.494  1.00 87.09 176 A  1 
ATOM   1358 C CA    . LEU    A  1  176 ? 2.824   -32.254 22.540  1.00 84.78 176 A  1 
ATOM   1359 C C     . LEU    A  1  176 ? 2.669   -33.773 22.469  1.00 81.84 176 A  1 
ATOM   1360 O O     . LEU    A  1  176 ? 2.988   -34.474 23.431  1.00 74.82 176 A  1 
ATOM   1361 C CB    . LEU    A  1  176 ? 2.366   -31.766 23.914  1.00 82.92 176 A  1 
ATOM   1362 C CG    . LEU    A  1  176 ? 2.512   -30.267 24.198  1.00 79.99 176 A  1 
ATOM   1363 C CD1   . LEU    A  1  176 ? 1.924   -29.932 25.558  1.00 74.08 176 A  1 
ATOM   1364 C CD2   . LEU    A  1  176 ? 3.971   -29.848 24.127  1.00 74.14 176 A  1 
ATOM   1365 N N     . GLN    A  1  177 ? 2.201   -34.272 21.356  1.00 82.00 177 A  1 
ATOM   1366 C CA    . GLN    A  1  177 ? 1.929   -35.706 21.222  1.00 79.12 177 A  1 
ATOM   1367 C C     . GLN    A  1  177 ? 3.074   -36.673 21.543  1.00 77.73 177 A  1 
ATOM   1368 O O     . GLN    A  1  177 ? 2.814   -37.753 22.077  1.00 70.01 177 A  1 
ATOM   1369 C CB    . GLN    A  1  177 ? 1.368   -36.011 19.833  1.00 74.26 177 A  1 
ATOM   1370 C CG    . GLN    A  1  177 ? 2.297   -35.691 18.680  1.00 65.37 177 A  1 
ATOM   1371 C CD    . GLN    A  1  177 ? 1.655   -35.963 17.331  1.00 60.79 177 A  1 
ATOM   1372 O OE1   . GLN    A  1  177 ? 0.874   -36.903 17.187  1.00 54.94 177 A  1 
ATOM   1373 N NE2   . GLN    A  1  177 ? 1.980   -35.148 16.336  1.00 52.46 177 A  1 
ATOM   1374 N N     . PRO    A  1  178 ? 4.321   -36.349 21.243  1.00 71.39 178 A  1 
ATOM   1375 C CA    . PRO    A  1  178 ? 5.383   -37.317 21.546  1.00 68.35 178 A  1 
ATOM   1376 C C     . PRO    A  1  178 ? 5.403   -37.688 23.029  1.00 67.42 178 A  1 
ATOM   1377 O O     . PRO    A  1  178 ? 5.299   -36.813 23.888  1.00 61.25 178 A  1 
ATOM   1378 C CB    . PRO    A  1  178 ? 6.656   -36.577 21.142  1.00 62.51 178 A  1 
ATOM   1379 C CG    . PRO    A  1  178 ? 6.198   -35.619 20.101  1.00 58.77 178 A  1 
ATOM   1380 C CD    . PRO    A  1  178 ? 4.856   -35.155 20.584  1.00 61.54 178 A  1 
ATOM   1381 N N     . PRO    A  1  179 ? 5.547   -38.966 23.328  1.00 61.79 179 A  1 
ATOM   1382 C CA    . PRO    A  1  179 ? 5.573   -39.414 24.723  1.00 58.96 179 A  1 
ATOM   1383 C C     . PRO    A  1  179 ? 6.920   -39.129 25.384  1.00 58.31 179 A  1 
ATOM   1384 O O     . PRO    A  1  179 ? 7.623   -40.046 25.807  1.00 53.23 179 A  1 
ATOM   1385 C CB    . PRO    A  1  179 ? 5.311   -40.916 24.600  1.00 52.68 179 A  1 
ATOM   1386 C CG    . PRO    A  1  179 ? 5.949   -41.269 23.294  1.00 50.26 179 A  1 
ATOM   1387 C CD    . PRO    A  1  179 ? 5.638   -40.091 22.392  1.00 52.78 179 A  1 
ATOM   1388 N N     . ARG    A  1  180 ? 7.261   -37.869 25.451  1.00 53.66 180 A  1 
ATOM   1389 C CA    . ARG    A  1  180 ? 8.537   -37.460 26.027  1.00 53.57 180 A  1 
ATOM   1390 C C     . ARG    A  1  180 ? 8.340   -36.220 26.892  1.00 52.92 180 A  1 
ATOM   1391 O O     . ARG    A  1  180 ? 7.462   -35.401 26.622  1.00 49.36 180 A  1 
ATOM   1392 C CB    . ARG    A  1  180 ? 9.545   -37.140 24.925  1.00 49.41 180 A  1 
ATOM   1393 C CG    . ARG    A  1  180 ? 9.944   -38.318 24.047  1.00 45.19 180 A  1 
ATOM   1394 C CD    . ARG    A  1  180 ? 10.876  -39.245 24.761  1.00 42.52 180 A  1 
ATOM   1395 N NE    . ARG    A  1  180 ? 11.382  -40.291 23.878  1.00 38.56 180 A  1 
ATOM   1396 C CZ    . ARG    A  1  180 ? 10.711  -41.382 23.533  1.00 34.54 180 A  1 
ATOM   1397 N NH1   . ARG    A  1  180 ? 9.492   -41.584 23.994  1.00 33.04 180 A  1 
ATOM   1398 N NH2   . ARG    A  1  180 ? 11.263  -42.265 22.724  1.00 30.73 180 A  1 
ATOM   1399 N N     . ARG    A  1  181 ? 9.170   -36.105 27.900  1.00 51.02 181 A  1 
ATOM   1400 C CA    . ARG    A  1  181 ? 9.130   -34.928 28.762  1.00 51.88 181 A  1 
ATOM   1401 C C     . ARG    A  1  181 ? 9.844   -33.764 28.084  1.00 51.92 181 A  1 
ATOM   1402 O O     . ARG    A  1  181 ? 9.542   -32.605 28.344  1.00 49.02 181 A  1 
ATOM   1403 C CB    . ARG    A  1  181 ? 9.815   -35.225 30.096  1.00 47.79 181 A  1 
ATOM   1404 C CG    . ARG    A  1  181 ? 9.037   -36.165 31.006  1.00 43.68 181 A  1 
ATOM   1405 C CD    . ARG    A  1  181 ? 7.899   -35.445 31.691  1.00 41.46 181 A  1 
ATOM   1406 N NE    . ARG    A  1  181 ? 7.202   -36.290 32.648  1.00 37.27 181 A  1 
ATOM   1407 C CZ    . ARG    A  1  181 ? 6.242   -35.876 33.465  1.00 33.22 181 A  1 
ATOM   1408 N NH1   . ARG    A  1  181 ? 5.848   -34.612 33.445  1.00 32.01 181 A  1 
ATOM   1409 N NH2   . ARG    A  1  181 ? 5.673   -36.722 34.297  1.00 29.78 181 A  1 
ATOM   1410 N N     . LYS    A  1  182 ? 10.788  -34.103 27.251  1.00 49.82 182 A  1 
ATOM   1411 C CA    . LYS    A  1  182 ? 11.564  -33.083 26.549  1.00 51.14 182 A  1 
ATOM   1412 C C     . LYS    A  1  182 ? 10.697  -32.244 25.615  1.00 51.20 182 A  1 
ATOM   1413 O O     . LYS    A  1  182 ? 9.586   -32.633 25.266  1.00 48.69 182 A  1 
ATOM   1414 C CB    . LYS    A  1  182 ? 12.685  -33.735 25.747  1.00 48.06 182 A  1 
ATOM   1415 C CG    . LYS    A  1  182 ? 13.751  -34.394 26.605  1.00 44.38 182 A  1 
ATOM   1416 C CD    . LYS    A  1  182 ? 14.777  -35.107 25.751  1.00 41.49 182 A  1 
ATOM   1417 C CE    . LYS    A  1  182 ? 15.585  -34.150 24.901  1.00 36.76 182 A  1 
ATOM   1418 N NZ    . LYS    A  1  182 ? 16.633  -34.856 24.117  1.00 33.69 182 A  1 
ATOM   1419 N N     . GLU    A  1  183 ? 11.242  -31.128 25.234  1.00 53.35 183 A  1 
ATOM   1420 C CA    . GLU    A  1  183 ? 10.535  -30.253 24.314  1.00 53.60 183 A  1 
ATOM   1421 C C     . GLU    A  1  183 ? 10.309  -30.976 22.991  1.00 52.71 183 A  1 
ATOM   1422 O O     . GLU    A  1  183 ? 11.124  -31.802 22.570  1.00 50.14 183 A  1 
ATOM   1423 C CB    . GLU    A  1  183 ? 11.321  -28.959 24.079  1.00 50.45 183 A  1 
ATOM   1424 C CG    . GLU    A  1  183 ? 12.662  -29.170 23.393  1.00 46.27 183 A  1 
ATOM   1425 C CD    . GLU    A  1  183 ? 13.421  -27.874 23.161  1.00 43.51 183 A  1 
ATOM   1426 O OE1   . GLU    A  1  183 ? 12.899  -26.809 23.535  1.00 40.40 183 A  1 
ATOM   1427 O OE2   . GLU    A  1  183 ? 14.537  -27.931 22.609  1.00 40.72 183 A  1 
ATOM   1428 N N     . VAL    A  1  184 ? 9.211   -30.639 22.359  1.00 52.29 184 A  1 
ATOM   1429 C CA    . VAL    A  1  184 ? 8.878   -31.261 21.086  1.00 53.44 184 A  1 
ATOM   1430 C C     . VAL    A  1  184 ? 9.435   -30.410 19.952  1.00 52.95 184 A  1 
ATOM   1431 O O     . VAL    A  1  184 ? 9.121   -29.223 19.859  1.00 49.85 184 A  1 
ATOM   1432 C CB    . VAL    A  1  184 ? 7.355   -31.398 20.928  1.00 50.01 184 A  1 
ATOM   1433 C CG1   . VAL    A  1  184 ? 7.017   -32.013 19.576  1.00 44.93 184 A  1 
ATOM   1434 C CG2   . VAL    A  1  184 ? 6.792   -32.252 22.056  1.00 45.47 184 A  1 
ATOM   1435 N N     . PRO    A  1  185 ? 10.238  -31.002 19.093  1.00 52.60 185 A  1 
ATOM   1436 C CA    . PRO    A  1  185 ? 10.783  -30.225 17.978  1.00 53.30 185 A  1 
ATOM   1437 C C     . PRO    A  1  185 ? 9.677   -29.863 16.994  1.00 53.34 185 A  1 
ATOM   1438 O O     . PRO    A  1  185 ? 8.698   -30.596 16.852  1.00 50.78 185 A  1 
ATOM   1439 C CB    . PRO    A  1  185 ? 11.804  -31.179 17.352  1.00 50.60 185 A  1 
ATOM   1440 C CG    . PRO    A  1  185 ? 11.291  -32.529 17.697  1.00 49.26 185 A  1 
ATOM   1441 C CD    . PRO    A  1  185 ? 10.727  -32.379 19.086  1.00 51.70 185 A  1 
ATOM   1442 N N     . ARG    A  1  186 ? 9.839   -28.747 16.341  1.00 54.59 186 A  1 
ATOM   1443 C CA    . ARG    A  1  186 ? 8.831   -28.314 15.389  1.00 56.05 186 A  1 
ATOM   1444 C C     . ARG    A  1  186 ? 8.793   -29.232 14.173  1.00 55.13 186 A  1 
ATOM   1445 O O     . ARG    A  1  186 ? 9.819   -29.749 13.738  1.00 52.01 186 A  1 
ATOM   1446 C CB    . ARG    A  1  186 ? 9.075   -26.873 14.971  1.00 52.86 186 A  1 
ATOM   1447 C CG    . ARG    A  1  186 ? 8.784   -25.904 16.099  1.00 49.15 186 A  1 
ATOM   1448 C CD    . ARG    A  1  186 ? 9.033   -24.470 15.711  1.00 46.85 186 A  1 
ATOM   1449 N NE    . ARG    A  1  186 ? 8.646   -23.576 16.792  1.00 42.61 186 A  1 
ATOM   1450 C CZ    . ARG    A  1  186 ? 8.865   -22.268 16.810  1.00 39.96 186 A  1 
ATOM   1451 N NH1   . ARG    A  1  186 ? 9.479   -21.681 15.798  1.00 38.22 186 A  1 
ATOM   1452 N NH2   . ARG    A  1  186 ? 8.472   -21.546 17.836  1.00 36.00 186 A  1 
ATOM   1453 N N     . ARG    A  1  187 ? 7.607   -29.399 13.651  1.00 52.57 187 A  1 
ATOM   1454 C CA    . ARG    A  1  187 ? 7.395   -30.265 12.499  1.00 54.38 187 A  1 
ATOM   1455 C C     . ARG    A  1  187 ? 7.992   -29.682 11.220  1.00 53.01 187 A  1 
ATOM   1456 O O     . ARG    A  1  187 ? 8.306   -30.413 10.285  1.00 50.43 187 A  1 
ATOM   1457 C CB    . ARG    A  1  187 ? 5.901   -30.498 12.307  1.00 51.22 187 A  1 
ATOM   1458 C CG    . ARG    A  1  187 ? 5.207   -31.085 13.527  1.00 47.51 187 A  1 
ATOM   1459 C CD    . ARG    A  1  187 ? 5.506   -32.553 13.681  1.00 45.27 187 A  1 
ATOM   1460 N NE    . ARG    A  1  187 ? 4.905   -33.334 12.617  1.00 41.63 187 A  1 
ATOM   1461 C CZ    . ARG    A  1  187 ? 3.642   -33.731 12.591  1.00 38.77 187 A  1 
ATOM   1462 N NH1   . ARG    A  1  187 ? 2.820   -33.428 13.587  1.00 37.09 187 A  1 
ATOM   1463 N NH2   . ARG    A  1  187 ? 3.191   -34.426 11.562  1.00 35.19 187 A  1 
ATOM   1464 N N     . ARG    A  1  188 ? 8.114   -28.390 11.214  1.00 51.79 188 A  1 
ATOM   1465 C CA    . ARG    A  1  188 ? 8.658   -27.718 10.040  1.00 53.50 188 A  1 
ATOM   1466 C C     . ARG    A  1  188 ? 9.531   -26.565 10.507  1.00 52.08 188 A  1 
ATOM   1467 O O     . ARG    A  1  188 ? 9.096   -25.746 11.316  1.00 49.03 188 A  1 
ATOM   1468 C CB    . ARG    A  1  188 ? 7.523   -27.191 9.175   1.00 50.77 188 A  1 
ATOM   1469 C CG    . ARG    A  1  188 ? 7.976   -26.577 7.855   1.00 47.13 188 A  1 
ATOM   1470 C CD    . ARG    A  1  188 ? 8.435   -27.637 6.895   1.00 44.12 188 A  1 
ATOM   1471 N NE    . ARG    A  1  188 ? 8.814   -27.081 5.603   1.00 40.74 188 A  1 
ATOM   1472 C CZ    . ARG    A  1  188 ? 9.167   -27.789 4.536   1.00 37.82 188 A  1 
ATOM   1473 N NH1   . ARG    A  1  188 ? 9.197   -29.107 4.603   1.00 35.96 188 A  1 
ATOM   1474 N NH2   . ARG    A  1  188 ? 9.498   -27.183 3.416   1.00 34.27 188 A  1 
ATOM   1475 N N     . LYS    A  1  189 ? 10.733  -26.532 9.987   1.00 52.98 189 A  1 
ATOM   1476 C CA    . LYS    A  1  189 ? 11.669  -25.488 10.379  1.00 53.88 189 A  1 
ATOM   1477 C C     . LYS    A  1  189 ? 11.789  -24.420 9.296   1.00 52.64 189 A  1 
ATOM   1478 O O     . LYS    A  1  189 ? 12.762  -24.402 8.540   1.00 49.27 189 A  1 
ATOM   1479 C CB    . LYS    A  1  189 ? 13.031  -26.103 10.680  1.00 51.17 189 A  1 
ATOM   1480 C CG    . LYS    A  1  189 ? 14.049  -25.144 11.257  1.00 47.81 189 A  1 
ATOM   1481 C CD    . LYS    A  1  189 ? 15.346  -25.859 11.569  1.00 45.07 189 A  1 
ATOM   1482 C CE    . LYS    A  1  189 ? 16.383  -24.915 12.151  1.00 40.85 189 A  1 
ATOM   1483 N NZ    . LYS    A  1  189 ? 17.653  -25.619 12.476  1.00 39.50 189 A  1 
ATOM   1484 N N     . ASN    A  1  190 ? 10.817  -23.565 9.239   1.00 59.42 190 A  1 
ATOM   1485 C CA    . ASN    A  1  190 ? 10.820  -22.470 8.268   1.00 60.83 190 A  1 
ATOM   1486 C C     . ASN    A  1  190 ? 10.735  -21.128 8.986   1.00 60.71 190 A  1 
ATOM   1487 O O     . ASN    A  1  190 ? 9.766   -20.390 8.829   1.00 55.62 190 A  1 
ATOM   1488 C CB    . ASN    A  1  190 ? 9.650   -22.606 7.295   1.00 56.55 190 A  1 
ATOM   1489 C CG    . ASN    A  1  190 ? 9.841   -23.735 6.308   1.00 51.71 190 A  1 
ATOM   1490 O OD1   . ASN    A  1  190 ? 10.956  -24.198 6.081   1.00 47.73 190 A  1 
ATOM   1491 N ND2   . ASN    A  1  190 ? 8.747   -24.177 5.708   1.00 48.04 190 A  1 
ATOM   1492 N N     . HIS    A  1  191 ? 11.744  -20.848 9.774   1.00 58.72 191 A  1 
ATOM   1493 C CA    . HIS    A  1  191 ? 11.776  -19.613 10.547  1.00 58.43 191 A  1 
ATOM   1494 C C     . HIS    A  1  191 ? 12.632  -18.533 9.898   1.00 55.83 191 A  1 
ATOM   1495 O O     . HIS    A  1  191 ? 12.643  -17.398 10.364  1.00 53.16 191 A  1 
ATOM   1496 C CB    . HIS    A  1  191 ? 12.328  -19.891 11.941  1.00 56.17 191 A  1 
ATOM   1497 C CG    . HIS    A  1  191 ? 11.556  -20.917 12.699  1.00 53.14 191 A  1 
ATOM   1498 N ND1   . HIS    A  1  191 ? 10.413  -20.625 13.391  1.00 48.30 191 A  1 
ATOM   1499 C CD2   . HIS    A  1  191 ? 11.776  -22.234 12.858  1.00 48.09 191 A  1 
ATOM   1500 C CE1   . HIS    A  1  191 ? 9.950   -21.742 13.949  1.00 46.76 191 A  1 
ATOM   1501 N NE2   . HIS    A  1  191 ? 10.756  -22.731 13.643  1.00 46.12 191 A  1 
ATOM   1502 N N     . ARG    A  1  192 ? 13.347  -18.909 8.866   1.00 54.82 192 A  1 
ATOM   1503 C CA    . ARG    A  1  192 ? 14.266  -17.964 8.244   1.00 56.75 192 A  1 
ATOM   1504 C C     . ARG    A  1  192 ? 13.544  -16.871 7.473   1.00 55.36 192 A  1 
ATOM   1505 O O     . ARG    A  1  192 ? 12.591  -17.136 6.744   1.00 51.72 192 A  1 
ATOM   1506 C CB    . ARG    A  1  192 ? 15.224  -18.698 7.325   1.00 53.69 192 A  1 
ATOM   1507 C CG    . ARG    A  1  192 ? 16.042  -19.770 8.037   1.00 49.65 192 A  1 
ATOM   1508 C CD    . ARG    A  1  192 ? 16.924  -19.170 9.098   1.00 46.80 192 A  1 
ATOM   1509 N NE    . ARG    A  1  192 ? 17.693  -20.180 9.817   1.00 42.69 192 A  1 
ATOM   1510 C CZ    . ARG    A  1  192 ? 17.267  -20.844 10.888  1.00 39.87 192 A  1 
ATOM   1511 N NH1   . ARG    A  1  192 ? 16.069  -20.607 11.384  1.00 37.88 192 A  1 
ATOM   1512 N NH2   . ARG    A  1  192 ? 18.047  -21.744 11.454  1.00 36.30 192 A  1 
ATOM   1513 N N     . ARG    A  1  193 ? 14.034  -15.689 7.648   1.00 54.62 193 A  1 
ATOM   1514 C CA    . ARG    A  1  193 ? 13.453  -14.540 6.980   1.00 57.34 193 A  1 
ATOM   1515 C C     . ARG    A  1  193 ? 14.548  -13.835 6.192   1.00 56.92 193 A  1 
ATOM   1516 O O     . ARG    A  1  193 ? 15.672  -13.702 6.670   1.00 52.89 193 A  1 
ATOM   1517 C CB    . ARG    A  1  193 ? 12.851  -13.577 8.001   1.00 54.32 193 A  1 
ATOM   1518 C CG    . ARG    A  1  193 ? 12.040  -12.462 7.389   1.00 50.47 193 A  1 
ATOM   1519 C CD    . ARG    A  1  193 ? 11.698  -11.400 8.405   1.00 48.00 193 A  1 
ATOM   1520 N NE    . ARG    A  1  193 ? 10.890  -11.926 9.503   1.00 43.41 193 A  1 
ATOM   1521 C CZ    . ARG    A  1  193 ? 9.569   -11.969 9.525   1.00 39.78 193 A  1 
ATOM   1522 N NH1   . ARG    A  1  193 ? 8.872   -11.497 8.502   1.00 36.85 193 A  1 
ATOM   1523 N NH2   . ARG    A  1  193 ? 8.941   -12.472 10.576  1.00 35.52 193 A  1 
ATOM   1524 N N     . SER    A  1  194 ? 14.196  -13.422 5.022   1.00 59.57 194 A  1 
ATOM   1525 C CA    . SER    A  1  194 ? 15.149  -12.714 4.182   1.00 63.08 194 A  1 
ATOM   1526 C C     . SER    A  1  194 ? 15.306  -11.277 4.648   1.00 63.62 194 A  1 
ATOM   1527 O O     . SER    A  1  194 ? 14.432  -10.734 5.317   1.00 57.50 194 A  1 
ATOM   1528 C CB    . SER    A  1  194 ? 14.680  -12.738 2.735   1.00 58.91 194 A  1 
ATOM   1529 O OG    . SER    A  1  194 ? 15.598  -12.082 1.901   1.00 52.29 194 A  1 
ATOM   1530 N N     . GLY    A  1  195 ? 16.403  -10.688 4.292   1.00 62.74 195 A  1 
ATOM   1531 C CA    . GLY    A  1  195 ? 16.625  -9.305  4.647   1.00 65.93 195 A  1 
ATOM   1532 C C     . GLY    A  1  195 ? 17.013  -9.101  6.087   1.00 66.76 195 A  1 
ATOM   1533 O O     . GLY    A  1  195 ? 17.791  -9.853  6.640   1.00 60.64 195 A  1 
ATOM   1534 N N     . CYS    A  1  196 ? 16.473  -7.995  6.644   1.00 63.61 196 A  1 
ATOM   1535 C CA    . CYS    A  1  196 ? 16.813  -7.559  7.866   1.00 68.38 196 A  1 
ATOM   1536 C C     . CYS    A  1  196 ? 15.999  -7.936  8.960   1.00 65.43 196 A  1 
ATOM   1537 O O     . CYS    A  1  196 ? 15.590  -8.662  9.318   1.00 59.85 196 A  1 
ATOM   1538 C CB    . CYS    A  1  196 ? 16.789  -6.219  8.065   1.00 64.22 196 A  1 
ATOM   1539 S SG    . CYS    A  1  196 ? 15.681  -5.909  8.429   1.00 61.99 196 A  1 
ATOM   1540 O OXT   . CYS    A  1  196 ? 15.883  -7.688  9.589   1.00 59.82 196 A  1 
HETATM 1541 P PG    . GTP    B  2  .   ? -12.639 -12.600 9.436   1.00 70.92 1   B  1 
HETATM 1542 O O1G   . GTP    B  2  .   ? -13.384 -11.776 8.548   1.00 63.24 1   B  1 
HETATM 1543 O O2G   . GTP    B  2  .   ? -11.848 -13.615 8.818   1.00 64.23 1   B  1 
HETATM 1544 O O3G   . GTP    B  2  .   ? -11.945 -11.845 10.477  1.00 63.48 1   B  1 
HETATM 1545 O O3B   . GTP    B  2  .   ? -13.776 -13.359 10.217  1.00 71.53 1   B  1 
HETATM 1546 P PB    . GTP    B  2  .   ? -13.720 -14.435 11.357  1.00 67.74 1   B  1 
HETATM 1547 O O1B   . GTP    B  2  .   ? -13.523 -15.722 10.784  1.00 63.62 1   B  1 
HETATM 1548 O O2B   . GTP    B  2  .   ? -12.850 -14.024 12.418  1.00 64.52 1   B  1 
HETATM 1549 O O3A   . GTP    B  2  .   ? -15.193 -14.382 11.872  1.00 69.44 1   B  1 
HETATM 1550 P PA    . GTP    B  2  .   ? -15.764 -13.654 13.145  1.00 67.77 1   B  1 
HETATM 1551 O O1A   . GTP    B  2  .   ? -15.555 -12.249 13.014  1.00 62.93 1   B  1 
HETATM 1552 O O2A   . GTP    B  2  .   ? -15.269 -14.321 14.317  1.00 58.34 1   B  1 
HETATM 1553 O "O5'" . GTP    B  2  .   ? -17.282 -13.963 13.034  1.00 70.95 1   B  1 
HETATM 1554 C "C5'" . GTP    B  2  .   ? -18.016 -13.657 11.894  1.00 75.05 1   B  1 
HETATM 1555 C "C4'" . GTP    B  2  .   ? -19.481 -13.632 12.187  1.00 72.31 1   B  1 
HETATM 1556 O "O4'" . GTP    B  2  .   ? -19.888 -14.925 12.572  1.00 74.90 1   B  1 
HETATM 1557 C "C3'" . GTP    B  2  .   ? -19.842 -12.713 13.307  1.00 75.28 1   B  1 
HETATM 1558 O "O3'" . GTP    B  2  .   ? -20.996 -12.030 12.949  1.00 73.02 1   B  1 
HETATM 1559 C "C2'" . GTP    B  2  .   ? -20.107 -13.612 14.464  1.00 75.21 1   B  1 
HETATM 1560 O "O2'" . GTP    B  2  .   ? -21.051 -13.116 15.320  1.00 73.95 1   B  1 
HETATM 1561 C "C1'" . GTP    B  2  .   ? -20.575 -14.877 13.804  1.00 73.43 1   B  1 
HETATM 1562 N N9    . GTP    B  2  .   ? -20.185 -16.025 14.575  1.00 76.76 1   B  1 
HETATM 1563 C C8    . GTP    B  2  .   ? -18.931 -16.392 14.907  1.00 75.15 1   B  1 
HETATM 1564 N N7    . GTP    B  2  .   ? -18.912 -17.494 15.620  1.00 78.75 1   B  1 
HETATM 1565 C C5    . GTP    B  2  .   ? -20.208 -17.834 15.747  1.00 79.77 1   B  1 
HETATM 1566 C C6    . GTP    B  2  .   ? -20.861 -18.913 16.394  1.00 80.81 1   B  1 
HETATM 1567 O O6    . GTP    B  2  .   ? -20.288 -19.778 16.983  1.00 79.00 1   B  1 
HETATM 1568 N N1    . GTP    B  2  .   ? -22.212 -18.947 16.316  1.00 79.72 1   B  1 
HETATM 1569 C C2    . GTP    B  2  .   ? -22.905 -17.992 15.655  1.00 79.89 1   B  1 
HETATM 1570 N N2    . GTP    B  2  .   ? -24.195 -18.111 15.642  1.00 76.48 1   B  1 
HETATM 1571 N N3    . GTP    B  2  .   ? -22.344 -16.976 15.032  1.00 77.12 1   B  1 
HETATM 1572 C C4    . GTP    B  2  .   ? -21.001 -16.897 15.078  1.00 78.41 1   B  1 
HETATM 1573 C C1    . GER    C  3  .   ? 14.339  -5.123  9.282   1.00 29.42 1   C  1 
HETATM 1574 C C2    . GER    C  3  .   ? 13.302  -4.614  8.914   1.00 25.63 1   C  1 
HETATM 1575 C C3    . GER    C  3  .   ? 12.626  -3.943  8.218   1.00 19.28 1   C  1 
HETATM 1576 C C4    . GER    C  3  .   ? 13.265  -3.061  7.320   1.00 12.81 1   C  1 
HETATM 1577 C C5    . GER    C  3  .   ? 11.327  -3.959  8.171   1.00 16.68 1   C  1 
HETATM 1578 C C6    . GER    C  3  .   ? 10.472  -4.584  7.995   1.00 19.22 1   C  1 
HETATM 1579 C C7    . GER    C  3  .   ? 9.269   -4.554  7.858   1.00 19.46 1   C  1 
HETATM 1580 C C8    . GER    C  3  .   ? 8.367   -5.250  7.822   1.00 20.51 1   C  1 
HETATM 1581 C C9    . GER    C  3  .   ? 8.563   -6.672  8.092   1.00 19.89 1   C  1 
HETATM 1582 C C10   . GER    C  3  .   ? 7.195   -4.845  7.546   1.00 20.20 1   C  1 
HETATM 1583 C C11   . GER    C  3  .   ? 6.400   -4.896  6.740   1.00 19.99 1   C  1 
HETATM 1584 C C12   . GER    C  3  .   ? 5.267   -4.636  6.530   1.00 17.17 1   C  1 
HETATM 1585 C C13   . GER    C  3  .   ? 4.470   -4.855  5.762   1.00 14.76 1   C  1 
HETATM 1586 C C14   . GER    C  3  .   ? 4.829   -5.683  4.597   1.00 14.40 1   C  1 
HETATM 1587 C C15   . GER    C  3  .   ? 3.252   -4.467  5.806   1.00 15.29 1   C  1 
HETATM 1588 C C16   . GER    C  3  .   ? 2.454   -4.090  5.007   1.00 16.43 1   C  1 
HETATM 1589 C C17   . GER    C  3  .   ? 1.214   -3.947  5.045   1.00 13.27 1   C  1 
HETATM 1590 C C18   . GER    C  3  .   ? 0.403   -3.325  4.523   1.00 8.56  1   C  1 
HETATM 1591 C C19   . GER    C  3  .   ? 0.769   -2.324  3.549   1.00 10.79 1   C  1 
HETATM 1592 C C20   . GER    C  3  .   ? -0.978  -3.406  4.750   1.00 14.54 1   C  1 
HETATM 1593 C C1    . LIG_D  D  4  .   ? 7.869   13.554  1.864   1.00 1.77  1   D  1 
HETATM 1594 C C2    . LIG_D  D  4  .   ? 7.851   12.661  1.554   1.00 1.87  1   D  1 
HETATM 1595 C C3    . LIG_D  D  4  .   ? 7.192   11.825  1.408   1.00 1.76  1   D  1 
HETATM 1596 C C4    . LIG_D  D  4  .   ? 6.443   11.090  1.378   1.00 2.04  1   D  1 
HETATM 1597 C C5    . LIG_D  D  4  .   ? 5.593   10.411  1.400   1.00 1.84  1   D  1 
HETATM 1598 C C6    . LIG_D  D  4  .   ? 4.680   9.837   1.504   1.00 1.73  1   D  1 
HETATM 1599 C C7    . LIG_D  D  4  .   ? 3.720   9.350   1.667   1.00 1.61  1   D  1 
HETATM 1600 C C8    . LIG_D  D  4  .   ? 2.730   8.968   1.857   1.00 1.72  1   D  1 
HETATM 1601 C C9    . LIG_D  D  4  .   ? 1.717   8.649   2.042   1.00 1.81  1   D  1 
HETATM 1602 C C10   . LIG_D  D  4  .   ? 0.648   8.393   2.217   1.00 1.91  1   D  1 
HETATM 1603 C C11   . LIG_D  D  4  .   ? -0.413  8.206   2.403   1.00 1.80  1   D  1 
HETATM 1604 C C12   . LIG_D  D  4  .   ? -1.496  8.068   2.572   1.00 1.86  1   D  1 
HETATM 1605 C C13   . LIG_D  D  4  .   ? -2.557  7.966   2.802   1.00 1.48  1   D  1 
HETATM 1606 C C14   . LIG_D  D  4  .   ? -3.645  7.865   2.995   1.00 1.49  1   D  1 
HETATM 1607 C C15   . LIG_D  D  4  .   ? -4.687  7.814   3.292   1.00 1.48  1   D  1 
HETATM 1608 C C16   . LIG_D  D  4  .   ? -5.792  7.690   3.447   1.00 1.50  1   D  1 
HETATM 1609 C C17   . LIG_D  D  4  .   ? -6.803  7.632   3.812   1.00 1.32  1   D  1 
HETATM 1610 C C18   . LIG_D  D  4  .   ? -8.033  7.353   3.568   1.00 1.41  1   D  1 
HETATM 1611 O O1    . LIG_D  D  4  .   ? -8.459  6.295   3.808   1.00 2.02  1   D  1 
HETATM 1612 O O2    . LIG_D  D  4  .   ? -8.661  8.248   3.031   1.00 1.66  1   D  1 
HETATM 1613 C C19   . LIG_D  D  4  .   ? -9.857  7.950   2.629   1.00 1.29  1   D  1 
HETATM 1614 C C20   . LIG_D  D  4  .   ? -10.350 8.839   1.615   1.00 1.30  1   D  1 
HETATM 1615 C C21   . LIG_D  D  4  .   ? -11.418 8.149   0.881   1.00 1.37  1   D  1 
HETATM 1616 O O3    . LIG_D  D  4  .   ? -12.564 8.227   1.498   1.00 1.34  1   D  1 
HETATM 1617 P P1    . LIG_D  D  4  .   ? -13.777 7.544   0.865   1.00 1.33  1   D  1 
HETATM 1618 O O4    . LIG_D  D  4  .   ? -13.832 6.212   1.340   1.00 1.27  1   D  1 
HETATM 1619 O O5    . LIG_D  D  4  .   ? -14.860 8.416   0.985   1.00 1.23  1   D  1 
HETATM 1620 O O6    . LIG_D  D  4  .   ? -13.293 7.508   -0.607  1.00 1.38  1   D  1 
HETATM 1621 C C22   . LIG_D  D  4  .   ? -13.889 7.016   -1.599  1.00 1.37  1   D  1 
HETATM 1622 C C23   . LIG_D  D  4  .   ? -13.005 6.884   -2.657  1.00 1.33  1   D  1 
HETATM 1623 N N1    . LIG_D  D  4  .   ? -13.195 7.641   -3.788  1.00 1.88  1   D  1 
HETATM 1624 C C24   . LIG_D  D  4  .   ? -13.836 8.864   -3.501  1.00 1.32  1   D  1 
HETATM 1625 C C25   . LIG_D  D  4  .   ? -11.941 7.851   -4.332  1.00 1.37  1   D  1 
HETATM 1626 C C26   . LIG_D  D  4  .   ? -13.991 6.917   -4.675  1.00 1.34  1   D  1 
HETATM 1627 O O7    . LIG_D  D  4  .   ? -9.388  9.084   0.670   1.00 1.50  1   D  1 
HETATM 1628 C C27   . LIG_D  D  4  .   ? -9.270  10.288  0.334   1.00 1.49  1   D  1 
HETATM 1629 O O8    . LIG_D  D  4  .   ? -9.965  11.146  0.758   1.00 1.51  1   D  1 
HETATM 1630 C C28   . LIG_D  D  4  .   ? -8.293  10.497  -0.467  1.00 1.36  1   D  1 
HETATM 1631 C C29   . LIG_D  D  4  .   ? -7.419  11.149  -0.605  1.00 1.48  1   D  1 
HETATM 1632 C C30   . LIG_D  D  4  .   ? -6.435  11.559  -0.872  1.00 1.48  1   D  1 
HETATM 1633 C C31   . LIG_D  D  4  .   ? -5.423  12.004  -0.901  1.00 1.43  1   D  1 
HETATM 1634 C C32   . LIG_D  D  4  .   ? -4.403  12.363  -0.846  1.00 1.59  1   D  1 
HETATM 1635 C C33   . LIG_D  D  4  .   ? -3.379  12.743  -0.676  1.00 1.51  1   D  1 
HETATM 1636 C C34   . LIG_D  D  4  .   ? -2.350  13.088  -0.459  1.00 1.54  1   D  1 
HETATM 1637 C C35   . LIG_D  D  4  .   ? -1.322  13.412  -0.198  1.00 1.49  1   D  1 
HETATM 1638 C C36   . LIG_D  D  4  .   ? -0.278  13.728  0.084   1.00 1.63  1   D  1 
HETATM 1639 C C37   . LIG_D  D  4  .   ? 0.774   14.023  0.390   1.00 1.63  1   D  1 
HETATM 1640 C C38   . LIG_D  D  4  .   ? 1.842   14.290  0.690   1.00 1.49  1   D  1 
HETATM 1641 C C39   . LIG_D  D  4  .   ? 2.923   14.524  0.986   1.00 1.53  1   D  1 
HETATM 1642 C C40   . LIG_D  D  4  .   ? 3.998   14.718  1.269   1.00 1.74  1   D  1 
HETATM 1643 C C41   . LIG_D  D  4  .   ? 5.082   14.864  1.558   1.00 1.45  1   D  1 
HETATM 1644 C C42   . LIG_D  D  4  .   ? 6.127   14.994  1.840   1.00 1.45  1   D  1 
HETATM 1645 C C43   . LIG_D  D  4  .   ? 7.156   15.178  2.191   1.00 1.29  1   D  1 
HETATM 1646 C C44   . LIG_D  D  4  .   ? 8.256   15.490  2.610   1.00 1.33  1   D  1 
HETATM 1647 C C1    . LIG_E  E  5  .   ? 6.732   12.345  8.699   1.00 1.80  1   E  1 
HETATM 1648 C C2    . LIG_E  E  5  .   ? 7.142   11.734  7.806   1.00 1.87  1   E  1 
HETATM 1649 C C3    . LIG_E  E  5  .   ? 6.647   11.367  6.838   1.00 1.75  1   E  1 
HETATM 1650 C C4    . LIG_E  E  5  .   ? 5.775   11.357  6.116   1.00 2.02  1   E  1 
HETATM 1651 C C5    . LIG_E  E  5  .   ? 4.856   11.445  5.459   1.00 1.82  1   E  1 
HETATM 1652 C C6    . LIG_E  E  5  .   ? 3.848   11.641  4.960   1.00 1.69  1   E  1 
HETATM 1653 C C7    . LIG_E  E  5  .   ? 2.817   11.881  4.574   1.00 1.59  1   E  1 
HETATM 1654 C C8    . LIG_E  E  5  .   ? 1.765   12.148  4.309   1.00 1.61  1   E  1 
HETATM 1655 C C9    . LIG_E  E  5  .   ? 0.698   12.397  4.139   1.00 1.69  1   E  1 
HETATM 1656 C C10   . LIG_E  E  5  .   ? -0.416  12.624  4.026   1.00 1.76  1   E  1 
HETATM 1657 C C11   . LIG_E  E  5  .   ? -1.515  12.804  3.989   1.00 1.65  1   E  1 
HETATM 1658 C C12   . LIG_E  E  5  .   ? -2.635  12.950  3.999   1.00 1.69  1   E  1 
HETATM 1659 C C13   . LIG_E  E  5  .   ? -3.746  13.044  4.107   1.00 1.37  1   E  1 
HETATM 1660 C C14   . LIG_E  E  5  .   ? -4.877  13.079  4.236   1.00 1.38  1   E  1 
HETATM 1661 C C15   . LIG_E  E  5  .   ? -5.958  13.101  4.494   1.00 1.35  1   E  1 
HETATM 1662 C C16   . LIG_E  E  5  .   ? -7.099  13.026  4.697   1.00 1.35  1   E  1 
HETATM 1663 C C17   . LIG_E  E  5  .   ? -8.107  13.090  5.110   1.00 1.24  1   E  1 
HETATM 1664 C C18   . LIG_E  E  5  .   ? -9.377  12.863  5.058   1.00 1.29  1   E  1 
HETATM 1665 O O1    . LIG_E  E  5  .   ? -9.797  12.128  4.246   1.00 1.77  1   E  1 
HETATM 1666 O O2    . LIG_E  E  5  .   ? -10.081 13.427  5.859   1.00 1.57  1   E  1 
HETATM 1667 C C19   . LIG_E  E  5  .   ? -11.366 13.284  5.697   1.00 1.23  1   E  1 
HETATM 1668 C C20   . LIG_E  E  5  .   ? -12.133 13.753  6.824   1.00 1.26  1   E  1 
HETATM 1669 C C21   . LIG_E  E  5  .   ? -13.497 14.180  6.351   1.00 1.29  1   E  1 
HETATM 1670 O O3    . LIG_E  E  5  .   ? -14.015 15.087  7.178   1.00 1.29  1   E  1 
HETATM 1671 P P1    . LIG_E  E  5  .   ? -15.465 15.605  7.001   1.00 1.23  1   E  1 
HETATM 1672 O O4    . LIG_E  E  5  .   ? -15.533 16.868  7.619   1.00 1.18  1   E  1 
HETATM 1673 O O5    . LIG_E  E  5  .   ? -15.890 15.448  5.682   1.00 1.16  1   E  1 
HETATM 1674 O O6    . LIG_E  E  5  .   ? -16.268 14.557  7.823   1.00 1.28  1   E  1 
HETATM 1675 C C22   . LIG_E  E  5  .   ? -16.094 14.269  8.999   1.00 1.31  1   E  1 
HETATM 1676 C C23   . LIG_E  E  5  .   ? -17.162 13.632  9.621   1.00 1.26  1   E  1 
HETATM 1677 N N1    . LIG_E  E  5  .   ? -16.877 12.542  10.413  1.00 1.87  1   E  1 
HETATM 1678 C C24   . LIG_E  E  5  .   ? -15.975 11.703  9.750   1.00 1.27  1   E  1 
HETATM 1679 C C25   . LIG_E  E  5  .   ? -16.312 12.956  11.620  1.00 1.30  1   E  1 
HETATM 1680 C C26   . LIG_E  E  5  .   ? -18.083 11.858  10.643  1.00 1.31  1   E  1 
HETATM 1681 O O7    . LIG_E  E  5  .   ? -11.493 14.839  7.373   1.00 1.43  1   E  1 
HETATM 1682 C C27   . LIG_E  E  5  .   ? -11.191 14.726  8.598   1.00 1.42  1   E  1 
HETATM 1683 O O8    . LIG_E  E  5  .   ? -11.708 13.916  9.295   1.00 1.43  1   E  1 
HETATM 1684 C C28   . LIG_E  E  5  .   ? -10.263 15.483  9.024   1.00 1.34  1   E  1 
HETATM 1685 C C29   . LIG_E  E  5  .   ? -9.184  15.393  9.310   1.00 1.43  1   E  1 
HETATM 1686 C C30   . LIG_E  E  5  .   ? -8.134  15.486  9.585   1.00 1.44  1   E  1 
HETATM 1687 C C31   . LIG_E  E  5  .   ? -7.049  15.489  9.837   1.00 1.39  1   E  1 
HETATM 1688 C C32   . LIG_E  E  5  .   ? -5.986  15.527  10.102  1.00 1.53  1   E  1 
HETATM 1689 C C33   . LIG_E  E  5  .   ? -4.911  15.511  10.377  1.00 1.47  1   E  1 
HETATM 1690 C C34   . LIG_E  E  5  .   ? -3.834  15.485  10.667  1.00 1.48  1   E  1 
HETATM 1691 C C35   . LIG_E  E  5  .   ? -2.771  15.428  10.955  1.00 1.48  1   E  1 
HETATM 1692 C C36   . LIG_E  E  5  .   ? -1.691  15.342  11.222  1.00 1.57  1   E  1 
HETATM 1693 C C37   . LIG_E  E  5  .   ? -0.602  15.207  11.447  1.00 1.59  1   E  1 
HETATM 1694 C C38   . LIG_E  E  5  .   ? 0.518   15.002  11.573  1.00 1.47  1   E  1 
HETATM 1695 C C39   . LIG_E  E  5  .   ? 1.641   14.760  11.585  1.00 1.52  1   E  1 
HETATM 1696 C C40   . LIG_E  E  5  .   ? 2.750   14.483  11.452  1.00 1.75  1   E  1 
HETATM 1697 C C41   . LIG_E  E  5  .   ? 3.832   14.183  11.239  1.00 1.49  1   E  1 
HETATM 1698 C C42   . LIG_E  E  5  .   ? 4.873   13.891  11.011  1.00 1.50  1   E  1 
HETATM 1699 C C43   . LIG_E  E  5  .   ? 5.900   13.628  10.811  1.00 1.34  1   E  1 
HETATM 1700 C C44   . LIG_E  E  5  .   ? 7.103   13.431  10.707  1.00 1.37  1   E  1 
HETATM 1701 C C1    . LIG_F  F  6  .   ? -1.783  -2.878  0.873   1.00 4.05  1   F  1 
HETATM 1702 C C2    . LIG_F  F  6  .   ? -2.188  -4.018  1.084   1.00 4.36  1   F  1 
HETATM 1703 C C3    . LIG_F  F  6  .   ? -2.983  -4.531  1.712   1.00 3.90  1   F  1 
HETATM 1704 C C4    . LIG_F  F  6  .   ? -3.834  -4.464  2.479   1.00 4.96  1   F  1 
HETATM 1705 C C5    . LIG_F  F  6  .   ? -4.608  -4.157  3.232   1.00 4.24  1   F  1 
HETATM 1706 C C6    . LIG_F  F  6  .   ? -5.247  -3.669  3.999   1.00 3.46  1   F  1 
HETATM 1707 C C7    . LIG_F  F  6  .   ? -5.706  -3.020  4.766   1.00 2.90  1   F  1 
HETATM 1708 C C8    . LIG_F  F  6  .   ? -6.038  -2.293  5.511   1.00 2.88  1   F  1 
HETATM 1709 C C9    . LIG_F  F  6  .   ? -6.282  -1.520  6.233   1.00 3.05  1   F  1 
HETATM 1710 C C10   . LIG_F  F  6  .   ? -6.526  -0.712  6.984   1.00 3.18  1   F  1 
HETATM 1711 C C11   . LIG_F  F  6  .   ? -6.751  0.049   7.738   1.00 2.84  1   F  1 
HETATM 1712 C C12   . LIG_F  F  6  .   ? -6.998  0.745   8.556   1.00 2.85  1   F  1 
HETATM 1713 C C13   . LIG_F  F  6  .   ? -7.231  1.341   9.428   1.00 1.99  1   F  1 
HETATM 1714 C C14   . LIG_F  F  6  .   ? -7.442  1.862   10.397  1.00 1.98  1   F  1 
HETATM 1715 C C15   . LIG_F  F  6  .   ? -7.595  2.279   11.365  1.00 1.78  1   F  1 
HETATM 1716 C C16   . LIG_F  F  6  .   ? -7.752  2.654   12.443  1.00 1.78  1   F  1 
HETATM 1717 C C17   . LIG_F  F  6  .   ? -7.805  2.910   13.426  1.00 1.47  1   F  1 
HETATM 1718 C C18   . LIG_F  F  6  .   ? -8.017  3.269   14.648  1.00 1.55  1   F  1 
HETATM 1719 O O1    . LIG_F  F  6  .   ? -9.084  3.309   15.118  1.00 2.30  1   F  1 
HETATM 1720 O O2    . LIG_F  F  6  .   ? -6.991  3.548   15.235  1.00 1.96  1   F  1 
HETATM 1721 C C19   . LIG_F  F  6  .   ? -7.088  3.962   16.486  1.00 1.42  1   F  1 
HETATM 1722 C C20   . LIG_F  F  6  .   ? -5.911  4.692   16.847  1.00 1.43  1   F  1 
HETATM 1723 C C21   . LIG_F  F  6  .   ? -6.082  5.501   18.073  1.00 1.47  1   F  1 
HETATM 1724 O O3    . LIG_F  F  6  .   ? -7.017  5.054   18.864  1.00 1.51  1   F  1 
HETATM 1725 P P1    . LIG_F  F  6  .   ? -7.425  5.947   20.058  1.00 1.49  1   F  1 
HETATM 1726 O O4    . LIG_F  F  6  .   ? -8.171  5.126   20.932  1.00 1.32  1   F  1 
HETATM 1727 O O5    . LIG_F  F  6  .   ? -6.337  6.641   20.551  1.00 1.34  1   F  1 
HETATM 1728 O O6    . LIG_F  F  6  .   ? -8.305  6.883   19.199  1.00 1.55  1   F  1 
HETATM 1729 C C22   . LIG_F  F  6  .   ? -9.090  7.728   19.511  1.00 1.48  1   F  1 
HETATM 1730 C C23   . LIG_F  F  6  .   ? -10.427 7.397   19.261  1.00 1.48  1   F  1 
HETATM 1731 N N1    . LIG_F  F  6  .   ? -11.240 8.374   18.754  1.00 2.41  1   F  1 
HETATM 1732 C C24   . LIG_F  F  6  .   ? -11.117 9.565   19.489  1.00 1.35  1   F  1 
HETATM 1733 C C25   . LIG_F  F  6  .   ? -12.567 7.896   18.831  1.00 1.50  1   F  1 
HETATM 1734 C C26   . LIG_F  F  6  .   ? -10.915 8.643   17.423  1.00 1.51  1   F  1 
HETATM 1735 O O7    . LIG_F  F  6  .   ? -5.674  5.621   15.861  1.00 1.60  1   F  1 
HETATM 1736 C C27   . LIG_F  F  6  .   ? -4.477  5.890   15.665  1.00 1.61  1   F  1 
HETATM 1737 O O8    . LIG_F  F  6  .   ? -3.630  5.677   16.452  1.00 1.59  1   F  1 
HETATM 1738 C C28   . LIG_F  F  6  .   ? -4.264  6.357   14.486  1.00 1.47  1   F  1 
HETATM 1739 C C29   . LIG_F  F  6  .   ? -3.713  6.254   13.560  1.00 1.57  1   F  1 
HETATM 1740 C C30   . LIG_F  F  6  .   ? -3.359  6.253   12.502  1.00 1.64  1   F  1 
HETATM 1741 C C31   . LIG_F  F  6  .   ? -2.970  6.107   11.485  1.00 1.57  1   F  1 
HETATM 1742 C C32   . LIG_F  F  6  .   ? -2.659  5.951   10.443  1.00 1.75  1   F  1 
HETATM 1743 C C33   . LIG_F  F  6  .   ? -2.349  5.707   9.413   1.00 1.72  1   F  1 
HETATM 1744 C C34   . LIG_F  F  6  .   ? -2.058  5.457   8.369   1.00 1.70  1   F  1 
HETATM 1745 C C35   . LIG_F  F  6  .   ? -1.756  5.211   7.344   1.00 1.67  1   F  1 
HETATM 1746 C C36   . LIG_F  F  6  .   ? -1.429  4.937   6.315   1.00 1.81  1   F  1 
HETATM 1747 C C37   . LIG_F  F  6  .   ? -1.096  4.594   5.318   1.00 1.94  1   F  1 
HETATM 1748 C C38   . LIG_F  F  6  .   ? -0.770  4.113   4.359   1.00 1.68  1   F  1 
HETATM 1749 C C39   . LIG_F  F  6  .   ? -0.494  3.505   3.455   1.00 1.81  1   F  1 
HETATM 1750 C C40   . LIG_F  F  6  .   ? -0.306  2.785   2.618   1.00 2.48  1   F  1 
HETATM 1751 C C41   . LIG_F  F  6  .   ? -0.209  1.952   1.841   1.00 2.48  1   F  1 
HETATM 1752 C C42   . LIG_F  F  6  .   ? -0.166  1.110   1.137   1.00 2.40  1   F  1 
HETATM 1753 C C43   . LIG_F  F  6  .   ? -0.494  0.169   0.708   1.00 2.10  1   F  1 
HETATM 1754 C C44   . LIG_F  F  6  .   ? -1.512  -0.506  0.961   1.00 2.08  1   F  1 
HETATM 1755 C C1    . LIG_G  G  7  .   ? 8.493   12.829  -3.291  1.00 1.75  1   G  1 
HETATM 1756 C C2    . LIG_G  G  7  .   ? 7.879   12.771  -2.684  1.00 1.81  1   G  1 
HETATM 1757 C C3    . LIG_G  G  7  .   ? 6.900   12.485  -2.344  1.00 1.72  1   G  1 
HETATM 1758 C C4    . LIG_G  G  7  .   ? 5.919   12.131  -2.137  1.00 2.01  1   G  1 
HETATM 1759 C C5    . LIG_G  G  7  .   ? 4.924   11.737  -2.025  1.00 1.87  1   G  1 
HETATM 1760 C C6    . LIG_G  G  7  .   ? 3.926   11.318  -1.974  1.00 1.71  1   G  1 
HETATM 1761 C C7    . LIG_G  G  7  .   ? 2.933   10.896  -1.952  1.00 1.64  1   G  1 
HETATM 1762 C C8    . LIG_G  G  7  .   ? 1.941   10.455  -1.963  1.00 1.69  1   G  1 
HETATM 1763 C C9    . LIG_G  G  7  .   ? 0.969   10.006  -1.976  1.00 1.81  1   G  1 
HETATM 1764 C C10   . LIG_G  G  7  .   ? -0.056  9.530   -1.962  1.00 1.96  1   G  1 
HETATM 1765 C C11   . LIG_G  G  7  .   ? -1.048  9.094   -1.874  1.00 1.81  1   G  1 
HETATM 1766 C C12   . LIG_G  G  7  .   ? -2.073  8.662   -1.791  1.00 1.86  1   G  1 
HETATM 1767 C C13   . LIG_G  G  7  .   ? -3.064  8.274   -1.568  1.00 1.48  1   G  1 
HETATM 1768 C C14   . LIG_G  G  7  .   ? -4.082  7.851   -1.442  1.00 1.51  1   G  1 
HETATM 1769 C C15   . LIG_G  G  7  .   ? -5.050  7.452   -1.134  1.00 1.51  1   G  1 
HETATM 1770 C C16   . LIG_G  G  7  .   ? -6.076  6.953   -1.111  1.00 1.55  1   G  1 
HETATM 1771 C C17   . LIG_G  G  7  .   ? -7.037  6.517   -0.799  1.00 1.35  1   G  1 
HETATM 1772 C C18   . LIG_G  G  7  .   ? -8.049  5.887   -1.288  1.00 1.45  1   G  1 
HETATM 1773 O O1    . LIG_G  G  7  .   ? -8.906  5.493   -0.596  1.00 1.98  1   G  1 
HETATM 1774 O O2    . LIG_G  G  7  .   ? -8.002  5.749   -2.511  1.00 1.77  1   G  1 
HETATM 1775 C C19   . LIG_G  G  7  .   ? -8.910  5.019   -3.093  1.00 1.37  1   G  1 
HETATM 1776 C C20   . LIG_G  G  7  .   ? -9.026  5.291   -4.518  1.00 1.41  1   G  1 
HETATM 1777 C C21   . LIG_G  G  7  .   ? -10.029 4.400   -5.111  1.00 1.46  1   G  1 
HETATM 1778 O O3    . LIG_G  G  7  .   ? -10.773 3.896   -4.138  1.00 1.46  1   G  1 
HETATM 1779 P P1    . LIG_G  G  7  .   ? -12.133 3.307   -4.421  1.00 1.46  1   G  1 
HETATM 1780 O O4    . LIG_G  G  7  .   ? -12.846 4.152   -5.313  1.00 1.29  1   G  1 
HETATM 1781 O O5    . LIG_G  G  7  .   ? -12.683 2.877   -3.208  1.00 1.41  1   G  1 
HETATM 1782 O O6    . LIG_G  G  7  .   ? -11.686 2.066   -5.211  1.00 1.50  1   G  1 
HETATM 1783 C C22   . LIG_G  G  7  .   ? -12.466 1.167   -5.445  1.00 1.55  1   G  1 
HETATM 1784 C C23   . LIG_G  G  7  .   ? -12.714 0.933   -6.770  1.00 1.44  1   G  1 
HETATM 1785 N N1    . LIG_G  G  7  .   ? -13.813 0.146   -7.016  1.00 2.02  1   G  1 
HETATM 1786 C C24   . LIG_G  G  7  .   ? -13.583 -1.156  -6.535  1.00 1.57  1   G  1 
HETATM 1787 C C25   . LIG_G  G  7  .   ? -14.016 0.125   -8.398  1.00 1.45  1   G  1 
HETATM 1788 C C26   . LIG_G  G  7  .   ? -14.949 0.666   -6.357  1.00 1.52  1   G  1 
HETATM 1789 O O7    . LIG_G  G  7  .   ? -7.824  5.025   -5.124  1.00 1.65  1   G  1 
HETATM 1790 C C27   . LIG_G  G  7  .   ? -7.267  6.036   -5.623  1.00 1.66  1   G  1 
HETATM 1791 O O8    . LIG_G  G  7  .   ? -7.785  7.111   -5.619  1.00 1.61  1   G  1 
HETATM 1792 C C28   . LIG_G  G  7  .   ? -6.077  5.844   -6.081  1.00 1.45  1   G  1 
HETATM 1793 C C29   . LIG_G  G  7  .   ? -5.092  6.379   -6.157  1.00 1.55  1   G  1 
HETATM 1794 C C30   . LIG_G  G  7  .   ? -4.027  6.659   -6.335  1.00 1.58  1   G  1 
HETATM 1795 C C31   . LIG_G  G  7  .   ? -2.996  7.094   -6.395  1.00 1.50  1   G  1 
HETATM 1796 C C32   . LIG_G  G  7  .   ? -1.962  7.479   -6.482  1.00 1.65  1   G  1 
HETATM 1797 C C33   . LIG_G  G  7  .   ? -0.940  7.942   -6.520  1.00 1.56  1   G  1 
HETATM 1798 C C34   . LIG_G  G  7  .   ? 0.080   8.402   -6.543  1.00 1.57  1   G  1 
HETATM 1799 C C35   . LIG_G  G  7  .   ? 1.092   8.874   -6.548  1.00 1.52  1   G  1 
HETATM 1800 C C36   . LIG_G  G  7  .   ? 2.112   9.362   -6.524  1.00 1.67  1   G  1 
HETATM 1801 C C37   . LIG_G  G  7  .   ? 3.136   9.830   -6.459  1.00 1.65  1   G  1 
HETATM 1802 C C38   . LIG_G  G  7  .   ? 4.175   10.289  -6.343  1.00 1.53  1   G  1 
HETATM 1803 C C39   . LIG_G  G  7  .   ? 5.196   10.755  -6.156  1.00 1.58  1   G  1 
HETATM 1804 C C40   . LIG_G  G  7  .   ? 6.185   11.228  -5.895  1.00 1.74  1   G  1 
HETATM 1805 C C41   . LIG_G  G  7  .   ? 7.124   11.714  -5.526  1.00 1.43  1   G  1 
HETATM 1806 C C42   . LIG_G  G  7  .   ? 7.999   12.185  -5.105  1.00 1.44  1   G  1 
HETATM 1807 C C43   . LIG_G  G  7  .   ? 8.858   12.655  -4.627  1.00 1.31  1   G  1 
HETATM 1808 C C44   . LIG_G  G  7  .   ? 9.836   13.156  -4.148  1.00 1.35  1   G  1 
HETATM 1809 C C1    . LIG_H  H  8  .   ? 10.375  19.869  -17.766 1.00 1.90  1   H  1 
HETATM 1810 C C2    . LIG_H  H  8  .   ? 10.779  19.864  -18.692 1.00 2.10  1   H  1 
HETATM 1811 C C3    . LIG_H  H  8  .   ? 10.674  20.665  -19.274 1.00 1.95  1   H  1 
HETATM 1812 C C4    . LIG_H  H  8  .   ? 10.247  21.595  -19.390 1.00 2.38  1   H  1 
HETATM 1813 C C5    . LIG_H  H  8  .   ? 9.772   22.515  -19.440 1.00 2.05  1   H  1 
HETATM 1814 C C6    . LIG_H  H  8  .   ? 9.229   23.406  -19.381 1.00 1.88  1   H  1 
HETATM 1815 C C7    . LIG_H  H  8  .   ? 8.668   24.256  -19.329 1.00 1.75  1   H  1 
HETATM 1816 C C8    . LIG_H  H  8  .   ? 8.088   25.106  -19.267 1.00 1.75  1   H  1 
HETATM 1817 C C9    . LIG_H  H  8  .   ? 7.541   25.956  -19.253 1.00 1.78  1   H  1 
HETATM 1818 C C10   . LIG_H  H  8  .   ? 6.982   26.865  -19.290 1.00 1.77  1   H  1 
HETATM 1819 C C11   . LIG_H  H  8  .   ? 6.511   27.791  -19.401 1.00 1.71  1   H  1 
HETATM 1820 C C12   . LIG_H  H  8  .   ? 6.094   28.763  -19.544 1.00 1.72  1   H  1 
HETATM 1821 C C13   . LIG_H  H  8  .   ? 5.858   29.732  -19.829 1.00 1.46  1   H  1 
HETATM 1822 C C14   . LIG_H  H  8  .   ? 5.724   30.745  -20.125 1.00 1.43  1   H  1 
HETATM 1823 C C15   . LIG_H  H  8  .   ? 5.745   31.685  -20.602 1.00 1.35  1   H  1 
HETATM 1824 C C16   . LIG_H  H  8  .   ? 5.832   32.690  -20.975 1.00 1.34  1   H  1 
HETATM 1825 C C17   . LIG_H  H  8  .   ? 6.049   33.600  -21.531 1.00 1.24  1   H  1 
HETATM 1826 C C18   . LIG_H  H  8  .   ? 6.464   34.757  -21.335 1.00 1.26  1   H  1 
HETATM 1827 O O1    . LIG_H  H  8  .   ? 7.378   35.168  -21.917 1.00 1.58  1   H  1 
HETATM 1828 O O2    . LIG_H  H  8  .   ? 5.889   35.305  -20.438 1.00 1.48  1   H  1 
HETATM 1829 C C19   . LIG_H  H  8  .   ? 6.360   36.425  -20.044 1.00 1.25  1   H  1 
HETATM 1830 C C20   . LIG_H  H  8  .   ? 5.517   37.052  -19.033 1.00 1.25  1   H  1 
HETATM 1831 C C21   . LIG_H  H  8  .   ? 5.881   38.466  -18.979 1.00 1.32  1   H  1 
HETATM 1832 O O3    . LIG_H  H  8  .   ? 5.971   38.826  -20.270 1.00 1.31  1   H  1 
HETATM 1833 P P1    . LIG_H  H  8  .   ? 6.222   40.251  -20.800 1.00 1.38  1   H  1 
HETATM 1834 O O4    . LIG_H  H  8  .   ? 6.115   40.164  -22.211 1.00 1.21  1   H  1 
HETATM 1835 O O5    . LIG_H  H  8  .   ? 7.333   40.810  -20.222 1.00 1.19  1   H  1 
HETATM 1836 O O6    . LIG_H  H  8  .   ? 4.980   40.927  -20.247 1.00 1.31  1   H  1 
HETATM 1837 C C22   . LIG_H  H  8  .   ? 3.976   41.191  -20.965 1.00 1.32  1   H  1 
HETATM 1838 C C23   . LIG_H  H  8  .   ? 2.881   41.627  -20.198 1.00 1.32  1   H  1 
HETATM 1839 N N1    . LIG_H  H  8  .   ? 1.659   41.306  -20.719 1.00 1.88  1   H  1 
HETATM 1840 C C24   . LIG_H  H  8  .   ? 1.423   42.076  -21.890 1.00 1.34  1   H  1 
HETATM 1841 C C25   . LIG_H  H  8  .   ? 0.713   41.580  -19.736 1.00 1.42  1   H  1 
HETATM 1842 C C26   . LIG_H  H  8  .   ? 1.616   39.933  -21.050 1.00 1.46  1   H  1 
HETATM 1843 O O7    . LIG_H  H  8  .   ? 5.754   36.404  -17.840 1.00 1.40  1   H  1 
HETATM 1844 C C27   . LIG_H  H  8  .   ? 4.814   35.668  -17.461 1.00 1.43  1   H  1 
HETATM 1845 O O8    . LIG_H  H  8  .   ? 3.718   35.701  -17.930 1.00 1.42  1   H  1 
HETATM 1846 C C28   . LIG_H  H  8  .   ? 5.115   34.798  -16.562 1.00 1.31  1   H  1 
HETATM 1847 C C29   . LIG_H  H  8  .   ? 4.840   33.787  -16.229 1.00 1.38  1   H  1 
HETATM 1848 C C30   . LIG_H  H  8  .   ? 4.943   32.803  -15.721 1.00 1.39  1   H  1 
HETATM 1849 C C31   . LIG_H  H  8  .   ? 5.005   31.804  -15.335 1.00 1.35  1   H  1 
HETATM 1850 C C32   . LIG_H  H  8  .   ? 5.226   30.795  -14.975 1.00 1.49  1   H  1 
HETATM 1851 C C33   . LIG_H  H  8  .   ? 5.505   29.781  -14.726 1.00 1.47  1   H  1 
HETATM 1852 C C34   . LIG_H  H  8  .   ? 5.897   28.764  -14.537 1.00 1.49  1   H  1 
HETATM 1853 C C35   . LIG_H  H  8  .   ? 6.336   27.771  -14.437 1.00 1.51  1   H  1 
HETATM 1854 C C36   . LIG_H  H  8  .   ? 6.813   26.768  -14.404 1.00 1.57  1   H  1 
HETATM 1855 C C37   . LIG_H  H  8  .   ? 7.284   25.756  -14.420 1.00 1.59  1   H  1 
HETATM 1856 C C38   . LIG_H  H  8  .   ? 7.766   24.723  -14.498 1.00 1.48  1   H  1 
HETATM 1857 C C39   . LIG_H  H  8  .   ? 8.250   23.705  -14.639 1.00 1.54  1   H  1 
HETATM 1858 C C40   . LIG_H  H  8  .   ? 8.705   22.697  -14.876 1.00 1.75  1   H  1 
HETATM 1859 C C41   . LIG_H  H  8  .   ? 9.123   21.706  -15.215 1.00 1.56  1   H  1 
HETATM 1860 C C42   . LIG_H  H  8  .   ? 9.511   20.774  -15.603 1.00 1.55  1   H  1 
HETATM 1861 C C43   . LIG_H  H  8  .   ? 9.874   19.861  -15.947 1.00 1.39  1   H  1 
HETATM 1862 C C44   . LIG_H  H  8  .   ? 10.268  18.785  -16.287 1.00 1.40  1   H  1 
HETATM 1863 C C1    . LIG_I  I  9  .   ? 15.901  16.575  -12.160 1.00 1.78  1   I  1 
HETATM 1864 C C2    . LIG_I  I  9  .   ? 16.819  16.976  -11.970 1.00 2.13  1   I  1 
HETATM 1865 C C3    . LIG_I  I  9  .   ? 17.873  17.271  -12.035 1.00 2.00  1   I  1 
HETATM 1866 C C4    . LIG_I  I  9  .   ? 18.941  17.538  -12.128 1.00 2.30  1   I  1 
HETATM 1867 C C5    . LIG_I  I  9  .   ? 20.034  17.768  -12.275 1.00 1.92  1   I  1 
HETATM 1868 C C6    . LIG_I  I  9  .   ? 21.121  17.946  -12.432 1.00 1.71  1   I  1 
HETATM 1869 C C7    . LIG_I  I  9  .   ? 22.192  18.078  -12.598 1.00 1.70  1   I  1 
HETATM 1870 C C8    . LIG_I  I  9  .   ? 23.252  18.180  -12.780 1.00 1.66  1   I  1 
HETATM 1871 C C9    . LIG_I  I  9  .   ? 24.296  18.235  -12.972 1.00 1.73  1   I  1 
HETATM 1872 C C10   . LIG_I  I  9  .   ? 25.379  18.256  -13.171 1.00 1.77  1   I  1 
HETATM 1873 C C11   . LIG_I  I  9  .   ? 26.434  18.211  -13.433 1.00 1.77  1   I  1 
HETATM 1874 C C12   . LIG_I  I  9  .   ? 27.468  18.124  -13.751 1.00 1.77  1   I  1 
HETATM 1875 C C13   . LIG_I  I  9  .   ? 28.430  17.958  -14.210 1.00 1.45  1   I  1 
HETATM 1876 C C14   . LIG_I  I  9  .   ? 29.348  17.791  -14.700 1.00 1.41  1   I  1 
HETATM 1877 C C15   . LIG_I  I  9  .   ? 29.921  17.493  -15.590 1.00 1.36  1   I  1 
HETATM 1878 C C16   . LIG_I  I  9  .   ? 29.920  17.290  -16.690 1.00 1.35  1   I  1 
HETATM 1879 C C17   . LIG_I  I  9  .   ? 30.132  16.925  -17.683 1.00 1.27  1   I  1 
HETATM 1880 C C18   . LIG_I  I  9  .   ? 29.635  16.943  -18.864 1.00 1.32  1   I  1 
HETATM 1881 O O1    . LIG_I  I  9  .   ? 30.035  16.229  -19.710 1.00 1.67  1   I  1 
HETATM 1882 O O2    . LIG_I  I  9  .   ? 28.680  17.727  -18.985 1.00 1.50  1   I  1 
HETATM 1883 C C19   . LIG_I  I  9  .   ? 28.382  18.167  -20.147 1.00 1.28  1   I  1 
HETATM 1884 C C20   . LIG_I  I  9  .   ? 27.134  17.786  -20.725 1.00 1.30  1   I  1 
HETATM 1885 C C21   . LIG_I  I  9  .   ? 26.553  19.004  -21.316 1.00 1.34  1   I  1 
HETATM 1886 O O3    . LIG_I  I  9  .   ? 25.970  19.789  -20.425 1.00 1.31  1   I  1 
HETATM 1887 P P1    . LIG_I  I  9  .   ? 24.615  20.405  -20.819 1.00 1.37  1   I  1 
HETATM 1888 O O4    . LIG_I  I  9  .   ? 24.643  20.817  -22.165 1.00 1.26  1   I  1 
HETATM 1889 O O5    . LIG_I  I  9  .   ? 23.587  19.547  -20.423 1.00 1.22  1   I  1 
HETATM 1890 O O6    . LIG_I  I  9  .   ? 24.588  21.573  -19.891 1.00 1.30  1   I  1 
HETATM 1891 C C22   . LIG_I  I  9  .   ? 24.520  22.746  -20.280 1.00 1.36  1   I  1 
HETATM 1892 C C23   . LIG_I  I  9  .   ? 24.103  23.572  -19.283 1.00 1.35  1   I  1 
HETATM 1893 N N1    . LIG_I  I  9  .   ? 24.538  24.858  -19.360 1.00 1.88  1   I  1 
HETATM 1894 C C24   . LIG_I  I  9  .   ? 25.947  24.888  -19.421 1.00 1.44  1   I  1 
HETATM 1895 C C25   . LIG_I  I  9  .   ? 24.068  25.497  -18.236 1.00 1.51  1   I  1 
HETATM 1896 C C26   . LIG_I  I  9  .   ? 24.010  25.478  -20.486 1.00 1.55  1   I  1 
HETATM 1897 O O7    . LIG_I  I  9  .   ? 26.306  17.212  -19.832 1.00 1.39  1   I  1 
HETATM 1898 C C27   . LIG_I  I  9  .   ? 25.906  16.098  -20.255 1.00 1.49  1   I  1 
HETATM 1899 O O8    . LIG_I  I  9  .   ? 26.433  15.531  -21.159 1.00 1.45  1   I  1 
HETATM 1900 C C28   . LIG_I  I  9  .   ? 24.858  15.638  -19.731 1.00 1.34  1   I  1 
HETATM 1901 C C29   . LIG_I  I  9  .   ? 24.017  15.033  -20.143 1.00 1.44  1   I  1 
HETATM 1902 C C30   . LIG_I  I  9  .   ? 22.996  14.811  -20.387 1.00 1.41  1   I  1 
HETATM 1903 C C31   . LIG_I  I  9  .   ? 22.015  14.654  -20.786 1.00 1.40  1   I  1 
HETATM 1904 C C32   . LIG_I  I  9  .   ? 20.971  14.683  -21.026 1.00 1.53  1   I  1 
HETATM 1905 C C33   . LIG_I  I  9  .   ? 19.965  14.788  -21.359 1.00 1.49  1   I  1 
HETATM 1906 C C34   . LIG_I  I  9  .   ? 18.916  14.997  -21.243 1.00 1.50  1   I  1 
HETATM 1907 C C35   . LIG_I  I  9  .   ? 18.159  15.265  -20.563 1.00 1.56  1   I  1 
HETATM 1908 C C36   . LIG_I  I  9  .   ? 17.469  15.427  -19.751 1.00 1.67  1   I  1 
HETATM 1909 C C37   . LIG_I  I  9  .   ? 16.860  15.531  -18.853 1.00 1.66  1   I  1 
HETATM 1910 C C38   . LIG_I  I  9  .   ? 16.284  15.560  -17.917 1.00 1.53  1   I  1 
HETATM 1911 C C39   . LIG_I  I  9  .   ? 15.746  15.547  -16.966 1.00 1.61  1   I  1 
HETATM 1912 C C40   . LIG_I  I  9  .   ? 15.250  15.505  -16.002 1.00 1.85  1   I  1 
HETATM 1913 C C41   . LIG_I  I  9  .   ? 14.759  15.460  -15.013 1.00 1.56  1   I  1 
HETATM 1914 C C42   . LIG_I  I  9  .   ? 14.281  15.378  -14.080 1.00 1.57  1   I  1 
HETATM 1915 C C43   . LIG_I  I  9  .   ? 13.729  15.259  -13.180 1.00 1.38  1   I  1 
HETATM 1916 C C44   . LIG_I  I  9  .   ? 13.104  15.074  -12.278 1.00 1.40  1   I  1 
HETATM 1917 C C1    . LIG_J  J  10 .   ? 9.498   12.995  -15.969 1.00 1.84  1   J  1 
HETATM 1918 C C2    . LIG_J  J  10 .   ? 9.537   13.174  -16.676 1.00 2.04  1   J  1 
HETATM 1919 C C3    . LIG_J  J  10 .   ? 9.935   13.807  -17.385 1.00 1.94  1   J  1 
HETATM 1920 C C4    . LIG_J  J  10 .   ? 10.363  14.396  -18.043 1.00 2.28  1   J  1 
HETATM 1921 C C5    . LIG_J  J  10 .   ? 10.846  15.034  -18.665 1.00 2.01  1   J  1 
HETATM 1922 C C6    . LIG_J  J  10 .   ? 11.378  15.649  -19.245 1.00 1.85  1   J  1 
HETATM 1923 C C7    . LIG_J  J  10 .   ? 11.949  16.268  -19.798 1.00 1.77  1   J  1 
HETATM 1924 C C8    . LIG_J  J  10 .   ? 12.580  16.871  -20.314 1.00 1.76  1   J  1 
HETATM 1925 C C9    . LIG_J  J  10 .   ? 13.229  17.461  -20.789 1.00 1.80  1   J  1 
HETATM 1926 C C10   . LIG_J  J  10 .   ? 13.933  18.055  -21.290 1.00 1.76  1   J  1 
HETATM 1927 C C11   . LIG_J  J  10 .   ? 14.643  18.596  -21.800 1.00 1.67  1   J  1 
HETATM 1928 C C12   . LIG_J  J  10 .   ? 15.390  19.093  -22.349 1.00 1.67  1   J  1 
HETATM 1929 C C13   . LIG_J  J  10 .   ? 16.144  19.440  -22.945 1.00 1.43  1   J  1 
HETATM 1930 C C14   . LIG_J  J  10 .   ? 16.943  19.803  -23.512 1.00 1.38  1   J  1 
HETATM 1931 C C15   . LIG_J  J  10 .   ? 17.765  20.027  -24.151 1.00 1.35  1   J  1 
HETATM 1932 C C16   . LIG_J  J  10 .   ? 18.640  20.338  -24.674 1.00 1.34  1   J  1 
HETATM 1933 C C17   . LIG_J  J  10 .   ? 19.511  20.592  -25.264 1.00 1.25  1   J  1 
HETATM 1934 C C18   . LIG_J  J  10 .   ? 20.476  21.365  -25.167 1.00 1.26  1   J  1 
HETATM 1935 O O1    . LIG_J  J  10 .   ? 21.401  21.304  -25.860 1.00 1.62  1   J  1 
HETATM 1936 O O2    . LIG_J  J  10 .   ? 20.303  22.118  -24.240 1.00 1.50  1   J  1 
HETATM 1937 C C19   . LIG_J  J  10 .   ? 21.259  22.882  -23.917 1.00 1.26  1   J  1 
HETATM 1938 C C20   . LIG_J  J  10 .   ? 20.831  23.940  -23.061 1.00 1.28  1   J  1 
HETATM 1939 C C21   . LIG_J  J  10 .   ? 21.971  24.777  -22.750 1.00 1.34  1   J  1 
HETATM 1940 O O3    . LIG_J  J  10 .   ? 22.498  25.278  -23.816 1.00 1.31  1   J  1 
HETATM 1941 P P1    . LIG_J  J  10 .   ? 22.969  26.745  -23.827 1.00 1.39  1   J  1 
HETATM 1942 O O4    . LIG_J  J  10 .   ? 23.641  26.945  -25.063 1.00 1.24  1   J  1 
HETATM 1943 O O5    . LIG_J  J  10 .   ? 23.554  27.059  -22.623 1.00 1.21  1   J  1 
HETATM 1944 O O6    . LIG_J  J  10 .   ? 21.608  27.437  -23.919 1.00 1.37  1   J  1 
HETATM 1945 C C22   . LIG_J  J  10 .   ? 21.441  28.644  -23.640 1.00 1.35  1   J  1 
HETATM 1946 C C23   . LIG_J  J  10 .   ? 20.398  29.273  -24.277 1.00 1.33  1   J  1 
HETATM 1947 N N1    . LIG_J  J  10 .   ? 19.162  29.157  -23.711 1.00 1.98  1   J  1 
HETATM 1948 C C24   . LIG_J  J  10 .   ? 18.489  30.347  -23.887 1.00 1.40  1   J  1 
HETATM 1949 C C25   . LIG_J  J  10 .   ? 19.256  28.847  -22.342 1.00 1.47  1   J  1 
HETATM 1950 C C26   . LIG_J  J  10 .   ? 18.478  28.116  -24.371 1.00 1.53  1   J  1 
HETATM 1951 O O7    . LIG_J  J  10 .   ? 20.369  23.416  -21.888 1.00 1.43  1   J  1 
HETATM 1952 C C27   . LIG_J  J  10 .   ? 19.395  24.006  -21.447 1.00 1.45  1   J  1 
HETATM 1953 O O8    . LIG_J  J  10 .   ? 18.919  24.973  -21.926 1.00 1.45  1   J  1 
HETATM 1954 C C28   . LIG_J  J  10 .   ? 18.893  23.433  -20.445 1.00 1.34  1   J  1 
HETATM 1955 C C29   . LIG_J  J  10 .   ? 18.061  23.359  -19.826 1.00 1.40  1   J  1 
HETATM 1956 C C30   . LIG_J  J  10 .   ? 17.376  22.974  -19.070 1.00 1.37  1   J  1 
HETATM 1957 C C31   . LIG_J  J  10 .   ? 16.651  22.607  -18.405 1.00 1.38  1   J  1 
HETATM 1958 C C32   . LIG_J  J  10 .   ? 15.979  22.096  -17.737 1.00 1.50  1   J  1 
HETATM 1959 C C33   . LIG_J  J  10 .   ? 15.310  21.528  -17.155 1.00 1.47  1   J  1 
HETATM 1960 C C34   . LIG_J  J  10 .   ? 14.669  20.841  -16.637 1.00 1.52  1   J  1 
HETATM 1961 C C35   . LIG_J  J  10 .   ? 14.059  20.093  -16.205 1.00 1.53  1   J  1 
HETATM 1962 C C36   . LIG_J  J  10 .   ? 13.460  19.271  -15.852 1.00 1.64  1   J  1 
HETATM 1963 C C37   . LIG_J  J  10 .   ? 12.854  18.418  -15.573 1.00 1.66  1   J  1 
HETATM 1964 C C38   . LIG_J  J  10 .   ? 12.236  17.523  -15.324 1.00 1.55  1   J  1 
HETATM 1965 C C39   . LIG_J  J  10 .   ? 11.632  16.628  -15.123 1.00 1.61  1   J  1 
HETATM 1966 C C40   . LIG_J  J  10 .   ? 11.044  15.723  -14.970 1.00 1.84  1   J  1 
HETATM 1967 C C41   . LIG_J  J  10 .   ? 10.482  14.793  -14.876 1.00 1.52  1   J  1 
HETATM 1968 C C42   . LIG_J  J  10 .   ? 9.960   13.847  -14.806 1.00 1.52  1   J  1 
HETATM 1969 C C43   . LIG_J  J  10 .   ? 9.466   12.903  -14.741 1.00 1.37  1   J  1 
HETATM 1970 C C44   . LIG_J  J  10 .   ? 8.932   11.853  -14.607 1.00 1.42  1   J  1 
HETATM 1971 C C1    . LIG_K  K  11 .   ? 7.812   14.381  -22.852 1.00 2.02  1   K  1 
HETATM 1972 C C2    . LIG_K  K  11 .   ? 7.285   15.050  -23.364 1.00 2.31  1   K  1 
HETATM 1973 C C3    . LIG_K  K  11 .   ? 6.225   15.188  -23.674 1.00 2.15  1   K  1 
HETATM 1974 C C4    . LIG_K  K  11 .   ? 5.149   14.997  -23.830 1.00 2.54  1   K  1 
HETATM 1975 C C5    . LIG_K  K  11 .   ? 4.052   14.731  -23.924 1.00 2.06  1   K  1 
HETATM 1976 C C6    . LIG_K  K  11 .   ? 2.978   14.372  -23.943 1.00 1.91  1   K  1 
HETATM 1977 C C7    . LIG_K  K  11 .   ? 1.911   14.030  -23.937 1.00 1.73  1   K  1 
HETATM 1978 C C8    . LIG_K  K  11 .   ? 0.833   13.689  -23.897 1.00 1.78  1   K  1 
HETATM 1979 C C9    . LIG_K  K  11 .   ? -0.233  13.370  -23.822 1.00 1.75  1   K  1 
HETATM 1980 C C10   . LIG_K  K  11 .   ? -1.350  13.056  -23.712 1.00 1.79  1   K  1 
HETATM 1981 C C11   . LIG_K  K  11 .   ? -2.438  12.774  -23.578 1.00 1.67  1   K  1 
HETATM 1982 C C12   . LIG_K  K  11 .   ? -3.549  12.471  -23.392 1.00 1.62  1   K  1 
HETATM 1983 C C13   . LIG_K  K  11 .   ? -4.629  12.165  -23.241 1.00 1.35  1   K  1 
HETATM 1984 C C14   . LIG_K  K  11 .   ? -5.721  11.816  -23.008 1.00 1.35  1   K  1 
HETATM 1985 C C15   . LIG_K  K  11 .   ? -6.772  11.457  -22.878 1.00 1.32  1   K  1 
HETATM 1986 C C16   . LIG_K  K  11 .   ? -7.862  11.073  -22.616 1.00 1.32  1   K  1 
HETATM 1987 C C17   . LIG_K  K  11 .   ? -8.892  10.730  -22.597 1.00 1.26  1   K  1 
HETATM 1988 C C18   . LIG_K  K  11 .   ? -10.031 10.358  -22.082 1.00 1.27  1   K  1 
HETATM 1989 O O1    . LIG_K  K  11 .   ? -11.015 10.976  -22.230 1.00 1.68  1   K  1 
HETATM 1990 O O2    . LIG_K  K  11 .   ? -9.958  9.336   -21.411 1.00 1.55  1   K  1 
HETATM 1991 C C19   . LIG_K  K  11 .   ? -11.021 8.937   -20.724 1.00 1.23  1   K  1 
HETATM 1992 C C20   . LIG_K  K  11 .   ? -10.688 7.820   -19.833 1.00 1.26  1   K  1 
HETATM 1993 C C21   . LIG_K  K  11 .   ? -11.865 7.348   -19.091 1.00 1.26  1   K  1 
HETATM 1994 O O3    . LIG_K  K  11 .   ? -12.700 6.779   -19.950 1.00 1.28  1   K  1 
HETATM 1995 P P1    . LIG_K  K  11 .   ? -13.372 5.434   -19.680 1.00 1.21  1   K  1 
HETATM 1996 O O4    . LIG_K  K  11 .   ? -13.970 5.026   -20.894 1.00 1.19  1   K  1 
HETATM 1997 O O5    . LIG_K  K  11 .   ? -12.572 4.544   -18.991 1.00 1.17  1   K  1 
HETATM 1998 O O6    . LIG_K  K  11 .   ? -14.445 5.923   -18.677 1.00 1.27  1   K  1 
HETATM 1999 C C22   . LIG_K  K  11 .   ? -15.667 5.977   -18.966 1.00 1.24  1   K  1 
HETATM 2000 C C23   . LIG_K  K  11 .   ? -16.409 6.585   -17.968 1.00 1.23  1   K  1 
HETATM 2001 N N1    . LIG_K  K  11 .   ? -17.766 6.606   -18.162 1.00 1.72  1   K  1 
HETATM 2002 C C24   . LIG_K  K  11 .   ? -18.257 5.273   -18.286 1.00 1.23  1   K  1 
HETATM 2003 C C25   . LIG_K  K  11 .   ? -18.333 7.192   -17.025 1.00 1.28  1   K  1 
HETATM 2004 C C26   . LIG_K  K  11 .   ? -18.086 7.338   -19.329 1.00 1.31  1   K  1 
HETATM 2005 O O7    . LIG_K  K  11 .   ? -9.757  8.255   -18.915 1.00 1.42  1   K  1 
HETATM 2006 C C27   . LIG_K  K  11 .   ? -8.642  7.670   -19.027 1.00 1.43  1   K  1 
HETATM 2007 O O8    . LIG_K  K  11 .   ? -8.538  6.645   -19.619 1.00 1.45  1   K  1 
HETATM 2008 C C28   . LIG_K  K  11 .   ? -7.613  8.276   -18.532 1.00 1.32  1   K  1 
HETATM 2009 C C29   . LIG_K  K  11 .   ? -6.543  8.469   -18.924 1.00 1.43  1   K  1 
HETATM 2010 C C30   . LIG_K  K  11 .   ? -5.510  8.843   -19.118 1.00 1.43  1   K  1 
HETATM 2011 C C31   . LIG_K  K  11 .   ? -4.490  9.157   -19.483 1.00 1.40  1   K  1 
HETATM 2012 C C32   . LIG_K  K  11 .   ? -3.473  9.509   -19.767 1.00 1.52  1   K  1 
HETATM 2013 C C33   . LIG_K  K  11 .   ? -2.435  9.838   -20.081 1.00 1.49  1   K  1 
HETATM 2014 C C34   . LIG_K  K  11 .   ? -1.375  10.155  -20.352 1.00 1.51  1   K  1 
HETATM 2015 C C35   . LIG_K  K  11 .   ? -0.294  10.449  -20.595 1.00 1.51  1   K  1 
HETATM 2016 C C36   . LIG_K  K  11 .   ? 0.801   10.736  -20.807 1.00 1.62  1   K  1 
HETATM 2017 C C37   . LIG_K  K  11 .   ? 1.909   11.013  -20.987 1.00 1.65  1   K  1 
HETATM 2018 C C38   . LIG_K  K  11 .   ? 3.034   11.281  -21.132 1.00 1.53  1   K  1 
HETATM 2019 C C39   . LIG_K  K  11 .   ? 4.165   11.549  -21.264 1.00 1.63  1   K  1 
HETATM 2020 C C40   . LIG_K  K  11 .   ? 5.269   11.849  -21.412 1.00 1.87  1   K  1 
HETATM 2021 C C41   . LIG_K  K  11 .   ? 6.373   12.157  -21.566 1.00 1.58  1   K  1 
HETATM 2022 C C42   . LIG_K  K  11 .   ? 7.421   12.476  -21.749 1.00 1.60  1   K  1 
HETATM 2023 C C43   . LIG_K  K  11 .   ? 8.490   12.726  -21.898 1.00 1.41  1   K  1 
HETATM 2024 C C44   . LIG_K  K  11 .   ? 9.673   12.953  -22.041 1.00 1.50  1   K  1 
HETATM 2025 C C1    . LIG_L  L  12 .   ? 3.177   17.808  -12.617 1.00 2.00  1   L  1 
HETATM 2026 C C2    . LIG_L  L  12 .   ? 2.938   18.063  -13.501 1.00 2.06  1   L  1 
HETATM 2027 C C3    . LIG_L  L  12 .   ? 1.996   18.022  -14.049 1.00 1.94  1   L  1 
HETATM 2028 C C4    . LIG_L  L  12 .   ? 0.943   17.867  -14.236 1.00 2.30  1   L  1 
HETATM 2029 C C5    . LIG_L  L  12 .   ? -0.134  17.715  -14.403 1.00 2.04  1   L  1 
HETATM 2030 C C6    . LIG_L  L  12 .   ? -1.220  17.575  -14.503 1.00 1.82  1   L  1 
HETATM 2031 C C7    . LIG_L  L  12 .   ? -2.300  17.487  -14.593 1.00 1.71  1   L  1 
HETATM 2032 C C8    . LIG_L  L  12 .   ? -3.395  17.427  -14.685 1.00 1.78  1   L  1 
HETATM 2033 C C9    . LIG_L  L  12 .   ? -4.464  17.380  -14.807 1.00 1.80  1   L  1 
HETATM 2034 C C10   . LIG_L  L  12 .   ? -5.578  17.337  -14.954 1.00 1.83  1   L  1 
HETATM 2035 C C11   . LIG_L  L  12 .   ? -6.662  17.294  -15.129 1.00 1.74  1   L  1 
HETATM 2036 C C12   . LIG_L  L  12 .   ? -7.768  17.206  -15.278 1.00 1.70  1   L  1 
HETATM 2037 C C13   . LIG_L  L  12 .   ? -8.852  17.144  -15.444 1.00 1.38  1   L  1 
HETATM 2038 C C14   . LIG_L  L  12 .   ? -9.965  17.031  -15.556 1.00 1.34  1   L  1 
HETATM 2039 C C15   . LIG_L  L  12 .   ? -11.028 16.949  -15.717 1.00 1.32  1   L  1 
HETATM 2040 C C16   . LIG_L  L  12 .   ? -12.159 16.732  -15.753 1.00 1.34  1   L  1 
HETATM 2041 C C17   . LIG_L  L  12 .   ? -13.181 16.619  -15.906 1.00 1.26  1   L  1 
HETATM 2042 C C18   . LIG_L  L  12 .   ? -14.400 16.314  -15.739 1.00 1.28  1   L  1 
HETATM 2043 O O1    . LIG_L  L  12 .   ? -15.252 16.911  -16.275 1.00 1.65  1   L  1 
HETATM 2044 O O2    . LIG_L  L  12 .   ? -14.563 15.370  -14.984 1.00 1.54  1   L  1 
HETATM 2045 C C19   . LIG_L  L  12 .   ? -15.786 15.064  -14.652 1.00 1.25  1   L  1 
HETATM 2046 C C20   . LIG_L  L  12 .   ? -15.857 14.088  -13.570 1.00 1.26  1   L  1 
HETATM 2047 C C21   . LIG_L  L  12 .   ? -17.241 13.973  -13.080 1.00 1.28  1   L  1 
HETATM 2048 O O3    . LIG_L  L  12 .   ? -18.051 13.749  -14.085 1.00 1.30  1   L  1 
HETATM 2049 P P1    . LIG_L  L  12 .   ? -19.537 13.651  -13.780 1.00 1.22  1   L  1 
HETATM 2050 O O4    . LIG_L  L  12 .   ? -20.202 14.808  -14.215 1.00 1.18  1   L  1 
HETATM 2051 O O5    . LIG_L  L  12 .   ? -19.722 13.228  -12.459 1.00 1.18  1   L  1 
HETATM 2052 O O6    . LIG_L  L  12 .   ? -19.879 12.472  -14.721 1.00 1.28  1   L  1 
HETATM 2053 C C22   . LIG_L  L  12 .   ? -20.848 11.866  -14.487 1.00 1.25  1   L  1 
HETATM 2054 C C23   . LIG_L  L  12 .   ? -21.284 10.803  -15.134 1.00 1.25  1   L  1 
HETATM 2055 N N1    . LIG_L  L  12 .   ? -22.123 10.018  -14.374 1.00 1.67  1   L  1 
HETATM 2056 C C24   . LIG_L  L  12 .   ? -21.316 9.198   -13.571 1.00 1.27  1   L  1 
HETATM 2057 C C25   . LIG_L  L  12 .   ? -22.898 9.244   -15.231 1.00 1.28  1   L  1 
HETATM 2058 C C26   . LIG_L  L  12 .   ? -22.946 10.801  -13.537 1.00 1.33  1   L  1 
HETATM 2059 O O7    . LIG_L  L  12 .   ? -15.118 14.525  -12.500 1.00 1.44  1   L  1 
HETATM 2060 C C27   . LIG_L  L  12 .   ? -14.164 13.776  -12.201 1.00 1.43  1   L  1 
HETATM 2061 O O8    . LIG_L  L  12 .   ? -13.994 12.722  -12.732 1.00 1.48  1   L  1 
HETATM 2062 C C28   . LIG_L  L  12 .   ? -13.325 14.238  -11.346 1.00 1.33  1   L  1 
HETATM 2063 C C29   . LIG_L  L  12 .   ? -12.192 14.193  -11.272 1.00 1.44  1   L  1 
HETATM 2064 C C30   . LIG_L  L  12 .   ? -11.125 14.302  -11.115 1.00 1.44  1   L  1 
HETATM 2065 C C31   . LIG_L  L  12 .   ? -10.024 14.362  -11.025 1.00 1.42  1   L  1 
HETATM 2066 C C32   . LIG_L  L  12 .   ? -8.946  14.470  -10.884 1.00 1.57  1   L  1 
HETATM 2067 C C33   . LIG_L  L  12 .   ? -7.851  14.587  -10.769 1.00 1.51  1   L  1 
HETATM 2068 C C34   . LIG_L  L  12 .   ? -6.749  14.753  -10.657 1.00 1.56  1   L  1 
HETATM 2069 C C35   . LIG_L  L  12 .   ? -5.644  14.939  -10.583 1.00 1.54  1   L  1 
HETATM 2070 C C36   . LIG_L  L  12 .   ? -4.531  15.145  -10.554 1.00 1.68  1   L  1 
HETATM 2071 C C37   . LIG_L  L  12 .   ? -3.414  15.365  -10.565 1.00 1.72  1   L  1 
HETATM 2072 C C38   . LIG_L  L  12 .   ? -2.291  15.594  -10.592 1.00 1.54  1   L  1 
HETATM 2073 C C39   . LIG_L  L  12 .   ? -1.161  15.832  -10.627 1.00 1.60  1   L  1 
HETATM 2074 C C40   . LIG_L  L  12 .   ? -0.054  16.077  -10.692 1.00 1.89  1   L  1 
HETATM 2075 C C41   . LIG_L  L  12 .   ? 1.050   16.338  -10.752 1.00 1.53  1   L  1 
HETATM 2076 C C42   . LIG_L  L  12 .   ? 2.103   16.611  -10.787 1.00 1.52  1   L  1 
HETATM 2077 C C43   . LIG_L  L  12 .   ? 3.168   16.838  -10.719 1.00 1.34  1   L  1 
HETATM 2078 C C44   . LIG_L  L  12 .   ? 4.325   17.073  -10.557 1.00 1.41  1   L  1 
HETATM 2079 C C1    . LIG_M  M  13 .   ? 9.962   7.871   -13.412 1.00 1.95  1   M  1 
HETATM 2080 C C2    . LIG_M  M  13 .   ? 9.190   8.409   -13.558 1.00 2.10  1   M  1 
HETATM 2081 C C3    . LIG_M  M  13 .   ? 8.133   8.197   -13.679 1.00 1.92  1   M  1 
HETATM 2082 C C4    . LIG_M  M  13 .   ? 7.222   7.667   -13.857 1.00 2.30  1   M  1 
HETATM 2083 C C5    . LIG_M  M  13 .   ? 6.304   7.113   -14.049 1.00 2.01  1   M  1 
HETATM 2084 C C6    . LIG_M  M  13 .   ? 5.421   6.506   -14.269 1.00 1.80  1   M  1 
HETATM 2085 C C7    . LIG_M  M  13 .   ? 4.540   5.918   -14.498 1.00 1.72  1   M  1 
HETATM 2086 C C8    . LIG_M  M  13 .   ? 3.639   5.328   -14.724 1.00 1.76  1   M  1 
HETATM 2087 C C9    . LIG_M  M  13 .   ? 2.745   4.757   -14.944 1.00 1.87  1   M  1 
HETATM 2088 C C10   . LIG_M  M  13 .   ? 1.811   4.151   -15.144 1.00 1.93  1   M  1 
HETATM 2089 C C11   . LIG_M  M  13 .   ? 0.896   3.580   -15.362 1.00 1.82  1   M  1 
HETATM 2090 C C12   . LIG_M  M  13 .   ? -0.042  2.979   -15.551 1.00 1.79  1   M  1 
HETATM 2091 C C13   . LIG_M  M  13 .   ? -0.949  2.430   -15.832 1.00 1.43  1   M  1 
HETATM 2092 C C14   . LIG_M  M  13 .   ? -1.892  1.834   -15.983 1.00 1.41  1   M  1 
HETATM 2093 C C15   . LIG_M  M  13 .   ? -2.789  1.276   -16.293 1.00 1.38  1   M  1 
HETATM 2094 C C16   . LIG_M  M  13 .   ? -3.758  0.639   -16.342 1.00 1.40  1   M  1 
HETATM 2095 C C17   . LIG_M  M  13 .   ? -4.654  0.113   -16.731 1.00 1.27  1   M  1 
HETATM 2096 C C18   . LIG_M  M  13 .   ? -5.678  -0.570  -16.398 1.00 1.34  1   M  1 
HETATM 2097 O O1    . LIG_M  M  13 .   ? -6.601  -0.714  -17.104 1.00 1.85  1   M  1 
HETATM 2098 O O2    . LIG_M  M  13 .   ? -5.566  -1.037  -15.278 1.00 1.73  1   M  1 
HETATM 2099 C C19   . LIG_M  M  13 .   ? -6.591  -1.637  -14.744 1.00 1.29  1   M  1 
HETATM 2100 C C20   . LIG_M  M  13 .   ? -6.349  -2.052  -13.387 1.00 1.40  1   M  1 
HETATM 2101 C C21   . LIG_M  M  13 .   ? -7.620  -2.108  -12.650 1.00 1.46  1   M  1 
HETATM 2102 O O3    . LIG_M  M  13 .   ? -8.531  -2.707  -13.371 1.00 1.43  1   M  1 
HETATM 2103 P P1    . LIG_M  M  13 .   ? -9.719  -3.413  -12.669 1.00 1.46  1   M  1 
HETATM 2104 O O4    . LIG_M  M  13 .   ? -9.437  -4.797  -12.648 1.00 1.33  1   M  1 
HETATM 2105 O O5    . LIG_M  M  13 .   ? -10.086 -2.766  -11.492 1.00 1.36  1   M  1 
HETATM 2106 O O6    . LIG_M  M  13 .   ? -10.818 -3.097  -13.681 1.00 1.46  1   M  1 
HETATM 2107 C C22   . LIG_M  M  13 .   ? -10.886 -3.642  -14.800 1.00 1.41  1   M  1 
HETATM 2108 C C23   . LIG_M  M  13 .   ? -12.055 -3.363  -15.485 1.00 1.32  1   M  1 
HETATM 2109 N N1    . LIG_M  M  13 .   ? -12.113 -3.872  -16.776 1.00 1.84  1   M  1 
HETATM 2110 C C24   . LIG_M  M  13 .   ? -13.367 -3.513  -17.332 1.00 1.31  1   M  1 
HETATM 2111 C C25   . LIG_M  M  13 .   ? -12.014 -5.286  -16.727 1.00 1.39  1   M  1 
HETATM 2112 C C26   . LIG_M  M  13 .   ? -11.053 -3.335  -17.532 1.00 1.42  1   M  1 
HETATM 2113 O O7    . LIG_M  M  13 .   ? -5.569  -1.111  -12.753 1.00 1.61  1   M  1 
HETATM 2114 C C27   . LIG_M  M  13 .   ? -4.544  -1.574  -12.155 1.00 1.77  1   M  1 
HETATM 2115 O O8    . LIG_M  M  13 .   ? -4.417  -2.724  -11.891 1.00 1.70  1   M  1 
HETATM 2116 C C28   . LIG_M  M  13 .   ? -3.623  -0.709  -11.879 1.00 1.52  1   M  1 
HETATM 2117 C C29   . LIG_M  M  13 .   ? -2.538  -0.568  -11.671 1.00 1.65  1   M  1 
HETATM 2118 C C30   . LIG_M  M  13 .   ? -1.514  -0.104  -11.544 1.00 1.71  1   M  1 
HETATM 2119 C C31   . LIG_M  M  13 .   ? -0.443  0.206   -11.442 1.00 1.59  1   M  1 
HETATM 2120 C C32   . LIG_M  M  13 .   ? 0.598   0.598   -11.337 1.00 1.71  1   M  1 
HETATM 2121 C C33   . LIG_M  M  13 .   ? 1.661   0.962   -11.263 1.00 1.62  1   M  1 
HETATM 2122 C C34   . LIG_M  M  13 .   ? 2.722   1.354   -11.209 1.00 1.59  1   M  1 
HETATM 2123 C C35   . LIG_M  M  13 .   ? 3.788   1.753   -11.189 1.00 1.56  1   M  1 
HETATM 2124 C C36   . LIG_M  M  13 .   ? 4.847   2.170   -11.214 1.00 1.68  1   M  1 
HETATM 2125 C C37   . LIG_M  M  13 .   ? 5.902   2.605   -11.267 1.00 1.73  1   M  1 
HETATM 2126 C C38   . LIG_M  M  13 .   ? 6.940   3.084   -11.347 1.00 1.57  1   M  1 
HETATM 2127 C C39   . LIG_M  M  13 .   ? 7.945   3.622   -11.469 1.00 1.58  1   M  1 
HETATM 2128 C C40   . LIG_M  M  13 .   ? 8.855   4.280   -11.674 1.00 1.84  1   M  1 
HETATM 2129 C C41   . LIG_M  M  13 .   ? 9.663   5.018   -11.965 1.00 1.56  1   M  1 
HETATM 2130 C C42   . LIG_M  M  13 .   ? 10.398  5.767   -12.281 1.00 1.53  1   M  1 
HETATM 2131 C C43   . LIG_M  M  13 .   ? 11.139  6.505   -12.592 1.00 1.34  1   M  1 
HETATM 2132 C C44   . LIG_M  M  13 .   ? 12.070  7.245   -12.908 1.00 1.38  1   M  1 
HETATM 2133 C C1    . LIG_N  N  14 .   ? 7.093   14.282  -12.757 1.00 1.85  1   N  1 
HETATM 2134 C C2    . LIG_N  N  14 .   ? 6.465   14.425  -13.371 1.00 1.97  1   N  1 
HETATM 2135 C C3    . LIG_N  N  14 .   ? 5.413   14.299  -13.612 1.00 1.89  1   N  1 
HETATM 2136 C C4    . LIG_N  N  14 .   ? 4.386   14.065  -13.714 1.00 2.17  1   N  1 
HETATM 2137 C C5    . LIG_N  N  14 .   ? 3.330   13.801  -13.746 1.00 1.95  1   N  1 
HETATM 2138 C C6    . LIG_N  N  14 .   ? 2.291   13.479  -13.694 1.00 1.75  1   N  1 
HETATM 2139 C C7    . LIG_N  N  14 .   ? 1.272   13.104  -13.637 1.00 1.71  1   N  1 
HETATM 2140 C C8    . LIG_N  N  14 .   ? 0.277   12.668  -13.572 1.00 1.70  1   N  1 
HETATM 2141 C C9    . LIG_N  N  14 .   ? -0.696  12.189  -13.519 1.00 1.78  1   N  1 
HETATM 2142 C C10   . LIG_N  N  14 .   ? -1.689  11.667  -13.479 1.00 1.85  1   N  1 
HETATM 2143 C C11   . LIG_N  N  14 .   ? -2.658  11.143  -13.449 1.00 1.74  1   N  1 
HETATM 2144 C C12   . LIG_N  N  14 .   ? -3.643  10.625  -13.447 1.00 1.75  1   N  1 
HETATM 2145 C C13   . LIG_N  N  14 .   ? -4.629  10.137  -13.467 1.00 1.42  1   N  1 
HETATM 2146 C C14   . LIG_N  N  14 .   ? -5.646  9.708   -13.461 1.00 1.41  1   N  1 
HETATM 2147 C C15   . LIG_N  N  14 .   ? -6.660  9.309   -13.515 1.00 1.36  1   N  1 
HETATM 2148 C C16   . LIG_N  N  14 .   ? -7.744  9.063   -13.454 1.00 1.39  1   N  1 
HETATM 2149 C C17   . LIG_N  N  14 .   ? -8.791  8.794   -13.571 1.00 1.26  1   N  1 
HETATM 2150 C C18   . LIG_N  N  14 .   ? -9.965  9.152   -13.221 1.00 1.30  1   N  1 
HETATM 2151 O O1    . LIG_N  N  14 .   ? -10.664 9.737   -13.942 1.00 1.76  1   N  1 
HETATM 2152 O O2    . LIG_N  N  14 .   ? -10.222 8.893   -12.058 1.00 1.60  1   N  1 
HETATM 2153 C C19   . LIG_N  N  14 .   ? -11.328 9.369   -11.563 1.00 1.24  1   N  1 
HETATM 2154 C C20   . LIG_N  N  14 .   ? -11.434 9.174   -10.139 1.00 1.27  1   N  1 
HETATM 2155 C C21   . LIG_N  N  14 .   ? -12.768 9.635   -9.680  1.00 1.29  1   N  1 
HETATM 2156 O O3    . LIG_N  N  14 .   ? -13.689 8.854   -10.261 1.00 1.28  1   N  1 
HETATM 2157 P P1    . LIG_N  N  14 .   ? -15.215 9.096   -10.117 1.00 1.22  1   N  1 
HETATM 2158 O O4    . LIG_N  N  14 .   ? -15.475 10.168  -9.231  1.00 1.18  1   N  1 
HETATM 2159 O O5    . LIG_N  N  14 .   ? -15.828 7.853   -9.908  1.00 1.16  1   N  1 
HETATM 2160 O O6    . LIG_N  N  14 .   ? -15.555 9.609   -11.528 1.00 1.28  1   N  1 
HETATM 2161 C C22   . LIG_N  N  14 .   ? -15.760 8.865   -12.522 1.00 1.28  1   N  1 
HETATM 2162 C C23   . LIG_N  N  14 .   ? -16.105 9.508   -13.706 1.00 1.25  1   N  1 
HETATM 2163 N N1    . LIG_N  N  14 .   ? -15.201 9.470   -14.750 1.00 1.84  1   N  1 
HETATM 2164 C C24   . LIG_N  N  14 .   ? -14.268 10.502  -14.582 1.00 1.30  1   N  1 
HETATM 2165 C C25   . LIG_N  N  14 .   ? -15.874 9.662   -15.948 1.00 1.30  1   N  1 
HETATM 2166 C C26   . LIG_N  N  14 .   ? -14.516 8.237   -14.779 1.00 1.34  1   N  1 
HETATM 2167 O O7    . LIG_N  N  14 .   ? -10.453 9.931   -9.515  1.00 1.46  1   N  1 
HETATM 2168 C C27   . LIG_N  N  14 .   ? -9.571  9.278   -8.882  1.00 1.51  1   N  1 
HETATM 2169 O O8    . LIG_N  N  14 .   ? -9.750  8.175   -8.508  1.00 1.48  1   N  1 
HETATM 2170 C C28   . LIG_N  N  14 .   ? -8.434  9.901   -8.710  1.00 1.36  1   N  1 
HETATM 2171 C C29   . LIG_N  N  14 .   ? -7.323  9.841   -8.839  1.00 1.47  1   N  1 
HETATM 2172 C C30   . LIG_N  N  14 .   ? -6.215  10.128  -8.896  1.00 1.50  1   N  1 
HETATM 2173 C C31   . LIG_N  N  14 .   ? -5.123  10.340  -9.028  1.00 1.43  1   N  1 
HETATM 2174 C C32   . LIG_N  N  14 .   ? -4.030  10.629  -9.116  1.00 1.59  1   N  1 
HETATM 2175 C C33   . LIG_N  N  14 .   ? -2.930  10.889  -9.225  1.00 1.53  1   N  1 
HETATM 2176 C C34   . LIG_N  N  14 .   ? -1.822  11.170  -9.302  1.00 1.57  1   N  1 
HETATM 2177 C C35   . LIG_N  N  14 .   ? -0.713  11.434  -9.391  1.00 1.52  1   N  1 
HETATM 2178 C C36   . LIG_N  N  14 .   ? 0.404   11.688  -9.489  1.00 1.66  1   N  1 
HETATM 2179 C C37   . LIG_N  N  14 .   ? 1.522   11.936  -9.612  1.00 1.65  1   N  1 
HETATM 2180 C C38   . LIG_N  N  14 .   ? 2.640   12.177  -9.766  1.00 1.53  1   N  1 
HETATM 2181 C C39   . LIG_N  N  14 .   ? 3.752   12.420  -9.974  1.00 1.60  1   N  1 
HETATM 2182 C C40   . LIG_N  N  14 .   ? 4.826   12.701  -10.234 1.00 1.69  1   N  1 
HETATM 2183 C C41   . LIG_N  N  14 .   ? 5.882   13.003  -10.561 1.00 1.44  1   N  1 
HETATM 2184 C C42   . LIG_N  N  14 .   ? 6.871   13.342  -10.931 1.00 1.46  1   N  1 
HETATM 2185 C C43   . LIG_N  N  14 .   ? 7.869   13.701  -11.251 1.00 1.32  1   N  1 
HETATM 2186 C C44   . LIG_N  N  14 .   ? 8.970   14.101  -11.539 1.00 1.34  1   N  1 
HETATM 2187 C C1    . LIG_O  O  15 .   ? 10.033  22.134  -4.448  1.00 1.90  1   O  1 
HETATM 2188 C C2    . LIG_O  O  15 .   ? 10.350  21.527  -3.796  1.00 2.03  1   O  1 
HETATM 2189 C C3    . LIG_O  O  15 .   ? 11.204  21.628  -3.175  1.00 1.88  1   O  1 
HETATM 2190 C C4    . LIG_O  O  15 .   ? 12.079  22.132  -2.866  1.00 2.29  1   O  1 
HETATM 2191 C C5    . LIG_O  O  15 .   ? 12.918  22.729  -2.607  1.00 2.00  1   O  1 
HETATM 2192 C C6    . LIG_O  O  15 .   ? 13.660  23.481  -2.445  1.00 1.82  1   O  1 
HETATM 2193 C C7    . LIG_O  O  15 .   ? 14.322  24.271  -2.309  1.00 1.69  1   O  1 
HETATM 2194 C C8    . LIG_O  O  15 .   ? 14.939  25.128  -2.206  1.00 1.71  1   O  1 
HETATM 2195 C C9    . LIG_O  O  15 .   ? 15.497  25.988  -2.107  1.00 1.81  1   O  1 
HETATM 2196 C C10   . LIG_O  O  15 .   ? 16.053  26.907  -2.004  1.00 1.83  1   O  1 
HETATM 2197 C C11   . LIG_O  O  15 .   ? 16.571  27.815  -1.896  1.00 1.75  1   O  1 
HETATM 2198 C C12   . LIG_O  O  15 .   ? 17.116  28.732  -1.835  1.00 1.75  1   O  1 
HETATM 2199 C C13   . LIG_O  O  15 .   ? 17.670  29.625  -1.770  1.00 1.45  1   O  1 
HETATM 2200 C C14   . LIG_O  O  15 .   ? 18.223  30.532  -1.882  1.00 1.37  1   O  1 
HETATM 2201 C C15   . LIG_O  O  15 .   ? 18.825  31.385  -1.973  1.00 1.36  1   O  1 
HETATM 2202 C C16   . LIG_O  O  15 .   ? 19.418  32.235  -2.381  1.00 1.32  1   O  1 
HETATM 2203 C C17   . LIG_O  O  15 .   ? 20.111  32.993  -2.480  1.00 1.23  1   O  1 
HETATM 2204 C C18   . LIG_O  O  15 .   ? 20.677  33.856  -3.194  1.00 1.29  1   O  1 
HETATM 2205 O O1    . LIG_O  O  15 .   ? 21.491  34.551  -2.726  1.00 1.65  1   O  1 
HETATM 2206 O O2    . LIG_O  O  15 .   ? 20.302  33.841  -4.354  1.00 1.52  1   O  1 
HETATM 2207 C C19   . LIG_O  O  15 .   ? 20.862  34.658  -5.187  1.00 1.26  1   O  1 
HETATM 2208 C C20   . LIG_O  O  15 .   ? 19.939  35.146  -6.188  1.00 1.29  1   O  1 
HETATM 2209 C C21   . LIG_O  O  15 .   ? 20.603  36.101  -7.092  1.00 1.35  1   O  1 
HETATM 2210 O O3    . LIG_O  O  15 .   ? 21.579  35.532  -7.729  1.00 1.31  1   O  1 
HETATM 2211 P P1    . LIG_O  O  15 .   ? 22.149  36.190  -8.988  1.00 1.42  1   O  1 
HETATM 2212 O O4    . LIG_O  O  15 .   ? 23.445  35.666  -9.198  1.00 1.24  1   O  1 
HETATM 2213 O O5    . LIG_O  O  15 .   ? 21.896  37.529  -9.016  1.00 1.20  1   O  1 
HETATM 2214 O O6    . LIG_O  O  15 .   ? 21.252  35.426  -9.971  1.00 1.35  1   O  1 
HETATM 2215 C C22   . LIG_O  O  15 .   ? 20.633  35.820  -10.911 1.00 1.36  1   O  1 
HETATM 2216 C C23   . LIG_O  O  15 .   ? 19.748  34.835  -11.266 1.00 1.35  1   O  1 
HETATM 2217 N N1    . LIG_O  O  15 .   ? 18.970  35.065  -12.319 1.00 1.91  1   O  1 
HETATM 2218 C C24   . LIG_O  O  15 .   ? 19.749  35.047  -13.493 1.00 1.43  1   O  1 
HETATM 2219 C C25   . LIG_O  O  15 .   ? 18.059  34.023  -12.334 1.00 1.52  1   O  1 
HETATM 2220 C C26   . LIG_O  O  15 .   ? 18.312  36.294  -12.179 1.00 1.57  1   O  1 
HETATM 2221 O O7    . LIG_O  O  15 .   ? 18.923  35.836  -5.586  1.00 1.44  1   O  1 
HETATM 2222 C C27   . LIG_O  O  15 .   ? 17.803  35.502  -5.956  1.00 1.51  1   O  1 
HETATM 2223 O O8    . LIG_O  O  15 .   ? 17.614  34.801  -6.892  1.00 1.46  1   O  1 
HETATM 2224 C C28   . LIG_O  O  15 .   ? 16.858  35.866  -5.216  1.00 1.34  1   O  1 
HETATM 2225 C C29   . LIG_O  O  15 .   ? 16.009  35.276  -4.780  1.00 1.42  1   O  1 
HETATM 2226 C C30   . LIG_O  O  15 .   ? 15.362  34.629  -4.290  1.00 1.39  1   O  1 
HETATM 2227 C C31   . LIG_O  O  15 .   ? 14.744  33.870  -3.800  1.00 1.42  1   O  1 
HETATM 2228 C C32   . LIG_O  O  15 .   ? 14.223  33.080  -3.338  1.00 1.55  1   O  1 
HETATM 2229 C C33   . LIG_O  O  15 .   ? 13.733  32.229  -2.923  1.00 1.50  1   O  1 
HETATM 2230 C C34   . LIG_O  O  15 .   ? 13.285  31.310  -2.658  1.00 1.51  1   O  1 
HETATM 2231 C C35   . LIG_O  O  15 .   ? 12.855  30.350  -2.554  1.00 1.58  1   O  1 
HETATM 2232 C C36   . LIG_O  O  15 .   ? 12.433  29.365  -2.647  1.00 1.66  1   O  1 
HETATM 2233 C C37   . LIG_O  O  15 .   ? 12.005  28.403  -2.873  1.00 1.70  1   O  1 
HETATM 2234 C C38   . LIG_O  O  15 .   ? 11.560  27.460  -3.222  1.00 1.57  1   O  1 
HETATM 2235 C C39   . LIG_O  O  15 .   ? 11.098  26.560  -3.642  1.00 1.64  1   O  1 
HETATM 2236 C C40   . LIG_O  O  15 .   ? 10.623  25.680  -4.090  1.00 1.96  1   O  1 
HETATM 2237 C C41   . LIG_O  O  15 .   ? 10.144  24.829  -4.581  1.00 1.60  1   O  1 
HETATM 2238 C C42   . LIG_O  O  15 .   ? 9.693   24.017  -5.120  1.00 1.57  1   O  1 
HETATM 2239 C C43   . LIG_O  O  15 .   ? 9.234   23.252  -5.682  1.00 1.34  1   O  1 
HETATM 2240 C C44   . LIG_O  O  15 .   ? 8.720   22.473  -6.381  1.00 1.40  1   O  1 
HETATM 2241 C C1    . LIG_P  P  16 .   ? 7.601   27.935  -5.388  1.00 1.94  1   P  1 
HETATM 2242 C C2    . LIG_P  P  16 .   ? 8.104   28.473  -4.471  1.00 2.18  1   P  1 
HETATM 2243 C C3    . LIG_P  P  16 .   ? 7.756   28.998  -3.510  1.00 1.97  1   P  1 
HETATM 2244 C C4    . LIG_P  P  16 .   ? 7.017   29.398  -2.729  1.00 2.27  1   P  1 
HETATM 2245 C C5    . LIG_P  P  16 .   ? 6.173   29.714  -2.016  1.00 1.98  1   P  1 
HETATM 2246 C C6    . LIG_P  P  16 .   ? 5.224   29.962  -1.416  1.00 1.86  1   P  1 
HETATM 2247 C C7    . LIG_P  P  16 .   ? 4.219   30.147  -0.947  1.00 1.77  1   P  1 
HETATM 2248 C C8    . LIG_P  P  16 .   ? 3.151   30.273  -0.631  1.00 1.77  1   P  1 
HETATM 2249 C C9    . LIG_P  P  16 .   ? 2.059   30.368  -0.462  1.00 1.81  1   P  1 
HETATM 2250 C C10   . LIG_P  P  16 .   ? 0.917   30.464  -0.399  1.00 1.81  1   P  1 
HETATM 2251 C C11   . LIG_P  P  16 .   ? -0.205  30.524  -0.427  1.00 1.68  1   P  1 
HETATM 2252 C C12   . LIG_P  P  16 .   ? -1.348  30.558  -0.523  1.00 1.71  1   P  1 
HETATM 2253 C C13   . LIG_P  P  16 .   ? -2.457  30.544  -0.708  1.00 1.40  1   P  1 
HETATM 2254 C C14   . LIG_P  P  16 .   ? -3.589  30.519  -0.881  1.00 1.38  1   P  1 
HETATM 2255 C C15   . LIG_P  P  16 .   ? -4.677  30.428  -1.170  1.00 1.35  1   P  1 
HETATM 2256 C C16   . LIG_P  P  16 .   ? -5.827  30.411  -1.340  1.00 1.33  1   P  1 
HETATM 2257 C C17   . LIG_P  P  16 .   ? -6.835  30.238  -1.785  1.00 1.25  1   P  1 
HETATM 2258 C C18   . LIG_P  P  16 .   ? -8.107  30.411  -1.639  1.00 1.28  1   P  1 
HETATM 2259 O O1    . LIG_P  P  16 .   ? -8.499  30.977  -0.694  1.00 1.66  1   P  1 
HETATM 2260 O O2    . LIG_P  P  16 .   ? -8.839  29.951  -2.498  1.00 1.54  1   P  1 
HETATM 2261 C C19   . LIG_P  P  16 .   ? -10.140 30.076  -2.314  1.00 1.26  1   P  1 
HETATM 2262 C C20   . LIG_P  P  16 .   ? -10.912 29.320  -3.273  1.00 1.29  1   P  1 
HETATM 2263 C C21   . LIG_P  P  16 .   ? -12.321 29.161  -2.847  1.00 1.30  1   P  1 
HETATM 2264 O O3    . LIG_P  P  16 .   ? -13.035 30.226  -3.084  1.00 1.28  1   P  1 
HETATM 2265 P P1    . LIG_P  P  16 .   ? -14.550 30.147  -3.107  1.00 1.24  1   P  1 
HETATM 2266 O O4    . LIG_P  P  16 .   ? -15.038 31.483  -2.996  1.00 1.20  1   P  1 
HETATM 2267 O O5    . LIG_P  P  16 .   ? -15.011 29.325  -4.112  1.00 1.19  1   P  1 
HETATM 2268 O O6    . LIG_P  P  16 .   ? -14.810 29.421  -1.744  1.00 1.30  1   P  1 
HETATM 2269 C C22   . LIG_P  P  16 .   ? -15.862 28.820  -1.469  1.00 1.27  1   P  1 
HETATM 2270 C C23   . LIG_P  P  16 .   ? -16.030 28.631  -0.117  1.00 1.26  1   P  1 
HETATM 2271 N N1    . LIG_P  P  16 .   ? -17.075 27.884  0.296   1.00 1.78  1   P  1 
HETATM 2272 C C24   . LIG_P  P  16 .   ? -18.236 28.025  -0.480  1.00 1.28  1   P  1 
HETATM 2273 C C25   . LIG_P  P  16 .   ? -17.270 28.133  1.642   1.00 1.32  1   P  1 
HETATM 2274 C C26   . LIG_P  P  16 .   ? -16.726 26.578  0.180   1.00 1.37  1   P  1 
HETATM 2275 O O7    . LIG_P  P  16 .   ? -10.425 28.038  -3.332  1.00 1.42  1   P  1 
HETATM 2276 C C27   . LIG_P  P  16 .   ? -10.119 27.648  -4.476  1.00 1.43  1   P  1 
HETATM 2277 O O8    . LIG_P  P  16 .   ? -10.377 28.268  -5.447  1.00 1.48  1   P  1 
HETATM 2278 C C28   . LIG_P  P  16 .   ? -9.450  26.551  -4.534  1.00 1.34  1   P  1 
HETATM 2279 C C29   . LIG_P  P  16 .   ? -8.611  26.140  -5.126  1.00 1.42  1   P  1 
HETATM 2280 C C30   . LIG_P  P  16 .   ? -7.732  25.614  -5.518  1.00 1.42  1   P  1 
HETATM 2281 C C31   . LIG_P  P  16 .   ? -6.772  25.312  -5.985  1.00 1.38  1   P  1 
HETATM 2282 C C32   . LIG_P  P  16 .   ? -5.783  25.034  -6.374  1.00 1.52  1   P  1 
HETATM 2283 C C33   . LIG_P  P  16 .   ? -4.748  24.875  -6.761  1.00 1.51  1   P  1 
HETATM 2284 C C34   . LIG_P  P  16 .   ? -3.679  24.788  -7.079  1.00 1.54  1   P  1 
HETATM 2285 C C35   . LIG_P  P  16 .   ? -2.583  24.782  -7.356  1.00 1.53  1   P  1 
HETATM 2286 C C36   . LIG_P  P  16 .   ? -1.462  24.834  -7.574  1.00 1.65  1   P  1 
HETATM 2287 C C37   . LIG_P  P  16 .   ? -0.320  24.941  -7.752  1.00 1.67  1   P  1 
HETATM 2288 C C38   . LIG_P  P  16 .   ? 0.836   25.099  -7.870  1.00 1.54  1   P  1 
HETATM 2289 C C39   . LIG_P  P  16 .   ? 2.008   25.311  -7.912  1.00 1.61  1   P  1 
HETATM 2290 C C40   . LIG_P  P  16 .   ? 3.165   25.566  -7.874  1.00 1.83  1   P  1 
HETATM 2291 C C41   . LIG_P  P  16 .   ? 4.320   25.866  -7.806  1.00 1.60  1   P  1 
HETATM 2292 C C42   . LIG_P  P  16 .   ? 5.415   26.169  -7.741  1.00 1.64  1   P  1 
HETATM 2293 C C43   . LIG_P  P  16 .   ? 6.491   26.409  -7.768  1.00 1.42  1   P  1 
HETATM 2294 C C44   . LIG_P  P  16 .   ? 7.679   26.606  -7.961  1.00 1.46  1   P  1 
HETATM 2295 C C1    . LIG_Q  Q  17 .   ? 5.161   16.021  -19.542 1.00 2.03  1   Q  1 
HETATM 2296 C C2    . LIG_Q  Q  17 .   ? 5.362   16.649  -20.465 1.00 2.20  1   Q  1 
HETATM 2297 C C3    . LIG_Q  Q  17 .   ? 4.578   17.050  -21.148 1.00 2.03  1   Q  1 
HETATM 2298 C C4    . LIG_Q  Q  17 .   ? 3.472   17.129  -21.329 1.00 2.41  1   Q  1 
HETATM 2299 C C5    . LIG_Q  Q  17 .   ? 2.348   17.097  -21.403 1.00 2.03  1   Q  1 
HETATM 2300 C C6    . LIG_Q  Q  17 .   ? 1.227   16.960  -21.366 1.00 1.86  1   Q  1 
HETATM 2301 C C7    . LIG_Q  Q  17 .   ? 0.144   16.799  -21.290 1.00 1.73  1   Q  1 
HETATM 2302 C C8    . LIG_Q  Q  17 .   ? -0.942  16.609  -21.178 1.00 1.75  1   Q  1 
HETATM 2303 C C9    . LIG_Q  Q  17 .   ? -2.019  16.456  -21.066 1.00 1.81  1   Q  1 
HETATM 2304 C C10   . LIG_Q  Q  17 .   ? -3.149  16.320  -20.951 1.00 1.80  1   Q  1 
HETATM 2305 C C11   . LIG_Q  Q  17 .   ? -4.242  16.208  -20.851 1.00 1.71  1   Q  1 
HETATM 2306 C C12   . LIG_Q  Q  17 .   ? -5.364  16.095  -20.705 1.00 1.67  1   Q  1 
HETATM 2307 C C13   . LIG_Q  Q  17 .   ? -6.459  16.008  -20.573 1.00 1.38  1   Q  1 
HETATM 2308 C C14   . LIG_Q  Q  17 .   ? -7.587  15.900  -20.443 1.00 1.36  1   Q  1 
HETATM 2309 C C15   . LIG_Q  Q  17 .   ? -8.661  15.850  -20.349 1.00 1.32  1   Q  1 
HETATM 2310 C C16   . LIG_Q  Q  17 .   ? -9.815  15.751  -20.277 1.00 1.33  1   Q  1 
HETATM 2311 C C17   . LIG_Q  Q  17 .   ? -10.835 15.726  -20.277 1.00 1.27  1   Q  1 
HETATM 2312 C C18   . LIG_Q  Q  17 .   ? -12.091 15.552  -20.202 1.00 1.29  1   Q  1 
HETATM 2313 O O1    . LIG_Q  Q  17 .   ? -12.857 16.393  -20.466 1.00 1.70  1   Q  1 
HETATM 2314 O O2    . LIG_Q  Q  17 .   ? -12.384 14.435  -19.827 1.00 1.56  1   Q  1 
HETATM 2315 C C19   . LIG_Q  Q  17 .   ? -13.642 14.142  -19.690 1.00 1.24  1   Q  1 
HETATM 2316 C C20   . LIG_Q  Q  17 .   ? -13.841 12.822  -19.104 1.00 1.25  1   Q  1 
HETATM 2317 C C21   . LIG_Q  Q  17 .   ? -15.277 12.505  -19.028 1.00 1.28  1   Q  1 
HETATM 2318 O O3    . LIG_Q  Q  17 .   ? -15.857 12.979  -20.129 1.00 1.28  1   Q  1 
HETATM 2319 P P1    . LIG_Q  Q  17 .   ? -17.115 12.354  -20.748 1.00 1.22  1   Q  1 
HETATM 2320 O O4    . LIG_Q  Q  17 .   ? -17.368 13.051  -21.947 1.00 1.19  1   Q  1 
HETATM 2321 O O5    . LIG_Q  Q  17 .   ? -17.057 10.975  -20.761 1.00 1.17  1   Q  1 
HETATM 2322 O O6    . LIG_Q  Q  17 .   ? -18.141 12.757  -19.652 1.00 1.28  1   Q  1 
HETATM 2323 C C22   . LIG_Q  Q  17 .   ? -18.826 13.789  -19.714 1.00 1.26  1   Q  1 
HETATM 2324 C C23   . LIG_Q  Q  17 .   ? -19.797 13.898  -18.726 1.00 1.25  1   Q  1 
HETATM 2325 N N1    . LIG_Q  Q  17 .   ? -20.198 15.184  -18.462 1.00 1.78  1   Q  1 
HETATM 2326 C C24   . LIG_Q  Q  17 .   ? -19.069 16.001  -18.297 1.00 1.30  1   Q  1 
HETATM 2327 C C25   . LIG_Q  Q  17 .   ? -20.949 15.135  -17.293 1.00 1.30  1   Q  1 
HETATM 2328 C C26   . LIG_Q  Q  17 .   ? -20.978 15.683  -19.530 1.00 1.34  1   Q  1 
HETATM 2329 O O7    . LIG_Q  Q  17 .   ? -13.325 12.853  -17.824 1.00 1.43  1   Q  1 
HETATM 2330 C C27   . LIG_Q  Q  17 .   ? -12.292 12.139  -17.685 1.00 1.42  1   Q  1 
HETATM 2331 O O8    . LIG_Q  Q  17 .   ? -12.003 11.309  -18.491 1.00 1.46  1   Q  1 
HETATM 2332 C C28   . LIG_Q  Q  17 .   ? -11.503 12.399  -16.684 1.00 1.33  1   Q  1 
HETATM 2333 C C29   . LIG_Q  Q  17 .   ? -10.332 12.392  -16.644 1.00 1.44  1   Q  1 
HETATM 2334 C C30   . LIG_Q  Q  17 .   ? -9.246  12.538  -16.589 1.00 1.44  1   Q  1 
HETATM 2335 C C31   . LIG_Q  Q  17 .   ? -8.121  12.656  -16.649 1.00 1.40  1   Q  1 
HETATM 2336 C C32   . LIG_Q  Q  17 .   ? -7.045  12.812  -16.716 1.00 1.56  1   Q  1 
HETATM 2337 C C33   . LIG_Q  Q  17 .   ? -5.937  12.979  -16.811 1.00 1.49  1   Q  1 
HETATM 2338 C C34   . LIG_Q  Q  17 .   ? -4.834  13.150  -16.914 1.00 1.53  1   Q  1 
HETATM 2339 C C35   . LIG_Q  Q  17 .   ? -3.729  13.340  -17.029 1.00 1.54  1   Q  1 
HETATM 2340 C C36   . LIG_Q  Q  17 .   ? -2.621  13.535  -17.140 1.00 1.66  1   Q  1 
HETATM 2341 C C37   . LIG_Q  Q  17 .   ? -1.506  13.720  -17.241 1.00 1.65  1   Q  1 
HETATM 2342 C C38   . LIG_Q  Q  17 .   ? -0.379  13.898  -17.320 1.00 1.54  1   Q  1 
HETATM 2343 C C39   . LIG_Q  Q  17 .   ? 0.764   14.081  -17.393 1.00 1.60  1   Q  1 
HETATM 2344 C C40   . LIG_Q  Q  17 .   ? 1.888   14.273  -17.466 1.00 1.87  1   Q  1 
HETATM 2345 C C41   . LIG_Q  Q  17 .   ? 3.012   14.471  -17.515 1.00 1.57  1   Q  1 
HETATM 2346 C C42   . LIG_Q  Q  17 .   ? 4.087   14.689  -17.538 1.00 1.55  1   Q  1 
HETATM 2347 C C43   . LIG_Q  Q  17 .   ? 5.143   14.859  -17.427 1.00 1.37  1   Q  1 
HETATM 2348 C C44   . LIG_Q  Q  17 .   ? 6.307   14.981  -17.219 1.00 1.45  1   Q  1 
HETATM 2349 C C1    . LIG_R  R  18 .   ? 6.406   18.345  -2.521  1.00 1.87  1   R  1 
HETATM 2350 C C2    . LIG_R  R  18 .   ? 6.429   19.298  -2.524  1.00 1.93  1   R  1 
HETATM 2351 C C3    . LIG_R  R  18 .   ? 5.580   19.947  -2.445  1.00 1.81  1   R  1 
HETATM 2352 C C4    . LIG_R  R  18 .   ? 4.544   20.162  -2.268  1.00 2.13  1   R  1 
HETATM 2353 C C5    . LIG_R  R  18 .   ? 3.478   20.276  -2.083  1.00 1.95  1   R  1 
HETATM 2354 C C6    . LIG_R  R  18 .   ? 2.401   20.195  -1.896  1.00 1.83  1   R  1 
HETATM 2355 C C7    . LIG_R  R  18 .   ? 1.359   20.033  -1.688  1.00 1.71  1   R  1 
HETATM 2356 C C8    . LIG_R  R  18 .   ? 0.331   19.806  -1.447  1.00 1.72  1   R  1 
HETATM 2357 C C9    . LIG_R  R  18 .   ? -0.647  19.517  -1.112  1.00 1.79  1   R  1 
HETATM 2358 C C10   . LIG_R  R  18 .   ? -1.643  19.143  -0.738  1.00 1.87  1   R  1 
HETATM 2359 C C11   . LIG_R  R  18 .   ? -2.569  18.724  -0.304  1.00 1.74  1   R  1 
HETATM 2360 C C12   . LIG_R  R  18 .   ? -3.513  18.246  0.105   1.00 1.75  1   R  1 
HETATM 2361 C C13   . LIG_R  R  18 .   ? -4.431  17.765  0.505   1.00 1.41  1   R  1 
HETATM 2362 C C14   . LIG_R  R  18 .   ? -5.392  17.240  0.825   1.00 1.42  1   R  1 
HETATM 2363 C C15   . LIG_R  R  18 .   ? -6.356  16.784  1.074   1.00 1.35  1   R  1 
HETATM 2364 C C16   . LIG_R  R  18 .   ? -7.354  16.201  1.267   1.00 1.39  1   R  1 
HETATM 2365 C C17   . LIG_R  R  18 .   ? -8.359  15.862  1.266   1.00 1.28  1   R  1 
HETATM 2366 C C18   . LIG_R  R  18 .   ? -9.355  15.059  1.433   1.00 1.32  1   R  1 
HETATM 2367 O O1    . LIG_R  R  18 .   ? -9.296  14.159  2.147   1.00 1.83  1   R  1 
HETATM 2368 O O2    . LIG_R  R  18 .   ? -10.318 15.321  0.756   1.00 1.62  1   R  1 
HETATM 2369 C C19   . LIG_R  R  18 .   ? -11.361 14.528  0.761   1.00 1.25  1   R  1 
HETATM 2370 C C20   . LIG_R  R  18 .   ? -12.371 15.041  -0.164  1.00 1.26  1   R  1 
HETATM 2371 C C21   . LIG_R  R  18 .   ? -13.446 14.069  -0.378  1.00 1.29  1   R  1 
HETATM 2372 O O3    . LIG_R  R  18 .   ? -14.194 14.023  0.697   1.00 1.30  1   R  1 
HETATM 2373 P P1    . LIG_R  R  18 .   ? -15.501 13.225  0.674   1.00 1.21  1   R  1 
HETATM 2374 O O4    . LIG_R  R  18 .   ? -16.227 13.542  -0.496  1.00 1.18  1   R  1 
HETATM 2375 O O5    . LIG_R  R  18 .   ? -15.260 11.899  1.013   1.00 1.18  1   R  1 
HETATM 2376 O O6    . LIG_R  R  18 .   ? -16.101 13.912  1.900   1.00 1.30  1   R  1 
HETATM 2377 C C22   . LIG_R  R  18 .   ? -17.120 14.615  1.878   1.00 1.27  1   R  1 
HETATM 2378 C C23   . LIG_R  R  18 .   ? -17.623 14.743  3.143   1.00 1.25  1   R  1 
HETATM 2379 N N1    . LIG_R  R  18 .   ? -18.976 14.858  3.261   1.00 1.71  1   R  1 
HETATM 2380 C C24   . LIG_R  R  18 .   ? -19.382 16.143  2.827   1.00 1.25  1   R  1 
HETATM 2381 C C25   . LIG_R  R  18 .   ? -19.271 14.662  4.613   1.00 1.29  1   R  1 
HETATM 2382 C C26   . LIG_R  R  18 .   ? -19.625 13.867  2.483   1.00 1.31  1   R  1 
HETATM 2383 O O7    . LIG_R  R  18 .   ? -11.792 15.221  -1.417  1.00 1.45  1   R  1 
HETATM 2384 C C27   . LIG_R  R  18 .   ? -11.727 16.405  -1.830  1.00 1.46  1   R  1 
HETATM 2385 O O8    . LIG_R  R  18 .   ? -12.408 17.261  -1.398  1.00 1.49  1   R  1 
HETATM 2386 C C28   . LIG_R  R  18 .   ? -10.779 16.590  -2.691  1.00 1.37  1   R  1 
HETATM 2387 C C29   . LIG_R  R  18 .   ? -9.674  16.776  -2.704  1.00 1.50  1   R  1 
HETATM 2388 C C30   . LIG_R  R  18 .   ? -8.581  16.923  -2.910  1.00 1.50  1   R  1 
HETATM 2389 C C31   . LIG_R  R  18 .   ? -7.469  16.992  -2.945  1.00 1.44  1   R  1 
HETATM 2390 C C32   . LIG_R  R  18 .   ? -6.375  16.989  -3.074  1.00 1.61  1   R  1 
HETATM 2391 C C33   . LIG_R  R  18 .   ? -5.264  16.944  -3.149  1.00 1.54  1   R  1 
HETATM 2392 C C34   . LIG_R  R  18 .   ? -4.140  16.861  -3.238  1.00 1.58  1   R  1 
HETATM 2393 C C35   . LIG_R  R  18 .   ? -3.016  16.762  -3.278  1.00 1.54  1   R  1 
HETATM 2394 C C36   . LIG_R  R  18 .   ? -1.881  16.645  -3.263  1.00 1.71  1   R  1 
HETATM 2395 C C37   . LIG_R  R  18 .   ? -0.752  16.528  -3.202  1.00 1.70  1   R  1 
HETATM 2396 C C38   . LIG_R  R  18 .   ? 0.395   16.448  -3.099  1.00 1.53  1   R  1 
HETATM 2397 C C39   . LIG_R  R  18 .   ? 1.544   16.408  -2.982  1.00 1.59  1   R  1 
HETATM 2398 C C40   . LIG_R  R  18 .   ? 2.685   16.414  -2.882  1.00 1.79  1   R  1 
HETATM 2399 C C41   . LIG_R  R  18 .   ? 3.819   16.454  -2.800  1.00 1.45  1   R  1 
HETATM 2400 C C42   . LIG_R  R  18 .   ? 4.909   16.519  -2.725  1.00 1.43  1   R  1 
HETATM 2401 C C43   . LIG_R  R  18 .   ? 5.986   16.550  -2.641  1.00 1.32  1   R  1 
HETATM 2402 C C44   . LIG_R  R  18 .   ? 7.193   16.506  -2.560  1.00 1.36  1   R  1 
HETATM 2403 C C1    . LIG_S  S  19 .   ? 8.397   9.779   -18.439 1.00 2.00  1   S  1 
HETATM 2404 C C2    . LIG_S  S  19 .   ? 7.828   10.348  -17.863 1.00 2.14  1   S  1 
HETATM 2405 C C3    . LIG_S  S  19 .   ? 6.898   10.565  -17.296 1.00 1.99  1   S  1 
HETATM 2406 C C4    . LIG_S  S  19 .   ? 5.991   10.582  -16.686 1.00 2.32  1   S  1 
HETATM 2407 C C5    . LIG_S  S  19 .   ? 5.062   10.501  -16.093 1.00 1.99  1   S  1 
HETATM 2408 C C6    . LIG_S  S  19 .   ? 4.131   10.282  -15.503 1.00 1.77  1   S  1 
HETATM 2409 C C7    . LIG_S  S  19 .   ? 3.260   9.951   -14.914 1.00 1.68  1   S  1 
HETATM 2410 C C8    . LIG_S  S  19 .   ? 2.441   9.493   -14.337 1.00 1.67  1   S  1 
HETATM 2411 C C9    . LIG_S  S  19 .   ? 1.665   8.941   -13.806 1.00 1.82  1   S  1 
HETATM 2412 C C10   . LIG_S  S  19 .   ? 0.873   8.319   -13.283 1.00 1.85  1   S  1 
HETATM 2413 C C11   . LIG_S  S  19 .   ? 0.114   7.663   -12.825 1.00 1.73  1   S  1 
HETATM 2414 C C12   . LIG_S  S  19 .   ? -0.697  6.998   -12.432 1.00 1.76  1   S  1 
HETATM 2415 C C13   . LIG_S  S  19 .   ? -1.499  6.347   -12.033 1.00 1.43  1   S  1 
HETATM 2416 C C14   . LIG_S  S  19 .   ? -2.356  5.698   -11.735 1.00 1.43  1   S  1 
HETATM 2417 C C15   . LIG_S  S  19 .   ? -3.195  5.113   -11.373 1.00 1.42  1   S  1 
HETATM 2418 C C16   . LIG_S  S  19 .   ? -4.104  4.446   -11.214 1.00 1.45  1   S  1 
HETATM 2419 C C17   . LIG_S  S  19 .   ? -4.869  3.749   -10.861 1.00 1.27  1   S  1 
HETATM 2420 C C18   . LIG_S  S  19 .   ? -5.762  2.907   -11.236 1.00 1.35  1   S  1 
HETATM 2421 O O1    . LIG_S  S  19 .   ? -5.893  1.865   -10.728 1.00 1.83  1   S  1 
HETATM 2422 O O2    . LIG_S  S  19 .   ? -6.378  3.290   -12.198 1.00 1.63  1   S  1 
HETATM 2423 C C19   . LIG_S  S  19 .   ? -7.214  2.462   -12.749 1.00 1.26  1   S  1 
HETATM 2424 C C20   . LIG_S  S  19 .   ? -7.828  3.079   -13.893 1.00 1.30  1   S  1 
HETATM 2425 C C21   . LIG_S  S  19 .   ? -8.918  2.199   -14.356 1.00 1.29  1   S  1 
HETATM 2426 O O3    . LIG_S  S  19 .   ? -9.710  2.886   -15.152 1.00 1.29  1   S  1 
HETATM 2427 P P1    . LIG_S  S  19 .   ? -11.164 3.253   -14.868 1.00 1.25  1   S  1 
HETATM 2428 O O4    . LIG_S  S  19 .   ? -11.798 3.144   -16.142 1.00 1.19  1   S  1 
HETATM 2429 O O5    . LIG_S  S  19 .   ? -11.248 4.437   -14.158 1.00 1.19  1   S  1 
HETATM 2430 O O6    . LIG_S  S  19 .   ? -11.620 2.086   -13.987 1.00 1.30  1   S  1 
HETATM 2431 C C22   . LIG_S  S  19 .   ? -12.698 1.480   -14.176 1.00 1.30  1   S  1 
HETATM 2432 C C23   . LIG_S  S  19 .   ? -13.632 1.639   -13.166 1.00 1.26  1   S  1 
HETATM 2433 N N1    . LIG_S  S  19 .   ? -14.850 1.030   -13.394 1.00 1.73  1   S  1 
HETATM 2434 C C24   . LIG_S  S  19 .   ? -15.663 1.266   -12.267 1.00 1.24  1   S  1 
HETATM 2435 C C25   . LIG_S  S  19 .   ? -15.458 1.568   -14.559 1.00 1.31  1   S  1 
HETATM 2436 C C26   . LIG_S  S  19 .   ? -14.664 -0.364  -13.556 1.00 1.31  1   S  1 
HETATM 2437 O O7    . LIG_S  S  19 .   ? -6.868  3.219   -14.878 1.00 1.48  1   S  1 
HETATM 2438 C C27   . LIG_S  S  19 .   ? -6.585  4.422   -15.177 1.00 1.49  1   S  1 
HETATM 2439 O O8    . LIG_S  S  19 .   ? -7.326  5.318   -14.901 1.00 1.50  1   S  1 
HETATM 2440 C C28   . LIG_S  S  19 .   ? -5.457  4.633   -15.746 1.00 1.35  1   S  1 
HETATM 2441 C C29   . LIG_S  S  19 .   ? -4.729  5.505   -15.864 1.00 1.45  1   S  1 
HETATM 2442 C C30   . LIG_S  S  19 .   ? -3.806  6.045   -16.148 1.00 1.46  1   S  1 
HETATM 2443 C C31   . LIG_S  S  19 .   ? -2.909  6.645   -16.391 1.00 1.41  1   S  1 
HETATM 2444 C C32   . LIG_S  S  19 .   ? -1.959  7.103   -16.729 1.00 1.55  1   S  1 
HETATM 2445 C C33   . LIG_S  S  19 .   ? -0.989  7.474   -17.092 1.00 1.49  1   S  1 
HETATM 2446 C C34   . LIG_S  S  19 .   ? 0.026   7.678   -17.506 1.00 1.52  1   S  1 
HETATM 2447 C C35   . LIG_S  S  19 .   ? 1.044   7.748   -17.943 1.00 1.52  1   S  1 
HETATM 2448 C C36   . LIG_S  S  19 .   ? 2.053   7.704   -18.408 1.00 1.63  1   S  1 
HETATM 2449 C C37   . LIG_S  S  19 .   ? 3.054   7.637   -18.883 1.00 1.67  1   S  1 
HETATM 2450 C C38   . LIG_S  S  19 .   ? 4.080   7.604   -19.319 1.00 1.54  1   S  1 
HETATM 2451 C C39   . LIG_S  S  19 .   ? 5.135   7.633   -19.692 1.00 1.65  1   S  1 
HETATM 2452 C C40   . LIG_S  S  19 .   ? 6.207   7.801   -19.898 1.00 1.81  1   S  1 
HETATM 2453 C C41   . LIG_S  S  19 .   ? 7.278   8.043   -20.030 1.00 1.53  1   S  1 
HETATM 2454 C C42   . LIG_S  S  19 .   ? 8.312   8.325   -20.093 1.00 1.58  1   S  1 
HETATM 2455 C C43   . LIG_S  S  19 .   ? 9.360   8.555   -20.201 1.00 1.35  1   S  1 
HETATM 2456 C C44   . LIG_S  S  19 .   ? 10.486  8.764   -20.355 1.00 1.41  1   S  1 
HETATM 2457 C C1    . LIG_T  T  20 .   ? 11.953  10.613  6.012   1.00 1.90  1   T  1 
HETATM 2458 C C2    . LIG_T  T  20 .   ? 12.906  10.678  5.691   1.00 2.02  1   T  1 
HETATM 2459 C C3    . LIG_T  T  20 .   ? 13.771  10.138  6.045   1.00 1.93  1   T  1 
HETATM 2460 C C4    . LIG_T  T  20 .   ? 14.313  9.436   6.658   1.00 2.36  1   T  1 
HETATM 2461 C C5    . LIG_T  T  20 .   ? 14.793  8.692   7.316   1.00 2.13  1   T  1 
HETATM 2462 C C6    . LIG_T  T  20 .   ? 15.116  7.923   8.037   1.00 2.01  1   T  1 
HETATM 2463 C C7    . LIG_T  T  20 .   ? 15.386  7.168   8.771   1.00 1.88  1   T  1 
HETATM 2464 C C8    . LIG_T  T  20 .   ? 15.594  6.421   9.540   1.00 2.01  1   T  1 
HETATM 2465 C C9    . LIG_T  T  20 .   ? 15.786  5.676   10.292  1.00 2.09  1   T  1 
HETATM 2466 C C10   . LIG_T  T  20 .   ? 15.970  4.910   11.098  1.00 2.21  1   T  1 
HETATM 2467 C C11   . LIG_T  T  20 .   ? 16.147  4.192   11.896  1.00 2.07  1   T  1 
HETATM 2468 C C12   . LIG_T  T  20 .   ? 16.305  3.476   12.736  1.00 2.23  1   T  1 
HETATM 2469 C C13   . LIG_T  T  20 .   ? 16.418  2.823   13.603  1.00 1.78  1   T  1 
HETATM 2470 C C14   . LIG_T  T  20 .   ? 16.541  2.208   14.535  1.00 1.77  1   T  1 
HETATM 2471 C C15   . LIG_T  T  20 .   ? 16.593  1.691   15.485  1.00 1.68  1   T  1 
HETATM 2472 C C16   . LIG_T  T  20 .   ? 16.705  1.142   16.498  1.00 1.64  1   T  1 
HETATM 2473 C C17   . LIG_T  T  20 .   ? 16.553  0.806   17.477  1.00 1.45  1   T  1 
HETATM 2474 C C18   . LIG_T  T  20 .   ? 16.813  0.155   18.560  1.00 1.55  1   T  1 
HETATM 2475 O O1    . LIG_T  T  20 .   ? 17.768  -0.499  18.686  1.00 2.58  1   T  1 
HETATM 2476 O O2    . LIG_T  T  20 .   ? 15.973  0.318   19.397  1.00 2.15  1   T  1 
HETATM 2477 C C19   . LIG_T  T  20 .   ? 16.042  -0.359  20.536  1.00 1.48  1   T  1 
HETATM 2478 C C20   . LIG_T  T  20 .   ? 14.752  -0.272  21.167  1.00 1.44  1   T  1 
HETATM 2479 C C21   . LIG_T  T  20 .   ? 14.640  -0.993  22.451  1.00 1.63  1   T  1 
HETATM 2480 O O3    . LIG_T  T  20 .   ? 15.536  -1.960  22.578  1.00 1.58  1   T  1 
HETATM 2481 P P1    . LIG_T  T  20 .   ? 15.283  -3.154  23.565  1.00 1.65  1   T  1 
HETATM 2482 O O4    . LIG_T  T  20 .   ? 13.991  -3.006  24.172  1.00 1.29  1   T  1 
HETATM 2483 O O5    . LIG_T  T  20 .   ? 16.382  -3.347  24.375  1.00 1.32  1   T  1 
HETATM 2484 O O6    . LIG_T  T  20 .   ? 15.077  -4.288  22.550  1.00 1.74  1   T  1 
HETATM 2485 C C22   . LIG_T  T  20 .   ? 15.971  -4.995  22.095  1.00 1.82  1   T  1 
HETATM 2486 C C23   . LIG_T  T  20 .   ? 15.517  -6.085  21.362  1.00 1.79  1   T  1 
HETATM 2487 N N1    . LIG_T  T  20 .   ? 16.438  -6.730  20.600  1.00 2.71  1   T  1 
HETATM 2488 C C24   . LIG_T  T  20 .   ? 17.611  -7.028  21.345  1.00 1.69  1   T  1 
HETATM 2489 C C25   . LIG_T  T  20 .   ? 16.774  -5.910  19.516  1.00 1.88  1   T  1 
HETATM 2490 C C26   . LIG_T  T  20 .   ? 15.849  -7.925  20.165  1.00 1.93  1   T  1 
HETATM 2491 O O7    . LIG_T  T  20 .   ? 13.848  -0.853  20.294  1.00 1.87  1   T  1 
HETATM 2492 C C27   . LIG_T  T  20 .   ? 12.787  -0.220  20.144  1.00 1.72  1   T  1 
HETATM 2493 O O8    . LIG_T  T  20 .   ? 12.340  0.490   20.970  1.00 1.67  1   T  1 
HETATM 2494 C C28   . LIG_T  T  20 .   ? 12.261  -0.351  18.970  1.00 1.69  1   T  1 
HETATM 2495 C C29   . LIG_T  T  20 .   ? 11.987  0.294   18.122  1.00 1.79  1   T  1 
HETATM 2496 C C30   . LIG_T  T  20 .   ? 11.830  0.736   17.137  1.00 1.82  1   T  1 
HETATM 2497 C C31   . LIG_T  T  20 .   ? 11.748  1.241   16.186  1.00 1.75  1   T  1 
HETATM 2498 C C32   . LIG_T  T  20 .   ? 11.675  1.717   15.220  1.00 1.95  1   T  1 
HETATM 2499 C C33   . LIG_T  T  20 .   ? 11.612  2.223   14.261  1.00 1.89  1   T  1 
HETATM 2500 C C34   . LIG_T  T  20 .   ? 11.539  2.784   13.322  1.00 1.87  1   T  1 
HETATM 2501 C C35   . LIG_T  T  20 .   ? 11.452  3.418   12.448  1.00 1.74  1   T  1 
HETATM 2502 C C36   . LIG_T  T  20 .   ? 11.331  4.134   11.619  1.00 1.85  1   T  1 
HETATM 2503 C C37   . LIG_T  T  20 .   ? 11.168  4.926   10.865  1.00 1.84  1   T  1 
HETATM 2504 C C38   . LIG_T  T  20 .   ? 10.969  5.763   10.151  1.00 1.64  1   T  1 
HETATM 2505 C C39   . LIG_T  T  20 .   ? 10.750  6.625   9.464   1.00 1.67  1   T  1 
HETATM 2506 C C40   . LIG_T  T  20 .   ? 10.559  7.490   8.781   1.00 1.87  1   T  1 
HETATM 2507 C C41   . LIG_T  T  20 .   ? 10.399  8.351   8.081   1.00 1.58  1   T  1 
HETATM 2508 C C42   . LIG_T  T  20 .   ? 10.249  9.158   7.381   1.00 1.50  1   T  1 
HETATM 2509 C C43   . LIG_T  T  20 .   ? 10.057  9.949   6.682   1.00 1.35  1   T  1 
HETATM 2510 C C44   . LIG_T  T  20 .   ? 9.772   10.814  5.904   1.00 1.37  1   T  1 
HETATM 2511 C C1    . LIG_U  U  21 .   ? 9.056   16.685  -26.516 1.00 2.02  1   U  1 
HETATM 2512 C C2    . LIG_U  U  21 .   ? 8.482   17.616  -26.603 1.00 2.34  1   U  1 
HETATM 2513 C C3    . LIG_U  U  21 .   ? 7.378   17.871  -26.769 1.00 2.21  1   U  1 
HETATM 2514 C C4    . LIG_U  U  21 .   ? 6.287   17.615  -26.953 1.00 2.59  1   U  1 
HETATM 2515 C C5    . LIG_U  U  21 .   ? 5.215   17.246  -27.133 1.00 2.08  1   U  1 
HETATM 2516 C C6    . LIG_U  U  21 .   ? 4.186   16.729  -27.311 1.00 1.87  1   U  1 
HETATM 2517 C C7    . LIG_U  U  21 .   ? 3.192   16.204  -27.450 1.00 1.78  1   U  1 
HETATM 2518 C C8    . LIG_U  U  21 .   ? 2.210   15.648  -27.592 1.00 1.76  1   U  1 
HETATM 2519 C C9    . LIG_U  U  21 .   ? 1.247   15.085  -27.690 1.00 1.75  1   U  1 
HETATM 2520 C C10   . LIG_U  U  21 .   ? 0.247   14.490  -27.756 1.00 1.77  1   U  1 
HETATM 2521 C C11   . LIG_U  U  21 .   ? -0.727  13.916  -27.775 1.00 1.68  1   U  1 
HETATM 2522 C C12   . LIG_U  U  21 .   ? -1.728  13.338  -27.756 1.00 1.65  1   U  1 
HETATM 2523 C C13   . LIG_U  U  21 .   ? -2.709  12.782  -27.715 1.00 1.37  1   U  1 
HETATM 2524 C C14   . LIG_U  U  21 .   ? -3.717  12.219  -27.624 1.00 1.36  1   U  1 
HETATM 2525 C C15   . LIG_U  U  21 .   ? -4.678  11.668  -27.557 1.00 1.31  1   U  1 
HETATM 2526 C C16   . LIG_U  U  21 .   ? -5.706  11.102  -27.435 1.00 1.31  1   U  1 
HETATM 2527 C C17   . LIG_U  U  21 .   ? -6.593  10.521  -27.379 1.00 1.25  1   U  1 
HETATM 2528 C C18   . LIG_U  U  21 .   ? -7.744  9.977   -27.138 1.00 1.28  1   U  1 
HETATM 2529 O O1    . LIG_U  U  21 .   ? -8.738  10.589  -27.084 1.00 1.67  1   U  1 
HETATM 2530 O O2    . LIG_U  U  21 .   ? -7.671  8.771   -26.946 1.00 1.52  1   U  1 
HETATM 2531 C C19   . LIG_U  U  21 .   ? -8.730  8.120   -26.513 1.00 1.25  1   U  1 
HETATM 2532 C C20   . LIG_U  U  21 .   ? -8.352  6.929   -25.755 1.00 1.26  1   U  1 
HETATM 2533 C C21   . LIG_U  U  21 .   ? -9.519  6.359   -25.045 1.00 1.28  1   U  1 
HETATM 2534 O O3    . LIG_U  U  21 .   ? -10.315 5.768   -25.932 1.00 1.31  1   U  1 
HETATM 2535 P P1    . LIG_U  U  21 .   ? -11.647 5.132   -25.524 1.00 1.24  1   U  1 
HETATM 2536 O O4    . LIG_U  U  21 .   ? -11.573 4.656   -24.202 1.00 1.19  1   U  1 
HETATM 2537 O O5    . LIG_U  U  21 .   ? -12.078 4.275   -26.561 1.00 1.15  1   U  1 
HETATM 2538 O O6    . LIG_U  U  21 .   ? -12.523 6.403   -25.582 1.00 1.28  1   U  1 
HETATM 2539 C C22   . LIG_U  U  21 .   ? -13.293 6.827   -24.715 1.00 1.28  1   U  1 
HETATM 2540 C C23   . LIG_U  U  21 .   ? -14.068 7.873   -25.131 1.00 1.27  1   U  1 
HETATM 2541 N N1    . LIG_U  U  21 .   ? -14.634 8.652   -24.159 1.00 1.81  1   U  1 
HETATM 2542 C C24   . LIG_U  U  21 .   ? -13.837 9.796   -24.001 1.00 1.32  1   U  1 
HETATM 2543 C C25   . LIG_U  U  21 .   ? -15.911 9.019   -24.600 1.00 1.35  1   U  1 
HETATM 2544 C C26   . LIG_U  U  21 .   ? -14.726 7.977   -22.930 1.00 1.37  1   U  1 
HETATM 2545 O O7    . LIG_U  U  21 .   ? -7.428  7.302   -24.796 1.00 1.44  1   U  1 
HETATM 2546 C C27   . LIG_U  U  21 .   ? -6.276  6.814   -24.972 1.00 1.44  1   U  1 
HETATM 2547 O O8    . LIG_U  U  21 .   ? -6.107  5.834   -25.611 1.00 1.47  1   U  1 
HETATM 2548 C C28   . LIG_U  U  21 .   ? -5.274  7.464   -24.470 1.00 1.32  1   U  1 
HETATM 2549 C C29   . LIG_U  U  21 .   ? -4.208  7.718   -24.806 1.00 1.41  1   U  1 
HETATM 2550 C C30   . LIG_U  U  21 .   ? -3.176  8.135   -24.972 1.00 1.40  1   U  1 
HETATM 2551 C C31   . LIG_U  U  21 .   ? -2.139  8.486   -25.279 1.00 1.40  1   U  1 
HETATM 2552 C C32   . LIG_U  U  21 .   ? -1.107  8.867   -25.477 1.00 1.55  1   U  1 
HETATM 2553 C C33   . LIG_U  U  21 .   ? -0.057  9.238   -25.705 1.00 1.50  1   U  1 
HETATM 2554 C C34   . LIG_U  U  21 .   ? 0.999   9.611   -25.859 1.00 1.50  1   U  1 
HETATM 2555 C C35   . LIG_U  U  21 .   ? 2.069   9.993   -25.995 1.00 1.54  1   U  1 
HETATM 2556 C C36   . LIG_U  U  21 .   ? 3.122   10.416  -26.084 1.00 1.63  1   U  1 
HETATM 2557 C C37   . LIG_U  U  21 .   ? 4.181   10.867  -26.159 1.00 1.65  1   U  1 
HETATM 2558 C C38   . LIG_U  U  21 .   ? 5.235   11.362  -26.209 1.00 1.53  1   U  1 
HETATM 2559 C C39   . LIG_U  U  21 .   ? 6.290   11.895  -26.246 1.00 1.65  1   U  1 
HETATM 2560 C C40   . LIG_U  U  21 .   ? 7.300   12.480  -26.272 1.00 1.95  1   U  1 
HETATM 2561 C C41   . LIG_U  U  21 .   ? 8.286   13.096  -26.286 1.00 1.70  1   U  1 
HETATM 2562 C C42   . LIG_U  U  21 .   ? 9.210   13.721  -26.288 1.00 1.72  1   U  1 
HETATM 2563 C C43   . LIG_U  U  21 .   ? 10.153  14.311  -26.281 1.00 1.43  1   U  1 
HETATM 2564 C C44   . LIG_U  U  21 .   ? 11.228  14.876  -26.253 1.00 1.51  1   U  1 
HETATM 2565 C C1    . LIG_V  V  22 .   ? 12.441  20.915  2.183   1.00 1.80  1   V  1 
HETATM 2566 C C2    . LIG_V  V  22 .   ? 12.876  21.653  2.841   1.00 2.11  1   V  1 
HETATM 2567 C C3    . LIG_V  V  22 .   ? 13.287  22.101  3.784   1.00 1.93  1   V  1 
HETATM 2568 C C4    . LIG_V  V  22 .   ? 13.651  22.416  4.804   1.00 2.23  1   V  1 
HETATM 2569 C C5    . LIG_V  V  22 .   ? 13.990  22.626  5.859   1.00 1.96  1   V  1 
HETATM 2570 C C6    . LIG_V  V  22 .   ? 14.287  22.591  6.935   1.00 1.76  1   V  1 
HETATM 2571 C C7    . LIG_V  V  22 .   ? 14.561  22.256  7.923   1.00 1.71  1   V  1 
HETATM 2572 C C8    . LIG_V  V  22 .   ? 14.892  21.580  8.704   1.00 1.68  1   V  1 
HETATM 2573 C C9    . LIG_V  V  22 .   ? 15.276  20.710  9.210   1.00 1.73  1   V  1 
HETATM 2574 C C10   . LIG_V  V  22 .   ? 15.712  19.770  9.612   1.00 1.75  1   V  1 
HETATM 2575 C C11   . LIG_V  V  22 .   ? 16.184  18.838  9.901   1.00 1.57  1   V  1 
HETATM 2576 C C12   . LIG_V  V  22 .   ? 16.759  17.930  10.166  1.00 1.60  1   V  1 
HETATM 2577 C C13   . LIG_V  V  22 .   ? 17.382  17.043  10.333  1.00 1.36  1   V  1 
HETATM 2578 C C14   . LIG_V  V  22 .   ? 18.129  16.241  10.566  1.00 1.33  1   V  1 
HETATM 2579 C C15   . LIG_V  V  22 .   ? 18.908  15.470  10.655  1.00 1.35  1   V  1 
HETATM 2580 C C16   . LIG_V  V  22 .   ? 19.790  14.806  10.933  1.00 1.29  1   V  1 
HETATM 2581 C C17   . LIG_V  V  22 .   ? 20.626  14.129  10.935  1.00 1.20  1   V  1 
HETATM 2582 C C18   . LIG_V  V  22 .   ? 21.733  13.775  11.479  1.00 1.26  1   V  1 
HETATM 2583 O O1    . LIG_V  V  22 .   ? 21.942  14.014  12.593  1.00 1.69  1   V  1 
HETATM 2584 O O2    . LIG_V  V  22 .   ? 22.503  13.225  10.738  1.00 1.52  1   V  1 
HETATM 2585 C C19   . LIG_V  V  22 .   ? 23.771  13.094  11.093  1.00 1.21  1   V  1 
HETATM 2586 C C20   . LIG_V  V  22 .   ? 24.545  12.675  9.955   1.00 1.26  1   V  1 
HETATM 2587 C C21   . LIG_V  V  22 .   ? 25.994  12.703  10.220  1.00 1.28  1   V  1 
HETATM 2588 O O3    . LIG_V  V  22 .   ? 26.320  11.588  10.815  1.00 1.31  1   V  1 
HETATM 2589 P P1    . LIG_V  V  22 .   ? 27.664  10.859  10.578  1.00 1.30  1   V  1 
HETATM 2590 O O4    . LIG_V  V  22 .   ? 28.260  11.260  9.355   1.00 1.24  1   V  1 
HETATM 2591 O O5    . LIG_V  V  22 .   ? 28.415  10.913  11.738  1.00 1.19  1   V  1 
HETATM 2592 O O6    . LIG_V  V  22 .   ? 27.102  9.439   10.381  1.00 1.36  1   V  1 
HETATM 2593 C C22   . LIG_V  V  22 .   ? 26.426  8.872   11.244  1.00 1.37  1   V  1 
HETATM 2594 C C23   . LIG_V  V  22 .   ? 26.071  7.582   10.929  1.00 1.33  1   V  1 
HETATM 2595 N N1    . LIG_V  V  22 .   ? 25.434  6.880   11.905  1.00 2.14  1   V  1 
HETATM 2596 C C24   . LIG_V  V  22 .   ? 25.448  5.523   11.531  1.00 1.33  1   V  1 
HETATM 2597 C C25   . LIG_V  V  22 .   ? 24.118  7.347   12.001  1.00 1.43  1   V  1 
HETATM 2598 C C26   . LIG_V  V  22 .   ? 26.074  7.011   13.147  1.00 1.42  1   V  1 
HETATM 2599 O O7    . LIG_V  V  22 .   ? 24.297  13.507  8.900   1.00 1.41  1   V  1 
HETATM 2600 C C27   . LIG_V  V  22 .   ? 24.089  12.940  7.812   1.00 1.37  1   V  1 
HETATM 2601 O O8    . LIG_V  V  22 .   ? 24.858  12.211  7.322   1.00 1.44  1   V  1 
HETATM 2602 C C28   . LIG_V  V  22 .   ? 22.974  13.185  7.310   1.00 1.28  1   V  1 
HETATM 2603 C C29   . LIG_V  V  22 .   ? 22.045  12.769  6.955   1.00 1.35  1   V  1 
HETATM 2604 C C30   . LIG_V  V  22 .   ? 21.032  12.692  6.606   1.00 1.44  1   V  1 
HETATM 2605 C C31   . LIG_V  V  22 .   ? 20.032  12.545  6.271   1.00 1.37  1   V  1 
HETATM 2606 C C32   . LIG_V  V  22 .   ? 19.055  12.532  5.866   1.00 1.53  1   V  1 
HETATM 2607 C C33   . LIG_V  V  22 .   ? 18.114  12.598  5.384   1.00 1.47  1   V  1 
HETATM 2608 C C34   . LIG_V  V  22 .   ? 17.224  12.821  4.818   1.00 1.46  1   V  1 
HETATM 2609 C C35   . LIG_V  V  22 .   ? 16.396  13.149  4.230   1.00 1.46  1   V  1 
HETATM 2610 C C36   . LIG_V  V  22 .   ? 15.608  13.615  3.655   1.00 1.59  1   V  1 
HETATM 2611 C C37   . LIG_V  V  22 .   ? 14.868  14.217  3.138   1.00 1.63  1   V  1 
HETATM 2612 C C38   . LIG_V  V  22 .   ? 14.170  14.922  2.675   1.00 1.50  1   V  1 
HETATM 2613 C C39   . LIG_V  V  22 .   ? 13.509  15.693  2.225   1.00 1.51  1   V  1 
HETATM 2614 C C40   . LIG_V  V  22 .   ? 12.897  16.488  1.785   1.00 1.68  1   V  1 
HETATM 2615 C C41   . LIG_V  V  22 .   ? 12.323  17.308  1.321   1.00 1.46  1   V  1 
HETATM 2616 C C42   . LIG_V  V  22 .   ? 11.780  18.057  0.805   1.00 1.47  1   V  1 
HETATM 2617 C C43   . LIG_V  V  22 .   ? 11.195  18.714  0.234   1.00 1.34  1   V  1 
HETATM 2618 C C44   . LIG_V  V  22 .   ? 10.486  19.310  -0.454  1.00 1.36  1   V  1 
HETATM 2619 C C1    . LIG_W  W  23 .   ? 5.416   21.255  -9.434  1.00 1.97  1   W  1 
HETATM 2620 C C2    . LIG_W  W  23 .   ? 5.275   21.353  -10.040 1.00 2.03  1   W  1 
HETATM 2621 C C3    . LIG_W  W  23 .   ? 4.400   21.387  -10.608 1.00 1.89  1   W  1 
HETATM 2622 C C4    . LIG_W  W  23 .   ? 3.452   21.365  -11.042 1.00 2.25  1   W  1 
HETATM 2623 C C5    . LIG_W  W  23 .   ? 2.427   21.336  -11.409 1.00 2.03  1   W  1 
HETATM 2624 C C6    . LIG_W  W  23 .   ? 1.392   21.294  -11.655 1.00 1.89  1   W  1 
HETATM 2625 C C7    . LIG_W  W  23 .   ? 0.353   21.248  -11.865 1.00 1.75  1   W  1 
HETATM 2626 C C8    . LIG_W  W  23 .   ? -0.706  21.234  -12.078 1.00 1.78  1   W  1 
HETATM 2627 C C9    . LIG_W  W  23 .   ? -1.760  21.243  -12.277 1.00 1.82  1   W  1 
HETATM 2628 C C10   . LIG_W  W  23 .   ? -2.869  21.257  -12.492 1.00 1.81  1   W  1 
HETATM 2629 C C11   . LIG_W  W  23 .   ? -3.945  21.266  -12.723 1.00 1.75  1   W  1 
HETATM 2630 C C12   . LIG_W  W  23 .   ? -5.042  21.273  -12.976 1.00 1.69  1   W  1 
HETATM 2631 C C13   . LIG_W  W  23 .   ? -6.113  21.281  -13.242 1.00 1.39  1   W  1 
HETATM 2632 C C14   . LIG_W  W  23 .   ? -7.213  21.278  -13.496 1.00 1.37  1   W  1 
HETATM 2633 C C15   . LIG_W  W  23 .   ? -8.266  21.291  -13.744 1.00 1.33  1   W  1 
HETATM 2634 C C16   . LIG_W  W  23 .   ? -9.391  21.281  -14.028 1.00 1.34  1   W  1 
HETATM 2635 C C17   . LIG_W  W  23 .   ? -10.397 21.271  -14.249 1.00 1.27  1   W  1 
HETATM 2636 C C18   . LIG_W  W  23 .   ? -11.637 21.271  -14.579 1.00 1.28  1   W  1 
HETATM 2637 O O1    . LIG_W  W  23 .   ? -11.982 21.354  -15.681 1.00 1.71  1   W  1 
HETATM 2638 O O2    . LIG_W  W  23 .   ? -12.367 21.128  -13.631 1.00 1.56  1   W  1 
HETATM 2639 C C19   . LIG_W  W  23 .   ? -13.649 21.011  -13.843 1.00 1.26  1   W  1 
HETATM 2640 C C20   . LIG_W  W  23 .   ? -14.274 20.081  -12.917 1.00 1.26  1   W  1 
HETATM 2641 C C21   . LIG_W  W  23 .   ? -15.725 20.317  -12.836 1.00 1.29  1   W  1 
HETATM 2642 O O3    . LIG_W  W  23 .   ? -16.209 20.486  -14.066 1.00 1.28  1   W  1 
HETATM 2643 P P1    . LIG_W  W  23 .   ? -17.527 19.848  -14.545 1.00 1.22  1   W  1 
HETATM 2644 O O4    . LIG_W  W  23 .   ? -17.298 18.506  -14.866 1.00 1.20  1   W  1 
HETATM 2645 O O5    . LIG_W  W  23 .   ? -18.108 20.702  -15.483 1.00 1.19  1   W  1 
HETATM 2646 O O6    . LIG_W  W  23 .   ? -18.348 19.933  -13.238 1.00 1.29  1   W  1 
HETATM 2647 C C22   . LIG_W  W  23 .   ? -19.067 19.017  -12.819 1.00 1.26  1   W  1 
HETATM 2648 C C23   . LIG_W  W  23 .   ? -19.723 19.374  -11.648 1.00 1.25  1   W  1 
HETATM 2649 N N1    . LIG_W  W  23 .   ? -20.387 18.370  -11.002 1.00 1.78  1   W  1 
HETATM 2650 C C24   . LIG_W  W  23 .   ? -21.235 17.669  -11.899 1.00 1.26  1   W  1 
HETATM 2651 C C25   . LIG_W  W  23 .   ? -21.134 18.965  -9.980  1.00 1.30  1   W  1 
HETATM 2652 C C26   . LIG_W  W  23 .   ? -19.443 17.485  -10.463 1.00 1.32  1   W  1 
HETATM 2653 O O7    . LIG_W  W  23 .   ? -13.748 20.253  -11.659 1.00 1.43  1   W  1 
HETATM 2654 C C27   . LIG_W  W  23 .   ? -13.124 19.244  -11.232 1.00 1.41  1   W  1 
HETATM 2655 O O8    . LIG_W  W  23 .   ? -13.289 18.170  -11.703 1.00 1.48  1   W  1 
HETATM 2656 C C28   . LIG_W  W  23 .   ? -12.227 19.471  -10.315 1.00 1.33  1   W  1 
HETATM 2657 C C29   . LIG_W  W  23 .   ? -11.077 19.368  -10.234 1.00 1.42  1   W  1 
HETATM 2658 C C30   . LIG_W  W  23 .   ? -9.999  19.491  -9.955  1.00 1.44  1   W  1 
HETATM 2659 C C31   . LIG_W  W  23 .   ? -8.877  19.631  -9.849  1.00 1.40  1   W  1 
HETATM 2660 C C32   . LIG_W  W  23 .   ? -7.786  19.828  -9.671  1.00 1.55  1   W  1 
HETATM 2661 C C33   . LIG_W  W  23 .   ? -6.678  20.033  -9.544  1.00 1.52  1   W  1 
HETATM 2662 C C34   . LIG_W  W  23 .   ? -5.569  20.241  -9.386  1.00 1.57  1   W  1 
HETATM 2663 C C35   . LIG_W  W  23 .   ? -4.449  20.438  -9.236  1.00 1.55  1   W  1 
HETATM 2664 C C36   . LIG_W  W  23 .   ? -3.320  20.620  -9.078  1.00 1.68  1   W  1 
HETATM 2665 C C37   . LIG_W  W  23 .   ? -2.181  20.777  -8.923  1.00 1.69  1   W  1 
HETATM 2666 C C38   . LIG_W  W  23 .   ? -1.027  20.898  -8.774  1.00 1.54  1   W  1 
HETATM 2667 C C39   . LIG_W  W  23 .   ? 0.133   20.980  -8.641  1.00 1.63  1   W  1 
HETATM 2668 C C40   . LIG_W  W  23 .   ? 1.274   21.031  -8.529  1.00 1.90  1   W  1 
HETATM 2669 C C41   . LIG_W  W  23 .   ? 2.423   21.064  -8.458  1.00 1.56  1   W  1 
HETATM 2670 C C42   . LIG_W  W  23 .   ? 3.535   21.079  -8.405  1.00 1.55  1   W  1 
HETATM 2671 C C43   . LIG_W  W  23 .   ? 4.643   21.058  -8.350  1.00 1.37  1   W  1 
HETATM 2672 C C44   . LIG_W  W  23 .   ? 5.866   21.009  -8.194  1.00 1.42  1   W  1 
HETATM 2673 C C1    . LIG_X  X  24 .   ? 10.387  7.087   3.615   1.00 2.05  1   X  1 
HETATM 2674 C C2    . LIG_X  X  24 .   ? 10.984  6.237   3.970   1.00 2.15  1   X  1 
HETATM 2675 C C3    . LIG_X  X  24 .   ? 10.759  5.440   4.728   1.00 2.01  1   X  1 
HETATM 2676 C C4    . LIG_X  X  24 .   ? 10.128  5.020   5.538   1.00 2.37  1   X  1 
HETATM 2677 C C5    . LIG_X  X  24 .   ? 9.436   4.658   6.340   1.00 2.14  1   X  1 
HETATM 2678 C C6    . LIG_X  X  24 .   ? 8.636   4.442   7.092   1.00 2.02  1   X  1 
HETATM 2679 C C7    . LIG_X  X  24 .   ? 7.790   4.292   7.781   1.00 1.92  1   X  1 
HETATM 2680 C C8    . LIG_X  X  24 .   ? 6.914   4.171   8.423   1.00 2.02  1   X  1 
HETATM 2681 C C9    . LIG_X  X  24 .   ? 6.043   4.022   9.054   1.00 2.17  1   X  1 
HETATM 2682 C C10   . LIG_X  X  24 .   ? 5.110   3.820   9.664   1.00 2.40  1   X  1 
HETATM 2683 C C11   . LIG_X  X  24 .   ? 4.217   3.539   10.241  1.00 2.36  1   X  1 
HETATM 2684 C C12   . LIG_X  X  24 .   ? 3.301   3.196   10.794  1.00 2.73  1   X  1 
HETATM 2685 C C13   . LIG_X  X  24 .   ? 2.476   2.764   11.362  1.00 2.01  1   X  1 
HETATM 2686 C C14   . LIG_X  X  24 .   ? 1.615   2.286   11.896  1.00 2.17  1   X  1 
HETATM 2687 C C15   . LIG_X  X  24 .   ? 0.910   1.776   12.549  1.00 2.09  1   X  1 
HETATM 2688 C C16   . LIG_X  X  24 .   ? 0.015   1.282   13.058  1.00 2.28  1   X  1 
HETATM 2689 C C17   . LIG_X  X  24 .   ? -0.601  0.809   13.824  1.00 1.88  1   X  1 
HETATM 2690 C C18   . LIG_X  X  24 .   ? -1.780  0.435   14.158  1.00 2.27  1   X  1 
HETATM 2691 O O1    . LIG_X  X  24 .   ? -2.188  0.595   15.244  1.00 2.83  1   X  1 
HETATM 2692 O O2    . LIG_X  X  24 .   ? -2.433  -0.002  13.228  1.00 2.87  1   X  1 
HETATM 2693 C C19   . LIG_X  X  24 .   ? -3.688  -0.236  13.434  1.00 2.04  1   X  1 
HETATM 2694 C C20   . LIG_X  X  24 .   ? -4.425  -0.224  12.182  1.00 2.73  1   X  1 
HETATM 2695 C C21   . LIG_X  X  24 .   ? -5.707  -0.895  12.430  1.00 2.95  1   X  1 
HETATM 2696 O O3    . LIG_X  X  24 .   ? -5.995  -1.808  11.519  1.00 3.33  1   X  1 
HETATM 2697 P P1    . LIG_X  X  24 .   ? -7.244  -2.707  11.731  1.00 4.77  1   X  1 
HETATM 2698 O O4    . LIG_X  X  24 .   ? -8.112  -2.097  12.675  1.00 3.52  1   X  1 
HETATM 2699 O O5    . LIG_X  X  24 .   ? -7.761  -3.042  10.453  1.00 4.79  1   X  1 
HETATM 2700 O O6    . LIG_X  X  24 .   ? -6.591  -3.997  12.323  1.00 4.01  1   X  1 
HETATM 2701 C C22   . LIG_X  X  24 .   ? -6.332  -4.153  13.546  1.00 5.29  1   X  1 
HETATM 2702 C C23   . LIG_X  X  24 .   ? -5.789  -5.364  13.933  1.00 6.36  1   X  1 
HETATM 2703 N N1    . LIG_X  X  24 .   ? -4.510  -5.358  14.473  1.00 8.44  1   X  1 
HETATM 2704 C C24   . LIG_X  X  24 .   ? -4.241  -6.600  15.032  1.00 6.45  1   X  1 
HETATM 2705 C C25   . LIG_X  X  24 .   ? -4.404  -4.353  15.445  1.00 6.46  1   X  1 
HETATM 2706 C C26   . LIG_X  X  24 .   ? -3.608  -5.091  13.422  1.00 7.08  1   X  1 
HETATM 2707 O O7    . LIG_X  X  24 .   ? -3.700  -0.875  11.223  1.00 2.81  1   X  1 
HETATM 2708 C C27   . LIG_X  X  24 .   ? -3.330  -0.126  10.270  1.00 3.46  1   X  1 
HETATM 2709 O O8    . LIG_X  X  24 .   ? -3.848  0.943   10.074  1.00 2.51  1   X  1 
HETATM 2710 C C28   . LIG_X  X  24 .   ? -2.331  -0.527  9.546   1.00 2.76  1   X  1 
HETATM 2711 C C29   . LIG_X  X  24 .   ? -1.515  0.038   8.951   1.00 2.75  1   X  1 
HETATM 2712 C C30   . LIG_X  X  24 .   ? -0.698  0.522   8.436   1.00 2.64  1   X  1 
HETATM 2713 C C31   . LIG_X  X  24 .   ? 0.106   1.136   7.950   1.00 2.44  1   X  1 
HETATM 2714 C C32   . LIG_X  X  24 .   ? 0.875   1.760   7.519   1.00 2.62  1   X  1 
HETATM 2715 C C33   . LIG_X  X  24 .   ? 1.615   2.470   7.091   1.00 2.16  1   X  1 
HETATM 2716 C C34   . LIG_X  X  24 .   ? 2.302   3.241   6.706   1.00 2.06  1   X  1 
HETATM 2717 C C35   . LIG_X  X  24 .   ? 2.950   4.044   6.305   1.00 1.86  1   X  1 
HETATM 2718 C C36   . LIG_X  X  24 .   ? 3.600   4.846   5.888   1.00 1.93  1   X  1 
HETATM 2719 C C37   . LIG_X  X  24 .   ? 4.293   5.611   5.441   1.00 1.90  1   X  1 
HETATM 2720 C C38   . LIG_X  X  24 .   ? 5.019   6.337   4.986   1.00 1.67  1   X  1 
HETATM 2721 C C39   . LIG_X  X  24 .   ? 5.792   7.009   4.512   1.00 1.66  1   X  1 
HETATM 2722 C C40   . LIG_X  X  24 .   ? 6.624   7.553   4.016   1.00 1.92  1   X  1 
HETATM 2723 C C41   . LIG_X  X  24 .   ? 7.494   8.004   3.473   1.00 1.58  1   X  1 
HETATM 2724 C C42   . LIG_X  X  24 .   ? 8.338   8.323   2.929   1.00 1.51  1   X  1 
HETATM 2725 C C43   . LIG_X  X  24 .   ? 9.140   8.682   2.315   1.00 1.36  1   X  1 
HETATM 2726 C C44   . LIG_X  X  24 .   ? 9.952   9.101   1.593   1.00 1.40  1   X  1 
HETATM 2727 C C1    . LIG_Y  Y  25 .   ? 2.271   23.323  -2.475  1.00 2.04  1   Y  1 
HETATM 2728 C C2    . LIG_Y  Y  25 .   ? 1.573   23.488  -1.760  1.00 2.25  1   Y  1 
HETATM 2729 C C3    . LIG_Y  Y  25 .   ? 0.503   23.384  -1.460  1.00 1.99  1   Y  1 
HETATM 2730 C C4    . LIG_Y  Y  25 .   ? -0.557  23.169  -1.338  1.00 2.29  1   Y  1 
HETATM 2731 C C5    . LIG_Y  Y  25 .   ? -1.639  22.927  -1.251  1.00 1.96  1   Y  1 
HETATM 2732 C C6    . LIG_Y  Y  25 .   ? -2.720  22.664  -1.187  1.00 1.80  1   Y  1 
HETATM 2733 C C7    . LIG_Y  Y  25 .   ? -3.795  22.413  -1.108  1.00 1.70  1   Y  1 
HETATM 2734 C C8    . LIG_Y  Y  25 .   ? -4.877  22.181  -1.019  1.00 1.72  1   Y  1 
HETATM 2735 C C9    . LIG_Y  Y  25 .   ? -5.957  21.999  -0.959  1.00 1.77  1   Y  1 
HETATM 2736 C C10   . LIG_Y  Y  25 .   ? -7.094  21.874  -0.964  1.00 1.76  1   Y  1 
HETATM 2737 C C11   . LIG_Y  Y  25 .   ? -8.197  21.828  -0.980  1.00 1.69  1   Y  1 
HETATM 2738 C C12   . LIG_Y  Y  25 .   ? -9.319  21.866  -1.117  1.00 1.63  1   Y  1 
HETATM 2739 C C13   . LIG_Y  Y  25 .   ? -10.397 22.002  -1.263  1.00 1.37  1   Y  1 
HETATM 2740 C C14   . LIG_Y  Y  25 .   ? -11.481 22.190  -1.533  1.00 1.35  1   Y  1 
HETATM 2741 C C15   . LIG_Y  Y  25 .   ? -12.493 22.477  -1.761  1.00 1.33  1   Y  1 
HETATM 2742 C C16   . LIG_Y  Y  25 .   ? -13.554 22.755  -2.143  1.00 1.35  1   Y  1 
HETATM 2743 C C17   . LIG_Y  Y  25 .   ? -14.490 23.154  -2.363  1.00 1.24  1   Y  1 
HETATM 2744 C C18   . LIG_Y  Y  25 .   ? -15.602 23.369  -2.954  1.00 1.27  1   Y  1 
HETATM 2745 O O1    . LIG_Y  Y  25 .   ? -16.514 23.802  -2.379  1.00 1.67  1   Y  1 
HETATM 2746 O O2    . LIG_Y  Y  25 .   ? -15.597 23.078  -4.153  1.00 1.53  1   Y  1 
HETATM 2747 C C19   . LIG_Y  Y  25 .   ? -16.724 23.182  -4.838  1.00 1.23  1   Y  1 
HETATM 2748 C C20   . LIG_Y  Y  25 .   ? -16.603 22.700  -6.203  1.00 1.26  1   Y  1 
HETATM 2749 C C21   . LIG_Y  Y  25 .   ? -17.887 22.129  -6.680  1.00 1.27  1   Y  1 
HETATM 2750 O O3    . LIG_Y  Y  25 .   ? -18.927 22.732  -6.077  1.00 1.27  1   Y  1 
HETATM 2751 P P1    . LIG_Y  Y  25 .   ? -20.044 21.846  -5.434  1.00 1.22  1   Y  1 
HETATM 2752 O O4    . LIG_Y  Y  25 .   ? -20.521 20.931  -6.402  1.00 1.18  1   Y  1 
HETATM 2753 O O5    . LIG_Y  Y  25 .   ? -19.618 21.342  -4.217  1.00 1.16  1   Y  1 
HETATM 2754 O O6    . LIG_Y  Y  25 .   ? -21.091 22.928  -5.154  1.00 1.27  1   Y  1 
HETATM 2755 C C22   . LIG_Y  Y  25 .   ? -22.008 23.274  -5.928  1.00 1.27  1   Y  1 
HETATM 2756 C C23   . LIG_Y  Y  25 .   ? -23.082 23.892  -5.290  1.00 1.26  1   Y  1 
HETATM 2757 N N1    . LIG_Y  Y  25 .   ? -23.701 24.927  -5.972  1.00 1.77  1   Y  1 
HETATM 2758 C C24   . LIG_Y  Y  25 .   ? -24.905 25.243  -5.299  1.00 1.27  1   Y  1 
HETATM 2759 C C25   . LIG_Y  Y  25 .   ? -23.985 24.563  -7.311  1.00 1.31  1   Y  1 
HETATM 2760 C C26   . LIG_Y  Y  25 .   ? -22.854 26.052  -5.952  1.00 1.33  1   Y  1 
HETATM 2761 O O7    . LIG_Y  Y  25 .   ? -15.661 21.681  -6.219  1.00 1.41  1   Y  1 
HETATM 2762 C C27   . LIG_Y  Y  25 .   ? -14.595 21.975  -6.843  1.00 1.39  1   Y  1 
HETATM 2763 O O8    . LIG_Y  Y  25 .   ? -14.560 22.876  -7.613  1.00 1.41  1   Y  1 
HETATM 2764 C C28   . LIG_Y  Y  25 .   ? -13.523 21.297  -6.550  1.00 1.32  1   Y  1 
HETATM 2765 C C29   . LIG_Y  Y  25 .   ? -12.410 21.391  -6.427  1.00 1.38  1   Y  1 
HETATM 2766 C C30   . LIG_Y  Y  25 .   ? -11.306 21.220  -6.203  1.00 1.40  1   Y  1 
HETATM 2767 C C31   . LIG_Y  Y  25 .   ? -10.191 21.188  -6.027  1.00 1.36  1   Y  1 
HETATM 2768 C C32   . LIG_Y  Y  25 .   ? -9.084  21.121  -5.843  1.00 1.49  1   Y  1 
HETATM 2769 C C33   . LIG_Y  Y  25 .   ? -7.962  21.135  -5.694  1.00 1.48  1   Y  1 
HETATM 2770 C C34   . LIG_Y  Y  25 .   ? -6.829  21.156  -5.568  1.00 1.50  1   Y  1 
HETATM 2771 C C35   . LIG_Y  Y  25 .   ? -5.693  21.210  -5.458  1.00 1.48  1   Y  1 
HETATM 2772 C C36   . LIG_Y  Y  25 .   ? -4.561  21.315  -5.359  1.00 1.57  1   Y  1 
HETATM 2773 C C37   . LIG_Y  Y  25 .   ? -3.423  21.465  -5.274  1.00 1.61  1   Y  1 
HETATM 2774 C C38   . LIG_Y  Y  25 .   ? -2.288  21.646  -5.181  1.00 1.48  1   Y  1 
HETATM 2775 C C39   . LIG_Y  Y  25 .   ? -1.149  21.846  -5.073  1.00 1.52  1   Y  1 
HETATM 2776 C C40   . LIG_Y  Y  25 .   ? -0.036  22.070  -4.926  1.00 1.76  1   Y  1 
HETATM 2777 C C41   . LIG_Y  Y  25 .   ? 1.076   22.302  -4.759  1.00 1.52  1   Y  1 
HETATM 2778 C C42   . LIG_Y  Y  25 .   ? 2.143   22.529  -4.584  1.00 1.53  1   Y  1 
HETATM 2779 C C43   . LIG_Y  Y  25 .   ? 3.229   22.698  -4.474  1.00 1.34  1   Y  1 
HETATM 2780 C C44   . LIG_Y  Y  25 .   ? 4.400   22.877  -4.405  1.00 1.41  1   Y  1 
HETATM 2781 C C1    . LIG_Z  Z  26 .   ? 9.976   23.266  8.184   1.00 2.03  1   Z  1 
HETATM 2782 C C2    . LIG_Z  Z  26 .   ? 10.410  23.356  9.064   1.00 2.23  1   Z  1 
HETATM 2783 C C3    . LIG_Z  Z  26 .   ? 10.128  23.657  10.048  1.00 2.02  1   Z  1 
HETATM 2784 C C4    . LIG_Z  Z  26 .   ? 9.520   23.985  10.857  1.00 2.36  1   Z  1 
HETATM 2785 C C5    . LIG_Z  Z  26 .   ? 8.783   24.308  11.581  1.00 2.00  1   Z  1 
HETATM 2786 C C6    . LIG_Z  Z  26 .   ? 7.921   24.621  12.195  1.00 1.77  1   Z  1 
HETATM 2787 C C7    . LIG_Z  Z  26 .   ? 7.012   24.924  12.698  1.00 1.63  1   Z  1 
HETATM 2788 C C8    . LIG_Z  Z  26 .   ? 6.043   25.233  13.095  1.00 1.65  1   Z  1 
HETATM 2789 C C9    . LIG_Z  Z  26 .   ? 5.058   25.539  13.400  1.00 1.68  1   Z  1 
HETATM 2790 C C10   . LIG_Z  Z  26 .   ? 4.017   25.889  13.669  1.00 1.71  1   Z  1 
HETATM 2791 C C11   . LIG_Z  Z  26 .   ? 2.990   26.239  13.861  1.00 1.61  1   Z  1 
HETATM 2792 C C12   . LIG_Z  Z  26 .   ? 1.949   26.631  14.022  1.00 1.58  1   Z  1 
HETATM 2793 C C13   . LIG_Z  Z  26 .   ? 0.915   27.012  14.131  1.00 1.32  1   Z  1 
HETATM 2794 C C14   . LIG_Z  Z  26 .   ? -0.131  27.431  14.198  1.00 1.32  1   Z  1 
HETATM 2795 C C15   . LIG_Z  Z  26 .   ? -1.173  27.778  14.210  1.00 1.30  1   Z  1 
HETATM 2796 C C16   . LIG_Z  Z  26 .   ? -2.200  28.292  14.241  1.00 1.31  1   Z  1 
HETATM 2797 C C17   . LIG_Z  Z  26 .   ? -3.243  28.560  14.121  1.00 1.21  1   Z  1 
HETATM 2798 C C18   . LIG_Z  Z  26 .   ? -4.152  29.469  14.197  1.00 1.27  1   Z  1 
HETATM 2799 O O1    . LIG_Z  Z  26 .   ? -3.884  30.511  14.672  1.00 1.62  1   Z  1 
HETATM 2800 O O2    . LIG_Z  Z  26 .   ? -5.230  29.230  13.732  1.00 1.49  1   Z  1 
HETATM 2801 C C19   . LIG_Z  Z  26 .   ? -6.085  30.232  13.716  1.00 1.23  1   Z  1 
HETATM 2802 C C20   . LIG_Z  Z  26 .   ? -7.079  30.073  12.670  1.00 1.25  1   Z  1 
HETATM 2803 C C21   . LIG_Z  Z  26 .   ? -8.306  30.823  13.024  1.00 1.31  1   Z  1 
HETATM 2804 O O3    . LIG_Z  Z  26 .   ? -8.797  30.296  14.176  1.00 1.29  1   Z  1 
HETATM 2805 P P1    . LIG_Z  Z  26 .   ? -9.696  31.118  15.091  1.00 1.28  1   Z  1 
HETATM 2806 O O4    . LIG_Z  Z  26 .   ? -9.078  32.372  15.321  1.00 1.21  1   Z  1 
HETATM 2807 O O5    . LIG_Z  Z  26 .   ? -10.143 30.294  16.135  1.00 1.17  1   Z  1 
HETATM 2808 O O6    . LIG_Z  Z  26 .   ? -10.890 31.325  14.108  1.00 1.29  1   Z  1 
HETATM 2809 C C22   . LIG_Z  Z  26 .   ? -11.621 32.323  14.158  1.00 1.30  1   Z  1 
HETATM 2810 C C23   . LIG_Z  Z  26 .   ? -12.577 32.364  13.157  1.00 1.31  1   Z  1 
HETATM 2811 N N1    . LIG_Z  Z  26 .   ? -13.460 33.400  13.245  1.00 1.84  1   Z  1 
HETATM 2812 C C24   . LIG_Z  Z  26 .   ? -14.146 33.334  14.491  1.00 1.30  1   Z  1 
HETATM 2813 C C25   . LIG_Z  Z  26 .   ? -14.370 33.266  12.197  1.00 1.34  1   Z  1 
HETATM 2814 C C26   . LIG_Z  Z  26 .   ? -12.765 34.624  13.144  1.00 1.38  1   Z  1 
HETATM 2815 O O7    . LIG_Z  Z  26 .   ? -7.405  28.740  12.555  1.00 1.38  1   Z  1 
HETATM 2816 C C27   . LIG_Z  Z  26 .   ? -7.425  28.242  11.408  1.00 1.38  1   Z  1 
HETATM 2817 O O8    . LIG_Z  Z  26 .   ? -8.450  27.937  10.947  1.00 1.41  1   Z  1 
HETATM 2818 C C28   . LIG_Z  Z  26 .   ? -6.334  27.969  10.827  1.00 1.30  1   Z  1 
HETATM 2819 C C29   . LIG_Z  Z  26 .   ? -5.275  27.698  10.743  1.00 1.36  1   Z  1 
HETATM 2820 C C30   . LIG_Z  Z  26 .   ? -4.186  27.438  10.535  1.00 1.37  1   Z  1 
HETATM 2821 C C31   . LIG_Z  Z  26 .   ? -3.092  27.185  10.447  1.00 1.32  1   Z  1 
HETATM 2822 C C32   . LIG_Z  Z  26 .   ? -2.030  26.939  10.319  1.00 1.47  1   Z  1 
HETATM 2823 C C33   . LIG_Z  Z  26 .   ? -0.956  26.680  10.210  1.00 1.44  1   Z  1 
HETATM 2824 C C34   . LIG_Z  Z  26 .   ? 0.116   26.408  10.060  1.00 1.44  1   Z  1 
HETATM 2825 C C35   . LIG_Z  Z  26 .   ? 1.185   26.124  9.879   1.00 1.46  1   Z  1 
HETATM 2826 C C36   . LIG_Z  Z  26 .   ? 2.239   25.810  9.656   1.00 1.54  1   Z  1 
HETATM 2827 C C37   . LIG_Z  Z  26 .   ? 3.271   25.459  9.367   1.00 1.56  1   Z  1 
HETATM 2828 C C38   . LIG_Z  Z  26 .   ? 4.283   25.076  9.023   1.00 1.45  1   Z  1 
HETATM 2829 C C39   . LIG_Z  Z  26 .   ? 5.278   24.671  8.639   1.00 1.54  1   Z  1 
HETATM 2830 C C40   . LIG_Z  Z  26 .   ? 6.239   24.284  8.207   1.00 1.84  1   Z  1 
HETATM 2831 C C41   . LIG_Z  Z  26 .   ? 7.184   23.910  7.719   1.00 1.55  1   Z  1 
HETATM 2832 C C42   . LIG_Z  Z  26 .   ? 8.092   23.572  7.217   1.00 1.59  1   Z  1 
HETATM 2833 C C43   . LIG_Z  Z  26 .   ? 8.955   23.260  6.640   1.00 1.37  1   Z  1 
HETATM 2834 C C44   . LIG_Z  Z  26 .   ? 9.852   22.957  5.911   1.00 1.40  1   Z  1 
HETATM 2835 C C1    . LIG_AA AA 27 .   ? 5.063   22.347  -20.660 1.00 2.07  1   AA 1 
HETATM 2836 C C2    . LIG_AA AA 27 .   ? 4.647   22.937  -19.980 1.00 2.35  1   AA 1 
HETATM 2837 C C3    . LIG_AA AA 27 .   ? 3.700   23.332  -19.604 1.00 2.15  1   AA 1 
HETATM 2838 C C4    . LIG_AA AA 27 .   ? 2.658   23.570  -19.531 1.00 2.53  1   AA 1 
HETATM 2839 C C5    . LIG_AA AA 27 .   ? 1.581   23.769  -19.557 1.00 2.05  1   AA 1 
HETATM 2840 C C6    . LIG_AA AA 27 .   ? 0.497   23.922  -19.722 1.00 1.86  1   AA 1 
HETATM 2841 C C7    . LIG_AA AA 27 .   ? -0.563  24.083  -19.921 1.00 1.75  1   AA 1 
HETATM 2842 C C8    . LIG_AA AA 27 .   ? -1.613  24.244  -20.181 1.00 1.76  1   AA 1 
HETATM 2843 C C9    . LIG_AA AA 27 .   ? -2.633  24.400  -20.443 1.00 1.79  1   AA 1 
HETATM 2844 C C10   . LIG_AA AA 27 .   ? -3.702  24.559  -20.732 1.00 1.82  1   AA 1 
HETATM 2845 C C11   . LIG_AA AA 27 .   ? -4.743  24.725  -21.010 1.00 1.77  1   AA 1 
HETATM 2846 C C12   . LIG_AA AA 27 .   ? -5.801  24.870  -21.286 1.00 1.74  1   AA 1 
HETATM 2847 C C13   . LIG_AA AA 27 .   ? -6.825  25.035  -21.549 1.00 1.47  1   AA 1 
HETATM 2848 C C14   . LIG_AA AA 27 .   ? -7.868  25.142  -21.863 1.00 1.43  1   AA 1 
HETATM 2849 C C15   . LIG_AA AA 27 .   ? -8.870  25.311  -22.154 1.00 1.35  1   AA 1 
HETATM 2850 C C16   . LIG_AA AA 27 .   ? -9.932  25.306  -22.501 1.00 1.36  1   AA 1 
HETATM 2851 C C17   . LIG_AA AA 27 .   ? -10.899 25.451  -22.774 1.00 1.28  1   AA 1 
HETATM 2852 C C18   . LIG_AA AA 27 .   ? -12.036 25.112  -23.169 1.00 1.29  1   AA 1 
HETATM 2853 O O1    . LIG_AA AA 27 .   ? -12.990 25.391  -22.565 1.00 1.65  1   AA 1 
HETATM 2854 O O2    . LIG_AA AA 27 .   ? -11.984 24.435  -24.156 1.00 1.52  1   AA 1 
HETATM 2855 C C19   . LIG_AA AA 27 .   ? -13.072 23.898  -24.537 1.00 1.28  1   AA 1 
HETATM 2856 C C20   . LIG_AA AA 27 .   ? -12.801 22.788  -25.413 1.00 1.27  1   AA 1 
HETATM 2857 C C21   . LIG_AA AA 27 .   ? -14.116 22.419  -25.948 1.00 1.37  1   AA 1 
HETATM 2858 O O3    . LIG_AA AA 27 .   ? -14.053 21.339  -26.659 1.00 1.29  1   AA 1 
HETATM 2859 P P1    . LIG_AA AA 27 .   ? -15.323 20.587  -27.029 1.00 1.30  1   AA 1 
HETATM 2860 O O4    . LIG_AA AA 27 .   ? -16.301 21.482  -27.581 1.00 1.21  1   AA 1 
HETATM 2861 O O5    . LIG_AA AA 27 .   ? -14.954 19.447  -27.735 1.00 1.19  1   AA 1 
HETATM 2862 O O6    . LIG_AA AA 27 .   ? -15.797 20.197  -25.604 1.00 1.32  1   AA 1 
HETATM 2863 C C22   . LIG_AA AA 27 .   ? -15.341 19.243  -24.975 1.00 1.33  1   AA 1 
HETATM 2864 C C23   . LIG_AA AA 27 .   ? -15.730 19.182  -23.630 1.00 1.32  1   AA 1 
HETATM 2865 N N1    . LIG_AA AA 27 .   ? -14.829 18.663  -22.764 1.00 1.96  1   AA 1 
HETATM 2866 C C24   . LIG_AA AA 27 .   ? -15.460 18.540  -21.533 1.00 1.33  1   AA 1 
HETATM 2867 C C25   . LIG_AA AA 27 .   ? -14.361 17.422  -23.232 1.00 1.38  1   AA 1 
HETATM 2868 C C26   . LIG_AA AA 27 .   ? -13.735 19.523  -22.627 1.00 1.40  1   AA 1 
HETATM 2869 O O7    . LIG_AA AA 27 .   ? -12.239 21.809  -24.627 1.00 1.44  1   AA 1 
HETATM 2870 C C27   . LIG_AA AA 27 .   ? -11.268 21.209  -25.127 1.00 1.46  1   AA 1 
HETATM 2871 O O8    . LIG_AA AA 27 .   ? -11.104 21.185  -26.289 1.00 1.48  1   AA 1 
HETATM 2872 C C28   . LIG_AA AA 27 .   ? -10.426 20.659  -24.343 1.00 1.36  1   AA 1 
HETATM 2873 C C29   . LIG_AA AA 27 .   ? -9.338  20.436  -24.334 1.00 1.43  1   AA 1 
HETATM 2874 C C30   . LIG_AA AA 27 .   ? -8.301  20.273  -24.075 1.00 1.42  1   AA 1 
HETATM 2875 C C31   . LIG_AA AA 27 .   ? -7.213  20.251  -23.942 1.00 1.38  1   AA 1 
HETATM 2876 C C32   . LIG_AA AA 27 .   ? -6.153  20.298  -23.766 1.00 1.51  1   AA 1 
HETATM 2877 C C33   . LIG_AA AA 27 .   ? -5.072  20.387  -23.646 1.00 1.51  1   AA 1 
HETATM 2878 C C34   . LIG_AA AA 27 .   ? -3.998  20.473  -23.505 1.00 1.54  1   AA 1 
HETATM 2879 C C35   . LIG_AA AA 27 .   ? -2.921  20.534  -23.357 1.00 1.55  1   AA 1 
HETATM 2880 C C36   . LIG_AA AA 27 .   ? -1.836  20.573  -23.203 1.00 1.70  1   AA 1 
HETATM 2881 C C37   . LIG_AA AA 27 .   ? -0.752  20.617  -23.054 1.00 1.68  1   AA 1 
HETATM 2882 C C38   . LIG_AA AA 27 .   ? 0.336   20.652  -22.883 1.00 1.55  1   AA 1 
HETATM 2883 C C39   . LIG_AA AA 27 .   ? 1.437   20.679  -22.710 1.00 1.65  1   AA 1 
HETATM 2884 C C40   . LIG_AA AA 27 .   ? 2.531   20.721  -22.539 1.00 1.97  1   AA 1 
HETATM 2885 C C41   . LIG_AA AA 27 .   ? 3.639   20.781  -22.380 1.00 1.68  1   AA 1 
HETATM 2886 C C42   . LIG_AA AA 27 .   ? 4.704   20.859  -22.256 1.00 1.69  1   AA 1 
HETATM 2887 C C43   . LIG_AA AA 27 .   ? 5.780   20.880  -22.173 1.00 1.41  1   AA 1 
HETATM 2888 C C44   . LIG_AA AA 27 .   ? 6.938   20.857  -22.131 1.00 1.50  1   AA 1 
HETATM 2889 C C1    . LIG_BA BA 28 .   ? 6.430   31.521  -7.932  1.00 1.87  1   BA 1 
HETATM 2890 C C2    . LIG_BA BA 28 .   ? 6.246   30.764  -8.435  1.00 2.19  1   BA 1 
HETATM 2891 C C3    . LIG_BA BA 28 .   ? 5.583   30.212  -9.106  1.00 2.11  1   BA 1 
HETATM 2892 C C4    . LIG_BA BA 28 .   ? 4.835   29.799  -9.770  1.00 2.45  1   BA 1 
HETATM 2893 C C5    . LIG_BA BA 28 .   ? 4.054   29.412  -10.461 1.00 2.06  1   BA 1 
HETATM 2894 C C6    . LIG_BA BA 28 .   ? 3.264   29.117  -11.159 1.00 1.83  1   BA 1 
HETATM 2895 C C7    . LIG_BA BA 28 .   ? 2.470   28.854  -11.859 1.00 1.72  1   BA 1 
HETATM 2896 C C8    . LIG_BA BA 28 .   ? 1.686   28.657  -12.585 1.00 1.73  1   BA 1 
HETATM 2897 C C9    . LIG_BA BA 28 .   ? 0.895   28.451  -13.278 1.00 1.82  1   BA 1 
HETATM 2898 C C10   . LIG_BA BA 28 .   ? 0.056   28.247  -13.974 1.00 1.83  1   BA 1 
HETATM 2899 C C11   . LIG_BA BA 28 .   ? -0.783  28.035  -14.634 1.00 1.75  1   BA 1 
HETATM 2900 C C12   . LIG_BA BA 28 .   ? -1.654  27.853  -15.258 1.00 1.76  1   BA 1 
HETATM 2901 C C13   . LIG_BA BA 28 .   ? -2.552  27.737  -15.841 1.00 1.45  1   BA 1 
HETATM 2902 C C14   . LIG_BA BA 28 .   ? -3.497  27.685  -16.386 1.00 1.43  1   BA 1 
HETATM 2903 C C15   . LIG_BA BA 28 .   ? -4.441  27.692  -16.857 1.00 1.39  1   BA 1 
HETATM 2904 C C16   . LIG_BA BA 28 .   ? -5.431  27.789  -17.370 1.00 1.37  1   BA 1 
HETATM 2905 C C17   . LIG_BA BA 28 .   ? -6.380  27.914  -17.652 1.00 1.28  1   BA 1 
HETATM 2906 C C18   . LIG_BA BA 28 .   ? -7.392  28.144  -18.347 1.00 1.32  1   BA 1 
HETATM 2907 O O1    . LIG_BA BA 28 .   ? -7.332  28.277  -19.503 1.00 1.68  1   BA 1 
HETATM 2908 O O2    . LIG_BA BA 28 .   ? -8.371  28.179  -17.694 1.00 1.51  1   BA 1 
HETATM 2909 C C19   . LIG_BA BA 28 .   ? -9.443  28.378  -18.351 1.00 1.26  1   BA 1 
HETATM 2910 C C20   . LIG_BA BA 28 .   ? -10.586 28.509  -17.500 1.00 1.25  1   BA 1 
HETATM 2911 C C21   . LIG_BA BA 28 .   ? -11.784 28.766  -18.346 1.00 1.31  1   BA 1 
HETATM 2912 O O3    . LIG_BA BA 28 .   ? -11.419 29.668  -19.261 1.00 1.24  1   BA 1 
HETATM 2913 P P1    . LIG_BA BA 28 .   ? -12.318 30.842  -19.683 1.00 1.31  1   BA 1 
HETATM 2914 O O4    . LIG_BA BA 28 .   ? -13.684 30.385  -19.693 1.00 1.21  1   BA 1 
HETATM 2915 O O5    . LIG_BA BA 28 .   ? -11.752 31.362  -20.822 1.00 1.19  1   BA 1 
HETATM 2916 O O6    . LIG_BA BA 28 .   ? -12.155 31.770  -18.484 1.00 1.25  1   BA 1 
HETATM 2917 C C22   . LIG_BA BA 28 .   ? -11.747 32.966  -18.550 1.00 1.33  1   BA 1 
HETATM 2918 C C23   . LIG_BA BA 28 .   ? -11.651 33.608  -17.378 1.00 1.28  1   BA 1 
HETATM 2919 N N1    . LIG_BA BA 28 .   ? -10.631 33.830  -16.820 1.00 1.90  1   BA 1 
HETATM 2920 O O7    . LIG_BA BA 28 .   ? -10.447 29.579  -16.686 1.00 1.34  1   BA 1 
HETATM 2921 C C24   . LIG_BA BA 28 .   ? -10.622 29.357  -15.474 1.00 1.32  1   BA 1 
HETATM 2922 O O8    . LIG_BA BA 28 .   ? -10.753 28.263  -15.022 1.00 1.45  1   BA 1 
HETATM 2923 C C25   . LIG_BA BA 28 .   ? -10.579 30.411  -14.740 1.00 1.37  1   BA 1 
HETATM 2924 C C26   . LIG_BA BA 28 .   ? -9.825  30.654  -13.896 1.00 1.53  1   BA 1 
HETATM 2925 C C27   . LIG_BA BA 28 .   ? -8.836  30.395  -13.551 1.00 1.63  1   BA 1 
HETATM 2926 C C28   . LIG_BA BA 28 .   ? -7.918  30.351  -12.967 1.00 1.46  1   BA 1 
HETATM 2927 C C29   . LIG_BA BA 28 .   ? -6.913  30.080  -12.608 1.00 1.57  1   BA 1 
HETATM 2928 C C30   . LIG_BA BA 28 .   ? -5.953  29.927  -12.164 1.00 1.56  1   BA 1 
HETATM 2929 C C31   . LIG_BA BA 28 .   ? -4.965  29.821  -11.774 1.00 1.55  1   BA 1 
HETATM 2930 C C32   . LIG_BA BA 28 .   ? -4.001  29.870  -11.345 1.00 1.67  1   BA 1 
HETATM 2931 C C33   . LIG_BA BA 28 .   ? -3.037  30.081  -10.942 1.00 1.59  1   BA 1 
HETATM 2932 C C34   . LIG_BA BA 28 .   ? -2.106  30.449  -10.538 1.00 1.56  1   BA 1 
HETATM 2933 C C35   . LIG_BA BA 28 .   ? -1.200  30.902  -10.136 1.00 1.62  1   BA 1 
HETATM 2934 C C36   . LIG_BA BA 28 .   ? -0.296  31.387  -9.731  1.00 1.74  1   BA 1 
HETATM 2935 C C37   . LIG_BA BA 28 .   ? 0.606   31.864  -9.328  1.00 1.78  1   BA 1 
HETATM 2936 C C38   . LIG_BA BA 28 .   ? 1.535   32.305  -8.920  1.00 1.51  1   BA 1 
HETATM 2937 C C39   . LIG_BA BA 28 .   ? 2.481   32.683  -8.520  1.00 1.56  1   BA 1 
HETATM 2938 C C40   . LIG_BA BA 28 .   ? 3.438   32.927  -8.105  1.00 1.62  1   BA 1 
HETATM 2939 C C41   . LIG_BA BA 28 .   ? 4.401   33.067  -7.712  1.00 1.40  1   BA 1 
HETATM 2940 C C1    . LIG_AB AB 29 .   ? 13.875  13.749  -2.918  1.00 1.84  1   AB 1 
HETATM 2941 C C2    . LIG_AB AB 29 .   ? 13.464  14.508  -2.468  1.00 1.93  1   AB 1 
HETATM 2942 C C3    . LIG_AB AB 29 .   ? 13.951  15.110  -1.804  1.00 1.77  1   AB 1 
HETATM 2943 C C4    . LIG_AB AB 29 .   ? 14.844  15.240  -1.310  1.00 2.07  1   AB 1 
HETATM 2944 C C5    . LIG_AB AB 29 .   ? 15.832  15.126  -0.974  1.00 1.92  1   AB 1 
HETATM 2945 C C6    . LIG_AB AB 29 .   ? 16.813  14.751  -0.793  1.00 1.83  1   AB 1 
HETATM 2946 C C7    . LIG_AB AB 29 .   ? 17.762  14.326  -0.692  1.00 1.66  1   AB 1 
HETATM 2947 C C8    . LIG_AB AB 29 .   ? 18.724  13.875  -0.684  1.00 1.73  1   AB 1 
HETATM 2948 C C9    . LIG_AB AB 29 .   ? 19.681  13.443  -0.749  1.00 1.81  1   AB 1 
HETATM 2949 C C10   . LIG_AB AB 29 .   ? 20.698  13.035  -0.867  1.00 1.88  1   AB 1 
HETATM 2950 C C11   . LIG_AB AB 29 .   ? 21.711  12.700  -1.016  1.00 1.70  1   AB 1 
HETATM 2951 C C12   . LIG_AB AB 29 .   ? 22.758  12.389  -1.181  1.00 1.72  1   AB 1 
HETATM 2952 C C13   . LIG_AB AB 29 .   ? 23.794  12.148  -1.287  1.00 1.38  1   AB 1 
HETATM 2953 C C14   . LIG_AB AB 29 .   ? 24.861  11.916  -1.452  1.00 1.35  1   AB 1 
HETATM 2954 C C15   . LIG_AB AB 29 .   ? 25.918  11.754  -1.482  1.00 1.30  1   AB 1 
HETATM 2955 C C16   . LIG_AB AB 29 .   ? 26.997  11.500  -1.730  1.00 1.28  1   AB 1 
HETATM 2956 C C17   . LIG_AB AB 29 .   ? 28.054  11.294  -1.589  1.00 1.22  1   AB 1 
HETATM 2957 C C18   . LIG_AB AB 29 .   ? 29.110  10.873  -2.165  1.00 1.26  1   AB 1 
HETATM 2958 O O1    . LIG_AB AB 29 .   ? 29.505  11.344  -3.152  1.00 1.79  1   AB 1 
HETATM 2959 O O2    . LIG_AB AB 29 .   ? 29.602  9.910   -1.637  1.00 1.58  1   AB 1 
HETATM 2960 C C19   . LIG_AB AB 29 .   ? 30.618  9.361   -2.240  1.00 1.23  1   AB 1 
HETATM 2961 C C20   . LIG_AB AB 29 .   ? 30.548  7.909   -2.250  1.00 1.25  1   AB 1 
HETATM 2962 C C21   . LIG_AB AB 29 .   ? 31.893  7.349   -2.418  1.00 1.28  1   AB 1 
HETATM 2963 O O3    . LIG_AB AB 29 .   ? 32.533  7.531   -1.278  1.00 1.32  1   AB 1 
HETATM 2964 P P1    . LIG_AB AB 29 .   ? 33.939  8.096   -1.275  1.00 1.28  1   AB 1 
HETATM 2965 O O4    . LIG_AB AB 29 .   ? 34.202  8.480   0.051   1.00 1.26  1   AB 1 
HETATM 2966 O O5    . LIG_AB AB 29 .   ? 34.142  8.934   -2.342  1.00 1.21  1   AB 1 
HETATM 2967 O O6    . LIG_AB AB 29 .   ? 34.606  6.774   -1.573  1.00 1.33  1   AB 1 
HETATM 2968 C C22   . LIG_AB AB 29 .   ? 35.722  6.725   -2.000  1.00 1.32  1   AB 1 
HETATM 2969 C C23   . LIG_AB AB 29 .   ? 36.660  6.242   -1.095  1.00 1.29  1   AB 1 
HETATM 2970 N N1    . LIG_AB AB 29 .   ? 37.860  5.974   -1.685  1.00 1.88  1   AB 1 
HETATM 2971 C C24   . LIG_AB AB 29 .   ? 37.675  4.941   -2.636  1.00 1.30  1   AB 1 
HETATM 2972 C C25   . LIG_AB AB 29 .   ? 38.303  7.144   -2.345  1.00 1.35  1   AB 1 
HETATM 2973 C C26   . LIG_AB AB 29 .   ? 38.732  5.590   -0.676  1.00 1.32  1   AB 1 
HETATM 2974 O O7    . LIG_AB AB 29 .   ? 29.808  7.509   -3.326  1.00 1.41  1   AB 1 
HETATM 2975 C C27   . LIG_AB AB 29 .   ? 29.017  6.589   -3.094  1.00 1.42  1   AB 1 
HETATM 2976 O O8    . LIG_AB AB 29 .   ? 29.030  5.963   -2.094  1.00 1.52  1   AB 1 
HETATM 2977 C C28   . LIG_AB AB 29 .   ? 28.117  6.441   -3.986  1.00 1.32  1   AB 1 
HETATM 2978 C C29   . LIG_AB AB 29 .   ? 27.020  6.623   -4.003  1.00 1.40  1   AB 1 
HETATM 2979 C C30   . LIG_AB AB 29 .   ? 26.009  6.969   -3.972  1.00 1.43  1   AB 1 
HETATM 2980 C C31   . LIG_AB AB 29 .   ? 24.982  7.325   -3.893  1.00 1.41  1   AB 1 
HETATM 2981 C C32   . LIG_AB AB 29 .   ? 23.982  7.699   -3.786  1.00 1.54  1   AB 1 
HETATM 2982 C C33   . LIG_AB AB 29 .   ? 22.987  8.080   -3.640  1.00 1.52  1   AB 1 
HETATM 2983 C C34   . LIG_AB AB 29 .   ? 21.996  8.470   -3.470  1.00 1.51  1   AB 1 
HETATM 2984 C C35   . LIG_AB AB 29 .   ? 21.021  8.858   -3.285  1.00 1.54  1   AB 1 
HETATM 2985 C C36   . LIG_AB AB 29 .   ? 20.025  9.246   -3.116  1.00 1.68  1   AB 1 
HETATM 2986 C C37   . LIG_AB AB 29 .   ? 19.037  9.653   -2.987  1.00 1.68  1   AB 1 
HETATM 2987 C C38   . LIG_AB AB 29 .   ? 18.059  10.126  -2.967  1.00 1.53  1   AB 1 
HETATM 2988 C C39   . LIG_AB AB 29 .   ? 17.122  10.662  -3.025  1.00 1.59  1   AB 1 
HETATM 2989 C C40   . LIG_AB AB 29 .   ? 16.249  11.266  -3.198  1.00 1.82  1   AB 1 
HETATM 2990 C C41   . LIG_AB AB 29 .   ? 15.435  11.914  -3.462  1.00 1.54  1   AB 1 
HETATM 2991 C C42   . LIG_AB AB 29 .   ? 14.682  12.564  -3.804  1.00 1.48  1   AB 1 
HETATM 2992 C C43   . LIG_AB AB 29 .   ? 13.997  13.273  -4.116  1.00 1.34  1   AB 1 
HETATM 2993 C C44   . LIG_AB AB 29 .   ? 13.260  14.041  -4.571  1.00 1.37  1   AB 1 
HETATM 2994 C C1    . LIG_BB BB 30 .   ? 6.037   15.278  6.183   1.00 1.30  1   BB 1 
HETATM 2995 C C2    . LIG_BB BB 30 .   ? 4.762   15.149  6.261   1.00 1.28  1   BB 1 
HETATM 2996 C C3    . LIG_BB BB 30 .   ? 4.014   14.731  7.133   1.00 1.27  1   BB 1 
HETATM 2997 C C4    . LIG_BB BB 30 .   ? 2.821   14.468  7.161   1.00 1.32  1   BB 1 
HETATM 2998 C C5    . LIG_BB BB 30 .   ? 2.021   13.917  7.845   1.00 1.35  1   BB 1 
HETATM 2999 C C6    . LIG_BB BB 30 .   ? 0.900   13.545  7.738   1.00 1.29  1   BB 1 
HETATM 3000 C C7    . LIG_BB BB 30 .   ? 0.123   12.991  8.400   1.00 1.31  1   BB 1 
HETATM 3001 C C8    . LIG_BB BB 30 .   ? 0.080   12.083  9.081   1.00 1.39  1   BB 1 
HETATM 3002 C C9    . LIG_BB BB 30 .   ? -0.517  11.505  9.869   1.00 1.41  1   BB 1 
HETATM 3003 C C10   . LIG_BB BB 30 .   ? -1.281  11.102  10.500  1.00 1.44  1   BB 1 
HETATM 3004 C C11   . LIG_BB BB 30 .   ? -2.039  10.784  11.272  1.00 1.42  1   BB 1 
HETATM 3005 C C12   . LIG_BB BB 30 .   ? -3.062  10.719  11.766  1.00 1.52  1   BB 1 
HETATM 3006 C C13   . LIG_BB BB 30 .   ? -3.730  10.536  12.725  1.00 1.37  1   BB 1 
HETATM 3007 C C14   . LIG_BB BB 30 .   ? -4.853  10.575  13.084  1.00 1.39  1   BB 1 
HETATM 3008 C C15   . LIG_BB BB 30 .   ? -5.570  10.362  14.023  1.00 1.39  1   BB 1 
HETATM 3009 C C16   . LIG_BB BB 30 .   ? -6.774  10.216  14.177  1.00 1.40  1   BB 1 
HETATM 3010 C C17   . LIG_BB BB 30 .   ? -7.488  9.787   15.182  1.00 1.26  1   BB 1 
HETATM 3011 C C18   . LIG_BB BB 30 .   ? -8.556  8.971   14.815  1.00 1.29  1   BB 1 
HETATM 3012 O O1    . LIG_BB BB 30 .   ? -8.608  7.842   15.152  1.00 1.60  1   BB 1 
HETATM 3013 O O2    . LIG_BB BB 30 .   ? -9.400  9.515   14.103  1.00 1.48  1   BB 1 
HETATM 3014 C C19   . LIG_BB BB 30 .   ? -10.472 8.799   13.724  1.00 1.23  1   BB 1 
HETATM 3015 C C20   . LIG_BB BB 30 .   ? -11.220 9.584   12.741  1.00 1.30  1   BB 1 
HETATM 3016 C C21   . LIG_BB BB 30 .   ? -12.616 9.141   12.537  1.00 1.29  1   BB 1 
HETATM 3017 O O3    . LIG_BB BB 30 .   ? -12.935 8.036   13.217  1.00 1.35  1   BB 1 
HETATM 3018 P P1    . LIG_BB BB 30 .   ? -14.424 7.609   13.301  1.00 1.36  1   BB 1 
HETATM 3019 O O4    . LIG_BB BB 30 .   ? -14.455 6.322   13.879  1.00 1.32  1   BB 1 
HETATM 3020 O O5    . LIG_BB BB 30 .   ? -15.082 7.848   12.070  1.00 1.24  1   BB 1 
HETATM 3021 O O6    . LIG_BB BB 30 .   ? -14.909 8.719   14.263  1.00 1.36  1   BB 1 
HETATM 3022 C C22   . LIG_BB BB 30 .   ? -15.378 8.567   15.393  1.00 1.25  1   BB 1 
HETATM 3023 C C23   . LIG_BB BB 30 .   ? -15.955 9.748   15.828  1.00 1.19  1   BB 1 
HETATM 3024 N N1    . LIG_BB BB 30 .   ? -16.497 9.773   16.947  1.00 1.70  1   BB 1 
HETATM 3025 O O7    . LIG_BB BB 30 .   ? -10.578 9.415   11.509  1.00 1.29  1   BB 1 
HETATM 3026 C C24   . LIG_BB BB 30 .   ? -10.430 10.471  10.824  1.00 1.29  1   BB 1 
HETATM 3027 O O8    . LIG_BB BB 30 .   ? -10.842 11.523  11.219  1.00 1.33  1   BB 1 
HETATM 3028 C C25   . LIG_BB BB 30 .   ? -9.737  10.372  9.631   1.00 1.30  1   BB 1 
HETATM 3029 C C26   . LIG_BB BB 30 .   ? -8.386  10.460  9.804   1.00 1.48  1   BB 1 
HETATM 3030 C C27   . LIG_BB BB 30 .   ? -7.646  10.826  8.817   1.00 1.47  1   BB 1 
HETATM 3031 C C28   . LIG_BB BB 30 .   ? -6.501  10.322  8.600   1.00 1.29  1   BB 1 
HETATM 3032 C C29   . LIG_BB BB 30 .   ? -5.640  10.581  7.791   1.00 1.26  1   BB 1 
HETATM 3033 C C30   . LIG_BB BB 30 .   ? -4.621  10.100  7.412   1.00 1.30  1   BB 1 
HETATM 3034 C C31   . LIG_BB BB 30 .   ? -3.632  9.888   6.934   1.00 1.28  1   BB 1 
HETATM 3035 C C32   . LIG_BB BB 30 .   ? -2.619  9.473   6.679   1.00 1.28  1   BB 1 
HETATM 3036 C C33   . LIG_BB BB 30 .   ? -1.562  9.184   6.578   1.00 1.26  1   BB 1 
HETATM 3037 C C34   . LIG_BB BB 30 .   ? -0.494  8.902   6.548   1.00 1.27  1   BB 1 
HETATM 3038 C C35   . LIG_BB BB 30 .   ? 0.586   8.680   6.788   1.00 1.27  1   BB 1 
HETATM 3039 C C36   . LIG_BB BB 30 .   ? 1.554   8.605   7.257   1.00 1.37  1   BB 1 
HETATM 3040 C C37   . LIG_BB BB 30 .   ? 2.591   8.416   7.749   1.00 1.46  1   BB 1 
HETATM 3041 C C38   . LIG_BB BB 30 .   ? 3.157   8.694   8.773   1.00 1.42  1   BB 1 
HETATM 3042 C C39   . LIG_BB BB 30 .   ? 4.241   8.426   9.322   1.00 1.35  1   BB 1 
HETATM 3043 C C40   . LIG_BB BB 30 .   ? 4.765   8.768   10.380  1.00 1.32  1   BB 1 
HETATM 3044 C C41   . LIG_BB BB 30 .   ? 5.952   8.471   10.851  1.00 1.27  1   BB 1 
HETATM 3045 C C1    . LIG_AC AC 31 .   ? 11.359  12.234  -7.509  1.00 1.80  1   AC 1 
HETATM 3046 C C2    . LIG_AC AC 31 .   ? 11.837  11.719  -6.756  1.00 1.91  1   AC 1 
HETATM 3047 C C3    . LIG_AC AC 31 .   ? 11.478  10.876  -6.144  1.00 1.73  1   AC 1 
HETATM 3048 C C4    . LIG_AC AC 31 .   ? 10.743  10.175  -5.760  1.00 2.00  1   AC 1 
HETATM 3049 C C5    . LIG_AC AC 31 .   ? 9.946   9.480   -5.403  1.00 1.88  1   AC 1 
HETATM 3050 C C6    . LIG_AC AC 31 .   ? 9.039   8.873   -5.122  1.00 1.78  1   AC 1 
HETATM 3051 C C7    . LIG_AC AC 31 .   ? 8.114   8.302   -4.881  1.00 1.65  1   AC 1 
HETATM 3052 C C8    . LIG_AC AC 31 .   ? 7.156   7.748   -4.670  1.00 1.74  1   AC 1 
HETATM 3053 C C9    . LIG_AC AC 31 .   ? 6.186   7.229   -4.486  1.00 1.81  1   AC 1 
HETATM 3054 C C10   . LIG_AC AC 31 .   ? 5.171   6.694   -4.317  1.00 1.95  1   AC 1 
HETATM 3055 C C11   . LIG_AC AC 31 .   ? 4.177   6.181   -4.160  1.00 1.85  1   AC 1 
HETATM 3056 C C12   . LIG_AC AC 31 .   ? 3.180   5.636   -4.017  1.00 2.01  1   AC 1 
HETATM 3057 C C13   . LIG_AC AC 31 .   ? 2.174   5.114   -3.905  1.00 1.61  1   AC 1 
HETATM 3058 C C14   . LIG_AC AC 31 .   ? 1.211   4.515   -3.804  1.00 1.65  1   AC 1 
HETATM 3059 C C15   . LIG_AC AC 31 .   ? 0.232   3.986   -3.713  1.00 1.74  1   AC 1 
HETATM 3060 C C16   . LIG_AC AC 31 .   ? -0.632  3.240   -3.615  1.00 1.82  1   AC 1 
HETATM 3061 C C17   . LIG_AC AC 31 .   ? -1.583  2.707   -3.661  1.00 1.48  1   AC 1 
HETATM 3062 C C18   . LIG_AC AC 31 .   ? -2.167  1.557   -3.558  1.00 1.77  1   AC 1 
HETATM 3063 O O1    . LIG_AC AC 31 .   ? -1.734  0.740   -2.849  1.00 2.31  1   AC 1 
HETATM 3064 O O2    . LIG_AC AC 31 .   ? -3.155  1.387   -4.259  1.00 2.04  1   AC 1 
HETATM 3065 C C19   . LIG_AC AC 31 .   ? -3.600  0.147   -4.424  1.00 1.61  1   AC 1 
HETATM 3066 C C20   . LIG_AC AC 31 .   ? -4.221  0.036   -5.731  1.00 1.92  1   AC 1 
HETATM 3067 C C21   . LIG_AC AC 31 .   ? -4.817  -1.278  -5.986  1.00 1.92  1   AC 1 
HETATM 3068 O O3    . LIG_AC AC 31 .   ? -4.010  -2.246  -5.621  1.00 2.17  1   AC 1 
HETATM 3069 P P1    . LIG_AC AC 31 .   ? -4.393  -3.684  -5.978  1.00 2.36  1   AC 1 
HETATM 3070 O O4    . LIG_AC AC 31 .   ? -5.826  -3.763  -6.134  1.00 2.21  1   AC 1 
HETATM 3071 O O5    . LIG_AC AC 31 .   ? -3.570  -4.187  -6.974  1.00 2.81  1   AC 1 
HETATM 3072 O O6    . LIG_AC AC 31 .   ? -3.987  -4.349  -4.680  1.00 2.41  1   AC 1 
HETATM 3073 C C22   . LIG_AC AC 31 .   ? -4.772  -4.626  -3.815  1.00 2.67  1   AC 1 
HETATM 3074 C C23   . LIG_AC AC 31 .   ? -4.261  -5.247  -2.723  1.00 2.95  1   AC 1 
HETATM 3075 N N1    . LIG_AC AC 31 .   ? -5.188  -5.437  -1.720  1.00 4.49  1   AC 1 
HETATM 3076 C C24   . LIG_AC AC 31 .   ? -6.321  -6.111  -2.252  1.00 3.09  1   AC 1 
HETATM 3077 C C25   . LIG_AC AC 31 .   ? -4.591  -6.221  -0.754  1.00 3.15  1   AC 1 
HETATM 3078 C C26   . LIG_AC AC 31 .   ? -5.577  -4.187  -1.212  1.00 3.26  1   AC 1 
HETATM 3079 O O7    . LIG_AC AC 31 .   ? -3.253  0.228   -6.703  1.00 2.05  1   AC 1 
HETATM 3080 C C27   . LIG_AC AC 31 .   ? -3.440  1.245   -7.427  1.00 1.87  1   AC 1 
HETATM 3081 O O8    . LIG_AC AC 31 .   ? -4.468  1.846   -7.416  1.00 1.80  1   AC 1 
HETATM 3082 C C28   . LIG_AC AC 31 .   ? -2.405  1.614   -8.096  1.00 1.57  1   AC 1 
HETATM 3083 C C29   . LIG_AC AC 31 .   ? -1.689  2.477   -8.178  1.00 1.72  1   AC 1 
HETATM 3084 C C30   . LIG_AC AC 31 .   ? -0.827  3.155   -8.409  1.00 1.70  1   AC 1 
HETATM 3085 C C31   . LIG_AC AC 31 .   ? 0.009   3.889   -8.540  1.00 1.59  1   AC 1 
HETATM 3086 C C32   . LIG_AC AC 31 .   ? 0.869   4.569   -8.720  1.00 1.67  1   AC 1 
HETATM 3087 C C33   . LIG_AC AC 31 .   ? 1.744   5.267   -8.855  1.00 1.62  1   AC 1 
HETATM 3088 C C34   . LIG_AC AC 31 .   ? 2.644   5.945   -9.021  1.00 1.59  1   AC 1 
HETATM 3089 C C35   . LIG_AC AC 31 .   ? 3.540   6.632   -9.158  1.00 1.53  1   AC 1 
HETATM 3090 C C36   . LIG_AC AC 31 .   ? 4.444   7.322   -9.289  1.00 1.71  1   AC 1 
HETATM 3091 C C37   . LIG_AC AC 31 .   ? 5.349   8.012   -9.398  1.00 1.76  1   AC 1 
HETATM 3092 C C38   . LIG_AC AC 31 .   ? 6.244   8.754   -9.437  1.00 1.57  1   AC 1 
HETATM 3093 C C39   . LIG_AC AC 31 .   ? 7.126   9.518   -9.435  1.00 1.59  1   AC 1 
HETATM 3094 C C40   . LIG_AC AC 31 .   ? 7.977   10.304  -9.372  1.00 1.73  1   AC 1 
HETATM 3095 C C41   . LIG_AC AC 31 .   ? 8.802   11.098  -9.251  1.00 1.47  1   AC 1 
HETATM 3096 C C42   . LIG_AC AC 31 .   ? 9.583   11.873  -9.121  1.00 1.49  1   AC 1 
HETATM 3097 C C43   . LIG_AC AC 31 .   ? 10.316  12.679  -9.025  1.00 1.34  1   AC 1 
HETATM 3098 C C44   . LIG_AC AC 31 .   ? 11.081  13.626  -9.007  1.00 1.38  1   AC 1 
HETATM 3099 C C1    . LIG_BC BC 32 .   ? 14.861  9.189   13.204  1.00 1.81  1   BC 1 
HETATM 3100 C C2    . LIG_BC BC 32 .   ? 14.594  8.315   13.179  1.00 2.04  1   BC 1 
HETATM 3101 C C3    . LIG_BC BC 32 .   ? 13.651  7.762   13.284  1.00 1.94  1   BC 1 
HETATM 3102 C C4    . LIG_BC BC 32 .   ? 12.616  7.578   13.452  1.00 2.25  1   BC 1 
HETATM 3103 C C5    . LIG_BC BC 32 .   ? 11.551  7.388   13.623  1.00 2.15  1   BC 1 
HETATM 3104 C C6    . LIG_BC BC 32 .   ? 10.484  7.282   13.822  1.00 1.95  1   BC 1 
HETATM 3105 C C7    . LIG_BC BC 32 .   ? 9.434   7.238   14.033  1.00 1.78  1   BC 1 
HETATM 3106 C C8    . LIG_BC BC 32 .   ? 8.411   7.316   14.298  1.00 1.86  1   BC 1 
HETATM 3107 C C9    . LIG_BC BC 32 .   ? 7.427   7.483   14.600  1.00 1.96  1   BC 1 
HETATM 3108 C C10   . LIG_BC BC 32 .   ? 6.427   7.719   14.988  1.00 2.01  1   BC 1 
HETATM 3109 C C11   . LIG_BC BC 32 .   ? 5.468   7.969   15.397  1.00 1.77  1   BC 1 
HETATM 3110 C C12   . LIG_BC BC 32 .   ? 4.488   8.187   15.835  1.00 1.87  1   BC 1 
HETATM 3111 C C13   . LIG_BC BC 32 .   ? 3.512   8.405   16.240  1.00 1.53  1   BC 1 
HETATM 3112 C C14   . LIG_BC BC 32 .   ? 2.500   8.546   16.670  1.00 1.50  1   BC 1 
HETATM 3113 C C15   . LIG_BC BC 32 .   ? 1.515   8.666   17.082  1.00 1.45  1   BC 1 
HETATM 3114 C C16   . LIG_BC BC 32 .   ? 0.499   8.605   17.578  1.00 1.40  1   BC 1 
HETATM 3115 C C17   . LIG_BC BC 32 .   ? -0.460  8.724   17.964  1.00 1.26  1   BC 1 
HETATM 3116 C C18   . LIG_BC BC 32 .   ? -1.498  8.369   18.621  1.00 1.33  1   BC 1 
HETATM 3117 O O1    . LIG_BC BC 32 .   ? -1.606  7.318   19.120  1.00 1.86  1   BC 1 
HETATM 3118 O O2    . LIG_BC BC 32 .   ? -2.319  9.235   18.650  1.00 1.53  1   BC 1 
HETATM 3119 C C19   . LIG_BC BC 32 .   ? -3.461  9.001   19.246  1.00 1.21  1   BC 1 
HETATM 3120 C C20   . LIG_BC BC 32 .   ? -4.212  10.235  19.304  1.00 1.24  1   BC 1 
HETATM 3121 C C21   . LIG_BC BC 32 .   ? -5.629  9.987   19.632  1.00 1.27  1   BC 1 
HETATM 3122 O O3    . LIG_BC BC 32 .   ? -5.827  10.286  20.906  1.00 1.29  1   BC 1 
HETATM 3123 P P1    . LIG_BC BC 32 .   ? -7.060  11.105  21.356  1.00 1.23  1   BC 1 
HETATM 3124 O O4    . LIG_BC BC 32 .   ? -7.697  10.338  22.387  1.00 1.16  1   BC 1 
HETATM 3125 O O5    . LIG_BC BC 32 .   ? -7.808  11.540  20.275  1.00 1.19  1   BC 1 
HETATM 3126 O O6    . LIG_BC BC 32 .   ? -6.375  12.279  22.053  1.00 1.33  1   BC 1 
HETATM 3127 C C22   . LIG_BC BC 32 .   ? -6.194  13.352  21.518  1.00 1.27  1   BC 1 
HETATM 3128 C C23   . LIG_BC BC 32 .   ? -5.856  14.345  22.240  1.00 1.22  1   BC 1 
HETATM 3129 N N1    . LIG_BC BC 32 .   ? -5.143  15.083  21.939  1.00 2.15  1   BC 1 
HETATM 3130 O O7    . LIG_BC BC 32 .   ? -4.213  10.847  18.059  1.00 1.38  1   BC 1 
HETATM 3131 C C24   . LIG_BC BC 32 .   ? -3.620  11.946  18.015  1.00 1.26  1   BC 1 
HETATM 3132 O O8    . LIG_BC BC 32 .   ? -3.297  12.521  19.000  1.00 1.47  1   BC 1 
HETATM 3133 C C25   . LIG_BC BC 32 .   ? -3.285  12.370  16.865  1.00 1.34  1   BC 1 
HETATM 3134 C C26   . LIG_BC BC 32 .   ? -2.270  12.714  16.467  1.00 1.51  1   BC 1 
HETATM 3135 C C27   . LIG_BC BC 32 .   ? -1.286  12.809  16.112  1.00 1.57  1   BC 1 
HETATM 3136 C C28   . LIG_BC BC 32 .   ? -0.215  12.888  15.793  1.00 1.42  1   BC 1 
HETATM 3137 C C29   . LIG_BC BC 32 .   ? 0.839   12.818  15.535  1.00 1.46  1   BC 1 
HETATM 3138 C C30   . LIG_BC BC 32 .   ? 1.904   12.717  15.301  1.00 1.54  1   BC 1 
HETATM 3139 C C31   . LIG_BC BC 32 .   ? 2.958   12.581  15.088  1.00 1.51  1   BC 1 
HETATM 3140 C C32   . LIG_BC BC 32 .   ? 4.004   12.467  14.880  1.00 1.61  1   BC 1 
HETATM 3141 C C33   . LIG_BC BC 32 .   ? 5.059   12.346  14.670  1.00 1.55  1   BC 1 
HETATM 3142 C C34   . LIG_BC BC 32 .   ? 6.124   12.224  14.431  1.00 1.54  1   BC 1 
HETATM 3143 C C35   . LIG_BC BC 32 .   ? 7.182   12.100  14.189  1.00 1.58  1   BC 1 
HETATM 3144 C C36   . LIG_BC BC 32 .   ? 8.256   11.966  13.947  1.00 1.67  1   BC 1 
HETATM 3145 C C37   . LIG_BC BC 32 .   ? 9.334   11.831  13.705  1.00 1.71  1   BC 1 
HETATM 3146 C C38   . LIG_BC BC 32 .   ? 10.425  11.677  13.476  1.00 1.50  1   BC 1 
HETATM 3147 C C39   . LIG_BC BC 32 .   ? 11.500  11.512  13.267  1.00 1.49  1   BC 1 
HETATM 3148 C C40   . LIG_BC BC 32 .   ? 12.537  11.321  13.094  1.00 1.55  1   BC 1 
HETATM 3149 C C41   . LIG_BC BC 32 .   ? 13.571  11.174  12.935  1.00 1.40  1   BC 1 
HETATM 3150 C C1    . LIG_AD AD 33 .   ? 15.990  9.064   -21.518 1.00 2.11  1   AD 1 
HETATM 3151 C C2    . LIG_AD AD 33 .   ? 16.789  9.800   -21.592 1.00 2.42  1   AD 1 
HETATM 3152 C C3    . LIG_AD AD 33 .   ? 17.854  9.726   -21.335 1.00 2.18  1   AD 1 
HETATM 3153 C C4    . LIG_AD AD 33 .   ? 18.658  9.131   -20.942 1.00 2.51  1   AD 1 
HETATM 3154 C C5    . LIG_AD AD 33 .   ? 19.324  8.355   -20.548 1.00 2.12  1   AD 1 
HETATM 3155 C C6    . LIG_AD AD 33 .   ? 19.664  7.370   -20.203 1.00 1.83  1   AD 1 
HETATM 3156 C C7    . LIG_AD AD 33 .   ? 19.813  6.351   -19.930 1.00 1.76  1   AD 1 
HETATM 3157 C C8    . LIG_AD AD 33 .   ? 19.837  5.297   -19.691 1.00 1.75  1   AD 1 
HETATM 3158 C C9    . LIG_AD AD 33 .   ? 19.788  4.274   -19.429 1.00 1.83  1   AD 1 
HETATM 3159 C C10   . LIG_AD AD 33 .   ? 19.721  3.219   -19.100 1.00 1.88  1   AD 1 
HETATM 3160 C C11   . LIG_AD AD 33 .   ? 19.679  2.224   -18.726 1.00 1.69  1   AD 1 
HETATM 3161 C C12   . LIG_AD AD 33 .   ? 19.675  1.228   -18.300 1.00 1.70  1   AD 1 
HETATM 3162 C C13   . LIG_AD AD 33 .   ? 19.702  0.266   -17.830 1.00 1.38  1   AD 1 
HETATM 3163 C C14   . LIG_AD AD 33 .   ? 19.805  -0.714  -17.344 1.00 1.38  1   AD 1 
HETATM 3164 C C15   . LIG_AD AD 33 .   ? 19.874  -1.673  -16.869 1.00 1.35  1   AD 1 
HETATM 3165 C C16   . LIG_AD AD 33 .   ? 20.110  -2.690  -16.440 1.00 1.31  1   AD 1 
HETATM 3166 C C17   . LIG_AD AD 33 .   ? 20.057  -3.651  -16.001 1.00 1.22  1   AD 1 
HETATM 3167 C C18   . LIG_AD AD 33 .   ? 20.686  -4.706  -15.693 1.00 1.30  1   AD 1 
HETATM 3168 O O1    . LIG_AD AD 33 .   ? 21.847  -4.752  -15.791 1.00 1.76  1   AD 1 
HETATM 3169 O O2    . LIG_AD AD 33 .   ? 19.981  -5.615  -15.300 1.00 1.63  1   AD 1 
HETATM 3170 C C19   . LIG_AD AD 33 .   ? 20.576  -6.726  -14.977 1.00 1.21  1   AD 1 
HETATM 3171 C C20   . LIG_AD AD 33 .   ? 19.876  -7.906  -15.424 1.00 1.23  1   AD 1 
HETATM 3172 C C21   . LIG_AD AD 33 .   ? 20.602  -9.149  -15.055 1.00 1.29  1   AD 1 
HETATM 3173 O O3    . LIG_AD AD 33 .   ? 20.968  -9.093  -13.798 1.00 1.38  1   AD 1 
HETATM 3174 P P1    . LIG_AD AD 33 .   ? 22.125  -9.994  -13.257 1.00 1.35  1   AD 1 
HETATM 3175 O O4    . LIG_AD AD 33 .   ? 22.404  -11.035 -14.162 1.00 1.23  1   AD 1 
HETATM 3176 O O5    . LIG_AD AD 33 .   ? 21.799  -10.309 -11.912 1.00 1.21  1   AD 1 
HETATM 3177 O O6    . LIG_AD AD 33 .   ? 23.275  -8.981  -13.209 1.00 1.46  1   AD 1 
HETATM 3178 C C22   . LIG_AD AD 33 .   ? 24.034  -8.715  -14.159 1.00 1.42  1   AD 1 
HETATM 3179 C C23   . LIG_AD AD 33 .   ? 25.158  -7.932  -13.876 1.00 1.38  1   AD 1 
HETATM 3180 N N1    . LIG_AD AD 33 .   ? 25.395  -6.868  -14.717 1.00 2.28  1   AD 1 
HETATM 3181 C C24   . LIG_AD AD 33 .   ? 24.325  -5.973  -14.619 1.00 1.47  1   AD 1 
HETATM 3182 C C25   . LIG_AD AD 33 .   ? 26.575  -6.249  -14.317 1.00 1.52  1   AD 1 
HETATM 3183 C C26   . LIG_AD AD 33 .   ? 25.471  -7.308  -16.040 1.00 1.58  1   AD 1 
HETATM 3184 O O7    . LIG_AD AD 33 .   ? 19.831  -7.920  -16.790 1.00 1.42  1   AD 1 
HETATM 3185 C C27   . LIG_AD AD 33 .   ? 18.729  -7.715  -17.294 1.00 1.44  1   AD 1 
HETATM 3186 O O8    . LIG_AD AD 33 .   ? 17.766  -7.452  -16.651 1.00 1.49  1   AD 1 
HETATM 3187 C C28   . LIG_AD AD 33 .   ? 18.715  -7.719  -18.575 1.00 1.31  1   AD 1 
HETATM 3188 C C29   . LIG_AD AD 33 .   ? 18.346  -6.869  -19.243 1.00 1.44  1   AD 1 
HETATM 3189 C C30   . LIG_AD AD 33 .   ? 18.100  -5.834  -19.431 1.00 1.43  1   AD 1 
HETATM 3190 C C31   . LIG_AD AD 33 .   ? 17.811  -4.806  -19.719 1.00 1.45  1   AD 1 
HETATM 3191 C C32   . LIG_AD AD 33 .   ? 17.543  -3.765  -19.858 1.00 1.62  1   AD 1 
HETATM 3192 C C33   . LIG_AD AD 33 .   ? 17.231  -2.732  -20.021 1.00 1.56  1   AD 1 
HETATM 3193 C C34   . LIG_AD AD 33 .   ? 16.889  -1.705  -20.134 1.00 1.52  1   AD 1 
HETATM 3194 C C35   . LIG_AD AD 33 .   ? 16.523  -0.675  -20.270 1.00 1.60  1   AD 1 
HETATM 3195 C C36   . LIG_AD AD 33 .   ? 16.163  0.370   -20.383 1.00 1.69  1   AD 1 
HETATM 3196 C C37   . LIG_AD AD 33 .   ? 15.835  1.435   -20.491 1.00 1.74  1   AD 1 
HETATM 3197 C C38   . LIG_AD AD 33 .   ? 15.557  2.518   -20.609 1.00 1.57  1   AD 1 
HETATM 3198 C C39   . LIG_AD AD 33 .   ? 15.308  3.620   -20.752 1.00 1.65  1   AD 1 
HETATM 3199 C C40   . LIG_AD AD 33 .   ? 15.088  4.711   -20.914 1.00 2.00  1   AD 1 
HETATM 3200 C C41   . LIG_AD AD 33 .   ? 14.889  5.809   -21.086 1.00 1.69  1   AD 1 
HETATM 3201 C C42   . LIG_AD AD 33 .   ? 14.631  6.828   -21.263 1.00 1.73  1   AD 1 
HETATM 3202 C C43   . LIG_AD AD 33 .   ? 14.296  7.836   -21.434 1.00 1.43  1   AD 1 
HETATM 3203 C C44   . LIG_AD AD 33 .   ? 13.715  8.868   -21.636 1.00 1.47  1   AD 1 
HETATM 3204 C C1    . LIG_BD BD 34 .   ? 6.486   24.776  -11.134 1.00 1.29  1   BD 1 
HETATM 3205 C C2    . LIG_BD BD 34 .   ? 5.299   24.775  -11.318 1.00 1.33  1   BD 1 
HETATM 3206 C C3    . LIG_BD BD 34 .   ? 4.332   24.804  -11.807 1.00 1.30  1   BD 1 
HETATM 3207 C C4    . LIG_BD BD 34 .   ? 3.228   24.772  -11.914 1.00 1.34  1   BD 1 
HETATM 3208 C C5    . LIG_BD BD 34 .   ? 2.162   24.868  -12.308 1.00 1.37  1   BD 1 
HETATM 3209 C C6    . LIG_BD BD 34 .   ? 1.076   24.924  -12.026 1.00 1.38  1   BD 1 
HETATM 3210 C C7    . LIG_BD BD 34 .   ? -0.003  25.075  -12.047 1.00 1.32  1   BD 1 
HETATM 3211 C C8    . LIG_BD BD 34 .   ? -1.052  25.238  -11.748 1.00 1.36  1   BD 1 
HETATM 3212 C C9    . LIG_BD BD 34 .   ? -2.099  25.452  -11.672 1.00 1.35  1   BD 1 
HETATM 3213 C C10   . LIG_BD BD 34 .   ? -3.152  25.575  -11.474 1.00 1.39  1   BD 1 
HETATM 3214 C C11   . LIG_BD BD 34 .   ? -4.194  25.648  -11.302 1.00 1.42  1   BD 1 
HETATM 3215 C C12   . LIG_BD BD 34 .   ? -5.256  25.445  -11.207 1.00 1.46  1   BD 1 
HETATM 3216 C C13   . LIG_BD BD 34 .   ? -6.249  25.168  -10.789 1.00 1.36  1   BD 1 
HETATM 3217 C C14   . LIG_BD BD 34 .   ? -7.399  25.059  -10.877 1.00 1.34  1   BD 1 
HETATM 3218 C C15   . LIG_BD BD 34 .   ? -8.350  24.665  -10.332 1.00 1.29  1   BD 1 
HETATM 3219 C C16   . LIG_BD BD 34 .   ? -9.588  24.843  -10.465 1.00 1.31  1   BD 1 
HETATM 3220 C C17   . LIG_BD BD 34 .   ? -10.313 24.255  -11.268 1.00 1.21  1   BD 1 
HETATM 3221 C C18   . LIG_BD BD 34 .   ? -11.609 24.379  -11.466 1.00 1.22  1   BD 1 
HETATM 3222 O O1    . LIG_BD BD 34 .   ? -12.374 23.645  -10.954 1.00 1.49  1   BD 1 
HETATM 3223 O O2    . LIG_BD BD 34 .   ? -11.912 25.319  -12.180 1.00 1.36  1   BD 1 
HETATM 3224 C C19   . LIG_BD BD 34 .   ? -13.147 25.406  -12.589 1.00 1.18  1   BD 1 
HETATM 3225 C C20   . LIG_BD BD 34 .   ? -13.939 26.372  -11.839 1.00 1.23  1   BD 1 
HETATM 3226 C C21   . LIG_BD BD 34 .   ? -15.077 26.801  -12.707 1.00 1.25  1   BD 1 
HETATM 3227 O O3    . LIG_BD BD 34 .   ? -15.865 27.592  -11.983 1.00 1.23  1   BD 1 
HETATM 3228 P P1    . LIG_BD BD 34 .   ? -17.062 28.344  -12.586 1.00 1.25  1   BD 1 
HETATM 3229 O O4    . LIG_BD BD 34 .   ? -18.125 27.423  -12.823 1.00 1.17  1   BD 1 
HETATM 3230 O O5    . LIG_BD BD 34 .   ? -17.309 29.426  -11.726 1.00 1.15  1   BD 1 
HETATM 3231 O O6    . LIG_BD BD 34 .   ? -16.514 28.844  -13.930 1.00 1.22  1   BD 1 
HETATM 3232 C C22   . LIG_BD BD 34 .   ? -17.066 29.789  -14.527 1.00 1.20  1   BD 1 
HETATM 3233 C C23   . LIG_BD BD 34 .   ? -16.521 30.085  -15.763 1.00 1.19  1   BD 1 
HETATM 3234 N N1    . LIG_BD BD 34 .   ? -16.876 31.204  -16.262 1.00 1.55  1   BD 1 
HETATM 3235 O O7    . LIG_BD BD 34 .   ? -13.179 27.492  -11.541 1.00 1.18  1   BD 1 
HETATM 3236 C C24   . LIG_BD BD 34 .   ? -12.950 27.728  -10.309 1.00 1.23  1   BD 1 
HETATM 3237 O O8    . LIG_BD BD 34 .   ? -13.237 26.951  -9.450  1.00 1.28  1   BD 1 
HETATM 3238 C C25   . LIG_BD BD 34 .   ? -12.313 28.906  -10.018 1.00 1.25  1   BD 1 
HETATM 3239 C C26   . LIG_BD BD 34 .   ? -10.976 28.691  -9.812  1.00 1.36  1   BD 1 
HETATM 3240 C C27   . LIG_BD BD 34 .   ? -10.288 29.599  -9.258  1.00 1.33  1   BD 1 
HETATM 3241 C C28   . LIG_BD BD 34 .   ? -9.055  29.467  -9.053  1.00 1.23  1   BD 1 
HETATM 3242 C C29   . LIG_BD BD 34 .   ? -8.335  29.648  -8.164  1.00 1.26  1   BD 1 
HETATM 3243 C C30   . LIG_BD BD 34 .   ? -7.331  29.585  -7.695  1.00 1.27  1   BD 1 
HETATM 3244 C C31   . LIG_BD BD 34 .   ? -6.571  29.620  -6.854  1.00 1.24  1   BD 1 
HETATM 3245 C C32   . LIG_BD BD 34 .   ? -5.593  29.386  -6.413  1.00 1.26  1   BD 1 
HETATM 3246 C C33   . LIG_BD BD 34 .   ? -4.744  29.175  -5.825  1.00 1.27  1   BD 1 
HETATM 3247 C C34   . LIG_BD BD 34 .   ? -3.684  28.919  -5.606  1.00 1.25  1   BD 1 
HETATM 3248 C C35   . LIG_BD BD 34 .   ? -2.681  28.711  -6.001  1.00 1.24  1   BD 1 
HETATM 3249 C C36   . LIG_BD BD 34 .   ? -1.593  28.644  -6.019  1.00 1.32  1   BD 1 
HETATM 3250 C C37   . LIG_BD BD 34 .   ? -0.555  28.605  -6.248  1.00 1.41  1   BD 1 
HETATM 3251 C C38   . LIG_BD BD 34 .   ? 0.542   28.661  -6.181  1.00 1.35  1   BD 1 
HETATM 3252 C C39   . LIG_BD BD 34 .   ? 1.582   28.585  -5.808  1.00 1.30  1   BD 1 
HETATM 3253 C C40   . LIG_BD BD 34 .   ? 2.691   28.667  -5.732  1.00 1.31  1   BD 1 
HETATM 3254 C C41   . LIG_BD BD 34 .   ? 3.747   28.464  -5.171  1.00 1.22  1   BD 1 
HETATM 3255 C C1    . LIG_AE AE 35 .   ? 11.818  20.438  -11.555 1.00 1.83  1   AE 1 
HETATM 3256 C C2    . LIG_AE AE 35 .   ? 12.383  21.180  -12.090 1.00 2.19  1   AE 1 
HETATM 3257 C C3    . LIG_AE AE 35 .   ? 12.841  22.102  -12.528 1.00 1.95  1   AE 1 
HETATM 3258 C C4    . LIG_AE AE 35 .   ? 13.302  23.011  -12.953 1.00 2.27  1   AE 1 
HETATM 3259 C C5    . LIG_AE AE 35 .   ? 13.737  23.946  -13.383 1.00 1.92  1   AE 1 
HETATM 3260 C C6    . LIG_AE AE 35 .   ? 14.154  24.879  -13.822 1.00 1.77  1   AE 1 
HETATM 3261 C C7    . LIG_AE AE 35 .   ? 14.541  25.793  -14.246 1.00 1.72  1   AE 1 
HETATM 3262 C C8    . LIG_AE AE 35 .   ? 14.889  26.732  -14.666 1.00 1.72  1   AE 1 
HETATM 3263 C C9    . LIG_AE AE 35 .   ? 15.159  27.679  -15.050 1.00 1.76  1   AE 1 
HETATM 3264 C C10   . LIG_AE AE 35 .   ? 15.337  28.709  -15.417 1.00 1.73  1   AE 1 
HETATM 3265 C C11   . LIG_AE AE 35 .   ? 15.383  29.755  -15.717 1.00 1.77  1   AE 1 
HETATM 3266 C C12   . LIG_AE AE 35 .   ? 15.291  30.805  -15.959 1.00 1.81  1   AE 1 
HETATM 3267 C C13   . LIG_AE AE 35 .   ? 15.098  31.833  -16.198 1.00 1.51  1   AE 1 
HETATM 3268 C C14   . LIG_AE AE 35 .   ? 14.738  32.833  -16.399 1.00 1.43  1   AE 1 
HETATM 3269 C C15   . LIG_AE AE 35 .   ? 14.345  33.802  -16.627 1.00 1.39  1   AE 1 
HETATM 3270 C C16   . LIG_AE AE 35 .   ? 13.721  34.710  -16.809 1.00 1.38  1   AE 1 
HETATM 3271 C C17   . LIG_AE AE 35 .   ? 13.189  35.569  -17.099 1.00 1.25  1   AE 1 
HETATM 3272 C C18   . LIG_AE AE 35 .   ? 12.245  36.386  -17.144 1.00 1.26  1   AE 1 
HETATM 3273 O O1    . LIG_AE AE 35 .   ? 12.300  37.310  -17.864 1.00 1.61  1   AE 1 
HETATM 3274 O O2    . LIG_AE AE 35 .   ? 11.290  36.084  -16.437 1.00 1.47  1   AE 1 
HETATM 3275 C C19   . LIG_AE AE 35 .   ? 10.278  36.893  -16.381 1.00 1.25  1   AE 1 
HETATM 3276 C C20   . LIG_AE AE 35 .   ? 9.257   36.461  -15.475 1.00 1.28  1   AE 1 
HETATM 3277 C C21   . LIG_AE AE 35 .   ? 8.802   37.582  -14.646 1.00 1.37  1   AE 1 
HETATM 3278 O O3    . LIG_AE AE 35 .   ? 8.255   38.501  -15.372 1.00 1.30  1   AE 1 
HETATM 3279 P P1    . LIG_AE AE 35 .   ? 7.508   39.636  -14.700 1.00 1.38  1   AE 1 
HETATM 3280 O O4    . LIG_AE AE 35 .   ? 7.710   39.601  -13.312 1.00 1.24  1   AE 1 
HETATM 3281 O O5    . LIG_AE AE 35 .   ? 7.717   40.798  -15.442 1.00 1.20  1   AE 1 
HETATM 3282 O O6    . LIG_AE AE 35 .   ? 6.098   39.097  -15.027 1.00 1.33  1   AE 1 
HETATM 3283 C C22   . LIG_AE AE 35 .   ? 5.098   39.160  -14.330 1.00 1.35  1   AE 1 
HETATM 3284 C C23   . LIG_AE AE 35 .   ? 3.989   38.804  -15.042 1.00 1.36  1   AE 1 
HETATM 3285 N N1    . LIG_AE AE 35 .   ? 2.854   39.437  -14.725 1.00 1.87  1   AE 1 
HETATM 3286 C C24   . LIG_AE AE 35 .   ? 3.079   40.771  -14.298 1.00 1.35  1   AE 1 
HETATM 3287 C C25   . LIG_AE AE 35 .   ? 2.252   38.698  -13.708 1.00 1.44  1   AE 1 
HETATM 3288 C C26   . LIG_AE AE 35 .   ? 2.035   39.462  -15.859 1.00 1.46  1   AE 1 
HETATM 3289 O O7    . LIG_AE AE 35 .   ? 9.729   35.540  -14.609 1.00 1.44  1   AE 1 
HETATM 3290 C C27   . LIG_AE AE 35 .   ? 8.925   34.657  -14.365 1.00 1.44  1   AE 1 
HETATM 3291 O O8    . LIG_AE AE 35 .   ? 7.801   34.664  -14.719 1.00 1.45  1   AE 1 
HETATM 3292 C C28   . LIG_AE AE 35 .   ? 9.413   33.704  -13.731 1.00 1.31  1   AE 1 
HETATM 3293 C C29   . LIG_AE AE 35 .   ? 9.304   32.711  -13.425 1.00 1.38  1   AE 1 
HETATM 3294 C C30   . LIG_AE AE 35 .   ? 9.529   31.743  -13.030 1.00 1.38  1   AE 1 
HETATM 3295 C C31   . LIG_AE AE 35 .   ? 9.676   30.758  -12.686 1.00 1.36  1   AE 1 
HETATM 3296 C C32   . LIG_AE AE 35 .   ? 9.886   29.784  -12.314 1.00 1.52  1   AE 1 
HETATM 3297 C C33   . LIG_AE AE 35 .   ? 10.070  28.810  -11.952 1.00 1.47  1   AE 1 
HETATM 3298 C C34   . LIG_AE AE 35 .   ? 10.221  27.815  -11.589 1.00 1.51  1   AE 1 
HETATM 3299 C C35   . LIG_AE AE 35 .   ? 10.287  26.811  -11.238 1.00 1.55  1   AE 1 
HETATM 3300 C C36   . LIG_AE AE 35 .   ? 10.270  25.797  -10.907 1.00 1.65  1   AE 1 
HETATM 3301 C C37   . LIG_AE AE 35 .   ? 10.180  24.772  -10.607 1.00 1.68  1   AE 1 
HETATM 3302 C C38   . LIG_AE AE 35 .   ? 10.055  23.742  -10.336 1.00 1.53  1   AE 1 
HETATM 3303 C C39   . LIG_AE AE 35 .   ? 9.942   22.685  -10.116 1.00 1.54  1   AE 1 
HETATM 3304 C C40   . LIG_AE AE 35 .   ? 9.876   21.627  -9.961  1.00 1.73  1   AE 1 
HETATM 3305 C C41   . LIG_AE AE 35 .   ? 9.865   20.553  -9.862  1.00 1.48  1   AE 1 
HETATM 3306 C C42   . LIG_AE AE 35 .   ? 9.882   19.547  -9.807  1.00 1.51  1   AE 1 
HETATM 3307 C C43   . LIG_AE AE 35 .   ? 9.871   18.523  -9.714  1.00 1.35  1   AE 1 
HETATM 3308 C C44   . LIG_AE AE 35 .   ? 9.827   17.443  -9.587  1.00 1.39  1   AE 1 
HETATM 3309 C C1    . LIG_BE BE 36 .   ? 14.494  -0.071  -8.527  1.00 1.91  1   BE 1 
HETATM 3310 C C2    . LIG_BE BE 36 .   ? 14.014  0.572   -9.291  1.00 2.10  1   BE 1 
HETATM 3311 C C3    . LIG_BE BE 36 .   ? 14.196  1.615   -9.416  1.00 1.93  1   BE 1 
HETATM 3312 C C4    . LIG_BE BE 36 .   ? 14.844  2.395   -9.051  1.00 2.21  1   BE 1 
HETATM 3313 C C5    . LIG_BE BE 36 .   ? 15.596  3.019   -8.583  1.00 2.06  1   BE 1 
HETATM 3314 C C6    . LIG_BE BE 36 .   ? 16.456  3.445   -8.032  1.00 1.87  1   BE 1 
HETATM 3315 C C7    . LIG_BE BE 36 .   ? 17.344  3.685   -7.478  1.00 1.82  1   BE 1 
HETATM 3316 C C8    . LIG_BE BE 36 .   ? 18.283  3.781   -6.938  1.00 1.88  1   BE 1 
HETATM 3317 C C9    . LIG_BE BE 36 .   ? 19.249  3.788   -6.463  1.00 2.00  1   BE 1 
HETATM 3318 C C10   . LIG_BE BE 36 .   ? 20.267  3.763   -5.996  1.00 1.99  1   BE 1 
HETATM 3319 C C11   . LIG_BE BE 36 .   ? 21.264  3.682   -5.537  1.00 1.74  1   BE 1 
HETATM 3320 C C12   . LIG_BE BE 36 .   ? 22.258  3.563   -5.050  1.00 1.82  1   BE 1 
HETATM 3321 C C13   . LIG_BE BE 36 .   ? 23.211  3.427   -4.537  1.00 1.46  1   BE 1 
HETATM 3322 C C14   . LIG_BE BE 36 .   ? 24.158  3.256   -3.958  1.00 1.45  1   BE 1 
HETATM 3323 C C15   . LIG_BE BE 36 .   ? 25.016  3.104   -3.333  1.00 1.43  1   BE 1 
HETATM 3324 C C16   . LIG_BE BE 36 .   ? 25.911  2.896   -2.639  1.00 1.40  1   BE 1 
HETATM 3325 C C17   . LIG_BE BE 36 .   ? 26.536  2.835   -1.808  1.00 1.26  1   BE 1 
HETATM 3326 C C18   . LIG_BE BE 36 .   ? 27.500  2.444   -1.082  1.00 1.33  1   BE 1 
HETATM 3327 O O1    . LIG_BE BE 36 .   ? 28.524  2.160   -1.559  1.00 1.76  1   BE 1 
HETATM 3328 O O2    . LIG_BE BE 36 .   ? 27.213  2.393   0.112   1.00 1.64  1   BE 1 
HETATM 3329 C C19   . LIG_BE BE 36 .   ? 28.006  1.707   0.830   1.00 1.30  1   BE 1 
HETATM 3330 C C20   . LIG_BE BE 36 .   ? 28.147  2.097   2.182   1.00 1.33  1   BE 1 
HETATM 3331 C C21   . LIG_BE BE 36 .   ? 29.145  1.188   2.801   1.00 1.39  1   BE 1 
HETATM 3332 O O3    . LIG_BE BE 36 .   ? 29.033  -0.041  2.265   1.00 1.39  1   BE 1 
HETATM 3333 P P1    . LIG_BE BE 36 .   ? 30.188  -1.094  2.320   1.00 1.41  1   BE 1 
HETATM 3334 O O4    . LIG_BE BE 36 .   ? 30.321  -1.540  3.664   1.00 1.26  1   BE 1 
HETATM 3335 O O5    . LIG_BE BE 36 .   ? 31.314  -0.610  1.697   1.00 1.23  1   BE 1 
HETATM 3336 O O6    . LIG_BE BE 36 .   ? 29.497  -2.231  1.528   1.00 1.46  1   BE 1 
HETATM 3337 C C22   . LIG_BE BE 36 .   ? 29.313  -2.166  0.293   1.00 1.37  1   BE 1 
HETATM 3338 C C23   . LIG_BE BE 36 .   ? 28.590  -3.064  -0.322  1.00 1.30  1   BE 1 
HETATM 3339 N N1    . LIG_BE BE 36 .   ? 28.087  -2.900  -1.386  1.00 2.16  1   BE 1 
HETATM 3340 O O7    . LIG_BE BE 36 .   ? 26.947  1.975   2.804   1.00 1.51  1   BE 1 
HETATM 3341 C C24   . LIG_BE BE 36 .   ? 26.871  2.240   4.031   1.00 1.40  1   BE 1 
HETATM 3342 O O8    . LIG_BE BE 36 .   ? 27.529  1.766   4.870   1.00 1.54  1   BE 1 
HETATM 3343 C C25   . LIG_BE BE 36 .   ? 25.892  2.951   4.350   1.00 1.51  1   BE 1 
HETATM 3344 C C26   . LIG_BE BE 36 .   ? 24.959  3.330   4.036   1.00 1.78  1   BE 1 
HETATM 3345 C C27   . LIG_BE BE 36 .   ? 23.996  3.726   3.824   1.00 1.88  1   BE 1 
HETATM 3346 C C28   . LIG_BE BE 36 .   ? 23.023  3.987   3.462   1.00 1.69  1   BE 1 
HETATM 3347 C C29   . LIG_BE BE 36 .   ? 22.034  4.207   3.107   1.00 1.75  1   BE 1 
HETATM 3348 C C30   . LIG_BE BE 36 .   ? 21.044  4.320   2.664   1.00 1.76  1   BE 1 
HETATM 3349 C C31   . LIG_BE BE 36 .   ? 20.057  4.332   2.215   1.00 1.73  1   BE 1 
HETATM 3350 C C32   . LIG_BE BE 36 .   ? 19.094  4.258   1.721   1.00 1.89  1   BE 1 
HETATM 3351 C C33   . LIG_BE BE 36 .   ? 18.179  4.070   1.183   1.00 1.80  1   BE 1 
HETATM 3352 C C34   . LIG_BE BE 36 .   ? 17.336  3.775   0.558   1.00 1.78  1   BE 1 
HETATM 3353 C C35   . LIG_BE BE 36 .   ? 16.645  3.398   -0.191  1.00 1.80  1   BE 1 
HETATM 3354 C C36   . LIG_BE BE 36 .   ? 16.078  2.965   -1.052  1.00 2.02  1   BE 1 
HETATM 3355 C C37   . LIG_BE BE 36 .   ? 15.631  2.484   -1.985  1.00 1.95  1   BE 1 
HETATM 3356 C C38   . LIG_BE BE 36 .   ? 15.280  1.947   -2.943  1.00 1.60  1   BE 1 
HETATM 3357 C C39   . LIG_BE BE 36 .   ? 15.003  1.372   -3.877  1.00 1.66  1   BE 1 
HETATM 3358 C C40   . LIG_BE BE 36 .   ? 14.787  0.790   -4.792  1.00 1.71  1   BE 1 
HETATM 3359 C C41   . LIG_BE BE 36 .   ? 14.675  0.166   -5.624  1.00 1.50  1   BE 1 
HETATM 3360 C C1    . LIG_AF AF 37 .   ? 15.205  13.364  -7.783  1.00 1.78  1   AF 1 
HETATM 3361 C C2    . LIG_AF AF 37 .   ? 15.174  12.438  -7.532  1.00 2.02  1   AF 1 
HETATM 3362 C C3    . LIG_AF AF 37 .   ? 15.476  11.447  -7.245  1.00 1.85  1   AF 1 
HETATM 3363 C C4    . LIG_AF AF 37 .   ? 15.881  10.501  -7.089  1.00 2.14  1   AF 1 
HETATM 3364 C C5    . LIG_AF AF 37 .   ? 16.420  9.588   -7.005  1.00 1.89  1   AF 1 
HETATM 3365 C C6    . LIG_AF AF 37 .   ? 17.169  8.847   -7.155  1.00 1.81  1   AF 1 
HETATM 3366 C C7    . LIG_AF AF 37 .   ? 18.002  8.329   -7.511  1.00 1.74  1   AF 1 
HETATM 3367 C C8    . LIG_AF AF 37 .   ? 18.872  7.952   -7.978  1.00 1.81  1   AF 1 
HETATM 3368 C C9    . LIG_AF AF 37 .   ? 19.736  7.596   -8.436  1.00 1.81  1   AF 1 
HETATM 3369 C C10   . LIG_AF AF 37 .   ? 20.638  7.183   -8.882  1.00 1.83  1   AF 1 
HETATM 3370 C C11   . LIG_AF AF 37 .   ? 21.505  6.669   -9.192  1.00 1.68  1   AF 1 
HETATM 3371 C C12   . LIG_AF AF 37 .   ? 22.325  6.028   -9.388  1.00 1.67  1   AF 1 
HETATM 3372 C C13   . LIG_AF AF 37 .   ? 23.037  5.256   -9.470  1.00 1.41  1   AF 1 
HETATM 3373 C C14   . LIG_AF AF 37 .   ? 23.743  4.465   -9.416  1.00 1.39  1   AF 1 
HETATM 3374 C C15   . LIG_AF AF 37 .   ? 24.357  3.598   -9.328  1.00 1.38  1   AF 1 
HETATM 3375 C C16   . LIG_AF AF 37 .   ? 25.094  2.805   -9.084  1.00 1.34  1   AF 1 
HETATM 3376 C C17   . LIG_AF AF 37 .   ? 25.667  1.878   -8.903  1.00 1.23  1   AF 1 
HETATM 3377 C C18   . LIG_AF AF 37 .   ? 26.677  1.474   -8.249  1.00 1.27  1   AF 1 
HETATM 3378 O O1    . LIG_AF AF 37 .   ? 27.012  0.365   -8.187  1.00 1.68  1   AF 1 
HETATM 3379 O O2    . LIG_AF AF 37 .   ? 27.191  2.407   -7.695  1.00 1.58  1   AF 1 
HETATM 3380 C C19   . LIG_AF AF 37 .   ? 28.262  2.228   -7.003  1.00 1.24  1   AF 1 
HETATM 3381 C C20   . LIG_AF AF 37 .   ? 29.153  3.357   -7.109  1.00 1.26  1   AF 1 
HETATM 3382 C C21   . LIG_AF AF 37 .   ? 30.090  3.345   -6.007  1.00 1.28  1   AF 1 
HETATM 3383 O O3    . LIG_AF AF 37 .   ? 31.108  2.608   -6.338  1.00 1.32  1   AF 1 
HETATM 3384 P P1    . LIG_AF AF 37 .   ? 32.400  2.643   -5.517  1.00 1.28  1   AF 1 
HETATM 3385 O O4    . LIG_AF AF 37 .   ? 33.397  2.024   -6.311  1.00 1.22  1   AF 1 
HETATM 3386 O O5    . LIG_AF AF 37 .   ? 32.132  2.143   -4.237  1.00 1.19  1   AF 1 
HETATM 3387 O O6    . LIG_AF AF 37 .   ? 32.596  4.147   -5.383  1.00 1.33  1   AF 1 
HETATM 3388 C C22   . LIG_AF AF 37 .   ? 33.304  4.860   -6.158  1.00 1.32  1   AF 1 
HETATM 3389 C C23   . LIG_AF AF 37 .   ? 33.187  6.257   -5.920  1.00 1.30  1   AF 1 
HETATM 3390 N N1    . LIG_AF AF 37 .   ? 33.079  7.062   -7.038  1.00 1.99  1   AF 1 
HETATM 3391 C C24   . LIG_AF AF 37 .   ? 34.228  6.917   -7.850  1.00 1.34  1   AF 1 
HETATM 3392 C C25   . LIG_AF AF 37 .   ? 32.940  8.368   -6.598  1.00 1.37  1   AF 1 
HETATM 3393 C C26   . LIG_AF AF 37 .   ? 31.936  6.705   -7.789  1.00 1.40  1   AF 1 
HETATM 3394 O O7    . LIG_AF AF 37 .   ? 28.445  4.527   -7.008  1.00 1.44  1   AF 1 
HETATM 3395 C C27   . LIG_AF AF 37 .   ? 28.470  5.259   -8.011  1.00 1.42  1   AF 1 
HETATM 3396 O O8    . LIG_AF AF 37 .   ? 29.047  5.001   -9.003  1.00 1.50  1   AF 1 
HETATM 3397 C C28   . LIG_AF AF 37 .   ? 27.754  6.283   -7.863  1.00 1.33  1   AF 1 
HETATM 3398 C C29   . LIG_AF AF 37 .   ? 27.197  7.066   -8.253  1.00 1.40  1   AF 1 
HETATM 3399 C C30   . LIG_AF AF 37 .   ? 26.458  7.902   -8.175  1.00 1.40  1   AF 1 
HETATM 3400 C C31   . LIG_AF AF 37 .   ? 25.707  8.613   -8.030  1.00 1.39  1   AF 1 
HETATM 3401 C C32   . LIG_AF AF 37 .   ? 24.913  9.316   -7.795  1.00 1.51  1   AF 1 
HETATM 3402 C C33   . LIG_AF AF 37 .   ? 24.110  9.940   -7.525  1.00 1.46  1   AF 1 
HETATM 3403 C C34   . LIG_AF AF 37 .   ? 23.263  10.563  -7.257  1.00 1.46  1   AF 1 
HETATM 3404 C C35   . LIG_AF AF 37 .   ? 22.436  11.180  -7.019  1.00 1.50  1   AF 1 
HETATM 3405 C C36   . LIG_AF AF 37 .   ? 21.589  11.828  -6.846  1.00 1.61  1   AF 1 
HETATM 3406 C C37   . LIG_AF AF 37 .   ? 20.732  12.455  -6.771  1.00 1.65  1   AF 1 
HETATM 3407 C C38   . LIG_AF AF 37 .   ? 19.850  13.074  -6.824  1.00 1.52  1   AF 1 
HETATM 3408 C C39   . LIG_AF AF 37 .   ? 18.962  13.664  -6.961  1.00 1.60  1   AF 1 
HETATM 3409 C C40   . LIG_AF AF 37 .   ? 18.053  14.201  -7.193  1.00 1.74  1   AF 1 
HETATM 3410 C C41   . LIG_AF AF 37 .   ? 17.127  14.666  -7.499  1.00 1.53  1   AF 1 
HETATM 3411 C C42   . LIG_AF AF 37 .   ? 16.235  15.084  -7.851  1.00 1.53  1   AF 1 
HETATM 3412 C C43   . LIG_AF AF 37 .   ? 15.347  15.523  -8.191  1.00 1.35  1   AF 1 
HETATM 3413 C C44   . LIG_AF AF 37 .   ? 14.411  16.045  -8.538  1.00 1.38  1   AF 1 
HETATM 3414 C C1    . LIG_BF BF 38 .   ? 12.050  15.434  7.558   1.00 1.33  1   BF 1 
HETATM 3415 C C2    . LIG_BF BF 38 .   ? 13.084  15.600  6.806   1.00 1.29  1   BF 1 
HETATM 3416 C C3    . LIG_BF BF 38 .   ? 13.908  16.504  6.689   1.00 1.33  1   BF 1 
HETATM 3417 C C4    . LIG_BF BF 38 .   ? 14.870  16.630  5.988   1.00 1.32  1   BF 1 
HETATM 3418 C C5    . LIG_BF BF 38 .   ? 15.652  17.384  5.539   1.00 1.34  1   BF 1 
HETATM 3419 C C6    . LIG_BF BF 38 .   ? 16.596  17.482  4.879   1.00 1.30  1   BF 1 
HETATM 3420 C C7    . LIG_BF BF 38 .   ? 17.348  18.154  4.350   1.00 1.24  1   BF 1 
HETATM 3421 C C8    . LIG_BF BF 38 .   ? 18.387  17.994  3.881   1.00 1.30  1   BF 1 
HETATM 3422 C C9    . LIG_BF BF 38 .   ? 19.274  17.483  3.606   1.00 1.26  1   BF 1 
HETATM 3423 C C10   . LIG_BF BF 38 .   ? 20.261  17.040  3.281   1.00 1.29  1   BF 1 
HETATM 3424 C C11   . LIG_BF BF 38 .   ? 21.000  16.232  3.057   1.00 1.27  1   BF 1 
HETATM 3425 C C12   . LIG_BF BF 38 .   ? 22.028  15.774  2.802   1.00 1.37  1   BF 1 
HETATM 3426 C C13   . LIG_BF BF 38 .   ? 22.695  14.850  2.676   1.00 1.24  1   BF 1 
HETATM 3427 C C14   . LIG_BF BF 38 .   ? 23.763  14.406  2.679   1.00 1.28  1   BF 1 
HETATM 3428 C C15   . LIG_BF BF 38 .   ? 24.397  13.439  2.795   1.00 1.29  1   BF 1 
HETATM 3429 C C16   . LIG_BF BF 38 .   ? 25.562  13.064  2.905   1.00 1.27  1   BF 1 
HETATM 3430 C C17   . LIG_BF BF 38 .   ? 25.972  11.922  3.097   1.00 1.19  1   BF 1 
HETATM 3431 C C18   . LIG_BF BF 38 .   ? 27.233  11.541  3.036   1.00 1.22  1   BF 1 
HETATM 3432 O O1    . LIG_BF BF 38 .   ? 28.141  12.317  2.962   1.00 1.43  1   BF 1 
HETATM 3433 O O2    . LIG_BF BF 38 .   ? 27.343  10.347  3.035   1.00 1.35  1   BF 1 
HETATM 3434 C C19   . LIG_BF BF 38 .   ? 28.554  9.840   2.958   1.00 1.17  1   BF 1 
HETATM 3435 C C20   . LIG_BF BF 38 .   ? 28.447  8.381   2.898   1.00 1.24  1   BF 1 
HETATM 3436 C C21   . LIG_BF BF 38 .   ? 29.723  7.757   3.287   1.00 1.23  1   BF 1 
HETATM 3437 O O3    . LIG_BF BF 38 .   ? 29.466  7.005   4.366   1.00 1.25  1   BF 1 
HETATM 3438 P P1    . LIG_BF BF 38 .   ? 30.564  6.321   5.182   1.00 1.30  1   BF 1 
HETATM 3439 O O4    . LIG_BF BF 38 .   ? 31.548  7.284   5.533   1.00 1.20  1   BF 1 
HETATM 3440 O O5    . LIG_BF BF 38 .   ? 29.902  5.555   6.178   1.00 1.18  1   BF 1 
HETATM 3441 O O6    . LIG_BF BF 38 .   ? 31.150  5.332   4.122   1.00 1.23  1   BF 1 
HETATM 3442 C C22   . LIG_BF BF 38 .   ? 32.377  4.971   4.148   1.00 1.18  1   BF 1 
HETATM 3443 C C23   . LIG_BF BF 38 .   ? 32.688  4.097   3.112   1.00 1.15  1   BF 1 
HETATM 3444 N N1    . LIG_BF BF 38 .   ? 32.366  2.899   3.339   1.00 1.68  1   BF 1 
HETATM 3445 O O7    . LIG_BF BF 38 .   ? 28.125  8.007   1.602   1.00 1.24  1   BF 1 
HETATM 3446 C C24   . LIG_BF BF 38 .   ? 27.278  7.082   1.485   1.00 1.24  1   BF 1 
HETATM 3447 O O8    . LIG_BF BF 38 .   ? 27.010  6.354   2.384   1.00 1.32  1   BF 1 
HETATM 3448 C C25   . LIG_BF BF 38 .   ? 26.708  6.958   0.225   1.00 1.27  1   BF 1 
HETATM 3449 C C26   . LIG_BF BF 38 .   ? 25.584  7.697   0.098   1.00 1.47  1   BF 1 
HETATM 3450 C C27   . LIG_BF BF 38 .   ? 24.422  7.269   0.560   1.00 1.51  1   BF 1 
HETATM 3451 C C28   . LIG_BF BF 38 .   ? 23.412  8.071   0.619   1.00 1.34  1   BF 1 
HETATM 3452 C C29   . LIG_BF BF 38 .   ? 22.232  7.873   0.834   1.00 1.38  1   BF 1 
HETATM 3453 C C30   . LIG_BF BF 38 .   ? 21.398  8.552   1.423   1.00 1.44  1   BF 1 
HETATM 3454 C C31   . LIG_BF BF 38 .   ? 21.343  8.754   2.622   1.00 1.42  1   BF 1 
HETATM 3455 C C32   . LIG_BF BF 38 .   ? 20.799  8.571   3.624   1.00 1.50  1   BF 1 
HETATM 3456 C C33   . LIG_BF BF 38 .   ? 20.726  8.506   4.739   1.00 1.50  1   BF 1 
HETATM 3457 C C34   . LIG_BF BF 38 .   ? 20.438  8.357   5.831   1.00 1.48  1   BF 1 
HETATM 3458 C C35   . LIG_BF BF 38 .   ? 20.678  8.433   6.912   1.00 1.50  1   BF 1 
HETATM 3459 C C36   . LIG_BF BF 38 .   ? 20.699  8.365   8.028   1.00 1.69  1   BF 1 
HETATM 3460 C C37   . LIG_BF BF 38 .   ? 21.174  8.517   9.025   1.00 1.78  1   BF 1 
HETATM 3461 C C38   . LIG_BF BF 38 .   ? 21.240  8.447   10.192  1.00 1.59  1   BF 1 
HETATM 3462 C C39   . LIG_BF BF 38 .   ? 20.967  9.034   11.179  1.00 1.57  1   BF 1 
HETATM 3463 C C40   . LIG_BF BF 38 .   ? 21.023  8.982   12.366  1.00 1.68  1   BF 1 
HETATM 3464 C C41   . LIG_BF BF 38 .   ? 20.665  9.715   13.358  1.00 1.45  1   BF 1 
HETATM 3465 C C1    . LIG_AG AG 39 .   ? 11.875  11.849  -0.329  1.00 1.85  1   AG 1 
HETATM 3466 C C2    . LIG_AG AG 39 .   ? 11.465  11.481  -1.037  1.00 1.95  1   AG 1 
HETATM 3467 C C3    . LIG_AG AG 39 .   ? 11.684  10.546  -1.485  1.00 1.87  1   AG 1 
HETATM 3468 C C4    . LIG_AG AG 39 .   ? 12.272  9.706   -1.641  1.00 2.19  1   AG 1 
HETATM 3469 C C5    . LIG_AG AG 39 .   ? 12.982  8.911   -1.763  1.00 2.01  1   AG 1 
HETATM 3470 C C6    . LIG_AG AG 39 .   ? 13.820  8.240   -1.849  1.00 1.90  1   AG 1 
HETATM 3471 C C7    . LIG_AG AG 39 .   ? 14.690  7.648   -1.965  1.00 1.78  1   AG 1 
HETATM 3472 C C8    . LIG_AG AG 39 .   ? 15.618  7.108   -2.107  1.00 1.87  1   AG 1 
HETATM 3473 C C9    . LIG_AG AG 39 .   ? 16.534  6.599   -2.262  1.00 1.98  1   AG 1 
HETATM 3474 C C10   . LIG_AG AG 39 .   ? 17.505  6.044   -2.342  1.00 2.06  1   AG 1 
HETATM 3475 C C11   . LIG_AG AG 39 .   ? 18.422  5.471   -2.289  1.00 1.93  1   AG 1 
HETATM 3476 C C12   . LIG_AG AG 39 .   ? 19.322  4.824   -2.146  1.00 2.02  1   AG 1 
HETATM 3477 C C13   . LIG_AG AG 39 .   ? 20.146  4.197   -1.822  1.00 1.60  1   AG 1 
HETATM 3478 C C14   . LIG_AG AG 39 .   ? 20.972  3.505   -1.510  1.00 1.62  1   AG 1 
HETATM 3479 C C15   . LIG_AG AG 39 .   ? 21.706  2.843   -1.076  1.00 1.53  1   AG 1 
HETATM 3480 C C16   . LIG_AG AG 39 .   ? 22.491  2.060   -0.765  1.00 1.50  1   AG 1 
HETATM 3481 C C17   . LIG_AG AG 39 .   ? 23.103  1.399   -0.216  1.00 1.41  1   AG 1 
HETATM 3482 C C18   . LIG_AG AG 39 .   ? 23.886  0.384   -0.085  1.00 1.49  1   AG 1 
HETATM 3483 O O1    . LIG_AG AG 39 .   ? 24.460  -0.087  -0.992  1.00 2.32  1   AG 1 
HETATM 3484 O O2    . LIG_AG AG 39 .   ? 23.924  -0.022  1.030   1.00 2.06  1   AG 1 
HETATM 3485 C C19   . LIG_AG AG 39 .   ? 24.600  -1.112  1.272   1.00 1.59  1   AG 1 
HETATM 3486 C C20   . LIG_AG AG 39 .   ? 24.558  -1.354  2.691   1.00 1.57  1   AG 1 
HETATM 3487 C C21   . LIG_AG AG 39 .   ? 25.330  -2.545  3.092   1.00 1.73  1   AG 1 
HETATM 3488 O O3    . LIG_AG AG 39 .   ? 24.990  -3.652  2.475   1.00 1.68  1   AG 1 
HETATM 3489 P P1    . LIG_AG AG 39 .   ? 25.438  -5.041  3.024   1.00 1.68  1   AG 1 
HETATM 3490 O O4    . LIG_AG AG 39 .   ? 26.030  -5.768  1.973   1.00 1.38  1   AG 1 
HETATM 3491 O O5    . LIG_AG AG 39 .   ? 26.077  -4.946  4.256   1.00 1.45  1   AG 1 
HETATM 3492 O O6    . LIG_AG AG 39 .   ? 24.020  -5.590  3.313   1.00 1.67  1   AG 1 
HETATM 3493 C C22   . LIG_AG AG 39 .   ? 23.716  -6.756  3.595   1.00 2.07  1   AG 1 
HETATM 3494 C C23   . LIG_AG AG 39 .   ? 22.383  -6.915  3.904   1.00 1.88  1   AG 1 
HETATM 3495 N N1    . LIG_AG AG 39 .   ? 21.905  -8.187  3.910   1.00 2.51  1   AG 1 
HETATM 3496 C C24   . LIG_AG AG 39 .   ? 20.564  -8.130  4.268   1.00 1.91  1   AG 1 
HETATM 3497 C C25   . LIG_AG AG 39 .   ? 22.595  -8.982  4.842   1.00 1.91  1   AG 1 
HETATM 3498 C C26   . LIG_AG AG 39 .   ? 22.018  -8.749  2.632   1.00 2.04  1   AG 1 
HETATM 3499 O O7    . LIG_AG AG 39 .   ? 23.262  -1.494  3.075   1.00 1.93  1   AG 1 
HETATM 3500 C C27   . LIG_AG AG 39 .   ? 22.991  -0.924  4.163   1.00 1.75  1   AG 1 
HETATM 3501 O O8    . LIG_AG AG 39 .   ? 23.799  -0.698  4.994   1.00 1.79  1   AG 1 
HETATM 3502 C C28   . LIG_AG AG 39 .   ? 21.780  -0.577  4.283   1.00 1.64  1   AG 1 
HETATM 3503 C C29   . LIG_AG AG 39 .   ? 21.064  0.122   4.684   1.00 1.73  1   AG 1 
HETATM 3504 C C30   . LIG_AG AG 39 .   ? 20.159  0.720   4.855   1.00 1.75  1   AG 1 
HETATM 3505 C C31   . LIG_AG AG 39 .   ? 19.360  1.423   5.019   1.00 1.71  1   AG 1 
HETATM 3506 C C32   . LIG_AG AG 39 .   ? 18.561  2.150   5.089   1.00 1.92  1   AG 1 
HETATM 3507 C C33   . LIG_AG AG 39 .   ? 17.863  2.973   5.065   1.00 1.79  1   AG 1 
HETATM 3508 C C34   . LIG_AG AG 39 .   ? 17.234  3.857   4.885   1.00 1.81  1   AG 1 
HETATM 3509 C C35   . LIG_AG AG 39 .   ? 16.686  4.751   4.578   1.00 1.80  1   AG 1 
HETATM 3510 C C36   . LIG_AG AG 39 .   ? 16.173  5.654   4.177   1.00 1.95  1   AG 1 
HETATM 3511 C C37   . LIG_AG AG 39 .   ? 15.666  6.540   3.715   1.00 1.90  1   AG 1 
HETATM 3512 C C38   . LIG_AG AG 39 .   ? 15.155  7.414   3.223   1.00 1.67  1   AG 1 
HETATM 3513 C C39   . LIG_AG AG 39 .   ? 14.619  8.312   2.753   1.00 1.68  1   AG 1 
HETATM 3514 C C40   . LIG_AG AG 39 .   ? 14.066  9.207   2.323   1.00 1.89  1   AG 1 
HETATM 3515 C C41   . LIG_AG AG 39 .   ? 13.503  10.108  1.931   1.00 1.56  1   AG 1 
HETATM 3516 C C42   . LIG_AG AG 39 .   ? 12.946  10.988  1.618   1.00 1.51  1   AG 1 
HETATM 3517 C C43   . LIG_AG AG 39 .   ? 12.381  11.889  1.387   1.00 1.35  1   AG 1 
HETATM 3518 C C44   . LIG_AG AG 39 .   ? 11.776  12.948  1.290   1.00 1.37  1   AG 1 
HETATM 3519 C C1    . LIG_BG BG 40 .   ? 11.141  3.544   -21.583 1.00 2.03  1   BG 1 
HETATM 3520 C C2    . LIG_BG BG 40 .   ? 10.526  3.448   -20.852 1.00 2.25  1   BG 1 
HETATM 3521 C C3    . LIG_BG BG 40 .   ? 9.458   3.392   -20.595 1.00 2.14  1   BG 1 
HETATM 3522 C C4    . LIG_BG BG 40 .   ? 8.366   3.324   -20.650 1.00 2.40  1   BG 1 
HETATM 3523 C C5    . LIG_BG BG 40 .   ? 7.263   3.222   -20.783 1.00 2.24  1   BG 1 
HETATM 3524 C C6    . LIG_BG BG 40 .   ? 6.204   3.070   -21.099 1.00 1.92  1   BG 1 
HETATM 3525 C C7    . LIG_BG BG 40 .   ? 5.196   2.909   -21.482 1.00 1.76  1   BG 1 
HETATM 3526 C C8    . LIG_BG BG 40 .   ? 4.225   2.764   -21.973 1.00 1.75  1   BG 1 
HETATM 3527 C C9    . LIG_BG BG 40 .   ? 3.278   2.658   -22.487 1.00 1.83  1   BG 1 
HETATM 3528 C C10   . LIG_BG BG 40 .   ? 2.293   2.591   -23.027 1.00 1.84  1   BG 1 
HETATM 3529 C C11   . LIG_BG BG 40 .   ? 1.338   2.584   -23.565 1.00 1.68  1   BG 1 
HETATM 3530 C C12   . LIG_BG BG 40 .   ? 0.357   2.623   -24.086 1.00 1.71  1   BG 1 
HETATM 3531 C C13   . LIG_BG BG 40 .   ? -0.592  2.683   -24.617 1.00 1.38  1   BG 1 
HETATM 3532 C C14   . LIG_BG BG 40 .   ? -1.598  2.739   -25.074 1.00 1.35  1   BG 1 
HETATM 3533 C C15   . LIG_BG BG 40 .   ? -2.557  2.814   -25.617 1.00 1.37  1   BG 1 
HETATM 3534 C C16   . LIG_BG BG 40 .   ? -3.634  2.820   -25.965 1.00 1.33  1   BG 1 
HETATM 3535 C C17   . LIG_BG BG 40 .   ? -4.606  2.801   -26.480 1.00 1.25  1   BG 1 
HETATM 3536 C C18   . LIG_BG BG 40 .   ? -5.839  2.678   -26.217 1.00 1.29  1   BG 1 
HETATM 3537 O O1    . LIG_BG BG 40 .   ? -6.672  2.654   -27.040 1.00 1.64  1   BG 1 
HETATM 3538 O O2    . LIG_BG BG 40 .   ? -6.006  2.575   -25.014 1.00 1.53  1   BG 1 
HETATM 3539 C C19   . LIG_BG BG 40 .   ? -7.207  2.403   -24.555 1.00 1.22  1   BG 1 
HETATM 3540 C C20   . LIG_BG BG 40 .   ? -7.194  2.071   -23.132 1.00 1.22  1   BG 1 
HETATM 3541 C C21   . LIG_BG BG 40 .   ? -8.550  1.733   -22.704 1.00 1.25  1   BG 1 
HETATM 3542 O O3    . LIG_BG BG 40 .   ? -9.029  0.845   -23.558 1.00 1.27  1   BG 1 
HETATM 3543 P P1    . LIG_BG BG 40 .   ? -10.027 -0.208  -23.115 1.00 1.20  1   BG 1 
HETATM 3544 O O4    . LIG_BG BG 40 .   ? -10.259 -1.070  -24.220 1.00 1.17  1   BG 1 
HETATM 3545 O O5    . LIG_BG BG 40 .   ? -9.694  -0.739  -21.883 1.00 1.16  1   BG 1 
HETATM 3546 O O6    . LIG_BG BG 40 .   ? -11.238 0.740   -22.932 1.00 1.26  1   BG 1 
HETATM 3547 C C22   . LIG_BG BG 40 .   ? -12.327 0.346   -22.478 1.00 1.23  1   BG 1 
HETATM 3548 C C23   . LIG_BG BG 40 .   ? -13.156 1.361   -22.379 1.00 1.22  1   BG 1 
HETATM 3549 N N1    . LIG_BG BG 40 .   ? -12.734 2.382   -22.168 1.00 1.91  1   BG 1 
HETATM 3550 O O7    . LIG_BG BG 40 .   ? -6.776  3.168   -22.428 1.00 1.37  1   BG 1 
HETATM 3551 C C24   . LIG_BG BG 40 .   ? -5.772  2.974   -21.734 1.00 1.31  1   BG 1 
HETATM 3552 O O8    . LIG_BG BG 40 .   ? -5.309  1.889   -21.567 1.00 1.44  1   BG 1 
HETATM 3553 C C25   . LIG_BG BG 40 .   ? -5.217  4.029   -21.244 1.00 1.34  1   BG 1 
HETATM 3554 C C26   . LIG_BG BG 40 .   ? -4.134  4.394   -21.234 1.00 1.53  1   BG 1 
HETATM 3555 C C27   . LIG_BG BG 40 .   ? -3.215  4.954   -21.318 1.00 1.56  1   BG 1 
HETATM 3556 C C28   . LIG_BG BG 40 .   ? -2.212  5.378   -21.543 1.00 1.40  1   BG 1 
HETATM 3557 C C29   . LIG_BG BG 40 .   ? -1.242  5.799   -21.871 1.00 1.46  1   BG 1 
HETATM 3558 C C30   . LIG_BG BG 40 .   ? -0.244  6.115   -22.273 1.00 1.50  1   BG 1 
HETATM 3559 C C31   . LIG_BG BG 40 .   ? 0.755   6.327   -22.723 1.00 1.49  1   BG 1 
HETATM 3560 C C32   . LIG_BG BG 40 .   ? 1.763   6.432   -23.150 1.00 1.63  1   BG 1 
HETATM 3561 C C33   . LIG_BG BG 40 .   ? 2.791   6.426   -23.564 1.00 1.54  1   BG 1 
HETATM 3562 C C34   . LIG_BG BG 40 .   ? 3.849   6.341   -23.897 1.00 1.53  1   BG 1 
HETATM 3563 C C35   . LIG_BG BG 40 .   ? 4.912   6.163   -24.174 1.00 1.63  1   BG 1 
HETATM 3564 C C36   . LIG_BG BG 40 .   ? 5.980   5.896   -24.385 1.00 1.80  1   BG 1 
HETATM 3565 C C37   . LIG_BG BG 40 .   ? 7.061   5.595   -24.513 1.00 1.82  1   BG 1 
HETATM 3566 C C38   . LIG_BG BG 40 .   ? 8.157   5.297   -24.554 1.00 1.55  1   BG 1 
HETATM 3567 C C39   . LIG_BG BG 40 .   ? 9.247   4.996   -24.532 1.00 1.60  1   BG 1 
HETATM 3568 C C40   . LIG_BG BG 40 .   ? 10.275  4.700   -24.382 1.00 1.61  1   BG 1 
HETATM 3569 C C41   . LIG_BG BG 40 .   ? 11.276  4.402   -24.112 1.00 1.48  1   BG 1 
HETATM 3570 C C1    . LIG_AH AH 41 .   ? 9.229   18.486  6.668   1.00 1.84  1   AH 1 
HETATM 3571 C C2    . LIG_AH AH 41 .   ? 8.773   18.139  7.359   1.00 1.99  1   AH 1 
HETATM 3572 C C3    . LIG_AH AH 41 .   ? 7.856   18.028  7.937   1.00 1.89  1   AH 1 
HETATM 3573 C C4    . LIG_AH AH 41 .   ? 6.924   17.979  8.424   1.00 2.19  1   AH 1 
HETATM 3574 C C5    . LIG_AH AH 41 .   ? 5.922   18.026  8.823   1.00 1.87  1   AH 1 
HETATM 3575 C C6    . LIG_AH AH 41 .   ? 4.893   18.180  9.139   1.00 1.73  1   AH 1 
HETATM 3576 C C7    . LIG_AH AH 41 .   ? 3.889   18.394  9.395   1.00 1.66  1   AH 1 
HETATM 3577 C C8    . LIG_AH AH 41 .   ? 2.881   18.689  9.585   1.00 1.63  1   AH 1 
HETATM 3578 C C9    . LIG_AH AH 41 .   ? 1.908   19.066  9.749   1.00 1.71  1   AH 1 
HETATM 3579 C C10   . LIG_AH AH 41 .   ? 0.904   19.504  9.923   1.00 1.84  1   AH 1 
HETATM 3580 C C11   . LIG_AH AH 41 .   ? -0.067  19.936  10.134  1.00 1.69  1   AH 1 
HETATM 3581 C C12   . LIG_AH AH 41 .   ? -1.063  20.376  10.343  1.00 1.71  1   AH 1 
HETATM 3582 C C13   . LIG_AH AH 41 .   ? -2.027  20.815  10.590  1.00 1.35  1   AH 1 
HETATM 3583 C C14   . LIG_AH AH 41 .   ? -3.038  21.254  10.769  1.00 1.35  1   AH 1 
HETATM 3584 C C15   . LIG_AH AH 41 .   ? -3.991  21.664  11.087  1.00 1.30  1   AH 1 
HETATM 3585 C C16   . LIG_AH AH 41 .   ? -5.065  22.031  11.253  1.00 1.31  1   AH 1 
HETATM 3586 C C17   . LIG_AH AH 41 .   ? -5.986  22.340  11.775  1.00 1.23  1   AH 1 
HETATM 3587 C C18   . LIG_AH AH 41 .   ? -7.213  22.679  11.645  1.00 1.27  1   AH 1 
HETATM 3588 O O1    . LIG_AH AH 41 .   ? -7.923  22.829  12.554  1.00 1.69  1   AH 1 
HETATM 3589 O O2    . LIG_AH AH 41 .   ? -7.543  22.808  10.468  1.00 1.55  1   AH 1 
HETATM 3590 C C19   . LIG_AH AH 41 .   ? -8.782  23.061  10.204  1.00 1.24  1   AH 1 
HETATM 3591 C C20   . LIG_AH AH 41 .   ? -8.966  23.887  9.037   1.00 1.24  1   AH 1 
HETATM 3592 C C21   . LIG_AH AH 41 .   ? -10.300 23.602  8.464   1.00 1.29  1   AH 1 
HETATM 3593 O O3    . LIG_AH AH 41 .   ? -11.196 23.975  9.392   1.00 1.29  1   AH 1 
HETATM 3594 P P1    . LIG_AH AH 41 .   ? -12.704 23.908  9.177   1.00 1.21  1   AH 1 
HETATM 3595 O O4    . LIG_AH AH 41 .   ? -13.253 25.028  9.861   1.00 1.19  1   AH 1 
HETATM 3596 O O5    . LIG_AH AH 41 .   ? -13.045 23.666  7.863   1.00 1.18  1   AH 1 
HETATM 3597 O O6    . LIG_AH AH 41 .   ? -13.006 22.629  9.988   1.00 1.29  1   AH 1 
HETATM 3598 C C22   . LIG_AH AH 41 .   ? -13.608 22.666  11.119  1.00 1.28  1   AH 1 
HETATM 3599 C C23   . LIG_AH AH 41 .   ? -13.505 21.516  11.855  1.00 1.27  1   AH 1 
HETATM 3600 N N1    . LIG_AH AH 41 .   ? -14.226 21.473  13.026  1.00 1.82  1   AH 1 
HETATM 3601 C C24   . LIG_AH AH 41 .   ? -13.993 22.623  13.818  1.00 1.28  1   AH 1 
HETATM 3602 C C25   . LIG_AH AH 41 .   ? -13.820 20.323  13.702  1.00 1.33  1   AH 1 
HETATM 3603 C C26   . LIG_AH AH 41 .   ? -15.608 21.379  12.738  1.00 1.33  1   AH 1 
HETATM 3604 O O7    . LIG_AH AH 41 .   ? -7.998  23.604  8.094   1.00 1.47  1   AH 1 
HETATM 3605 C C27   . LIG_AH AH 41 .   ? -7.045  24.450  8.075   1.00 1.45  1   AH 1 
HETATM 3606 O O8    . LIG_AH AH 41 .   ? -7.112  25.483  8.650   1.00 1.46  1   AH 1 
HETATM 3607 C C28   . LIG_AH AH 41 .   ? -5.965  24.103  7.446   1.00 1.32  1   AH 1 
HETATM 3608 C C29   . LIG_AH AH 41 .   ? -4.862  24.324  7.418   1.00 1.41  1   AH 1 
HETATM 3609 C C30   . LIG_AH AH 41 .   ? -3.767  24.180  7.147   1.00 1.40  1   AH 1 
HETATM 3610 C C31   . LIG_AH AH 41 .   ? -2.671  24.064  6.998   1.00 1.38  1   AH 1 
HETATM 3611 C C32   . LIG_AH AH 41 .   ? -1.596  23.843  6.780   1.00 1.52  1   AH 1 
HETATM 3612 C C33   . LIG_AH AH 41 .   ? -0.521  23.600  6.606   1.00 1.50  1   AH 1 
HETATM 3613 C C34   . LIG_AH AH 41 .   ? 0.555   23.319  6.430   1.00 1.51  1   AH 1 
HETATM 3614 C C35   . LIG_AH AH 41 .   ? 1.624   23.012  6.265   1.00 1.49  1   AH 1 
HETATM 3615 C C36   . LIG_AH AH 41 .   ? 2.679   22.649  6.104   1.00 1.63  1   AH 1 
HETATM 3616 C C37   . LIG_AH AH 41 .   ? 3.736   22.271  5.951   1.00 1.65  1   AH 1 
HETATM 3617 C C38   . LIG_AH AH 41 .   ? 4.790   21.869  5.807   1.00 1.51  1   AH 1 
HETATM 3618 C C39   . LIG_AH AH 41 .   ? 5.845   21.435  5.662   1.00 1.56  1   AH 1 
HETATM 3619 C C40   . LIG_AH AH 41 .   ? 6.869   20.975  5.525   1.00 1.78  1   AH 1 
HETATM 3620 C C41   . LIG_AH AH 41 .   ? 7.891   20.476  5.398   1.00 1.50  1   AH 1 
HETATM 3621 C C42   . LIG_AH AH 41 .   ? 8.858   19.980  5.308   1.00 1.50  1   AH 1 
HETATM 3622 C C43   . LIG_AH AH 41 .   ? 9.833   19.520  5.192   1.00 1.34  1   AH 1 
HETATM 3623 C C44   . LIG_AH AH 41 .   ? 10.916  19.054  5.021   1.00 1.37  1   AH 1 
HETATM 3624 C C1    . LIG_BH BH 42 .   ? 14.941  20.082  -8.645  1.00 1.26  1   BH 1 
HETATM 3625 C C2    . LIG_BH BH 42 .   ? 15.708  20.118  -7.601  1.00 1.26  1   BH 1 
HETATM 3626 C C3    . LIG_BH BH 42 .   ? 16.196  21.100  -7.027  1.00 1.29  1   BH 1 
HETATM 3627 C C4    . LIG_BH BH 42 .   ? 16.912  21.168  -6.010  1.00 1.33  1   BH 1 
HETATM 3628 C C5    . LIG_BH BH 42 .   ? 17.334  22.071  -5.334  1.00 1.38  1   BH 1 
HETATM 3629 C C6    . LIG_BH BH 42 .   ? 17.985  22.027  -4.344  1.00 1.36  1   BH 1 
HETATM 3630 C C7    . LIG_BH BH 42 .   ? 18.221  21.424  -3.437  1.00 1.34  1   BH 1 
HETATM 3631 C C8    . LIG_BH BH 42 .   ? 18.842  21.225  -2.502  1.00 1.41  1   BH 1 
HETATM 3632 C C9    . LIG_BH BH 42 .   ? 19.409  20.879  -1.670  1.00 1.38  1   BH 1 
HETATM 3633 C C10   . LIG_BH BH 42 .   ? 20.104  20.583  -0.839  1.00 1.42  1   BH 1 
HETATM 3634 C C11   . LIG_BH BH 42 .   ? 20.852  20.291  -0.162  1.00 1.40  1   BH 1 
HETATM 3635 C C12   . LIG_BH BH 42 .   ? 21.678  19.891  0.531   1.00 1.43  1   BH 1 
HETATM 3636 C C13   . LIG_BH BH 42 .   ? 22.688  19.776  0.949   1.00 1.35  1   BH 1 
HETATM 3637 C C14   . LIG_BH BH 42 .   ? 23.559  19.325  1.571   1.00 1.33  1   BH 1 
HETATM 3638 C C15   . LIG_BH BH 42 .   ? 24.668  19.356  1.779   1.00 1.36  1   BH 1 
HETATM 3639 C C16   . LIG_BH BH 42 .   ? 25.571  18.845  2.432   1.00 1.33  1   BH 1 
HETATM 3640 C C17   . LIG_BH BH 42 .   ? 26.843  19.097  2.307   1.00 1.21  1   BH 1 
HETATM 3641 C C18   . LIG_BH BH 42 .   ? 27.722  18.492  3.138   1.00 1.22  1   BH 1 
HETATM 3642 O O1    . LIG_BH BH 42 .   ? 28.227  19.063  4.041   1.00 1.45  1   BH 1 
HETATM 3643 O O2    . LIG_BH BH 42 .   ? 27.923  17.323  2.874   1.00 1.36  1   BH 1 
HETATM 3644 C C19   . LIG_BH BH 42 .   ? 28.870  16.690  3.539   1.00 1.18  1   BH 1 
HETATM 3645 C C20   . LIG_BH BH 42 .   ? 29.282  15.523  2.759   1.00 1.18  1   BH 1 
HETATM 3646 C C21   . LIG_BH BH 42 .   ? 30.510  14.924  3.338   1.00 1.19  1   BH 1 
HETATM 3647 O O3    . LIG_BH BH 42 .   ? 31.587  15.453  2.730   1.00 1.24  1   BH 1 
HETATM 3648 P P1    . LIG_BH BH 42 .   ? 32.807  14.574  2.342   1.00 1.26  1   BH 1 
HETATM 3649 O O4    . LIG_BH BH 42 .   ? 33.353  13.992  3.536   1.00 1.19  1   BH 1 
HETATM 3650 O O5    . LIG_BH BH 42 .   ? 33.616  15.307  1.480   1.00 1.14  1   BH 1 
HETATM 3651 O O6    . LIG_BH BH 42 .   ? 32.131  13.426  1.520   1.00 1.26  1   BH 1 
HETATM 3652 C C22   . LIG_BH BH 42 .   ? 32.353  12.209  1.792   1.00 1.21  1   BH 1 
HETATM 3653 C C23   . LIG_BH BH 42 .   ? 31.950  11.294  0.889   1.00 1.17  1   BH 1 
HETATM 3654 N N1    . LIG_BH BH 42 .   ? 32.524  10.181  1.032   1.00 1.59  1   BH 1 
HETATM 3655 O O7    . LIG_BH BH 42 .   ? 29.519  15.941  1.486   1.00 1.18  1   BH 1 
HETATM 3656 C C24   . LIG_BH BH 42 .   ? 29.032  15.228  0.576   1.00 1.20  1   BH 1 
HETATM 3657 O O8    . LIG_BH BH 42 .   ? 28.637  14.129  0.797   1.00 1.25  1   BH 1 
HETATM 3658 C C25   . LIG_BH BH 42 .   ? 28.994  15.771  -0.688  1.00 1.25  1   BH 1 
HETATM 3659 C C26   . LIG_BH BH 42 .   ? 27.730  16.071  -1.035  1.00 1.34  1   BH 1 
HETATM 3660 C C27   . LIG_BH BH 42 .   ? 27.525  16.725  -2.071  1.00 1.34  1   BH 1 
HETATM 3661 C C28   . LIG_BH BH 42 .   ? 26.499  17.134  -2.471  1.00 1.21  1   BH 1 
HETATM 3662 C C29   . LIG_BH BH 42 .   ? 25.379  16.873  -2.303  1.00 1.20  1   BH 1 
HETATM 3663 C C30   . LIG_BH BH 42 .   ? 24.418  16.907  -2.950  1.00 1.23  1   BH 1 
HETATM 3664 C C31   . LIG_BH BH 42 .   ? 23.578  16.449  -3.466  1.00 1.22  1   BH 1 
HETATM 3665 C C32   . LIG_BH BH 42 .   ? 22.626  16.467  -3.993  1.00 1.23  1   BH 1 
HETATM 3666 C C33   . LIG_BH BH 42 .   ? 21.612  16.625  -4.029  1.00 1.22  1   BH 1 
HETATM 3667 C C34   . LIG_BH BH 42 .   ? 20.576  16.712  -4.303  1.00 1.24  1   BH 1 
HETATM 3668 C C35   . LIG_BH BH 42 .   ? 19.543  16.927  -4.198  1.00 1.26  1   BH 1 
HETATM 3669 C C36   . LIG_BH BH 42 .   ? 18.485  17.107  -4.441  1.00 1.33  1   BH 1 
HETATM 3670 C C37   . LIG_BH BH 42 .   ? 17.471  17.451  -4.254  1.00 1.39  1   BH 1 
HETATM 3671 C C38   . LIG_BH BH 42 .   ? 16.378  17.664  -4.515  1.00 1.34  1   BH 1 
HETATM 3672 C C39   . LIG_BH BH 42 .   ? 15.358  18.047  -4.120  1.00 1.28  1   BH 1 
HETATM 3673 C C40   . LIG_BH BH 42 .   ? 14.261  18.249  -4.248  1.00 1.27  1   BH 1 
HETATM 3674 C C41   . LIG_BH BH 42 .   ? 13.250  18.622  -3.618  1.00 1.20  1   BH 1 
HETATM 3675 C C1    . LIG_AI AI 43 .   ? 9.403   5.694   -0.586  1.00 2.02  1   AI 1 
HETATM 3676 C C2    . LIG_AI AI 43 .   ? 9.931   5.350   -0.023  1.00 2.24  1   AI 1 
HETATM 3677 C C3    . LIG_AI AI 43 .   ? 10.567  4.535   0.174   1.00 2.08  1   AI 1 
HETATM 3678 C C4    . LIG_AI AI 43 .   ? 11.145  3.675   0.164   1.00 2.61  1   AI 1 
HETATM 3679 C C5    . LIG_AI AI 43 .   ? 11.691  2.778   0.077   1.00 2.36  1   AI 1 
HETATM 3680 C C6    . LIG_AI AI 43 .   ? 12.157  1.860   -0.103  1.00 2.31  1   AI 1 
HETATM 3681 C C7    . LIG_AI AI 43 .   ? 12.620  0.958   -0.334  1.00 2.10  1   AI 1 
HETATM 3682 C C8    . LIG_AI AI 43 .   ? 13.120  0.085   -0.615  1.00 2.21  1   AI 1 
HETATM 3683 C C9    . LIG_AI AI 43 .   ? 13.696  -0.691  -0.985  1.00 2.30  1   AI 1 
HETATM 3684 C C10   . LIG_AI AI 43 .   ? 14.356  -1.419  -1.433  1.00 2.48  1   AI 1 
HETATM 3685 C C11   . LIG_AI AI 43 .   ? 15.057  -2.030  -1.970  1.00 2.31  1   AI 1 
HETATM 3686 C C12   . LIG_AI AI 43 .   ? 15.755  -2.643  -2.520  1.00 2.38  1   AI 1 
HETATM 3687 C C13   . LIG_AI AI 43 .   ? 16.483  -3.158  -3.142  1.00 1.90  1   AI 1 
HETATM 3688 C C14   . LIG_AI AI 43 .   ? 17.132  -3.800  -3.728  1.00 1.93  1   AI 1 
HETATM 3689 C C15   . LIG_AI AI 43 .   ? 17.840  -4.397  -4.360  1.00 1.76  1   AI 1 
HETATM 3690 C C16   . LIG_AI AI 43 .   ? 18.386  -5.247  -4.845  1.00 1.75  1   AI 1 
HETATM 3691 C C17   . LIG_AI AI 43 .   ? 19.048  -5.982  -5.402  1.00 1.49  1   AI 1 
HETATM 3692 C C18   . LIG_AI AI 43 .   ? 19.121  -7.264  -5.474  1.00 1.71  1   AI 1 
HETATM 3693 O O1    . LIG_AI AI 43 .   ? 19.936  -7.867  -6.050  1.00 2.54  1   AI 1 
HETATM 3694 O O2    . LIG_AI AI 43 .   ? 18.199  -7.708  -4.828  1.00 2.50  1   AI 1 
HETATM 3695 C C19   . LIG_AI AI 43 .   ? 17.964  -8.982  -4.657  1.00 1.88  1   AI 1 
HETATM 3696 C C20   . LIG_AI AI 43 .   ? 16.620  -9.143  -4.092  1.00 2.23  1   AI 1 
HETATM 3697 C C21   . LIG_AI AI 43 .   ? 16.488  -10.474 -3.517  1.00 2.58  1   AI 1 
HETATM 3698 O O3    . LIG_AI AI 43 .   ? 16.283  -10.349 -2.221  1.00 2.42  1   AI 1 
HETATM 3699 P P1    . LIG_AI AI 43 .   ? 15.936  -11.544 -1.322  1.00 3.38  1   AI 1 
HETATM 3700 O O4    . LIG_AI AI 43 .   ? 14.796  -11.175 -0.587  1.00 2.48  1   AI 1 
HETATM 3701 O O5    . LIG_AI AI 43 .   ? 17.086  -11.985 -0.655  1.00 2.17  1   AI 1 
HETATM 3702 O O6    . LIG_AI AI 43 .   ? 15.579  -12.614 -2.363  1.00 2.64  1   AI 1 
HETATM 3703 C C22   . LIG_AI AI 43 .   ? 14.450  -13.020 -2.689  1.00 3.98  1   AI 1 
HETATM 3704 C C23   . LIG_AI AI 43 .   ? 14.542  -13.920 -3.750  1.00 3.92  1   AI 1 
HETATM 3705 N N1    . LIG_AI AI 43 .   ? 13.392  -14.367 -4.311  1.00 5.23  1   AI 1 
HETATM 3706 C C24   . LIG_AI AI 43 .   ? 13.745  -15.100 -5.456  1.00 3.86  1   AI 1 
HETATM 3707 C C25   . LIG_AI AI 43 .   ? 12.579  -13.274 -4.630  1.00 4.28  1   AI 1 
HETATM 3708 C C26   . LIG_AI AI 43 .   ? 12.737  -15.217 -3.416  1.00 4.60  1   AI 1 
HETATM 3709 O O7    . LIG_AI AI 43 .   ? 15.697  -8.958  -5.098  1.00 2.35  1   AI 1 
HETATM 3710 C C27   . LIG_AI AI 43 .   ? 15.096  -7.865  -5.065  1.00 2.35  1   AI 1 
HETATM 3711 O O8    . LIG_AI AI 43 .   ? 15.324  -7.083  -4.206  1.00 2.13  1   AI 1 
HETATM 3712 C C28   . LIG_AI AI 43 .   ? 14.228  -7.594  -5.946  1.00 1.94  1   AI 1 
HETATM 3713 C C29   . LIG_AI AI 43 .   ? 13.511  -6.717  -6.089  1.00 2.01  1   AI 1 
HETATM 3714 C C30   . LIG_AI AI 43 .   ? 12.690  -6.068  -6.391  1.00 2.03  1   AI 1 
HETATM 3715 C C31   . LIG_AI AI 43 .   ? 11.865  -5.338  -6.419  1.00 1.92  1   AI 1 
HETATM 3716 C C32   . LIG_AI AI 43 .   ? 11.019  -4.671  -6.331  1.00 2.14  1   AI 1 
HETATM 3717 C C33   . LIG_AI AI 43 .   ? 10.240  -3.979  -6.029  1.00 1.99  1   AI 1 
HETATM 3718 C C34   . LIG_AI AI 43 .   ? 9.525   -3.267  -5.627  1.00 2.00  1   AI 1 
HETATM 3719 C C35   . LIG_AI AI 43 .   ? 8.976   -2.487  -5.127  1.00 1.91  1   AI 1 
HETATM 3720 C C36   . LIG_AI AI 43 .   ? 8.544   -1.630  -4.619  1.00 2.15  1   AI 1 
HETATM 3721 C C37   . LIG_AI AI 43 .   ? 8.237   -0.690  -4.131  1.00 2.20  1   AI 1 
HETATM 3722 C C38   . LIG_AI AI 43 .   ? 8.068   0.307   -3.695  1.00 1.91  1   AI 1 
HETATM 3723 C C39   . LIG_AI AI 43 .   ? 7.989   1.354   -3.302  1.00 1.95  1   AI 1 
HETATM 3724 C C40   . LIG_AI AI 43 .   ? 7.989   2.414   -2.963  1.00 2.18  1   AI 1 
HETATM 3725 C C41   . LIG_AI AI 43 .   ? 8.062   3.492   -2.638  1.00 1.72  1   AI 1 
HETATM 3726 C C42   . LIG_AI AI 43 .   ? 8.167   4.506   -2.328  1.00 1.62  1   AI 1 
HETATM 3727 C C43   . LIG_AI AI 43 .   ? 8.272   5.573   -2.014  1.00 1.40  1   AI 1 
HETATM 3728 C C44   . LIG_AI AI 43 .   ? 8.289   6.748   -1.728  1.00 1.39  1   AI 1 
HETATM 3729 C C1    . LIG_BI BI 44 .   ? 12.250  10.554  -15.261 1.00 1.24  1   BI 1 
HETATM 3730 C C2    . LIG_BI BI 44 .   ? 12.412  10.649  -16.594 1.00 1.27  1   BI 1 
HETATM 3731 C C3    . LIG_BI BI 44 .   ? 13.520  10.964  -16.981 1.00 1.26  1   BI 1 
HETATM 3732 C C4    . LIG_BI BI 44 .   ? 14.589  10.508  -16.758 1.00 1.30  1   BI 1 
HETATM 3733 C C5    . LIG_BI BI 44 .   ? 15.687  10.882  -16.877 1.00 1.38  1   BI 1 
HETATM 3734 C C6    . LIG_BI BI 44 .   ? 16.698  10.851  -16.512 1.00 1.28  1   BI 1 
HETATM 3735 C C7    . LIG_BI BI 44 .   ? 17.699  11.236  -16.346 1.00 1.29  1   BI 1 
HETATM 3736 C C8    . LIG_BI BI 44 .   ? 18.691  11.237  -15.958 1.00 1.36  1   BI 1 
HETATM 3737 C C9    . LIG_BI BI 44 .   ? 19.670  11.279  -15.686 1.00 1.35  1   BI 1 
HETATM 3738 C C10   . LIG_BI BI 44 .   ? 20.678  11.041  -15.357 1.00 1.35  1   BI 1 
HETATM 3739 C C11   . LIG_BI BI 44 .   ? 21.656  10.683  -15.292 1.00 1.34  1   BI 1 
HETATM 3740 C C12   . LIG_BI BI 44 .   ? 22.722  10.374  -15.051 1.00 1.49  1   BI 1 
HETATM 3741 C C13   . LIG_BI BI 44 .   ? 23.757  10.137  -15.379 1.00 1.35  1   BI 1 
HETATM 3742 C C14   . LIG_BI BI 44 .   ? 24.862  9.975   -15.220 1.00 1.29  1   BI 1 
HETATM 3743 C C15   . LIG_BI BI 44 .   ? 25.901  9.912   -15.727 1.00 1.32  1   BI 1 
HETATM 3744 C C16   . LIG_BI BI 44 .   ? 27.075  9.837   -15.391 1.00 1.31  1   BI 1 
HETATM 3745 C C17   . LIG_BI BI 44 .   ? 28.099  9.861   -16.226 1.00 1.21  1   BI 1 
HETATM 3746 C C18   . LIG_BI BI 44 .   ? 29.318  9.794   -15.613 1.00 1.22  1   BI 1 
HETATM 3747 O O1    . LIG_BI BI 44 .   ? 29.964  8.805   -15.611 1.00 1.39  1   BI 1 
HETATM 3748 O O2    . LIG_BI BI 44 .   ? 29.645  10.834  -15.057 1.00 1.39  1   BI 1 
HETATM 3749 C C19   . LIG_BI BI 44 .   ? 30.786  10.813  -14.446 1.00 1.17  1   BI 1 
HETATM 3750 C C20   . LIG_BI BI 44 .   ? 31.088  12.084  -13.850 1.00 1.24  1   BI 1 
HETATM 3751 C C21   . LIG_BI BI 44 .   ? 32.431  11.939  -13.244 1.00 1.23  1   BI 1 
HETATM 3752 O O3    . LIG_BI BI 44 .   ? 32.976  13.124  -13.072 1.00 1.26  1   BI 1 
HETATM 3753 P P1    . LIG_BI BI 44 .   ? 34.432  13.457  -13.540 1.00 1.32  1   BI 1 
HETATM 3754 O O4    . LIG_BI BI 44 .   ? 35.041  12.271  -14.026 1.00 1.19  1   BI 1 
HETATM 3755 O O5    . LIG_BI BI 44 .   ? 35.043  14.147  -12.484 1.00 1.14  1   BI 1 
HETATM 3756 O O6    . LIG_BI BI 44 .   ? 34.110  14.425  -14.683 1.00 1.25  1   BI 1 
HETATM 3757 C C22   . LIG_BI BI 44 .   ? 34.166  14.058  -15.874 1.00 1.22  1   BI 1 
HETATM 3758 C C23   . LIG_BI BI 44 .   ? 33.749  14.931  -16.808 1.00 1.15  1   BI 1 
HETATM 3759 N N1    . LIG_BI BI 44 .   ? 33.520  14.421  -17.935 1.00 1.76  1   BI 1 
HETATM 3760 O O7    . LIG_BI BI 44 .   ? 30.153  12.370  -12.870 1.00 1.23  1   BI 1 
HETATM 3761 C C24   . LIG_BI BI 44 .   ? 29.878  13.590  -12.711 1.00 1.22  1   BI 1 
HETATM 3762 O O8    . LIG_BI BI 44 .   ? 30.452  14.452  -13.263 1.00 1.34  1   BI 1 
HETATM 3763 C C25   . LIG_BI BI 44 .   ? 28.829  13.844  -11.866 1.00 1.27  1   BI 1 
HETATM 3764 C C26   . LIG_BI BI 44 .   ? 27.677  13.777  -12.556 1.00 1.43  1   BI 1 
HETATM 3765 C C27   . LIG_BI BI 44 .   ? 26.610  13.997  -11.992 1.00 1.41  1   BI 1 
HETATM 3766 C C28   . LIG_BI BI 44 .   ? 25.523  13.776  -12.419 1.00 1.27  1   BI 1 
HETATM 3767 C C29   . LIG_BI BI 44 .   ? 24.451  13.920  -12.036 1.00 1.28  1   BI 1 
HETATM 3768 C C30   . LIG_BI BI 44 .   ? 23.372  13.835  -11.998 1.00 1.29  1   BI 1 
HETATM 3769 C C31   . LIG_BI BI 44 .   ? 22.328  13.867  -11.643 1.00 1.27  1   BI 1 
HETATM 3770 C C32   . LIG_BI BI 44 .   ? 21.308  13.760  -11.474 1.00 1.31  1   BI 1 
HETATM 3771 C C33   . LIG_BI BI 44 .   ? 20.294  13.584  -11.305 1.00 1.26  1   BI 1 
HETATM 3772 C C34   . LIG_BI BI 44 .   ? 19.287  13.302  -11.351 1.00 1.29  1   BI 1 
HETATM 3773 C C35   . LIG_BI BI 44 .   ? 18.333  12.879  -11.541 1.00 1.30  1   BI 1 
HETATM 3774 C C36   . LIG_BI BI 44 .   ? 17.372  12.707  -11.876 1.00 1.43  1   BI 1 
HETATM 3775 C C37   . LIG_BI BI 44 .   ? 16.423  12.189  -12.141 1.00 1.48  1   BI 1 
HETATM 3776 C C38   . LIG_BI BI 44 .   ? 15.329  12.249  -11.778 1.00 1.42  1   BI 1 
HETATM 3777 C C39   . LIG_BI BI 44 .   ? 14.307  11.714  -11.847 1.00 1.38  1   BI 1 
HETATM 3778 C C40   . LIG_BI BI 44 .   ? 13.234  11.760  -11.377 1.00 1.33  1   BI 1 
HETATM 3779 C C41   . LIG_BI BI 44 .   ? 12.167  11.065  -11.556 1.00 1.27  1   BI 1 
HETATM 3780 C C1    . LIG_AJ AJ 45 .   ? 5.447   16.550  -6.794  1.00 1.81  1   AJ 1 
HETATM 3781 C C2    . LIG_AJ AJ 45 .   ? 4.887   17.279  -6.792  1.00 1.91  1   AJ 1 
HETATM 3782 C C3    . LIG_AJ AJ 45 .   ? 3.867   17.676  -6.719  1.00 1.79  1   AJ 1 
HETATM 3783 C C4    . LIG_AJ AJ 45 .   ? 2.787   17.879  -6.693  1.00 2.06  1   AJ 1 
HETATM 3784 C C5    . LIG_AJ AJ 45 .   ? 1.691   17.992  -6.701  1.00 1.86  1   AJ 1 
HETATM 3785 C C6    . LIG_AJ AJ 45 .   ? 0.579   17.989  -6.752  1.00 1.72  1   AJ 1 
HETATM 3786 C C7    . LIG_AJ AJ 45 .   ? -0.506  17.917  -6.817  1.00 1.68  1   AJ 1 
HETATM 3787 C C8    . LIG_AJ AJ 45 .   ? -1.609  17.781  -6.864  1.00 1.70  1   AJ 1 
HETATM 3788 C C9    . LIG_AJ AJ 45 .   ? -2.688  17.630  -6.898  1.00 1.70  1   AJ 1 
HETATM 3789 C C10   . LIG_AJ AJ 45 .   ? -3.825  17.444  -6.915  1.00 1.77  1   AJ 1 
HETATM 3790 C C11   . LIG_AJ AJ 45 .   ? -4.927  17.253  -6.920  1.00 1.69  1   AJ 1 
HETATM 3791 C C12   . LIG_AJ AJ 45 .   ? -6.051  17.043  -6.911  1.00 1.70  1   AJ 1 
HETATM 3792 C C13   . LIG_AJ AJ 45 .   ? -7.153  16.863  -6.913  1.00 1.39  1   AJ 1 
HETATM 3793 C C14   . LIG_AJ AJ 45 .   ? -8.273  16.634  -6.899  1.00 1.37  1   AJ 1 
HETATM 3794 C C15   . LIG_AJ AJ 45 .   ? -9.353  16.493  -6.917  1.00 1.35  1   AJ 1 
HETATM 3795 C C16   . LIG_AJ AJ 45 .   ? -10.490 16.238  -6.849  1.00 1.40  1   AJ 1 
HETATM 3796 C C17   . LIG_AJ AJ 45 .   ? -11.551 16.265  -6.906  1.00 1.26  1   AJ 1 
HETATM 3797 C C18   . LIG_AJ AJ 45 .   ? -12.764 15.881  -6.717  1.00 1.28  1   AJ 1 
HETATM 3798 O O1    . LIG_AJ AJ 45 .   ? -13.630 16.652  -6.610  1.00 1.72  1   AJ 1 
HETATM 3799 O O2    . LIG_AJ AJ 45 .   ? -12.898 14.665  -6.654  1.00 1.56  1   AJ 1 
HETATM 3800 C C19   . LIG_AJ AJ 45 .   ? -14.089 14.177  -6.397  1.00 1.25  1   AJ 1 
HETATM 3801 C C20   . LIG_AJ AJ 45 .   ? -14.041 12.801  -5.945  1.00 1.27  1   AJ 1 
HETATM 3802 C C21   . LIG_AJ AJ 45 .   ? -15.270 12.424  -5.213  1.00 1.29  1   AJ 1 
HETATM 3803 O O3    . LIG_AJ AJ 45 .   ? -16.303 13.014  -5.766  1.00 1.29  1   AJ 1 
HETATM 3804 P P1    . LIG_AJ AJ 45 .   ? -17.734 12.887  -5.208  1.00 1.21  1   AJ 1 
HETATM 3805 O O4    . LIG_AJ AJ 45 .   ? -17.709 12.332  -3.920  1.00 1.17  1   AJ 1 
HETATM 3806 O O5    . LIG_AJ AJ 45 .   ? -18.551 12.353  -6.206  1.00 1.15  1   AJ 1 
HETATM 3807 O O6    . LIG_AJ AJ 45 .   ? -18.005 14.390  -5.101  1.00 1.27  1   AJ 1 
HETATM 3808 C C22   . LIG_AJ AJ 45 .   ? -18.575 14.979  -4.164  1.00 1.27  1   AJ 1 
HETATM 3809 C C23   . LIG_AJ AJ 45 .   ? -18.532 16.333  -4.290  1.00 1.25  1   AJ 1 
HETATM 3810 N N1    . LIG_AJ AJ 45 .   ? -19.289 17.108  -3.470  1.00 1.73  1   AJ 1 
HETATM 3811 C C24   . LIG_AJ AJ 45 .   ? -19.977 16.348  -2.502  1.00 1.26  1   AJ 1 
HETATM 3812 C C25   . LIG_AJ AJ 45 .   ? -18.431 18.015  -2.862  1.00 1.28  1   AJ 1 
HETATM 3813 C C26   . LIG_AJ AJ 45 .   ? -20.227 17.811  -4.259  1.00 1.29  1   AJ 1 
HETATM 3814 O O7    . LIG_AJ AJ 45 .   ? -13.017 12.686  -5.041  1.00 1.43  1   AJ 1 
HETATM 3815 C C27   . LIG_AJ AJ 45 .   ? -12.141 11.833  -5.351  1.00 1.47  1   AJ 1 
HETATM 3816 O O8    . LIG_AJ AJ 45 .   ? -12.332 10.996  -6.159  1.00 1.45  1   AJ 1 
HETATM 3817 C C28   . LIG_AJ AJ 45 .   ? -10.995 11.984  -4.777  1.00 1.35  1   AJ 1 
HETATM 3818 C C29   . LIG_AJ AJ 45 .   ? -9.900  12.015  -5.010  1.00 1.46  1   AJ 1 
HETATM 3819 C C30   . LIG_AJ AJ 45 .   ? -8.796  12.221  -4.961  1.00 1.48  1   AJ 1 
HETATM 3820 C C31   . LIG_AJ AJ 45 .   ? -7.699  12.383  -5.115  1.00 1.43  1   AJ 1 
HETATM 3821 C C32   . LIG_AJ AJ 45 .   ? -6.599  12.545  -5.161  1.00 1.56  1   AJ 1 
HETATM 3822 C C33   . LIG_AJ AJ 45 .   ? -5.491  12.691  -5.256  1.00 1.52  1   AJ 1 
HETATM 3823 C C34   . LIG_AJ AJ 45 .   ? -4.369  12.839  -5.307  1.00 1.56  1   AJ 1 
HETATM 3824 C C35   . LIG_AJ AJ 45 .   ? -3.252  12.984  -5.358  1.00 1.50  1   AJ 1 
HETATM 3825 C C36   . LIG_AJ AJ 45 .   ? -2.124  13.128  -5.421  1.00 1.62  1   AJ 1 
HETATM 3826 C C37   . LIG_AJ AJ 45 .   ? -0.993  13.275  -5.498  1.00 1.63  1   AJ 1 
HETATM 3827 C C38   . LIG_AJ AJ 45 .   ? 0.150   13.446  -5.588  1.00 1.49  1   AJ 1 
HETATM 3828 C C39   . LIG_AJ AJ 45 .   ? 1.289   13.639  -5.687  1.00 1.55  1   AJ 1 
HETATM 3829 C C40   . LIG_AJ AJ 45 .   ? 2.404   13.864  -5.797  1.00 1.67  1   AJ 1 
HETATM 3830 C C41   . LIG_AJ AJ 45 .   ? 3.503   14.138  -5.933  1.00 1.40  1   AJ 1 
HETATM 3831 C C42   . LIG_AJ AJ 45 .   ? 4.549   14.425  -6.092  1.00 1.41  1   AJ 1 
HETATM 3832 C C43   . LIG_AJ AJ 45 .   ? 5.596   14.683  -6.275  1.00 1.30  1   AJ 1 
HETATM 3833 C C44   . LIG_AJ AJ 45 .   ? 6.773   14.869  -6.520  1.00 1.33  1   AJ 1 
HETATM 3834 C C1    . LIG_BJ BJ 46 .   ? 14.330  7.867   -9.557  1.00 1.25  1   BJ 1 
HETATM 3835 C C2    . LIG_BJ BJ 46 .   ? 13.191  7.874   -9.018  1.00 1.29  1   BJ 1 
HETATM 3836 C C3    . LIG_BJ BJ 46 .   ? 12.208  7.288   -8.880  1.00 1.32  1   BJ 1 
HETATM 3837 C C4    . LIG_BJ BJ 46 .   ? 11.186  7.002   -8.461  1.00 1.35  1   BJ 1 
HETATM 3838 C C5    . LIG_BJ BJ 46 .   ? 10.238  6.419   -8.355  1.00 1.37  1   BJ 1 
HETATM 3839 C C6    . LIG_BJ BJ 46 .   ? 9.347   5.962   -7.905  1.00 1.27  1   BJ 1 
HETATM 3840 C C7    . LIG_BJ BJ 46 .   ? 8.465   5.348   -7.664  1.00 1.31  1   BJ 1 
HETATM 3841 C C8    . LIG_BJ BJ 46 .   ? 7.697   4.730   -7.258  1.00 1.41  1   BJ 1 
HETATM 3842 C C9    . LIG_BJ BJ 46 .   ? 6.854   4.129   -6.974  1.00 1.44  1   BJ 1 
HETATM 3843 C C10   . LIG_BJ BJ 46 .   ? 6.058   3.432   -6.664  1.00 1.54  1   BJ 1 
HETATM 3844 C C11   . LIG_BJ BJ 46 .   ? 5.146   2.844   -6.450  1.00 1.56  1   BJ 1 
HETATM 3845 C C12   . LIG_BJ BJ 46 .   ? 4.426   1.979   -6.380  1.00 1.78  1   BJ 1 
HETATM 3846 C C13   . LIG_BJ BJ 46 .   ? 3.426   1.445   -6.337  1.00 1.65  1   BJ 1 
HETATM 3847 C C14   . LIG_BJ BJ 46 .   ? 2.781   0.505   -6.513  1.00 1.83  1   BJ 1 
HETATM 3848 C C15   . LIG_BJ BJ 46 .   ? 1.730   0.027   -6.625  1.00 1.89  1   BJ 1 
HETATM 3849 C C16   . LIG_BJ BJ 46 .   ? 1.240   -1.053  -6.926  1.00 1.91  1   BJ 1 
HETATM 3850 C C17   . LIG_BJ BJ 46 .   ? 0.041   -1.332  -7.239  1.00 1.58  1   BJ 1 
HETATM 3851 C C18   . LIG_BJ BJ 46 .   ? -0.241  -2.633  -7.532  1.00 1.68  1   BJ 1 
HETATM 3852 O O1    . LIG_BJ BJ 46 .   ? -0.606  -3.376  -6.703  1.00 1.98  1   BJ 1 
HETATM 3853 O O2    . LIG_BJ BJ 46 .   ? -0.090  -2.933  -8.720  1.00 1.84  1   BJ 1 
HETATM 3854 C C19   . LIG_BJ BJ 46 .   ? -0.556  -4.126  -9.081  1.00 1.49  1   BJ 1 
HETATM 3855 C C20   . LIG_BJ BJ 46 .   ? 0.041   -4.573  -10.316 1.00 1.68  1   BJ 1 
HETATM 3856 C C21   . LIG_BJ BJ 46 .   ? -0.545  -5.884  -10.719 1.00 1.76  1   BJ 1 
HETATM 3857 O O3    . LIG_BJ BJ 46 .   ? -1.847  -5.934  -10.437 1.00 2.07  1   BJ 1 
HETATM 3858 P P1    . LIG_BJ BJ 46 .   ? -2.610  -7.266  -10.630 1.00 1.95  1   BJ 1 
HETATM 3859 O O4    . LIG_BJ BJ 46 .   ? -2.463  -7.675  -12.007 1.00 1.70  1   BJ 1 
HETATM 3860 O O5    . LIG_BJ BJ 46 .   ? -2.236  -8.182  -9.647  1.00 2.65  1   BJ 1 
HETATM 3861 O O6    . LIG_BJ BJ 46 .   ? -4.074  -6.789  -10.435 1.00 2.27  1   BJ 1 
HETATM 3862 C C22   . LIG_BJ BJ 46 .   ? -4.401  -5.848  -9.680  1.00 1.87  1   BJ 1 
HETATM 3863 C C23   . LIG_BJ BJ 46 .   ? -5.767  -5.618  -9.686  1.00 1.80  1   BJ 1 
HETATM 3864 N N1    . LIG_BJ BJ 46 .   ? -6.164  -4.538  -9.111  1.00 3.80  1   BJ 1 
HETATM 3865 O O7    . LIG_BJ BJ 46 .   ? 1.375   -4.785  -10.068 1.00 1.71  1   BJ 1 
HETATM 3866 C C24   . LIG_BJ BJ 46 .   ? 2.136   -4.878  -11.062 1.00 1.59  1   BJ 1 
HETATM 3867 O O8    . LIG_BJ BJ 46 .   ? 1.757   -4.784  -12.166 1.00 1.64  1   BJ 1 
HETATM 3868 C C25   . LIG_BJ BJ 46 .   ? 3.468   -5.083  -10.738 1.00 1.56  1   BJ 1 
HETATM 3869 C C26   . LIG_BJ BJ 46 .   ? 4.154   -3.925  -10.781 1.00 1.84  1   BJ 1 
HETATM 3870 C C27   . LIG_BJ BJ 46 .   ? 4.719   -3.414  -9.765  1.00 1.96  1   BJ 1 
HETATM 3871 C C28   . LIG_BJ BJ 46 .   ? 5.433   -2.420  -9.775  1.00 1.60  1   BJ 1 
HETATM 3872 C C29   . LIG_BJ BJ 46 .   ? 6.111   -1.804  -9.071  1.00 1.57  1   BJ 1 
HETATM 3873 C C30   . LIG_BJ BJ 46 .   ? 6.984   -1.092  -9.020  1.00 1.50  1   BJ 1 
HETATM 3874 C C31   . LIG_BJ BJ 46 .   ? 7.852   -0.563  -8.549  1.00 1.43  1   BJ 1 
HETATM 3875 C C32   . LIG_BJ BJ 46 .   ? 8.756   0.036   -8.397  1.00 1.45  1   BJ 1 
HETATM 3876 C C33   . LIG_BJ BJ 46 .   ? 9.564   0.595   -7.928  1.00 1.39  1   BJ 1 
HETATM 3877 C C34   . LIG_BJ BJ 46 .   ? 10.292  1.198   -7.446  1.00 1.37  1   BJ 1 
HETATM 3878 C C35   . LIG_BJ BJ 46 .   ? 10.888  1.745   -6.659  1.00 1.36  1   BJ 1 
HETATM 3879 C C36   . LIG_BJ BJ 46 .   ? 10.849  2.130   -5.600  1.00 1.50  1   BJ 1 
HETATM 3880 C C37   . LIG_BJ BJ 46 .   ? 11.468  2.640   -4.706  1.00 1.49  1   BJ 1 
HETATM 3881 C C38   . LIG_BJ BJ 46 .   ? 11.456  3.821   -4.493  1.00 1.39  1   BJ 1 
HETATM 3882 C C39   . LIG_BJ BJ 46 .   ? 12.166  4.744   -4.652  1.00 1.32  1   BJ 1 
HETATM 3883 C C40   . LIG_BJ BJ 46 .   ? 12.267  5.885   -4.548  1.00 1.31  1   BJ 1 
HETATM 3884 C C41   . LIG_BJ BJ 46 .   ? 13.086  6.796   -4.910  1.00 1.27  1   BJ 1 
HETATM 3885 C C1    . LIG_AK AK 47 .   ? 12.644  17.191  15.483  1.00 1.94  1   AK 1 
HETATM 3886 C C2    . LIG_AK AK 47 .   ? 12.761  17.949  14.734  1.00 2.18  1   AK 1 
HETATM 3887 C C3    . LIG_AK AK 47 .   ? 12.103  18.627  14.118  1.00 2.05  1   AK 1 
HETATM 3888 C C4    . LIG_AK AK 47 .   ? 11.218  19.150  13.671  1.00 2.31  1   AK 1 
HETATM 3889 C C5    . LIG_AK AK 47 .   ? 10.247  19.631  13.260  1.00 1.92  1   AK 1 
HETATM 3890 C C6    . LIG_AK AK 47 .   ? 9.203   20.002  12.955  1.00 1.69  1   AK 1 
HETATM 3891 C C7    . LIG_AK AK 47 .   ? 8.151   20.301  12.714  1.00 1.60  1   AK 1 
HETATM 3892 C C8    . LIG_AK AK 47 .   ? 7.069   20.568  12.558  1.00 1.56  1   AK 1 
HETATM 3893 C C9    . LIG_AK AK 47 .   ? 6.001   20.833  12.494  1.00 1.65  1   AK 1 
HETATM 3894 C C10   . LIG_AK AK 47 .   ? 4.894   21.108  12.521  1.00 1.71  1   AK 1 
HETATM 3895 C C11   . LIG_AK AK 47 .   ? 3.833   21.401  12.664  1.00 1.57  1   AK 1 
HETATM 3896 C C12   . LIG_AK AK 47 .   ? 2.776   21.736  12.897  1.00 1.58  1   AK 1 
HETATM 3897 C C13   . LIG_AK AK 47 .   ? 1.772   22.094  13.177  1.00 1.32  1   AK 1 
HETATM 3898 C C14   . LIG_AK AK 47 .   ? 0.732   22.452  13.490  1.00 1.32  1   AK 1 
HETATM 3899 C C15   . LIG_AK AK 47 .   ? -0.249  22.831  13.779  1.00 1.28  1   AK 1 
HETATM 3900 C C16   . LIG_AK AK 47 .   ? -1.306  23.191  14.093  1.00 1.29  1   AK 1 
HETATM 3901 C C17   . LIG_AK AK 47 .   ? -2.239  23.554  14.345  1.00 1.21  1   AK 1 
HETATM 3902 C C18   . LIG_AK AK 47 .   ? -3.409  23.875  14.751  1.00 1.25  1   AK 1 
HETATM 3903 O O1    . LIG_AK AK 47 .   ? -3.902  24.879  14.416  1.00 1.68  1   AK 1 
HETATM 3904 O O2    . LIG_AK AK 47 .   ? -3.938  23.047  15.439  1.00 1.55  1   AK 1 
HETATM 3905 C C19   . LIG_AK AK 47 .   ? -5.131  23.309  15.881  1.00 1.21  1   AK 1 
HETATM 3906 C C20   . LIG_AK AK 47 .   ? -5.580  22.271  16.772  1.00 1.23  1   AK 1 
HETATM 3907 C C21   . LIG_AK AK 47 .   ? -6.849  22.660  17.411  1.00 1.28  1   AK 1 
HETATM 3908 O O3    . LIG_AK AK 47 .   ? -7.657  21.616  17.460  1.00 1.30  1   AK 1 
HETATM 3909 P P1    . LIG_AK AK 47 .   ? -8.929  21.657  18.295  1.00 1.24  1   AK 1 
HETATM 3910 O O4    . LIG_AK AK 47 .   ? -9.729  20.569  17.848  1.00 1.18  1   AK 1 
HETATM 3911 O O5    . LIG_AK AK 47 .   ? -8.667  21.787  19.650  1.00 1.18  1   AK 1 
HETATM 3912 O O6    . LIG_AK AK 47 .   ? -9.524  22.973  17.813  1.00 1.30  1   AK 1 
HETATM 3913 C C22   . LIG_AK AK 47 .   ? -10.722 23.134  17.482  1.00 1.29  1   AK 1 
HETATM 3914 C C23   . LIG_AK AK 47 .   ? -10.939 24.404  16.967  1.00 1.30  1   AK 1 
HETATM 3915 N N1    . LIG_AK AK 47 .   ? -10.855 24.578  15.595  1.00 1.91  1   AK 1 
HETATM 3916 C C24   . LIG_AK AK 47 .   ? -11.712 25.620  15.234  1.00 1.31  1   AK 1 
HETATM 3917 C C25   . LIG_AK AK 47 .   ? -11.215 23.388  14.925  1.00 1.36  1   AK 1 
HETATM 3918 C C26   . LIG_AK AK 47 .   ? -9.527  24.919  15.255  1.00 1.39  1   AK 1 
HETATM 3919 O O7    . LIG_AK AK 47 .   ? -4.637  22.115  17.754  1.00 1.42  1   AK 1 
HETATM 3920 C C27   . LIG_AK AK 47 .   ? -4.409  20.941  18.144  1.00 1.40  1   AK 1 
HETATM 3921 O O8    . LIG_AK AK 47 .   ? -5.238  20.242  18.597  1.00 1.44  1   AK 1 
HETATM 3922 C C28   . LIG_AK AK 47 .   ? -3.210  20.562  17.996  1.00 1.31  1   AK 1 
HETATM 3923 C C29   . LIG_AK AK 47 .   ? -2.519  19.712  17.876  1.00 1.39  1   AK 1 
HETATM 3924 C C30   . LIG_AK AK 47 .   ? -1.600  19.145  17.650  1.00 1.40  1   AK 1 
HETATM 3925 C C31   . LIG_AK AK 47 .   ? -0.728  18.523  17.420  1.00 1.40  1   AK 1 
HETATM 3926 C C32   . LIG_AK AK 47 .   ? 0.205   18.020  17.204  1.00 1.53  1   AK 1 
HETATM 3927 C C33   . LIG_AK AK 47 .   ? 1.156   17.532  17.003  1.00 1.48  1   AK 1 
HETATM 3928 C C34   . LIG_AK AK 47 .   ? 2.161   17.121  16.841  1.00 1.47  1   AK 1 
HETATM 3929 C C35   . LIG_AK AK 47 .   ? 3.210   16.790  16.759  1.00 1.50  1   AK 1 
HETATM 3930 C C36   . LIG_AK AK 47 .   ? 4.291   16.518  16.743  1.00 1.58  1   AK 1 
HETATM 3931 C C37   . LIG_AK AK 47 .   ? 5.390   16.305  16.782  1.00 1.60  1   AK 1 
HETATM 3932 C C38   . LIG_AK AK 47 .   ? 6.513   16.118  16.858  1.00 1.48  1   AK 1 
HETATM 3933 C C39   . LIG_AK AK 47 .   ? 7.648   15.945  16.948  1.00 1.57  1   AK 1 
HETATM 3934 C C40   . LIG_AK AK 47 .   ? 8.771   15.811  17.027  1.00 1.88  1   AK 1 
HETATM 3935 C C41   . LIG_AK AK 47 .   ? 9.907   15.680  17.094  1.00 1.61  1   AK 1 
HETATM 3936 C C42   . LIG_AK AK 47 .   ? 11.000  15.551  17.148  1.00 1.68  1   AK 1 
HETATM 3937 C C43   . LIG_AK AK 47 .   ? 12.059  15.355  17.242  1.00 1.40  1   AK 1 
HETATM 3938 C C44   . LIG_AK AK 47 .   ? 13.230  15.045  17.349  1.00 1.49  1   AK 1 
HETATM 3939 C C1    . LIG_AL AL 48 .   ? 12.099  5.672   -16.908 1.00 2.13  1   AL 1 
HETATM 3940 C C2    . LIG_AL AL 48 .   ? 11.025  5.856   -16.965 1.00 2.31  1   AL 1 
HETATM 3941 C C3    . LIG_AL AL 48 .   ? 10.080  5.275   -16.859 1.00 2.03  1   AL 1 
HETATM 3942 C C4    . LIG_AL AL 48 .   ? 9.470   4.376   -16.782 1.00 2.45  1   AL 1 
HETATM 3943 C C5    . LIG_AL AL 48 .   ? 8.993   3.395   -16.693 1.00 2.07  1   AL 1 
HETATM 3944 C C6    . LIG_AL AL 48 .   ? 8.718   2.320   -16.583 1.00 1.86  1   AL 1 
HETATM 3945 C C7    . LIG_AL AL 48 .   ? 8.585   1.252   -16.449 1.00 1.82  1   AL 1 
HETATM 3946 C C8    . LIG_AL AL 48 .   ? 8.562   0.171   -16.259 1.00 1.81  1   AL 1 
HETATM 3947 C C9    . LIG_AL AL 48 .   ? 8.582   -0.889  -16.024 1.00 1.96  1   AL 1 
HETATM 3948 C C10   . LIG_AL AL 48 .   ? 8.597   -1.976  -15.717 1.00 2.01  1   AL 1 
HETATM 3949 C C11   . LIG_AL AL 48 .   ? 8.553   -3.017  -15.357 1.00 1.90  1   AL 1 
HETATM 3950 C C12   . LIG_AL AL 48 .   ? 8.466   -4.046  -14.935 1.00 1.97  1   AL 1 
HETATM 3951 C C13   . LIG_AL AL 48 .   ? 8.269   -5.059  -14.556 1.00 1.59  1   AL 1 
HETATM 3952 C C14   . LIG_AL AL 48 .   ? 8.061   -6.077  -14.128 1.00 1.64  1   AL 1 
HETATM 3953 C C15   . LIG_AL AL 48 .   ? 7.757   -7.081  -13.820 1.00 1.66  1   AL 1 
HETATM 3954 C C16   . LIG_AL AL 48 .   ? 7.483   -8.116  -13.371 1.00 1.69  1   AL 1 
HETATM 3955 C C17   . LIG_AL AL 48 .   ? 7.004   -9.129  -13.394 1.00 1.48  1   AL 1 
HETATM 3956 C C18   . LIG_AL AL 48 .   ? 6.788   -10.189 -12.716 1.00 1.82  1   AL 1 
HETATM 3957 O O1    . LIG_AL AL 48 .   ? 6.050   -11.029 -13.081 1.00 2.50  1   AL 1 
HETATM 3958 O O2    . LIG_AL AL 48 .   ? 7.436   -10.233 -11.689 1.00 2.47  1   AL 1 
HETATM 3959 C C19   . LIG_AL AL 48 .   ? 7.192   -11.181 -10.802 1.00 1.71  1   AL 1 
HETATM 3960 C C20   . LIG_AL AL 48 .   ? 8.102   -11.113 -9.663  1.00 2.45  1   AL 1 
HETATM 3961 C C21   . LIG_AL AL 48 .   ? 7.390   -11.450 -8.404  1.00 2.88  1   AL 1 
HETATM 3962 O O3    . LIG_AL AL 48 .   ? 6.460   -10.522 -8.235  1.00 3.32  1   AL 1 
HETATM 3963 P P1    . LIG_AL AL 48 .   ? 5.651   -10.376 -6.927  1.00 4.12  1   AL 1 
HETATM 3964 O O4    . LIG_AL AL 48 .   ? 5.232   -11.660 -6.461  1.00 3.34  1   AL 1 
HETATM 3965 O O5    . LIG_AL AL 48 .   ? 6.328   -9.529  -6.045  1.00 4.01  1   AL 1 
HETATM 3966 O O6    . LIG_AL AL 48 .   ? 4.468   -9.596  -7.498  1.00 3.36  1   AL 1 
HETATM 3967 C C22   . LIG_AL AL 48 .   ? 3.680   -10.092 -8.328  1.00 4.23  1   AL 1 
HETATM 3968 C C23   . LIG_AL AL 48 .   ? 2.942   -9.166  -9.031  1.00 3.47  1   AL 1 
HETATM 3969 N N1    . LIG_AL AL 48 .   ? 2.783   -9.407  -10.381 1.00 5.01  1   AL 1 
HETATM 3970 C C24   . LIG_AL AL 48 .   ? 4.016   -9.221  -11.016 1.00 2.81  1   AL 1 
HETATM 3971 C C25   . LIG_AL AL 48 .   ? 1.881   -8.501  -10.882 1.00 2.89  1   AL 1 
HETATM 3972 C C26   . LIG_AL AL 48 .   ? 2.330   -10.723 -10.600 1.00 3.37  1   AL 1 
HETATM 3973 O O7    . LIG_AL AL 48 .   ? 8.566   -9.825  -9.521  1.00 2.45  1   AL 1 
HETATM 3974 C C27   . LIG_AL AL 48 .   ? 9.754   -9.640  -9.885  1.00 2.36  1   AL 1 
HETATM 3975 O O8    . LIG_AL AL 48 .   ? 10.492  -10.518 -10.176 1.00 2.02  1   AL 1 
HETATM 3976 C C28   . LIG_AL AL 48 .   ? 10.049  -8.406  -9.971  1.00 1.87  1   AL 1 
HETATM 3977 C C29   . LIG_AL AL 48 .   ? 10.580  -7.670  -10.543 1.00 1.84  1   AL 1 
HETATM 3978 C C30   . LIG_AL AL 48 .   ? 10.953  -6.737  -10.956 1.00 1.86  1   AL 1 
HETATM 3979 C C31   . LIG_AL AL 48 .   ? 11.361  -5.852  -11.437 1.00 1.72  1   AL 1 
HETATM 3980 C C32   . LIG_AL AL 48 .   ? 11.740  -4.933  -11.858 1.00 1.80  1   AL 1 
HETATM 3981 C C33   . LIG_AL AL 48 .   ? 12.124  -3.998  -12.295 1.00 1.71  1   AL 1 
HETATM 3982 C C34   . LIG_AL AL 48 .   ? 12.496  -3.058  -12.706 1.00 1.65  1   AL 1 
HETATM 3983 C C35   . LIG_AL AL 48 .   ? 12.854  -2.099  -13.109 1.00 1.66  1   AL 1 
HETATM 3984 C C36   . LIG_AL AL 48 .   ? 13.174  -1.131  -13.508 1.00 1.77  1   AL 1 
HETATM 3985 C C37   . LIG_AL AL 48 .   ? 13.456  -0.142  -13.928 1.00 1.77  1   AL 1 
HETATM 3986 C C38   . LIG_AL AL 48 .   ? 13.701  0.858   -14.351 1.00 1.61  1   AL 1 
HETATM 3987 C C39   . LIG_AL AL 48 .   ? 13.897  1.862   -14.810 1.00 1.62  1   AL 1 
HETATM 3988 C C40   . LIG_AL AL 48 .   ? 14.029  2.849   -15.305 1.00 1.88  1   AL 1 
HETATM 3989 C C41   . LIG_AL AL 48 .   ? 14.125  3.829   -15.825 1.00 1.63  1   AL 1 
HETATM 3990 C C42   . LIG_AL AL 48 .   ? 14.202  4.766   -16.348 1.00 1.63  1   AL 1 
HETATM 3991 C C43   . LIG_AL AL 48 .   ? 14.340  5.686   -16.897 1.00 1.38  1   AL 1 
HETATM 3992 C C44   . LIG_AL AL 48 .   ? 14.587  6.696   -17.481 1.00 1.42  1   AL 1 
HETATM 3993 C C1    . LIG_AM AM 49 .   ? 12.042  25.181  1.656   1.00 1.31  1   AM 1 
HETATM 3994 C C2    . LIG_AM AM 49 .   ? 10.757  25.046  1.655   1.00 1.32  1   AM 1 
HETATM 3995 C C3    . LIG_AM AM 49 .   ? 9.930   25.215  2.558   1.00 1.29  1   AM 1 
HETATM 3996 C C4    . LIG_AM AM 49 .   ? 8.713   25.292  2.564   1.00 1.33  1   AM 1 
HETATM 3997 C C5    . LIG_AM AM 49 .   ? 7.816   25.548  3.274   1.00 1.35  1   AM 1 
HETATM 3998 C C6    . LIG_AM AM 49 .   ? 6.722   25.745  3.381   1.00 1.32  1   AM 1 
HETATM 3999 C C7    . LIG_AM AM 49 .   ? 5.699   25.908  3.626   1.00 1.31  1   AM 1 
HETATM 4000 C C8    . LIG_AM AM 49 .   ? 4.655   26.145  3.352   1.00 1.32  1   AM 1 
HETATM 4001 C C9    . LIG_AM AM 49 .   ? 3.631   26.310  3.156   1.00 1.30  1   AM 1 
HETATM 4002 C C10   . LIG_AM AM 49 .   ? 2.584   26.606  2.913   1.00 1.36  1   AM 1 
HETATM 4003 C C11   . LIG_AM AM 49 .   ? 1.505   26.725  2.681   1.00 1.36  1   AM 1 
HETATM 4004 C C12   . LIG_AM AM 49 .   ? 0.467   27.241  2.689   1.00 1.44  1   AM 1 
HETATM 4005 C C13   . LIG_AM AM 49 .   ? -0.676  27.284  2.555   1.00 1.33  1   AM 1 
HETATM 4006 C C14   . LIG_AM AM 49 .   ? -1.658  27.942  2.772   1.00 1.33  1   AM 1 
HETATM 4007 C C15   . LIG_AM AM 49 .   ? -2.835  27.958  2.736   1.00 1.28  1   AM 1 
HETATM 4008 C C16   . LIG_AM AM 49 .   ? -3.758  28.742  3.041   1.00 1.30  1   AM 1 
HETATM 4009 C C17   . LIG_AM AM 49 .   ? -4.953  28.603  3.094   1.00 1.20  1   AM 1 
HETATM 4010 C C18   . LIG_AM AM 49 .   ? -5.955  29.436  3.342   1.00 1.21  1   AM 1 
HETATM 4011 O O1    . LIG_AM AM 49 .   ? -6.683  29.775  2.484   1.00 1.44  1   AM 1 
HETATM 4012 O O2    . LIG_AM AM 49 .   ? -6.062  29.783  4.487   1.00 1.31  1   AM 1 
HETATM 4013 C C19   . LIG_AM AM 49 .   ? -7.060  30.591  4.766   1.00 1.17  1   AM 1 
HETATM 4014 C C20   . LIG_AM AM 49 .   ? -7.127  30.876  6.190   1.00 1.23  1   AM 1 
HETATM 4015 C C21   . LIG_AM AM 49 .   ? -8.275  31.814  6.380   1.00 1.26  1   AM 1 
HETATM 4016 O O3    . LIG_AM AM 49 .   ? -8.272  32.337  7.598   1.00 1.25  1   AM 1 
HETATM 4017 P P1    . LIG_AM AM 49 .   ? -9.538  33.036  8.119   1.00 1.24  1   AM 1 
HETATM 4018 O O4    . LIG_AM AM 49 .   ? -9.245  33.554  9.402   1.00 1.14  1   AM 1 
HETATM 4019 O O5    . LIG_AM AM 49 .   ? -10.066 33.858  7.110   1.00 1.12  1   AM 1 
HETATM 4020 O O6    . LIG_AM AM 49 .   ? -10.457 31.759  8.241   1.00 1.22  1   AM 1 
HETATM 4021 C C22   . LIG_AM AM 49 .   ? -11.136 31.428  9.285   1.00 1.20  1   AM 1 
HETATM 4022 C C23   . LIG_AM AM 49 .   ? -10.988 30.071  9.665   1.00 1.15  1   AM 1 
HETATM 4023 N N1    . LIG_AM AM 49 .   ? -11.652 29.141  8.873   1.00 1.57  1   AM 1 
HETATM 4024 C C24   . LIG_AM AM 49 .   ? -12.987 29.579  8.582   1.00 1.16  1   AM 1 
HETATM 4025 C C25   . LIG_AM AM 49 .   ? -11.684 27.946  9.567   1.00 1.23  1   AM 1 
HETATM 4026 C C26   . LIG_AM AM 49 .   ? -10.981 28.943  7.640   1.00 1.20  1   AM 1 
HETATM 4027 O O7    . LIG_AM AM 49 .   ? -5.963  31.469  6.607   1.00 1.25  1   AM 1 
HETATM 4028 C C27   . LIG_AM AM 49 .   ? -5.267  30.811  7.462   1.00 1.26  1   AM 1 
HETATM 4029 O O8    . LIG_AM AM 49 .   ? -5.710  29.824  7.977   1.00 1.29  1   AM 1 
HETATM 4030 C C28   . LIG_AM AM 49 .   ? -4.018  31.307  7.704   1.00 1.24  1   AM 1 
HETATM 4031 C C29   . LIG_AM AM 49 .   ? -3.055  30.450  7.542   1.00 1.33  1   AM 1 
HETATM 4032 C C30   . LIG_AM AM 49 .   ? -1.985  30.310  7.235   1.00 1.32  1   AM 1 
HETATM 4033 C C31   . LIG_AM AM 49 .   ? -1.015  29.701  6.932   1.00 1.31  1   AM 1 
HETATM 4034 C C32   . LIG_AM AM 49 .   ? 0.052   29.659  6.598   1.00 1.37  1   AM 1 
HETATM 4035 C C33   . LIG_AM AM 49 .   ? 1.092   29.518  6.277   1.00 1.37  1   AM 1 
HETATM 4036 C C34   . LIG_AM AM 49 .   ? 2.147   29.647  5.949   1.00 1.29  1   AM 1 
HETATM 4037 C C35   . LIG_AM AM 49 .   ? 3.180   29.776  5.623   1.00 1.30  1   AM 1 
HETATM 4038 C C36   . LIG_AM AM 49 .   ? 4.207   29.955  5.292   1.00 1.31  1   AM 1 
HETATM 4039 C C37   . LIG_AM AM 49 .   ? 5.232   30.051  4.948   1.00 1.35  1   AM 1 
HETATM 4040 C C38   . LIG_AM AM 49 .   ? 6.264   30.093  4.594   1.00 1.27  1   AM 1 
HETATM 4041 C C39   . LIG_AM AM 49 .   ? 7.281   30.052  4.218   1.00 1.27  1   AM 1 
HETATM 4042 C C40   . LIG_AM AM 49 .   ? 8.283   29.979  3.771   1.00 1.36  1   AM 1 
HETATM 4043 C C41   . LIG_AM AM 49 .   ? 9.212   29.861  3.198   1.00 1.26  1   AM 1 
HETATM 4044 C C42   . LIG_AM AM 49 .   ? 10.161  29.796  2.587   1.00 1.29  1   AM 1 
HETATM 4045 C C43   . LIG_AM AM 49 .   ? 11.039  29.709  1.965   1.00 1.19  1   AM 1 
HETATM 4046 C C44   . LIG_AM AM 49 .   ? 12.049  29.668  1.302   1.00 1.22  1   AM 1 
HETATM 4047 C C1    . LIG_AN AN 50 .   ? 6.066   19.106  2.847   1.00 1.96  1   AN 1 
HETATM 4048 C C2    . LIG_AN AN 50 .   ? 6.532   19.002  1.983   1.00 1.95  1   AN 1 
HETATM 4049 C C3    . LIG_AN AN 50 .   ? 5.913   18.757  1.269   1.00 1.80  1   AN 1 
HETATM 4050 C C4    . LIG_AN AN 50 .   ? 4.892   18.552  1.090   1.00 2.11  1   AN 1 
HETATM 4051 C C5    . LIG_AN AN 50 .   ? 3.855   18.436  1.151   1.00 1.99  1   AN 1 
HETATM 4052 C C6    . LIG_AN AN 50 .   ? 2.812   18.432  1.431   1.00 1.82  1   AN 1 
HETATM 4053 C C7    . LIG_AN AN 50 .   ? 1.846   18.557  1.814   1.00 1.73  1   AN 1 
HETATM 4054 C C8    . LIG_AN AN 50 .   ? 0.878   18.786  2.224   1.00 1.69  1   AN 1 
HETATM 4055 C C9    . LIG_AN AN 50 .   ? -0.066  19.084  2.610   1.00 1.78  1   AN 1 
HETATM 4056 C C10   . LIG_AN AN 50 .   ? -1.082  19.412  2.975   1.00 1.83  1   AN 1 
HETATM 4057 C C11   . LIG_AN AN 50 .   ? -2.094  19.732  3.239   1.00 1.71  1   AN 1 
HETATM 4058 C C12   . LIG_AN AN 50 .   ? -3.165  20.036  3.437   1.00 1.69  1   AN 1 
HETATM 4059 C C13   . LIG_AN AN 50 .   ? -4.234  20.308  3.503   1.00 1.38  1   AN 1 
HETATM 4060 C C14   . LIG_AN AN 50 .   ? -5.351  20.547  3.550   1.00 1.39  1   AN 1 
HETATM 4061 C C15   . LIG_AN AN 50 .   ? -6.416  20.754  3.482   1.00 1.32  1   AN 1 
HETATM 4062 C C16   . LIG_AN AN 50 .   ? -7.561  20.972  3.479   1.00 1.35  1   AN 1 
HETATM 4063 C C17   . LIG_AN AN 50 .   ? -8.587  21.142  3.277   1.00 1.24  1   AN 1 
HETATM 4064 C C18   . LIG_AN AN 50 .   ? -9.847  21.393  3.436   1.00 1.28  1   AN 1 
HETATM 4065 O O1    . LIG_AN AN 50 .   ? -10.242 22.300  4.053   1.00 1.73  1   AN 1 
HETATM 4066 O O2    . LIG_AN AN 50 .   ? -10.559 20.549  2.885   1.00 1.58  1   AN 1 
HETATM 4067 C C19   . LIG_AN AN 50 .   ? -11.862 20.635  3.052   1.00 1.25  1   AN 1 
HETATM 4068 C C20   . LIG_AN AN 50 .   ? -12.498 19.381  3.377   1.00 1.27  1   AN 1 
HETATM 4069 C C21   . LIG_AN AN 50 .   ? -13.911 19.599  3.824   1.00 1.29  1   AN 1 
HETATM 4070 O O3    . LIG_AN AN 50 .   ? -14.686 19.871  2.781   1.00 1.29  1   AN 1 
HETATM 4071 P P1    . LIG_AN AN 50 .   ? -16.034 20.603  2.965   1.00 1.21  1   AN 1 
HETATM 4072 O O4    . LIG_AN AN 50 .   ? -16.660 20.670  1.686   1.00 1.18  1   AN 1 
HETATM 4073 O O5    . LIG_AN AN 50 .   ? -16.743 20.064  4.043   1.00 1.17  1   AN 1 
HETATM 4074 O O6    . LIG_AN AN 50 .   ? -15.534 21.985  3.354   1.00 1.29  1   AN 1 
HETATM 4075 C C22   . LIG_AN AN 50 .   ? -15.134 22.867  2.500   1.00 1.30  1   AN 1 
HETATM 4076 C C23   . LIG_AN AN 50 .   ? -14.045 23.576  2.954   1.00 1.30  1   AN 1 
HETATM 4077 N N1    . LIG_AN AN 50 .   ? -14.231 24.896  3.238   1.00 1.89  1   AN 1 
HETATM 4078 C C24   . LIG_AN AN 50 .   ? -14.307 25.587  2.030   1.00 1.33  1   AN 1 
HETATM 4079 C C25   . LIG_AN AN 50 .   ? -15.427 25.071  3.976   1.00 1.37  1   AN 1 
HETATM 4080 C C26   . LIG_AN AN 50 .   ? -13.148 25.299  3.989   1.00 1.40  1   AN 1 
HETATM 4081 O O7    . LIG_AN AN 50 .   ? -11.854 18.808  4.435   1.00 1.45  1   AN 1 
HETATM 4082 C C27   . LIG_AN AN 50 .   ? -11.509 17.613  4.276   1.00 1.43  1   AN 1 
HETATM 4083 O O8    . LIG_AN AN 50 .   ? -12.053 16.881  3.536   1.00 1.48  1   AN 1 
HETATM 4084 C C28   . LIG_AN AN 50 .   ? -10.469 17.275  4.958   1.00 1.35  1   AN 1 
HETATM 4085 C C29   . LIG_AN AN 50 .   ? -9.431  17.242  5.213   1.00 1.44  1   AN 1 
HETATM 4086 C C30   . LIG_AN AN 50 .   ? -8.367  17.108  5.584   1.00 1.46  1   AN 1 
HETATM 4087 C C31   . LIG_AN AN 50 .   ? -7.293  17.049  5.821   1.00 1.43  1   AN 1 
HETATM 4088 C C32   . LIG_AN AN 50 .   ? -6.219  16.986  6.086   1.00 1.56  1   AN 1 
HETATM 4089 C C33   . LIG_AN AN 50 .   ? -5.123  16.979  6.277   1.00 1.50  1   AN 1 
HETATM 4090 C C34   . LIG_AN AN 50 .   ? -4.014  16.993  6.422   1.00 1.52  1   AN 1 
HETATM 4091 C C35   . LIG_AN AN 50 .   ? -2.906  17.074  6.496   1.00 1.51  1   AN 1 
HETATM 4092 C C36   . LIG_AN AN 50 .   ? -1.795  17.220  6.481   1.00 1.64  1   AN 1 
HETATM 4093 C C37   . LIG_AN AN 50 .   ? -0.681  17.410  6.373   1.00 1.63  1   AN 1 
HETATM 4094 C C38   . LIG_AN AN 50 .   ? 0.423   17.651  6.174   1.00 1.50  1   AN 1 
HETATM 4095 C C39   . LIG_AN AN 50 .   ? 1.514   17.903  5.901   1.00 1.56  1   AN 1 
HETATM 4096 C C40   . LIG_AN AN 50 .   ? 2.567   18.145  5.559   1.00 1.78  1   AN 1 
HETATM 4097 C C41   . LIG_AN AN 50 .   ? 3.586   18.377  5.195   1.00 1.48  1   AN 1 
HETATM 4098 C C42   . LIG_AN AN 50 .   ? 4.519   18.584  4.777   1.00 1.51  1   AN 1 
HETATM 4099 C C43   . LIG_AN AN 50 .   ? 5.397   18.719  4.298   1.00 1.33  1   AN 1 
HETATM 4100 C C44   . LIG_AN AN 50 .   ? 6.401   18.877  3.730   1.00 1.38  1   AN 1 
HETATM 4101 C C1    . LIG_AO AO 51 .   ? 6.014   20.517  -16.778 1.00 1.95  1   AO 1 
HETATM 4102 C C2    . LIG_AO AO 51 .   ? 5.836   21.189  -16.131 1.00 2.20  1   AO 1 
HETATM 4103 C C3    . LIG_AO AO 51 .   ? 4.953   21.670  -15.714 1.00 1.99  1   AO 1 
HETATM 4104 C C4    . LIG_AO AO 51 .   ? 3.931   21.954  -15.560 1.00 2.33  1   AO 1 
HETATM 4105 C C5    . LIG_AO AO 51 .   ? 2.873   22.222  -15.467 1.00 2.02  1   AO 1 
HETATM 4106 C C6    . LIG_AO AO 51 .   ? 1.780   22.459  -15.473 1.00 1.81  1   AO 1 
HETATM 4107 C C7    . LIG_AO AO 51 .   ? 0.712   22.700  -15.509 1.00 1.67  1   AO 1 
HETATM 4108 C C8    . LIG_AO AO 51 .   ? -0.368  22.939  -15.573 1.00 1.74  1   AO 1 
HETATM 4109 C C9    . LIG_AO AO 51 .   ? -1.430  23.174  -15.625 1.00 1.75  1   AO 1 
HETATM 4110 C C10   . LIG_AO AO 51 .   ? -2.548  23.421  -15.705 1.00 1.77  1   AO 1 
HETATM 4111 C C11   . LIG_AO AO 51 .   ? -3.640  23.647  -15.799 1.00 1.68  1   AO 1 
HETATM 4112 C C12   . LIG_AO AO 51 .   ? -4.755  23.857  -15.925 1.00 1.65  1   AO 1 
HETATM 4113 C C13   . LIG_AO AO 51 .   ? -5.848  24.054  -16.056 1.00 1.40  1   AO 1 
HETATM 4114 C C14   . LIG_AO AO 51 .   ? -6.971  24.209  -16.236 1.00 1.37  1   AO 1 
HETATM 4115 C C15   . LIG_AO AO 51 .   ? -8.047  24.383  -16.407 1.00 1.34  1   AO 1 
HETATM 4116 C C16   . LIG_AO AO 51 .   ? -9.177  24.506  -16.640 1.00 1.35  1   AO 1 
HETATM 4117 C C17   . LIG_AO AO 51 .   ? -10.195 24.700  -16.790 1.00 1.24  1   AO 1 
HETATM 4118 C C18   . LIG_AO AO 51 .   ? -11.431 24.708  -17.118 1.00 1.28  1   AO 1 
HETATM 4119 O O1    . LIG_AO AO 51 .   ? -12.198 25.442  -16.632 1.00 1.69  1   AO 1 
HETATM 4120 O O2    . LIG_AO AO 51 .   ? -11.718 23.870  -17.947 1.00 1.54  1   AO 1 
HETATM 4121 C C19   . LIG_AO AO 51 .   ? -12.980 23.734  -18.320 1.00 1.26  1   AO 1 
HETATM 4122 C C20   . LIG_AO AO 51 .   ? -13.096 22.891  -19.485 1.00 1.28  1   AO 1 
HETATM 4123 C C21   . LIG_AO AO 51 .   ? -14.463 22.410  -19.775 1.00 1.32  1   AO 1 
HETATM 4124 O O3    . LIG_AO AO 51 .   ? -15.347 23.018  -19.061 1.00 1.29  1   AO 1 
HETATM 4125 P P1    . LIG_AO AO 51 .   ? -16.275 24.096  -19.659 1.00 1.27  1   AO 1 
HETATM 4126 O O4    . LIG_AO AO 51 .   ? -17.488 23.465  -20.071 1.00 1.21  1   AO 1 
HETATM 4127 O O5    . LIG_AO AO 51 .   ? -15.617 24.882  -20.553 1.00 1.19  1   AO 1 
HETATM 4128 O O6    . LIG_AO AO 51 .   ? -16.411 24.768  -18.296 1.00 1.31  1   AO 1 
HETATM 4129 C C22   . LIG_AO AO 51 .   ? -17.463 24.996  -17.648 1.00 1.31  1   AO 1 
HETATM 4130 C C23   . LIG_AO AO 51 .   ? -17.323 25.112  -16.277 1.00 1.28  1   AO 1 
HETATM 4131 N N1    . LIG_AO AO 51 .   ? -18.418 24.651  -15.601 1.00 1.77  1   AO 1 
HETATM 4132 C C24   . LIG_AO AO 51 .   ? -19.592 25.337  -16.022 1.00 1.31  1   AO 1 
HETATM 4133 C C25   . LIG_AO AO 51 .   ? -18.577 23.279  -15.879 1.00 1.35  1   AO 1 
HETATM 4134 C C26   . LIG_AO AO 51 .   ? -18.207 24.816  -14.251 1.00 1.36  1   AO 1 
HETATM 4135 O O7    . LIG_AO AO 51 .   ? -12.372 21.747  -19.240 1.00 1.44  1   AO 1 
HETATM 4136 C C27   . LIG_AO AO 51 .   ? -11.426 21.576  -20.048 1.00 1.43  1   AO 1 
HETATM 4137 O O8    . LIG_AO AO 51 .   ? -11.373 22.155  -21.080 1.00 1.48  1   AO 1 
HETATM 4138 C C28   . LIG_AO AO 51 .   ? -10.480 20.793  -19.656 1.00 1.33  1   AO 1 
HETATM 4139 C C29   . LIG_AO AO 51 .   ? -9.364  20.693  -19.692 1.00 1.41  1   AO 1 
HETATM 4140 C C30   . LIG_AO AO 51 .   ? -8.299  20.418  -19.492 1.00 1.40  1   AO 1 
HETATM 4141 C C31   . LIG_AO AO 51 .   ? -7.209  20.281  -19.319 1.00 1.38  1   AO 1 
HETATM 4142 C C32   . LIG_AO AO 51 .   ? -6.140  20.083  -19.089 1.00 1.53  1   AO 1 
HETATM 4143 C C33   . LIG_AO AO 51 .   ? -5.059  19.926  -18.859 1.00 1.50  1   AO 1 
HETATM 4144 C C34   . LIG_AO AO 51 .   ? -3.972  19.764  -18.612 1.00 1.56  1   AO 1 
HETATM 4145 C C35   . LIG_AO AO 51 .   ? -2.875  19.602  -18.390 1.00 1.53  1   AO 1 
HETATM 4146 C C36   . LIG_AO AO 51 .   ? -1.770  19.457  -18.207 1.00 1.65  1   AO 1 
HETATM 4147 C C37   . LIG_AO AO 51 .   ? -0.652  19.331  -18.058 1.00 1.68  1   AO 1 
HETATM 4148 C C38   . LIG_AO AO 51 .   ? 0.473   19.211  -17.961 1.00 1.54  1   AO 1 
HETATM 4149 C C39   . LIG_AO AO 51 .   ? 1.614   19.119  -17.916 1.00 1.60  1   AO 1 
HETATM 4150 C C40   . LIG_AO AO 51 .   ? 2.745   19.064  -17.890 1.00 1.87  1   AO 1 
HETATM 4151 C C41   . LIG_AO AO 51 .   ? 3.878   19.047  -17.895 1.00 1.59  1   AO 1 
HETATM 4152 C C42   . LIG_AO AO 51 .   ? 4.971   19.060  -17.924 1.00 1.62  1   AO 1 
HETATM 4153 C C43   . LIG_AO AO 51 .   ? 6.045   19.002  -17.998 1.00 1.37  1   AO 1 
HETATM 4154 C C44   . LIG_AO AO 51 .   ? 7.221   18.878  -18.153 1.00 1.45  1   AO 1 
HETATM 4155 C C1    . LIG_AP AP 52 .   ? 9.939   -0.786  2.983   1.00 3.03  1   AP 1 
HETATM 4156 C C2    . LIG_AP AP 52 .   ? 10.728  -0.242  2.653   1.00 3.46  1   AP 1 
HETATM 4157 C C3    . LIG_AP AP 52 .   ? 11.503  0.368   3.132   1.00 2.88  1   AP 1 
HETATM 4158 C C4    . LIG_AP AP 52 .   ? 12.103  0.758   3.933   1.00 2.97  1   AP 1 
HETATM 4159 C C5    . LIG_AP AP 52 .   ? 12.615  1.084   4.841   1.00 2.60  1   AP 1 
HETATM 4160 C C6    . LIG_AP AP 52 .   ? 12.966  1.208   5.851   1.00 2.49  1   AP 1 
HETATM 4161 C C7    . LIG_AP AP 52 .   ? 13.224  1.222   6.888   1.00 2.10  1   AP 1 
HETATM 4162 C C8    . LIG_AP AP 52 .   ? 13.335  1.007   7.948   1.00 2.15  1   AP 1 
HETATM 4163 C C9    . LIG_AP AP 52 .   ? 13.394  0.658   8.957   1.00 2.24  1   AP 1 
HETATM 4164 C C10   . LIG_AP AP 52 .   ? 13.421  0.207   9.976   1.00 2.40  1   AP 1 
HETATM 4165 C C11   . LIG_AP AP 52 .   ? 13.462  -0.259  10.957  1.00 2.49  1   AP 1 
HETATM 4166 C C12   . LIG_AP AP 52 .   ? 13.510  -0.768  11.937  1.00 2.77  1   AP 1 
HETATM 4167 C C13   . LIG_AP AP 52 .   ? 13.571  -1.213  12.924  1.00 2.20  1   AP 1 
HETATM 4168 C C14   . LIG_AP AP 52 .   ? 13.598  -1.757  13.894  1.00 2.35  1   AP 1 
HETATM 4169 C C15   . LIG_AP AP 52 .   ? 13.707  -2.185  14.888  1.00 2.18  1   AP 1 
HETATM 4170 C C16   . LIG_AP AP 52 .   ? 13.703  -2.829  15.826  1.00 2.51  1   AP 1 
HETATM 4171 C C17   . LIG_AP AP 52 .   ? 13.871  -3.174  16.846  1.00 1.98  1   AP 1 
HETATM 4172 C C18   . LIG_AP AP 52 .   ? 13.689  -4.165  17.641  1.00 2.45  1   AP 1 
HETATM 4173 O O1    . LIG_AP AP 52 .   ? 14.046  -4.147  18.750  1.00 4.04  1   AP 1 
HETATM 4174 O O2    . LIG_AP AP 52 .   ? 13.089  -5.095  17.080  1.00 3.86  1   AP 1 
HETATM 4175 C C19   . LIG_AP AP 52 .   ? 12.945  -6.219  17.702  1.00 2.80  1   AP 1 
HETATM 4176 C C20   . LIG_AP AP 52 .   ? 11.617  -6.491  18.197  1.00 3.37  1   AP 1 
HETATM 4177 C C21   . LIG_AP AP 52 .   ? 11.359  -7.940  18.153  1.00 4.32  1   AP 1 
HETATM 4178 O O3    . LIG_AP AP 52 .   ? 12.002  -8.552  19.127  1.00 3.56  1   AP 1 
HETATM 4179 P P1    . LIG_AP AP 52 .   ? 11.374  -9.780  19.802  1.00 5.56  1   AP 1 
HETATM 4180 O O4    . LIG_AP AP 52 .   ? 12.389  -10.402 20.577  1.00 3.24  1   AP 1 
HETATM 4181 O O5    . LIG_AP AP 52 .   ? 10.638  -10.524 18.885  1.00 4.63  1   AP 1 
HETATM 4182 O O6    . LIG_AP AP 52 .   ? 10.374  -9.066  20.744  1.00 4.54  1   AP 1 
HETATM 4183 C C22   . LIG_AP AP 52 .   ? 9.492   -9.652  21.431  1.00 5.70  1   AP 1 
HETATM 4184 C C23   . LIG_AP AP 52 .   ? 8.382   -8.845  21.718  1.00 6.12  1   AP 1 
HETATM 4185 N N1    . LIG_AP AP 52 .   ? 7.421   -9.441  22.492  1.00 8.19  1   AP 1 
HETATM 4186 C C24   . LIG_AP AP 52 .   ? 6.299   -8.607  22.505  1.00 5.28  1   AP 1 
HETATM 4187 C C25   . LIG_AP AP 52 .   ? 7.079   -10.705 21.958  1.00 5.79  1   AP 1 
HETATM 4188 C C26   . LIG_AP AP 52 .   ? 7.887   -9.580  23.810  1.00 5.21  1   AP 1 
HETATM 4189 O O7    . LIG_AP AP 52 .   ? 10.649  -5.912  17.418  1.00 3.43  1   AP 1 
HETATM 4190 C C27   . LIG_AP AP 52 .   ? 9.854   -5.171  18.055  1.00 3.99  1   AP 1 
HETATM 4191 O O8    . LIG_AP AP 52 .   ? 9.877   -5.058  19.228  1.00 2.81  1   AP 1 
HETATM 4192 C C28   . LIG_AP AP 52 .   ? 9.084   -4.500  17.323  1.00 3.51  1   AP 1 
HETATM 4193 C C29   . LIG_AP AP 52 .   ? 8.981   -3.644  16.693  1.00 3.45  1   AP 1 
HETATM 4194 C C30   . LIG_AP AP 52 .   ? 8.685   -2.884  15.987  1.00 3.24  1   AP 1 
HETATM 4195 C C31   . LIG_AP AP 52 .   ? 8.538   -2.142  15.221  1.00 2.87  1   AP 1 
HETATM 4196 C C32   . LIG_AP AP 52 .   ? 8.394   -1.507  14.366  1.00 3.18  1   AP 1 
HETATM 4197 C C33   . LIG_AP AP 52 .   ? 8.333   -0.968  13.436  1.00 2.94  1   AP 1 
HETATM 4198 C C34   . LIG_AP AP 52 .   ? 8.278   -0.516  12.455  1.00 2.87  1   AP 1 
HETATM 4199 C C35   . LIG_AP AP 52 .   ? 8.280   -0.166  11.448  1.00 2.60  1   AP 1 
HETATM 4200 C C36   . LIG_AP AP 52 .   ? 8.301   0.064   10.392  1.00 2.84  1   AP 1 
HETATM 4201 C C37   . LIG_AP AP 52 .   ? 8.294   0.065   9.306   1.00 2.86  1   AP 1 
HETATM 4202 C C38   . LIG_AP AP 52 .   ? 8.235   -0.189  8.249   1.00 2.52  1   AP 1 
HETATM 4203 C C39   . LIG_AP AP 52 .   ? 8.163   -0.527  7.215   1.00 2.78  1   AP 1 
HETATM 4204 C C40   . LIG_AP AP 52 .   ? 8.099   -0.929  6.207   1.00 3.55  1   AP 1 
HETATM 4205 C C41   . LIG_AP AP 52 .   ? 8.045   -1.349  5.209   1.00 2.92  1   AP 1 
HETATM 4206 C C42   . LIG_AP AP 52 .   ? 7.991   -1.749  4.230   1.00 3.05  1   AP 1 
HETATM 4207 C C43   . LIG_AP AP 52 .   ? 7.893   -2.187  3.263   1.00 2.48  1   AP 1 
HETATM 4208 C C44   . LIG_AP AP 52 .   ? 7.745   -2.718  2.231   1.00 2.38  1   AP 1 
HETATM 4209 C C1    . LIG_AQ AQ 53 .   ? 7.319   23.928  -1.109  1.00 1.98  1   AQ 1 
HETATM 4210 C C2    . LIG_AQ AQ 53 .   ? 7.550   23.129  -0.650  1.00 2.05  1   AQ 1 
HETATM 4211 C C3    . LIG_AQ AQ 53 .   ? 6.841   22.667  -0.017  1.00 1.91  1   AQ 1 
HETATM 4212 C C4    . LIG_AQ AQ 53 .   ? 5.891   22.577  0.501   1.00 2.22  1   AQ 1 
HETATM 4213 C C5    . LIG_AQ AQ 53 .   ? 4.920   22.475  0.994   1.00 1.97  1   AQ 1 
HETATM 4214 C C6    . LIG_AQ AQ 53 .   ? 3.899   22.460  1.409   1.00 1.82  1   AQ 1 
HETATM 4215 C C7    . LIG_AQ AQ 53 .   ? 2.871   22.512  1.744   1.00 1.67  1   AQ 1 
HETATM 4216 C C8    . LIG_AQ AQ 53 .   ? 1.815   22.649  2.016   1.00 1.67  1   AQ 1 
HETATM 4217 C C9    . LIG_AQ AQ 53 .   ? 0.769   22.858  2.212   1.00 1.74  1   AQ 1 
HETATM 4218 C C10   . LIG_AQ AQ 53 .   ? -0.322  23.120  2.380   1.00 1.78  1   AQ 1 
HETATM 4219 C C11   . LIG_AQ AQ 53 .   ? -1.374  23.414  2.533   1.00 1.66  1   AQ 1 
HETATM 4220 C C12   . LIG_AQ AQ 53 .   ? -2.438  23.738  2.703   1.00 1.66  1   AQ 1 
HETATM 4221 C C13   . LIG_AQ AQ 53 .   ? -3.471  24.069  2.906   1.00 1.36  1   AQ 1 
HETATM 4222 C C14   . LIG_AQ AQ 53 .   ? -4.514  24.442  3.160   1.00 1.34  1   AQ 1 
HETATM 4223 C C15   . LIG_AQ AQ 53 .   ? -5.489  24.836  3.419   1.00 1.30  1   AQ 1 
HETATM 4224 C C16   . LIG_AQ AQ 53 .   ? -6.500  25.299  3.771   1.00 1.32  1   AQ 1 
HETATM 4225 C C17   . LIG_AQ AQ 53 .   ? -7.355  25.793  4.031   1.00 1.24  1   AQ 1 
HETATM 4226 C C18   . LIG_AQ AQ 53 .   ? -8.414  26.407  4.472   1.00 1.25  1   AQ 1 
HETATM 4227 O O1    . LIG_AQ AQ 53 .   ? -8.807  26.313  5.556   1.00 1.67  1   AQ 1 
HETATM 4228 O O2    . LIG_AQ AQ 53 .   ? -8.909  27.083  3.611   1.00 1.54  1   AQ 1 
HETATM 4229 C C19   . LIG_AQ AQ 53 .   ? -10.041 27.727  3.839   1.00 1.25  1   AQ 1 
HETATM 4230 C C20   . LIG_AQ AQ 53 .   ? -10.634 28.083  2.564   1.00 1.24  1   AQ 1 
HETATM 4231 C C21   . LIG_AQ AQ 53 .   ? -12.011 28.606  2.644   1.00 1.31  1   AQ 1 
HETATM 4232 O O3    . LIG_AQ AQ 53 .   ? -12.186 29.439  3.632   1.00 1.29  1   AQ 1 
HETATM 4233 P P1    . LIG_AQ AQ 53 .   ? -13.335 30.471  3.633   1.00 1.24  1   AQ 1 
HETATM 4234 O O4    . LIG_AQ AQ 53 .   ? -14.128 30.325  2.465   1.00 1.20  1   AQ 1 
HETATM 4235 O O5    . LIG_AQ AQ 53 .   ? -13.963 30.393  4.885   1.00 1.18  1   AQ 1 
HETATM 4236 O O6    . LIG_AQ AQ 53 .   ? -12.534 31.783  3.592   1.00 1.29  1   AQ 1 
HETATM 4237 C C22   . LIG_AQ AQ 53 .   ? -11.603 32.027  2.811   1.00 1.31  1   AQ 1 
HETATM 4238 C C23   . LIG_AQ AQ 53 .   ? -11.481 33.319  2.355   1.00 1.33  1   AQ 1 
HETATM 4239 N N1    . LIG_AQ AQ 53 .   ? -10.228 33.734  2.002   1.00 1.95  1   AQ 1 
HETATM 4240 C C24   . LIG_AQ AQ 53 .   ? -9.456  32.667  1.535   1.00 1.39  1   AQ 1 
HETATM 4241 C C25   . LIG_AQ AQ 53 .   ? -9.602  34.275  3.126   1.00 1.41  1   AQ 1 
HETATM 4242 C C26   . LIG_AQ AQ 53 .   ? -10.338 34.700  1.014   1.00 1.45  1   AQ 1 
HETATM 4243 O O7    . LIG_AQ AQ 53 .   ? -10.740 26.899  1.838   1.00 1.41  1   AQ 1 
HETATM 4244 C C27   . LIG_AQ AQ 53 .   ? -10.433 26.980  0.629   1.00 1.40  1   AQ 1 
HETATM 4245 O O8    . LIG_AQ AQ 53 .   ? -10.673 27.948  -0.007  1.00 1.43  1   AQ 1 
HETATM 4246 C C28   . LIG_AQ AQ 53 .   ? -9.728  26.011  0.138   1.00 1.32  1   AQ 1 
HETATM 4247 C C29   . LIG_AQ AQ 53 .   ? -8.673  26.012  -0.355  1.00 1.40  1   AQ 1 
HETATM 4248 C C30   . LIG_AQ AQ 53 .   ? -7.613  26.099  -0.620  1.00 1.41  1   AQ 1 
HETATM 4249 C C31   . LIG_AQ AQ 53 .   ? -6.521  26.214  -0.919  1.00 1.37  1   AQ 1 
HETATM 4250 C C32   . LIG_AQ AQ 53 .   ? -5.442  26.308  -1.152  1.00 1.52  1   AQ 1 
HETATM 4251 C C33   . LIG_AQ AQ 53 .   ? -4.349  26.433  -1.377  1.00 1.49  1   AQ 1 
HETATM 4252 C C34   . LIG_AQ AQ 53 .   ? -3.247  26.545  -1.578  1.00 1.52  1   AQ 1 
HETATM 4253 C C35   . LIG_AQ AQ 53 .   ? -2.139  26.668  -1.743  1.00 1.51  1   AQ 1 
HETATM 4254 C C36   . LIG_AQ AQ 53 .   ? -1.021  26.744  -1.832  1.00 1.64  1   AQ 1 
HETATM 4255 C C37   . LIG_AQ AQ 53 .   ? 0.103   26.778  -1.880  1.00 1.63  1   AQ 1 
HETATM 4256 C C38   . LIG_AQ AQ 53 .   ? 1.244   26.726  -1.892  1.00 1.53  1   AQ 1 
HETATM 4257 C C39   . LIG_AQ AQ 53 .   ? 2.394   26.599  -1.886  1.00 1.56  1   AQ 1 
HETATM 4258 C C40   . LIG_AQ AQ 53 .   ? 3.526   26.392  -1.875  1.00 1.83  1   AQ 1 
HETATM 4259 C C41   . LIG_AQ AQ 53 .   ? 4.629   26.137  -1.866  1.00 1.55  1   AQ 1 
HETATM 4260 C C42   . LIG_AQ AQ 53 .   ? 5.685   25.865  -1.854  1.00 1.59  1   AQ 1 
HETATM 4261 C C43   . LIG_AQ AQ 53 .   ? 6.718   25.627  -1.857  1.00 1.35  1   AQ 1 
HETATM 4262 C C44   . LIG_AQ AQ 53 .   ? 7.940   25.524  -1.923  1.00 1.41  1   AQ 1 
#
