# 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-far-30dopc-10dope-10dopa-charge2
#
_entry.id atrop9short-far-30dopc-10dope-10dopa-charge2
#
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" 
"C15 H26"       206.367 FAR    . FARNESYL        C\C=C(/C)\CC\C=C(/C)\CCC=C(C)C                                                            ? NON-POLYMER         
"C5 H10 N2 O3"  146.144 GLN    y GLUTAMINE       C(CC(=O)N)[C@@H](C(=O)O)N                                                                 ? "L-PEPTIDE LINKING" 
"C5 H9 N O4"    147.129 GLU    y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N                                                                 ? "L-PEPTIDE LINKING" 
"C2 H5 N O2"    75.067  GLY    y GLYCINE         C(C(=O)O)N                                                                                ? "PEPTIDE LINKING"   
"C6 H10 N3 O2"  156.162 HIS    y HISTIDINE       c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N                                                          ? "L-PEPTIDE LINKING" 
"C6 H13 N O2"   131.173 ILE    y ISOLEUCINE      CC[C@H](C)[C@@H](C(=O)O)N                                                                 ? "L-PEPTIDE LINKING" 
"C6 H13 N O2"   131.173 LEU    y LEUCINE         CC(C)C[C@@H](C(=O)O)N                                                                     ? "L-PEPTIDE LINKING" 
?               ?       LIG_AA ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_AB ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_AC ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_AD ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_AE ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_AF ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_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_C  ? ?               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_D  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_DA ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC           ? non-polymer         
?               ?       LIG_DB ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC           ? non-polymer         
?               ?       LIG_DC ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC           ? non-polymer         
?               ?       LIG_DD ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC           ? non-polymer         
?               ?       LIG_DE ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC           ? non-polymer         
?               ?       LIG_DF ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC           ? non-polymer         
?               ?       LIG_DG ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC           ? non-polymer         
?               ?       LIG_DH ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC           ? non-polymer         
?               ?       LIG_DI ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC           ? non-polymer         
?               ?       LIG_DJ ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\\CCCCCCCC           ? non-polymer         
?               ?       LIG_E  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_F  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_G  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_H  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_I  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_J  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_K  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_L  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_M  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_N  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_O  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_P  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_Q  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_R  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_S  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_T  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_U  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_V  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_W  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_X  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_Y  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_Z  ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
"C6 H15 N2 O2"  147.195 LYS    y LYSINE          C(CC[NH3+])C[C@@H](C(=O)O)N                                                               ? "L-PEPTIDE LINKING" 
"C5 H11 N O2 S" 149.211 MET    y METHIONINE      CSCC[C@@H](C(=O)O)N                                                                       ? "L-PEPTIDE LINKING" 
"C9 H11 N O2"   165.189 PHE    y PHENYLALANINE   c1ccc(cc1)C[C@@H](C(=O)O)N                                                                ? "L-PEPTIDE LINKING" 
"C5 H9 N O2"    115.130 PRO    y PROLINE         C1C[C@H](NC1)C(=O)O                                                                       ? "L-PEPTIDE LINKING" 
"C3 H7 N O3"    105.093 SER    y SERINE          C([C@@H](C(=O)O)N)O                                                                       ? "L-PEPTIDE LINKING" 
"C4 H9 N O3"    119.119 THR    y THREONINE       C[C@H]([C@@H](C(=O)O)N)O                                                                  ? "L-PEPTIDE LINKING" 
"C11 H12 N2 O2" 204.225 TRP    y TRYPTOPHAN      c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N                                                      ? "L-PEPTIDE LINKING" 
"C9 H11 N O3"   181.189 TYR    y TYROSINE        c1cc(ccc1C[C@@H](C(=O)O)N)O                                                               ? "L-PEPTIDE LINKING" 
"C5 H11 N O2"   117.146 VAL    y VALINE          CC(C)[C@@H](C(=O)O)N                                                                      ? "L-PEPTIDE LINKING" 
#
_citation.book_publisher          ?
_citation.country                 UK
_citation.id                      primary
_citation.journal_full            Nature
_citation.journal_id_ASTM         NATUAS
_citation.journal_id_CSD          0006
_citation.journal_id_ISSN         0028-0836
_citation.journal_volume          630
_citation.page_first              493
_citation.page_last               500
_citation.pdbx_database_id_DOI    10.1038/s41586-024-07487-w
_citation.pdbx_database_id_PubMed 38718835
_citation.title                   "Accurate structure prediction of biomolecular interactions with AlphaFold 3"
_citation.year                    2024
#
loop_
_citation_author.citation_id
_citation_author.name
_citation_author.ordinal
primary "Google DeepMind" 1 
primary "Isomorphic Labs" 2 
#
loop_
_entity.id
_entity.pdbx_description
_entity.type
1  . polymer     
2  . non-polymer 
3  . non-polymer 
4  . non-polymer 
5  . non-polymer 
6  . non-polymer 
7  . non-polymer 
8  . non-polymer 
9  . non-polymer 
10 . non-polymer 
11 . non-polymer 
12 . non-polymer 
13 . non-polymer 
14 . non-polymer 
15 . non-polymer 
16 . non-polymer 
17 . non-polymer 
18 . non-polymer 
19 . non-polymer 
20 . non-polymer 
21 . non-polymer 
22 . non-polymer 
23 . non-polymer 
24 . non-polymer 
25 . non-polymer 
26 . non-polymer 
27 . non-polymer 
28 . non-polymer 
29 . non-polymer 
30 . non-polymer 
31 . non-polymer 
32 . non-polymer 
33 . non-polymer 
34 . non-polymer 
35 . non-polymer 
36 . non-polymer 
37 . non-polymer 
38 . non-polymer 
39 . non-polymer 
40 . non-polymer 
41 . non-polymer 
42 . non-polymer 
43 . non-polymer 
44 . non-polymer 
45 . non-polymer 
46 . non-polymer 
47 . non-polymer 
48 . non-polymer 
49 . non-polymer 
50 . non-polymer 
51 . non-polymer 
52 . non-polymer 
#
_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 15:02:03)"
_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 29.86
_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 48.34 1 1   
A  SER    2   2 53.93 1 2   
A  ALA    3   2 62.22 1 3   
A  SER    4   2 64.30 1 4   
A  LYS    5   2 70.43 1 5   
A  PHE    6   2 79.86 1 6   
A  ILE    7   2 84.29 1 7   
A  LYS    8   2 87.31 1 8   
A  CYS    9   2 88.24 1 9   
A  VAL    10  2 86.70 1 10  
A  THR    11  2 84.18 1 11  
A  VAL    12  2 85.33 1 12  
A  GLY    13  2 86.78 1 13  
A  ASP    14  2 84.46 1 14  
A  GLY    15  2 84.76 1 15  
A  ALA    16  2 83.04 1 16  
A  VAL    17  2 83.36 1 17  
A  GLY    18  2 85.55 1 18  
A  LYS    19  2 82.16 1 19  
A  THR    20  2 81.86 1 20  
A  CYS    21  2 84.83 1 21  
A  MET    22  2 84.61 1 22  
A  LEU    23  2 83.98 1 23  
A  ILE    24  2 82.16 1 24  
A  CYS    25  2 84.43 1 25  
A  TYR    26  2 83.51 1 26  
A  THR    27  2 80.31 1 27  
A  SER    28  2 79.77 1 28  
A  ASN    29  2 74.86 1 29  
A  LYS    30  2 69.84 1 30  
A  PHE    31  2 70.36 1 31  
A  PRO    32  2 76.58 1 32  
A  THR    33  2 72.73 1 33  
A  ASP    34  2 69.53 1 34  
A  TYR    35  2 64.37 1 35  
A  ILE    36  2 71.73 1 36  
A  PRO    37  2 75.04 1 37  
A  THR    38  2 70.31 1 38  
A  VAL    39  2 70.07 1 39  
A  PHE    40  2 69.11 1 40  
A  ASP    41  2 71.92 1 41  
A  ASN    42  2 73.42 1 42  
A  PHE    43  2 71.59 1 43  
A  SER    44  2 76.99 1 44  
A  ALA    45  2 82.63 1 45  
A  ASN    46  2 80.27 1 46  
A  VAL    47  2 82.03 1 47  
A  ALA    48  2 83.90 1 48  
A  VAL    49  2 78.72 1 49  
A  ASP    50  2 74.58 1 50  
A  GLY    51  2 81.08 1 51  
A  GLN    52  2 74.82 1 52  
A  ILE    53  2 78.04 1 53  
A  VAL    54  2 82.19 1 54  
A  ASN    55  2 82.04 1 55  
A  LEU    56  2 85.41 1 56  
A  GLY    57  2 89.46 1 57  
A  LEU    58  2 84.54 1 58  
A  TRP    59  2 79.57 1 59  
A  ASP    60  2 80.30 1 60  
A  THR    61  2 78.75 1 61  
A  ALA    62  2 78.33 1 62  
A  GLY    63  2 77.74 1 63  
A  GLN    64  2 70.67 1 64  
A  GLU    65  2 69.64 1 65  
A  ASP    66  2 73.43 1 66  
A  TYR    67  2 71.75 1 67  
A  SER    68  2 81.77 1 68  
A  ARG    69  2 72.56 1 69  
A  LEU    70  2 79.56 1 70  
A  ARG    71  2 78.69 1 71  
A  PRO    72  2 86.13 1 72  
A  LEU    73  2 82.71 1 73  
A  SER    74  2 83.99 1 74  
A  TYR    75  2 83.42 1 75  
A  ARG    76  2 74.56 1 76  
A  GLY    77  2 88.92 1 77  
A  ALA    78  2 88.40 1 78  
A  ASP    79  2 86.46 1 79  
A  ILE    80  2 87.47 1 80  
A  PHE    81  2 87.99 1 81  
A  VAL    82  2 88.22 1 82  
A  LEU    83  2 87.95 1 83  
A  ALA    84  2 90.25 1 84  
A  PHE    85  2 88.06 1 85  
A  SER    86  2 88.84 1 86  
A  LEU    87  2 88.50 1 87  
A  ILE    88  2 82.79 1 88  
A  SER    89  2 87.28 1 89  
A  LYS    90  2 80.83 1 90  
A  ALA    91  2 89.85 1 91  
A  SER    92  2 87.68 1 92  
A  TYR    93  2 88.72 1 93  
A  GLU    94  2 85.68 1 94  
A  ASN    95  2 86.14 1 95  
A  VAL    96  2 87.94 1 96  
A  LEU    97  2 85.82 1 97  
A  LYS    98  2 82.22 1 98  
A  LYS    99  2 83.16 1 99  
A  TRP    100 2 86.93 1 100 
A  MET    101 2 87.70 1 101 
A  PRO    102 2 89.48 1 102 
A  GLU    103 2 84.95 1 103 
A  LEU    104 2 86.12 1 104 
A  ARG    105 2 76.49 1 105 
A  ARG    106 2 77.51 1 106 
A  PHE    107 2 82.05 1 107 
A  ALA    108 2 87.57 1 108 
A  PRO    109 2 84.98 1 109 
A  ASN    110 2 81.22 1 110 
A  VAL    111 2 86.84 1 111 
A  PRO    112 2 89.22 1 112 
A  ILE    113 2 87.15 1 113 
A  VAL    114 2 88.46 1 114 
A  LEU    115 2 89.22 1 115 
A  VAL    116 2 87.86 1 116 
A  GLY    117 2 90.82 1 117 
A  THR    118 2 85.96 1 118 
A  LYS    119 2 83.05 1 119 
A  LEU    120 2 86.63 1 120 
A  ASP    121 2 81.99 1 121 
A  LEU    122 2 82.29 1 122 
A  ARG    123 2 81.76 1 123 
A  ASP    124 2 77.54 1 124 
A  ASP    125 2 75.73 1 125 
A  LYS    126 2 67.92 1 126 
A  GLY    127 2 76.79 1 127 
A  TYR    128 2 69.29 1 128 
A  LEU    129 2 71.77 1 129 
A  ALA    130 2 75.42 1 130 
A  ASP    131 2 71.79 1 131 
A  HIS    132 2 69.49 1 132 
A  THR    133 2 72.76 1 133 
A  ASN    134 2 75.25 1 134 
A  VAL    135 2 82.71 1 135 
A  ILE    136 2 85.75 1 136 
A  THR    137 2 84.75 1 137 
A  SER    138 2 87.75 1 138 
A  THR    139 2 87.41 1 139 
A  GLN    140 2 86.23 1 140 
A  GLY    141 2 90.95 1 141 
A  GLU    142 2 85.70 1 142 
A  GLU    143 2 82.99 1 143 
A  LEU    144 2 88.96 1 144 
A  ARG    145 2 86.29 1 145 
A  LYS    146 2 84.49 1 146 
A  GLN    147 2 84.75 1 147 
A  ILE    148 2 86.00 1 148 
A  GLY    149 2 89.27 1 149 
A  ALA    150 2 90.02 1 150 
A  ALA    151 2 89.99 1 151 
A  ALA    152 2 91.14 1 152 
A  TYR    153 2 88.94 1 153 
A  ILE    154 2 86.54 1 154 
A  GLU    155 2 88.55 1 155 
A  CYS    156 2 88.84 1 156 
A  SER    157 2 87.88 1 157 
A  SER    158 2 85.76 1 158 
A  LYS    159 2 79.53 1 159 
A  THR    160 2 82.73 1 160 
A  GLN    161 2 79.77 1 161 
A  GLN    162 2 81.28 1 162 
A  ASN    163 2 85.16 1 163 
A  VAL    164 2 86.14 1 164 
A  LYS    165 2 80.17 1 165 
A  ALA    166 2 90.42 1 166 
A  VAL    167 2 86.98 1 167 
A  PHE    168 2 85.16 1 168 
A  ASP    169 2 84.97 1 169 
A  THR    170 2 86.52 1 170 
A  ALA    171 2 89.99 1 171 
A  ILE    172 2 85.25 1 172 
A  LYS    173 2 81.42 1 173 
A  VAL    174 2 86.07 1 174 
A  VAL    175 2 84.17 1 175 
A  LEU    176 2 79.75 1 176 
A  GLN    177 2 69.10 1 177 
A  PRO    178 2 66.64 1 178 
A  PRO    179 2 54.93 1 179 
A  ARG    180 2 43.17 1 180 
A  ARG    181 2 42.12 1 181 
A  LYS    182 2 43.58 1 182 
A  GLU    183 2 46.97 1 183 
A  VAL    184 2 52.51 1 184 
A  PRO    185 2 56.51 1 185 
A  ARG    186 2 49.54 1 186 
A  ARG    187 2 48.57 1 187 
A  ARG    188 2 46.03 1 188 
A  LYS    189 2 49.26 1 189 
A  ASN    190 2 56.18 1 190 
A  HIS    191 2 53.94 1 191 
A  ARG    192 2 48.34 1 192 
A  ARG    193 2 49.02 1 193 
A  SER    194 2 60.92 1 194 
A  GLY    195 2 65.80 1 195 
A  CYS    196 2 67.73 1 196 
B  FAR    .   2 7.98  1 197 
C  LIG_C  .   2 2.13  1 198 
D  LIG_D  .   2 1.61  1 199 
E  LIG_E  .   2 1.87  1 200 
F  LIG_F  .   2 2.28  1 201 
G  LIG_G  .   2 1.61  1 202 
H  LIG_H  .   2 1.46  1 203 
I  LIG_I  .   2 1.45  1 204 
J  LIG_J  .   2 1.90  1 205 
K  LIG_K  .   2 1.47  1 206 
L  LIG_L  .   2 1.49  1 207 
M  LIG_M  .   2 2.90  1 208 
N  LIG_N  .   2 1.44  1 209 
O  LIG_O  .   2 1.48  1 210 
P  LIG_P  .   2 1.59  1 211 
Q  LIG_Q  .   2 1.49  1 212 
R  LIG_R  .   2 1.56  1 213 
S  LIG_S  .   2 1.47  1 214 
T  LIG_T  .   2 1.74  1 215 
U  LIG_U  .   2 2.50  1 216 
V  LIG_V  .   2 1.47  1 217 
W  LIG_W  .   2 1.51  1 218 
X  LIG_X  .   2 1.48  1 219 
Y  LIG_Y  .   2 1.45  1 220 
Z  LIG_Z  .   2 1.45  1 221 
AA LIG_AA .   2 1.49  1 222 
BA LIG_BA .   2 1.47  1 223 
DA LIG_DA .   2 1.30  1 224 
AB LIG_AB .   2 1.99  1 225 
BB LIG_BB .   2 2.07  1 226 
DB LIG_DB .   2 1.29  1 227 
AC LIG_AC .   2 1.61  1 228 
BC LIG_BC .   2 1.31  1 229 
DC LIG_DC .   2 1.31  1 230 
AD LIG_AD .   2 2.21  1 231 
BD LIG_BD .   2 1.48  1 232 
DD LIG_DD .   2 1.45  1 233 
AE LIG_AE .   2 1.47  1 234 
BE LIG_BE .   2 1.51  1 235 
DE LIG_DE .   2 1.29  1 236 
AF LIG_AF .   2 1.78  1 237 
BF LIG_BF .   2 1.32  1 238 
DF LIG_DF .   2 1.46  1 239 
BG LIG_BG .   2 1.24  1 240 
DG LIG_DG .   2 2.07  1 241 
BH LIG_BH .   2 1.79  1 242 
DH LIG_DH .   2 1.32  1 243 
BI LIG_BI .   2 1.31  1 244 
DI LIG_DI .   2 1.28  1 245 
BJ LIG_BJ .   2 1.28  1 246 
DJ LIG_DJ .   2 2.27  1 247 
#
_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 . 
#
loop_
_ma_target_entity_instance.asym_id
_ma_target_entity_instance.details
_ma_target_entity_instance.entity_id
A  . 1  
B  . 2  
C  . 3  
D  . 4  
E  . 5  
F  . 6  
G  . 7  
H  . 8  
I  . 9  
J  . 10 
K  . 11 
L  . 12 
M  . 13 
N  . 14 
O  . 15 
P  . 16 
Q  . 17 
R  . 18 
S  . 19 
T  . 20 
U  . 21 
V  . 22 
W  . 23 
X  . 24 
Y  . 25 
Z  . 26 
AA . 27 
BA . 28 
DA . 29 
AB . 30 
BB . 31 
DB . 32 
AC . 33 
BC . 34 
DC . 35 
AD . 36 
BD . 37 
DD . 38 
AE . 39 
BE . 40 
DE . 41 
AF . 42 
BF . 43 
DF . 44 
BG . 45 
DG . 46 
BH . 47 
DH . 48 
BI . 49 
DI . 50 
BJ . 51 
DJ . 52 
#
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  FAR    . 1 B  
C  1 3  LIG_C  . 1 C  
D  1 4  LIG_D  . 1 D  
E  1 5  LIG_E  . 1 E  
F  1 6  LIG_F  . 1 F  
G  1 7  LIG_G  . 1 G  
H  1 8  LIG_H  . 1 H  
I  1 9  LIG_I  . 1 I  
J  1 10 LIG_J  . 1 J  
K  1 11 LIG_K  . 1 K  
L  1 12 LIG_L  . 1 L  
M  1 13 LIG_M  . 1 M  
N  1 14 LIG_N  . 1 N  
O  1 15 LIG_O  . 1 O  
P  1 16 LIG_P  . 1 P  
Q  1 17 LIG_Q  . 1 Q  
R  1 18 LIG_R  . 1 R  
S  1 19 LIG_S  . 1 S  
T  1 20 LIG_T  . 1 T  
U  1 21 LIG_U  . 1 U  
V  1 22 LIG_V  . 1 V  
W  1 23 LIG_W  . 1 W  
X  1 24 LIG_X  . 1 X  
Y  1 25 LIG_Y  . 1 Y  
Z  1 26 LIG_Z  . 1 Z  
AA 1 27 LIG_AA . 1 AA 
BA 1 28 LIG_BA . 1 BA 
DA 1 29 LIG_DA . 1 DA 
AB 1 30 LIG_AB . 1 AB 
BB 1 31 LIG_BB . 1 BB 
DB 1 32 LIG_DB . 1 DB 
AC 1 33 LIG_AC . 1 AC 
BC 1 34 LIG_BC . 1 BC 
DC 1 35 LIG_DC . 1 DC 
AD 1 36 LIG_AD . 1 AD 
BD 1 37 LIG_BD . 1 BD 
DD 1 38 LIG_DD . 1 DD 
AE 1 39 LIG_AE . 1 AE 
BE 1 40 LIG_BE . 1 BE 
DE 1 41 LIG_DE . 1 DE 
AF 1 42 LIG_AF . 1 AF 
BF 1 43 LIG_BF . 1 BF 
DF 1 44 LIG_DF . 1 DF 
BG 1 45 LIG_BG . 1 BG 
DG 1 46 LIG_DG . 1 DG 
BH 1 47 LIG_BH . 1 BH 
DH 1 48 LIG_DH . 1 DH 
BI 1 49 LIG_BI . 1 BI 
DI 1 50 LIG_DI . 1 DI 
BJ 1 51 LIG_BJ . 1 BJ 
DJ 1 52 LIG_DJ . 1 DJ 
#
loop_
_pdbx_poly_seq_scheme.asym_id
_pdbx_poly_seq_scheme.auth_seq_num
_pdbx_poly_seq_scheme.entity_id
_pdbx_poly_seq_scheme.hetero
_pdbx_poly_seq_scheme.mon_id
_pdbx_poly_seq_scheme.pdb_ins_code
_pdbx_poly_seq_scheme.pdb_seq_num
_pdbx_poly_seq_scheme.pdb_strand_id
_pdbx_poly_seq_scheme.seq_id
A 1   1 n MET . 1   A 1   
A 2   1 n SER . 2   A 2   
A 3   1 n ALA . 3   A 3   
A 4   1 n SER . 4   A 4   
A 5   1 n LYS . 5   A 5   
A 6   1 n PHE . 6   A 6   
A 7   1 n ILE . 7   A 7   
A 8   1 n LYS . 8   A 8   
A 9   1 n CYS . 9   A 9   
A 10  1 n VAL . 10  A 10  
A 11  1 n THR . 11  A 11  
A 12  1 n VAL . 12  A 12  
A 13  1 n GLY . 13  A 13  
A 14  1 n ASP . 14  A 14  
A 15  1 n GLY . 15  A 15  
A 16  1 n ALA . 16  A 16  
A 17  1 n VAL . 17  A 17  
A 18  1 n GLY . 18  A 18  
A 19  1 n LYS . 19  A 19  
A 20  1 n THR . 20  A 20  
A 21  1 n CYS . 21  A 21  
A 22  1 n MET . 22  A 22  
A 23  1 n LEU . 23  A 23  
A 24  1 n ILE . 24  A 24  
A 25  1 n CYS . 25  A 25  
A 26  1 n TYR . 26  A 26  
A 27  1 n THR . 27  A 27  
A 28  1 n SER . 28  A 28  
A 29  1 n ASN . 29  A 29  
A 30  1 n LYS . 30  A 30  
A 31  1 n PHE . 31  A 31  
A 32  1 n PRO . 32  A 32  
A 33  1 n THR . 33  A 33  
A 34  1 n ASP . 34  A 34  
A 35  1 n TYR . 35  A 35  
A 36  1 n ILE . 36  A 36  
A 37  1 n PRO . 37  A 37  
A 38  1 n THR . 38  A 38  
A 39  1 n VAL . 39  A 39  
A 40  1 n PHE . 40  A 40  
A 41  1 n ASP . 41  A 41  
A 42  1 n ASN . 42  A 42  
A 43  1 n PHE . 43  A 43  
A 44  1 n SER . 44  A 44  
A 45  1 n ALA . 45  A 45  
A 46  1 n ASN . 46  A 46  
A 47  1 n VAL . 47  A 47  
A 48  1 n ALA . 48  A 48  
A 49  1 n VAL . 49  A 49  
A 50  1 n ASP . 50  A 50  
A 51  1 n GLY . 51  A 51  
A 52  1 n GLN . 52  A 52  
A 53  1 n ILE . 53  A 53  
A 54  1 n VAL . 54  A 54  
A 55  1 n ASN . 55  A 55  
A 56  1 n LEU . 56  A 56  
A 57  1 n GLY . 57  A 57  
A 58  1 n LEU . 58  A 58  
A 59  1 n TRP . 59  A 59  
A 60  1 n ASP . 60  A 60  
A 61  1 n THR . 61  A 61  
A 62  1 n ALA . 62  A 62  
A 63  1 n GLY . 63  A 63  
A 64  1 n GLN . 64  A 64  
A 65  1 n GLU . 65  A 65  
A 66  1 n ASP . 66  A 66  
A 67  1 n TYR . 67  A 67  
A 68  1 n SER . 68  A 68  
A 69  1 n ARG . 69  A 69  
A 70  1 n LEU . 70  A 70  
A 71  1 n ARG . 71  A 71  
A 72  1 n PRO . 72  A 72  
A 73  1 n LEU . 73  A 73  
A 74  1 n SER . 74  A 74  
A 75  1 n TYR . 75  A 75  
A 76  1 n ARG . 76  A 76  
A 77  1 n GLY . 77  A 77  
A 78  1 n ALA . 78  A 78  
A 79  1 n ASP . 79  A 79  
A 80  1 n ILE . 80  A 80  
A 81  1 n PHE . 81  A 81  
A 82  1 n VAL . 82  A 82  
A 83  1 n LEU . 83  A 83  
A 84  1 n ALA . 84  A 84  
A 85  1 n PHE . 85  A 85  
A 86  1 n SER . 86  A 86  
A 87  1 n LEU . 87  A 87  
A 88  1 n ILE . 88  A 88  
A 89  1 n SER . 89  A 89  
A 90  1 n LYS . 90  A 90  
A 91  1 n ALA . 91  A 91  
A 92  1 n SER . 92  A 92  
A 93  1 n TYR . 93  A 93  
A 94  1 n GLU . 94  A 94  
A 95  1 n ASN . 95  A 95  
A 96  1 n VAL . 96  A 96  
A 97  1 n LEU . 97  A 97  
A 98  1 n LYS . 98  A 98  
A 99  1 n LYS . 99  A 99  
A 100 1 n TRP . 100 A 100 
A 101 1 n MET . 101 A 101 
A 102 1 n PRO . 102 A 102 
A 103 1 n GLU . 103 A 103 
A 104 1 n LEU . 104 A 104 
A 105 1 n ARG . 105 A 105 
A 106 1 n ARG . 106 A 106 
A 107 1 n PHE . 107 A 107 
A 108 1 n ALA . 108 A 108 
A 109 1 n PRO . 109 A 109 
A 110 1 n ASN . 110 A 110 
A 111 1 n VAL . 111 A 111 
A 112 1 n PRO . 112 A 112 
A 113 1 n ILE . 113 A 113 
A 114 1 n VAL . 114 A 114 
A 115 1 n LEU . 115 A 115 
A 116 1 n VAL . 116 A 116 
A 117 1 n GLY . 117 A 117 
A 118 1 n THR . 118 A 118 
A 119 1 n LYS . 119 A 119 
A 120 1 n LEU . 120 A 120 
A 121 1 n ASP . 121 A 121 
A 122 1 n LEU . 122 A 122 
A 123 1 n ARG . 123 A 123 
A 124 1 n ASP . 124 A 124 
A 125 1 n ASP . 125 A 125 
A 126 1 n LYS . 126 A 126 
A 127 1 n GLY . 127 A 127 
A 128 1 n TYR . 128 A 128 
A 129 1 n LEU . 129 A 129 
A 130 1 n ALA . 130 A 130 
A 131 1 n ASP . 131 A 131 
A 132 1 n HIS . 132 A 132 
A 133 1 n THR . 133 A 133 
A 134 1 n ASN . 134 A 134 
A 135 1 n VAL . 135 A 135 
A 136 1 n ILE . 136 A 136 
A 137 1 n THR . 137 A 137 
A 138 1 n SER . 138 A 138 
A 139 1 n THR . 139 A 139 
A 140 1 n GLN . 140 A 140 
A 141 1 n GLY . 141 A 141 
A 142 1 n GLU . 142 A 142 
A 143 1 n GLU . 143 A 143 
A 144 1 n LEU . 144 A 144 
A 145 1 n ARG . 145 A 145 
A 146 1 n LYS . 146 A 146 
A 147 1 n GLN . 147 A 147 
A 148 1 n ILE . 148 A 148 
A 149 1 n GLY . 149 A 149 
A 150 1 n ALA . 150 A 150 
A 151 1 n ALA . 151 A 151 
A 152 1 n ALA . 152 A 152 
A 153 1 n TYR . 153 A 153 
A 154 1 n ILE . 154 A 154 
A 155 1 n GLU . 155 A 155 
A 156 1 n CYS . 156 A 156 
A 157 1 n SER . 157 A 157 
A 158 1 n SER . 158 A 158 
A 159 1 n LYS . 159 A 159 
A 160 1 n THR . 160 A 160 
A 161 1 n GLN . 161 A 161 
A 162 1 n GLN . 162 A 162 
A 163 1 n ASN . 163 A 163 
A 164 1 n VAL . 164 A 164 
A 165 1 n LYS . 165 A 165 
A 166 1 n ALA . 166 A 166 
A 167 1 n VAL . 167 A 167 
A 168 1 n PHE . 168 A 168 
A 169 1 n ASP . 169 A 169 
A 170 1 n THR . 170 A 170 
A 171 1 n ALA . 171 A 171 
A 172 1 n ILE . 172 A 172 
A 173 1 n LYS . 173 A 173 
A 174 1 n VAL . 174 A 174 
A 175 1 n VAL . 175 A 175 
A 176 1 n LEU . 176 A 176 
A 177 1 n GLN . 177 A 177 
A 178 1 n PRO . 178 A 178 
A 179 1 n PRO . 179 A 179 
A 180 1 n ARG . 180 A 180 
A 181 1 n ARG . 181 A 181 
A 182 1 n LYS . 182 A 182 
A 183 1 n GLU . 183 A 183 
A 184 1 n VAL . 184 A 184 
A 185 1 n PRO . 185 A 185 
A 186 1 n ARG . 186 A 186 
A 187 1 n ARG . 187 A 187 
A 188 1 n ARG . 188 A 188 
A 189 1 n LYS . 189 A 189 
A 190 1 n ASN . 190 A 190 
A 191 1 n HIS . 191 A 191 
A 192 1 n ARG . 192 A 192 
A 193 1 n ARG . 193 A 193 
A 194 1 n SER . 194 A 194 
A 195 1 n GLY . 195 A 195 
A 196 1 n CYS . 196 A 196 
#
_software.classification other
_software.date           ?
_software.description    "Structure prediction"
_software.name           AlphaFold
_software.pdbx_ordinal   1
_software.type           package
_software.version        "AlphaFold-beta-20231127 (25b635fa27adb4b12654a9dc6367a96b1463ec03aa886066ffc6cf0691bbe007)"
#
loop_
_struct_asym.entity_id
_struct_asym.id
1  A  
2  B  
3  C  
4  D  
5  E  
6  F  
7  G  
8  H  
9  I  
10 J  
11 K  
12 L  
13 M  
14 N  
15 O  
16 P  
17 Q  
18 R  
19 S  
20 T  
21 U  
22 V  
23 W  
24 X  
25 Y  
26 Z  
27 AA 
28 BA 
29 DA 
30 AB 
31 BB 
32 DB 
33 AC 
34 BC 
35 DC 
36 AD 
37 BD 
38 DD 
39 AE 
40 BE 
41 DE 
42 AF 
43 BF 
44 DF 
45 BG 
46 DG 
47 BH 
48 DH 
49 BI 
50 DI 
51 BJ 
52 DJ 
#
_struct_conn.conn_type_id            covale
_struct_conn.id                      covale1
_struct_conn.pdbx_ptnr1_PDB_ins_code ?
_struct_conn.pdbx_ptnr1_label_alt_id ?
_struct_conn.pdbx_ptnr2_PDB_ins_code ?
_struct_conn.pdbx_ptnr2_label_alt_id ?
_struct_conn.pdbx_role               ?
_struct_conn.pdbx_value_order        ?
_struct_conn.ptnr1_auth_asym_id      A
_struct_conn.ptnr1_auth_seq_id       196
_struct_conn.ptnr1_label_asym_id     A
_struct_conn.ptnr1_label_atom_id     SG
_struct_conn.ptnr1_label_comp_id     CYS
_struct_conn.ptnr1_label_seq_id      196
_struct_conn.ptnr1_symmetry          1_555
_struct_conn.ptnr2_auth_asym_id      B
_struct_conn.ptnr2_auth_seq_id       1
_struct_conn.ptnr2_label_asym_id     B
_struct_conn.ptnr2_label_atom_id     C1
_struct_conn.ptnr2_label_comp_id     FAR
_struct_conn.ptnr2_label_seq_id      .
_struct_conn.ptnr2_symmetry          1_555
#
_struct_conn_type.criteria  ?
_struct_conn_type.id        covale
_struct_conn_type.reference ?
#
loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_asym_id
_atom_site.label_entity_id
_atom_site.label_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.B_iso_or_equiv
_atom_site.auth_seq_id
_atom_site.auth_asym_id
_atom_site.pdbx_PDB_model_num
ATOM   1    N N   . MET    A  1  1   ? 7.240   -24.422 26.135  1.00 50.40 1   A  1 
ATOM   2    C CA  . MET    A  1  1   ? 7.550   -25.241 27.306  1.00 51.85 1   A  1 
ATOM   3    C C   . MET    A  1  1   ? 8.196   -24.414 28.411  1.00 51.01 1   A  1 
ATOM   4    O O   . MET    A  1  1   ? 8.059   -24.728 29.592  1.00 46.86 1   A  1 
ATOM   5    C CB  . MET    A  1  1   ? 8.467   -26.405 26.918  1.00 49.12 1   A  1 
ATOM   6    C CG  . MET    A  1  1   ? 8.815   -27.338 28.056  1.00 48.08 1   A  1 
ATOM   7    S SD  . MET    A  1  1   ? 9.769   -28.748 27.509  1.00 46.30 1   A  1 
ATOM   8    C CE  . MET    A  1  1   ? 11.308  -27.964 27.026  1.00 43.09 1   A  1 
ATOM   9    N N   . SER    A  1  2   ? 8.867   -23.372 28.007  1.00 55.62 2   A  1 
ATOM   10   C CA  . SER    A  1  2   ? 9.508   -22.483 28.963  1.00 56.89 2   A  1 
ATOM   11   C C   . SER    A  1  2   ? 8.914   -21.086 28.847  1.00 58.57 2   A  1 
ATOM   12   O O   . SER    A  1  2   ? 8.233   -20.769 27.870  1.00 53.95 2   A  1 
ATOM   13   C CB  . SER    A  1  2   ? 11.011  -22.424 28.719  1.00 51.95 2   A  1 
ATOM   14   O OG  . SER    A  1  2   ? 11.289  -21.791 27.485  1.00 46.63 2   A  1 
ATOM   15   N N   . ALA    A  1  3   ? 9.188   -20.264 29.850  1.00 62.26 3   A  1 
ATOM   16   C CA  . ALA    A  1  3   ? 8.677   -18.900 29.844  1.00 63.60 3   A  1 
ATOM   17   C C   . ALA    A  1  3   ? 9.270   -18.076 28.706  1.00 65.50 3   A  1 
ATOM   18   O O   . ALA    A  1  3   ? 8.686   -17.076 28.292  1.00 61.10 3   A  1 
ATOM   19   C CB  . ALA    A  1  3   ? 8.963   -18.233 31.186  1.00 58.66 3   A  1 
ATOM   20   N N   . SER    A  1  4   ? 10.415  -18.485 28.232  1.00 66.62 4   A  1 
ATOM   21   C CA  . SER    A  1  4   ? 11.065  -17.761 27.145  1.00 68.04 4   A  1 
ATOM   22   C C   . SER    A  1  4   ? 10.406  -18.030 25.798  1.00 72.47 4   A  1 
ATOM   23   O O   . SER    A  1  4   ? 10.607  -17.275 24.846  1.00 66.96 4   A  1 
ATOM   24   C CB  . SER    A  1  4   ? 12.544  -18.131 27.077  1.00 59.79 4   A  1 
ATOM   25   O OG  . SER    A  1  4   ? 12.709  -19.495 26.770  1.00 51.93 4   A  1 
ATOM   26   N N   . LYS    A  1  5   ? 9.625   -19.082 25.716  1.00 78.46 5   A  1 
ATOM   27   C CA  . LYS    A  1  5   ? 8.968   -19.404 24.458  1.00 81.71 5   A  1 
ATOM   28   C C   . LYS    A  1  5   ? 7.820   -18.439 24.196  1.00 84.46 5   A  1 
ATOM   29   O O   . LYS    A  1  5   ? 6.961   -18.235 25.048  1.00 81.48 5   A  1 
ATOM   30   C CB  . LYS    A  1  5   ? 8.449   -20.837 24.466  1.00 76.40 5   A  1 
ATOM   31   C CG  . LYS    A  1  5   ? 7.820   -21.246 23.144  1.00 66.79 5   A  1 
ATOM   32   C CD  . LYS    A  1  5   ? 7.411   -22.701 23.126  1.00 62.67 5   A  1 
ATOM   33   C CE  . LYS    A  1  5   ? 6.830   -23.077 21.777  1.00 53.93 5   A  1 
ATOM   34   N NZ  . LYS    A  1  5   ? 6.469   -24.515 21.702  1.00 47.95 5   A  1 
ATOM   35   N N   . PHE    A  1  6   ? 7.815   -17.889 23.012  1.00 86.36 6   A  1 
ATOM   36   C CA  . PHE    A  1  6   ? 6.780   -16.945 22.634  1.00 87.28 6   A  1 
ATOM   37   C C   . PHE    A  1  6   ? 5.799   -17.593 21.666  1.00 87.93 6   A  1 
ATOM   38   O O   . PHE    A  1  6   ? 6.206   -18.272 20.726  1.00 85.15 6   A  1 
ATOM   39   C CB  . PHE    A  1  6   ? 7.406   -15.710 21.990  1.00 84.77 6   A  1 
ATOM   40   C CG  . PHE    A  1  6   ? 6.404   -14.688 21.528  1.00 82.85 6   A  1 
ATOM   41   C CD1 . PHE    A  1  6   ? 5.778   -13.856 22.438  1.00 75.79 6   A  1 
ATOM   42   C CD2 . PHE    A  1  6   ? 6.085   -14.565 20.184  1.00 74.56 6   A  1 
ATOM   43   C CE1 . PHE    A  1  6   ? 4.847   -12.915 22.017  1.00 71.56 6   A  1 
ATOM   44   C CE2 . PHE    A  1  6   ? 5.155   -13.629 19.752  1.00 70.69 6   A  1 
ATOM   45   C CZ  . PHE    A  1  6   ? 4.536   -12.799 20.675  1.00 71.53 6   A  1 
ATOM   46   N N   . ILE    A  1  7   ? 4.531   -17.373 21.916  1.00 87.34 7   A  1 
ATOM   47   C CA  . ILE    A  1  7   ? 3.485   -17.897 21.045  1.00 88.59 7   A  1 
ATOM   48   C C   . ILE    A  1  7   ? 2.652   -16.730 20.548  1.00 88.81 7   A  1 
ATOM   49   O O   . ILE    A  1  7   ? 2.096   -15.979 21.349  1.00 86.30 7   A  1 
ATOM   50   C CB  . ILE    A  1  7   ? 2.576   -18.899 21.783  1.00 87.28 7   A  1 
ATOM   51   C CG1 . ILE    A  1  7   ? 3.376   -20.147 22.165  1.00 80.81 7   A  1 
ATOM   52   C CG2 . ILE    A  1  7   ? 1.376   -19.270 20.915  1.00 79.44 7   A  1 
ATOM   53   C CD1 . ILE    A  1  7   ? 2.599   -21.153 22.990  1.00 75.77 7   A  1 
ATOM   54   N N   . LYS    A  1  8   ? 2.568   -16.606 19.243  1.00 89.81 8   A  1 
ATOM   55   C CA  . LYS    A  1  8   ? 1.769   -15.541 18.659  1.00 90.58 8   A  1 
ATOM   56   C C   . LYS    A  1  8   ? 0.398   -16.081 18.287  1.00 90.52 8   A  1 
ATOM   57   O O   . LYS    A  1  8   ? 0.275   -16.936 17.409  1.00 88.81 8   A  1 
ATOM   58   C CB  . LYS    A  1  8   ? 2.454   -14.948 17.434  1.00 89.32 8   A  1 
ATOM   59   C CG  . LYS    A  1  8   ? 1.633   -13.862 16.753  1.00 88.11 8   A  1 
ATOM   60   C CD  . LYS    A  1  8   ? 2.409   -13.145 15.659  1.00 86.03 8   A  1 
ATOM   61   C CE  . LYS    A  1  8   ? 1.541   -12.085 15.002  1.00 83.73 8   A  1 
ATOM   62   N NZ  . LYS    A  1  8   ? 2.292   -11.280 13.999  1.00 78.85 8   A  1 
ATOM   63   N N   . CYS    A  1  9   ? -0.611  -15.563 18.951  1.00 89.70 9   A  1 
ATOM   64   C CA  . CYS    A  1  9   ? -1.986  -15.970 18.718  1.00 89.95 9   A  1 
ATOM   65   C C   . CYS    A  1  9   ? -2.726  -14.817 18.049  1.00 89.62 9   A  1 
ATOM   66   O O   . CYS    A  1  9   ? -2.791  -13.718 18.599  1.00 87.16 9   A  1 
ATOM   67   C CB  . CYS    A  1  9   ? -2.651  -16.337 20.042  1.00 89.11 9   A  1 
ATOM   68   S SG  . CYS    A  1  9   ? -4.398  -16.750 19.902  1.00 83.90 9   A  1 
ATOM   69   N N   . VAL    A  1  10  ? -3.264  -15.080 16.874  1.00 90.30 10  A  1 
ATOM   70   C CA  . VAL    A  1  10  ? -3.974  -14.046 16.127  1.00 90.04 10  A  1 
ATOM   71   C C   . VAL    A  1  10  ? -5.454  -14.392 16.045  1.00 90.08 10  A  1 
ATOM   72   O O   . VAL    A  1  10  ? -5.818  -15.482 15.610  1.00 87.73 10  A  1 
ATOM   73   C CB  . VAL    A  1  10  ? -3.403  -13.894 14.709  1.00 88.76 10  A  1 
ATOM   74   C CG1 . VAL    A  1  10  ? -4.165  -12.827 13.932  1.00 79.54 10  A  1 
ATOM   75   C CG2 . VAL    A  1  10  ? -1.923  -13.550 14.769  1.00 80.45 10  A  1 
ATOM   76   N N   . THR    A  1  11  ? -6.282  -13.449 16.449  1.00 89.05 11  A  1 
ATOM   77   C CA  . THR    A  1  11  ? -7.726  -13.655 16.437  1.00 88.80 11  A  1 
ATOM   78   C C   . THR    A  1  11  ? -8.343  -13.032 15.192  1.00 87.99 11  A  1 
ATOM   79   O O   . THR    A  1  11  ? -8.117  -11.856 14.903  1.00 84.80 11  A  1 
ATOM   80   C CB  . THR    A  1  11  ? -8.367  -13.047 17.690  1.00 87.72 11  A  1 
ATOM   81   O OG1 . THR    A  1  11  ? -7.769  -13.633 18.857  1.00 75.34 11  A  1 
ATOM   82   C CG2 . THR    A  1  11  ? -9.862  -13.301 17.720  1.00 75.56 11  A  1 
ATOM   83   N N   . VAL    A  1  12  ? -9.122  -13.821 14.485  1.00 89.46 12  A  1 
ATOM   84   C CA  . VAL    A  1  12  ? -9.771  -13.347 13.264  1.00 89.74 12  A  1 
ATOM   85   C C   . VAL    A  1  12  ? -11.240 -13.754 13.267  1.00 89.36 12  A  1 
ATOM   86   O O   . VAL    A  1  12  ? -11.655 -14.620 14.034  1.00 85.30 12  A  1 
ATOM   87   C CB  . VAL    A  1  12  ? -9.092  -13.908 11.999  1.00 88.59 12  A  1 
ATOM   88   C CG1 . VAL    A  1  12  ? -7.625  -13.511 11.963  1.00 76.61 12  A  1 
ATOM   89   C CG2 . VAL    A  1  12  ? -9.232  -15.419 11.938  1.00 78.23 12  A  1 
ATOM   90   N N   . GLY    A  1  13  ? -12.006 -13.105 12.401  1.00 88.80 13  A  1 
ATOM   91   C CA  . GLY    A  1  13  ? -13.422 -13.396 12.308  1.00 88.41 13  A  1 
ATOM   92   C C   . GLY    A  1  13  ? -14.185 -12.138 11.932  1.00 87.95 13  A  1 
ATOM   93   O O   . GLY    A  1  13  ? -13.633 -11.042 11.965  1.00 81.98 13  A  1 
ATOM   94   N N   . ASP    A  1  14  ? -15.443 -12.305 11.582  1.00 88.08 14  A  1 
ATOM   95   C CA  . ASP    A  1  14  ? -16.271 -11.170 11.189  1.00 87.71 14  A  1 
ATOM   96   C C   . ASP    A  1  14  ? -16.349 -10.098 12.270  1.00 87.42 14  A  1 
ATOM   97   O O   . ASP    A  1  14  ? -16.100 -10.351 13.449  1.00 83.21 14  A  1 
ATOM   98   C CB  . ASP    A  1  14  ? -17.693 -11.629 10.865  1.00 86.14 14  A  1 
ATOM   99   C CG  . ASP    A  1  14  ? -17.826 -12.232 9.481   1.00 84.53 14  A  1 
ATOM   100  O OD1 . ASP    A  1  14  ? -16.803 -12.407 8.790   1.00 78.47 14  A  1 
ATOM   101  O OD2 . ASP    A  1  14  ? -18.973 -12.519 9.081   1.00 80.11 14  A  1 
ATOM   102  N N   . GLY    A  1  15  ? -16.718 -8.901  11.834  1.00 86.42 15  A  1 
ATOM   103  C CA  . GLY    A  1  15  ? -16.907 -7.827  12.783  1.00 85.41 15  A  1 
ATOM   104  C C   . GLY    A  1  15  ? -18.119 -8.110  13.654  1.00 85.63 15  A  1 
ATOM   105  O O   . GLY    A  1  15  ? -19.045 -8.801  13.235  1.00 81.58 15  A  1 
ATOM   106  N N   . ALA    A  1  16  ? -18.093 -7.573  14.861  1.00 83.93 16  A  1 
ATOM   107  C CA  . ALA    A  1  16  ? -19.204 -7.696  15.805  1.00 84.45 16  A  1 
ATOM   108  C C   . ALA    A  1  16  ? -19.438 -9.099  16.359  1.00 85.21 16  A  1 
ATOM   109  O O   . ALA    A  1  16  ? -20.438 -9.327  17.034  1.00 80.05 16  A  1 
ATOM   110  C CB  . ALA    A  1  16  ? -20.500 -7.168  15.191  1.00 81.54 16  A  1 
ATOM   111  N N   . VAL    A  1  17  ? -18.538 -10.016 16.100  1.00 86.93 17  A  1 
ATOM   112  C CA  . VAL    A  1  17  ? -18.709 -11.355 16.669  1.00 87.26 17  A  1 
ATOM   113  C C   . VAL    A  1  17  ? -18.197 -11.426 18.105  1.00 87.00 17  A  1 
ATOM   114  O O   . VAL    A  1  17  ? -18.442 -12.411 18.800  1.00 81.93 17  A  1 
ATOM   115  C CB  . VAL    A  1  17  ? -18.013 -12.450 15.832  1.00 86.47 17  A  1 
ATOM   116  C CG1 . VAL    A  1  17  ? -18.526 -12.434 14.399  1.00 76.15 17  A  1 
ATOM   117  C CG2 . VAL    A  1  17  ? -16.502 -12.294 15.873  1.00 77.81 17  A  1 
ATOM   118  N N   . GLY    A  1  18  ? -17.498 -10.391 18.526  1.00 86.11 18  A  1 
ATOM   119  C CA  . GLY    A  1  18  ? -17.019 -10.349 19.900  1.00 86.26 18  A  1 
ATOM   120  C C   . GLY    A  1  18  ? -15.558 -10.691 20.105  1.00 87.20 18  A  1 
ATOM   121  O O   . GLY    A  1  18  ? -15.163 -11.030 21.223  1.00 82.61 18  A  1 
ATOM   122  N N   . LYS    A  1  19  ? -14.765 -10.603 19.067  1.00 85.96 19  A  1 
ATOM   123  C CA  . LYS    A  1  19  ? -13.338 -10.915 19.185  1.00 85.95 19  A  1 
ATOM   124  C C   . LYS    A  1  19  ? -12.654 -10.044 20.235  1.00 85.93 19  A  1 
ATOM   125  O O   . LYS    A  1  19  ? -11.931 -10.541 21.101  1.00 83.05 19  A  1 
ATOM   126  C CB  . LYS    A  1  19  ? -12.628 -10.726 17.843  1.00 84.26 19  A  1 
ATOM   127  C CG  . LYS    A  1  19  ? -13.145 -11.595 16.716  1.00 82.00 19  A  1 
ATOM   128  C CD  . LYS    A  1  19  ? -12.274 -11.487 15.472  1.00 80.42 19  A  1 
ATOM   129  C CE  . LYS    A  1  19  ? -12.232 -10.075 14.901  1.00 77.17 19  A  1 
ATOM   130  N NZ  . LYS    A  1  19  ? -13.566 -9.627  14.406  1.00 74.73 19  A  1 
ATOM   131  N N   . THR    A  1  20  ? -12.888 -8.754  20.137  1.00 86.38 20  A  1 
ATOM   132  C CA  . THR    A  1  20  ? -12.256 -7.821  21.059  1.00 85.78 20  A  1 
ATOM   133  C C   . THR    A  1  20  ? -12.727 -8.044  22.494  1.00 86.38 20  A  1 
ATOM   134  O O   . THR    A  1  20  ? -11.921 -8.045  23.426  1.00 84.31 20  A  1 
ATOM   135  C CB  . THR    A  1  20  ? -12.520 -6.375  20.626  1.00 83.72 20  A  1 
ATOM   136  O OG1 . THR    A  1  20  ? -11.960 -6.167  19.328  1.00 74.34 20  A  1 
ATOM   137  C CG2 . THR    A  1  20  ? -11.906 -5.385  21.604  1.00 72.11 20  A  1 
ATOM   138  N N   . CYS    A  1  21  ? -14.022 -8.246  22.661  1.00 87.28 21  A  1 
ATOM   139  C CA  . CYS    A  1  21  ? -14.548 -8.504  24.001  1.00 87.09 21  A  1 
ATOM   140  C C   . CYS    A  1  21  ? -13.957 -9.785  24.584  1.00 87.89 21  A  1 
ATOM   141  O O   . CYS    A  1  21  ? -13.668 -9.851  25.774  1.00 85.81 21  A  1 
ATOM   142  C CB  . CYS    A  1  21  ? -16.068 -8.605  23.975  1.00 84.71 21  A  1 
ATOM   143  S SG  . CYS    A  1  21  ? -16.902 -7.008  23.810  1.00 76.18 21  A  1 
ATOM   144  N N   . MET    A  1  22  ? -13.799 -10.772 23.742  1.00 86.64 22  A  1 
ATOM   145  C CA  . MET    A  1  22  ? -13.227 -12.034 24.201  1.00 87.57 22  A  1 
ATOM   146  C C   . MET    A  1  22  ? -11.793 -11.823 24.696  1.00 87.40 22  A  1 
ATOM   147  O O   . MET    A  1  22  ? -11.409 -12.348 25.743  1.00 85.24 22  A  1 
ATOM   148  C CB  . MET    A  1  22  ? -13.256 -13.063 23.073  1.00 87.03 22  A  1 
ATOM   149  C CG  . MET    A  1  22  ? -12.705 -14.425 23.455  1.00 84.05 22  A  1 
ATOM   150  S SD  . MET    A  1  22  ? -12.906 -15.657 22.152  1.00 83.80 22  A  1 
ATOM   151  C CE  . MET    A  1  22  ? -11.859 -14.983 20.869  1.00 75.19 22  A  1 
ATOM   152  N N   . LEU    A  1  23  ? -11.034 -11.058 23.958  1.00 87.04 23  A  1 
ATOM   153  C CA  . LEU    A  1  23  ? -9.653  -10.788 24.347  1.00 86.94 23  A  1 
ATOM   154  C C   . LEU    A  1  23  ? -9.583  -9.956  25.625  1.00 86.82 23  A  1 
ATOM   155  O O   . LEU    A  1  23  ? -8.771  -10.232 26.512  1.00 84.62 23  A  1 
ATOM   156  C CB  . LEU    A  1  23  ? -8.917  -10.077 23.214  1.00 85.93 23  A  1 
ATOM   157  C CG  . LEU    A  1  23  ? -8.640  -10.939 21.982  1.00 84.17 23  A  1 
ATOM   158  C CD1 . LEU    A  1  23  ? -8.231  -10.078 20.802  1.00 77.80 23  A  1 
ATOM   159  C CD2 . LEU    A  1  23  ? -7.557  -11.959 22.289  1.00 78.52 23  A  1 
ATOM   160  N N   . ILE    A  1  24  ? -10.426 -8.953  25.711  1.00 86.86 24  A  1 
ATOM   161  C CA  . ILE    A  1  24  ? -10.456 -8.109  26.904  1.00 86.07 24  A  1 
ATOM   162  C C   . ILE    A  1  24  ? -10.858 -8.945  28.113  1.00 85.99 24  A  1 
ATOM   163  O O   . ILE    A  1  24  ? -10.252 -8.847  29.182  1.00 84.22 24  A  1 
ATOM   164  C CB  . ILE    A  1  24  ? -11.427 -6.929  26.724  1.00 84.54 24  A  1 
ATOM   165  C CG1 . ILE    A  1  24  ? -10.879 -5.950  25.682  1.00 79.33 24  A  1 
ATOM   166  C CG2 . ILE    A  1  24  ? -11.659 -6.216  28.053  1.00 77.96 24  A  1 
ATOM   167  C CD1 . ILE    A  1  24  ? -11.861 -4.886  25.249  1.00 72.33 24  A  1 
ATOM   168  N N   . CYS    A  1  25  ? -11.868 -9.755  27.929  1.00 87.75 25  A  1 
ATOM   169  C CA  . CYS    A  1  25  ? -12.342 -10.606 29.014  1.00 87.12 25  A  1 
ATOM   170  C C   . CYS    A  1  25  ? -11.238 -11.553 29.481  1.00 87.19 25  A  1 
ATOM   171  O O   . CYS    A  1  25  ? -11.056 -11.766 30.679  1.00 84.47 25  A  1 
ATOM   172  C CB  . CYS    A  1  25  ? -13.562 -11.401 28.560  1.00 85.39 25  A  1 
ATOM   173  S SG  . CYS    A  1  25  ? -14.214 -12.510 29.822  1.00 74.69 25  A  1 
ATOM   174  N N   . TYR    A  1  26  ? -10.521 -12.096 28.537  1.00 86.30 26  A  1 
ATOM   175  C CA  . TYR    A  1  26  ? -9.446  -13.020 28.887  1.00 86.33 26  A  1 
ATOM   176  C C   . TYR    A  1  26  ? -8.325  -12.333 29.662  1.00 85.70 26  A  1 
ATOM   177  O O   . TYR    A  1  26  ? -7.839  -12.861 30.662  1.00 82.41 26  A  1 
ATOM   178  C CB  . TYR    A  1  26  ? -8.875  -13.666 27.627  1.00 85.95 26  A  1 
ATOM   179  C CG  . TYR    A  1  26  ? -7.702  -14.580 27.895  1.00 86.89 26  A  1 
ATOM   180  C CD1 . TYR    A  1  26  ? -7.873  -15.766 28.597  1.00 80.84 26  A  1 
ATOM   181  C CD2 . TYR    A  1  26  ? -6.427  -14.260 27.450  1.00 81.38 26  A  1 
ATOM   182  C CE1 . TYR    A  1  26  ? -6.804  -16.606 28.849  1.00 80.19 26  A  1 
ATOM   183  C CE2 . TYR    A  1  26  ? -5.352  -15.095 27.695  1.00 80.27 26  A  1 
ATOM   184  C CZ  . TYR    A  1  26  ? -5.544  -16.266 28.394  1.00 83.63 26  A  1 
ATOM   185  O OH  . TYR    A  1  26  ? -4.480  -17.102 28.645  1.00 82.20 26  A  1 
ATOM   186  N N   . THR    A  1  27  ? -7.935  -11.177 29.210  1.00 85.66 27  A  1 
ATOM   187  C CA  . THR    A  1  27  ? -6.815  -10.480 29.845  1.00 84.33 27  A  1 
ATOM   188  C C   . THR    A  1  27  ? -7.191  -9.747  31.127  1.00 83.31 27  A  1 
ATOM   189  O O   . THR    A  1  27  ? -6.357  -9.596  32.016  1.00 79.83 27  A  1 
ATOM   190  C CB  . THR    A  1  27  ? -6.174  -9.477  28.878  1.00 83.19 27  A  1 
ATOM   191  O OG1 . THR    A  1  27  ? -7.146  -8.511  28.467  1.00 73.42 27  A  1 
ATOM   192  C CG2 . THR    A  1  27  ? -5.617  -10.186 27.657  1.00 72.46 27  A  1 
ATOM   193  N N   . SER    A  1  28  ? -8.420  -9.286  31.214  1.00 84.94 28  A  1 
ATOM   194  C CA  . SER    A  1  28  ? -8.851  -8.530  32.391  1.00 83.06 28  A  1 
ATOM   195  C C   . SER    A  1  28  ? -9.811  -9.298  33.293  1.00 82.28 28  A  1 
ATOM   196  O O   . SER    A  1  28  ? -10.098 -8.858  34.405  1.00 77.22 28  A  1 
ATOM   197  C CB  . SER    A  1  28  ? -9.515  -7.223  31.962  1.00 80.35 28  A  1 
ATOM   198  O OG  . SER    A  1  28  ? -10.776 -7.467  31.379  1.00 70.74 28  A  1 
ATOM   199  N N   . ASN    A  1  29  ? -10.310 -10.409 32.795  1.00 81.99 29  A  1 
ATOM   200  C CA  . ASN    A  1  29  ? -11.275 -11.218 33.536  1.00 81.95 29  A  1 
ATOM   201  C C   . ASN    A  1  29  ? -12.519 -10.392 33.873  1.00 82.63 29  A  1 
ATOM   202  O O   . ASN    A  1  29  ? -13.099 -10.518 34.949  1.00 76.43 29  A  1 
ATOM   203  C CB  . ASN    A  1  29  ? -10.638 -11.782 34.810  1.00 78.16 29  A  1 
ATOM   204  C CG  . ASN    A  1  29  ? -11.415 -12.958 35.364  1.00 72.21 29  A  1 
ATOM   205  O OD1 . ASN    A  1  29  ? -11.949 -13.772 34.616  1.00 62.76 29  A  1 
ATOM   206  N ND2 . ASN    A  1  29  ? -11.471 -13.055 36.685  1.00 62.78 29  A  1 
ATOM   207  N N   . LYS    A  1  30  ? -12.904 -9.548  32.932  1.00 80.05 30  A  1 
ATOM   208  C CA  . LYS    A  1  30  ? -14.030 -8.652  33.135  1.00 79.72 30  A  1 
ATOM   209  C C   . LYS    A  1  30  ? -14.649 -8.300  31.790  1.00 79.34 30  A  1 
ATOM   210  O O   . LYS    A  1  30  ? -13.937 -8.049  30.822  1.00 74.15 30  A  1 
ATOM   211  C CB  . LYS    A  1  30  ? -13.552 -7.385  33.853  1.00 75.51 30  A  1 
ATOM   212  C CG  . LYS    A  1  30  ? -14.631 -6.372  34.170  1.00 68.94 30  A  1 
ATOM   213  C CD  . LYS    A  1  30  ? -14.033 -5.180  34.892  1.00 64.32 30  A  1 
ATOM   214  C CE  . LYS    A  1  30  ? -15.082 -4.138  35.226  1.00 56.18 30  A  1 
ATOM   215  N NZ  . LYS    A  1  30  ? -14.486 -2.968  35.927  1.00 50.36 30  A  1 
ATOM   216  N N   . PHE    A  1  31  ? -15.971 -8.291  31.752  1.00 80.03 31  A  1 
ATOM   217  C CA  . PHE    A  1  31  ? -16.662 -7.962  30.513  1.00 79.54 31  A  1 
ATOM   218  C C   . PHE    A  1  31  ? -16.885 -6.454  30.421  1.00 79.63 31  A  1 
ATOM   219  O O   . PHE    A  1  31  ? -17.483 -5.862  31.319  1.00 74.01 31  A  1 
ATOM   220  C CB  . PHE    A  1  31  ? -18.005 -8.688  30.451  1.00 74.77 31  A  1 
ATOM   221  C CG  . PHE    A  1  31  ? -18.755 -8.460  29.168  1.00 71.68 31  A  1 
ATOM   222  C CD1 . PHE    A  1  31  ? -18.363 -9.093  28.003  1.00 65.97 31  A  1 
ATOM   223  C CD2 . PHE    A  1  31  ? -19.850 -7.611  29.130  1.00 65.57 31  A  1 
ATOM   224  C CE1 . PHE    A  1  31  ? -19.046 -8.886  26.819  1.00 60.63 31  A  1 
ATOM   225  C CE2 . PHE    A  1  31  ? -20.537 -7.400  27.945  1.00 60.24 31  A  1 
ATOM   226  C CZ  . PHE    A  1  31  ? -20.135 -8.040  26.787  1.00 61.90 31  A  1 
ATOM   227  N N   . PRO    A  1  32  ? -16.428 -5.848  29.354  1.00 80.23 32  A  1 
ATOM   228  C CA  . PRO    A  1  32  ? -16.590 -4.401  29.207  1.00 78.80 32  A  1 
ATOM   229  C C   . PRO    A  1  32  ? -18.037 -4.025  28.901  1.00 79.33 32  A  1 
ATOM   230  O O   . PRO    A  1  32  ? -18.705 -4.690  28.111  1.00 74.63 32  A  1 
ATOM   231  C CB  . PRO    A  1  32  ? -15.671 -4.066  28.036  1.00 74.28 32  A  1 
ATOM   232  C CG  . PRO    A  1  32  ? -15.661 -5.309  27.217  1.00 72.67 32  A  1 
ATOM   233  C CD  . PRO    A  1  32  ? -15.714 -6.437  28.214  1.00 76.14 32  A  1 
ATOM   234  N N   . THR    A  1  33  ? -18.504 -2.950  29.517  1.00 78.50 33  A  1 
ATOM   235  C CA  . THR    A  1  33  ? -19.880 -2.512  29.308  1.00 77.49 33  A  1 
ATOM   236  C C   . THR    A  1  33  ? -19.969 -1.061  28.849  1.00 77.16 33  A  1 
ATOM   237  O O   . THR    A  1  33  ? -20.642 -0.761  27.866  1.00 71.97 33  A  1 
ATOM   238  C CB  . THR    A  1  33  ? -20.705 -2.672  30.592  1.00 73.53 33  A  1 
ATOM   239  O OG1 . THR    A  1  33  ? -20.068 -1.972  31.667  1.00 66.53 33  A  1 
ATOM   240  C CG2 . THR    A  1  33  ? -20.848 -4.139  30.961  1.00 63.96 33  A  1 
ATOM   241  N N   . ASP    A  1  34  ? -19.307 -0.178  29.568  1.00 76.93 34  A  1 
ATOM   242  C CA  . ASP    A  1  34  ? -19.388 1.241   29.238  1.00 75.80 34  A  1 
ATOM   243  C C   . ASP    A  1  34  ? -18.681 1.581   27.933  1.00 75.38 34  A  1 
ATOM   244  O O   . ASP    A  1  34  ? -19.249 2.246   27.065  1.00 70.98 34  A  1 
ATOM   245  C CB  . ASP    A  1  34  ? -18.800 2.079   30.374  1.00 72.51 34  A  1 
ATOM   246  C CG  . ASP    A  1  34  ? -19.613 1.971   31.651  1.00 65.91 34  A  1 
ATOM   247  O OD1 . ASP    A  1  34  ? -20.801 1.607   31.576  1.00 59.36 34  A  1 
ATOM   248  O OD2 . ASP    A  1  34  ? -19.058 2.258   32.727  1.00 59.39 34  A  1 
ATOM   249  N N   . TYR    A  1  35  ? -17.465 1.134   27.817  1.00 76.43 35  A  1 
ATOM   250  C CA  . TYR    A  1  35  ? -16.690 1.436   26.621  1.00 75.40 35  A  1 
ATOM   251  C C   . TYR    A  1  35  ? -16.055 0.173   26.059  1.00 76.19 35  A  1 
ATOM   252  O O   . TYR    A  1  35  ? -15.343 -0.537  26.765  1.00 72.46 35  A  1 
ATOM   253  C CB  . TYR    A  1  35  ? -15.608 2.464   26.935  1.00 71.35 35  A  1 
ATOM   254  C CG  . TYR    A  1  35  ? -14.639 2.683   25.796  1.00 66.48 35  A  1 
ATOM   255  C CD1 . TYR    A  1  35  ? -15.038 3.331   24.637  1.00 60.48 35  A  1 
ATOM   256  C CD2 . TYR    A  1  35  ? -13.329 2.231   25.874  1.00 59.87 35  A  1 
ATOM   257  C CE1 . TYR    A  1  35  ? -14.162 3.526   23.584  1.00 54.03 35  A  1 
ATOM   258  C CE2 . TYR    A  1  35  ? -12.443 2.418   24.826  1.00 54.66 35  A  1 
ATOM   259  C CZ  . TYR    A  1  35  ? -12.864 3.067   23.681  1.00 54.55 35  A  1 
ATOM   260  O OH  . TYR    A  1  35  ? -11.991 3.253   22.635  1.00 50.51 35  A  1 
ATOM   261  N N   . ILE    A  1  36  ? -16.328 -0.069  24.792  1.00 78.16 36  A  1 
ATOM   262  C CA  . ILE    A  1  36  ? -15.755 -1.223  24.115  1.00 77.64 36  A  1 
ATOM   263  C C   . ILE    A  1  36  ? -14.966 -0.728  22.912  1.00 77.26 36  A  1 
ATOM   264  O O   . ILE    A  1  36  ? -15.552 -0.244  21.941  1.00 72.55 36  A  1 
ATOM   265  C CB  . ILE    A  1  36  ? -16.841 -2.206  23.651  1.00 74.38 36  A  1 
ATOM   266  C CG1 . ILE    A  1  36  ? -17.662 -2.692  24.847  1.00 67.96 36  A  1 
ATOM   267  C CG2 . ILE    A  1  36  ? -16.203 -3.383  22.923  1.00 65.47 36  A  1 
ATOM   268  C CD1 . ILE    A  1  36  ? -18.852 -3.545  24.471  1.00 60.39 36  A  1 
ATOM   269  N N   . PRO    A  1  37  ? -13.659 -0.840  22.962  1.00 78.28 37  A  1 
ATOM   270  C CA  . PRO    A  1  37  ? -12.851 -0.383  21.835  1.00 76.82 37  A  1 
ATOM   271  C C   . PRO    A  1  37  ? -13.064 -1.261  20.605  1.00 77.01 37  A  1 
ATOM   272  O O   . PRO    A  1  37  ? -13.454 -2.420  20.718  1.00 73.62 37  A  1 
ATOM   273  C CB  . PRO    A  1  37  ? -11.419 -0.494  22.357  1.00 73.38 37  A  1 
ATOM   274  C CG  . PRO    A  1  37  ? -11.492 -1.563  23.384  1.00 71.54 37  A  1 
ATOM   275  C CD  . PRO    A  1  37  ? -12.831 -1.392  24.041  1.00 74.60 37  A  1 
ATOM   276  N N   . THR    A  1  38  ? -12.821 -0.684  19.451  1.00 77.25 38  A  1 
ATOM   277  C CA  . THR    A  1  38  ? -12.983 -1.409  18.197  1.00 74.83 38  A  1 
ATOM   278  C C   . THR    A  1  38  ? -11.906 -2.475  18.028  1.00 74.44 38  A  1 
ATOM   279  O O   . THR    A  1  38  ? -12.142 -3.517  17.421  1.00 70.31 38  A  1 
ATOM   280  C CB  . THR    A  1  38  ? -12.931 -0.440  17.010  1.00 70.62 38  A  1 
ATOM   281  O OG1 . THR    A  1  38  ? -13.954 0.551   17.157  1.00 63.41 38  A  1 
ATOM   282  C CG2 . THR    A  1  38  ? -13.131 -1.176  15.696  1.00 61.29 38  A  1 
ATOM   283  N N   . VAL    A  1  39  ? -10.749 -2.196  18.564  1.00 74.95 39  A  1 
ATOM   284  C CA  . VAL    A  1  39  ? -9.640  -3.128  18.437  1.00 74.98 39  A  1 
ATOM   285  C C   . VAL    A  1  39  ? -8.912  -3.275  19.766  1.00 75.88 39  A  1 
ATOM   286  O O   . VAL    A  1  39  ? -8.871  -2.347  20.576  1.00 71.33 39  A  1 
ATOM   287  C CB  . VAL    A  1  39  ? -8.664  -2.663  17.338  1.00 69.72 39  A  1 
ATOM   288  C CG1 . VAL    A  1  39  ? -7.995  -1.356  17.736  1.00 61.31 39  A  1 
ATOM   289  C CG2 . VAL    A  1  39  ? -7.633  -3.731  17.048  1.00 62.34 39  A  1 
ATOM   290  N N   . PHE    A  1  40  ? -8.354  -4.436  19.960  1.00 76.66 40  A  1 
ATOM   291  C CA  . PHE    A  1  40  ? -7.615  -4.751  21.173  1.00 76.52 40  A  1 
ATOM   292  C C   . PHE    A  1  40  ? -6.123  -4.568  20.893  1.00 77.87 40  A  1 
ATOM   293  O O   . PHE    A  1  40  ? -5.607  -5.141  19.942  1.00 72.56 40  A  1 
ATOM   294  C CB  . PHE    A  1  40  ? -7.929  -6.199  21.559  1.00 72.27 40  A  1 
ATOM   295  C CG  . PHE    A  1  40  ? -7.188  -6.710  22.760  1.00 70.84 40  A  1 
ATOM   296  C CD1 . PHE    A  1  40  ? -7.645  -6.440  24.036  1.00 64.85 40  A  1 
ATOM   297  C CD2 . PHE    A  1  40  ? -6.056  -7.489  22.609  1.00 64.82 40  A  1 
ATOM   298  C CE1 . PHE    A  1  40  ? -6.975  -6.931  25.144  1.00 60.46 40  A  1 
ATOM   299  C CE2 . PHE    A  1  40  ? -5.378  -7.983  23.713  1.00 60.13 40  A  1 
ATOM   300  C CZ  . PHE    A  1  40  ? -5.840  -7.706  24.982  1.00 63.24 40  A  1 
ATOM   301  N N   . ASP    A  1  41  ? -5.472  -3.777  21.720  1.00 78.98 41  A  1 
ATOM   302  C CA  . ASP    A  1  41  ? -4.043  -3.557  21.526  1.00 77.84 41  A  1 
ATOM   303  C C   . ASP    A  1  41  ? -3.274  -4.855  21.725  1.00 78.72 41  A  1 
ATOM   304  O O   . ASP    A  1  41  ? -3.652  -5.684  22.549  1.00 73.71 41  A  1 
ATOM   305  C CB  . ASP    A  1  41  ? -3.523  -2.508  22.501  1.00 73.82 41  A  1 
ATOM   306  C CG  . ASP    A  1  41  ? -4.036  -1.116  22.185  1.00 68.88 41  A  1 
ATOM   307  O OD1 . ASP    A  1  41  ? -4.358  -0.842  21.013  1.00 61.65 41  A  1 
ATOM   308  O OD2 . ASP    A  1  41  ? -4.106  -0.293  23.117  1.00 61.78 41  A  1 
ATOM   309  N N   . ASN    A  1  42  ? -2.203  -4.998  20.979  1.00 80.80 42  A  1 
ATOM   310  C CA  . ASN    A  1  42  ? -1.395  -6.200  21.115  1.00 80.27 42  A  1 
ATOM   311  C C   . ASN    A  1  42  ? -0.987  -6.380  22.572  1.00 80.56 42  A  1 
ATOM   312  O O   . ASN    A  1  42  ? -0.586  -5.427  23.239  1.00 75.03 42  A  1 
ATOM   313  C CB  . ASN    A  1  42  ? -0.162  -6.130  20.222  1.00 75.96 42  A  1 
ATOM   314  C CG  . ASN    A  1  42  ? -0.508  -6.214  18.748  1.00 70.03 42  A  1 
ATOM   315  O OD1 . ASN    A  1  42  ? -1.648  -6.490  18.375  1.00 61.14 42  A  1 
ATOM   316  N ND2 . ASN    A  1  42  ? 0.482   -5.983  17.902  1.00 63.61 42  A  1 
ATOM   317  N N   . PHE    A  1  43  ? -1.102  -7.594  23.020  1.00 82.39 43  A  1 
ATOM   318  C CA  . PHE    A  1  43  ? -0.875  -7.908  24.420  1.00 82.56 43  A  1 
ATOM   319  C C   . PHE    A  1  43  ? 0.073   -9.088  24.542  1.00 84.10 43  A  1 
ATOM   320  O O   . PHE    A  1  43  ? 0.035   -10.010 23.732  1.00 80.29 43  A  1 
ATOM   321  C CB  . PHE    A  1  43  ? -2.225  -8.215  25.075  1.00 78.07 43  A  1 
ATOM   322  C CG  . PHE    A  1  43  ? -2.149  -8.650  26.511  1.00 72.87 43  A  1 
ATOM   323  C CD1 . PHE    A  1  43  ? -1.967  -9.983  26.833  1.00 66.76 43  A  1 
ATOM   324  C CD2 . PHE    A  1  43  ? -2.279  -7.726  27.532  1.00 64.80 43  A  1 
ATOM   325  C CE1 . PHE    A  1  43  ? -1.910  -10.390 28.158  1.00 59.80 43  A  1 
ATOM   326  C CE2 . PHE    A  1  43  ? -2.229  -8.126  28.858  1.00 58.19 43  A  1 
ATOM   327  C CZ  . PHE    A  1  43  ? -2.044  -9.460  29.169  1.00 57.67 43  A  1 
ATOM   328  N N   . SER    A  1  44  ? 0.898   -9.047  25.560  1.00 80.41 44  A  1 
ATOM   329  C CA  . SER    A  1  44  ? 1.831   -10.134 25.796  1.00 80.40 44  A  1 
ATOM   330  C C   . SER    A  1  44  ? 1.943   -10.390 27.287  1.00 80.95 44  A  1 
ATOM   331  O O   . SER    A  1  44  ? 2.068   -9.453  28.073  1.00 77.49 44  A  1 
ATOM   332  C CB  . SER    A  1  44  ? 3.199   -9.798  25.217  1.00 76.99 44  A  1 
ATOM   333  O OG  . SER    A  1  44  ? 4.117   -10.844 25.444  1.00 65.68 44  A  1 
ATOM   334  N N   . ALA    A  1  45  ? 1.888   -11.648 27.654  1.00 83.77 45  A  1 
ATOM   335  C CA  . ALA    A  1  45  ? 1.983   -12.005 29.058  1.00 83.31 45  A  1 
ATOM   336  C C   . ALA    A  1  45  ? 2.338   -13.472 29.214  1.00 84.76 45  A  1 
ATOM   337  O O   . ALA    A  1  45  ? 2.113   -14.279 28.311  1.00 81.76 45  A  1 
ATOM   338  C CB  . ALA    A  1  45  ? 0.677   -11.710 29.773  1.00 79.54 45  A  1 
ATOM   339  N N   . ASN    A  1  46  ? 2.874   -13.796 30.365  1.00 85.31 46  A  1 
ATOM   340  C CA  . ASN    A  1  46  ? 3.203   -15.181 30.657  1.00 85.11 46  A  1 
ATOM   341  C C   . ASN    A  1  46  ? 1.944   -15.909 31.101  1.00 85.00 46  A  1 
ATOM   342  O O   . ASN    A  1  46  ? 1.199   -15.414 31.944  1.00 81.80 46  A  1 
ATOM   343  C CB  . ASN    A  1  46  ? 4.265   -15.263 31.741  1.00 83.09 46  A  1 
ATOM   344  C CG  . ASN    A  1  46  ? 5.614   -14.770 31.265  1.00 79.75 46  A  1 
ATOM   345  O OD1 . ASN    A  1  46  ? 5.978   -14.937 30.105  1.00 70.55 46  A  1 
ATOM   346  N ND2 . ASN    A  1  46  ? 6.370   -14.153 32.164  1.00 71.51 46  A  1 
ATOM   347  N N   . VAL    A  1  47  ? 1.723   -17.068 30.526  1.00 86.03 47  A  1 
ATOM   348  C CA  . VAL    A  1  47  ? 0.541   -17.858 30.835  1.00 85.73 47  A  1 
ATOM   349  C C   . VAL    A  1  47  ? 0.963   -19.282 31.162  1.00 85.57 47  A  1 
ATOM   350  O O   . VAL    A  1  47  ? 1.811   -19.857 30.487  1.00 83.20 47  A  1 
ATOM   351  C CB  . VAL    A  1  47  ? -0.441  -17.868 29.655  1.00 84.13 47  A  1 
ATOM   352  C CG1 . VAL    A  1  47  ? -1.659  -18.722 29.977  1.00 74.34 47  A  1 
ATOM   353  C CG2 . VAL    A  1  47  ? -0.870  -16.450 29.304  1.00 75.23 47  A  1 
ATOM   354  N N   . ALA    A  1  48  ? 0.348   -19.828 32.188  1.00 85.43 48  A  1 
ATOM   355  C CA  . ALA    A  1  48  ? 0.645   -21.194 32.586  1.00 84.91 48  A  1 
ATOM   356  C C   . ALA    A  1  48  ? -0.428  -22.140 32.073  1.00 84.81 48  A  1 
ATOM   357  O O   . ALA    A  1  48  ? -1.614  -21.944 32.332  1.00 81.69 48  A  1 
ATOM   358  C CB  . ALA    A  1  48  ? 0.747   -21.292 34.104  1.00 82.67 48  A  1 
ATOM   359  N N   . VAL    A  1  49  ? -0.001  -23.148 31.352  1.00 83.29 49  A  1 
ATOM   360  C CA  . VAL    A  1  49  ? -0.911  -24.154 30.822  1.00 82.69 49  A  1 
ATOM   361  C C   . VAL    A  1  49  ? -0.261  -25.520 31.012  1.00 82.03 49  A  1 
ATOM   362  O O   . VAL    A  1  49  ? 0.843   -25.759 30.531  1.00 78.86 49  A  1 
ATOM   363  C CB  . VAL    A  1  49  ? -1.216  -23.927 29.334  1.00 80.67 49  A  1 
ATOM   364  C CG1 . VAL    A  1  49  ? -2.107  -25.040 28.807  1.00 71.29 49  A  1 
ATOM   365  C CG2 . VAL    A  1  49  ? -1.883  -22.579 29.127  1.00 72.23 49  A  1 
ATOM   366  N N   . ASP    A  1  50  ? -0.963  -26.383 31.707  1.00 81.57 50  A  1 
ATOM   367  C CA  . ASP    A  1  50  ? -0.448  -27.728 31.980  1.00 80.61 50  A  1 
ATOM   368  C C   . ASP    A  1  50  ? 0.936   -27.687 32.625  1.00 80.66 50  A  1 
ATOM   369  O O   . ASP    A  1  50  ? 1.806   -28.501 32.317  1.00 75.04 50  A  1 
ATOM   370  C CB  . ASP    A  1  50  ? -0.403  -28.561 30.694  1.00 77.48 50  A  1 
ATOM   371  C CG  . ASP    A  1  50  ? -1.784  -28.848 30.135  1.00 71.82 50  A  1 
ATOM   372  O OD1 . ASP    A  1  50  ? -2.769  -28.754 30.893  1.00 64.60 50  A  1 
ATOM   373  O OD2 . ASP    A  1  50  ? -1.879  -29.177 28.937  1.00 64.87 50  A  1 
ATOM   374  N N   . GLY    A  1  51  ? 1.110   -26.735 33.511  1.00 82.58 51  A  1 
ATOM   375  C CA  . GLY    A  1  51  ? 2.383   -26.617 34.206  1.00 81.55 51  A  1 
ATOM   376  C C   . GLY    A  1  51  ? 3.495   -25.991 33.386  1.00 82.17 51  A  1 
ATOM   377  O O   . GLY    A  1  51  ? 4.620   -25.869 33.866  1.00 78.02 51  A  1 
ATOM   378  N N   . GLN    A  1  52  ? 3.185   -25.607 32.174  1.00 83.31 52  A  1 
ATOM   379  C CA  . GLN    A  1  52  ? 4.181   -24.989 31.309  1.00 83.01 52  A  1 
ATOM   380  C C   . GLN    A  1  52  ? 3.933   -23.491 31.230  1.00 83.66 52  A  1 
ATOM   381  O O   . GLN    A  1  52  ? 2.795   -23.052 31.078  1.00 80.66 52  A  1 
ATOM   382  C CB  . GLN    A  1  52  ? 4.126   -25.586 29.906  1.00 80.00 52  A  1 
ATOM   383  C CG  . GLN    A  1  52  ? 4.410   -27.076 29.856  1.00 71.80 52  A  1 
ATOM   384  C CD  . GLN    A  1  52  ? 4.303   -27.631 28.454  1.00 68.69 52  A  1 
ATOM   385  O OE1 . GLN    A  1  52  ? 4.854   -27.065 27.509  1.00 62.24 52  A  1 
ATOM   386  N NE2 . GLN    A  1  52  ? 3.596   -28.741 28.305  1.00 60.01 52  A  1 
ATOM   387  N N   . ILE    A  1  53  ? 5.003   -22.737 31.331  1.00 84.97 53  A  1 
ATOM   388  C CA  . ILE    A  1  53  ? 4.889   -21.288 31.233  1.00 84.76 53  A  1 
ATOM   389  C C   . ILE    A  1  53  ? 5.307   -20.847 29.839  1.00 84.95 53  A  1 
ATOM   390  O O   . ILE    A  1  53  ? 6.415   -21.141 29.394  1.00 81.36 53  A  1 
ATOM   391  C CB  . ILE    A  1  53  ? 5.776   -20.582 32.273  1.00 82.42 53  A  1 
ATOM   392  C CG1 . ILE    A  1  53  ? 5.498   -21.114 33.686  1.00 72.89 53  A  1 
ATOM   393  C CG2 . ILE    A  1  53  ? 5.547   -19.076 32.212  1.00 69.69 53  A  1 
ATOM   394  C CD1 . ILE    A  1  53  ? 4.082   -20.903 34.163  1.00 63.30 53  A  1 
ATOM   395  N N   . VAL    A  1  54  ? 4.417   -20.140 29.181  1.00 85.57 54  A  1 
ATOM   396  C CA  . VAL    A  1  54  ? 4.721   -19.631 27.849  1.00 85.95 54  A  1 
ATOM   397  C C   . VAL    A  1  54  ? 4.399   -18.149 27.797  1.00 86.17 54  A  1 
ATOM   398  O O   . VAL    A  1  54  ? 3.545   -17.663 28.535  1.00 83.96 54  A  1 
ATOM   399  C CB  . VAL    A  1  54  ? 3.924   -20.354 26.749  1.00 84.31 54  A  1 
ATOM   400  C CG1 . VAL    A  1  54  ? 4.205   -21.846 26.783  1.00 73.95 54  A  1 
ATOM   401  C CG2 . VAL    A  1  54  ? 2.433   -20.089 26.892  1.00 75.39 54  A  1 
ATOM   402  N N   . ASN    A  1  55  ? 5.083   -17.458 26.925  1.00 88.13 55  A  1 
ATOM   403  C CA  . ASN    A  1  55  ? 4.811   -16.043 26.733  1.00 88.56 55  A  1 
ATOM   404  C C   . ASN    A  1  55  ? 3.801   -15.950 25.599  1.00 88.71 55  A  1 
ATOM   405  O O   . ASN    A  1  55  ? 4.134   -16.211 24.443  1.00 86.14 55  A  1 
ATOM   406  C CB  . ASN    A  1  55  ? 6.095   -15.294 26.392  1.00 86.45 55  A  1 
ATOM   407  C CG  . ASN    A  1  55  ? 5.913   -13.793 26.428  1.00 79.67 55  A  1 
ATOM   408  O OD1 . ASN    A  1  55  ? 5.067   -13.242 25.730  1.00 68.95 55  A  1 
ATOM   409  N ND2 . ASN    A  1  55  ? 6.699   -13.121 27.250  1.00 69.75 55  A  1 
ATOM   410  N N   . LEU    A  1  56  ? 2.582   -15.607 25.946  1.00 87.91 56  A  1 
ATOM   411  C CA  . LEU    A  1  56  ? 1.508   -15.554 24.964  1.00 88.70 56  A  1 
ATOM   412  C C   . LEU    A  1  56  ? 1.292   -14.147 24.434  1.00 88.38 56  A  1 
ATOM   413  O O   . LEU    A  1  56  ? 1.006   -13.226 25.193  1.00 85.69 56  A  1 
ATOM   414  C CB  . LEU    A  1  56  ? 0.207   -16.063 25.581  1.00 87.61 56  A  1 
ATOM   415  C CG  . LEU    A  1  56  ? -1.028  -16.059 24.671  1.00 86.44 56  A  1 
ATOM   416  C CD1 . LEU    A  1  56  ? -0.848  -17.026 23.521  1.00 78.98 56  A  1 
ATOM   417  C CD2 . LEU    A  1  56  ? -2.271  -16.416 25.474  1.00 79.54 56  A  1 
ATOM   418  N N   . GLY    A  1  57  ? 1.414   -14.010 23.128  1.00 89.84 57  A  1 
ATOM   419  C CA  . GLY    A  1  57  ? 1.154   -12.747 22.479  1.00 89.83 57  A  1 
ATOM   420  C C   . GLY    A  1  57  ? -0.212  -12.816 21.831  1.00 90.38 57  A  1 
ATOM   421  O O   . GLY    A  1  57  ? -0.511  -13.773 21.123  1.00 87.79 57  A  1 
ATOM   422  N N   . LEU    A  1  58  ? -1.028  -11.810 22.087  1.00 88.28 58  A  1 
ATOM   423  C CA  . LEU    A  1  58  ? -2.377  -11.777 21.538  1.00 88.03 58  A  1 
ATOM   424  C C   . LEU    A  1  58  ? -2.537  -10.633 20.548  1.00 87.38 58  A  1 
ATOM   425  O O   . LEU    A  1  58  ? -2.294  -9.478  20.887  1.00 83.84 58  A  1 
ATOM   426  C CB  . LEU    A  1  58  ? -3.405  -11.623 22.657  1.00 86.45 58  A  1 
ATOM   427  C CG  . LEU    A  1  58  ? -3.448  -12.737 23.701  1.00 84.25 58  A  1 
ATOM   428  C CD1 . LEU    A  1  58  ? -4.396  -12.366 24.828  1.00 78.42 58  A  1 
ATOM   429  C CD2 . LEU    A  1  58  ? -3.879  -14.045 23.062  1.00 79.66 58  A  1 
ATOM   430  N N   . TRP    A  1  59  ? -2.969  -10.969 19.354  1.00 89.50 59  A  1 
ATOM   431  C CA  . TRP    A  1  59  ? -3.208  -9.988  18.304  1.00 89.21 59  A  1 
ATOM   432  C C   . TRP    A  1  59  ? -4.689  -9.969  17.975  1.00 88.45 59  A  1 
ATOM   433  O O   . TRP    A  1  59  ? -5.304  -11.017 17.797  1.00 83.54 59  A  1 
ATOM   434  C CB  . TRP    A  1  59  ? -2.449  -10.353 17.030  1.00 87.50 59  A  1 
ATOM   435  C CG  . TRP    A  1  59  ? -1.061  -9.818  16.924  1.00 85.00 59  A  1 
ATOM   436  C CD1 . TRP    A  1  59  ? -0.635  -8.826  16.094  1.00 73.63 59  A  1 
ATOM   437  C CD2 . TRP    A  1  59  ? 0.093   -10.250 17.647  1.00 80.47 59  A  1 
ATOM   438  N NE1 . TRP    A  1  59  ? 0.708   -8.616  16.255  1.00 73.69 59  A  1 
ATOM   439  C CE2 . TRP    A  1  59  ? 1.188   -9.474  17.203  1.00 77.54 59  A  1 
ATOM   440  C CE3 . TRP    A  1  59  ? 0.323   -11.220 18.632  1.00 73.08 59  A  1 
ATOM   441  C CZ2 . TRP    A  1  59  ? 2.479   -9.640  17.707  1.00 76.63 59  A  1 
ATOM   442  C CZ3 . TRP    A  1  59  ? 1.610   -11.375 19.133  1.00 66.65 59  A  1 
ATOM   443  C CH2 . TRP    A  1  59  ? 2.665   -10.595 18.671  1.00 69.07 59  A  1 
ATOM   444  N N   . ASP    A  1  60  ? -5.225  -8.776  17.866  1.00 85.57 60  A  1 
ATOM   445  C CA  . ASP    A  1  60  ? -6.607  -8.615  17.455  1.00 84.48 60  A  1 
ATOM   446  C C   . ASP    A  1  60  ? -6.601  -8.129  16.010  1.00 84.15 60  A  1 
ATOM   447  O O   . ASP    A  1  60  ? -5.626  -7.539  15.557  1.00 78.92 60  A  1 
ATOM   448  C CB  . ASP    A  1  60  ? -7.321  -7.605  18.355  1.00 81.71 60  A  1 
ATOM   449  C CG  . ASP    A  1  60  ? -8.835  -7.631  18.197  1.00 79.98 60  A  1 
ATOM   450  O OD1 . ASP    A  1  60  ? -9.351  -8.523  17.497  1.00 73.23 60  A  1 
ATOM   451  O OD2 . ASP    A  1  60  ? -9.508  -6.763  18.791  1.00 74.35 60  A  1 
ATOM   452  N N   . THR    A  1  61  ? -7.683  -8.395  15.308  1.00 85.56 61  A  1 
ATOM   453  C CA  . THR    A  1  61  ? -7.806  -7.928  13.932  1.00 83.96 61  A  1 
ATOM   454  C C   . THR    A  1  61  ? -9.216  -7.405  13.731  1.00 82.16 61  A  1 
ATOM   455  O O   . THR    A  1  61  ? -10.138 -7.765  14.461  1.00 75.28 61  A  1 
ATOM   456  C CB  . THR    A  1  61  ? -7.551  -9.043  12.904  1.00 81.70 61  A  1 
ATOM   457  O OG1 . THR    A  1  61  ? -8.557  -10.055 13.025  1.00 71.76 61  A  1 
ATOM   458  C CG2 . THR    A  1  61  ? -6.177  -9.661  13.085  1.00 70.83 61  A  1 
ATOM   459  N N   . ALA    A  1  62  ? -9.372  -6.568  12.732  1.00 82.63 62  A  1 
ATOM   460  C CA  . ALA    A  1  62  ? -10.689 -6.044  12.412  1.00 80.45 62  A  1 
ATOM   461  C C   . ALA    A  1  62  ? -11.385 -7.014  11.471  1.00 80.04 62  A  1 
ATOM   462  O O   . ALA    A  1  62  ? -10.781 -7.497  10.516  1.00 73.14 62  A  1 
ATOM   463  C CB  . ALA    A  1  62  ? -10.572 -4.674  11.769  1.00 75.40 62  A  1 
ATOM   464  N N   . GLY    A  1  63  ? -12.640 -7.286  11.748  1.00 79.59 63  A  1 
ATOM   465  C CA  . GLY    A  1  63  ? -13.383 -8.220  10.918  1.00 77.94 63  A  1 
ATOM   466  C C   . GLY    A  1  63  ? -14.049 -7.599  9.712   1.00 79.46 63  A  1 
ATOM   467  O O   . GLY    A  1  63  ? -14.478 -8.310  8.807   1.00 73.96 63  A  1 
ATOM   468  N N   . GLN    A  1  64  ? -14.133 -6.296  9.697   1.00 79.74 64  A  1 
ATOM   469  C CA  . GLN    A  1  64  ? -14.801 -5.593  8.607   1.00 79.34 64  A  1 
ATOM   470  C C   . GLN    A  1  64  ? -14.036 -5.723  7.296   1.00 80.79 64  A  1 
ATOM   471  O O   . GLN    A  1  64  ? -12.809 -5.790  7.273   1.00 76.22 64  A  1 
ATOM   472  C CB  . GLN    A  1  64  ? -14.987 -4.116  8.949   1.00 75.09 64  A  1 
ATOM   473  C CG  . GLN    A  1  64  ? -15.961 -3.836  10.091  1.00 68.47 64  A  1 
ATOM   474  C CD  . GLN    A  1  64  ? -15.378 -4.094  11.465  1.00 63.47 64  A  1 
ATOM   475  O OE1 . GLN    A  1  64  ? -14.203 -4.435  11.611  1.00 58.40 64  A  1 
ATOM   476  N NE2 . GLN    A  1  64  ? -16.197 -3.928  12.502  1.00 54.50 64  A  1 
ATOM   477  N N   . GLU    A  1  65  ? -14.798 -5.728  6.221   1.00 79.42 65  A  1 
ATOM   478  C CA  . GLU    A  1  65  ? -14.228 -5.868  4.885   1.00 78.56 65  A  1 
ATOM   479  C C   . GLU    A  1  65  ? -13.224 -4.764  4.565   1.00 79.73 65  A  1 
ATOM   480  O O   . GLU    A  1  65  ? -12.280 -4.980  3.810   1.00 74.84 65  A  1 
ATOM   481  C CB  . GLU    A  1  65  ? -15.353 -5.870  3.846   1.00 75.11 65  A  1 
ATOM   482  C CG  . GLU    A  1  65  ? -14.910 -6.225  2.438   1.00 67.59 65  A  1 
ATOM   483  C CD  . GLU    A  1  65  ? -14.447 -7.665  2.320   1.00 61.28 65  A  1 
ATOM   484  O OE1 . GLU    A  1  65  ? -14.819 -8.494  3.180   1.00 55.61 65  A  1 
ATOM   485  O OE2 . GLU    A  1  65  ? -13.712 -7.971  1.362   1.00 54.60 65  A  1 
ATOM   486  N N   . ASP    A  1  66  ? -13.433 -3.609  5.145   1.00 79.95 66  A  1 
ATOM   487  C CA  . ASP    A  1  66  ? -12.558 -2.467  4.878   1.00 79.85 66  A  1 
ATOM   488  C C   . ASP    A  1  66  ? -11.100 -2.719  5.256   1.00 80.95 66  A  1 
ATOM   489  O O   . ASP    A  1  66  ? -10.207 -2.061  4.731   1.00 76.79 66  A  1 
ATOM   490  C CB  . ASP    A  1  66  ? -13.056 -1.230  5.623   1.00 76.24 66  A  1 
ATOM   491  C CG  . ASP    A  1  66  ? -14.382 -0.720  5.092   1.00 69.22 66  A  1 
ATOM   492  O OD1 . ASP    A  1  66  ? -14.824 -1.186  4.022   1.00 62.32 66  A  1 
ATOM   493  O OD2 . ASP    A  1  66  ? -14.975 0.153   5.750   1.00 62.15 66  A  1 
ATOM   494  N N   . TYR    A  1  67  ? -10.872 -3.640  6.161   1.00 79.56 67  A  1 
ATOM   495  C CA  . TYR    A  1  67  ? -9.521  -3.915  6.634   1.00 80.40 67  A  1 
ATOM   496  C C   . TYR    A  1  67  ? -8.897  -5.154  6.003   1.00 81.77 67  A  1 
ATOM   497  O O   . TYR    A  1  67  ? -7.862  -5.631  6.471   1.00 77.96 67  A  1 
ATOM   498  C CB  . TYR    A  1  67  ? -9.525  -4.062  8.153   1.00 77.31 67  A  1 
ATOM   499  C CG  . TYR    A  1  67  ? -9.955  -2.807  8.869   1.00 73.88 67  A  1 
ATOM   500  C CD1 . TYR    A  1  67  ? -9.058  -1.773  9.089   1.00 68.91 67  A  1 
ATOM   501  C CD2 . TYR    A  1  67  ? -11.260 -2.648  9.310   1.00 67.26 67  A  1 
ATOM   502  C CE1 . TYR    A  1  67  ? -9.448  -0.614  9.733   1.00 64.69 67  A  1 
ATOM   503  C CE2 . TYR    A  1  67  ? -11.661 -1.487  9.955   1.00 63.37 67  A  1 
ATOM   504  C CZ  . TYR    A  1  67  ? -10.748 -0.476  10.165  1.00 64.66 67  A  1 
ATOM   505  O OH  . TYR    A  1  67  ? -11.142 0.676   10.806  1.00 61.27 67  A  1 
ATOM   506  N N   . SER    A  1  68  ? -9.515  -5.654  4.965   1.00 85.16 68  A  1 
ATOM   507  C CA  . SER    A  1  68  ? -9.039  -6.881  4.337   1.00 84.53 68  A  1 
ATOM   508  C C   . SER    A  1  68  ? -7.592  -6.816  3.853   1.00 85.09 68  A  1 
ATOM   509  O O   . SER    A  1  68  ? -6.912  -7.838  3.815   1.00 81.65 68  A  1 
ATOM   510  C CB  . SER    A  1  68  ? -9.946  -7.261  3.169   1.00 82.43 68  A  1 
ATOM   511  O OG  . SER    A  1  68  ? -9.922  -6.277  2.164   1.00 71.78 68  A  1 
ATOM   512  N N   . ARG    A  1  69  ? -7.135  -5.640  3.507   1.00 85.20 69  A  1 
ATOM   513  C CA  . ARG    A  1  69  ? -5.766  -5.529  3.022   1.00 85.17 69  A  1 
ATOM   514  C C   . ARG    A  1  69  ? -4.743  -5.216  4.109   1.00 86.04 69  A  1 
ATOM   515  O O   . ARG    A  1  69  ? -3.545  -5.298  3.868   1.00 82.44 69  A  1 
ATOM   516  C CB  . ARG    A  1  69  ? -5.685  -4.495  1.911   1.00 83.15 69  A  1 
ATOM   517  C CG  . ARG    A  1  69  ? -6.344  -4.993  0.649   1.00 76.12 69  A  1 
ATOM   518  C CD  . ARG    A  1  69  ? -6.258  -4.005  -0.471  1.00 73.26 69  A  1 
ATOM   519  N NE  . ARG    A  1  69  ? -6.786  -4.584  -1.699  1.00 64.27 69  A  1 
ATOM   520  C CZ  . ARG    A  1  69  ? -7.022  -3.904  -2.807  1.00 58.48 69  A  1 
ATOM   521  N NH1 . ARG    A  1  69  ? -6.773  -2.605  -2.858  1.00 52.47 69  A  1 
ATOM   522  N NH2 . ARG    A  1  69  ? -7.508  -4.526  -3.873  1.00 51.59 69  A  1 
ATOM   523  N N   . LEU    A  1  70  ? -5.218  -4.877  5.271   1.00 84.72 70  A  1 
ATOM   524  C CA  . LEU    A  1  70  ? -4.318  -4.577  6.378   1.00 84.69 70  A  1 
ATOM   525  C C   . LEU    A  1  70  ? -4.222  -5.758  7.333   1.00 84.93 70  A  1 
ATOM   526  O O   . LEU    A  1  70  ? -3.166  -6.024  7.908   1.00 81.35 70  A  1 
ATOM   527  C CB  . LEU    A  1  70  ? -4.808  -3.350  7.142   1.00 82.29 70  A  1 
ATOM   528  C CG  . LEU    A  1  70  ? -4.914  -2.051  6.350   1.00 77.25 70  A  1 
ATOM   529  C CD1 . LEU    A  1  70  ? -5.469  -0.949  7.229   1.00 71.04 70  A  1 
ATOM   530  C CD2 . LEU    A  1  70  ? -3.566  -1.652  5.784   1.00 70.22 70  A  1 
ATOM   531  N N   . ARG    A  1  71  ? -5.313  -6.427  7.482   1.00 84.37 71  A  1 
ATOM   532  C CA  . ARG    A  1  71  ? -5.434  -7.568  8.386   1.00 84.57 71  A  1 
ATOM   533  C C   . ARG    A  1  71  ? -4.324  -8.624  8.225   1.00 84.97 71  A  1 
ATOM   534  O O   . ARG    A  1  71  ? -3.752  -9.064  9.224   1.00 82.73 71  A  1 
ATOM   535  C CB  . ARG    A  1  71  ? -6.809  -8.193  8.169   1.00 82.66 71  A  1 
ATOM   536  C CG  . ARG    A  1  71  ? -7.201  -9.244  9.161   1.00 77.21 71  A  1 
ATOM   537  C CD  . ARG    A  1  71  ? -8.505  -9.890  8.736   1.00 78.40 71  A  1 
ATOM   538  N NE  . ARG    A  1  71  ? -9.539  -8.882  8.472   1.00 76.05 71  A  1 
ATOM   539  C CZ  . ARG    A  1  71  ? -10.234 -8.766  7.338   1.00 76.59 71  A  1 
ATOM   540  N NH1 . ARG    A  1  71  ? -10.035 -9.595  6.321   1.00 67.43 71  A  1 
ATOM   541  N NH2 . ARG    A  1  71  ? -11.144 -7.812  7.221   1.00 70.62 71  A  1 
ATOM   542  N N   . PRO    A  1  72  ? -4.014  -9.027  6.999   1.00 87.16 72  A  1 
ATOM   543  C CA  . PRO    A  1  72  ? -2.982  -10.067 6.843   1.00 87.46 72  A  1 
ATOM   544  C C   . PRO    A  1  72  ? -1.606  -9.674  7.363   1.00 87.87 72  A  1 
ATOM   545  O O   . PRO    A  1  72  ? -0.760  -10.545 7.567   1.00 85.04 72  A  1 
ATOM   546  C CB  . PRO    A  1  72  ? -2.940  -10.289 5.334   1.00 85.48 72  A  1 
ATOM   547  C CG  . PRO    A  1  72  ? -4.291  -9.897  4.869   1.00 83.50 72  A  1 
ATOM   548  C CD  . PRO    A  1  72  ? -4.675  -8.737  5.730   1.00 86.38 72  A  1 
ATOM   549  N N   . LEU    A  1  73  ? -1.392  -8.407  7.593   1.00 87.13 73  A  1 
ATOM   550  C CA  . LEU    A  1  73  ? -0.109  -7.967  8.122   1.00 86.76 73  A  1 
ATOM   551  C C   . LEU    A  1  73  ? 0.137   -8.550  9.510   1.00 86.82 73  A  1 
ATOM   552  O O   . LEU    A  1  73  ? 1.284   -8.703  9.926   1.00 83.54 73  A  1 
ATOM   553  C CB  . LEU    A  1  73  ? -0.054  -6.441  8.189   1.00 85.36 73  A  1 
ATOM   554  C CG  . LEU    A  1  73  ? -0.140  -5.702  6.850   1.00 82.00 73  A  1 
ATOM   555  C CD1 . LEU    A  1  73  ? -0.218  -4.209  7.082   1.00 75.24 73  A  1 
ATOM   556  C CD2 . LEU    A  1  73  ? 1.052   -6.044  5.975   1.00 74.83 73  A  1 
ATOM   557  N N   . SER    A  1  74  ? -0.935  -8.858  10.202  1.00 86.80 74  A  1 
ATOM   558  C CA  . SER    A  1  74  ? -0.819  -9.432  11.538  1.00 86.35 74  A  1 
ATOM   559  C C   . SER    A  1  74  ? -0.567  -10.939 11.507  1.00 87.04 74  A  1 
ATOM   560  O O   . SER    A  1  74  ? -0.262  -11.531 12.539  1.00 84.36 74  A  1 
ATOM   561  C CB  . SER    A  1  74  ? -2.083  -9.157  12.349  1.00 84.33 74  A  1 
ATOM   562  O OG  . SER    A  1  74  ? -2.277  -7.771  12.541  1.00 75.06 74  A  1 
ATOM   563  N N   . TYR    A  1  75  ? -0.694  -11.533 10.348  1.00 87.22 75  A  1 
ATOM   564  C CA  . TYR    A  1  75  ? -0.562  -12.982 10.244  1.00 87.48 75  A  1 
ATOM   565  C C   . TYR    A  1  75  ? 0.885   -13.464 10.236  1.00 87.35 75  A  1 
ATOM   566  O O   . TYR    A  1  75  ? 1.137   -14.647 10.457  1.00 82.95 75  A  1 
ATOM   567  C CB  . TYR    A  1  75  ? -1.245  -13.493 8.977   1.00 86.21 75  A  1 
ATOM   568  C CG  . TYR    A  1  75  ? -2.735  -13.237 8.888   1.00 86.32 75  A  1 
ATOM   569  C CD1 . TYR    A  1  75  ? -3.465  -12.780 9.973   1.00 79.81 75  A  1 
ATOM   570  C CD2 . TYR    A  1  75  ? -3.416  -13.476 7.699   1.00 80.66 75  A  1 
ATOM   571  C CE1 . TYR    A  1  75  ? -4.826  -12.549 9.881   1.00 79.63 75  A  1 
ATOM   572  C CE2 . TYR    A  1  75  ? -4.772  -13.256 7.595   1.00 79.42 75  A  1 
ATOM   573  C CZ  . TYR    A  1  75  ? -5.477  -12.788 8.683   1.00 82.76 75  A  1 
ATOM   574  O OH  . TYR    A  1  75  ? -6.827  -12.558 8.583   1.00 81.22 75  A  1 
ATOM   575  N N   . ARG    A  1  76  ? 1.797   -12.571 9.985   1.00 88.88 76  A  1 
ATOM   576  C CA  . ARG    A  1  76  ? 3.191   -12.972 9.912   1.00 88.50 76  A  1 
ATOM   577  C C   . ARG    A  1  76  ? 3.678   -13.490 11.258  1.00 88.82 76  A  1 
ATOM   578  O O   . ARG    A  1  76  ? 3.525   -12.830 12.281  1.00 85.47 76  A  1 
ATOM   579  C CB  . ARG    A  1  76  ? 4.063   -11.810 9.462   1.00 86.75 76  A  1 
ATOM   580  C CG  . ARG    A  1  76  ? 3.733   -11.319 8.068   1.00 77.74 76  A  1 
ATOM   581  C CD  . ARG    A  1  76  ? 4.739   -10.311 7.580   1.00 74.71 76  A  1 
ATOM   582  N NE  . ARG    A  1  76  ? 4.393   -9.803  6.254   1.00 65.75 76  A  1 
ATOM   583  C CZ  . ARG    A  1  76  ? 5.263   -9.310  5.380   1.00 59.02 76  A  1 
ATOM   584  N NH1 . ARG    A  1  76  ? 6.554   -9.259  5.680   1.00 52.42 76  A  1 
ATOM   585  N NH2 . ARG    A  1  76  ? 4.847   -8.865  4.208   1.00 52.14 76  A  1 
ATOM   586  N N   . GLY    A  1  77  ? 4.258   -14.655 11.225  1.00 88.64 77  A  1 
ATOM   587  C CA  . GLY    A  1  77  ? 4.780   -15.252 12.438  1.00 89.18 77  A  1 
ATOM   588  C C   . GLY    A  1  77  ? 3.735   -15.858 13.355  1.00 90.54 77  A  1 
ATOM   589  O O   . GLY    A  1  77  ? 4.063   -16.282 14.461  1.00 87.33 77  A  1 
ATOM   590  N N   . ALA    A  1  78  ? 2.492   -15.895 12.905  1.00 88.71 78  A  1 
ATOM   591  C CA  . ALA    A  1  78  ? 1.434   -16.451 13.741  1.00 89.32 78  A  1 
ATOM   592  C C   . ALA    A  1  78  ? 1.672   -17.936 14.002  1.00 89.33 78  A  1 
ATOM   593  O O   . ALA    A  1  78  ? 2.035   -18.685 13.093  1.00 86.32 78  A  1 
ATOM   594  C CB  . ALA    A  1  78  ? 0.076   -16.252 13.089  1.00 88.33 78  A  1 
ATOM   595  N N   . ASP    A  1  79  ? 1.467   -18.337 15.242  1.00 90.34 79  A  1 
ATOM   596  C CA  . ASP    A  1  79  ? 1.614   -19.740 15.620  1.00 90.04 79  A  1 
ATOM   597  C C   . ASP    A  1  79  ? 0.263   -20.438 15.678  1.00 90.49 79  A  1 
ATOM   598  O O   . ASP    A  1  79  ? 0.186   -21.655 15.532  1.00 87.69 79  A  1 
ATOM   599  C CB  . ASP    A  1  79  ? 2.301   -19.843 16.980  1.00 88.36 79  A  1 
ATOM   600  C CG  . ASP    A  1  79  ? 3.724   -19.326 16.954  1.00 86.82 79  A  1 
ATOM   601  O OD1 . ASP    A  1  79  ? 4.506   -19.792 16.104  1.00 78.94 79  A  1 
ATOM   602  O OD2 . ASP    A  1  79  ? 4.055   -18.457 17.782  1.00 79.00 79  A  1 
ATOM   603  N N   . ILE    A  1  80  ? -0.768  -19.664 15.911  1.00 91.04 80  A  1 
ATOM   604  C CA  . ILE    A  1  80  ? -2.114  -20.216 16.018  1.00 91.91 80  A  1 
ATOM   605  C C   . ILE    A  1  80  ? -3.132  -19.129 15.699  1.00 91.86 80  A  1 
ATOM   606  O O   . ILE    A  1  80  ? -2.946  -17.966 16.056  1.00 89.41 80  A  1 
ATOM   607  C CB  . ILE    A  1  80  ? -2.355  -20.779 17.445  1.00 90.96 80  A  1 
ATOM   608  C CG1 . ILE    A  1  80  ? -3.725  -21.461 17.550  1.00 82.43 80  A  1 
ATOM   609  C CG2 . ILE    A  1  80  ? -2.245  -19.679 18.497  1.00 82.79 80  A  1 
ATOM   610  C CD1 . ILE    A  1  80  ? -3.747  -22.857 17.030  1.00 79.32 80  A  1 
ATOM   611  N N   . PHE    A  1  81  ? -4.197  -19.523 15.030  1.00 91.36 81  A  1 
ATOM   612  C CA  . PHE    A  1  81  ? -5.297  -18.606 14.754  1.00 91.64 81  A  1 
ATOM   613  C C   . PHE    A  1  81  ? -6.493  -18.989 15.604  1.00 91.80 81  A  1 
ATOM   614  O O   . PHE    A  1  81  ? -6.816  -20.169 15.737  1.00 89.98 81  A  1 
ATOM   615  C CB  . PHE    A  1  81  ? -5.726  -18.666 13.288  1.00 90.93 81  A  1 
ATOM   616  C CG  . PHE    A  1  81  ? -4.797  -17.969 12.342  1.00 90.20 81  A  1 
ATOM   617  C CD1 . PHE    A  1  81  ? -4.649  -16.594 12.390  1.00 85.02 81  A  1 
ATOM   618  C CD2 . PHE    A  1  81  ? -4.092  -18.685 11.387  1.00 84.53 81  A  1 
ATOM   619  C CE1 . PHE    A  1  81  ? -3.802  -15.943 11.508  1.00 83.51 81  A  1 
ATOM   620  C CE2 . PHE    A  1  81  ? -3.247  -18.039 10.503  1.00 82.69 81  A  1 
ATOM   621  C CZ  . PHE    A  1  81  ? -3.100  -16.666 10.563  1.00 86.28 81  A  1 
ATOM   622  N N   . VAL    A  1  82  ? -7.146  -17.988 16.141  1.00 91.13 82  A  1 
ATOM   623  C CA  . VAL    A  1  82  ? -8.415  -18.193 16.825  1.00 91.36 82  A  1 
ATOM   624  C C   . VAL    A  1  82  ? -9.441  -17.599 15.872  1.00 90.98 82  A  1 
ATOM   625  O O   . VAL    A  1  82  ? -9.526  -16.380 15.722  1.00 88.68 82  A  1 
ATOM   626  C CB  . VAL    A  1  82  ? -8.457  -17.487 18.194  1.00 90.36 82  A  1 
ATOM   627  C CG1 . VAL    A  1  82  ? -9.878  -17.478 18.745  1.00 82.38 82  A  1 
ATOM   628  C CG2 . VAL    A  1  82  ? -7.528  -18.193 19.169  1.00 82.62 82  A  1 
ATOM   629  N N   . LEU    A  1  83  ? -10.175 -18.469 15.221  1.00 91.35 83  A  1 
ATOM   630  C CA  . LEU    A  1  83  ? -11.156 -18.041 14.232  1.00 91.81 83  A  1 
ATOM   631  C C   . LEU    A  1  83  ? -12.531 -18.036 14.884  1.00 91.80 83  A  1 
ATOM   632  O O   . LEU    A  1  83  ? -13.065 -19.087 15.236  1.00 89.31 83  A  1 
ATOM   633  C CB  . LEU    A  1  83  ? -11.121 -18.983 13.029  1.00 90.26 83  A  1 
ATOM   634  C CG  . LEU    A  1  83  ? -12.145 -18.788 11.908  1.00 88.29 83  A  1 
ATOM   635  C CD1 . LEU    A  1  83  ? -12.205 -17.348 11.450  1.00 79.88 83  A  1 
ATOM   636  C CD2 . LEU    A  1  83  ? -11.786 -19.700 10.741  1.00 80.91 83  A  1 
ATOM   637  N N   . ALA    A  1  84  ? -13.084 -16.859 15.033  1.00 91.13 84  A  1 
ATOM   638  C CA  . ALA    A  1  84  ? -14.339 -16.708 15.752  1.00 91.41 84  A  1 
ATOM   639  C C   . ALA    A  1  84  ? -15.528 -16.370 14.869  1.00 91.02 84  A  1 
ATOM   640  O O   . ALA    A  1  84  ? -15.402 -15.653 13.876  1.00 87.78 84  A  1 
ATOM   641  C CB  . ALA    A  1  84  ? -14.186 -15.643 16.830  1.00 89.91 84  A  1 
ATOM   642  N N   . PHE    A  1  85  ? -16.663 -16.877 15.258  1.00 90.76 85  A  1 
ATOM   643  C CA  . PHE    A  1  85  ? -17.931 -16.530 14.634  1.00 90.90 85  A  1 
ATOM   644  C C   . PHE    A  1  85  ? -18.943 -16.430 15.769  1.00 90.36 85  A  1 
ATOM   645  O O   . PHE    A  1  85  ? -18.733 -16.985 16.850  1.00 87.81 85  A  1 
ATOM   646  C CB  . PHE    A  1  85  ? -18.373 -17.579 13.603  1.00 90.38 85  A  1 
ATOM   647  C CG  . PHE    A  1  85  ? -18.798 -18.896 14.195  1.00 91.05 85  A  1 
ATOM   648  C CD1 . PHE    A  1  85  ? -17.867 -19.905 14.402  1.00 84.84 85  A  1 
ATOM   649  C CD2 . PHE    A  1  85  ? -20.123 -19.130 14.527  1.00 84.82 85  A  1 
ATOM   650  C CE1 . PHE    A  1  85  ? -18.253 -21.121 14.945  1.00 85.17 85  A  1 
ATOM   651  C CE2 . PHE    A  1  85  ? -20.517 -20.344 15.071  1.00 84.35 85  A  1 
ATOM   652  C CZ  . PHE    A  1  85  ? -19.580 -21.340 15.281  1.00 88.20 85  A  1 
ATOM   653  N N   . SER    A  1  86  ? -20.029 -15.735 15.517  1.00 91.68 86  A  1 
ATOM   654  C CA  . SER    A  1  86  ? -21.048 -15.586 16.547  1.00 91.29 86  A  1 
ATOM   655  C C   . SER    A  1  86  ? -22.103 -16.676 16.423  1.00 91.27 86  A  1 
ATOM   656  O O   . SER    A  1  86  ? -22.612 -16.937 15.334  1.00 89.14 86  A  1 
ATOM   657  C CB  . SER    A  1  86  ? -21.712 -14.218 16.446  1.00 89.67 86  A  1 
ATOM   658  O OG  . SER    A  1  86  ? -22.820 -14.130 17.321  1.00 79.98 86  A  1 
ATOM   659  N N   . LEU    A  1  87  ? -22.430 -17.272 17.537  1.00 90.63 87  A  1 
ATOM   660  C CA  . LEU    A  1  87  ? -23.438 -18.324 17.561  1.00 90.89 87  A  1 
ATOM   661  C C   . LEU    A  1  87  ? -24.833 -17.800 17.239  1.00 90.11 87  A  1 
ATOM   662  O O   . LEU    A  1  87  ? -25.746 -18.588 17.008  1.00 87.18 87  A  1 
ATOM   663  C CB  . LEU    A  1  87  ? -23.438 -19.011 18.926  1.00 90.40 87  A  1 
ATOM   664  C CG  . LEU    A  1  87  ? -22.182 -19.829 19.230  1.00 89.72 87  A  1 
ATOM   665  C CD1 . LEU    A  1  87  ? -22.106 -20.171 20.712  1.00 84.31 87  A  1 
ATOM   666  C CD2 . LEU    A  1  87  ? -22.170 -21.102 18.396  1.00 84.80 87  A  1 
ATOM   667  N N   . ILE    A  1  88  ? -24.981 -16.503 17.219  1.00 89.81 88  A  1 
ATOM   668  C CA  . ILE    A  1  88  ? -26.272 -15.906 16.890  1.00 88.97 88  A  1 
ATOM   669  C C   . ILE    A  1  88  ? -26.245 -15.203 15.538  1.00 88.91 88  A  1 
ATOM   670  O O   . ILE    A  1  88  ? -27.160 -14.442 15.212  1.00 84.55 88  A  1 
ATOM   671  C CB  . ILE    A  1  88  ? -26.736 -14.921 17.984  1.00 86.73 88  A  1 
ATOM   672  C CG1 . ILE    A  1  88  ? -25.781 -13.735 18.083  1.00 78.07 88  A  1 
ATOM   673  C CG2 . ILE    A  1  88  ? -26.856 -15.639 19.318  1.00 74.32 88  A  1 
ATOM   674  C CD1 . ILE    A  1  88  ? -26.297 -12.598 18.940  1.00 70.96 88  A  1 
ATOM   675  N N   . SER    A  1  89  ? -25.213 -15.455 14.769  1.00 89.07 89  A  1 
ATOM   676  C CA  . SER    A  1  89  ? -25.092 -14.835 13.456  1.00 88.91 89  A  1 
ATOM   677  C C   . SER    A  1  89  ? -24.769 -15.874 12.390  1.00 89.57 89  A  1 
ATOM   678  O O   . SER    A  1  89  ? -23.636 -16.339 12.288  1.00 87.85 89  A  1 
ATOM   679  C CB  . SER    A  1  89  ? -24.016 -13.759 13.462  1.00 87.21 89  A  1 
ATOM   680  O OG  . SER    A  1  89  ? -23.797 -13.258 12.153  1.00 81.09 89  A  1 
ATOM   681  N N   . LYS    A  1  90  ? -25.773 -16.198 11.596  1.00 90.10 90  A  1 
ATOM   682  C CA  . LYS    A  1  90  ? -25.585 -17.154 10.515  1.00 90.46 90  A  1 
ATOM   683  C C   . LYS    A  1  90  ? -24.561 -16.633 9.513   1.00 91.20 90  A  1 
ATOM   684  O O   . LYS    A  1  90  ? -23.778 -17.401 8.957   1.00 89.00 90  A  1 
ATOM   685  C CB  . LYS    A  1  90  ? -26.920 -17.416 9.820   1.00 88.93 90  A  1 
ATOM   686  C CG  . LYS    A  1  90  ? -26.858 -18.404 8.664   1.00 80.39 90  A  1 
ATOM   687  C CD  . LYS    A  1  90  ? -26.481 -19.796 9.128   1.00 74.05 90  A  1 
ATOM   688  C CE  . LYS    A  1  90  ? -26.543 -20.783 7.973   1.00 65.80 90  A  1 
ATOM   689  N NZ  . LYS    A  1  90  ? -26.151 -22.156 8.385   1.00 57.51 90  A  1 
ATOM   690  N N   . ALA    A  1  91  ? -24.578 -15.343 9.296   1.00 90.67 91  A  1 
ATOM   691  C CA  . ALA    A  1  91  ? -23.641 -14.742 8.353   1.00 90.54 91  A  1 
ATOM   692  C C   . ALA    A  1  91  ? -22.194 -14.952 8.789   1.00 90.92 91  A  1 
ATOM   693  O O   . ALA    A  1  91  ? -21.335 -15.292 7.972   1.00 88.27 91  A  1 
ATOM   694  C CB  . ALA    A  1  91  ? -23.931 -13.257 8.202   1.00 88.85 91  A  1 
ATOM   695  N N   . SER    A  1  92  ? -21.927 -14.747 10.066  1.00 89.96 92  A  1 
ATOM   696  C CA  . SER    A  1  92  ? -20.563 -14.924 10.560  1.00 89.56 92  A  1 
ATOM   697  C C   . SER    A  1  92  ? -20.135 -16.385 10.448  1.00 89.97 92  A  1 
ATOM   698  O O   . SER    A  1  92  ? -18.968 -16.678 10.184  1.00 87.19 92  A  1 
ATOM   699  C CB  . SER    A  1  92  ? -20.444 -14.437 12.009  1.00 88.25 92  A  1 
ATOM   700  O OG  . SER    A  1  92  ? -21.138 -15.276 12.902  1.00 81.15 92  A  1 
ATOM   701  N N   . TYR    A  1  93  ? -21.077 -17.269 10.649  1.00 90.23 93  A  1 
ATOM   702  C CA  . TYR    A  1  93  ? -20.810 -18.700 10.531  1.00 91.44 93  A  1 
ATOM   703  C C   . TYR    A  1  93  ? -20.458 -19.061 9.086   1.00 91.55 93  A  1 
ATOM   704  O O   . TYR    A  1  93  ? -19.482 -19.762 8.828   1.00 89.61 93  A  1 
ATOM   705  C CB  . TYR    A  1  93  ? -22.037 -19.481 11.004  1.00 91.23 93  A  1 
ATOM   706  C CG  . TYR    A  1  93  ? -21.962 -20.979 10.816  1.00 91.69 93  A  1 
ATOM   707  C CD1 . TYR    A  1  93  ? -22.404 -21.569 9.643   1.00 85.36 93  A  1 
ATOM   708  C CD2 . TYR    A  1  93  ? -21.477 -21.802 11.825  1.00 86.23 93  A  1 
ATOM   709  C CE1 . TYR    A  1  93  ? -22.355 -22.944 9.472   1.00 85.50 93  A  1 
ATOM   710  C CE2 . TYR    A  1  93  ? -21.427 -23.177 11.667  1.00 85.10 93  A  1 
ATOM   711  C CZ  . TYR    A  1  93  ? -21.863 -23.744 10.486  1.00 88.97 93  A  1 
ATOM   712  O OH  . TYR    A  1  93  ? -21.818 -25.105 10.317  1.00 87.78 93  A  1 
ATOM   713  N N   . GLU    A  1  94  ? -21.259 -18.571 8.171   1.00 91.84 94  A  1 
ATOM   714  C CA  . GLU    A  1  94  ? -21.019 -18.855 6.757   1.00 91.84 94  A  1 
ATOM   715  C C   . GLU    A  1  94  ? -19.714 -18.247 6.258   1.00 91.71 94  A  1 
ATOM   716  O O   . GLU    A  1  94  ? -19.037 -18.827 5.407   1.00 89.30 94  A  1 
ATOM   717  C CB  . GLU    A  1  94  ? -22.187 -18.343 5.919   1.00 90.57 94  A  1 
ATOM   718  C CG  . GLU    A  1  94  ? -23.482 -19.100 6.156   1.00 85.51 94  A  1 
ATOM   719  C CD  . GLU    A  1  94  ? -24.657 -18.513 5.391   1.00 81.73 94  A  1 
ATOM   720  O OE1 . GLU    A  1  94  ? -24.522 -17.393 4.861   1.00 74.35 94  A  1 
ATOM   721  O OE2 . GLU    A  1  94  ? -25.712 -19.172 5.328   1.00 74.30 94  A  1 
ATOM   722  N N   . ASN    A  1  95  ? -19.374 -17.103 6.792   1.00 90.33 95  A  1 
ATOM   723  C CA  . ASN    A  1  95  ? -18.152 -16.439 6.354   1.00 89.97 95  A  1 
ATOM   724  C C   . ASN    A  1  95  ? -16.883 -17.165 6.790   1.00 90.21 95  A  1 
ATOM   725  O O   . ASN    A  1  95  ? -15.806 -16.863 6.282   1.00 87.65 95  A  1 
ATOM   726  C CB  . ASN    A  1  95  ? -18.122 -14.990 6.837   1.00 88.67 95  A  1 
ATOM   727  C CG  . ASN    A  1  95  ? -18.957 -14.073 5.962   1.00 86.63 95  A  1 
ATOM   728  O OD1 . ASN    A  1  95  ? -19.207 -14.369 4.797   1.00 77.77 95  A  1 
ATOM   729  N ND2 . ASN    A  1  95  ? -19.384 -12.948 6.514   1.00 77.87 95  A  1 
ATOM   730  N N   . VAL    A  1  96  ? -17.007 -18.088 7.700   1.00 90.92 96  A  1 
ATOM   731  C CA  . VAL    A  1  96  ? -15.835 -18.864 8.093   1.00 90.90 96  A  1 
ATOM   732  C C   . VAL    A  1  96  ? -15.295 -19.598 6.863   1.00 90.93 96  A  1 
ATOM   733  O O   . VAL    A  1  96  ? -14.088 -19.602 6.611   1.00 88.84 96  A  1 
ATOM   734  C CB  . VAL    A  1  96  ? -16.177 -19.863 9.209   1.00 90.25 96  A  1 
ATOM   735  C CG1 . VAL    A  1  96  ? -15.030 -20.844 9.419   1.00 81.03 96  A  1 
ATOM   736  C CG2 . VAL    A  1  96  ? -16.475 -19.123 10.503  1.00 82.73 96  A  1 
ATOM   737  N N   . LEU    A  1  97  ? -16.189 -20.190 6.100   1.00 91.55 97  A  1 
ATOM   738  C CA  . LEU    A  1  97  ? -15.790 -20.903 4.888   1.00 91.58 97  A  1 
ATOM   739  C C   . LEU    A  1  97  ? -15.639 -19.980 3.685   1.00 91.59 97  A  1 
ATOM   740  O O   . LEU    A  1  97  ? -14.719 -20.144 2.883   1.00 88.90 97  A  1 
ATOM   741  C CB  . LEU    A  1  97  ? -16.807 -21.991 4.546   1.00 89.74 97  A  1 
ATOM   742  C CG  . LEU    A  1  97  ? -16.766 -23.263 5.383   1.00 82.32 97  A  1 
ATOM   743  C CD1 . LEU    A  1  97  ? -17.984 -24.115 5.084   1.00 75.54 97  A  1 
ATOM   744  C CD2 . LEU    A  1  97  ? -15.488 -24.041 5.096   1.00 75.34 97  A  1 
ATOM   745  N N   . LYS    A  1  98  ? -16.546 -19.043 3.564   1.00 92.13 98  A  1 
ATOM   746  C CA  . LYS    A  1  98  ? -16.581 -18.182 2.388   1.00 92.06 98  A  1 
ATOM   747  C C   . LYS    A  1  98  ? -15.526 -17.084 2.385   1.00 91.85 98  A  1 
ATOM   748  O O   . LYS    A  1  98  ? -15.061 -16.676 1.321   1.00 89.10 98  A  1 
ATOM   749  C CB  . LYS    A  1  98  ? -17.973 -17.566 2.255   1.00 90.80 98  A  1 
ATOM   750  C CG  . LYS    A  1  98  ? -19.080 -18.596 2.084   1.00 81.68 98  A  1 
ATOM   751  C CD  . LYS    A  1  98  ? -20.460 -18.015 2.339   1.00 77.29 98  A  1 
ATOM   752  C CE  . LYS    A  1  98  ? -20.954 -17.184 1.193   1.00 66.42 98  A  1 
ATOM   753  N NZ  . LYS    A  1  98  ? -22.366 -16.743 1.412   1.00 58.67 98  A  1 
ATOM   754  N N   . LYS    A  1  99  ? -15.155 -16.625 3.553   1.00 91.23 99  A  1 
ATOM   755  C CA  . LYS    A  1  99  ? -14.245 -15.490 3.646   1.00 90.93 99  A  1 
ATOM   756  C C   . LYS    A  1  99  ? -12.948 -15.798 4.385   1.00 91.10 99  A  1 
ATOM   757  O O   . LYS    A  1  99  ? -11.859 -15.564 3.858   1.00 89.02 99  A  1 
ATOM   758  C CB  . LYS    A  1  99  ? -14.961 -14.327 4.328   1.00 88.87 99  A  1 
ATOM   759  C CG  . LYS    A  1  99  ? -14.105 -13.107 4.599   1.00 81.34 99  A  1 
ATOM   760  C CD  . LYS    A  1  99  ? -14.923 -12.036 5.294   1.00 79.13 99  A  1 
ATOM   761  C CE  . LYS    A  1  99  ? -14.077 -10.836 5.659   1.00 71.21 99  A  1 
ATOM   762  N NZ  . LYS    A  1  99  ? -14.878 -9.791  6.360   1.00 65.65 99  A  1 
ATOM   763  N N   . TRP    A  1  100 ? -13.071 -16.298 5.599   1.00 91.56 100 A  1 
ATOM   764  C CA  . TRP    A  1  100 ? -11.888 -16.469 6.433   1.00 91.41 100 A  1 
ATOM   765  C C   . TRP    A  1  100 ? -10.957 -17.598 6.028   1.00 91.38 100 A  1 
ATOM   766  O O   . TRP    A  1  100 ? -9.740  -17.410 6.007   1.00 88.47 100 A  1 
ATOM   767  C CB  . TRP    A  1  100 ? -12.300 -16.601 7.896   1.00 90.77 100 A  1 
ATOM   768  C CG  . TRP    A  1  100 ? -12.983 -15.361 8.342   1.00 89.94 100 A  1 
ATOM   769  C CD1 . TRP    A  1  100 ? -14.317 -15.187 8.564   1.00 83.41 100 A  1 
ATOM   770  C CD2 . TRP    A  1  100 ? -12.374 -14.081 8.524   1.00 87.49 100 A  1 
ATOM   771  N NE1 . TRP    A  1  100 ? -14.572 -13.879 8.891   1.00 84.86 100 A  1 
ATOM   772  C CE2 . TRP    A  1  100 ? -13.397 -13.176 8.870   1.00 85.96 100 A  1 
ATOM   773  C CE3 . TRP    A  1  100 ? -11.062 -13.610 8.433   1.00 84.27 100 A  1 
ATOM   774  C CZ2 . TRP    A  1  100 ? -13.146 -11.829 9.126   1.00 86.10 100 A  1 
ATOM   775  C CZ3 . TRP    A  1  100 ? -10.817 -12.274 8.688   1.00 79.65 100 A  1 
ATOM   776  C CH2 . TRP    A  1  100 ? -11.855 -11.398 9.031   1.00 81.73 100 A  1 
ATOM   777  N N   . MET    A  1  101 ? -11.496 -18.726 5.698   1.00 91.62 101 A  1 
ATOM   778  C CA  . MET    A  1  101 ? -10.626 -19.828 5.314   1.00 91.74 101 A  1 
ATOM   779  C C   . MET    A  1  101 ? -9.824  -19.526 4.044   1.00 91.37 101 A  1 
ATOM   780  O O   . MET    A  1  101 ? -8.630  -19.815 4.000   1.00 88.79 101 A  1 
ATOM   781  C CB  . MET    A  1  101 ? -11.412 -21.128 5.176   1.00 90.96 101 A  1 
ATOM   782  C CG  . MET    A  1  101 ? -11.882 -21.692 6.511   1.00 85.46 101 A  1 
ATOM   783  S SD  . MET    A  1  101 ? -10.554 -21.897 7.720   1.00 84.88 101 A  1 
ATOM   784  C CE  . MET    A  1  101 ? -9.489  -23.053 6.876   1.00 76.75 101 A  1 
ATOM   785  N N   . PRO    A  1  102 ? -10.457 -18.954 3.034   1.00 90.77 102 A  1 
ATOM   786  C CA  . PRO    A  1  102 ? -9.651  -18.605 1.853   1.00 90.50 102 A  1 
ATOM   787  C C   . PRO    A  1  102 ? -8.538  -17.617 2.190   1.00 90.41 102 A  1 
ATOM   788  O O   . PRO    A  1  102 ? -7.422  -17.737 1.675   1.00 88.10 102 A  1 
ATOM   789  C CB  . PRO    A  1  102 ? -10.678 -17.987 0.901   1.00 89.18 102 A  1 
ATOM   790  C CG  . PRO    A  1  102 ? -11.956 -18.643 1.279   1.00 87.18 102 A  1 
ATOM   791  C CD  . PRO    A  1  102 ? -11.889 -18.813 2.771   1.00 90.20 102 A  1 
ATOM   792  N N   . GLU    A  1  103 ? -8.828  -16.674 3.049   1.00 90.17 103 A  1 
ATOM   793  C CA  . GLU    A  1  103 ? -7.820  -15.692 3.432   1.00 89.73 103 A  1 
ATOM   794  C C   . GLU    A  1  103 ? -6.687  -16.340 4.227   1.00 89.67 103 A  1 
ATOM   795  O O   . GLU    A  1  103 ? -5.509  -16.093 3.959   1.00 87.23 103 A  1 
ATOM   796  C CB  . GLU    A  1  103 ? -8.451  -14.562 4.239   1.00 88.09 103 A  1 
ATOM   797  C CG  . GLU    A  1  103 ? -7.460  -13.504 4.689   1.00 83.38 103 A  1 
ATOM   798  C CD  . GLU    A  1  103 ? -8.132  -12.278 5.275   1.00 82.29 103 A  1 
ATOM   799  O OE1 . GLU    A  1  103 ? -8.969  -11.673 4.582   1.00 76.99 103 A  1 
ATOM   800  O OE2 . GLU    A  1  103 ? -7.826  -11.924 6.426   1.00 77.02 103 A  1 
ATOM   801  N N   . LEU    A  1  104 ? -7.043  -17.153 5.189   1.00 89.49 104 A  1 
ATOM   802  C CA  . LEU    A  1  104 ? -6.023  -17.807 6.000   1.00 89.50 104 A  1 
ATOM   803  C C   . LEU    A  1  104 ? -5.193  -18.783 5.171   1.00 88.87 104 A  1 
ATOM   804  O O   . LEU    A  1  104 ? -3.986  -18.890 5.371   1.00 85.34 104 A  1 
ATOM   805  C CB  . LEU    A  1  104 ? -6.656  -18.529 7.187   1.00 88.41 104 A  1 
ATOM   806  C CG  . LEU    A  1  104 ? -7.352  -17.634 8.215   1.00 86.93 104 A  1 
ATOM   807  C CD1 . LEU    A  1  104 ? -7.980  -18.483 9.306   1.00 79.83 104 A  1 
ATOM   808  C CD2 . LEU    A  1  104 ? -6.380  -16.633 8.819   1.00 80.61 104 A  1 
ATOM   809  N N   . ARG    A  1  105 ? -5.833  -19.468 4.258   1.00 90.36 105 A  1 
ATOM   810  C CA  . ARG    A  1  105 ? -5.100  -20.395 3.402   1.00 89.65 105 A  1 
ATOM   811  C C   . ARG    A  1  105 ? -4.122  -19.652 2.499   1.00 89.71 105 A  1 
ATOM   812  O O   . ARG    A  1  105 ? -3.049  -20.158 2.188   1.00 86.14 105 A  1 
ATOM   813  C CB  . ARG    A  1  105 ? -6.056  -21.230 2.550   1.00 88.16 105 A  1 
ATOM   814  C CG  . ARG    A  1  105 ? -6.767  -22.342 3.303   1.00 81.27 105 A  1 
ATOM   815  C CD  . ARG    A  1  105 ? -7.404  -23.334 2.342   1.00 76.38 105 A  1 
ATOM   816  N NE  . ARG    A  1  105 ? -8.486  -22.717 1.564   1.00 68.30 105 A  1 
ATOM   817  C CZ  . ARG    A  1  105 ? -9.769  -22.726 1.909   1.00 61.88 105 A  1 
ATOM   818  N NH1 . ARG    A  1  105 ? -10.161 -23.327 3.031   1.00 54.34 105 A  1 
ATOM   819  N NH2 . ARG    A  1  105 ? -10.675 -22.136 1.140   1.00 55.17 105 A  1 
ATOM   820  N N   . ARG    A  1  106 ? -4.514  -18.486 2.102   1.00 89.81 106 A  1 
ATOM   821  C CA  . ARG    A  1  106 ? -3.645  -17.713 1.226   1.00 89.58 106 A  1 
ATOM   822  C C   . ARG    A  1  106 ? -2.413  -17.187 1.950   1.00 89.53 106 A  1 
ATOM   823  O O   . ARG    A  1  106 ? -1.297  -17.287 1.439   1.00 86.71 106 A  1 
ATOM   824  C CB  . ARG    A  1  106 ? -4.403  -16.540 0.614   1.00 87.63 106 A  1 
ATOM   825  C CG  . ARG    A  1  106 ? -3.530  -15.692 -0.295  1.00 80.10 106 A  1 
ATOM   826  C CD  . ARG    A  1  106 ? -4.282  -14.526 -0.888  1.00 77.69 106 A  1 
ATOM   827  N NE  . ARG    A  1  106 ? -3.391  -13.695 -1.697  1.00 69.88 106 A  1 
ATOM   828  C CZ  . ARG    A  1  106 ? -3.752  -12.571 -2.309  1.00 64.96 106 A  1 
ATOM   829  N NH1 . ARG    A  1  106 ? -5.000  -12.130 -2.218  1.00 59.07 106 A  1 
ATOM   830  N NH2 . ARG    A  1  106 ? -2.871  -11.888 -3.011  1.00 57.68 106 A  1 
ATOM   831  N N   . PHE    A  1  107 ? -2.619  -16.626 3.117   1.00 88.78 107 A  1 
ATOM   832  C CA  . PHE    A  1  107 ? -1.517  -15.976 3.820   1.00 87.95 107 A  1 
ATOM   833  C C   . PHE    A  1  107 ? -0.816  -16.816 4.883   1.00 87.56 107 A  1 
ATOM   834  O O   . PHE    A  1  107 ? 0.327   -16.521 5.236   1.00 82.30 107 A  1 
ATOM   835  C CB  . PHE    A  1  107 ? -2.012  -14.674 4.441   1.00 86.39 107 A  1 
ATOM   836  C CG  . PHE    A  1  107 ? -2.469  -13.663 3.431   1.00 85.25 107 A  1 
ATOM   837  C CD1 . PHE    A  1  107 ? -1.548  -12.914 2.718   1.00 78.07 107 A  1 
ATOM   838  C CD2 . PHE    A  1  107 ? -3.818  -13.464 3.184   1.00 77.94 107 A  1 
ATOM   839  C CE1 . PHE    A  1  107 ? -1.966  -11.988 1.776   1.00 76.09 107 A  1 
ATOM   840  C CE2 . PHE    A  1  107 ? -4.241  -12.538 2.241   1.00 75.36 107 A  1 
ATOM   841  C CZ  . PHE    A  1  107 ? -3.310  -11.797 1.537   1.00 76.88 107 A  1 
ATOM   842  N N   . ALA    A  1  108 ? -1.490  -17.821 5.389   1.00 88.70 108 A  1 
ATOM   843  C CA  . ALA    A  1  108 ? -0.908  -18.651 6.438   1.00 88.63 108 A  1 
ATOM   844  C C   . ALA    A  1  108 ? -1.535  -20.045 6.413   1.00 88.86 108 A  1 
ATOM   845  O O   . ALA    A  1  108 ? -2.190  -20.466 7.369   1.00 84.90 108 A  1 
ATOM   846  C CB  . ALA    A  1  108 ? -1.114  -17.993 7.798   1.00 86.74 108 A  1 
ATOM   847  N N   . PRO    A  1  109 ? -1.344  -20.757 5.323   1.00 88.59 109 A  1 
ATOM   848  C CA  . PRO    A  1  109 ? -1.992  -22.060 5.132   1.00 87.26 109 A  1 
ATOM   849  C C   . PRO    A  1  109 ? -1.619  -23.160 6.119   1.00 86.39 109 A  1 
ATOM   850  O O   . PRO    A  1  109 ? -2.410  -24.080 6.324   1.00 79.62 109 A  1 
ATOM   851  C CB  . PRO    A  1  109 ? -1.566  -22.442 3.711   1.00 85.05 109 A  1 
ATOM   852  C CG  . PRO    A  1  109 ? -0.267  -21.747 3.519   1.00 82.27 109 A  1 
ATOM   853  C CD  . PRO    A  1  109 ? -0.434  -20.432 4.223   1.00 85.66 109 A  1 
ATOM   854  N N   . ASN    A  1  110 ? -0.445  -23.081 6.707   1.00 88.01 110 A  1 
ATOM   855  C CA  . ASN    A  1  110 ? -0.000  -24.154 7.590   1.00 87.77 110 A  1 
ATOM   856  C C   . ASN    A  1  110 ? -0.137  -23.859 9.079   1.00 88.25 110 A  1 
ATOM   857  O O   . ASN    A  1  110 ? 0.334   -24.632 9.905   1.00 83.88 110 A  1 
ATOM   858  C CB  . ASN    A  1  110 ? 1.446   -24.518 7.263   1.00 84.77 110 A  1 
ATOM   859  C CG  . ASN    A  1  110 ? 1.598   -25.038 5.850   1.00 78.95 110 A  1 
ATOM   860  O OD1 . ASN    A  1  110 ? 0.762   -25.799 5.363   1.00 69.15 110 A  1 
ATOM   861  N ND2 . ASN    A  1  110 ? 2.662   -24.621 5.179   1.00 69.01 110 A  1 
ATOM   862  N N   . VAL    A  1  111 ? -0.773  -22.763 9.399   1.00 89.24 111 A  1 
ATOM   863  C CA  . VAL    A  1  111 ? -0.957  -22.412 10.803  1.00 89.87 111 A  1 
ATOM   864  C C   . VAL    A  1  111 ? -2.260  -23.036 11.302  1.00 90.44 111 A  1 
ATOM   865  O O   . VAL    A  1  111 ? -3.298  -22.886 10.663  1.00 88.08 111 A  1 
ATOM   866  C CB  . VAL    A  1  111 ? -0.995  -20.885 10.983  1.00 88.63 111 A  1 
ATOM   867  C CG1 . VAL    A  1  111 ? -1.260  -20.522 12.435  1.00 80.44 111 A  1 
ATOM   868  C CG2 . VAL    A  1  111 ? 0.315   -20.276 10.510  1.00 81.19 111 A  1 
ATOM   869  N N   . PRO    A  1  112 ? -2.204  -23.726 12.433  1.00 90.50 112 A  1 
ATOM   870  C CA  . PRO    A  1  112 ? -3.425  -24.360 12.948  1.00 90.91 112 A  1 
ATOM   871  C C   . PRO    A  1  112 ? -4.475  -23.340 13.375  1.00 91.37 112 A  1 
ATOM   872  O O   . PRO    A  1  112 ? -4.166  -22.178 13.638  1.00 88.83 112 A  1 
ATOM   873  C CB  . PRO    A  1  112 ? -2.921  -25.180 14.141  1.00 88.98 112 A  1 
ATOM   874  C CG  . PRO    A  1  112 ? -1.669  -24.497 14.558  1.00 85.54 112 A  1 
ATOM   875  C CD  . PRO    A  1  112 ? -1.042  -23.999 13.288  1.00 88.43 112 A  1 
ATOM   876  N N   . ILE    A  1  113 ? -5.704  -23.815 13.444  1.00 90.82 113 A  1 
ATOM   877  C CA  . ILE    A  1  113 ? -6.840  -22.952 13.753  1.00 91.48 113 A  1 
ATOM   878  C C   . ILE    A  1  113 ? -7.681  -23.531 14.879  1.00 91.68 113 A  1 
ATOM   879  O O   . ILE    A  1  113 ? -7.941  -24.734 14.914  1.00 89.25 113 A  1 
ATOM   880  C CB  . ILE    A  1  113 ? -7.741  -22.777 12.517  1.00 90.11 113 A  1 
ATOM   881  C CG1 . ILE    A  1  113 ? -6.963  -22.124 11.372  1.00 82.43 113 A  1 
ATOM   882  C CG2 . ILE    A  1  113 ? -8.988  -21.970 12.857  1.00 82.25 113 A  1 
ATOM   883  C CD1 . ILE    A  1  113 ? -7.658  -22.217 10.033  1.00 79.18 113 A  1 
ATOM   884  N N   . VAL    A  1  114 ? -8.102  -22.662 15.767  1.00 91.73 114 A  1 
ATOM   885  C CA  . VAL    A  1  114 ? -9.059  -23.028 16.804  1.00 91.96 114 A  1 
ATOM   886  C C   . VAL    A  1  114 ? -10.336 -22.277 16.464  1.00 91.88 114 A  1 
ATOM   887  O O   . VAL    A  1  114 ? -10.357 -21.045 16.468  1.00 89.57 114 A  1 
ATOM   888  C CB  . VAL    A  1  114 ? -8.571  -22.634 18.212  1.00 90.93 114 A  1 
ATOM   889  C CG1 . VAL    A  1  114 ? -9.685  -22.847 19.233  1.00 81.22 114 A  1 
ATOM   890  C CG2 . VAL    A  1  114 ? -7.350  -23.454 18.594  1.00 81.93 114 A  1 
ATOM   891  N N   . LEU    A  1  115 ? -11.379 -23.023 16.165  1.00 91.83 115 A  1 
ATOM   892  C CA  . LEU    A  1  115 ? -12.657 -22.416 15.817  1.00 92.45 115 A  1 
ATOM   893  C C   . LEU    A  1  115 ? -13.423 -22.098 17.095  1.00 92.52 115 A  1 
ATOM   894  O O   . LEU    A  1  115 ? -13.531 -22.939 17.986  1.00 90.43 115 A  1 
ATOM   895  C CB  . LEU    A  1  115 ? -13.468 -23.370 14.942  1.00 91.65 115 A  1 
ATOM   896  C CG  . LEU    A  1  115 ? -14.827 -22.870 14.449  1.00 89.77 115 A  1 
ATOM   897  C CD1 . LEU    A  1  115 ? -14.654 -21.693 13.504  1.00 82.24 115 A  1 
ATOM   898  C CD2 . LEU    A  1  115 ? -15.568 -24.001 13.751  1.00 82.90 115 A  1 
ATOM   899  N N   . VAL    A  1  116 ? -13.948 -20.895 17.167  1.00 92.03 116 A  1 
ATOM   900  C CA  . VAL    A  1  116 ? -14.656 -20.464 18.371  1.00 92.02 116 A  1 
ATOM   901  C C   . VAL    A  1  116 ? -16.012 -19.867 18.039  1.00 91.64 116 A  1 
ATOM   902  O O   . VAL    A  1  116 ? -16.129 -19.006 17.169  1.00 88.77 116 A  1 
ATOM   903  C CB  . VAL    A  1  116 ? -13.830 -19.424 19.152  1.00 90.43 116 A  1 
ATOM   904  C CG1 . VAL    A  1  116 ? -14.597 -18.946 20.377  1.00 79.35 116 A  1 
ATOM   905  C CG2 . VAL    A  1  116 ? -12.492 -20.010 19.561  1.00 80.75 116 A  1 
ATOM   906  N N   . GLY    A  1  117 ? -17.026 -20.319 18.759  1.00 91.70 117 A  1 
ATOM   907  C CA  . GLY    A  1  117 ? -18.358 -19.762 18.622  1.00 91.50 117 A  1 
ATOM   908  C C   . GLY    A  1  117 ? -18.581 -18.846 19.810  1.00 91.58 117 A  1 
ATOM   909  O O   . GLY    A  1  117 ? -18.530 -19.296 20.951  1.00 88.51 117 A  1 
ATOM   910  N N   . THR    A  1  118 ? -18.816 -17.584 19.542  1.00 90.84 118 A  1 
ATOM   911  C CA  . THR    A  1  118 ? -18.976 -16.608 20.617  1.00 90.30 118 A  1 
ATOM   912  C C   . THR    A  1  118 ? -20.438 -16.304 20.927  1.00 89.89 118 A  1 
ATOM   913  O O   . THR    A  1  118 ? -21.346 -16.743 20.223  1.00 86.61 118 A  1 
ATOM   914  C CB  . THR    A  1  118 ? -18.257 -15.299 20.270  1.00 88.71 118 A  1 
ATOM   915  O OG1 . THR    A  1  118 ? -18.866 -14.729 19.110  1.00 77.81 118 A  1 
ATOM   916  C CG2 . THR    A  1  118 ? -16.782 -15.539 20.007  1.00 77.54 118 A  1 
ATOM   917  N N   . LYS    A  1  119 ? -20.631 -15.544 21.984  1.00 88.77 119 A  1 
ATOM   918  C CA  . LYS    A  1  119 ? -21.961 -15.132 22.435  1.00 88.46 119 A  1 
ATOM   919  C C   . LYS    A  1  119 ? -22.836 -16.327 22.819  1.00 88.77 119 A  1 
ATOM   920  O O   . LYS    A  1  119 ? -24.040 -16.361 22.537  1.00 84.13 119 A  1 
ATOM   921  C CB  . LYS    A  1  119 ? -22.645 -14.264 21.376  1.00 85.90 119 A  1 
ATOM   922  C CG  . LYS    A  1  119 ? -21.840 -13.016 21.027  1.00 84.62 119 A  1 
ATOM   923  C CD  . LYS    A  1  119 ? -22.579 -12.100 20.070  1.00 79.74 119 A  1 
ATOM   924  C CE  . LYS    A  1  119 ? -21.735 -10.877 19.741  1.00 77.59 119 A  1 
ATOM   925  N NZ  . LYS    A  1  119 ? -22.418 -9.957  18.796  1.00 69.46 119 A  1 
ATOM   926  N N   . LEU    A  1  120 ? -22.216 -17.276 23.447  1.00 89.99 120 A  1 
ATOM   927  C CA  . LEU    A  1  120 ? -22.926 -18.466 23.902  1.00 90.34 120 A  1 
ATOM   928  C C   . LEU    A  1  120 ? -24.073 -18.107 24.839  1.00 89.67 120 A  1 
ATOM   929  O O   . LEU    A  1  120 ? -25.116 -18.759 24.824  1.00 86.53 120 A  1 
ATOM   930  C CB  . LEU    A  1  120 ? -21.949 -19.411 24.610  1.00 89.56 120 A  1 
ATOM   931  C CG  . LEU    A  1  120 ? -22.526 -20.686 25.227  1.00 87.75 120 A  1 
ATOM   932  C CD1 . LEU    A  1  120 ? -23.190 -21.540 24.162  1.00 79.35 120 A  1 
ATOM   933  C CD2 . LEU    A  1  120 ? -21.420 -21.470 25.919  1.00 79.87 120 A  1 
ATOM   934  N N   . ASP    A  1  121 ? -23.887 -17.088 25.630  1.00 89.24 121 A  1 
ATOM   935  C CA  . ASP    A  1  121 ? -24.910 -16.657 26.571  1.00 87.35 121 A  1 
ATOM   936  C C   . ASP    A  1  121 ? -26.213 -16.279 25.871  1.00 87.18 121 A  1 
ATOM   937  O O   . ASP    A  1  121 ? -27.297 -16.567 26.376  1.00 82.36 121 A  1 
ATOM   938  C CB  . ASP    A  1  121 ? -24.406 -15.476 27.411  1.00 85.01 121 A  1 
ATOM   939  C CG  . ASP    A  1  121 ? -24.034 -14.275 26.566  1.00 79.96 121 A  1 
ATOM   940  O OD1 . ASP    A  1  121 ? -23.182 -14.408 25.674  1.00 71.55 121 A  1 
ATOM   941  O OD2 . ASP    A  1  121 ? -24.599 -13.187 26.802  1.00 73.28 121 A  1 
ATOM   942  N N   . LEU    A  1  122 ? -26.108 -15.659 24.720  1.00 87.35 122 A  1 
ATOM   943  C CA  . LEU    A  1  122 ? -27.306 -15.258 23.991  1.00 86.73 122 A  1 
ATOM   944  C C   . LEU    A  1  122 ? -28.001 -16.452 23.348  1.00 86.17 122 A  1 
ATOM   945  O O   . LEU    A  1  122 ? -29.229 -16.529 23.349  1.00 81.75 122 A  1 
ATOM   946  C CB  . LEU    A  1  122 ? -26.965 -14.210 22.935  1.00 84.89 122 A  1 
ATOM   947  C CG  . LEU    A  1  122 ? -26.493 -12.855 23.472  1.00 81.36 122 A  1 
ATOM   948  C CD1 . LEU    A  1  122 ? -26.136 -11.924 22.327  1.00 75.06 122 A  1 
ATOM   949  C CD2 . LEU    A  1  122 ? -27.562 -12.220 24.353  1.00 74.98 122 A  1 
ATOM   950  N N   . ARG    A  1  123 ? -27.224 -17.360 22.800  1.00 85.55 123 A  1 
ATOM   951  C CA  . ARG    A  1  123 ? -27.831 -18.542 22.193  1.00 85.55 123 A  1 
ATOM   952  C C   . ARG    A  1  123 ? -28.539 -19.391 23.249  1.00 84.68 123 A  1 
ATOM   953  O O   . ARG    A  1  123 ? -29.590 -19.965 22.984  1.00 80.59 123 A  1 
ATOM   954  C CB  . ARG    A  1  123 ? -26.783 -19.400 21.476  1.00 84.30 123 A  1 
ATOM   955  C CG  . ARG    A  1  123 ? -27.407 -20.519 20.651  1.00 81.38 123 A  1 
ATOM   956  C CD  . ARG    A  1  123 ? -26.387 -21.543 20.206  1.00 81.62 123 A  1 
ATOM   957  N NE  . ARG    A  1  123 ? -25.846 -22.275 21.341  1.00 80.85 123 A  1 
ATOM   958  C CZ  . ARG    A  1  123 ? -24.846 -23.152 21.264  1.00 83.80 123 A  1 
ATOM   959  N NH1 . ARG    A  1  123 ? -24.268 -23.405 20.093  1.00 73.91 123 A  1 
ATOM   960  N NH2 . ARG    A  1  123 ? -24.414 -23.772 22.349  1.00 77.17 123 A  1 
ATOM   961  N N   . ASP    A  1  124 ? -27.963 -19.461 24.426  1.00 84.03 124 A  1 
ATOM   962  C CA  . ASP    A  1  124 ? -28.543 -20.261 25.503  1.00 82.42 124 A  1 
ATOM   963  C C   . ASP    A  1  124 ? -29.667 -19.542 26.245  1.00 81.62 124 A  1 
ATOM   964  O O   . ASP    A  1  124 ? -30.336 -20.152 27.077  1.00 76.08 124 A  1 
ATOM   965  C CB  . ASP    A  1  124 ? -27.454 -20.674 26.499  1.00 79.59 124 A  1 
ATOM   966  C CG  . ASP    A  1  124 ? -26.482 -21.687 25.923  1.00 76.29 124 A  1 
ATOM   967  O OD1 . ASP    A  1  124 ? -26.722 -22.186 24.807  1.00 69.37 124 A  1 
ATOM   968  O OD2 . ASP    A  1  124 ? -25.480 -21.993 26.598  1.00 70.92 124 A  1 
ATOM   969  N N   . ASP    A  1  125 ? -29.869 -18.278 25.938  1.00 83.47 125 A  1 
ATOM   970  C CA  . ASP    A  1  125 ? -30.913 -17.510 26.602  1.00 82.12 125 A  1 
ATOM   971  C C   . ASP    A  1  125 ? -32.265 -17.746 25.931  1.00 81.47 125 A  1 
ATOM   972  O O   . ASP    A  1  125 ? -32.474 -17.369 24.778  1.00 76.66 125 A  1 
ATOM   973  C CB  . ASP    A  1  125 ? -30.573 -16.019 26.581  1.00 78.30 125 A  1 
ATOM   974  C CG  . ASP    A  1  125 ? -31.623 -15.172 27.275  1.00 72.77 125 A  1 
ATOM   975  O OD1 . ASP    A  1  125 ? -32.116 -15.593 28.337  1.00 65.64 125 A  1 
ATOM   976  O OD2 . ASP    A  1  125 ? -31.957 -14.093 26.759  1.00 65.38 125 A  1 
ATOM   977  N N   . LYS    A  1  126 ? -33.170 -18.351 26.656  1.00 81.46 126 A  1 
ATOM   978  C CA  . LYS    A  1  126 ? -34.494 -18.653 26.120  1.00 79.80 126 A  1 
ATOM   979  C C   . LYS    A  1  126 ? -35.212 -17.392 25.662  1.00 79.87 126 A  1 
ATOM   980  O O   . LYS    A  1  126 ? -35.898 -17.398 24.637  1.00 73.31 126 A  1 
ATOM   981  C CB  . LYS    A  1  126 ? -35.329 -19.374 27.182  1.00 75.74 126 A  1 
ATOM   982  C CG  . LYS    A  1  126 ? -36.693 -19.837 26.688  1.00 68.57 126 A  1 
ATOM   983  C CD  . LYS    A  1  126 ? -36.567 -20.896 25.606  1.00 58.88 126 A  1 
ATOM   984  C CE  . LYS    A  1  126 ? -37.935 -21.424 25.198  1.00 51.06 126 A  1 
ATOM   985  N NZ  . LYS    A  1  126 ? -37.834 -22.466 24.139  1.00 42.62 126 A  1 
ATOM   986  N N   . GLY    A  1  127 ? -35.064 -16.335 26.419  1.00 79.01 127 A  1 
ATOM   987  C CA  . GLY    A  1  127 ? -35.701 -15.077 26.061  1.00 77.32 127 A  1 
ATOM   988  C C   . GLY    A  1  127 ? -35.198 -14.546 24.735  1.00 77.94 127 A  1 
ATOM   989  O O   . GLY    A  1  127 ? -35.974 -14.043 23.919  1.00 72.89 127 A  1 
ATOM   990  N N   . TYR    A  1  128 ? -33.914 -14.669 24.524  1.00 78.15 128 A  1 
ATOM   991  C CA  . TYR    A  1  128 ? -33.329 -14.210 23.269  1.00 77.45 128 A  1 
ATOM   992  C C   . TYR    A  1  128 ? -33.802 -15.075 22.105  1.00 76.95 128 A  1 
ATOM   993  O O   . TYR    A  1  128 ? -34.143 -14.563 21.035  1.00 72.72 128 A  1 
ATOM   994  C CB  . TYR    A  1  128 ? -31.803 -14.225 23.362  1.00 73.94 128 A  1 
ATOM   995  C CG  . TYR    A  1  128 ? -31.129 -13.717 22.109  1.00 71.43 128 A  1 
ATOM   996  C CD1 . TYR    A  1  128 ? -30.821 -14.576 21.066  1.00 66.13 128 A  1 
ATOM   997  C CD2 . TYR    A  1  128 ? -30.815 -12.368 21.965  1.00 65.95 128 A  1 
ATOM   998  C CE1 . TYR    A  1  128 ? -30.222 -14.110 19.908  1.00 62.92 128 A  1 
ATOM   999  C CE2 . TYR    A  1  128 ? -30.215 -11.894 20.809  1.00 61.76 128 A  1 
ATOM   1000 C CZ  . TYR    A  1  128 ? -29.920 -12.770 19.784  1.00 63.04 128 A  1 
ATOM   1001 O OH  . TYR    A  1  128 ? -29.327 -12.310 18.633  1.00 61.08 128 A  1 
ATOM   1002 N N   . LEU    A  1  129 ? -33.827 -16.368 22.318  1.00 78.78 129 A  1 
ATOM   1003 C CA  . LEU    A  1  129 ? -34.257 -17.294 21.274  1.00 77.80 129 A  1 
ATOM   1004 C C   . LEU    A  1  129 ? -35.714 -17.087 20.879  1.00 77.49 129 A  1 
ATOM   1005 O O   . LEU    A  1  129 ? -36.104 -17.401 19.756  1.00 74.03 129 A  1 
ATOM   1006 C CB  . LEU    A  1  129 ? -34.052 -18.740 21.729  1.00 74.05 129 A  1 
ATOM   1007 C CG  . LEU    A  1  129 ? -32.605 -19.210 21.864  1.00 67.66 129 A  1 
ATOM   1008 C CD1 . LEU    A  1  129 ? -32.567 -20.612 22.439  1.00 61.85 129 A  1 
ATOM   1009 C CD2 . LEU    A  1  129 ? -31.905 -19.170 20.514  1.00 62.52 129 A  1 
ATOM   1010 N N   . ALA    A  1  130 ? -36.493 -16.567 21.782  1.00 77.89 130 A  1 
ATOM   1011 C CA  . ALA    A  1  130 ? -37.899 -16.324 21.485  1.00 76.65 130 A  1 
ATOM   1012 C C   . ALA    A  1  130 ? -38.054 -15.307 20.356  1.00 76.51 130 A  1 
ATOM   1013 O O   . ALA    A  1  130 ? -39.004 -15.380 19.577  1.00 71.83 130 A  1 
ATOM   1014 C CB  . ALA    A  1  130 ? -38.619 -15.835 22.733  1.00 74.23 130 A  1 
ATOM   1015 N N   . ASP    A  1  131 ? -37.119 -14.382 20.270  1.00 80.32 131 A  1 
ATOM   1016 C CA  . ASP    A  1  131 ? -37.157 -13.353 19.235  1.00 78.45 131 A  1 
ATOM   1017 C C   . ASP    A  1  131 ? -36.149 -13.596 18.116  1.00 77.53 131 A  1 
ATOM   1018 O O   . ASP    A  1  131 ? -36.232 -12.961 17.063  1.00 71.82 131 A  1 
ATOM   1019 C CB  . ASP    A  1  131 ? -36.902 -11.978 19.852  1.00 74.70 131 A  1 
ATOM   1020 C CG  . ASP    A  1  131 ? -37.996 -11.558 20.814  1.00 68.39 131 A  1 
ATOM   1021 O OD1 . ASP    A  1  131 ? -39.150 -11.989 20.633  1.00 61.44 131 A  1 
ATOM   1022 O OD2 . ASP    A  1  131 ? -37.694 -10.787 21.744  1.00 61.68 131 A  1 
ATOM   1023 N N   . HIS    A  1  132 ? -35.218 -14.485 18.348  1.00 78.78 132 A  1 
ATOM   1024 C CA  . HIS    A  1  132 ? -34.184 -14.765 17.355  1.00 77.75 132 A  1 
ATOM   1025 C C   . HIS    A  1  132 ? -33.966 -16.270 17.231  1.00 77.61 132 A  1 
ATOM   1026 O O   . HIS    A  1  132 ? -33.363 -16.888 18.107  1.00 72.70 132 A  1 
ATOM   1027 C CB  . HIS    A  1  132 ? -32.875 -14.090 17.746  1.00 74.00 132 A  1 
ATOM   1028 C CG  . HIS    A  1  132 ? -33.007 -12.625 18.027  1.00 70.80 132 A  1 
ATOM   1029 N ND1 . HIS    A  1  132 ? -33.415 -12.136 19.244  1.00 60.97 132 A  1 
ATOM   1030 C CD2 . HIS    A  1  132 ? -32.794 -11.553 17.239  1.00 61.88 132 A  1 
ATOM   1031 C CE1 . HIS    A  1  132 ? -33.448 -10.814 19.194  1.00 60.83 132 A  1 
ATOM   1032 N NE2 . HIS    A  1  132 ? -33.073 -10.433 17.990  1.00 59.54 132 A  1 
ATOM   1033 N N   . THR    A  1  133 ? -34.447 -16.822 16.137  1.00 80.64 133 A  1 
ATOM   1034 C CA  . THR    A  1  133 ? -34.323 -18.261 15.918  1.00 78.19 133 A  1 
ATOM   1035 C C   . THR    A  1  133 ? -33.145 -18.629 15.027  1.00 78.63 133 A  1 
ATOM   1036 O O   . THR    A  1  133 ? -32.790 -19.804 14.925  1.00 72.26 133 A  1 
ATOM   1037 C CB  . THR    A  1  133 ? -35.605 -18.818 15.284  1.00 73.26 133 A  1 
ATOM   1038 O OG1 . THR    A  1  133 ? -35.834 -18.166 14.030  1.00 64.50 133 A  1 
ATOM   1039 C CG2 . THR    A  1  133 ? -36.799 -18.586 16.196  1.00 61.83 133 A  1 
ATOM   1040 N N   . ASN    A  1  134 ? -32.558 -17.644 14.393  1.00 82.71 134 A  1 
ATOM   1041 C CA  . ASN    A  1  134 ? -31.455 -17.895 13.474  1.00 82.81 134 A  1 
ATOM   1042 C C   . ASN    A  1  134 ? -30.120 -17.969 14.222  1.00 84.61 134 A  1 
ATOM   1043 O O   . ASN    A  1  134 ? -29.324 -17.033 14.195  1.00 80.01 134 A  1 
ATOM   1044 C CB  . ASN    A  1  134 ? -31.424 -16.802 12.412  1.00 77.44 134 A  1 
ATOM   1045 C CG  . ASN    A  1  134 ? -30.566 -17.171 11.223  1.00 70.41 134 A  1 
ATOM   1046 O OD1 . ASN    A  1  134 ? -29.983 -18.249 11.174  1.00 61.53 134 A  1 
ATOM   1047 N ND2 . ASN    A  1  134 ? -30.502 -16.273 10.249  1.00 62.49 134 A  1 
ATOM   1048 N N   . VAL    A  1  135 ? -29.900 -19.083 14.866  1.00 86.35 135 A  1 
ATOM   1049 C CA  . VAL    A  1  135 ? -28.678 -19.275 15.641  1.00 86.87 135 A  1 
ATOM   1050 C C   . VAL    A  1  135 ? -27.962 -20.546 15.197  1.00 87.63 135 A  1 
ATOM   1051 O O   . VAL    A  1  135 ? -28.521 -21.372 14.476  1.00 84.55 135 A  1 
ATOM   1052 C CB  . VAL    A  1  135 ? -28.972 -19.361 17.150  1.00 84.35 135 A  1 
ATOM   1053 C CG1 . VAL    A  1  135 ? -29.658 -18.085 17.624  1.00 74.15 135 A  1 
ATOM   1054 C CG2 . VAL    A  1  135 ? -29.831 -20.574 17.463  1.00 75.08 135 A  1 
ATOM   1055 N N   . ILE    A  1  136 ? -26.731 -20.672 15.638  1.00 89.15 136 A  1 
ATOM   1056 C CA  . ILE    A  1  136 ? -25.906 -21.817 15.267  1.00 89.99 136 A  1 
ATOM   1057 C C   . ILE    A  1  136 ? -25.837 -22.810 16.419  1.00 90.12 136 A  1 
ATOM   1058 O O   . ILE    A  1  136 ? -25.493 -22.445 17.541  1.00 87.52 136 A  1 
ATOM   1059 C CB  . ILE    A  1  136 ? -24.481 -21.371 14.899  1.00 88.99 136 A  1 
ATOM   1060 C CG1 . ILE    A  1  136 ? -24.527 -20.281 13.821  1.00 83.50 136 A  1 
ATOM   1061 C CG2 . ILE    A  1  136 ? -23.648 -22.560 14.440  1.00 81.49 136 A  1 
ATOM   1062 C CD1 . ILE    A  1  136 ? -25.206 -20.697 12.540  1.00 75.26 136 A  1 
ATOM   1063 N N   . THR    A  1  137 ? -26.147 -24.053 16.124  1.00 89.54 137 A  1 
ATOM   1064 C CA  . THR    A  1  137 ? -26.102 -25.091 17.148  1.00 89.02 137 A  1 
ATOM   1065 C C   . THR    A  1  137 ? -24.679 -25.604 17.324  1.00 89.66 137 A  1 
ATOM   1066 O O   . THR    A  1  137 ? -23.814 -25.392 16.473  1.00 87.13 137 A  1 
ATOM   1067 C CB  . THR    A  1  137 ? -26.992 -26.277 16.778  1.00 86.73 137 A  1 
ATOM   1068 O OG1 . THR    A  1  137 ? -26.457 -26.933 15.630  1.00 77.09 137 A  1 
ATOM   1069 C CG2 . THR    A  1  137 ? -28.415 -25.828 16.496  1.00 74.11 137 A  1 
ATOM   1070 N N   . SER    A  1  138 ? -24.462 -26.307 18.415  1.00 90.05 138 A  1 
ATOM   1071 C CA  . SER    A  1  138 ? -23.149 -26.894 18.670  1.00 90.29 138 A  1 
ATOM   1072 C C   . SER    A  1  138 ? -22.807 -27.917 17.592  1.00 90.89 138 A  1 
ATOM   1073 O O   . SER    A  1  138 ? -21.648 -28.067 17.215  1.00 87.94 138 A  1 
ATOM   1074 C CB  . SER    A  1  138 ? -23.119 -27.555 20.043  1.00 88.49 138 A  1 
ATOM   1075 O OG  . SER    A  1  138 ? -23.319 -26.597 21.067  1.00 78.81 138 A  1 
ATOM   1076 N N   . THR    A  1  139 ? -23.826 -28.598 17.112  1.00 92.60 139 A  1 
ATOM   1077 C CA  . THR    A  1  139 ? -23.622 -29.589 16.060  1.00 92.50 139 A  1 
ATOM   1078 C C   . THR    A  1  139 ? -23.126 -28.918 14.780  1.00 92.70 139 A  1 
ATOM   1079 O O   . THR    A  1  139 ? -22.216 -29.414 14.118  1.00 90.04 139 A  1 
ATOM   1080 C CB  . THR    A  1  139 ? -24.919 -30.355 15.776  1.00 91.06 139 A  1 
ATOM   1081 O OG1 . THR    A  1  139 ? -25.356 -31.007 16.972  1.00 79.11 139 A  1 
ATOM   1082 C CG2 . THR    A  1  139 ? -24.703 -31.395 14.689  1.00 73.83 139 A  1 
ATOM   1083 N N   . GLN    A  1  140 ? -23.731 -27.802 14.459  1.00 91.88 140 A  1 
ATOM   1084 C CA  . GLN    A  1  140 ? -23.316 -27.061 13.272  1.00 91.73 140 A  1 
ATOM   1085 C C   . GLN    A  1  140 ? -21.887 -26.548 13.428  1.00 92.34 140 A  1 
ATOM   1086 O O   . GLN    A  1  140 ? -21.109 -26.551 12.474  1.00 90.25 140 A  1 
ATOM   1087 C CB  . GLN    A  1  140 ? -24.263 -25.888 13.019  1.00 90.24 140 A  1 
ATOM   1088 C CG  . GLN    A  1  140 ? -25.638 -26.303 12.535  1.00 86.43 140 A  1 
ATOM   1089 C CD  . GLN    A  1  140 ? -26.574 -25.124 12.385  1.00 84.26 140 A  1 
ATOM   1090 O OE1 . GLN    A  1  140 ? -26.818 -24.397 13.345  1.00 75.33 140 A  1 
ATOM   1091 N NE2 . GLN    A  1  140 ? -27.102 -24.923 11.192  1.00 73.58 140 A  1 
ATOM   1092 N N   . GLY    A  1  141 ? -21.566 -26.118 14.627  1.00 90.97 141 A  1 
ATOM   1093 C CA  . GLY    A  1  141 ? -20.220 -25.636 14.891  1.00 90.99 141 A  1 
ATOM   1094 C C   . GLY    A  1  141 ? -19.191 -26.739 14.742  1.00 92.01 141 A  1 
ATOM   1095 O O   . GLY    A  1  141 ? -18.128 -26.539 14.154  1.00 89.85 141 A  1 
ATOM   1096 N N   . GLU    A  1  142 ? -19.517 -27.895 15.264  1.00 93.20 142 A  1 
ATOM   1097 C CA  . GLU    A  1  142 ? -18.602 -29.031 15.172  1.00 93.38 142 A  1 
ATOM   1098 C C   . GLU    A  1  142 ? -18.438 -29.473 13.719  1.00 93.84 142 A  1 
ATOM   1099 O O   . GLU    A  1  142 ? -17.343 -29.838 13.290  1.00 91.69 142 A  1 
ATOM   1100 C CB  . GLU    A  1  142 ? -19.112 -30.188 16.033  1.00 91.82 142 A  1 
ATOM   1101 C CG  . GLU    A  1  142 ? -18.265 -31.451 15.976  1.00 80.68 142 A  1 
ATOM   1102 C CD  . GLU    A  1  142 ? -16.839 -31.249 16.449  1.00 79.97 142 A  1 
ATOM   1103 O OE1 . GLU    A  1  142 ? -16.571 -30.260 17.159  1.00 73.48 142 A  1 
ATOM   1104 O OE2 . GLU    A  1  142 ? -15.982 -32.089 16.114  1.00 73.20 142 A  1 
ATOM   1105 N N   . GLU    A  1  143 ? -19.526 -29.427 12.976  1.00 93.94 143 A  1 
ATOM   1106 C CA  . GLU    A  1  143 ? -19.461 -29.787 11.563  1.00 93.75 143 A  1 
ATOM   1107 C C   . GLU    A  1  143 ? -18.537 -28.826 10.818  1.00 93.98 143 A  1 
ATOM   1108 O O   . GLU    A  1  143 ? -17.745 -29.244 9.969   1.00 91.55 143 A  1 
ATOM   1109 C CB  . GLU    A  1  143 ? -20.855 -29.767 10.942  1.00 92.49 143 A  1 
ATOM   1110 C CG  . GLU    A  1  143 ? -20.884 -30.185 9.478   1.00 79.89 143 A  1 
ATOM   1111 C CD  . GLU    A  1  143 ? -22.285 -30.213 8.897   1.00 72.64 143 A  1 
ATOM   1112 O OE1 . GLU    A  1  143 ? -23.243 -29.891 9.633   1.00 64.17 143 A  1 
ATOM   1113 O OE2 . GLU    A  1  143 ? -22.428 -30.557 7.708   1.00 64.50 143 A  1 
ATOM   1114 N N   . LEU    A  1  144 ? -18.650 -27.567 11.153  1.00 92.73 144 A  1 
ATOM   1115 C CA  . LEU    A  1  144 ? -17.801 -26.565 10.518  1.00 92.81 144 A  1 
ATOM   1116 C C   . LEU    A  1  144 ? -16.334 -26.808 10.863  1.00 92.99 144 A  1 
ATOM   1117 O O   . LEU    A  1  144 ? -15.459 -26.664 10.008  1.00 90.82 144 A  1 
ATOM   1118 C CB  . LEU    A  1  144 ? -18.222 -25.162 10.953  1.00 91.63 144 A  1 
ATOM   1119 C CG  . LEU    A  1  144 ? -17.435 -23.994 10.355  1.00 88.90 144 A  1 
ATOM   1120 C CD1 . LEU    A  1  144 ? -17.516 -24.001 8.841   1.00 80.43 144 A  1 
ATOM   1121 C CD2 . LEU    A  1  144 ? -17.964 -22.679 10.905  1.00 81.38 144 A  1 
ATOM   1122 N N   . ARG    A  1  145 ? -16.084 -27.176 12.109  1.00 93.03 145 A  1 
ATOM   1123 C CA  . ARG    A  1  145 ? -14.716 -27.475 12.529  1.00 93.25 145 A  1 
ATOM   1124 C C   . ARG    A  1  145 ? -14.117 -28.568 11.647  1.00 92.86 145 A  1 
ATOM   1125 O O   . ARG    A  1  145 ? -12.972 -28.468 11.211  1.00 90.91 145 A  1 
ATOM   1126 C CB  . ARG    A  1  145 ? -14.678 -27.935 13.986  1.00 92.54 145 A  1 
ATOM   1127 C CG  . ARG    A  1  145 ? -13.270 -28.220 14.476  1.00 88.23 145 A  1 
ATOM   1128 C CD  . ARG    A  1  145 ? -13.234 -29.055 15.736  1.00 87.32 145 A  1 
ATOM   1129 N NE  . ARG    A  1  145 ? -13.740 -30.404 15.517  1.00 83.53 145 A  1 
ATOM   1130 C CZ  . ARG    A  1  145 ? -13.076 -31.372 14.883  1.00 81.76 145 A  1 
ATOM   1131 N NH1 . ARG    A  1  145 ? -11.860 -31.150 14.396  1.00 71.02 145 A  1 
ATOM   1132 N NH2 . ARG    A  1  145 ? -13.624 -32.566 14.738  1.00 74.79 145 A  1 
ATOM   1133 N N   . LYS    A  1  146 ? -14.907 -29.590 11.403  1.00 93.10 146 A  1 
ATOM   1134 C CA  . LYS    A  1  146 ? -14.437 -30.694 10.574  1.00 92.80 146 A  1 
ATOM   1135 C C   . LYS    A  1  146 ? -14.198 -30.247 9.135   1.00 91.94 146 A  1 
ATOM   1136 O O   . LYS    A  1  146 ? -13.224 -30.659 8.509   1.00 89.47 146 A  1 
ATOM   1137 C CB  . LYS    A  1  146 ? -15.443 -31.840 10.605  1.00 91.99 146 A  1 
ATOM   1138 C CG  . LYS    A  1  146 ? -15.579 -32.507 11.963  1.00 84.01 146 A  1 
ATOM   1139 C CD  . LYS    A  1  146 ? -16.623 -33.606 11.938  1.00 81.56 146 A  1 
ATOM   1140 C CE  . LYS    A  1  146 ? -16.774 -34.253 13.303  1.00 71.93 146 A  1 
ATOM   1141 N NZ  . LYS    A  1  146 ? -17.824 -35.311 13.307  1.00 63.62 146 A  1 
ATOM   1142 N N   . GLN    A  1  147 ? -15.084 -29.416 8.642   1.00 93.46 147 A  1 
ATOM   1143 C CA  . GLN    A  1  147 ? -14.963 -28.942 7.266   1.00 92.88 147 A  1 
ATOM   1144 C C   . GLN    A  1  147 ? -13.698 -28.122 7.044   1.00 92.52 147 A  1 
ATOM   1145 O O   . GLN    A  1  147 ? -13.046 -28.253 6.008   1.00 89.08 147 A  1 
ATOM   1146 C CB  . GLN    A  1  147 ? -16.178 -28.099 6.884   1.00 91.35 147 A  1 
ATOM   1147 C CG  . GLN    A  1  147 ? -17.470 -28.887 6.756   1.00 82.09 147 A  1 
ATOM   1148 C CD  . GLN    A  1  147 ? -18.660 -27.998 6.462   1.00 79.96 147 A  1 
ATOM   1149 O OE1 . GLN    A  1  147 ? -18.510 -26.816 6.156   1.00 71.69 147 A  1 
ATOM   1150 N NE2 . GLN    A  1  147 ? -19.858 -28.561 6.556   1.00 69.68 147 A  1 
ATOM   1151 N N   . ILE    A  1  148 ? -13.364 -27.301 7.997   1.00 91.75 148 A  1 
ATOM   1152 C CA  . ILE    A  1  148 ? -12.200 -26.431 7.835   1.00 90.82 148 A  1 
ATOM   1153 C C   . ILE    A  1  148 ? -10.918 -27.037 8.400   1.00 90.48 148 A  1 
ATOM   1154 O O   . ILE    A  1  148 ? -9.837  -26.466 8.239   1.00 86.91 148 A  1 
ATOM   1155 C CB  . ILE    A  1  148 ? -12.433 -25.049 8.476   1.00 89.42 148 A  1 
ATOM   1156 C CG1 . ILE    A  1  148 ? -12.506 -25.159 9.998   1.00 81.00 148 A  1 
ATOM   1157 C CG2 . ILE    A  1  148 ? -13.699 -24.416 7.912   1.00 79.17 148 A  1 
ATOM   1158 C CD1 . ILE    A  1  148 ? -12.585 -23.821 10.708  1.00 78.44 148 A  1 
ATOM   1159 N N   . GLY    A  1  149 ? -11.048 -28.165 9.056   1.00 90.08 149 A  1 
ATOM   1160 C CA  . GLY    A  1  149 ? -9.880  -28.819 9.619   1.00 89.65 149 A  1 
ATOM   1161 C C   . GLY    A  1  149 ? -9.304  -28.121 10.837  1.00 90.22 149 A  1 
ATOM   1162 O O   . GLY    A  1  149 ? -8.110  -28.216 11.104  1.00 87.11 149 A  1 
ATOM   1163 N N   . ALA    A  1  150 ? -10.149 -27.429 11.568  1.00 90.02 150 A  1 
ATOM   1164 C CA  . ALA    A  1  150 ? -9.686  -26.736 12.767  1.00 90.74 150 A  1 
ATOM   1165 C C   . ALA    A  1  150 ? -9.266  -27.750 13.829  1.00 90.81 150 A  1 
ATOM   1166 O O   . ALA    A  1  150 ? -9.861  -28.819 13.950  1.00 88.48 150 A  1 
ATOM   1167 C CB  . ALA    A  1  150 ? -10.774 -25.825 13.312  1.00 90.04 150 A  1 
ATOM   1168 N N   . ALA    A  1  151 ? -8.251  -27.388 14.588  1.00 90.91 151 A  1 
ATOM   1169 C CA  . ALA    A  1  151 ? -7.741  -28.279 15.623  1.00 90.68 151 A  1 
ATOM   1170 C C   . ALA    A  1  151 ? -8.733  -28.472 16.767  1.00 90.98 151 A  1 
ATOM   1171 O O   . ALA    A  1  151 ? -8.711  -29.501 17.442  1.00 88.20 151 A  1 
ATOM   1172 C CB  . ALA    A  1  151 ? -6.424  -27.743 16.162  1.00 89.20 151 A  1 
ATOM   1173 N N   . ALA    A  1  152 ? -9.581  -27.491 16.978  1.00 91.71 152 A  1 
ATOM   1174 C CA  . ALA    A  1  152 ? -10.556 -27.576 18.058  1.00 91.70 152 A  1 
ATOM   1175 C C   . ALA    A  1  152 ? -11.716 -26.627 17.819  1.00 92.02 152 A  1 
ATOM   1176 O O   . ALA    A  1  152 ? -11.602 -25.681 17.041  1.00 89.90 152 A  1 
ATOM   1177 C CB  . ALA    A  1  152 ? -9.894  -27.257 19.390  1.00 90.38 152 A  1 
ATOM   1178 N N   . TYR    A  1  153 ? -12.808 -26.897 18.497  1.00 92.16 153 A  1 
ATOM   1179 C CA  . TYR    A  1  153 ? -13.986 -26.039 18.438  1.00 92.71 153 A  1 
ATOM   1180 C C   . TYR    A  1  153 ? -14.452 -25.786 19.864  1.00 92.72 153 A  1 
ATOM   1181 O O   . TYR    A  1  153 ? -14.661 -26.727 20.627  1.00 90.44 153 A  1 
ATOM   1182 C CB  . TYR    A  1  153 ? -15.114 -26.691 17.640  1.00 91.70 153 A  1 
ATOM   1183 C CG  . TYR    A  1  153 ? -16.425 -25.939 17.737  1.00 91.15 153 A  1 
ATOM   1184 C CD1 . TYR    A  1  153 ? -16.518 -24.616 17.321  1.00 85.50 153 A  1 
ATOM   1185 C CD2 . TYR    A  1  153 ? -17.565 -26.543 18.254  1.00 86.01 153 A  1 
ATOM   1186 C CE1 . TYR    A  1  153 ? -17.709 -23.915 17.420  1.00 85.10 153 A  1 
ATOM   1187 C CE2 . TYR    A  1  153 ? -18.765 -25.852 18.353  1.00 84.20 153 A  1 
ATOM   1188 C CZ  . TYR    A  1  153 ? -18.831 -24.534 17.936  1.00 88.33 153 A  1 
ATOM   1189 O OH  . TYR    A  1  153 ? -20.013 -23.835 18.033  1.00 87.24 153 A  1 
ATOM   1190 N N   . ILE    A  1  154 ? -14.609 -24.530 20.196  1.00 93.40 154 A  1 
ATOM   1191 C CA  . ILE    A  1  154 ? -15.030 -24.148 21.541  1.00 93.55 154 A  1 
ATOM   1192 C C   . ILE    A  1  154 ? -16.109 -23.083 21.454  1.00 93.42 154 A  1 
ATOM   1193 O O   . ILE    A  1  154 ? -16.042 -22.188 20.614  1.00 90.35 154 A  1 
ATOM   1194 C CB  . ILE    A  1  154 ? -13.848 -23.599 22.362  1.00 91.91 154 A  1 
ATOM   1195 C CG1 . ILE    A  1  154 ? -12.733 -24.641 22.451  1.00 77.82 154 A  1 
ATOM   1196 C CG2 . ILE    A  1  154 ? -14.300 -23.188 23.758  1.00 77.29 154 A  1 
ATOM   1197 C CD1 . ILE    A  1  154 ? -11.453 -24.118 23.048  1.00 74.57 154 A  1 
ATOM   1198 N N   . GLU    A  1  155 ? -17.090 -23.185 22.327  1.00 92.25 155 A  1 
ATOM   1199 C CA  . GLU    A  1  155 ? -18.144 -22.184 22.413  1.00 92.19 155 A  1 
ATOM   1200 C C   . GLU    A  1  155 ? -17.930 -21.401 23.697  1.00 92.05 155 A  1 
ATOM   1201 O O   . GLU    A  1  155 ? -17.724 -21.996 24.754  1.00 89.29 155 A  1 
ATOM   1202 C CB  . GLU    A  1  155 ? -19.518 -22.844 22.403  1.00 90.37 155 A  1 
ATOM   1203 C CG  . GLU    A  1  155 ? -19.810 -23.598 21.118  1.00 87.03 155 A  1 
ATOM   1204 C CD  . GLU    A  1  155 ? -21.186 -24.240 21.096  1.00 88.32 155 A  1 
ATOM   1205 O OE1 . GLU    A  1  155 ? -21.753 -24.474 22.180  1.00 81.97 155 A  1 
ATOM   1206 O OE2 . GLU    A  1  155 ? -21.692 -24.522 19.993  1.00 83.44 155 A  1 
ATOM   1207 N N   . CYS    A  1  156 ? -17.979 -20.100 23.596  1.00 91.43 156 A  1 
ATOM   1208 C CA  . CYS    A  1  156 ? -17.722 -19.285 24.774  1.00 90.84 156 A  1 
ATOM   1209 C C   . CYS    A  1  156 ? -18.621 -18.061 24.854  1.00 90.62 156 A  1 
ATOM   1210 O O   . CYS    A  1  156 ? -19.313 -17.710 23.900  1.00 87.94 156 A  1 
ATOM   1211 C CB  . CYS    A  1  156 ? -16.262 -18.835 24.796  1.00 88.75 156 A  1 
ATOM   1212 S SG  . CYS    A  1  156 ? -15.862 -17.582 23.563  1.00 83.47 156 A  1 
ATOM   1213 N N   . SER    A  1  157 ? -18.585 -17.437 26.003  1.00 90.66 157 A  1 
ATOM   1214 C CA  . SER    A  1  157 ? -19.320 -16.205 26.238  1.00 90.32 157 A  1 
ATOM   1215 C C   . SER    A  1  157 ? -18.437 -15.260 27.036  1.00 89.94 157 A  1 
ATOM   1216 O O   . SER    A  1  157 ? -18.043 -15.578 28.156  1.00 86.76 157 A  1 
ATOM   1217 C CB  . SER    A  1  157 ? -20.605 -16.469 27.012  1.00 89.02 157 A  1 
ATOM   1218 O OG  . SER    A  1  157 ? -21.189 -15.243 27.434  1.00 80.56 157 A  1 
ATOM   1219 N N   . SER    A  1  158 ? -18.145 -14.120 26.466  1.00 89.35 158 A  1 
ATOM   1220 C CA  . SER    A  1  158 ? -17.352 -13.130 27.185  1.00 88.43 158 A  1 
ATOM   1221 C C   . SER    A  1  158 ? -18.159 -12.515 28.322  1.00 87.82 158 A  1 
ATOM   1222 O O   . SER    A  1  158 ? -17.604 -12.154 29.357  1.00 84.65 158 A  1 
ATOM   1223 C CB  . SER    A  1  158 ? -16.871 -12.038 26.237  1.00 87.07 158 A  1 
ATOM   1224 O OG  . SER    A  1  158 ? -15.985 -12.563 25.269  1.00 77.22 158 A  1 
ATOM   1225 N N   . LYS    A  1  159 ? -19.453 -12.406 28.115  1.00 87.27 159 A  1 
ATOM   1226 C CA  . LYS    A  1  159 ? -20.315 -11.815 29.132  1.00 86.67 159 A  1 
ATOM   1227 C C   . LYS    A  1  159 ? -20.317 -12.626 30.423  1.00 86.19 159 A  1 
ATOM   1228 O O   . LYS    A  1  159 ? -20.233 -12.064 31.518  1.00 82.29 159 A  1 
ATOM   1229 C CB  . LYS    A  1  159 ? -21.739 -11.678 28.600  1.00 84.81 159 A  1 
ATOM   1230 C CG  . LYS    A  1  159 ? -22.674 -10.949 29.551  1.00 80.69 159 A  1 
ATOM   1231 C CD  . LYS    A  1  159 ? -24.054 -10.780 28.949  1.00 75.70 159 A  1 
ATOM   1232 C CE  . LYS    A  1  159 ? -24.977 -10.038 29.897  1.00 69.58 159 A  1 
ATOM   1233 N NZ  . LYS    A  1  159 ? -26.339 -9.866  29.326  1.00 62.58 159 A  1 
ATOM   1234 N N   . THR    A  1  160 ? -20.411 -13.928 30.290  1.00 88.26 160 A  1 
ATOM   1235 C CA  . THR    A  1  160 ? -20.405 -14.807 31.461  1.00 87.18 160 A  1 
ATOM   1236 C C   . THR    A  1  160 ? -19.013 -15.354 31.756  1.00 87.13 160 A  1 
ATOM   1237 O O   . THR    A  1  160 ? -18.811 -16.013 32.776  1.00 82.44 160 A  1 
ATOM   1238 C CB  . THR    A  1  160 ? -21.355 -15.995 31.268  1.00 85.48 160 A  1 
ATOM   1239 O OG1 . THR    A  1  160 ? -20.857 -16.841 30.229  1.00 75.69 160 A  1 
ATOM   1240 C CG2 . THR    A  1  160 ? -22.755 -15.525 30.910  1.00 72.96 160 A  1 
ATOM   1241 N N   . GLN    A  1  161 ? -18.092 -15.087 30.850  1.00 89.03 161 A  1 
ATOM   1242 C CA  . GLN    A  1  161 ? -16.716 -15.569 30.953  1.00 88.85 161 A  1 
ATOM   1243 C C   . GLN    A  1  161 ? -16.615 -17.083 30.775  1.00 89.77 161 A  1 
ATOM   1244 O O   . GLN    A  1  161 ? -15.568 -17.676 31.038  1.00 85.93 161 A  1 
ATOM   1245 C CB  . GLN    A  1  161 ? -16.075 -15.143 32.277  1.00 86.14 161 A  1 
ATOM   1246 C CG  . GLN    A  1  161 ? -16.033 -13.635 32.475  1.00 78.62 161 A  1 
ATOM   1247 C CD  . GLN    A  1  161 ? -15.342 -13.233 33.762  1.00 72.41 161 A  1 
ATOM   1248 O OE1 . GLN    A  1  161 ? -14.523 -13.973 34.296  1.00 64.94 161 A  1 
ATOM   1249 N NE2 . GLN    A  1  161 ? -15.666 -12.052 34.267  1.00 62.25 161 A  1 
ATOM   1250 N N   . GLN    A  1  162 ? -17.687 -17.689 30.327  1.00 89.39 162 A  1 
ATOM   1251 C CA  . GLN    A  1  162 ? -17.699 -19.131 30.131  1.00 89.60 162 A  1 
ATOM   1252 C C   . GLN    A  1  162 ? -16.784 -19.536 28.980  1.00 89.98 162 A  1 
ATOM   1253 O O   . GLN    A  1  162 ? -16.935 -19.060 27.859  1.00 86.67 162 A  1 
ATOM   1254 C CB  . GLN    A  1  162 ? -19.121 -19.618 29.860  1.00 88.01 162 A  1 
ATOM   1255 C CG  . GLN    A  1  162 ? -19.232 -21.127 29.696  1.00 79.57 162 A  1 
ATOM   1256 C CD  . GLN    A  1  162 ? -20.658 -21.589 29.468  1.00 75.25 162 A  1 
ATOM   1257 O OE1 . GLN    A  1  162 ? -21.587 -20.783 29.427  1.00 67.87 162 A  1 
ATOM   1258 N NE2 . GLN    A  1  162 ? -20.845 -22.892 29.318  1.00 65.18 162 A  1 
ATOM   1259 N N   . ASN    A  1  163 ? -15.851 -20.413 29.289  1.00 88.43 163 A  1 
ATOM   1260 C CA  . ASN    A  1  163 ? -14.916 -20.977 28.318  1.00 89.34 163 A  1 
ATOM   1261 C C   . ASN    A  1  163 ? -13.951 -19.986 27.670  1.00 89.68 163 A  1 
ATOM   1262 O O   . ASN    A  1  163 ? -13.222 -20.358 26.753  1.00 85.04 163 A  1 
ATOM   1263 C CB  . ASN    A  1  163 ? -15.659 -21.742 27.215  1.00 87.43 163 A  1 
ATOM   1264 C CG  . ASN    A  1  163 ? -16.227 -23.054 27.706  1.00 86.81 163 A  1 
ATOM   1265 O OD1 . ASN    A  1  163 ? -15.743 -23.629 28.676  1.00 76.98 163 A  1 
ATOM   1266 N ND2 . ASN    A  1  163 ? -17.261 -23.539 27.028  1.00 77.58 163 A  1 
ATOM   1267 N N   . VAL    A  1  164 ? -13.935 -18.768 28.147  1.00 89.61 164 A  1 
ATOM   1268 C CA  . VAL    A  1  164 ? -13.014 -17.795 27.557  1.00 89.69 164 A  1 
ATOM   1269 C C   . VAL    A  1  164 ? -11.573 -18.225 27.812  1.00 89.50 164 A  1 
ATOM   1270 O O   . VAL    A  1  164 ? -10.737 -18.212 26.909  1.00 87.02 164 A  1 
ATOM   1271 C CB  . VAL    A  1  164 ? -13.264 -16.380 28.104  1.00 88.57 164 A  1 
ATOM   1272 C CG1 . VAL    A  1  164 ? -12.168 -15.424 27.650  1.00 78.96 164 A  1 
ATOM   1273 C CG2 . VAL    A  1  164 ? -14.619 -15.874 27.633  1.00 79.65 164 A  1 
ATOM   1274 N N   . LYS    A  1  165 ? -11.294 -18.603 29.033  1.00 89.90 165 A  1 
ATOM   1275 C CA  . LYS    A  1  165 ? -9.952  -19.068 29.354  1.00 89.28 165 A  1 
ATOM   1276 C C   . LYS    A  1  165 ? -9.648  -20.358 28.595  1.00 89.81 165 A  1 
ATOM   1277 O O   . LYS    A  1  165 ? -8.520  -20.580 28.158  1.00 87.98 165 A  1 
ATOM   1278 C CB  . LYS    A  1  165 ? -9.806  -19.293 30.858  1.00 87.29 165 A  1 
ATOM   1279 C CG  . LYS    A  1  165 ? -8.405  -19.689 31.291  1.00 79.66 165 A  1 
ATOM   1280 C CD  . LYS    A  1  165 ? -8.310  -19.837 32.800  1.00 73.99 165 A  1 
ATOM   1281 C CE  . LYS    A  1  165 ? -6.887  -20.141 33.240  1.00 65.44 165 A  1 
ATOM   1282 N NZ  . LYS    A  1  165 ? -6.398  -21.450 32.730  1.00 58.20 165 A  1 
ATOM   1283 N N   . ALA    A  1  166 ? -10.663 -21.193 28.441  1.00 90.62 166 A  1 
ATOM   1284 C CA  . ALA    A  1  166 ? -10.492 -22.455 27.730  1.00 91.00 166 A  1 
ATOM   1285 C C   . ALA    A  1  166 ? -10.072 -22.236 26.280  1.00 91.59 166 A  1 
ATOM   1286 O O   . ALA    A  1  166 ? -9.320  -23.035 25.724  1.00 88.92 166 A  1 
ATOM   1287 C CB  . ALA    A  1  166 ? -11.778 -23.268 27.785  1.00 89.98 166 A  1 
ATOM   1288 N N   . VAL    A  1  167 ? -10.568 -21.170 25.688  1.00 90.05 167 A  1 
ATOM   1289 C CA  . VAL    A  1  167 ? -10.217 -20.863 24.302  1.00 90.25 167 A  1 
ATOM   1290 C C   . VAL    A  1  167 ? -8.708  -20.714 24.150  1.00 90.20 167 A  1 
ATOM   1291 O O   . VAL    A  1  167 ? -8.085  -21.346 23.293  1.00 88.07 167 A  1 
ATOM   1292 C CB  . VAL    A  1  167 ? -10.909 -19.575 23.822  1.00 89.51 167 A  1 
ATOM   1293 C CG1 . VAL    A  1  167 ? -10.330 -19.114 22.488  1.00 79.67 167 A  1 
ATOM   1294 C CG2 . VAL    A  1  167 ? -12.407 -19.800 23.693  1.00 81.10 167 A  1 
ATOM   1295 N N   . PHE    A  1  168 ? -8.137  -19.881 24.980  1.00 90.38 168 A  1 
ATOM   1296 C CA  . PHE    A  1  168 ? -6.714  -19.604 24.854  1.00 89.91 168 A  1 
ATOM   1297 C C   . PHE    A  1  168 ? -5.836  -20.705 25.432  1.00 90.12 168 A  1 
ATOM   1298 O O   . PHE    A  1  168 ? -4.732  -20.933 24.938  1.00 86.86 168 A  1 
ATOM   1299 C CB  . PHE    A  1  168 ? -6.410  -18.240 25.454  1.00 88.52 168 A  1 
ATOM   1300 C CG  . PHE    A  1  168 ? -7.122  -17.134 24.732  1.00 87.84 168 A  1 
ATOM   1301 C CD1 . PHE    A  1  168 ? -6.634  -16.656 23.527  1.00 81.17 168 A  1 
ATOM   1302 C CD2 . PHE    A  1  168 ? -8.315  -16.623 25.216  1.00 81.32 168 A  1 
ATOM   1303 C CE1 . PHE    A  1  168 ? -7.316  -15.676 22.828  1.00 79.93 168 A  1 
ATOM   1304 C CE2 . PHE    A  1  168 ? -9.002  -15.644 24.517  1.00 78.31 168 A  1 
ATOM   1305 C CZ  . PHE    A  1  168 ? -8.500  -15.168 23.321  1.00 82.45 168 A  1 
ATOM   1306 N N   . ASP    A  1  169 ? -6.336  -21.381 26.432  1.00 89.95 169 A  1 
ATOM   1307 C CA  . ASP    A  1  169 ? -5.593  -22.530 26.947  1.00 89.44 169 A  1 
ATOM   1308 C C   . ASP    A  1  169 ? -5.495  -23.592 25.854  1.00 90.07 169 A  1 
ATOM   1309 O O   . ASP    A  1  169 ? -4.445  -24.201 25.656  1.00 88.07 169 A  1 
ATOM   1310 C CB  . ASP    A  1  169 ? -6.282  -23.123 28.175  1.00 87.43 169 A  1 
ATOM   1311 C CG  . ASP    A  1  169 ? -6.081  -22.290 29.430  1.00 83.06 169 A  1 
ATOM   1312 O OD1 . ASP    A  1  169 ? -5.260  -21.354 29.415  1.00 75.70 169 A  1 
ATOM   1313 O OD2 . ASP    A  1  169 ? -6.747  -22.591 30.442  1.00 76.03 169 A  1 
ATOM   1314 N N   . THR    A  1  170 ? -6.595  -23.787 25.152  1.00 90.27 170 A  1 
ATOM   1315 C CA  . THR    A  1  170 ? -6.615  -24.763 24.068  1.00 90.69 170 A  1 
ATOM   1316 C C   . THR    A  1  170 ? -5.689  -24.330 22.936  1.00 91.00 170 A  1 
ATOM   1317 O O   . THR    A  1  170 ? -4.968  -25.151 22.366  1.00 88.92 170 A  1 
ATOM   1318 C CB  . THR    A  1  170 ? -8.039  -24.955 23.529  1.00 90.08 170 A  1 
ATOM   1319 O OG1 . THR    A  1  170 ? -8.880  -25.443 24.579  1.00 78.35 170 A  1 
ATOM   1320 C CG2 . THR    A  1  170 ? -8.059  -25.944 22.374  1.00 76.35 170 A  1 
ATOM   1321 N N   . ALA    A  1  171 ? -5.725  -23.060 22.631  1.00 90.71 171 A  1 
ATOM   1322 C CA  . ALA    A  1  171 ? -4.855  -22.544 21.577  1.00 90.54 171 A  1 
ATOM   1323 C C   . ALA    A  1  171 ? -3.390  -22.816 21.917  1.00 90.43 171 A  1 
ATOM   1324 O O   . ALA    A  1  171 ? -2.617  -23.260 21.065  1.00 88.33 171 A  1 
ATOM   1325 C CB  . ALA    A  1  171 ? -5.084  -21.052 21.388  1.00 89.93 171 A  1 
ATOM   1326 N N   . ILE    A  1  172 ? -3.029  -22.562 23.151  1.00 89.85 172 A  1 
ATOM   1327 C CA  . ILE    A  1  172 ? -1.654  -22.804 23.582  1.00 89.21 172 A  1 
ATOM   1328 C C   . ILE    A  1  172 ? -1.324  -24.291 23.483  1.00 88.64 172 A  1 
ATOM   1329 O O   . ILE    A  1  172 ? -0.255  -24.669 22.995  1.00 86.57 172 A  1 
ATOM   1330 C CB  . ILE    A  1  172 ? -1.433  -22.302 25.019  1.00 88.09 172 A  1 
ATOM   1331 C CG1 . ILE    A  1  172 ? -1.528  -20.772 25.058  1.00 81.49 172 A  1 
ATOM   1332 C CG2 . ILE    A  1  172 ? -0.081  -22.766 25.546  1.00 80.96 172 A  1 
ATOM   1333 C CD1 . ILE    A  1  172 ? -1.611  -20.192 26.452  1.00 77.20 172 A  1 
ATOM   1334 N N   . LYS    A  1  173 ? -2.238  -25.120 23.927  1.00 89.78 173 A  1 
ATOM   1335 C CA  . LYS    A  1  173 ? -2.013  -26.562 23.879  1.00 89.18 173 A  1 
ATOM   1336 C C   . LYS    A  1  173 ? -1.807  -27.050 22.451  1.00 88.97 173 A  1 
ATOM   1337 O O   . LYS    A  1  173 ? -0.957  -27.902 22.200  1.00 86.43 173 A  1 
ATOM   1338 C CB  . LYS    A  1  173 ? -3.184  -27.308 24.517  1.00 87.99 173 A  1 
ATOM   1339 C CG  . LYS    A  1  173 ? -3.277  -27.143 26.024  1.00 81.60 173 A  1 
ATOM   1340 C CD  . LYS    A  1  173 ? -4.485  -27.867 26.585  1.00 77.24 173 A  1 
ATOM   1341 C CE  . LYS    A  1  173 ? -4.608  -27.657 28.085  1.00 69.39 173 A  1 
ATOM   1342 N NZ  . LYS    A  1  173 ? -5.812  -28.327 28.649  1.00 62.23 173 A  1 
ATOM   1343 N N   . VAL    A  1  174 ? -2.588  -26.515 21.540  1.00 89.13 174 A  1 
ATOM   1344 C CA  . VAL    A  1  174 ? -2.458  -26.914 20.139  1.00 88.99 174 A  1 
ATOM   1345 C C   . VAL    A  1  174 ? -1.062  -26.581 19.620  1.00 88.46 174 A  1 
ATOM   1346 O O   . VAL    A  1  174 ? -0.446  -27.378 18.909  1.00 85.98 174 A  1 
ATOM   1347 C CB  . VAL    A  1  174 ? -3.527  -26.234 19.265  1.00 88.72 174 A  1 
ATOM   1348 C CG1 . VAL    A  1  174 ? -3.241  -26.458 17.784  1.00 80.18 174 A  1 
ATOM   1349 C CG2 . VAL    A  1  174 ? -4.907  -26.774 19.611  1.00 81.02 174 A  1 
ATOM   1350 N N   . VAL    A  1  175 ? -0.582  -25.422 19.980  1.00 88.68 175 A  1 
ATOM   1351 C CA  . VAL    A  1  175 ? 0.751   -25.010 19.536  1.00 87.52 175 A  1 
ATOM   1352 C C   . VAL    A  1  175 ? 1.832   -25.895 20.147  1.00 85.69 175 A  1 
ATOM   1353 O O   . VAL    A  1  175 ? 2.838   -26.203 19.501  1.00 81.66 175 A  1 
ATOM   1354 C CB  . VAL    A  1  175 ? 1.023   -23.538 19.887  1.00 87.12 175 A  1 
ATOM   1355 C CG1 . VAL    A  1  175 ? 2.462   -23.160 19.559  1.00 78.35 175 A  1 
ATOM   1356 C CG2 . VAL    A  1  175 ? 0.063   -22.635 19.137  1.00 80.15 175 A  1 
ATOM   1357 N N   . LEU    A  1  176 ? 1.621   -26.296 21.379  1.00 86.89 176 A  1 
ATOM   1358 C CA  . LEU    A  1  176 ? 2.616   -27.099 22.082  1.00 84.51 176 A  1 
ATOM   1359 C C   . LEU    A  1  176 ? 2.569   -28.589 21.745  1.00 81.18 176 A  1 
ATOM   1360 O O   . LEU    A  1  176 ? 3.449   -29.337 22.171  1.00 74.32 176 A  1 
ATOM   1361 C CB  . LEU    A  1  176 ? 2.463   -26.917 23.591  1.00 82.88 176 A  1 
ATOM   1362 C CG  . LEU    A  1  176 ? 2.705   -25.506 24.135  1.00 79.81 176 A  1 
ATOM   1363 C CD1 . LEU    A  1  176 ? 2.373   -25.448 25.613  1.00 74.03 176 A  1 
ATOM   1364 C CD2 . LEU    A  1  176 ? 4.143   -25.079 23.894  1.00 74.37 176 A  1 
ATOM   1365 N N   . GLN    A  1  177 ? 1.581   -29.004 20.997  1.00 83.25 177 A  1 
ATOM   1366 C CA  . GLN    A  1  177 ? 1.458   -30.426 20.667  1.00 79.90 177 A  1 
ATOM   1367 C C   . GLN    A  1  177 ? 2.619   -30.985 19.841  1.00 77.71 177 A  1 
ATOM   1368 O O   . GLN    A  1  177 ? 3.162   -32.035 20.186  1.00 69.09 177 A  1 
ATOM   1369 C CB  . GLN    A  1  177 ? 0.144   -30.713 19.945  1.00 75.37 177 A  1 
ATOM   1370 C CG  . GLN    A  1  177 ? -1.086  -30.645 20.827  1.00 66.28 177 A  1 
ATOM   1371 C CD  . GLN    A  1  177 ? -1.123  -31.723 21.884  1.00 61.79 177 A  1 
ATOM   1372 O OE1 . GLN    A  1  177 ? -0.306  -32.640 21.894  1.00 55.43 177 A  1 
ATOM   1373 N NE2 . GLN    A  1  177 ? -2.083  -31.622 22.791  1.00 53.07 177 A  1 
ATOM   1374 N N   . PRO    A  1  178 ? 2.990   -30.335 18.769  1.00 74.40 178 A  1 
ATOM   1375 C CA  . PRO    A  1  178 ? 4.059   -30.877 17.907  1.00 70.64 178 A  1 
ATOM   1376 C C   . PRO    A  1  178 ? 5.328   -31.319 18.634  1.00 69.26 178 A  1 
ATOM   1377 O O   . PRO    A  1  178 ? 5.825   -32.416 18.368  1.00 62.42 178 A  1 
ATOM   1378 C CB  . PRO    A  1  178 ? 4.339   -29.729 16.939  1.00 64.93 178 A  1 
ATOM   1379 C CG  . PRO    A  1  178 ? 3.060   -28.976 16.893  1.00 60.81 178 A  1 
ATOM   1380 C CD  . PRO    A  1  178 ? 2.452   -29.089 18.258  1.00 63.99 178 A  1 
ATOM   1381 N N   . PRO    A  1  179 ? 5.845   -30.510 19.537  1.00 61.88 179 A  1 
ATOM   1382 C CA  . PRO    A  1  179 ? 7.065   -30.931 20.239  1.00 58.58 179 A  1 
ATOM   1383 C C   . PRO    A  1  179 ? 6.855   -32.173 21.100  1.00 58.06 179 A  1 
ATOM   1384 O O   . PRO    A  1  179 ? 7.792   -32.927 21.344  1.00 52.94 179 A  1 
ATOM   1385 C CB  . PRO    A  1  179 ? 7.408   -29.728 21.117  1.00 51.94 179 A  1 
ATOM   1386 C CG  . PRO    A  1  179 ? 6.675   -28.586 20.521  1.00 49.51 179 A  1 
ATOM   1387 C CD  . PRO    A  1  179 ? 5.443   -29.160 19.904  1.00 51.57 179 A  1 
ATOM   1388 N N   . ARG    A  1  180 ? 5.635   -32.353 21.546  1.00 52.57 180 A  1 
ATOM   1389 C CA  . ARG    A  1  180 ? 5.323   -33.477 22.415  1.00 52.30 180 A  1 
ATOM   1390 C C   . ARG    A  1  180 ? 4.999   -34.754 21.647  1.00 50.54 180 A  1 
ATOM   1391 O O   . ARG    A  1  180 ? 4.741   -35.795 22.251  1.00 47.11 180 A  1 
ATOM   1392 C CB  . ARG    A  1  180 ? 4.152   -33.112 23.329  1.00 48.73 180 A  1 
ATOM   1393 C CG  . ARG    A  1  180 ? 4.441   -31.919 24.228  1.00 45.09 180 A  1 
ATOM   1394 C CD  . ARG    A  1  180 ? 3.213   -31.503 25.009  1.00 42.38 180 A  1 
ATOM   1395 N NE  . ARG    A  1  180 ? 2.782   -32.526 25.944  1.00 38.49 180 A  1 
ATOM   1396 C CZ  . ARG    A  1  180 ? 1.685   -32.442 26.693  1.00 34.49 180 A  1 
ATOM   1397 N NH1 . ARG    A  1  180 ? 0.905   -31.376 26.619  1.00 32.79 180 A  1 
ATOM   1398 N NH2 . ARG    A  1  180 ? 1.371   -33.424 27.514  1.00 30.41 180 A  1 
ATOM   1399 N N   . ARG    A  1  181 ? 5.020   -34.669 20.345  1.00 50.69 181 A  1 
ATOM   1400 C CA  . ARG    A  1  181 ? 4.702   -35.820 19.514  1.00 51.07 181 A  1 
ATOM   1401 C C   . ARG    A  1  181 ? 5.820   -36.072 18.513  1.00 50.65 181 A  1 
ATOM   1402 O O   . ARG    A  1  181 ? 6.670   -35.218 18.284  1.00 47.97 181 A  1 
ATOM   1403 C CB  . ARG    A  1  181 ? 3.380   -35.595 18.781  1.00 47.27 181 A  1 
ATOM   1404 C CG  . ARG    A  1  181 ? 2.194   -35.469 19.716  1.00 43.43 181 A  1 
ATOM   1405 C CD  . ARG    A  1  181 ? 0.895   -35.287 18.960  1.00 41.32 181 A  1 
ATOM   1406 N NE  . ARG    A  1  181 ? -0.236  -35.114 19.868  1.00 36.92 181 A  1 
ATOM   1407 C CZ  . ARG    A  1  181 ? -0.852  -36.098 20.500  1.00 33.14 181 A  1 
ATOM   1408 N NH1 . ARG    A  1  181 ? -0.456  -37.350 20.328  1.00 31.66 181 A  1 
ATOM   1409 N NH2 . ARG    A  1  181 ? -1.863  -35.835 21.305  1.00 29.23 181 A  1 
ATOM   1410 N N   . LYS    A  1  182 ? 5.792   -37.254 17.949  1.00 48.75 182 A  1 
ATOM   1411 C CA  . LYS    A  1  182 ? 6.812   -37.612 16.978  1.00 50.30 182 A  1 
ATOM   1412 C C   . LYS    A  1  182 ? 6.772   -36.643 15.805  1.00 50.26 182 A  1 
ATOM   1413 O O   . LYS    A  1  182 ? 5.706   -36.354 15.265  1.00 47.97 182 A  1 
ATOM   1414 C CB  . LYS    A  1  182 ? 6.605   -39.040 16.484  1.00 46.91 182 A  1 
ATOM   1415 C CG  . LYS    A  1  182 ? 7.674   -39.513 15.517  1.00 43.00 182 A  1 
ATOM   1416 C CD  . LYS    A  1  182 ? 7.450   -40.950 15.108  1.00 39.96 182 A  1 
ATOM   1417 C CE  . LYS    A  1  182 ? 8.523   -41.411 14.134  1.00 34.27 182 A  1 
ATOM   1418 N NZ  . LYS    A  1  182 ? 8.331   -42.824 13.723  1.00 30.83 182 A  1 
ATOM   1419 N N   . GLU    A  1  183 ? 7.932   -36.188 15.449  1.00 51.68 183 A  1 
ATOM   1420 C CA  . GLU    A  1  183 ? 8.017   -35.253 14.340  1.00 52.57 183 A  1 
ATOM   1421 C C   . GLU    A  1  183 ? 7.757   -35.974 13.027  1.00 51.48 183 A  1 
ATOM   1422 O O   . GLU    A  1  183 ? 8.328   -37.030 12.760  1.00 49.49 183 A  1 
ATOM   1423 C CB  . GLU    A  1  183 ? 9.385   -34.575 14.311  1.00 49.71 183 A  1 
ATOM   1424 C CG  . GLU    A  1  183 ? 9.525   -33.523 13.217  1.00 45.61 183 A  1 
ATOM   1425 C CD  . GLU    A  1  183 ? 10.867  -32.818 13.240  1.00 42.85 183 A  1 
ATOM   1426 O OE1 . GLU    A  1  183 ? 11.682  -33.132 14.128  1.00 39.33 183 A  1 
ATOM   1427 O OE2 . GLU    A  1  183 ? 11.097  -31.961 12.367  1.00 40.04 183 A  1 
ATOM   1428 N N   . VAL    A  1  184 ? 6.911   -35.374 12.231  1.00 54.14 184 A  1 
ATOM   1429 C CA  . VAL    A  1  184 ? 6.579   -35.940 10.933  1.00 56.17 184 A  1 
ATOM   1430 C C   . VAL    A  1  184 ? 7.421   -35.235 9.880   1.00 55.51 184 A  1 
ATOM   1431 O O   . VAL    A  1  184 ? 7.577   -34.015 9.933   1.00 52.72 184 A  1 
ATOM   1432 C CB  . VAL    A  1  184 ? 5.088   -35.751 10.619  1.00 52.79 184 A  1 
ATOM   1433 C CG1 . VAL    A  1  184 ? 4.761   -36.270 9.226   1.00 47.49 184 A  1 
ATOM   1434 C CG2 . VAL    A  1  184 ? 4.246   -36.466 11.666  1.00 48.77 184 A  1 
ATOM   1435 N N   . PRO    A  1  185 ? 7.945   -35.985 8.941   1.00 56.86 185 A  1 
ATOM   1436 C CA  . PRO    A  1  185 ? 8.758   -35.342 7.910   1.00 58.05 185 A  1 
ATOM   1437 C C   . PRO    A  1  185 ? 7.954   -34.283 7.172   1.00 57.85 185 A  1 
ATOM   1438 O O   . PRO    A  1  185 ? 6.845   -34.544 6.706   1.00 55.06 185 A  1 
ATOM   1439 C CB  . PRO    A  1  185 ? 9.151   -36.498 6.986   1.00 55.37 185 A  1 
ATOM   1440 C CG  . PRO    A  1  185 ? 8.171   -37.570 7.277   1.00 54.30 185 A  1 
ATOM   1441 C CD  . PRO    A  1  185 ? 7.831   -37.420 8.734   1.00 58.11 185 A  1 
ATOM   1442 N N   . ARG    A  1  186 ? 8.518   -33.121 7.106   1.00 56.34 186 A  1 
ATOM   1443 C CA  . ARG    A  1  186 ? 7.836   -32.018 6.458   1.00 58.78 186 A  1 
ATOM   1444 C C   . ARG    A  1  186 ? 7.759   -32.236 4.957   1.00 56.77 186 A  1 
ATOM   1445 O O   . ARG    A  1  186 ? 8.755   -32.559 4.314   1.00 54.22 186 A  1 
ATOM   1446 C CB  . ARG    A  1  186 ? 8.546   -30.704 6.760   1.00 55.76 186 A  1 
ATOM   1447 C CG  . ARG    A  1  186 ? 7.832   -29.485 6.207   1.00 51.70 186 A  1 
ATOM   1448 C CD  . ARG    A  1  186 ? 8.525   -28.217 6.640   1.00 49.77 186 A  1 
ATOM   1449 N NE  . ARG    A  1  186 ? 7.850   -27.027 6.127   1.00 44.16 186 A  1 
ATOM   1450 C CZ  . ARG    A  1  186 ? 8.212   -25.774 6.377   1.00 41.37 186 A  1 
ATOM   1451 N NH1 . ARG    A  1  186 ? 9.257   -25.532 7.145   1.00 39.23 186 A  1 
ATOM   1452 N NH2 . ARG    A  1  186 ? 7.535   -24.770 5.863   1.00 36.82 186 A  1 
ATOM   1453 N N   . ARG    A  1  187 ? 6.581   -32.034 4.432   1.00 54.09 187 A  1 
ATOM   1454 C CA  . ARG    A  1  187 ? 6.376   -32.192 3.001   1.00 57.51 187 A  1 
ATOM   1455 C C   . ARG    A  1  187 ? 7.009   -31.022 2.260   1.00 55.18 187 A  1 
ATOM   1456 O O   . ARG    A  1  187 ? 7.281   -29.972 2.846   1.00 53.45 187 A  1 
ATOM   1457 C CB  . ARG    A  1  187 ? 4.882   -32.242 2.682   1.00 54.34 187 A  1 
ATOM   1458 C CG  . ARG    A  1  187 ? 4.147   -30.988 3.093   1.00 50.53 187 A  1 
ATOM   1459 C CD  . ARG    A  1  187 ? 2.686   -31.050 2.706   1.00 48.74 187 A  1 
ATOM   1460 N NE  . ARG    A  1  187 ? 2.507   -31.064 1.262   1.00 43.87 187 A  1 
ATOM   1461 C CZ  . ARG    A  1  187 ? 1.325   -31.050 0.650   1.00 40.81 187 A  1 
ATOM   1462 N NH1 . ARG    A  1  187 ? 0.212   -31.016 1.357   1.00 38.78 187 A  1 
ATOM   1463 N NH2 . ARG    A  1  187 ? 1.260   -31.073 -0.669  1.00 36.95 187 A  1 
ATOM   1464 N N   . ARG    A  1  188 ? 7.212   -31.208 0.996   1.00 51.50 188 A  1 
ATOM   1465 C CA  . ARG    A  1  188 ? 7.782   -30.147 0.184   1.00 55.10 188 A  1 
ATOM   1466 C C   . ARG    A  1  188 ? 6.829   -28.957 0.218   1.00 52.98 188 A  1 
ATOM   1467 O O   . ARG    A  1  188 ? 5.631   -29.110 -0.007  1.00 50.56 188 A  1 
ATOM   1468 C CB  . ARG    A  1  188 ? 7.977   -30.619 -1.252  1.00 52.49 188 A  1 
ATOM   1469 C CG  . ARG    A  1  188 ? 8.593   -29.573 -2.155  1.00 48.57 188 A  1 
ATOM   1470 C CD  . ARG    A  1  188 ? 8.712   -30.077 -3.572  1.00 45.74 188 A  1 
ATOM   1471 N NE  . ARG    A  1  188 ? 9.620   -31.208 -3.677  1.00 41.11 188 A  1 
ATOM   1472 C CZ  . ARG    A  1  188 ? 9.789   -31.939 -4.778  1.00 38.13 188 A  1 
ATOM   1473 N NH1 . ARG    A  1  188 ? 9.119   -31.658 -5.874  1.00 35.91 188 A  1 
ATOM   1474 N NH2 . ARG    A  1  188 ? 10.634  -32.953 -4.772  1.00 34.23 188 A  1 
ATOM   1475 N N   . LYS    A  1  189 ? 7.375   -27.812 0.489   1.00 53.28 189 A  1 
ATOM   1476 C CA  . LYS    A  1  189 ? 6.545   -26.621 0.546   1.00 54.81 189 A  1 
ATOM   1477 C C   . LYS    A  1  189 ? 6.075   -26.242 -0.850  1.00 52.71 189 A  1 
ATOM   1478 O O   . LYS    A  1  189 ? 6.863   -26.229 -1.801  1.00 50.09 189 A  1 
ATOM   1479 C CB  . LYS    A  1  189 ? 7.306   -25.461 1.177   1.00 52.67 189 A  1 
ATOM   1480 C CG  . LYS    A  1  189 ? 8.515   -25.013 0.388   1.00 49.66 189 A  1 
ATOM   1481 C CD  . LYS    A  1  189 ? 9.230   -23.866 1.070   1.00 47.09 189 A  1 
ATOM   1482 C CE  . LYS    A  1  189 ? 10.436  -23.413 0.267   1.00 42.33 189 A  1 
ATOM   1483 N NZ  . LYS    A  1  189 ? 11.150  -22.284 0.919   1.00 40.74 189 A  1 
ATOM   1484 N N   . ASN    A  1  190 ? 4.810   -25.938 -0.956  1.00 59.64 190 A  1 
ATOM   1485 C CA  . ASN    A  1  190 ? 4.259   -25.535 -2.241  1.00 61.92 190 A  1 
ATOM   1486 C C   . ASN    A  1  190 ? 4.550   -24.068 -2.483  1.00 61.74 190 A  1 
ATOM   1487 O O   . ASN    A  1  190 ? 4.221   -23.224 -1.655  1.00 56.81 190 A  1 
ATOM   1488 C CB  . ASN    A  1  190 ? 2.756   -25.778 -2.280  1.00 57.61 190 A  1 
ATOM   1489 C CG  . ASN    A  1  190 ? 2.415   -27.251 -2.302  1.00 53.13 190 A  1 
ATOM   1490 O OD1 . ASN    A  1  190 ? 3.205   -28.076 -2.754  1.00 48.80 190 A  1 
ATOM   1491 N ND2 . ASN    A  1  190 ? 1.230   -27.585 -1.819  1.00 49.78 190 A  1 
ATOM   1492 N N   . HIS    A  1  191 ? 5.152   -23.803 -3.596  1.00 59.45 191 A  1 
ATOM   1493 C CA  . HIS    A  1  191 ? 5.456   -22.431 -3.932  1.00 59.62 191 A  1 
ATOM   1494 C C   . HIS    A  1  191 ? 4.179   -21.717 -4.345  1.00 56.59 191 A  1 
ATOM   1495 O O   . HIS    A  1  191 ? 3.318   -22.296 -4.997  1.00 54.43 191 A  1 
ATOM   1496 C CB  . HIS    A  1  191 ? 6.472   -22.379 -5.067  1.00 57.87 191 A  1 
ATOM   1497 C CG  . HIS    A  1  191 ? 5.988   -22.998 -6.332  1.00 55.03 191 A  1 
ATOM   1498 N ND1 . HIS    A  1  191 ? 5.146   -22.359 -7.197  1.00 49.73 191 A  1 
ATOM   1499 C CD2 . HIS    A  1  191 ? 6.222   -24.220 -6.857  1.00 50.03 191 A  1 
ATOM   1500 C CE1 . HIS    A  1  191 ? 4.872   -23.166 -8.216  1.00 48.59 191 A  1 
ATOM   1501 N NE2 . HIS    A  1  191 ? 5.513   -24.304 -8.035  1.00 48.08 191 A  1 
ATOM   1502 N N   . ARG    A  1  192 ? 4.080   -20.485 -3.959  1.00 54.78 192 A  1 
ATOM   1503 C CA  . ARG    A  1  192 ? 2.937   -19.672 -4.335  1.00 57.47 192 A  1 
ATOM   1504 C C   . ARG    A  1  192 ? 3.454   -18.314 -4.750  1.00 55.57 192 A  1 
ATOM   1505 O O   . ARG    A  1  192 ? 4.294   -17.739 -4.062  1.00 52.31 192 A  1 
ATOM   1506 C CB  . ARG    A  1  192 ? 1.972   -19.495 -3.169  1.00 54.67 192 A  1 
ATOM   1507 C CG  . ARG    A  1  192 ? 1.268   -20.759 -2.755  1.00 50.53 192 A  1 
ATOM   1508 C CD  . ARG    A  1  192 ? 0.258   -20.465 -1.673  1.00 47.66 192 A  1 
ATOM   1509 N NE  . ARG    A  1  192 ? 0.882   -19.858 -0.510  1.00 43.44 192 A  1 
ATOM   1510 C CZ  . ARG    A  1  192 ? 0.214   -19.354 0.527   1.00 40.52 192 A  1 
ATOM   1511 N NH1 . ARG    A  1  192 ? -1.104  -19.392 0.545   1.00 38.42 192 A  1 
ATOM   1512 N NH2 . ARG    A  1  192 ? 0.871   -18.814 1.539   1.00 36.42 192 A  1 
ATOM   1513 N N   . ARG    A  1  193 ? 2.943   -17.849 -5.830  1.00 54.65 193 A  1 
ATOM   1514 C CA  . ARG    A  1  193 ? 3.394   -16.551 -6.286  1.00 58.22 193 A  1 
ATOM   1515 C C   . ARG    A  1  193 ? 2.794   -15.493 -5.379  1.00 57.34 193 A  1 
ATOM   1516 O O   . ARG    A  1  193 ? 1.581   -15.321 -5.340  1.00 53.50 193 A  1 
ATOM   1517 C CB  . ARG    A  1  193 ? 2.980   -16.304 -7.721  1.00 55.53 193 A  1 
ATOM   1518 C CG  . ARG    A  1  193 ? 3.552   -15.022 -8.271  1.00 51.63 193 A  1 
ATOM   1519 C CD  . ARG    A  1  193 ? 3.274   -14.872 -9.739  1.00 49.53 193 A  1 
ATOM   1520 N NE  . ARG    A  1  193 ? 3.935   -13.695 -10.283 1.00 44.40 193 A  1 
ATOM   1521 C CZ  . ARG    A  1  193 ? 3.914   -13.337 -11.562 1.00 40.66 193 A  1 
ATOM   1522 N NH1 . ARG    A  1  193 ? 3.246   -14.063 -12.437 1.00 37.73 193 A  1 
ATOM   1523 N NH2 . ARG    A  1  193 ? 4.559   -12.258 -11.955 1.00 36.02 193 A  1 
ATOM   1524 N N   . SER    A  1  194 ? 3.649   -14.816 -4.686  1.00 61.94 194 A  1 
ATOM   1525 C CA  . SER    A  1  194 ? 3.197   -13.772 -3.778  1.00 64.94 194 A  1 
ATOM   1526 C C   . SER    A  1  194 ? 3.179   -12.466 -4.527  1.00 65.33 194 A  1 
ATOM   1527 O O   . SER    A  1  194 ? 4.221   -11.886 -4.776  1.00 59.08 194 A  1 
ATOM   1528 C CB  . SER    A  1  194 ? 4.134   -13.677 -2.586  1.00 60.64 194 A  1 
ATOM   1529 O OG  . SER    A  1  194 ? 5.450   -13.442 -3.010  1.00 53.60 194 A  1 
ATOM   1530 N N   . GLY    A  1  195 ? 1.999   -12.087 -4.907  1.00 64.73 195 A  1 
ATOM   1531 C CA  . GLY    A  1  195 ? 1.683   -10.884 -5.608  1.00 67.82 195 A  1 
ATOM   1532 C C   . GLY    A  1  195 ? 2.816   -10.044 -6.052  1.00 68.29 195 A  1 
ATOM   1533 O O   . GLY    A  1  195 ? 3.647   -10.447 -6.832  1.00 62.36 195 A  1 
ATOM   1534 N N   . CYS    A  1  196 ? 2.870   -8.923  -5.756  1.00 66.80 196 A  1 
ATOM   1535 C CA  . CYS    A  1  196 ? 3.708   -7.997  -5.925  1.00 72.79 196 A  1 
ATOM   1536 C C   . CYS    A  1  196 ? 3.172   -6.999  -5.723  1.00 69.61 196 A  1 
ATOM   1537 O O   . CYS    A  1  196 ? 2.446   -7.417  -5.533  1.00 64.10 196 A  1 
ATOM   1538 C CB  . CYS    A  1  196 ? 4.243   -7.614  -6.973  1.00 68.84 196 A  1 
ATOM   1539 S SG  . CYS    A  1  196 ? 3.910   -6.976  -7.520  1.00 67.38 196 A  1 
ATOM   1540 O OXT . CYS    A  1  196 ? 3.537   -6.372  -5.890  1.00 64.56 196 A  1 
HETATM 1541 C C1  . FAR    B  2  .   ? 3.959   -5.824  -8.754  1.00 27.89 1   B  1 
HETATM 1542 C C2  . FAR    B  2  .   ? 4.169   -4.854  -9.343  1.00 18.33 1   B  1 
HETATM 1543 C C3  . FAR    B  2  .   ? 4.850   -3.909  -9.351  1.00 13.09 1   B  1 
HETATM 1544 C C5  . FAR    B  2  .   ? 4.763   -3.033  -10.334 1.00 8.87  1   B  1 
HETATM 1545 C C6  . FAR    B  2  .   ? 5.301   -2.161  -10.657 1.00 6.24  1   B  1 
HETATM 1546 C C7  . FAR    B  2  .   ? 5.279   -1.356  -11.582 1.00 5.00  1   B  1 
HETATM 1547 C C8  . FAR    B  2  .   ? 5.881   -0.389  -11.859 1.00 4.87  1   B  1 
HETATM 1548 C C9  . FAR    B  2  .   ? 5.687   0.297   -12.944 1.00 5.05  1   B  1 
HETATM 1549 C C11 . FAR    B  2  .   ? 6.202   1.195   -13.474 1.00 4.24  1   B  1 
HETATM 1550 C C12 . FAR    B  2  .   ? 6.106   1.841   -14.467 1.00 3.85  1   B  1 
HETATM 1551 C C13 . FAR    B  2  .   ? 6.552   2.773   -15.015 1.00 2.15  1   B  1 
HETATM 1552 C C14 . FAR    B  2  .   ? 6.094   3.260   -16.234 1.00 2.93  1   B  1 
HETATM 1553 C C15 . FAR    B  2  .   ? 7.625   3.529   -14.459 1.00 3.40  1   B  1 
HETATM 1554 C C4  . FAR    B  2  .   ? 5.804   -3.684  -8.318  1.00 9.23  1   B  1 
HETATM 1555 C C10 . FAR    B  2  .   ? 6.883   0.031   -10.959 1.00 4.49  1   B  1 
HETATM 1556 C C1  . LIG_C  C  3  .   ? 14.622  1.754   -20.314 1.00 1.98  1   C  1 
HETATM 1557 C C2  . LIG_C  C  3  .   ? 13.618  1.641   -20.660 1.00 1.89  1   C  1 
HETATM 1558 C C3  . LIG_C  C  3  .   ? 12.577  1.283   -20.347 1.00 1.89  1   C  1 
HETATM 1559 C C4  . LIG_C  C  3  .   ? 11.953  0.838   -19.536 1.00 2.07  1   C  1 
HETATM 1560 C C5  . LIG_C  C  3  .   ? 11.470  0.391   -18.630 1.00 1.93  1   C  1 
HETATM 1561 C C6  . LIG_C  C  3  .   ? 11.150  -0.087  -17.645 1.00 1.75  1   C  1 
HETATM 1562 C C7  . LIG_C  C  3  .   ? 10.912  -0.584  -16.671 1.00 1.90  1   C  1 
HETATM 1563 C C8  . LIG_C  C  3  .   ? 10.738  -1.106  -15.684 1.00 1.81  1   C  1 
HETATM 1564 C C9  . LIG_C  C  3  .   ? 10.584  -1.648  -14.721 1.00 2.02  1   C  1 
HETATM 1565 C C10 . LIG_C  C  3  .   ? 10.437  -2.229  -13.733 1.00 2.15  1   C  1 
HETATM 1566 C C11 . LIG_C  C  3  .   ? 10.294  -2.810  -12.783 1.00 2.05  1   C  1 
HETATM 1567 C C12 . LIG_C  C  3  .   ? 10.178  -3.414  -11.820 1.00 2.29  1   C  1 
HETATM 1568 C C13 . LIG_C  C  3  .   ? 10.038  -4.025  -10.898 1.00 1.77  1   C  1 
HETATM 1569 C C14 . LIG_C  C  3  .   ? 9.954   -4.666  -9.955  1.00 1.80  1   C  1 
HETATM 1570 C C15 . LIG_C  C  3  .   ? 9.811   -5.293  -9.081  1.00 1.95  1   C  1 
HETATM 1571 C C16 . LIG_C  C  3  .   ? 9.789   -5.930  -8.105  1.00 2.09  1   C  1 
HETATM 1572 C C17 . LIG_C  C  3  .   ? 9.620   -6.533  -7.285  1.00 1.68  1   C  1 
HETATM 1573 C C18 . LIG_C  C  3  .   ? 9.773   -7.149  -6.170  1.00 1.87  1   C  1 
HETATM 1574 O O1  . LIG_C  C  3  .   ? 9.106   -6.872  -5.255  1.00 2.90  1   C  1 
HETATM 1575 O O2  . LIG_C  C  3  .   ? 10.670  -7.992  -6.174  1.00 2.60  1   C  1 
HETATM 1576 C C19 . LIG_C  C  3  .   ? 10.894  -8.628  -5.037  1.00 2.14  1   C  1 
HETATM 1577 C C20 . LIG_C  C  3  .   ? 12.201  -9.263  -4.972  1.00 2.18  1   C  1 
HETATM 1578 C C21 . LIG_C  C  3  .   ? 12.304  -10.080 -3.735  1.00 2.33  1   C  1 
HETATM 1579 O O3  . LIG_C  C  3  .   ? 11.659  -11.231 -3.945  1.00 2.12  1   C  1 
HETATM 1580 P P1  . LIG_C  C  3  .   ? 11.191  -12.178 -2.803  1.00 2.19  1   C  1 
HETATM 1581 O O4  . LIG_C  C  3  .   ? 12.008  -12.008 -1.661  1.00 1.91  1   C  1 
HETATM 1582 O O5  . LIG_C  C  3  .   ? 11.018  -13.475 -3.366  1.00 2.03  1   C  1 
HETATM 1583 O O6  . LIG_C  C  3  .   ? 9.755   -11.664 -2.517  1.00 2.15  1   C  1 
HETATM 1584 C C22 . LIG_C  C  3  .   ? 9.460   -10.505 -2.149  1.00 3.09  1   C  1 
HETATM 1585 C C23 . LIG_C  C  3  .   ? 8.130   -10.330 -1.767  1.00 3.20  1   C  1 
HETATM 1586 N N1  . LIG_C  C  3  .   ? 7.203   -9.989  -2.731  1.00 4.25  1   C  1 
HETATM 1587 C C24 . LIG_C  C  3  .   ? 5.989   -9.806  -2.084  1.00 4.13  1   C  1 
HETATM 1588 C C25 . LIG_C  C  3  .   ? 7.616   -8.817  -3.366  1.00 3.89  1   C  1 
HETATM 1589 C C26 . LIG_C  C  3  .   ? 7.061   -11.027 -3.668  1.00 4.15  1   C  1 
HETATM 1590 O O7  . LIG_C  C  3  .   ? 13.152  -8.267  -4.888  1.00 2.03  1   C  1 
HETATM 1591 C C27 . LIG_C  C  3  .   ? 14.014  -8.275  -5.804  1.00 2.17  1   C  1 
HETATM 1592 O O8  . LIG_C  C  3  .   ? 14.132  -9.198  -6.541  1.00 1.95  1   C  1 
HETATM 1593 C C28 . LIG_C  C  3  .   ? 14.693  -7.179  -5.929  1.00 1.78  1   C  1 
HETATM 1594 C C29 . LIG_C  C  3  .   ? 14.765  -6.490  -6.854  1.00 1.84  1   C  1 
HETATM 1595 C C30 . LIG_C  C  3  .   ? 14.834  -5.778  -7.664  1.00 1.83  1   C  1 
HETATM 1596 C C31 . LIG_C  C  3  .   ? 14.855  -5.106  -8.572  1.00 1.71  1   C  1 
HETATM 1597 C C32 . LIG_C  C  3  .   ? 14.880  -4.445  -9.434  1.00 1.97  1   C  1 
HETATM 1598 C C33 . LIG_C  C  3  .   ? 14.909  -3.799  -10.349 1.00 1.79  1   C  1 
HETATM 1599 C C34 . LIG_C  C  3  .   ? 14.960  -3.169  -11.262 1.00 1.72  1   C  1 
HETATM 1600 C C35 . LIG_C  C  3  .   ? 15.046  -2.557  -12.203 1.00 1.77  1   C  1 
HETATM 1601 C C36 . LIG_C  C  3  .   ? 15.169  -1.983  -13.163 1.00 1.81  1   C  1 
HETATM 1602 C C37 . LIG_C  C  3  .   ? 15.340  -1.424  -14.147 1.00 1.78  1   C  1 
HETATM 1603 C C38 . LIG_C  C  3  .   ? 15.537  -0.873  -15.128 1.00 1.61  1   C  1 
HETATM 1604 C C39 . LIG_C  C  3  .   ? 15.770  -0.301  -16.124 1.00 1.67  1   C  1 
HETATM 1605 C C40 . LIG_C  C  3  .   ? 16.005  0.274   -17.086 1.00 1.82  1   C  1 
HETATM 1606 C C41 . LIG_C  C  3  .   ? 16.257  0.872   -18.024 1.00 1.51  1   C  1 
HETATM 1607 C C42 . LIG_C  C  3  .   ? 16.523  1.476   -18.886 1.00 1.46  1   C  1 
HETATM 1608 C C43 . LIG_C  C  3  .   ? 16.926  2.096   -19.688 1.00 1.35  1   C  1 
HETATM 1609 C C44 . LIG_C  C  3  .   ? 17.437  2.769   -20.509 1.00 1.39  1   C  1 
HETATM 1610 C C1  . LIG_D  D  4  .   ? 3.432   17.625  -9.689  1.00 1.89  1   D  1 
HETATM 1611 C C2  . LIG_D  D  4  .   ? 3.428   18.461  -9.840  1.00 1.80  1   D  1 
HETATM 1612 C C3  . LIG_D  D  4  .   ? 3.092   19.096  -9.159  1.00 1.68  1   D  1 
HETATM 1613 C C4  . LIG_D  D  4  .   ? 2.784   19.281  -8.209  1.00 1.92  1   D  1 
HETATM 1614 C C5  . LIG_D  D  4  .   ? 2.443   19.340  -7.227  1.00 1.81  1   D  1 
HETATM 1615 C C6  . LIG_D  D  4  .   ? 2.072   19.173  -6.250  1.00 1.67  1   D  1 
HETATM 1616 C C7  . LIG_D  D  4  .   ? 1.676   18.919  -5.326  1.00 1.62  1   D  1 
HETATM 1617 C C8  . LIG_D  D  4  .   ? 1.232   18.520  -4.443  1.00 1.56  1   D  1 
HETATM 1618 C C9  . LIG_D  D  4  .   ? 0.728   18.069  -3.632  1.00 1.68  1   D  1 
HETATM 1619 C C10 . LIG_D  D  4  .   ? 0.140   17.584  -2.826  1.00 1.82  1   D  1 
HETATM 1620 C C11 . LIG_D  D  4  .   ? -0.500  17.095  -2.093  1.00 1.73  1   D  1 
HETATM 1621 C C12 . LIG_D  D  4  .   ? -1.158  16.590  -1.335  1.00 1.84  1   D  1 
HETATM 1622 C C13 . LIG_D  D  4  .   ? -1.881  16.090  -0.651  1.00 1.44  1   D  1 
HETATM 1623 C C14 . LIG_D  D  4  .   ? -2.557  15.575  0.096   1.00 1.45  1   D  1 
HETATM 1624 C C15 . LIG_D  D  4  .   ? -3.345  15.036  0.685   1.00 1.45  1   D  1 
HETATM 1625 C C16 . LIG_D  D  4  .   ? -3.940  14.482  1.502   1.00 1.45  1   D  1 
HETATM 1626 C C17 . LIG_D  D  4  .   ? -4.774  13.926  1.999   1.00 1.29  1   D  1 
HETATM 1627 C C18 . LIG_D  D  4  .   ? -5.058  13.408  3.153   1.00 1.34  1   D  1 
HETATM 1628 O O1  . LIG_D  D  4  .   ? -4.323  13.574  4.065   1.00 1.94  1   D  1 
HETATM 1629 O O2  . LIG_D  D  4  .   ? -6.083  12.757  3.223   1.00 1.72  1   D  1 
HETATM 1630 C C19 . LIG_D  D  4  .   ? -6.288  12.172  4.383   1.00 1.27  1   D  1 
HETATM 1631 C C20 . LIG_D  D  4  .   ? -7.202  11.056  4.276   1.00 1.45  1   D  1 
HETATM 1632 C C21 . LIG_D  D  4  .   ? -7.324  10.366  5.563   1.00 1.39  1   D  1 
HETATM 1633 O O3  . LIG_D  D  4  .   ? -8.506  10.633  6.072   1.00 1.51  1   D  1 
HETATM 1634 P P1  . LIG_D  D  4  .   ? -8.851  10.247  7.491   1.00 1.48  1   D  1 
HETATM 1635 O O4  . LIG_D  D  4  .   ? -7.662  10.204  8.275   1.00 1.41  1   D  1 
HETATM 1636 O O5  . LIG_D  D  4  .   ? -9.949  11.006  7.916   1.00 1.40  1   D  1 
HETATM 1637 O O6  . LIG_D  D  4  .   ? -9.341  8.791   7.197   1.00 1.44  1   D  1 
HETATM 1638 C C22 . LIG_D  D  4  .   ? -10.063 8.149   7.974   1.00 1.60  1   D  1 
HETATM 1639 C C23 . LIG_D  D  4  .   ? -9.342  7.510   8.982   1.00 1.65  1   D  1 
HETATM 1640 N N1  . LIG_D  D  4  .   ? -10.045 7.285   10.155  1.00 2.47  1   D  1 
HETATM 1641 C C24 . LIG_D  D  4  .   ? -9.202  6.591   11.048  1.00 1.91  1   D  1 
HETATM 1642 C C25 . LIG_D  D  4  .   ? -10.456 8.523   10.716  1.00 1.68  1   D  1 
HETATM 1643 C C26 . LIG_D  D  4  .   ? -11.179 6.505   9.877   1.00 1.96  1   D  1 
HETATM 1644 O O7  . LIG_D  D  4  .   ? -6.705  10.137  3.365   1.00 1.55  1   D  1 
HETATM 1645 C C27 . LIG_D  D  4  .   ? -7.509  9.782   2.456   1.00 1.63  1   D  1 
HETATM 1646 O O8  . LIG_D  D  4  .   ? -8.676  9.977   2.529   1.00 1.57  1   D  1 
HETATM 1647 C C28 . LIG_D  D  4  .   ? -6.938  9.253   1.401   1.00 1.51  1   D  1 
HETATM 1648 C C29 . LIG_D  D  4  .   ? -6.268  9.729   0.598   1.00 1.68  1   D  1 
HETATM 1649 C C30 . LIG_D  D  4  .   ? -5.633  10.120  -0.212  1.00 1.74  1   D  1 
HETATM 1650 C C31 . LIG_D  D  4  .   ? -4.942  10.691  -0.908  1.00 1.61  1   D  1 
HETATM 1651 C C32 . LIG_D  D  4  .   ? -4.243  11.233  -1.563  1.00 1.82  1   D  1 
HETATM 1652 C C33 . LIG_D  D  4  .   ? -3.521  11.808  -2.197  1.00 1.64  1   D  1 
HETATM 1653 C C34 . LIG_D  D  4  .   ? -2.796  12.368  -2.847  1.00 1.59  1   D  1 
HETATM 1654 C C35 . LIG_D  D  4  .   ? -2.079  12.920  -3.529  1.00 1.60  1   D  1 
HETATM 1655 C C36 . LIG_D  D  4  .   ? -1.385  13.446  -4.247  1.00 1.67  1   D  1 
HETATM 1656 C C37 . LIG_D  D  4  .   ? -0.694  13.952  -5.007  1.00 1.63  1   D  1 
HETATM 1657 C C38 . LIG_D  D  4  .   ? -0.011  14.424  -5.794  1.00 1.50  1   D  1 
HETATM 1658 C C39 . LIG_D  D  4  .   ? 0.684   14.886  -6.607  1.00 1.54  1   D  1 
HETATM 1659 C C40 . LIG_D  D  4  .   ? 1.361   15.313  -7.410  1.00 1.71  1   D  1 
HETATM 1660 C C41 . LIG_D  D  4  .   ? 2.038   15.734  -8.216  1.00 1.42  1   D  1 
HETATM 1661 C C42 . LIG_D  D  4  .   ? 2.668   16.120  -8.998  1.00 1.39  1   D  1 
HETATM 1662 C C43 . LIG_D  D  4  .   ? 3.303   16.458  -9.785  1.00 1.30  1   D  1 
HETATM 1663 C C44 . LIG_D  D  4  .   ? 4.024   16.708  -10.758 1.00 1.33  1   D  1 
HETATM 1664 C C1  . LIG_E  E  5  .   ? 12.003  13.781  -3.762  1.00 1.87  1   E  1 
HETATM 1665 C C2  . LIG_E  E  5  .   ? 12.852  13.899  -3.553  1.00 1.80  1   E  1 
HETATM 1666 C C3  . LIG_E  E  5  .   ? 13.495  13.467  -2.820  1.00 1.68  1   E  1 
HETATM 1667 C C4  . LIG_E  E  5  .   ? 13.678  12.795  -2.042  1.00 1.87  1   E  1 
HETATM 1668 C C5  . LIG_E  E  5  .   ? 13.783  12.093  -1.254  1.00 1.79  1   E  1 
HETATM 1669 C C6  . LIG_E  E  5  .   ? 13.766  11.381  -0.451  1.00 1.64  1   E  1 
HETATM 1670 C C7  . LIG_E  E  5  .   ? 13.690  10.681  0.345   1.00 1.63  1   E  1 
HETATM 1671 C C8  . LIG_E  E  5  .   ? 13.553  9.968   1.147   1.00 1.61  1   E  1 
HETATM 1672 C C9  . LIG_E  E  5  .   ? 13.383  9.267   1.941   1.00 1.74  1   E  1 
HETATM 1673 C C10 . LIG_E  E  5  .   ? 13.182  8.528   2.774   1.00 1.89  1   E  1 
HETATM 1674 C C11 . LIG_E  E  5  .   ? 12.990  7.830   3.600   1.00 1.78  1   E  1 
HETATM 1675 C C12 . LIG_E  E  5  .   ? 12.774  7.120   4.445   1.00 1.96  1   E  1 
HETATM 1676 C C13 . LIG_E  E  5  .   ? 12.525  6.456   5.295   1.00 1.48  1   E  1 
HETATM 1677 C C14 . LIG_E  E  5  .   ? 12.245  5.749   6.142   1.00 1.50  1   E  1 
HETATM 1678 C C15 . LIG_E  E  5  .   ? 11.911  5.127   6.969   1.00 1.55  1   E  1 
HETATM 1679 C C16 . LIG_E  E  5  .   ? 11.539  4.377   7.775   1.00 1.61  1   E  1 
HETATM 1680 C C17 . LIG_E  E  5  .   ? 11.052  3.900   8.582   1.00 1.41  1   E  1 
HETATM 1681 C C18 . LIG_E  E  5  .   ? 10.658  2.889   9.274   1.00 1.55  1   E  1 
HETATM 1682 O O1  . LIG_E  E  5  .   ? 11.206  1.857   9.208   1.00 2.26  1   E  1 
HETATM 1683 O O2  . LIG_E  E  5  .   ? 9.651   3.116   9.932   1.00 2.10  1   E  1 
HETATM 1684 C C19 . LIG_E  E  5  .   ? 9.079   2.080   10.544  1.00 1.46  1   E  1 
HETATM 1685 C C20 . LIG_E  E  5  .   ? 7.810   2.463   11.155  1.00 1.79  1   E  1 
HETATM 1686 C C21 . LIG_E  E  5  .   ? 7.056   1.298   11.666  1.00 1.72  1   E  1 
HETATM 1687 O O3  . LIG_E  E  5  .   ? 7.853   0.514   12.373  1.00 2.00  1   E  1 
HETATM 1688 P P1  . LIG_E  E  5  .   ? 7.949   0.613   13.919  1.00 1.84  1   E  1 
HETATM 1689 O O4  . LIG_E  E  5  .   ? 7.528   1.871   14.384  1.00 1.73  1   E  1 
HETATM 1690 O O5  . LIG_E  E  5  .   ? 9.202   0.114   14.311  1.00 1.79  1   E  1 
HETATM 1691 O O6  . LIG_E  E  5  .   ? 6.861   -0.428  14.289  1.00 2.01  1   E  1 
HETATM 1692 C C22 . LIG_E  E  5  .   ? 6.886   -0.913  15.411  1.00 2.47  1   E  1 
HETATM 1693 C C23 . LIG_E  E  5  .   ? 5.745   -1.465  15.911  1.00 2.66  1   E  1 
HETATM 1694 N N1  . LIG_E  E  5  .   ? 5.765   -1.681  17.287  1.00 4.13  1   E  1 
HETATM 1695 C C24 . LIG_E  E  5  .   ? 4.631   -2.440  17.633  1.00 3.43  1   E  1 
HETATM 1696 C C25 . LIG_E  E  5  .   ? 6.938   -2.372  17.659  1.00 3.05  1   E  1 
HETATM 1697 C C26 . LIG_E  E  5  .   ? 5.715   -0.420  17.924  1.00 3.13  1   E  1 
HETATM 1698 O O7  . LIG_E  E  5  .   ? 7.033   3.050   10.177  1.00 1.84  1   E  1 
HETATM 1699 C C27 . LIG_E  E  5  .   ? 6.746   4.260   10.396  1.00 1.95  1   E  1 
HETATM 1700 O O8  . LIG_E  E  5  .   ? 6.931   4.772   11.453  1.00 1.70  1   E  1 
HETATM 1701 C C28 . LIG_E  E  5  .   ? 6.322   4.903   9.344   1.00 1.92  1   E  1 
HETATM 1702 C C29 . LIG_E  E  5  .   ? 6.818   5.413   8.469   1.00 1.93  1   E  1 
HETATM 1703 C C30 . LIG_E  E  5  .   ? 7.005   5.961   7.515   1.00 1.95  1   E  1 
HETATM 1704 C C31 . LIG_E  E  5  .   ? 7.374   6.456   6.581   1.00 1.70  1   E  1 
HETATM 1705 C C32 . LIG_E  E  5  .   ? 7.628   6.943   5.617   1.00 1.93  1   E  1 
HETATM 1706 C C33 . LIG_E  E  5  .   ? 7.935   7.398   4.637   1.00 1.69  1   E  1 
HETATM 1707 C C34 . LIG_E  E  5  .   ? 8.205   7.866   3.647   1.00 1.61  1   E  1 
HETATM 1708 C C35 . LIG_E  E  5  .   ? 8.478   8.345   2.662   1.00 1.63  1   E  1 
HETATM 1709 C C36 . LIG_E  E  5  .   ? 8.726   8.880   1.690   1.00 1.70  1   E  1 
HETATM 1710 C C37 . LIG_E  E  5  .   ? 8.957   9.480   0.745   1.00 1.64  1   E  1 
HETATM 1711 C C38 . LIG_E  E  5  .   ? 9.183   10.117  -0.180  1.00 1.49  1   E  1 
HETATM 1712 C C39 . LIG_E  E  5  .   ? 9.411   10.785  -1.087  1.00 1.53  1   E  1 
HETATM 1713 C C40 . LIG_E  E  5  .   ? 9.656   11.481  -1.936  1.00 1.67  1   E  1 
HETATM 1714 C C41 . LIG_E  E  5  .   ? 9.919   12.208  -2.737  1.00 1.43  1   E  1 
HETATM 1715 C C42 . LIG_E  E  5  .   ? 10.191  12.933  -3.475  1.00 1.38  1   E  1 
HETATM 1716 C C43 . LIG_E  E  5  .   ? 10.409  13.669  -4.213  1.00 1.29  1   E  1 
HETATM 1717 C C44 . LIG_E  E  5  .   ? 10.543  14.522  -5.044  1.00 1.33  1   E  1 
HETATM 1718 C C1  . LIG_F  F  6  .   ? 11.896  9.267   -11.110 1.00 1.95  1   F  1 
HETATM 1719 C C2  . LIG_F  F  6  .   ? 12.533  9.237   -10.512 1.00 1.78  1   F  1 
HETATM 1720 C C3  . LIG_F  F  6  .   ? 12.618  8.641   -9.651  1.00 1.70  1   F  1 
HETATM 1721 C C4  . LIG_F  F  6  .   ? 12.196  8.092   -8.899  1.00 1.96  1   F  1 
HETATM 1722 C C5  . LIG_F  F  6  .   ? 11.705  7.608   -8.127  1.00 1.89  1   F  1 
HETATM 1723 C C6  . LIG_F  F  6  .   ? 11.159  7.247   -7.352  1.00 1.69  1   F  1 
HETATM 1724 C C7  . LIG_F  F  6  .   ? 10.635  6.943   -6.530  1.00 1.74  1   F  1 
HETATM 1725 C C8  . LIG_F  F  6  .   ? 10.110  6.647   -5.695  1.00 1.73  1   F  1 
HETATM 1726 C C9  . LIG_F  F  6  .   ? 9.531   6.242   -4.934  1.00 1.95  1   F  1 
HETATM 1727 C C10 . LIG_F  F  6  .   ? 8.902   5.710   -4.228  1.00 2.15  1   F  1 
HETATM 1728 C C11 . LIG_F  F  6  .   ? 8.258   5.128   -3.591  1.00 2.03  1   F  1 
HETATM 1729 C C12 . LIG_F  F  6  .   ? 7.637   4.479   -2.968  1.00 2.34  1   F  1 
HETATM 1730 C C13 . LIG_F  F  6  .   ? 6.990   3.844   -2.333  1.00 1.81  1   F  1 
HETATM 1731 C C14 . LIG_F  F  6  .   ? 6.452   3.110   -1.714  1.00 1.90  1   F  1 
HETATM 1732 C C15 . LIG_F  F  6  .   ? 5.852   2.461   -1.070  1.00 2.03  1   F  1 
HETATM 1733 C C16 . LIG_F  F  6  .   ? 5.458   1.605   -0.436  1.00 2.27  1   F  1 
HETATM 1734 C C17 . LIG_F  F  6  .   ? 4.934   0.981   0.275   1.00 1.88  1   F  1 
HETATM 1735 C C18 . LIG_F  F  6  .   ? 4.971   -0.152  0.871   1.00 1.95  1   F  1 
HETATM 1736 O O1  . LIG_F  F  6  .   ? 5.117   -0.202  2.044   1.00 3.20  1   F  1 
HETATM 1737 O O2  . LIG_F  F  6  .   ? 4.886   -1.106  0.114   1.00 2.91  1   F  1 
HETATM 1738 C C19 . LIG_F  F  6  .   ? 5.034   -2.285  0.652   1.00 1.94  1   F  1 
HETATM 1739 C C20 . LIG_F  F  6  .   ? 5.003   -3.366  -0.302  1.00 2.81  1   F  1 
HETATM 1740 C C21 . LIG_F  F  6  .   ? 4.966   -4.636  0.468   1.00 2.51  1   F  1 
HETATM 1741 O O3  . LIG_F  F  6  .   ? 4.151   -5.501  -0.105  1.00 2.86  1   F  1 
HETATM 1742 P P1  . LIG_F  F  6  .   ? 3.535   -6.682  0.657   1.00 2.78  1   F  1 
HETATM 1743 O O4  . LIG_F  F  6  .   ? 4.039   -6.742  1.990   1.00 2.87  1   F  1 
HETATM 1744 O O5  . LIG_F  F  6  .   ? 3.612   -7.854  -0.156  1.00 2.97  1   F  1 
HETATM 1745 O O6  . LIG_F  F  6  .   ? 2.045   -6.280  0.652   1.00 2.53  1   F  1 
HETATM 1746 C C22 . LIG_F  F  6  .   ? 1.558   -5.381  1.362   1.00 3.46  1   F  1 
HETATM 1747 C C23 . LIG_F  F  6  .   ? 0.577   -4.713  0.702   1.00 3.16  1   F  1 
HETATM 1748 N N1  . LIG_F  F  6  .   ? 0.001   -3.657  1.312   1.00 5.11  1   F  1 
HETATM 1749 C C24 . LIG_F  F  6  .   ? 0.965   -2.938  2.039   1.00 3.82  1   F  1 
HETATM 1750 C C25 . LIG_F  F  6  .   ? -1.000  -4.127  2.176   1.00 3.70  1   F  1 
HETATM 1751 C C26 . LIG_F  F  6  .   ? -0.540  -2.894  0.294   1.00 3.99  1   F  1 
HETATM 1752 O O7  . LIG_F  F  6  .   ? 6.140   -3.353  -1.090  1.00 2.35  1   F  1 
HETATM 1753 C C27 . LIG_F  F  6  .   ? 5.950   -3.293  -2.327  1.00 2.70  1   F  1 
HETATM 1754 O O8  . LIG_F  F  6  .   ? 4.851   -3.131  -2.785  1.00 2.29  1   F  1 
HETATM 1755 C C28 . LIG_F  F  6  .   ? 7.038   -3.375  -3.051  1.00 2.26  1   F  1 
HETATM 1756 C C29 . LIG_F  F  6  .   ? 7.320   -2.744  -3.998  1.00 2.29  1   F  1 
HETATM 1757 C C30 . LIG_F  F  6  .   ? 7.325   -1.868  -4.644  1.00 2.17  1   F  1 
HETATM 1758 C C31 . LIG_F  F  6  .   ? 7.474   -1.057  -5.406  1.00 1.90  1   F  1 
HETATM 1759 C C32 . LIG_F  F  6  .   ? 7.583   -0.200  -6.071  1.00 2.10  1   F  1 
HETATM 1760 C C33 . LIG_F  F  6  .   ? 7.721   0.640   -6.773  1.00 1.88  1   F  1 
HETATM 1761 C C34 . LIG_F  F  6  .   ? 7.853   1.502   -7.464  1.00 1.74  1   F  1 
HETATM 1762 C C35 . LIG_F  F  6  .   ? 8.021   2.332   -8.192  1.00 1.73  1   F  1 
HETATM 1763 C C36 . LIG_F  F  6  .   ? 8.213   3.145   -8.945  1.00 1.77  1   F  1 
HETATM 1764 C C37 . LIG_F  F  6  .   ? 8.428   3.949   -9.697  1.00 1.83  1   F  1 
HETATM 1765 C C38 . LIG_F  F  6  .   ? 8.689   4.779   -10.402 1.00 1.58  1   F  1 
HETATM 1766 C C39 . LIG_F  F  6  .   ? 9.009   5.659   -11.034 1.00 1.65  1   F  1 
HETATM 1767 C C40 . LIG_F  F  6  .   ? 9.420   6.581   -11.502 1.00 1.78  1   F  1 
HETATM 1768 C C41 . LIG_F  F  6  .   ? 9.895   7.530   -11.846 1.00 1.49  1   F  1 
HETATM 1769 C C42 . LIG_F  F  6  .   ? 10.362  8.446   -12.115 1.00 1.41  1   F  1 
HETATM 1770 C C43 . LIG_F  F  6  .   ? 10.776  9.388   -12.399 1.00 1.31  1   F  1 
HETATM 1771 C C44 . LIG_F  F  6  .   ? 11.115  10.437  -12.808 1.00 1.34  1   F  1 
HETATM 1772 C C1  . LIG_G  G  7  .   ? -3.699  21.768  -11.905 1.00 1.88  1   G  1 
HETATM 1773 C C2  . LIG_G  G  7  .   ? -2.980  22.251  -11.440 1.00 1.82  1   G  1 
HETATM 1774 C C3  . LIG_G  G  7  .   ? -2.527  22.084  -10.446 1.00 1.71  1   G  1 
HETATM 1775 C C4  . LIG_G  G  7  .   ? -2.519  21.526  -9.517  1.00 1.92  1   G  1 
HETATM 1776 C C5  . LIG_G  G  7  .   ? -2.614  20.927  -8.618  1.00 1.76  1   G  1 
HETATM 1777 C C6  . LIG_G  G  7  .   ? -2.843  20.287  -7.755  1.00 1.56  1   G  1 
HETATM 1778 C C7  . LIG_G  G  7  .   ? -3.162  19.647  -6.939  1.00 1.58  1   G  1 
HETATM 1779 C C8  . LIG_G  G  7  .   ? -3.590  19.002  -6.171  1.00 1.54  1   G  1 
HETATM 1780 C C9  . LIG_G  G  7  .   ? -4.099  18.367  -5.454  1.00 1.63  1   G  1 
HETATM 1781 C C10 . LIG_G  G  7  .   ? -4.695  17.736  -4.722  1.00 1.83  1   G  1 
HETATM 1782 C C11 . LIG_G  G  7  .   ? -5.354  17.158  -4.053  1.00 1.71  1   G  1 
HETATM 1783 C C12 . LIG_G  G  7  .   ? -6.031  16.576  -3.362  1.00 1.84  1   G  1 
HETATM 1784 C C13 . LIG_G  G  7  .   ? -6.775  16.037  -2.720  1.00 1.44  1   G  1 
HETATM 1785 C C14 . LIG_G  G  7  .   ? -7.474  15.517  -1.982  1.00 1.44  1   G  1 
HETATM 1786 C C15 . LIG_G  G  7  .   ? -8.268  15.019  -1.372  1.00 1.43  1   G  1 
HETATM 1787 C C16 . LIG_G  G  7  .   ? -8.933  14.531  -0.546  1.00 1.47  1   G  1 
HETATM 1788 C C17 . LIG_G  G  7  .   ? -9.790  14.037  -0.051  1.00 1.30  1   G  1 
HETATM 1789 C C18 . LIG_G  G  7  .   ? -10.266 13.520  1.051   1.00 1.34  1   G  1 
HETATM 1790 O O1  . LIG_G  G  7  .   ? -9.801  13.779  2.093   1.00 1.91  1   G  1 
HETATM 1791 O O2  . LIG_G  G  7  .   ? -11.195 12.759  0.867   1.00 1.72  1   G  1 
HETATM 1792 C C19 . LIG_G  G  7  .   ? -11.605 11.984  1.875   1.00 1.29  1   G  1 
HETATM 1793 C C20 . LIG_G  G  7  .   ? -12.434 10.919  1.323   1.00 1.42  1   G  1 
HETATM 1794 C C21 . LIG_G  G  7  .   ? -12.976 10.005  2.350   1.00 1.33  1   G  1 
HETATM 1795 O O3  . LIG_G  G  7  .   ? -12.045 9.637   3.208   1.00 1.49  1   G  1 
HETATM 1796 P P1  . LIG_G  G  7  .   ? -12.323 8.706   4.408   1.00 1.49  1   G  1 
HETATM 1797 O O4  . LIG_G  G  7  .   ? -11.088 8.000   4.626   1.00 1.50  1   G  1 
HETATM 1798 O O5  . LIG_G  G  7  .   ? -12.932 9.404   5.453   1.00 1.47  1   G  1 
HETATM 1799 O O6  . LIG_G  G  7  .   ? -13.353 7.648   3.844   1.00 1.44  1   G  1 
HETATM 1800 C C22 . LIG_G  G  7  .   ? -14.307 7.191   4.526   1.00 1.59  1   G  1 
HETATM 1801 C C23 . LIG_G  G  7  .   ? -14.518 5.823   4.425   1.00 1.66  1   G  1 
HETATM 1802 N N1  . LIG_G  G  7  .   ? -13.845 5.008   5.328   1.00 2.59  1   G  1 
HETATM 1803 C C24 . LIG_G  G  7  .   ? -14.525 3.797   5.447   1.00 1.98  1   G  1 
HETATM 1804 C C25 . LIG_G  G  7  .   ? -12.542 4.772   4.831   1.00 1.95  1   G  1 
HETATM 1805 C C26 . LIG_G  G  7  .   ? -13.788 5.608   6.607   1.00 2.12  1   G  1 
HETATM 1806 O O7  . LIG_G  G  7  .   ? -11.644 10.197  0.443   1.00 1.52  1   G  1 
HETATM 1807 C C27 . LIG_G  G  7  .   ? -12.176 9.989   -0.690  1.00 1.56  1   G  1 
HETATM 1808 O O8  . LIG_G  G  7  .   ? -13.355 9.897   -0.812  1.00 1.55  1   G  1 
HETATM 1809 C C28 . LIG_G  G  7  .   ? -11.349 9.927   -1.705  1.00 1.45  1   G  1 
HETATM 1810 C C29 . LIG_G  G  7  .   ? -10.924 10.666  -2.489  1.00 1.65  1   G  1 
HETATM 1811 C C30 . LIG_G  G  7  .   ? -10.371 11.211  -3.312  1.00 1.65  1   G  1 
HETATM 1812 C C31 . LIG_G  G  7  .   ? -9.888  11.910  -4.076  1.00 1.54  1   G  1 
HETATM 1813 C C32 . LIG_G  G  7  .   ? -9.379  12.532  -4.854  1.00 1.76  1   G  1 
HETATM 1814 C C33 . LIG_G  G  7  .   ? -8.881  13.212  -5.631  1.00 1.58  1   G  1 
HETATM 1815 C C34 . LIG_G  G  7  .   ? -8.396  13.880  -6.431  1.00 1.54  1   G  1 
HETATM 1816 C C35 . LIG_G  G  7  .   ? -7.930  14.575  -7.227  1.00 1.54  1   G  1 
HETATM 1817 C C36 . LIG_G  G  7  .   ? -7.487  15.291  -8.024  1.00 1.59  1   G  1 
HETATM 1818 C C37 . LIG_G  G  7  .   ? -7.070  16.041  -8.815  1.00 1.58  1   G  1 
HETATM 1819 C C38 . LIG_G  G  7  .   ? -6.684  16.832  -9.587  1.00 1.45  1   G  1 
HETATM 1820 C C39 . LIG_G  G  7  .   ? -6.311  17.663  -10.342 1.00 1.53  1   G  1 
HETATM 1821 C C40 . LIG_G  G  7  .   ? -5.945  18.507  -11.048 1.00 1.65  1   G  1 
HETATM 1822 C C41 . LIG_G  G  7  .   ? -5.594  19.364  -11.738 1.00 1.42  1   G  1 
HETATM 1823 C C42 . LIG_G  G  7  .   ? -5.288  20.171  -12.420 1.00 1.43  1   G  1 
HETATM 1824 C C43 . LIG_G  G  7  .   ? -5.054  20.951  -13.178 1.00 1.30  1   G  1 
HETATM 1825 C C44 . LIG_G  G  7  .   ? -4.911  21.742  -14.108 1.00 1.35  1   G  1 
HETATM 1826 C C1  . LIG_H  H  8  .   ? 8.954   7.258   -16.740 1.00 1.83  1   H  1 
HETATM 1827 C C2  . LIG_H  H  8  .   ? 8.025   7.041   -17.130 1.00 1.73  1   H  1 
HETATM 1828 C C3  . LIG_H  H  8  .   ? 7.516   7.551   -17.917 1.00 1.71  1   H  1 
HETATM 1829 C C4  . LIG_H  H  8  .   ? 7.661   8.309   -18.650 1.00 1.90  1   H  1 
HETATM 1830 C C5  . LIG_H  H  8  .   ? 7.941   9.081   -19.322 1.00 1.77  1   H  1 
HETATM 1831 C C6  . LIG_H  H  8  .   ? 8.307   9.888   -19.940 1.00 1.61  1   H  1 
HETATM 1832 C C7  . LIG_H  H  8  .   ? 8.642   10.703  -20.502 1.00 1.59  1   H  1 
HETATM 1833 C C8  . LIG_H  H  8  .   ? 8.963   11.561  -21.031 1.00 1.53  1   H  1 
HETATM 1834 C C9  . LIG_H  H  8  .   ? 9.225   12.435  -21.517 1.00 1.59  1   H  1 
HETATM 1835 C C10 . LIG_H  H  8  .   ? 9.420   13.372  -22.024 1.00 1.72  1   H  1 
HETATM 1836 C C11 . LIG_H  H  8  .   ? 9.484   14.292  -22.532 1.00 1.58  1   H  1 
HETATM 1837 C C12 . LIG_H  H  8  .   ? 9.489   15.199  -23.089 1.00 1.71  1   H  1 
HETATM 1838 C C13 . LIG_H  H  8  .   ? 9.349   16.059  -23.677 1.00 1.33  1   H  1 
HETATM 1839 C C14 . LIG_H  H  8  .   ? 9.209   16.900  -24.313 1.00 1.36  1   H  1 
HETATM 1840 C C15 . LIG_H  H  8  .   ? 9.011   17.683  -25.022 1.00 1.36  1   H  1 
HETATM 1841 C C16 . LIG_H  H  8  .   ? 8.884   18.467  -25.740 1.00 1.35  1   H  1 
HETATM 1842 C C17 . LIG_H  H  8  .   ? 8.903   19.212  -26.528 1.00 1.21  1   H  1 
HETATM 1843 C C18 . LIG_H  H  8  .   ? 9.784   19.840  -27.156 1.00 1.21  1   H  1 
HETATM 1844 O O1  . LIG_H  H  8  .   ? 9.511   20.460  -28.103 1.00 1.68  1   H  1 
HETATM 1845 O O2  . LIG_H  H  8  .   ? 10.909  19.684  -26.688 1.00 1.59  1   H  1 
HETATM 1846 C C19 . LIG_H  H  8  .   ? 11.870  20.196  -27.375 1.00 1.18  1   H  1 
HETATM 1847 C C20 . LIG_H  H  8  .   ? 12.914  20.755  -26.572 1.00 1.23  1   H  1 
HETATM 1848 C C21 . LIG_H  H  8  .   ? 13.852  21.417  -27.480 1.00 1.23  1   H  1 
HETATM 1849 O O3  . LIG_H  H  8  .   ? 13.120  22.234  -28.237 1.00 1.32  1   H  1 
HETATM 1850 P P1  . LIG_H  H  8  .   ? 13.738  23.338  -29.111 1.00 1.27  1   H  1 
HETATM 1851 O O4  . LIG_H  H  8  .   ? 12.660  23.936  -29.839 1.00 1.21  1   H  1 
HETATM 1852 O O5  . LIG_H  H  8  .   ? 14.853  22.853  -29.770 1.00 1.20  1   H  1 
HETATM 1853 O O6  . LIG_H  H  8  .   ? 14.120  24.271  -27.943 1.00 1.25  1   H  1 
HETATM 1854 C C22 . LIG_H  H  8  .   ? 14.872  25.263  -27.982 1.00 1.34  1   H  1 
HETATM 1855 C C23 . LIG_H  H  8  .   ? 14.733  26.068  -26.836 1.00 1.34  1   H  1 
HETATM 1856 N N1  . LIG_H  H  8  .   ? 14.775  25.450  -25.612 1.00 2.13  1   H  1 
HETATM 1857 C C24 . LIG_H  H  8  .   ? 14.848  26.396  -24.652 1.00 1.44  1   H  1 
HETATM 1858 C C25 . LIG_H  H  8  .   ? 15.886  24.584  -25.509 1.00 1.42  1   H  1 
HETATM 1859 C C26 . LIG_H  H  8  .   ? 13.583  24.733  -25.366 1.00 1.48  1   H  1 
HETATM 1860 O O7  . LIG_H  H  8  .   ? 13.505  19.744  -25.877 1.00 1.34  1   H  1 
HETATM 1861 C C27 . LIG_H  H  8  .   ? 13.814  20.054  -24.721 1.00 1.40  1   H  1 
HETATM 1862 O O8  . LIG_H  H  8  .   ? 13.932  21.167  -24.350 1.00 1.42  1   H  1 
HETATM 1863 C C28 . LIG_H  H  8  .   ? 13.946  19.069  -23.935 1.00 1.30  1   H  1 
HETATM 1864 C C29 . LIG_H  H  8  .   ? 14.007  18.752  -22.933 1.00 1.41  1   H  1 
HETATM 1865 C C30 . LIG_H  H  8  .   ? 14.018  18.110  -22.052 1.00 1.44  1   H  1 
HETATM 1866 C C31 . LIG_H  H  8  .   ? 13.983  17.529  -21.162 1.00 1.34  1   H  1 
HETATM 1867 C C32 . LIG_H  H  8  .   ? 13.929  16.851  -20.328 1.00 1.58  1   H  1 
HETATM 1868 C C33 . LIG_H  H  8  .   ? 13.842  16.141  -19.536 1.00 1.40  1   H  1 
HETATM 1869 C C34 . LIG_H  H  8  .   ? 13.725  15.337  -18.813 1.00 1.46  1   H  1 
HETATM 1870 C C35 . LIG_H  H  8  .   ? 13.555  14.489  -18.179 1.00 1.46  1   H  1 
HETATM 1871 C C36 . LIG_H  H  8  .   ? 13.341  13.577  -17.636 1.00 1.50  1   H  1 
HETATM 1872 C C37 . LIG_H  H  8  .   ? 13.104  12.626  -17.161 1.00 1.51  1   H  1 
HETATM 1873 C C38 . LIG_H  H  8  .   ? 12.823  11.635  -16.772 1.00 1.40  1   H  1 
HETATM 1874 C C39 . LIG_H  H  8  .   ? 12.485  10.627  -16.461 1.00 1.48  1   H  1 
HETATM 1875 C C40 . LIG_H  H  8  .   ? 12.077  9.634   -16.221 1.00 1.59  1   H  1 
HETATM 1876 C C41 . LIG_H  H  8  .   ? 11.620  8.662   -16.022 1.00 1.40  1   H  1 
HETATM 1877 C C42 . LIG_H  H  8  .   ? 11.148  7.747   -15.826 1.00 1.37  1   H  1 
HETATM 1878 C C43 . LIG_H  H  8  .   ? 10.721  6.838   -15.602 1.00 1.28  1   H  1 
HETATM 1879 C C44 . LIG_H  H  8  .   ? 10.335  5.764   -15.217 1.00 1.32  1   H  1 
HETATM 1880 C C1  . LIG_I  I  9  .   ? 20.152  6.216   -17.357 1.00 1.70  1   I  1 
HETATM 1881 C C2  . LIG_I  I  9  .   ? 20.567  6.623   -18.095 1.00 1.75  1   I  1 
HETATM 1882 C C3  . LIG_I  I  9  .   ? 20.547  7.549   -18.697 1.00 1.70  1   I  1 
HETATM 1883 C C4  . LIG_I  I  9  .   ? 20.195  8.544   -18.912 1.00 1.84  1   I  1 
HETATM 1884 C C5  . LIG_I  I  9  .   ? 19.800  9.516   -19.172 1.00 1.69  1   I  1 
HETATM 1885 C C6  . LIG_I  I  9  .   ? 19.255  10.427  -19.370 1.00 1.49  1   I  1 
HETATM 1886 C C7  . LIG_I  I  9  .   ? 18.604  11.250  -19.603 1.00 1.58  1   I  1 
HETATM 1887 C C8  . LIG_I  I  9  .   ? 17.866  11.963  -19.943 1.00 1.48  1   I  1 
HETATM 1888 C C9  . LIG_I  I  9  .   ? 17.149  12.576  -20.455 1.00 1.61  1   I  1 
HETATM 1889 C C10 . LIG_I  I  9  .   ? 16.487  13.122  -21.131 1.00 1.67  1   I  1 
HETATM 1890 C C11 . LIG_I  I  9  .   ? 15.913  13.609  -21.910 1.00 1.56  1   I  1 
HETATM 1891 C C12 . LIG_I  I  9  .   ? 15.458  14.014  -22.801 1.00 1.65  1   I  1 
HETATM 1892 C C13 . LIG_I  I  9  .   ? 15.102  14.368  -23.746 1.00 1.32  1   I  1 
HETATM 1893 C C14 . LIG_I  I  9  .   ? 14.922  14.621  -24.783 1.00 1.34  1   I  1 
HETATM 1894 C C15 . LIG_I  I  9  .   ? 14.794  14.841  -25.825 1.00 1.34  1   I  1 
HETATM 1895 C C16 . LIG_I  I  9  .   ? 14.771  14.962  -26.908 1.00 1.33  1   I  1 
HETATM 1896 C C17 . LIG_I  I  9  .   ? 14.812  15.114  -27.981 1.00 1.22  1   I  1 
HETATM 1897 C C18 . LIG_I  I  9  .   ? 15.381  14.641  -28.999 1.00 1.21  1   I  1 
HETATM 1898 O O1  . LIG_I  I  9  .   ? 15.370  15.238  -30.004 1.00 1.68  1   I  1 
HETATM 1899 O O2  . LIG_I  I  9  .   ? 15.948  13.556  -28.822 1.00 1.56  1   I  1 
HETATM 1900 C C19 . LIG_I  I  9  .   ? 16.534  13.080  -29.867 1.00 1.19  1   I  1 
HETATM 1901 C C20 . LIG_I  I  9  .   ? 17.219  11.828  -29.694 1.00 1.24  1   I  1 
HETATM 1902 C C21 . LIG_I  I  9  .   ? 17.463  11.260  -31.029 1.00 1.24  1   I  1 
HETATM 1903 O O3  . LIG_I  I  9  .   ? 18.027  12.202  -31.747 1.00 1.32  1   I  1 
HETATM 1904 P P1  . LIG_I  I  9  .   ? 18.119  12.152  -33.286 1.00 1.27  1   I  1 
HETATM 1905 O O4  . LIG_I  I  9  .   ? 16.856  12.503  -33.815 1.00 1.23  1   I  1 
HETATM 1906 O O5  . LIG_I  I  9  .   ? 18.697  10.970  -33.706 1.00 1.19  1   I  1 
HETATM 1907 O O6  . LIG_I  I  9  .   ? 19.102  13.320  -33.455 1.00 1.25  1   I  1 
HETATM 1908 C C22 . LIG_I  I  9  .   ? 18.773  14.455  -33.909 1.00 1.38  1   I  1 
HETATM 1909 C C23 . LIG_I  I  9  .   ? 19.333  15.562  -33.264 1.00 1.39  1   I  1 
HETATM 1910 N N1  . LIG_I  I  9  .   ? 18.579  16.705  -33.217 1.00 2.16  1   I  1 
HETATM 1911 C C24 . LIG_I  I  9  .   ? 18.395  17.227  -34.516 1.00 1.48  1   I  1 
HETATM 1912 C C25 . LIG_I  I  9  .   ? 17.318  16.405  -32.650 1.00 1.47  1   I  1 
HETATM 1913 C C26 . LIG_I  I  9  .   ? 19.240  17.619  -32.405 1.00 1.55  1   I  1 
HETATM 1914 O O7  . LIG_I  I  9  .   ? 16.421  10.976  -28.998 1.00 1.35  1   I  1 
HETATM 1915 C C27 . LIG_I  I  9  .   ? 16.948  10.465  -28.000 1.00 1.42  1   I  1 
HETATM 1916 O O8  . LIG_I  I  9  .   ? 18.116  10.297  -27.883 1.00 1.40  1   I  1 
HETATM 1917 C C28 . LIG_I  I  9  .   ? 16.128  10.182  -27.067 1.00 1.28  1   I  1 
HETATM 1918 C C29 . LIG_I  I  9  .   ? 15.955  10.024  -26.024 1.00 1.41  1   I  1 
HETATM 1919 C C30 . LIG_I  I  9  .   ? 15.531  9.895   -25.031 1.00 1.39  1   I  1 
HETATM 1920 C C31 . LIG_I  I  9  .   ? 15.218  9.740   -24.009 1.00 1.33  1   I  1 
HETATM 1921 C C32 . LIG_I  I  9  .   ? 14.885  9.546   -22.999 1.00 1.50  1   I  1 
HETATM 1922 C C33 . LIG_I  I  9  .   ? 14.654  9.329   -21.971 1.00 1.42  1   I  1 
HETATM 1923 C C34 . LIG_I  I  9  .   ? 14.524  9.082   -20.928 1.00 1.45  1   I  1 
HETATM 1924 C C35 . LIG_I  I  9  .   ? 14.582  8.809   -19.890 1.00 1.47  1   I  1 
HETATM 1925 C C36 . LIG_I  I  9  .   ? 14.797  8.523   -18.869 1.00 1.53  1   I  1 
HETATM 1926 C C37 . LIG_I  I  9  .   ? 15.168  8.221   -17.886 1.00 1.56  1   I  1 
HETATM 1927 C C38 . LIG_I  I  9  .   ? 15.654  7.912   -16.968 1.00 1.43  1   I  1 
HETATM 1928 C C39 . LIG_I  I  9  .   ? 16.350  7.457   -16.261 1.00 1.48  1   I  1 
HETATM 1929 C C40 . LIG_I  I  9  .   ? 17.201  6.811   -16.008 1.00 1.60  1   I  1 
HETATM 1930 C C41 . LIG_I  I  9  .   ? 18.028  6.144   -15.890 1.00 1.39  1   I  1 
HETATM 1931 C C42 . LIG_I  I  9  .   ? 18.822  5.439   -15.858 1.00 1.38  1   I  1 
HETATM 1932 C C43 . LIG_I  I  9  .   ? 19.528  4.672   -15.741 1.00 1.28  1   I  1 
HETATM 1933 C C44 . LIG_I  I  9  .   ? 20.247  3.786   -15.554 1.00 1.33  1   I  1 
HETATM 1934 C C1  . LIG_J  J  10 .   ? 14.520  3.918   -16.390 1.00 1.88  1   J  1 
HETATM 1935 C C2  . LIG_J  J  10 .   ? 15.190  3.695   -15.764 1.00 1.86  1   J  1 
HETATM 1936 C C3  . LIG_J  J  10 .   ? 15.697  3.281   -14.851 1.00 1.86  1   J  1 
HETATM 1937 C C4  . LIG_J  J  10 .   ? 16.068  2.850   -13.911 1.00 2.05  1   J  1 
HETATM 1938 C C5  . LIG_J  J  10 .   ? 16.351  2.379   -12.956 1.00 1.87  1   J  1 
HETATM 1939 C C6  . LIG_J  J  10 .   ? 16.536  1.882   -11.979 1.00 1.72  1   J  1 
HETATM 1940 C C7  . LIG_J  J  10 .   ? 16.662  1.370   -11.009 1.00 1.78  1   J  1 
HETATM 1941 C C8  . LIG_J  J  10 .   ? 16.749  0.827   -10.054 1.00 1.76  1   J  1 
HETATM 1942 C C9  . LIG_J  J  10 .   ? 16.820  0.265   -9.119  1.00 1.97  1   J  1 
HETATM 1943 C C10 . LIG_J  J  10 .   ? 16.882  -0.345  -8.155  1.00 2.10  1   J  1 
HETATM 1944 C C11 . LIG_J  J  10 .   ? 16.944  -0.965  -7.234  1.00 1.96  1   J  1 
HETATM 1945 C C12 . LIG_J  J  10 .   ? 16.959  -1.581  -6.287  1.00 2.12  1   J  1 
HETATM 1946 C C13 . LIG_J  J  10 .   ? 16.984  -2.189  -5.359  1.00 1.62  1   J  1 
HETATM 1947 C C14 . LIG_J  J  10 .   ? 16.897  -2.817  -4.430  1.00 1.61  1   J  1 
HETATM 1948 C C15 . LIG_J  J  10 .   ? 16.884  -3.409  -3.503  1.00 1.64  1   J  1 
HETATM 1949 C C16 . LIG_J  J  10 .   ? 16.617  -4.032  -2.567  1.00 1.71  1   J  1 
HETATM 1950 C C17 . LIG_J  J  10 .   ? 16.639  -4.609  -1.645  1.00 1.42  1   J  1 
HETATM 1951 C C18 . LIG_J  J  10 .   ? 15.928  -5.239  -0.780  1.00 1.54  1   J  1 
HETATM 1952 O O1  . LIG_J  J  10 .   ? 16.417  -5.684  0.184   1.00 2.48  1   J  1 
HETATM 1953 O O2  . LIG_J  J  10 .   ? 14.722  -5.281  -1.059  1.00 2.23  1   J  1 
HETATM 1954 C C19 . LIG_J  J  10 .   ? 13.924  -5.929  -0.226  1.00 1.64  1   J  1 
HETATM 1955 C C20 . LIG_J  J  10 .   ? 12.527  -5.741  -0.519  1.00 1.96  1   J  1 
HETATM 1956 C C21 . LIG_J  J  10 .   ? 11.730  -6.922  -0.102  1.00 2.02  1   J  1 
HETATM 1957 O O3  . LIG_J  J  10 .   ? 11.642  -6.985  1.216   1.00 2.07  1   J  1 
HETATM 1958 P P1  . LIG_J  J  10 .   ? 11.008  -8.230  1.873   1.00 1.97  1   J  1 
HETATM 1959 O O4  . LIG_J  J  10 .   ? 11.079  -8.031  3.292   1.00 2.15  1   J  1 
HETATM 1960 O O5  . LIG_J  J  10 .   ? 9.750   -8.506  1.313   1.00 2.40  1   J  1 
HETATM 1961 O O6  . LIG_J  J  10 .   ? 11.965  -9.331  1.404   1.00 2.00  1   J  1 
HETATM 1962 C C22 . LIG_J  J  10 .   ? 13.109  -9.569  1.937   1.00 2.32  1   J  1 
HETATM 1963 C C23 . LIG_J  J  10 .   ? 14.060  -10.030 1.034   1.00 1.98  1   J  1 
HETATM 1964 N N1  . LIG_J  J  10 .   ? 14.807  -11.105 1.440   1.00 3.19  1   J  1 
HETATM 1965 C C24 . LIG_J  J  10 .   ? 15.998  -11.058 0.720   1.00 2.00  1   J  1 
HETATM 1966 C C25 . LIG_J  J  10 .   ? 15.063  -11.063 2.827   1.00 2.24  1   J  1 
HETATM 1967 C C26 . LIG_J  J  10 .   ? 14.084  -12.276 1.122   1.00 2.60  1   J  1 
HETATM 1968 O O7  . LIG_J  J  10 .   ? 12.340  -5.630  -1.869  1.00 1.96  1   J  1 
HETATM 1969 C C27 . LIG_J  J  10 .   ? 11.788  -4.565  -2.227  1.00 2.09  1   J  1 
HETATM 1970 O O8  . LIG_J  J  10 .   ? 11.196  -3.877  -1.462  1.00 2.00  1   J  1 
HETATM 1971 C C28 . LIG_J  J  10 .   ? 11.940  -4.268  -3.465  1.00 1.88  1   J  1 
HETATM 1972 C C29 . LIG_J  J  10 .   ? 11.924  -3.455  -4.195  1.00 1.99  1   J  1 
HETATM 1973 C C30 . LIG_J  J  10 .   ? 12.035  -2.876  -5.147  1.00 1.98  1   J  1 
HETATM 1974 C C31 . LIG_J  J  10 .   ? 12.110  -2.225  -6.037  1.00 1.68  1   J  1 
HETATM 1975 C C32 . LIG_J  J  10 .   ? 12.181  -1.652  -6.988  1.00 1.86  1   J  1 
HETATM 1976 C C33 . LIG_J  J  10 .   ? 12.228  -1.068  -7.938  1.00 1.70  1   J  1 
HETATM 1977 C C34 . LIG_J  J  10 .   ? 12.243  -0.494  -8.915  1.00 1.67  1   J  1 
HETATM 1978 C C35 . LIG_J  J  10 .   ? 12.233  0.079   -9.882  1.00 1.70  1   J  1 
HETATM 1979 C C36 . LIG_J  J  10 .   ? 12.214  0.647   -10.861 1.00 1.75  1   J  1 
HETATM 1980 C C37 . LIG_J  J  10 .   ? 12.196  1.211   -11.832 1.00 1.77  1   J  1 
HETATM 1981 C C38 . LIG_J  J  10 .   ? 12.189  1.770   -12.805 1.00 1.59  1   J  1 
HETATM 1982 C C39 . LIG_J  J  10 .   ? 12.204  2.322   -13.786 1.00 1.69  1   J  1 
HETATM 1983 C C40 . LIG_J  J  10 .   ? 12.287  2.849   -14.770 1.00 1.80  1   J  1 
HETATM 1984 C C41 . LIG_J  J  10 .   ? 12.419  3.351   -15.756 1.00 1.45  1   J  1 
HETATM 1985 C C42 . LIG_J  J  10 .   ? 12.548  3.799   -16.702 1.00 1.42  1   J  1 
HETATM 1986 C C43 . LIG_J  J  10 .   ? 12.619  4.251   -17.675 1.00 1.34  1   J  1 
HETATM 1987 C C44 . LIG_J  J  10 .   ? 12.624  4.738   -18.727 1.00 1.40  1   J  1 
HETATM 1988 C C1  . LIG_K  K  11 .   ? 1.747   19.552  -13.713 1.00 1.75  1   K  1 
HETATM 1989 C C2  . LIG_K  K  11 .   ? 2.423   18.936  -13.993 1.00 1.87  1   K  1 
HETATM 1990 C C3  . LIG_K  K  11 .   ? 2.616   18.166  -14.754 1.00 1.75  1   K  1 
HETATM 1991 C C4  . LIG_K  K  11 .   ? 2.309   17.410  -15.420 1.00 1.94  1   K  1 
HETATM 1992 C C5  . LIG_K  K  11 .   ? 1.995   16.671  -16.125 1.00 1.72  1   K  1 
HETATM 1993 C C6  . LIG_K  K  11 .   ? 1.628   15.937  -16.835 1.00 1.59  1   K  1 
HETATM 1994 C C7  . LIG_K  K  11 .   ? 1.292   15.291  -17.598 1.00 1.56  1   K  1 
HETATM 1995 C C8  . LIG_K  K  11 .   ? 0.922   14.751  -18.451 1.00 1.47  1   K  1 
HETATM 1996 C C9  . LIG_K  K  11 .   ? 0.580   14.479  -19.405 1.00 1.58  1   K  1 
HETATM 1997 C C10 . LIG_K  K  11 .   ? 0.256   14.450  -20.433 1.00 1.74  1   K  1 
HETATM 1998 C C11 . LIG_K  K  11 .   ? -0.032  14.783  -21.393 1.00 1.57  1   K  1 
HETATM 1999 C C12 . LIG_K  K  11 .   ? -0.294  15.300  -22.310 1.00 1.65  1   K  1 
HETATM 2000 C C13 . LIG_K  K  11 .   ? -0.517  15.998  -23.109 1.00 1.33  1   K  1 
HETATM 2001 C C14 . LIG_K  K  11 .   ? -0.714  16.669  -23.947 1.00 1.36  1   K  1 
HETATM 2002 C C15 . LIG_K  K  11 .   ? -0.892  17.438  -24.691 1.00 1.36  1   K  1 
HETATM 2003 C C16 . LIG_K  K  11 .   ? -0.995  18.123  -25.562 1.00 1.33  1   K  1 
HETATM 2004 C C17 . LIG_K  K  11 .   ? -1.021  18.976  -26.241 1.00 1.23  1   K  1 
HETATM 2005 C C18 . LIG_K  K  11 .   ? -0.849  19.340  -27.461 1.00 1.22  1   K  1 
HETATM 2006 O O1  . LIG_K  K  11 .   ? -1.073  18.574  -28.309 1.00 1.72  1   K  1 
HETATM 2007 O O2  . LIG_K  K  11 .   ? -0.396  20.445  -27.647 1.00 1.59  1   K  1 
HETATM 2008 C C19 . LIG_K  K  11 .   ? -0.015  20.682  -28.886 1.00 1.20  1   K  1 
HETATM 2009 C C20 . LIG_K  K  11 .   ? 0.745   21.909  -29.007 1.00 1.24  1   K  1 
HETATM 2010 C C21 . LIG_K  K  11 .   ? 1.429   21.961  -30.305 1.00 1.26  1   K  1 
HETATM 2011 O O3  . LIG_K  K  11 .   ? 0.529   22.178  -31.227 1.00 1.32  1   K  1 
HETATM 2012 P P1  . LIG_K  K  11 .   ? 0.900   22.637  -32.647 1.00 1.28  1   K  1 
HETATM 2013 O O4  . LIG_K  K  11 .   ? 0.832   21.512  -33.496 1.00 1.24  1   K  1 
HETATM 2014 O O5  . LIG_K  K  11 .   ? 0.152   23.781  -32.922 1.00 1.23  1   K  1 
HETATM 2015 O O6  . LIG_K  K  11 .   ? 2.395   23.014  -32.471 1.00 1.26  1   K  1 
HETATM 2016 C C22 . LIG_K  K  11 .   ? 3.116   23.494  -33.411 1.00 1.34  1   K  1 
HETATM 2017 C C23 . LIG_K  K  11 .   ? 4.462   23.087  -33.336 1.00 1.35  1   K  1 
HETATM 2018 N N1  . LIG_K  K  11 .   ? 5.359   23.915  -32.699 1.00 2.09  1   K  1 
HETATM 2019 C C24 . LIG_K  K  11 .   ? 6.501   23.166  -32.451 1.00 1.41  1   K  1 
HETATM 2020 C C25 . LIG_K  K  11 .   ? 5.646   25.013  -33.532 1.00 1.41  1   K  1 
HETATM 2021 C C26 . LIG_K  K  11 .   ? 4.842   24.372  -31.460 1.00 1.51  1   K  1 
HETATM 2022 O O7  . LIG_K  K  11 .   ? 1.704   21.937  -28.017 1.00 1.37  1   K  1 
HETATM 2023 C C27 . LIG_K  K  11 .   ? 1.833   23.041  -27.429 1.00 1.38  1   K  1 
HETATM 2024 O O8  . LIG_K  K  11 .   ? 1.397   24.043  -27.858 1.00 1.44  1   K  1 
HETATM 2025 C C28 . LIG_K  K  11 .   ? 2.414   22.954  -26.267 1.00 1.30  1   K  1 
HETATM 2026 C C29 . LIG_K  K  11 .   ? 1.992   22.478  -25.290 1.00 1.40  1   K  1 
HETATM 2027 C C30 . LIG_K  K  11 .   ? 1.519   22.030  -24.433 1.00 1.44  1   K  1 
HETATM 2028 C C31 . LIG_K  K  11 .   ? 1.004   21.582  -23.534 1.00 1.37  1   K  1 
HETATM 2029 C C32 . LIG_K  K  11 .   ? 0.499   21.173  -22.664 1.00 1.57  1   K  1 
HETATM 2030 C C33 . LIG_K  K  11 .   ? -0.039  20.834  -21.786 1.00 1.45  1   K  1 
HETATM 2031 C C34 . LIG_K  K  11 .   ? -0.597  20.611  -20.874 1.00 1.48  1   K  1 
HETATM 2032 C C35 . LIG_K  K  11 .   ? -1.116  20.469  -19.938 1.00 1.49  1   K  1 
HETATM 2033 C C36 . LIG_K  K  11 .   ? -1.509  20.412  -18.939 1.00 1.54  1   K  1 
HETATM 2034 C C37 . LIG_K  K  11 .   ? -1.552  20.529  -17.874 1.00 1.58  1   K  1 
HETATM 2035 C C38 . LIG_K  K  11 .   ? -1.281  20.738  -16.867 1.00 1.40  1   K  1 
HETATM 2036 C C39 . LIG_K  K  11 .   ? -0.921  20.913  -15.875 1.00 1.49  1   K  1 
HETATM 2037 C C40 . LIG_K  K  11 .   ? -0.439  21.084  -14.946 1.00 1.60  1   K  1 
HETATM 2038 C C41 . LIG_K  K  11 .   ? 0.101   21.242  -14.044 1.00 1.40  1   K  1 
HETATM 2039 C C42 . LIG_K  K  11 .   ? 0.609   21.420  -13.172 1.00 1.37  1   K  1 
HETATM 2040 C C43 . LIG_K  K  11 .   ? 1.047   21.591  -12.259 1.00 1.28  1   K  1 
HETATM 2041 C C44 . LIG_K  K  11 .   ? 1.406   21.842  -11.213 1.00 1.38  1   K  1 
HETATM 2042 C C1  . LIG_L  L  12 .   ? -6.556  18.934  -16.426 1.00 1.92  1   L  1 
HETATM 2043 C C2  . LIG_L  L  12 .   ? -5.759  18.286  -16.620 1.00 1.85  1   L  1 
HETATM 2044 C C3  . LIG_L  L  12 .   ? -5.611  17.286  -16.207 1.00 1.77  1   L  1 
HETATM 2045 C C4  . LIG_L  L  12 .   ? -6.221  16.618  -15.598 1.00 1.94  1   L  1 
HETATM 2046 C C5  . LIG_L  L  12 .   ? -7.028  16.173  -14.998 1.00 1.80  1   L  1 
HETATM 2047 C C6  . LIG_L  L  12 .   ? -7.900  15.826  -14.385 1.00 1.59  1   L  1 
HETATM 2048 C C7  . LIG_L  L  12 .   ? -8.762  15.575  -13.778 1.00 1.60  1   L  1 
HETATM 2049 C C8  . LIG_L  L  12 .   ? -9.628  15.375  -13.119 1.00 1.56  1   L  1 
HETATM 2050 C C9  . LIG_L  L  12 .   ? -10.470 15.193  -12.449 1.00 1.65  1   L  1 
HETATM 2051 C C10 . LIG_L  L  12 .   ? -11.312 14.992  -11.712 1.00 1.83  1   L  1 
HETATM 2052 C C11 . LIG_L  L  12 .   ? -12.075 14.803  -10.944 1.00 1.66  1   L  1 
HETATM 2053 C C12 . LIG_L  L  12 .   ? -12.817 14.567  -10.114 1.00 1.79  1   L  1 
HETATM 2054 C C13 . LIG_L  L  12 .   ? -13.429 14.319  -9.223  1.00 1.40  1   L  1 
HETATM 2055 C C14 . LIG_L  L  12 .   ? -14.048 14.028  -8.303  1.00 1.40  1   L  1 
HETATM 2056 C C15 . LIG_L  L  12 .   ? -14.480 13.744  -7.334  1.00 1.37  1   L  1 
HETATM 2057 C C16 . LIG_L  L  12 .   ? -15.054 13.365  -6.390  1.00 1.36  1   L  1 
HETATM 2058 C C17 . LIG_L  L  12 .   ? -15.197 13.069  -5.340  1.00 1.22  1   L  1 
HETATM 2059 C C18 . LIG_L  L  12 .   ? -16.019 12.586  -4.455  1.00 1.26  1   L  1 
HETATM 2060 O O1  . LIG_L  L  12 .   ? -17.111 12.269  -4.753  1.00 1.77  1   L  1 
HETATM 2061 O O2  . LIG_L  L  12 .   ? -15.530 12.464  -3.324  1.00 1.61  1   L  1 
HETATM 2062 C C19 . LIG_L  L  12 .   ? -16.349 12.055  -2.384  1.00 1.21  1   L  1 
HETATM 2063 C C20 . LIG_L  L  12 .   ? -16.035 12.626  -1.089  1.00 1.27  1   L  1 
HETATM 2064 C C21 . LIG_L  L  12 .   ? -17.242 12.584  -0.241  1.00 1.24  1   L  1 
HETATM 2065 O O3  . LIG_L  L  12 .   ? -17.148 11.596  0.646   1.00 1.32  1   L  1 
HETATM 2066 P P1  . LIG_L  L  12 .   ? -18.208 11.436  1.770   1.00 1.28  1   L  1 
HETATM 2067 O O4  . LIG_L  L  12 .   ? -19.432 10.976  1.205   1.00 1.21  1   L  1 
HETATM 2068 O O5  . LIG_L  L  12 .   ? -17.623 10.693  2.832   1.00 1.26  1   L  1 
HETATM 2069 O O6  . LIG_L  L  12 .   ? -18.349 12.915  2.222   1.00 1.26  1   L  1 
HETATM 2070 C C22 . LIG_L  L  12 .   ? -19.146 13.330  3.116   1.00 1.31  1   L  1 
HETATM 2071 C C23 . LIG_L  L  12 .   ? -18.828 14.607  3.564   1.00 1.26  1   L  1 
HETATM 2072 N N1  . LIG_L  L  12 .   ? -18.737 15.628  2.643   1.00 1.84  1   L  1 
HETATM 2073 C C24 . LIG_L  L  12 .   ? -18.750 16.802  3.336   1.00 1.27  1   L  1 
HETATM 2074 C C25 . LIG_L  L  12 .   ? -19.806 15.562  1.721   1.00 1.33  1   L  1 
HETATM 2075 C C26 . LIG_L  L  12 .   ? -17.496 15.563  1.980   1.00 1.37  1   L  1 
HETATM 2076 O O7  . LIG_L  L  12 .   ? -15.657 13.946  -1.266  1.00 1.38  1   L  1 
HETATM 2077 C C27 . LIG_L  L  12 .   ? -14.676 14.368  -0.598  1.00 1.39  1   L  1 
HETATM 2078 O O8  . LIG_L  L  12 .   ? -14.423 13.967  0.479   1.00 1.47  1   L  1 
HETATM 2079 C C28 . LIG_L  L  12 .   ? -13.968 15.271  -1.192  1.00 1.33  1   L  1 
HETATM 2080 C C29 . LIG_L  L  12 .   ? -13.435 15.556  -2.116  1.00 1.47  1   L  1 
HETATM 2081 C C30 . LIG_L  L  12 .   ? -12.811 16.038  -2.930  1.00 1.51  1   L  1 
HETATM 2082 C C31 . LIG_L  L  12 .   ? -12.258 16.379  -3.837  1.00 1.47  1   L  1 
HETATM 2083 C C32 . LIG_L  L  12 .   ? -11.744 16.786  -4.738  1.00 1.64  1   L  1 
HETATM 2084 C C33 . LIG_L  L  12 .   ? -11.311 17.156  -5.709  1.00 1.53  1   L  1 
HETATM 2085 C C34 . LIG_L  L  12 .   ? -10.940 17.543  -6.712  1.00 1.49  1   L  1 
HETATM 2086 C C35 . LIG_L  L  12 .   ? -10.641 17.918  -7.740  1.00 1.52  1   L  1 
HETATM 2087 C C36 . LIG_L  L  12 .   ? -10.359 18.283  -8.790  1.00 1.56  1   L  1 
HETATM 2088 C C37 . LIG_L  L  12 .   ? -10.065 18.643  -9.840  1.00 1.57  1   L  1 
HETATM 2089 C C38 . LIG_L  L  12 .   ? -9.754  18.990  -10.899 1.00 1.44  1   L  1 
HETATM 2090 C C39 . LIG_L  L  12 .   ? -9.414  19.319  -11.969 1.00 1.53  1   L  1 
HETATM 2091 C C40 . LIG_L  L  12 .   ? -9.023  19.622  -13.018 1.00 1.68  1   L  1 
HETATM 2092 C C41 . LIG_L  L  12 .   ? -8.638  19.917  -14.054 1.00 1.44  1   L  1 
HETATM 2093 C C42 . LIG_L  L  12 .   ? -8.299  20.204  -15.050 1.00 1.45  1   L  1 
HETATM 2094 C C43 . LIG_L  L  12 .   ? -8.088  20.578  -16.050 1.00 1.32  1   L  1 
HETATM 2095 C C44 . LIG_L  L  12 .   ? -7.940  21.067  -17.144 1.00 1.38  1   L  1 
HETATM 2096 C C1  . LIG_M  M  13 .   ? 4.040   -1.996  -24.296 1.00 2.37  1   M  1 
HETATM 2097 C C2  . LIG_M  M  13 .   ? 5.081   -2.165  -24.360 1.00 2.18  1   M  1 
HETATM 2098 C C3  . LIG_M  M  13 .   ? 5.847   -2.596  -23.663 1.00 2.20  1   M  1 
HETATM 2099 C C4  . LIG_M  M  13 .   ? 5.975   -2.899  -22.605 1.00 2.38  1   M  1 
HETATM 2100 C C5  . LIG_M  M  13 .   ? 5.923   -3.148  -21.549 1.00 2.12  1   M  1 
HETATM 2101 C C6  . LIG_M  M  13 .   ? 5.716   -3.381  -20.484 1.00 2.02  1   M  1 
HETATM 2102 C C7  . LIG_M  M  13 .   ? 5.412   -3.590  -19.463 1.00 2.08  1   M  1 
HETATM 2103 C C8  . LIG_M  M  13 .   ? 5.018   -3.793  -18.447 1.00 2.00  1   M  1 
HETATM 2104 C C9  . LIG_M  M  13 .   ? 4.562   -3.997  -17.482 1.00 2.27  1   M  1 
HETATM 2105 C C10 . LIG_M  M  13 .   ? 4.039   -4.200  -16.495 1.00 2.55  1   M  1 
HETATM 2106 C C11 . LIG_M  M  13 .   ? 3.493   -4.420  -15.569 1.00 2.38  1   M  1 
HETATM 2107 C C12 . LIG_M  M  13 .   ? 2.905   -4.686  -14.652 1.00 2.84  1   M  1 
HETATM 2108 C C13 . LIG_M  M  13 .   ? 2.290   -5.004  -13.795 1.00 2.00  1   M  1 
HETATM 2109 C C14 . LIG_M  M  13 .   ? 1.700   -5.404  -12.931 1.00 2.13  1   M  1 
HETATM 2110 C C15 . LIG_M  M  13 .   ? 1.113   -5.816  -12.119 1.00 2.24  1   M  1 
HETATM 2111 C C16 . LIG_M  M  13 .   ? 0.640   -6.292  -11.191 1.00 2.35  1   M  1 
HETATM 2112 C C17 . LIG_M  M  13 .   ? 0.139   -6.717  -10.404 1.00 1.90  1   M  1 
HETATM 2113 C C18 . LIG_M  M  13 .   ? -0.108  -7.303  -9.322  1.00 2.20  1   M  1 
HETATM 2114 O O1  . LIG_M  M  13 .   ? 0.087   -6.790  -8.300  1.00 3.26  1   M  1 
HETATM 2115 O O2  . LIG_M  M  13 .   ? -0.525  -8.408  -9.487  1.00 2.82  1   M  1 
HETATM 2116 C C19 . LIG_M  M  13 .   ? -0.687  -9.173  -8.445  1.00 2.62  1   M  1 
HETATM 2117 C C20 . LIG_M  M  13 .   ? -1.228  -10.457 -8.915  1.00 3.65  1   M  1 
HETATM 2118 C C21 . LIG_M  M  13 .   ? -1.758  -11.215 -7.782  1.00 3.42  1   M  1 
HETATM 2119 O O3  . LIG_M  M  13 .   ? -0.813  -11.811 -7.080  1.00 3.59  1   M  1 
HETATM 2120 P P1  . LIG_M  M  13 .   ? -1.238  -12.823 -5.978  1.00 4.55  1   M  1 
HETATM 2121 O O4  . LIG_M  M  13 .   ? -0.263  -12.784 -4.933  1.00 4.46  1   M  1 
HETATM 2122 O O5  . LIG_M  M  13 .   ? -2.594  -12.691 -5.660  1.00 4.34  1   M  1 
HETATM 2123 O O6  . LIG_M  M  13 .   ? -1.015  -14.157 -6.729  1.00 3.23  1   M  1 
HETATM 2124 C C22 . LIG_M  M  13 .   ? -1.921  -14.912 -7.085  1.00 5.55  1   M  1 
HETATM 2125 C C23 . LIG_M  M  13 .   ? -1.525  -16.218 -7.328  1.00 6.08  1   M  1 
HETATM 2126 N N1  . LIG_M  M  13 .   ? -2.228  -17.196 -6.654  1.00 7.68  1   M  1 
HETATM 2127 C C24 . LIG_M  M  13 .   ? -1.758  -18.454 -7.072  1.00 6.50  1   M  1 
HETATM 2128 C C25 . LIG_M  M  13 .   ? -2.019  -17.066 -5.254  1.00 6.47  1   M  1 
HETATM 2129 C C26 . LIG_M  M  13 .   ? -3.602  -17.066 -6.954  1.00 6.92  1   M  1 
HETATM 2130 O O7  . LIG_M  M  13 .   ? -0.226  -11.140 -9.562  1.00 2.72  1   M  1 
HETATM 2131 C C27 . LIG_M  M  13 .   ? -0.324  -11.131 -10.816 1.00 2.75  1   M  1 
HETATM 2132 O O8  . LIG_M  M  13 .   ? -1.298  -10.690 -11.354 1.00 2.43  1   M  1 
HETATM 2133 C C28 . LIG_M  M  13 .   ? 0.676   -11.559 -11.507 1.00 2.05  1   M  1 
HETATM 2134 C C29 . LIG_M  M  13 .   ? 1.047   -11.110 -12.541 1.00 2.23  1   M  1 
HETATM 2135 C C30 . LIG_M  M  13 .   ? 1.260   -10.511 -13.422 1.00 2.41  1   M  1 
HETATM 2136 C C31 . LIG_M  M  13 .   ? 1.518   -9.942  -14.383 1.00 2.13  1   M  1 
HETATM 2137 C C32 . LIG_M  M  13 .   ? 1.665   -9.327  -15.285 1.00 2.57  1   M  1 
HETATM 2138 C C33 . LIG_M  M  13 .   ? 1.723   -8.693  -16.207 1.00 2.11  1   M  1 
HETATM 2139 C C34 . LIG_M  M  13 .   ? 1.691   -8.042  -17.104 1.00 1.93  1   M  1 
HETATM 2140 C C35 . LIG_M  M  13 .   ? 1.621   -7.378  -17.999 1.00 1.94  1   M  1 
HETATM 2141 C C36 . LIG_M  M  13 .   ? 1.536   -6.699  -18.878 1.00 2.04  1   M  1 
HETATM 2142 C C37 . LIG_M  M  13 .   ? 1.479   -5.993  -19.755 1.00 2.10  1   M  1 
HETATM 2143 C C38 . LIG_M  M  13 .   ? 1.469   -5.292  -20.627 1.00 1.76  1   M  1 
HETATM 2144 C C39 . LIG_M  M  13 .   ? 1.521   -4.578  -21.519 1.00 1.81  1   M  1 
HETATM 2145 C C40 . LIG_M  M  13 .   ? 1.666   -3.879  -22.373 1.00 2.07  1   M  1 
HETATM 2146 C C41 . LIG_M  M  13 .   ? 1.862   -3.177  -23.231 1.00 1.75  1   M  1 
HETATM 2147 C C42 . LIG_M  M  13 .   ? 2.053   -2.497  -24.042 1.00 1.67  1   M  1 
HETATM 2148 C C43 . LIG_M  M  13 .   ? 2.147   -1.777  -24.857 1.00 1.49  1   M  1 
HETATM 2149 C C44 . LIG_M  M  13 .   ? 2.191   -0.990  -25.767 1.00 1.54  1   M  1 
HETATM 2150 C C1  . LIG_N  N  14 .   ? 1.259   29.126  -6.512  1.00 1.77  1   N  1 
HETATM 2151 C C2  . LIG_N  N  14 .   ? 0.495   28.831  -7.214  1.00 1.83  1   N  1 
HETATM 2152 C C3  . LIG_N  N  14 .   ? -0.482  28.316  -7.564  1.00 1.75  1   N  1 
HETATM 2153 C C4  . LIG_N  N  14 .   ? -1.468  27.720  -7.643  1.00 1.94  1   N  1 
HETATM 2154 C C5  . LIG_N  N  14 .   ? -2.441  27.094  -7.614  1.00 1.73  1   N  1 
HETATM 2155 C C6  . LIG_N  N  14 .   ? -3.364  26.428  -7.394  1.00 1.55  1   N  1 
HETATM 2156 C C7  . LIG_N  N  14 .   ? -4.207  25.748  -7.063  1.00 1.55  1   N  1 
HETATM 2157 C C8  . LIG_N  N  14 .   ? -5.006  25.072  -6.629  1.00 1.51  1   N  1 
HETATM 2158 C C9  . LIG_N  N  14 .   ? -5.710  24.386  -6.092  1.00 1.56  1   N  1 
HETATM 2159 C C10 . LIG_N  N  14 .   ? -6.366  23.670  -5.463  1.00 1.69  1   N  1 
HETATM 2160 C C11 . LIG_N  N  14 .   ? -6.918  22.994  -4.757  1.00 1.63  1   N  1 
HETATM 2161 C C12 . LIG_N  N  14 .   ? -7.415  22.297  -3.990  1.00 1.69  1   N  1 
HETATM 2162 C C13 . LIG_N  N  14 .   ? -7.797  21.638  -3.143  1.00 1.37  1   N  1 
HETATM 2163 C C14 . LIG_N  N  14 .   ? -8.235  20.990  -2.296  1.00 1.39  1   N  1 
HETATM 2164 C C15 . LIG_N  N  14 .   ? -8.545  20.375  -1.398  1.00 1.37  1   N  1 
HETATM 2165 C C16 . LIG_N  N  14 .   ? -9.058  19.734  -0.564  1.00 1.36  1   N  1 
HETATM 2166 C C17 . LIG_N  N  14 .   ? -9.234  19.222  0.415   1.00 1.22  1   N  1 
HETATM 2167 C C18 . LIG_N  N  14 .   ? -10.108 18.602  1.166   1.00 1.25  1   N  1 
HETATM 2168 O O1  . LIG_N  N  14 .   ? -11.137 18.254  0.709   1.00 1.70  1   N  1 
HETATM 2169 O O2  . LIG_N  N  14 .   ? -9.766  18.403  2.329   1.00 1.51  1   N  1 
HETATM 2170 C C19 . LIG_N  N  14 .   ? -10.674 17.852  3.125   1.00 1.19  1   N  1 
HETATM 2171 C C20 . LIG_N  N  14 .   ? -10.302 18.049  4.534   1.00 1.23  1   N  1 
HETATM 2172 C C21 . LIG_N  N  14 .   ? -11.367 17.525  5.442   1.00 1.21  1   N  1 
HETATM 2173 O O3  . LIG_N  N  14 .   ? -12.315 18.465  5.645   1.00 1.26  1   N  1 
HETATM 2174 P P1  . LIG_N  N  14 .   ? -13.491 18.210  6.613   1.00 1.18  1   N  1 
HETATM 2175 O O4  . LIG_N  N  14 .   ? -14.127 16.967  6.273   1.00 1.17  1   N  1 
HETATM 2176 O O5  . LIG_N  N  14 .   ? -14.239 19.365  6.740   1.00 1.17  1   N  1 
HETATM 2177 O O6  . LIG_N  N  14 .   ? -12.682 17.958  7.938   1.00 1.21  1   N  1 
HETATM 2178 C C22 . LIG_N  N  14 .   ? -13.221 17.665  9.027   1.00 1.25  1   N  1 
HETATM 2179 C C23 . LIG_N  N  14 .   ? -12.338 17.344  10.039  1.00 1.23  1   N  1 
HETATM 2180 N N1  . LIG_N  N  14 .   ? -12.912 16.913  11.210  1.00 1.70  1   N  1 
HETATM 2181 C C24 . LIG_N  N  14 .   ? -13.674 15.739  10.961  1.00 1.23  1   N  1 
HETATM 2182 C C25 . LIG_N  N  14 .   ? -13.736 17.928  11.750  1.00 1.24  1   N  1 
HETATM 2183 C C26 . LIG_N  N  14 .   ? -11.868 16.612  12.090  1.00 1.25  1   N  1 
HETATM 2184 O O7  . LIG_N  N  14 .   ? -10.180 19.411  4.735   1.00 1.36  1   N  1 
HETATM 2185 C C27 . LIG_N  N  14 .   ? -9.078  19.798  5.242   1.00 1.36  1   N  1 
HETATM 2186 O O8  . LIG_N  N  14 .   ? -8.396  19.072  5.878   1.00 1.39  1   N  1 
HETATM 2187 C C28 . LIG_N  N  14 .   ? -8.764  21.031  4.987   1.00 1.31  1   N  1 
HETATM 2188 C C29 . LIG_N  N  14 .   ? -7.996  21.493  4.221   1.00 1.45  1   N  1 
HETATM 2189 C C30 . LIG_N  N  14 .   ? -7.303  22.020  3.537   1.00 1.51  1   N  1 
HETATM 2190 C C31 . LIG_N  N  14 .   ? -6.547  22.500  2.820   1.00 1.45  1   N  1 
HETATM 2191 C C32 . LIG_N  N  14 .   ? -5.808  23.021  2.169   1.00 1.63  1   N  1 
HETATM 2192 C C33 . LIG_N  N  14 .   ? -5.039  23.560  1.530   1.00 1.50  1   N  1 
HETATM 2193 C C34 . LIG_N  N  14 .   ? -4.255  24.114  0.930   1.00 1.44  1   N  1 
HETATM 2194 C C35 . LIG_N  N  14 .   ? -3.448  24.681  0.348   1.00 1.50  1   N  1 
HETATM 2195 C C36 . LIG_N  N  14 .   ? -2.636  25.251  -0.225  1.00 1.52  1   N  1 
HETATM 2196 C C37 . LIG_N  N  14 .   ? -1.823  25.846  -0.792  1.00 1.51  1   N  1 
HETATM 2197 C C38 . LIG_N  N  14 .   ? -1.028  26.457  -1.361  1.00 1.38  1   N  1 
HETATM 2198 C C39 . LIG_N  N  14 .   ? -0.226  27.092  -1.942  1.00 1.49  1   N  1 
HETATM 2199 C C40 . LIG_N  N  14 .   ? 0.543   27.732  -2.523  1.00 1.58  1   N  1 
HETATM 2200 C C41 . LIG_N  N  14 .   ? 1.288   28.378  -3.120  1.00 1.39  1   N  1 
HETATM 2201 C C42 . LIG_N  N  14 .   ? 2.018   29.005  -3.643  1.00 1.40  1   N  1 
HETATM 2202 C C43 . LIG_N  N  14 .   ? 2.801   29.634  -4.095  1.00 1.30  1   N  1 
HETATM 2203 C C44 . LIG_N  N  14 .   ? 3.720   30.322  -4.453  1.00 1.33  1   N  1 
HETATM 2204 C C1  . LIG_O  O  15 .   ? 19.608  15.402  -3.065  1.00 1.88  1   O  1 
HETATM 2205 C C2  . LIG_O  O  15 .   ? 20.401  15.187  -3.253  1.00 1.84  1   O  1 
HETATM 2206 C C3  . LIG_O  O  15 .   ? 21.201  14.534  -3.031  1.00 1.74  1   O  1 
HETATM 2207 C C4  . LIG_O  O  15 .   ? 21.666  13.789  -2.509  1.00 1.95  1   O  1 
HETATM 2208 C C5  . LIG_O  O  15 .   ? 21.972  13.022  -1.865  1.00 1.79  1   O  1 
HETATM 2209 C C6  . LIG_O  O  15 .   ? 22.068  12.272  -1.112  1.00 1.59  1   O  1 
HETATM 2210 C C7  . LIG_O  O  15 .   ? 22.062  11.568  -0.330  1.00 1.59  1   O  1 
HETATM 2211 C C8  . LIG_O  O  15 .   ? 21.994  10.891  0.503   1.00 1.54  1   O  1 
HETATM 2212 C C9  . LIG_O  O  15 .   ? 21.893  10.230  1.328   1.00 1.67  1   O  1 
HETATM 2213 C C10 . LIG_O  O  15 .   ? 21.769  9.543   2.197   1.00 1.83  1   O  1 
HETATM 2214 C C11 . LIG_O  O  15 .   ? 21.629  8.863   3.028   1.00 1.70  1   O  1 
HETATM 2215 C C12 . LIG_O  O  15 .   ? 21.460  8.159   3.887   1.00 1.83  1   O  1 
HETATM 2216 C C13 . LIG_O  O  15 .   ? 21.269  7.445   4.691   1.00 1.42  1   O  1 
HETATM 2217 C C14 . LIG_O  O  15 .   ? 21.060  6.705   5.522   1.00 1.41  1   O  1 
HETATM 2218 C C15 . LIG_O  O  15 .   ? 20.861  5.961   6.268   1.00 1.38  1   O  1 
HETATM 2219 C C16 . LIG_O  O  15 .   ? 20.615  5.168   7.068   1.00 1.40  1   O  1 
HETATM 2220 C C17 . LIG_O  O  15 .   ? 20.385  4.454   7.723   1.00 1.22  1   O  1 
HETATM 2221 C C18 . LIG_O  O  15 .   ? 20.113  3.592   8.607   1.00 1.27  1   O  1 
HETATM 2222 O O1  . LIG_O  O  15 .   ? 20.592  2.533   8.625   1.00 1.84  1   O  1 
HETATM 2223 O O2  . LIG_O  O  15 .   ? 19.299  4.014   9.369   1.00 1.64  1   O  1 
HETATM 2224 C C19 . LIG_O  O  15 .   ? 19.053  3.322   10.458  1.00 1.18  1   O  1 
HETATM 2225 C C20 . LIG_O  O  15 .   ? 18.389  4.204   11.391  1.00 1.23  1   O  1 
HETATM 2226 C C21 . LIG_O  O  15 .   ? 18.169  3.586   12.690  1.00 1.23  1   O  1 
HETATM 2227 O O3  . LIG_O  O  15 .   ? 19.161  3.989   13.484  1.00 1.32  1   O  1 
HETATM 2228 P P1  . LIG_O  O  15 .   ? 18.990  4.139   14.987  1.00 1.22  1   O  1 
HETATM 2229 O O4  . LIG_O  O  15 .   ? 20.141  4.789   15.475  1.00 1.20  1   O  1 
HETATM 2230 O O5  . LIG_O  O  15 .   ? 17.731  4.633   15.350  1.00 1.23  1   O  1 
HETATM 2231 O O6  . LIG_O  O  15 .   ? 18.994  2.629   15.324  1.00 1.27  1   O  1 
HETATM 2232 C C22 . LIG_O  O  15 .   ? 19.822  2.103   16.053  1.00 1.30  1   O  1 
HETATM 2233 C C23 . LIG_O  O  15 .   ? 19.697  0.735   16.144  1.00 1.27  1   O  1 
HETATM 2234 N N1  . LIG_O  O  15 .   ? 20.038  0.195   17.352  1.00 1.90  1   O  1 
HETATM 2235 C C24 . LIG_O  O  15 .   ? 21.358  0.592   17.683  1.00 1.28  1   O  1 
HETATM 2236 C C25 . LIG_O  O  15 .   ? 19.945  -1.197  17.233  1.00 1.31  1   O  1 
HETATM 2237 C C26 . LIG_O  O  15 .   ? 19.129  0.663   18.330  1.00 1.34  1   O  1 
HETATM 2238 O O7  . LIG_O  O  15 .   ? 17.147  4.530   10.859  1.00 1.40  1   O  1 
HETATM 2239 C C27 . LIG_O  O  15 .   ? 16.981  5.748   10.643  1.00 1.39  1   O  1 
HETATM 2240 O O8  . LIG_O  O  15 .   ? 17.775  6.566   11.010  1.00 1.47  1   O  1 
HETATM 2241 C C28 . LIG_O  O  15 .   ? 15.938  6.038   9.916   1.00 1.32  1   O  1 
HETATM 2242 C C29 . LIG_O  O  15 .   ? 15.940  6.744   8.997   1.00 1.45  1   O  1 
HETATM 2243 C C30 . LIG_O  O  15 .   ? 16.415  7.376   8.240   1.00 1.53  1   O  1 
HETATM 2244 C C31 . LIG_O  O  15 .   ? 16.646  8.066   7.384   1.00 1.47  1   O  1 
HETATM 2245 C C32 . LIG_O  O  15 .   ? 16.961  8.706   6.578   1.00 1.65  1   O  1 
HETATM 2246 C C33 . LIG_O  O  15 .   ? 17.245  9.398   5.762   1.00 1.50  1   O  1 
HETATM 2247 C C34 . LIG_O  O  15 .   ? 17.535  10.083  4.958   1.00 1.49  1   O  1 
HETATM 2248 C C35 . LIG_O  O  15 .   ? 17.781  10.776  4.136   1.00 1.51  1   O  1 
HETATM 2249 C C36 . LIG_O  O  15 .   ? 17.986  11.475  3.310   1.00 1.55  1   O  1 
HETATM 2250 C C37 . LIG_O  O  15 .   ? 18.143  12.192  2.464   1.00 1.56  1   O  1 
HETATM 2251 C C38 . LIG_O  O  15 .   ? 18.238  12.899  1.612   1.00 1.41  1   O  1 
HETATM 2252 C C39 . LIG_O  O  15 .   ? 18.277  13.590  0.724   1.00 1.50  1   O  1 
HETATM 2253 C C40 . LIG_O  O  15 .   ? 18.304  14.233  -0.174  1.00 1.67  1   O  1 
HETATM 2254 C C41 . LIG_O  O  15 .   ? 18.305  14.836  -1.099  1.00 1.41  1   O  1 
HETATM 2255 C C42 . LIG_O  O  15 .   ? 18.233  15.386  -2.016  1.00 1.40  1   O  1 
HETATM 2256 C C43 . LIG_O  O  15 .   ? 18.090  15.925  -2.938  1.00 1.30  1   O  1 
HETATM 2257 C C44 . LIG_O  O  15 .   ? 17.842  16.515  -3.940  1.00 1.34  1   O  1 
HETATM 2258 C C1  . LIG_P  P  16 .   ? 14.988  17.747  -1.246  1.00 1.88  1   P  1 
HETATM 2259 C C2  . LIG_P  P  16 .   ? 15.556  17.707  -0.505  1.00 1.84  1   P  1 
HETATM 2260 C C3  . LIG_P  P  16 .   ? 15.619  17.199  0.462   1.00 1.73  1   P  1 
HETATM 2261 C C4  . LIG_P  P  16 .   ? 15.290  16.520  1.213   1.00 1.93  1   P  1 
HETATM 2262 C C5  . LIG_P  P  16 .   ? 14.983  15.815  1.955   1.00 1.77  1   P  1 
HETATM 2263 C C6  . LIG_P  P  16 .   ? 14.585  15.079  2.644   1.00 1.63  1   P  1 
HETATM 2264 C C7  . LIG_P  P  16 .   ? 14.220  14.359  3.339   1.00 1.64  1   P  1 
HETATM 2265 C C8  . LIG_P  P  16 .   ? 13.851  13.625  4.037   1.00 1.61  1   P  1 
HETATM 2266 C C9  . LIG_P  P  16 .   ? 13.501  12.905  4.746   1.00 1.74  1   P  1 
HETATM 2267 C C10 . LIG_P  P  16 .   ? 13.143  12.161  5.508   1.00 1.89  1   P  1 
HETATM 2268 C C11 . LIG_P  P  16 .   ? 12.840  11.438  6.261   1.00 1.78  1   P  1 
HETATM 2269 C C12 . LIG_P  P  16 .   ? 12.518  10.722  7.041   1.00 1.91  1   P  1 
HETATM 2270 C C13 . LIG_P  P  16 .   ? 12.262  10.022  7.842   1.00 1.49  1   P  1 
HETATM 2271 C C14 . LIG_P  P  16 .   ? 11.912  9.384   8.673   1.00 1.45  1   P  1 
HETATM 2272 C C15 . LIG_P  P  16 .   ? 11.712  8.714   9.510   1.00 1.47  1   P  1 
HETATM 2273 C C16 . LIG_P  P  16 .   ? 11.291  8.195   10.426  1.00 1.42  1   P  1 
HETATM 2274 C C17 . LIG_P  P  16 .   ? 11.180  7.607   11.348  1.00 1.26  1   P  1 
HETATM 2275 C C18 . LIG_P  P  16 .   ? 10.313  7.396   12.274  1.00 1.29  1   P  1 
HETATM 2276 O O1  . LIG_P  P  16 .   ? 10.561  6.731   13.207  1.00 1.88  1   P  1 
HETATM 2277 O O2  . LIG_P  P  16 .   ? 9.241   7.977   12.058  1.00 1.76  1   P  1 
HETATM 2278 C C19 . LIG_P  P  16 .   ? 8.284   7.799   12.929  1.00 1.24  1   P  1 
HETATM 2279 C C20 . LIG_P  P  16 .   ? 7.155   8.688   12.774  1.00 1.32  1   P  1 
HETATM 2280 C C21 . LIG_P  P  16 .   ? 5.985   8.078   13.429  1.00 1.33  1   P  1 
HETATM 2281 O O3  . LIG_P  P  16 .   ? 5.951   8.448   14.711  1.00 1.41  1   P  1 
HETATM 2282 P P1  . LIG_P  P  16 .   ? 4.894   7.886   15.651  1.00 1.37  1   P  1 
HETATM 2283 O O4  . LIG_P  P  16 .   ? 3.667   7.683   14.952  1.00 1.31  1   P  1 
HETATM 2284 O O5  . LIG_P  P  16 .   ? 4.895   8.599   16.849  1.00 1.30  1   P  1 
HETATM 2285 O O6  . LIG_P  P  16 .   ? 5.528   6.481   15.848  1.00 1.42  1   P  1 
HETATM 2286 C C22 . LIG_P  P  16 .   ? 5.270   5.712   16.813  1.00 1.54  1   P  1 
HETATM 2287 C C23 . LIG_P  P  16 .   ? 5.581   4.395   16.485  1.00 1.53  1   P  1 
HETATM 2288 N N1  . LIG_P  P  16 .   ? 4.655   3.655   15.797  1.00 2.76  1   P  1 
HETATM 2289 C C24 . LIG_P  P  16 .   ? 4.990   3.671   14.436  1.00 1.87  1   P  1 
HETATM 2290 C C25 . LIG_P  P  16 .   ? 4.708   2.371   16.315  1.00 1.92  1   P  1 
HETATM 2291 C C26 . LIG_P  P  16 .   ? 3.345   4.171   15.971  1.00 1.98  1   P  1 
HETATM 2292 O O7  . LIG_P  P  16 .   ? 6.832   8.829   11.434  1.00 1.51  1   P  1 
HETATM 2293 C C27 . LIG_P  P  16 .   ? 6.810   10.015  11.009  1.00 1.50  1   P  1 
HETATM 2294 O O8  . LIG_P  P  16 .   ? 6.921   10.956  11.728  1.00 1.55  1   P  1 
HETATM 2295 C C28 . LIG_P  P  16 .   ? 6.703   10.127  9.721   1.00 1.39  1   P  1 
HETATM 2296 C C29 . LIG_P  P  16 .   ? 6.995   10.844  8.916   1.00 1.57  1   P  1 
HETATM 2297 C C30 . LIG_P  P  16 .   ? 7.197   11.286  7.907   1.00 1.58  1   P  1 
HETATM 2298 C C31 . LIG_P  P  16 .   ? 7.495   11.838  6.996   1.00 1.49  1   P  1 
HETATM 2299 C C32 . LIG_P  P  16 .   ? 7.777   12.290  6.034   1.00 1.69  1   P  1 
HETATM 2300 C C33 . LIG_P  P  16 .   ? 8.156   12.760  5.105   1.00 1.56  1   P  1 
HETATM 2301 C C34 . LIG_P  P  16 .   ? 8.578   13.202  4.172   1.00 1.53  1   P  1 
HETATM 2302 C C35 . LIG_P  P  16 .   ? 9.040   13.645  3.268   1.00 1.53  1   P  1 
HETATM 2303 C C36 . LIG_P  P  16 .   ? 9.518   14.129  2.379   1.00 1.59  1   P  1 
HETATM 2304 C C37 . LIG_P  P  16 .   ? 10.020  14.643  1.520   1.00 1.61  1   P  1 
HETATM 2305 C C38 . LIG_P  P  16 .   ? 10.566  15.192  0.695   1.00 1.43  1   P  1 
HETATM 2306 C C39 . LIG_P  P  16 .   ? 11.151  15.776  -0.069  1.00 1.57  1   P  1 
HETATM 2307 C C40 . LIG_P  P  16 .   ? 11.786  16.371  -0.763  1.00 1.60  1   P  1 
HETATM 2308 C C41 . LIG_P  P  16 .   ? 12.476  16.985  -1.389  1.00 1.41  1   P  1 
HETATM 2309 C C42 . LIG_P  P  16 .   ? 13.138  17.586  -1.973  1.00 1.39  1   P  1 
HETATM 2310 C C43 . LIG_P  P  16 .   ? 13.733  18.178  -2.637  1.00 1.29  1   P  1 
HETATM 2311 C C44 . LIG_P  P  16 .   ? 14.312  18.831  -3.425  1.00 1.34  1   P  1 
HETATM 2312 C C1  . LIG_Q  Q  17 .   ? -9.576  16.382  -21.379 1.00 1.91  1   Q  1 
HETATM 2313 C C2  . LIG_Q  Q  17 .   ? -10.367 15.691  -21.054 1.00 1.94  1   Q  1 
HETATM 2314 C C3  . LIG_Q  Q  17 .   ? -10.552 14.730  -21.480 1.00 1.90  1   Q  1 
HETATM 2315 C C4  . LIG_Q  Q  17 .   ? -10.121 14.060  -22.221 1.00 2.04  1   Q  1 
HETATM 2316 C C5  . LIG_Q  Q  17 .   ? -9.571  13.552  -22.974 1.00 1.86  1   Q  1 
HETATM 2317 C C6  . LIG_Q  Q  17 .   ? -8.941  13.136  -23.763 1.00 1.61  1   Q  1 
HETATM 2318 C C7  . LIG_Q  Q  17 .   ? -8.307  12.745  -24.493 1.00 1.56  1   Q  1 
HETATM 2319 C C8  . LIG_Q  Q  17 .   ? -7.665  12.358  -25.254 1.00 1.48  1   Q  1 
HETATM 2320 C C9  . LIG_Q  Q  17 .   ? -7.064  11.956  -25.988 1.00 1.61  1   Q  1 
HETATM 2321 C C10 . LIG_Q  Q  17 .   ? -6.449  11.531  -26.770 1.00 1.72  1   Q  1 
HETATM 2322 C C11 . LIG_Q  Q  17 .   ? -5.884  11.136  -27.559 1.00 1.59  1   Q  1 
HETATM 2323 C C12 . LIG_Q  Q  17 .   ? -5.316  10.788  -28.395 1.00 1.72  1   Q  1 
HETATM 2324 C C13 . LIG_Q  Q  17 .   ? -4.840  10.544  -29.294 1.00 1.36  1   Q  1 
HETATM 2325 C C14 . LIG_Q  Q  17 .   ? -4.330  10.438  -30.220 1.00 1.35  1   Q  1 
HETATM 2326 C C15 . LIG_Q  Q  17 .   ? -3.947  10.470  -31.196 1.00 1.35  1   Q  1 
HETATM 2327 C C16 . LIG_Q  Q  17 .   ? -3.457  10.610  -32.164 1.00 1.33  1   Q  1 
HETATM 2328 C C17 . LIG_Q  Q  17 .   ? -3.334  10.778  -33.223 1.00 1.21  1   Q  1 
HETATM 2329 C C18 . LIG_Q  Q  17 .   ? -2.526  10.948  -34.147 1.00 1.23  1   Q  1 
HETATM 2330 O O1  . LIG_Q  Q  17 .   ? -2.772  10.591  -35.224 1.00 1.68  1   Q  1 
HETATM 2331 O O2  . LIG_Q  Q  17 .   ? -1.493  11.492  -33.766 1.00 1.55  1   Q  1 
HETATM 2332 C C19 . LIG_Q  Q  17 .   ? -0.526  11.529  -34.611 1.00 1.19  1   Q  1 
HETATM 2333 C C20 . LIG_Q  Q  17 .   ? 0.597   12.294  -34.177 1.00 1.25  1   Q  1 
HETATM 2334 C C21 . LIG_Q  Q  17 .   ? 1.717   12.115  -35.129 1.00 1.25  1   Q  1 
HETATM 2335 O O3  . LIG_Q  Q  17 .   ? 1.324   12.547  -36.304 1.00 1.30  1   Q  1 
HETATM 2336 P P1  . LIG_Q  Q  17 .   ? 2.121   12.349  -37.616 1.00 1.25  1   Q  1 
HETATM 2337 O O4  . LIG_Q  Q  17 .   ? 1.966   13.536  -38.357 1.00 1.23  1   Q  1 
HETATM 2338 O O5  . LIG_Q  Q  17 .   ? 3.397   11.850  -37.364 1.00 1.19  1   Q  1 
HETATM 2339 O O6  . LIG_Q  Q  17 .   ? 1.279   11.200  -38.188 1.00 1.26  1   Q  1 
HETATM 2340 C C22 . LIG_Q  Q  17 .   ? 0.742   11.096  -39.174 1.00 1.38  1   Q  1 
HETATM 2341 C C23 . LIG_Q  Q  17 .   ? -0.175  10.365  -39.810 1.00 1.37  1   Q  1 
HETATM 2342 N N1  . LIG_Q  Q  17 .   ? -0.916  9.340   -39.284 1.00 2.15  1   Q  1 
HETATM 2343 C C24 . LIG_Q  Q  17 .   ? -1.593  9.744   -38.137 1.00 1.49  1   Q  1 
HETATM 2344 C C25 . LIG_Q  Q  17 .   ? -1.840  8.933   -40.237 1.00 1.49  1   Q  1 
HETATM 2345 C C26 . LIG_Q  Q  17 .   ? -0.071  8.265   -38.957 1.00 1.55  1   Q  1 
HETATM 2346 O O7  . LIG_Q  Q  17 .   ? 1.006   11.838  -32.935 1.00 1.34  1   Q  1 
HETATM 2347 C C27 . LIG_Q  Q  17 .   ? 1.024   12.717  -32.059 1.00 1.41  1   Q  1 
HETATM 2348 O O8  . LIG_Q  Q  17 .   ? 0.914   13.869  -32.330 1.00 1.41  1   Q  1 
HETATM 2349 C C28 . LIG_Q  Q  17 .   ? 1.090   12.308  -30.821 1.00 1.29  1   Q  1 
HETATM 2350 C C29 . LIG_Q  Q  17 .   ? 0.449   12.765  -29.938 1.00 1.40  1   Q  1 
HETATM 2351 C C30 . LIG_Q  Q  17 .   ? -0.406  13.402  -29.638 1.00 1.42  1   Q  1 
HETATM 2352 C C31 . LIG_Q  Q  17 .   ? -1.238  14.019  -29.212 1.00 1.39  1   Q  1 
HETATM 2353 C C32 . LIG_Q  Q  17 .   ? -2.097  14.652  -28.981 1.00 1.58  1   Q  1 
HETATM 2354 C C33 . LIG_Q  Q  17 .   ? -2.963  15.279  -28.769 1.00 1.46  1   Q  1 
HETATM 2355 C C34 . LIG_Q  Q  17 .   ? -3.814  15.887  -28.557 1.00 1.44  1   Q  1 
HETATM 2356 C C35 . LIG_Q  Q  17 .   ? -4.628  16.474  -28.201 1.00 1.53  1   Q  1 
HETATM 2357 C C36 . LIG_Q  Q  17 .   ? -5.354  16.938  -27.541 1.00 1.57  1   Q  1 
HETATM 2358 C C37 . LIG_Q  Q  17 .   ? -5.965  17.267  -26.717 1.00 1.60  1   Q  1 
HETATM 2359 C C38 . LIG_Q  Q  17 .   ? -6.492  17.515  -25.766 1.00 1.43  1   Q  1 
HETATM 2360 C C39 . LIG_Q  Q  17 .   ? -6.994  17.702  -24.791 1.00 1.56  1   Q  1 
HETATM 2361 C C40 . LIG_Q  Q  17 .   ? -7.481  17.833  -23.811 1.00 1.70  1   Q  1 
HETATM 2362 C C41 . LIG_Q  Q  17 .   ? -7.992  17.938  -22.840 1.00 1.50  1   Q  1 
HETATM 2363 C C42 . LIG_Q  Q  17 .   ? -8.546  18.039  -21.925 1.00 1.48  1   Q  1 
HETATM 2364 C C43 . LIG_Q  Q  17 .   ? -9.096  18.168  -21.017 1.00 1.35  1   Q  1 
HETATM 2365 C C44 . LIG_Q  Q  17 .   ? -9.701  18.411  -20.001 1.00 1.41  1   Q  1 
HETATM 2366 C C1  . LIG_R  R  18 .   ? 9.425   20.269  -2.840  1.00 1.84  1   R  1 
HETATM 2367 C C2  . LIG_R  R  18 .   ? 8.736   20.023  -3.411  1.00 1.81  1   R  1 
HETATM 2368 C C3  . LIG_R  R  18 .   ? 7.734   19.570  -3.387  1.00 1.71  1   R  1 
HETATM 2369 C C4  . LIG_R  R  18 .   ? 6.851   19.225  -2.888  1.00 1.89  1   R  1 
HETATM 2370 C C5  . LIG_R  R  18 .   ? 5.977   18.855  -2.331  1.00 1.76  1   R  1 
HETATM 2371 C C6  . LIG_R  R  18 .   ? 5.169   18.466  -1.692  1.00 1.57  1   R  1 
HETATM 2372 C C7  . LIG_R  R  18 .   ? 4.417   18.069  -1.007  1.00 1.63  1   R  1 
HETATM 2373 C C8  . LIG_R  R  18 .   ? 3.694   17.660  -0.285  1.00 1.53  1   R  1 
HETATM 2374 C C9  . LIG_R  R  18 .   ? 3.014   17.246  0.459   1.00 1.69  1   R  1 
HETATM 2375 C C10 . LIG_R  R  18 .   ? 2.334   16.788  1.239   1.00 1.91  1   R  1 
HETATM 2376 C C11 . LIG_R  R  18 .   ? 1.689   16.303  1.993   1.00 1.77  1   R  1 
HETATM 2377 C C12 . LIG_R  R  18 .   ? 1.056   15.769  2.747   1.00 1.90  1   R  1 
HETATM 2378 C C13 . LIG_R  R  18 .   ? 0.470   15.180  3.493   1.00 1.49  1   R  1 
HETATM 2379 C C14 . LIG_R  R  18 .   ? -0.059  14.549  4.241   1.00 1.47  1   R  1 
HETATM 2380 C C15 . LIG_R  R  18 .   ? -0.528  13.880  4.982   1.00 1.48  1   R  1 
HETATM 2381 C C16 . LIG_R  R  18 .   ? -0.957  13.155  5.702   1.00 1.51  1   R  1 
HETATM 2382 C C17 . LIG_R  R  18 .   ? -1.305  12.457  6.490   1.00 1.33  1   R  1 
HETATM 2383 C C18 . LIG_R  R  18 .   ? -1.556  12.506  7.755   1.00 1.36  1   R  1 
HETATM 2384 O O1  . LIG_R  R  18 .   ? -1.940  13.515  8.232   1.00 1.99  1   R  1 
HETATM 2385 O O2  . LIG_R  R  18 .   ? -1.320  11.466  8.393   1.00 1.77  1   R  1 
HETATM 2386 C C19 . LIG_R  R  18 .   ? -1.620  11.523  9.683   1.00 1.27  1   R  1 
HETATM 2387 C C20 . LIG_R  R  18 .   ? -0.524  11.126  10.561  1.00 1.40  1   R  1 
HETATM 2388 C C21 . LIG_R  R  18 .   ? -1.005  11.049  11.971  1.00 1.34  1   R  1 
HETATM 2389 O O3  . LIG_R  R  18 .   ? -2.213  11.608  12.036  1.00 1.44  1   R  1 
HETATM 2390 P P1  . LIG_R  R  18 .   ? -3.168  11.507  13.259  1.00 1.37  1   R  1 
HETATM 2391 O O4  . LIG_R  R  18 .   ? -3.574  10.155  13.407  1.00 1.32  1   R  1 
HETATM 2392 O O5  . LIG_R  R  18 .   ? -4.158  12.494  13.113  1.00 1.30  1   R  1 
HETATM 2393 O O6  . LIG_R  R  18 .   ? -2.189  11.963  14.349  1.00 1.35  1   R  1 
HETATM 2394 C C22 . LIG_R  R  18 .   ? -1.833  11.306  15.308  1.00 1.48  1   R  1 
HETATM 2395 C C23 . LIG_R  R  18 .   ? -2.780  11.121  16.308  1.00 1.43  1   R  1 
HETATM 2396 N N1  . LIG_R  R  18 .   ? -2.325  10.510  17.455  1.00 2.25  1   R  1 
HETATM 2397 C C24 . LIG_R  R  18 .   ? -3.418  10.431  18.363  1.00 1.53  1   R  1 
HETATM 2398 C C25 . LIG_R  R  18 .   ? -1.274  11.274  18.018  1.00 1.39  1   R  1 
HETATM 2399 C C26 . LIG_R  R  18 .   ? -1.864  9.216   17.131  1.00 1.68  1   R  1 
HETATM 2400 O O7  . LIG_R  R  18 .   ? 0.435   12.125  10.490  1.00 1.52  1   R  1 
HETATM 2401 C C27 . LIG_R  R  18 .   ? 1.608   11.752  10.174  1.00 1.52  1   R  1 
HETATM 2402 O O8  . LIG_R  R  18 .   ? 1.904   10.604  10.138  1.00 1.56  1   R  1 
HETATM 2403 C C28 . LIG_R  R  18 .   ? 2.422   12.719  9.828   1.00 1.38  1   R  1 
HETATM 2404 C C29 . LIG_R  R  18 .   ? 2.652   13.302  8.862   1.00 1.59  1   R  1 
HETATM 2405 C C30 . LIG_R  R  18 .   ? 3.115   14.006  8.110   1.00 1.60  1   R  1 
HETATM 2406 C C31 . LIG_R  R  18 .   ? 3.487   14.647  7.274   1.00 1.50  1   R  1 
HETATM 2407 C C32 . LIG_R  R  18 .   ? 3.962   15.299  6.503   1.00 1.72  1   R  1 
HETATM 2408 C C33 . LIG_R  R  18 .   ? 4.428   15.915  5.692   1.00 1.58  1   R  1 
HETATM 2409 C C34 . LIG_R  R  18 .   ? 5.012   16.493  4.906   1.00 1.54  1   R  1 
HETATM 2410 C C35 . LIG_R  R  18 .   ? 5.655   16.998  4.130   1.00 1.55  1   R  1 
HETATM 2411 C C36 . LIG_R  R  18 .   ? 6.353   17.461  3.359   1.00 1.65  1   R  1 
HETATM 2412 C C37 . LIG_R  R  18 .   ? 7.086   17.897  2.615   1.00 1.63  1   R  1 
HETATM 2413 C C38 . LIG_R  R  18 .   ? 7.837   18.330  1.876   1.00 1.47  1   R  1 
HETATM 2414 C C39 . LIG_R  R  18 .   ? 8.562   18.791  1.116   1.00 1.57  1   R  1 
HETATM 2415 C C40 . LIG_R  R  18 .   ? 9.226   19.273  0.365   1.00 1.63  1   R  1 
HETATM 2416 C C41 . LIG_R  R  18 .   ? 9.836   19.828  -0.400  1.00 1.38  1   R  1 
HETATM 2417 C C42 . LIG_R  R  18 .   ? 10.354  20.458  -1.109  1.00 1.38  1   R  1 
HETATM 2418 C C43 . LIG_R  R  18 .   ? 10.876  21.117  -1.787  1.00 1.28  1   R  1 
HETATM 2419 C C44 . LIG_R  R  18 .   ? 11.480  21.878  -2.470  1.00 1.34  1   R  1 
HETATM 2420 C C1  . LIG_S  S  19 .   ? 8.042   12.889  -14.014 1.00 1.73  1   S  1 
HETATM 2421 C C2  . LIG_S  S  19 .   ? 8.411   12.164  -14.593 1.00 1.78  1   S  1 
HETATM 2422 C C3  . LIG_S  S  19 .   ? 8.156   11.744  -15.568 1.00 1.70  1   S  1 
HETATM 2423 C C4  . LIG_S  S  19 .   ? 7.402   11.714  -16.329 1.00 1.89  1   S  1 
HETATM 2424 C C5  . LIG_S  S  19 .   ? 6.586   11.781  -17.013 1.00 1.75  1   S  1 
HETATM 2425 C C6  . LIG_S  S  19 .   ? 5.797   11.935  -17.753 1.00 1.57  1   S  1 
HETATM 2426 C C7  . LIG_S  S  19 .   ? 5.187   12.114  -18.593 1.00 1.57  1   S  1 
HETATM 2427 C C8  . LIG_S  S  19 .   ? 4.747   12.272  -19.554 1.00 1.51  1   S  1 
HETATM 2428 C C9  . LIG_S  S  19 .   ? 4.512   12.395  -20.565 1.00 1.64  1   S  1 
HETATM 2429 C C10 . LIG_S  S  19 .   ? 4.347   12.498  -21.632 1.00 1.74  1   S  1 
HETATM 2430 C C11 . LIG_S  S  19 .   ? 4.261   12.576  -22.699 1.00 1.62  1   S  1 
HETATM 2431 C C12 . LIG_S  S  19 .   ? 4.188   12.627  -23.775 1.00 1.68  1   S  1 
HETATM 2432 C C13 . LIG_S  S  19 .   ? 4.181   12.646  -24.858 1.00 1.35  1   S  1 
HETATM 2433 C C14 . LIG_S  S  19 .   ? 4.210   12.632  -25.951 1.00 1.35  1   S  1 
HETATM 2434 C C15 . LIG_S  S  19 .   ? 4.328   12.599  -27.038 1.00 1.35  1   S  1 
HETATM 2435 C C16 . LIG_S  S  19 .   ? 4.466   12.521  -28.125 1.00 1.32  1   S  1 
HETATM 2436 C C17 . LIG_S  S  19 .   ? 4.902   12.559  -29.170 1.00 1.20  1   S  1 
HETATM 2437 C C18 . LIG_S  S  19 .   ? 5.903   13.167  -29.705 1.00 1.23  1   S  1 
HETATM 2438 O O1  . LIG_S  S  19 .   ? 6.914   12.600  -29.859 1.00 1.77  1   S  1 
HETATM 2439 O O2  . LIG_S  S  19 .   ? 5.707   14.345  -29.921 1.00 1.57  1   S  1 
HETATM 2440 C C19 . LIG_S  S  19 .   ? 6.721   15.060  -30.353 1.00 1.19  1   S  1 
HETATM 2441 C C20 . LIG_S  S  19 .   ? 6.334   16.444  -30.522 1.00 1.25  1   S  1 
HETATM 2442 C C21 . LIG_S  S  19 .   ? 7.418   17.253  -31.062 1.00 1.24  1   S  1 
HETATM 2443 O O3  . LIG_S  S  19 .   ? 7.365   17.310  -32.375 1.00 1.31  1   S  1 
HETATM 2444 P P1  . LIG_S  S  19 .   ? 7.164   18.649  -33.159 1.00 1.26  1   S  1 
HETATM 2445 O O4  . LIG_S  S  19 .   ? 7.948   18.557  -34.356 1.00 1.23  1   S  1 
HETATM 2446 O O5  . LIG_S  S  19 .   ? 7.370   19.740  -32.337 1.00 1.21  1   S  1 
HETATM 2447 O O6  . LIG_S  S  19 .   ? 5.693   18.531  -33.516 1.00 1.27  1   S  1 
HETATM 2448 C C22 . LIG_S  S  19 .   ? 5.243   17.625  -34.310 1.00 1.38  1   S  1 
HETATM 2449 C C23 . LIG_S  S  19 .   ? 3.905   17.774  -34.665 1.00 1.34  1   S  1 
HETATM 2450 N N1  . LIG_S  S  19 .   ? 3.324   16.749  -35.362 1.00 2.13  1   S  1 
HETATM 2451 C C24 . LIG_S  S  19 .   ? 3.990   16.541  -36.597 1.00 1.47  1   S  1 
HETATM 2452 C C25 . LIG_S  S  19 .   ? 3.383   15.585  -34.579 1.00 1.45  1   S  1 
HETATM 2453 C C26 . LIG_S  S  19 .   ? 1.999   17.099  -35.587 1.00 1.49  1   S  1 
HETATM 2454 O O7  . LIG_S  S  19 .   ? 6.036   16.994  -29.288 1.00 1.37  1   S  1 
HETATM 2455 C C27 . LIG_S  S  19 .   ? 4.886   17.461  -29.173 1.00 1.45  1   S  1 
HETATM 2456 O O8  . LIG_S  S  19 .   ? 4.096   17.498  -30.040 1.00 1.45  1   S  1 
HETATM 2457 C C28 . LIG_S  S  19 .   ? 4.659   17.784  -27.957 1.00 1.31  1   S  1 
HETATM 2458 C C29 . LIG_S  S  19 .   ? 3.942   17.791  -27.184 1.00 1.43  1   S  1 
HETATM 2459 C C30 . LIG_S  S  19 .   ? 3.752   17.788  -26.078 1.00 1.45  1   S  1 
HETATM 2460 C C31 . LIG_S  S  19 .   ? 3.749   17.665  -25.034 1.00 1.37  1   S  1 
HETATM 2461 C C32 . LIG_S  S  19 .   ? 3.823   17.548  -23.941 1.00 1.59  1   S  1 
HETATM 2462 C C33 . LIG_S  S  19 .   ? 3.979   17.386  -22.889 1.00 1.42  1   S  1 
HETATM 2463 C C34 . LIG_S  S  19 .   ? 4.215   17.214  -21.821 1.00 1.45  1   S  1 
HETATM 2464 C C35 . LIG_S  S  19 .   ? 4.514   17.023  -20.783 1.00 1.49  1   S  1 
HETATM 2465 C C36 . LIG_S  S  19 .   ? 4.873   16.795  -19.758 1.00 1.52  1   S  1 
HETATM 2466 C C37 . LIG_S  S  19 .   ? 5.280   16.539  -18.747 1.00 1.54  1   S  1 
HETATM 2467 C C38 . LIG_S  S  19 .   ? 5.719   16.268  -17.750 1.00 1.43  1   S  1 
HETATM 2468 C C39 . LIG_S  S  19 .   ? 6.150   15.974  -16.756 1.00 1.48  1   S  1 
HETATM 2469 C C40 . LIG_S  S  19 .   ? 6.550   15.656  -15.771 1.00 1.63  1   S  1 
HETATM 2470 C C41 . LIG_S  S  19 .   ? 6.930   15.331  -14.778 1.00 1.38  1   S  1 
HETATM 2471 C C42 . LIG_S  S  19 .   ? 7.211   15.049  -13.786 1.00 1.36  1   S  1 
HETATM 2472 C C43 . LIG_S  S  19 .   ? 7.419   14.818  -12.758 1.00 1.28  1   S  1 
HETATM 2473 C C44 . LIG_S  S  19 .   ? 7.491   14.681  -11.595 1.00 1.35  1   S  1 
HETATM 2474 C C1  . LIG_T  T  20 .   ? -2.796  9.404   -20.554 1.00 1.85  1   T  1 
HETATM 2475 C C2  . LIG_T  T  20 .   ? -2.710  9.677   -19.603 1.00 1.85  1   T  1 
HETATM 2476 C C3  . LIG_T  T  20 .   ? -2.968  9.650   -18.529 1.00 1.76  1   T  1 
HETATM 2477 C C4  . LIG_T  T  20 .   ? -3.336  9.495   -17.522 1.00 2.01  1   T  1 
HETATM 2478 C C5  . LIG_T  T  20 .   ? -3.751  9.273   -16.509 1.00 1.82  1   T  1 
HETATM 2479 C C6  . LIG_T  T  20 .   ? -4.181  8.952   -15.527 1.00 1.63  1   T  1 
HETATM 2480 C C7  . LIG_T  T  20 .   ? -4.598  8.589   -14.568 1.00 1.62  1   T  1 
HETATM 2481 C C8  . LIG_T  T  20 .   ? -5.030  8.143   -13.651 1.00 1.58  1   T  1 
HETATM 2482 C C9  . LIG_T  T  20 .   ? -5.455  7.654   -12.776 1.00 1.73  1   T  1 
HETATM 2483 C C10 . LIG_T  T  20 .   ? -5.896  7.096   -11.889 1.00 1.85  1   T  1 
HETATM 2484 C C11 . LIG_T  T  20 .   ? -6.309  6.498   -11.064 1.00 1.81  1   T  1 
HETATM 2485 C C12 . LIG_T  T  20 .   ? -6.763  5.849   -10.267 1.00 1.97  1   T  1 
HETATM 2486 C C13 . LIG_T  T  20 .   ? -7.164  5.135   -9.526  1.00 1.57  1   T  1 
HETATM 2487 C C14 . LIG_T  T  20 .   ? -7.651  4.397   -8.837  1.00 1.63  1   T  1 
HETATM 2488 C C15 . LIG_T  T  20 .   ? -8.013  3.607   -8.181  1.00 1.65  1   T  1 
HETATM 2489 C C16 . LIG_T  T  20 .   ? -8.667  2.854   -7.600  1.00 1.78  1   T  1 
HETATM 2490 C C17 . LIG_T  T  20 .   ? -9.023  2.044   -6.961  1.00 1.40  1   T  1 
HETATM 2491 C C18 . LIG_T  T  20 .   ? -10.070 1.404   -6.537  1.00 1.49  1   T  1 
HETATM 2492 O O1  . LIG_T  T  20 .   ? -10.176 1.108   -5.409  1.00 2.24  1   T  1 
HETATM 2493 O O2  . LIG_T  T  20 .   ? -10.906 1.159   -7.414  1.00 1.86  1   T  1 
HETATM 2494 C C19 . LIG_T  T  20 .   ? -12.069 0.643   -7.029  1.00 1.36  1   T  1 
HETATM 2495 C C20 . LIG_T  T  20 .   ? -13.170 1.597   -7.099  1.00 1.58  1   T  1 
HETATM 2496 C C21 . LIG_T  T  20 .   ? -14.492 0.952   -7.024  1.00 1.53  1   T  1 
HETATM 2497 O O3  . LIG_T  T  20 .   ? -14.429 -0.142  -6.305  1.00 1.74  1   T  1 
HETATM 2498 P P1  . LIG_T  T  20 .   ? -15.738 -0.914  -6.009  1.00 1.61  1   T  1 
HETATM 2499 O O4  . LIG_T  T  20 .   ? -16.460 -0.250  -4.967  1.00 1.47  1   T  1 
HETATM 2500 O O5  . LIG_T  T  20 .   ? -16.387 -1.257  -7.167  1.00 1.56  1   T  1 
HETATM 2501 O O6  . LIG_T  T  20 .   ? -15.073 -2.133  -5.341  1.00 1.62  1   T  1 
HETATM 2502 C C22 . LIG_T  T  20 .   ? -14.932 -3.227  -5.877  1.00 2.11  1   T  1 
HETATM 2503 C C23 . LIG_T  T  20 .   ? -14.420 -4.142  -4.996  1.00 2.29  1   T  1 
HETATM 2504 N N1  . LIG_T  T  20 .   ? -15.269 -5.067  -4.450  1.00 3.61  1   T  1 
HETATM 2505 C C24 . LIG_T  T  20 .   ? -15.949 -5.763  -5.479  1.00 2.54  1   T  1 
HETATM 2506 C C25 . LIG_T  T  20 .   ? -16.216 -4.449  -3.597  1.00 2.44  1   T  1 
HETATM 2507 C C26 . LIG_T  T  20 .   ? -14.484 -5.938  -3.708  1.00 2.99  1   T  1 
HETATM 2508 O O7  . LIG_T  T  20 .   ? -13.145 2.217   -8.341  1.00 1.62  1   T  1 
HETATM 2509 C C27 . LIG_T  T  20 .   ? -12.977 3.462   -8.320  1.00 1.61  1   T  1 
HETATM 2510 O O8  . LIG_T  T  20 .   ? -12.958 4.073   -7.296  1.00 1.56  1   T  1 
HETATM 2511 C C28 . LIG_T  T  20 .   ? -12.740 3.990   -9.475  1.00 1.42  1   T  1 
HETATM 2512 C C29 . LIG_T  T  20 .   ? -11.913 4.247   -10.185 1.00 1.55  1   T  1 
HETATM 2513 C C30 . LIG_T  T  20 .   ? -11.348 4.586   -11.104 1.00 1.59  1   T  1 
HETATM 2514 C C31 . LIG_T  T  20 .   ? -10.693 4.860   -11.969 1.00 1.51  1   T  1 
HETATM 2515 C C32 . LIG_T  T  20 .   ? -10.117 5.120   -12.899 1.00 1.69  1   T  1 
HETATM 2516 C C33 . LIG_T  T  20 .   ? -9.525  5.338   -13.837 1.00 1.55  1   T  1 
HETATM 2517 C C34 . LIG_T  T  20 .   ? -8.961  5.574   -14.790 1.00 1.50  1   T  1 
HETATM 2518 C C35 . LIG_T  T  20 .   ? -8.411  5.818   -15.752 1.00 1.51  1   T  1 
HETATM 2519 C C36 . LIG_T  T  20 .   ? -7.860  6.079   -16.712 1.00 1.56  1   T  1 
HETATM 2520 C C37 . LIG_T  T  20 .   ? -7.285  6.351   -17.657 1.00 1.61  1   T  1 
HETATM 2521 C C38 . LIG_T  T  20 .   ? -6.690  6.653   -18.578 1.00 1.46  1   T  1 
HETATM 2522 C C39 . LIG_T  T  20 .   ? -6.055  7.000   -19.470 1.00 1.55  1   T  1 
HETATM 2523 C C40 . LIG_T  T  20 .   ? -5.371  7.390   -20.296 1.00 1.67  1   T  1 
HETATM 2524 C C41 . LIG_T  T  20 .   ? -4.653  7.819   -21.062 1.00 1.44  1   T  1 
HETATM 2525 C C42 . LIG_T  T  20 .   ? -3.937  8.227   -21.782 1.00 1.41  1   T  1 
HETATM 2526 C C43 . LIG_T  T  20 .   ? -3.238  8.588   -22.532 1.00 1.33  1   T  1 
HETATM 2527 C C44 . LIG_T  T  20 .   ? -2.500  8.943   -23.403 1.00 1.36  1   T  1 
HETATM 2528 C C1  . LIG_U  U  21 .   ? 5.739   7.292   -7.947  1.00 2.01  1   U  1 
HETATM 2529 C C2  . LIG_U  U  21 .   ? 5.252   6.486   -7.798  1.00 1.92  1   U  1 
HETATM 2530 C C3  . LIG_U  U  21 .   ? 4.750   5.660   -7.256  1.00 1.94  1   U  1 
HETATM 2531 C C4  . LIG_U  U  21 .   ? 4.207   4.935   -6.696  1.00 2.18  1   U  1 
HETATM 2532 C C5  . LIG_U  U  21 .   ? 3.638   4.259   -6.023  1.00 2.06  1   U  1 
HETATM 2533 C C6  . LIG_U  U  21 .   ? 3.035   3.645   -5.323  1.00 1.92  1   U  1 
HETATM 2534 C C7  . LIG_U  U  21 .   ? 2.422   3.083   -4.611  1.00 1.98  1   U  1 
HETATM 2535 C C8  . LIG_U  U  21 .   ? 1.796   2.557   -3.874  1.00 2.02  1   U  1 
HETATM 2536 C C9  . LIG_U  U  21 .   ? 1.207   2.083   -3.110  1.00 2.26  1   U  1 
HETATM 2537 C C10 . LIG_U  U  21 .   ? 0.635   1.666   -2.259  1.00 2.80  1   U  1 
HETATM 2538 C C11 . LIG_U  U  21 .   ? 0.201   1.357   -1.323  1.00 2.78  1   U  1 
HETATM 2539 C C12 . LIG_U  U  21 .   ? -0.087  1.118   -0.310  1.00 3.68  1   U  1 
HETATM 2540 C C13 . LIG_U  U  21 .   ? -0.216  0.888   0.733   1.00 2.29  1   U  1 
HETATM 2541 C C14 . LIG_U  U  21 .   ? -0.144  0.653   1.819   1.00 2.48  1   U  1 
HETATM 2542 C C15 . LIG_U  U  21 .   ? -0.075  0.411   2.864   1.00 2.53  1   U  1 
HETATM 2543 C C16 . LIG_U  U  21 .   ? 0.172   0.135   3.965   1.00 2.65  1   U  1 
HETATM 2544 C C17 . LIG_U  U  21 .   ? 0.109   -0.210  4.957   1.00 2.00  1   U  1 
HETATM 2545 C C18 . LIG_U  U  21 .   ? 0.572   -0.483  6.136   1.00 2.15  1   U  1 
HETATM 2546 O O1  . LIG_U  U  21 .   ? -0.170  -0.598  7.033   1.00 3.60  1   U  1 
HETATM 2547 O O2  . LIG_U  U  21 .   ? 1.813   -0.596  6.195   1.00 2.88  1   U  1 
HETATM 2548 C C19 . LIG_U  U  21 .   ? 2.334   -0.842  7.392   1.00 1.93  1   U  1 
HETATM 2549 C C20 . LIG_U  U  21 .   ? 3.748   -0.508  7.438   1.00 2.70  1   U  1 
HETATM 2550 C C21 . LIG_U  U  21 .   ? 4.310   -0.820  8.780   1.00 2.29  1   U  1 
HETATM 2551 O O3  . LIG_U  U  21 .   ? 4.561   -2.116  8.871   1.00 3.08  1   U  1 
HETATM 2552 P P1  . LIG_U  U  21 .   ? 5.114   -2.708  10.191  1.00 2.81  1   U  1 
HETATM 2553 O O4  . LIG_U  U  21 .   ? 6.232   -3.532  9.856   1.00 2.86  1   U  1 
HETATM 2554 O O5  . LIG_U  U  21 .   ? 5.233   -1.761  11.188  1.00 3.40  1   U  1 
HETATM 2555 O O6  . LIG_U  U  21 .   ? 3.942   -3.687  10.508  1.00 3.00  1   U  1 
HETATM 2556 C C22 . LIG_U  U  21 .   ? 3.251   -3.592  11.542  1.00 3.66  1   U  1 
HETATM 2557 C C23 . LIG_U  U  21 .   ? 2.045   -4.259  11.519  1.00 3.82  1   U  1 
HETATM 2558 N N1  . LIG_U  U  21 .   ? 1.739   -5.034  12.611  1.00 5.22  1   U  1 
HETATM 2559 C C24 . LIG_U  U  21 .   ? 2.138   -4.403  13.819  1.00 4.61  1   U  1 
HETATM 2560 C C25 . LIG_U  U  21 .   ? 0.360   -5.246  12.606  1.00 4.43  1   U  1 
HETATM 2561 C C26 . LIG_U  U  21 .   ? 2.416   -6.275  12.481  1.00 4.96  1   U  1 
HETATM 2562 O O7  . LIG_U  U  21 .   ? 3.877   0.850   7.278   1.00 2.40  1   U  1 
HETATM 2563 C C27 . LIG_U  U  21 .   ? 4.389   1.208   6.194   1.00 2.50  1   U  1 
HETATM 2564 O O8  . LIG_U  U  21 .   ? 4.806   0.407   5.407   1.00 2.38  1   U  1 
HETATM 2565 C C28 . LIG_U  U  21 .   ? 4.385   2.475   5.958   1.00 2.17  1   U  1 
HETATM 2566 C C29 . LIG_U  U  21 .   ? 4.471   3.113   5.005   1.00 2.40  1   U  1 
HETATM 2567 C C30 . LIG_U  U  21 .   ? 4.490   3.979   4.318   1.00 2.36  1   U  1 
HETATM 2568 C C31 . LIG_U  U  21 .   ? 4.544   4.716   3.479   1.00 2.12  1   U  1 
HETATM 2569 C C32 . LIG_U  U  21 .   ? 4.615   5.486   2.693   1.00 2.25  1   U  1 
HETATM 2570 C C33 . LIG_U  U  21 .   ? 4.726   6.215   1.849   1.00 1.86  1   U  1 
HETATM 2571 C C34 . LIG_U  U  21 .   ? 4.870   6.908   0.981   1.00 1.76  1   U  1 
HETATM 2572 C C35 . LIG_U  U  21 .   ? 5.054   7.537   0.065   1.00 1.76  1   U  1 
HETATM 2573 C C36 . LIG_U  U  21 .   ? 5.273   8.079   -0.902  1.00 1.81  1   U  1 
HETATM 2574 C C37 . LIG_U  U  21 .   ? 5.516   8.518   -1.918  1.00 1.81  1   U  1 
HETATM 2575 C C38 . LIG_U  U  21 .   ? 5.769   8.847   -2.966  1.00 1.56  1   U  1 
HETATM 2576 C C39 . LIG_U  U  21 .   ? 6.030   9.072   -4.043  1.00 1.60  1   U  1 
HETATM 2577 C C40 . LIG_U  U  21 .   ? 6.249   9.132   -5.136  1.00 1.78  1   U  1 
HETATM 2578 C C41 . LIG_U  U  21 .   ? 6.464   9.113   -6.212  1.00 1.49  1   U  1 
HETATM 2579 C C42 . LIG_U  U  21 .   ? 6.669   9.085   -7.260  1.00 1.44  1   U  1 
HETATM 2580 C C43 . LIG_U  U  21 .   ? 6.886   9.128   -8.302  1.00 1.34  1   U  1 
HETATM 2581 C C44 . LIG_U  U  21 .   ? 7.170   9.252   -9.422  1.00 1.36  1   U  1 
HETATM 2582 C C1  . LIG_V  V  22 .   ? 16.362  21.985  -0.093  1.00 1.81  1   V  1 
HETATM 2583 C C2  . LIG_V  V  22 .   ? 15.367  22.102  -0.109  1.00 1.80  1   V  1 
HETATM 2584 C C3  . LIG_V  V  22 .   ? 14.492  21.712  0.469   1.00 1.71  1   V  1 
HETATM 2585 C C4  . LIG_V  V  22 .   ? 13.950  21.144  1.220   1.00 1.95  1   V  1 
HETATM 2586 C C5  . LIG_V  V  22 .   ? 13.430  20.512  1.976   1.00 1.76  1   V  1 
HETATM 2587 C C6  . LIG_V  V  22 .   ? 13.050  19.808  2.757   1.00 1.59  1   V  1 
HETATM 2588 C C7  . LIG_V  V  22 .   ? 12.725  19.099  3.539   1.00 1.54  1   V  1 
HETATM 2589 C C8  . LIG_V  V  22 .   ? 12.454  18.375  4.324   1.00 1.51  1   V  1 
HETATM 2590 C C9  . LIG_V  V  22 .   ? 12.206  17.652  5.108   1.00 1.65  1   V  1 
HETATM 2591 C C10 . LIG_V  V  22 .   ? 11.937  16.909  5.937   1.00 1.81  1   V  1 
HETATM 2592 C C11 . LIG_V  V  22 .   ? 11.674  16.210  6.750   1.00 1.64  1   V  1 
HETATM 2593 C C12 . LIG_V  V  22 .   ? 11.432  15.492  7.597   1.00 1.77  1   V  1 
HETATM 2594 C C13 . LIG_V  V  22 .   ? 11.191  14.815  8.441   1.00 1.40  1   V  1 
HETATM 2595 C C14 . LIG_V  V  22 .   ? 11.037  14.115  9.337   1.00 1.40  1   V  1 
HETATM 2596 C C15 . LIG_V  V  22 .   ? 10.863  13.458  10.190  1.00 1.40  1   V  1 
HETATM 2597 C C16 . LIG_V  V  22 .   ? 10.837  12.760  11.123  1.00 1.38  1   V  1 
HETATM 2598 C C17 . LIG_V  V  22 .   ? 10.831  12.161  11.971  1.00 1.23  1   V  1 
HETATM 2599 C C18 . LIG_V  V  22 .   ? 11.116  11.454  13.003  1.00 1.25  1   V  1 
HETATM 2600 O O1  . LIG_V  V  22 .   ? 10.277  11.206  13.782  1.00 1.74  1   V  1 
HETATM 2601 O O2  . LIG_V  V  22 .   ? 12.287  11.075  13.057  1.00 1.55  1   V  1 
HETATM 2602 C C19 . LIG_V  V  22 .   ? 12.660  10.434  14.166  1.00 1.19  1   V  1 
HETATM 2603 C C20 . LIG_V  V  22 .   ? 13.985  9.834   14.064  1.00 1.25  1   V  1 
HETATM 2604 C C21 . LIG_V  V  22 .   ? 14.613  9.754   15.403  1.00 1.23  1   V  1 
HETATM 2605 O O3  . LIG_V  V  22 .   ? 14.279  8.667   16.070  1.00 1.31  1   V  1 
HETATM 2606 P P1  . LIG_V  V  22 .   ? 14.929  8.412   17.447  1.00 1.20  1   V  1 
HETATM 2607 O O4  . LIG_V  V  22 .   ? 14.791  7.023   17.747  1.00 1.18  1   V  1 
HETATM 2608 O O5  . LIG_V  V  22 .   ? 14.498  9.367   18.389  1.00 1.18  1   V  1 
HETATM 2609 O O6  . LIG_V  V  22 .   ? 16.383  8.744   17.063  1.00 1.27  1   V  1 
HETATM 2610 C C22 . LIG_V  V  22 .   ? 17.399  8.232   17.542  1.00 1.32  1   V  1 
HETATM 2611 C C23 . LIG_V  V  22 .   ? 18.539  8.921   17.180  1.00 1.30  1   V  1 
HETATM 2612 N N1  . LIG_V  V  22 .   ? 19.442  9.154   18.176  1.00 2.03  1   V  1 
HETATM 2613 C C24 . LIG_V  V  22 .   ? 20.289  10.160  17.719  1.00 1.32  1   V  1 
HETATM 2614 C C25 . LIG_V  V  22 .   ? 20.157  7.969   18.438  1.00 1.31  1   V  1 
HETATM 2615 C C26 . LIG_V  V  22 .   ? 18.776  9.578   19.349  1.00 1.35  1   V  1 
HETATM 2616 O O7  . LIG_V  V  22 .   ? 14.821  10.633  13.333  1.00 1.37  1   V  1 
HETATM 2617 C C27 . LIG_V  V  22 .   ? 15.291  10.141  12.282  1.00 1.39  1   V  1 
HETATM 2618 O O8  . LIG_V  V  22 .   ? 15.001  9.058   11.890  1.00 1.45  1   V  1 
HETATM 2619 C C28 . LIG_V  V  22 .   ? 16.052  10.947  11.652  1.00 1.33  1   V  1 
HETATM 2620 C C29 . LIG_V  V  22 .   ? 16.338  11.375  10.721  1.00 1.44  1   V  1 
HETATM 2621 C C30 . LIG_V  V  22 .   ? 16.766  12.037  9.936   1.00 1.53  1   V  1 
HETATM 2622 C C31 . LIG_V  V  22 .   ? 17.078  12.652  9.089   1.00 1.41  1   V  1 
HETATM 2623 C C32 . LIG_V  V  22 .   ? 17.406  13.337  8.287   1.00 1.64  1   V  1 
HETATM 2624 C C33 . LIG_V  V  22 .   ? 17.688  14.033  7.487   1.00 1.50  1   V  1 
HETATM 2625 C C34 . LIG_V  V  22 .   ? 17.957  14.757  6.693   1.00 1.48  1   V  1 
HETATM 2626 C C35 . LIG_V  V  22 .   ? 18.167  15.501  5.900   1.00 1.49  1   V  1 
HETATM 2627 C C36 . LIG_V  V  22 .   ? 18.331  16.281  5.121   1.00 1.54  1   V  1 
HETATM 2628 C C37 . LIG_V  V  22 .   ? 18.459  17.080  4.351   1.00 1.55  1   V  1 
HETATM 2629 C C38 . LIG_V  V  22 .   ? 18.579  17.893  3.580   1.00 1.40  1   V  1 
HETATM 2630 C C39 . LIG_V  V  22 .   ? 18.680  18.724  2.795   1.00 1.50  1   V  1 
HETATM 2631 C C40 . LIG_V  V  22 .   ? 18.742  19.546  2.030   1.00 1.57  1   V  1 
HETATM 2632 C C41 . LIG_V  V  22 .   ? 18.804  20.385  1.283   1.00 1.39  1   V  1 
HETATM 2633 C C42 . LIG_V  V  22 .   ? 18.861  21.198  0.583   1.00 1.40  1   V  1 
HETATM 2634 C C43 . LIG_V  V  22 .   ? 19.003  21.994  -0.124  1.00 1.30  1   V  1 
HETATM 2635 C C44 . LIG_V  V  22 .   ? 19.257  22.856  -0.899  1.00 1.36  1   V  1 
HETATM 2636 C C1  . LIG_W  W  23 .   ? -5.582  12.709  -20.931 1.00 1.97  1   W  1 
HETATM 2637 C C2  . LIG_W  W  23 .   ? -5.927  11.884  -21.171 1.00 1.98  1   W  1 
HETATM 2638 C C3  . LIG_W  W  23 .   ? -6.719  11.137  -21.052 1.00 1.88  1   W  1 
HETATM 2639 C C4  . LIG_W  W  23 .   ? -7.542  10.490  -20.861 1.00 2.09  1   W  1 
HETATM 2640 C C5  . LIG_W  W  23 .   ? -8.387  9.856   -20.602 1.00 1.81  1   W  1 
HETATM 2641 C C6  . LIG_W  W  23 .   ? -9.236  9.242   -20.285 1.00 1.59  1   W  1 
HETATM 2642 C C7  . LIG_W  W  23 .   ? -10.067 8.659   -19.923 1.00 1.64  1   W  1 
HETATM 2643 C C8  . LIG_W  W  23 .   ? -10.916 8.108   -19.518 1.00 1.57  1   W  1 
HETATM 2644 C C9  . LIG_W  W  23 .   ? -11.764 7.619   -19.075 1.00 1.72  1   W  1 
HETATM 2645 C C10 . LIG_W  W  23 .   ? -12.670 7.183   -18.581 1.00 1.85  1   W  1 
HETATM 2646 C C11 . LIG_W  W  23 .   ? -13.584 6.820   -18.083 1.00 1.69  1   W  1 
HETATM 2647 C C12 . LIG_W  W  23 .   ? -14.506 6.493   -17.553 1.00 1.88  1   W  1 
HETATM 2648 C C13 . LIG_W  W  23 .   ? -15.440 6.211   -17.043 1.00 1.43  1   W  1 
HETATM 2649 C C14 . LIG_W  W  23 .   ? -16.344 5.944   -16.444 1.00 1.44  1   W  1 
HETATM 2650 C C15 . LIG_W  W  23 .   ? -17.285 5.688   -15.925 1.00 1.40  1   W  1 
HETATM 2651 C C16 . LIG_W  W  23 .   ? -18.110 5.473   -15.159 1.00 1.37  1   W  1 
HETATM 2652 C C17 . LIG_W  W  23 .   ? -19.082 5.299   -14.633 1.00 1.23  1   W  1 
HETATM 2653 C C18 . LIG_W  W  23 .   ? -19.606 5.213   -13.470 1.00 1.26  1   W  1 
HETATM 2654 O O1  . LIG_W  W  23 .   ? -20.760 5.295   -13.296 1.00 1.75  1   W  1 
HETATM 2655 O O2  . LIG_W  W  23 .   ? -18.753 5.065   -12.603 1.00 1.55  1   W  1 
HETATM 2656 C C19 . LIG_W  W  23 .   ? -19.122 5.035   -11.331 1.00 1.18  1   W  1 
HETATM 2657 C C20 . LIG_W  W  23 .   ? -17.943 4.791   -10.491 1.00 1.27  1   W  1 
HETATM 2658 C C21 . LIG_W  W  23 .   ? -18.317 4.698   -9.084  1.00 1.26  1   W  1 
HETATM 2659 O O3  . LIG_W  W  23 .   ? -19.069 3.627   -8.934  1.00 1.35  1   W  1 
HETATM 2660 P P1  . LIG_W  W  23 .   ? -19.223 2.960   -7.579  1.00 1.29  1   W  1 
HETATM 2661 O O4  . LIG_W  W  23 .   ? -17.945 2.724   -6.991  1.00 1.27  1   W  1 
HETATM 2662 O O5  . LIG_W  W  23 .   ? -20.095 1.875   -7.738  1.00 1.24  1   W  1 
HETATM 2663 O O6  . LIG_W  W  23 .   ? -19.863 4.149   -6.815  1.00 1.31  1   W  1 
HETATM 2664 C C22 . LIG_W  W  23 .   ? -21.064 4.250   -6.610  1.00 1.39  1   W  1 
HETATM 2665 C C23 . LIG_W  W  23 .   ? -21.416 3.716   -5.382  1.00 1.33  1   W  1 
HETATM 2666 N N1  . LIG_W  W  23 .   ? -22.732 3.739   -5.052  1.00 2.01  1   W  1 
HETATM 2667 C C24 . LIG_W  W  23 .   ? -23.523 3.637   -6.210  1.00 1.33  1   W  1 
HETATM 2668 C C25 . LIG_W  W  23 .   ? -22.971 2.653   -4.189  1.00 1.37  1   W  1 
HETATM 2669 C C26 . LIG_W  W  23 .   ? -23.017 4.930   -4.417  1.00 1.41  1   W  1 
HETATM 2670 O O7  . LIG_W  W  23 .   ? -17.081 5.851   -10.627 1.00 1.37  1   W  1 
HETATM 2671 C C27 . LIG_W  W  23 .   ? -16.052 5.585   -11.272 1.00 1.44  1   W  1 
HETATM 2672 O O8  . LIG_W  W  23 .   ? -15.761 4.468   -11.563 1.00 1.49  1   W  1 
HETATM 2673 C C28 . LIG_W  W  23 .   ? -15.368 6.594   -11.640 1.00 1.31  1   W  1 
HETATM 2674 C C29 . LIG_W  W  23 .   ? -14.757 6.953   -12.484 1.00 1.45  1   W  1 
HETATM 2675 C C30 . LIG_W  W  23 .   ? -14.168 7.608   -13.153 1.00 1.47  1   W  1 
HETATM 2676 C C31 . LIG_W  W  23 .   ? -13.577 8.215   -13.855 1.00 1.43  1   W  1 
HETATM 2677 C C32 . LIG_W  W  23 .   ? -12.979 8.899   -14.481 1.00 1.60  1   W  1 
HETATM 2678 C C33 . LIG_W  W  23 .   ? -12.387 9.594   -15.116 1.00 1.47  1   W  1 
HETATM 2679 C C34 . LIG_W  W  23 .   ? -11.803 10.324  -15.724 1.00 1.46  1   W  1 
HETATM 2680 C C35 . LIG_W  W  23 .   ? -11.201 11.055  -16.308 1.00 1.49  1   W  1 
HETATM 2681 C C36 . LIG_W  W  23 .   ? -10.560 11.781  -16.844 1.00 1.56  1   W  1 
HETATM 2682 C C37 . LIG_W  W  23 .   ? -9.892  12.485  -17.360 1.00 1.58  1   W  1 
HETATM 2683 C C38 . LIG_W  W  23 .   ? -9.159  13.123  -17.861 1.00 1.46  1   W  1 
HETATM 2684 C C39 . LIG_W  W  23 .   ? -8.344  13.656  -18.375 1.00 1.58  1   W  1 
HETATM 2685 C C40 . LIG_W  W  23 .   ? -7.429  13.960  -18.909 1.00 1.68  1   W  1 
HETATM 2686 C C41 . LIG_W  W  23 .   ? -6.454  14.099  -19.402 1.00 1.45  1   W  1 
HETATM 2687 C C42 . LIG_W  W  23 .   ? -5.487  14.174  -19.843 1.00 1.46  1   W  1 
HETATM 2688 C C43 . LIG_W  W  23 .   ? -4.507  14.268  -20.248 1.00 1.33  1   W  1 
HETATM 2689 C C44 . LIG_W  W  23 .   ? -3.427  14.417  -20.653 1.00 1.40  1   W  1 
HETATM 2690 C C1  . LIG_X  X  24 .   ? 2.971   25.586  -6.919  1.00 1.88  1   X  1 
HETATM 2691 C C2  . LIG_X  X  24 .   ? 2.466   25.496  -7.882  1.00 1.80  1   X  1 
HETATM 2692 C C3  . LIG_X  X  24 .   ? 1.507   24.989  -8.081  1.00 1.70  1   X  1 
HETATM 2693 C C4  . LIG_X  X  24 .   ? 0.687   24.486  -7.568  1.00 1.93  1   X  1 
HETATM 2694 C C5  . LIG_X  X  24 .   ? -0.090  24.007  -6.974  1.00 1.77  1   X  1 
HETATM 2695 C C6  . LIG_X  X  24 .   ? -0.758  23.528  -6.219  1.00 1.57  1   X  1 
HETATM 2696 C C7  . LIG_X  X  24 .   ? -1.312  23.064  -5.414  1.00 1.60  1   X  1 
HETATM 2697 C C8  . LIG_X  X  24 .   ? -1.794  22.592  -4.537  1.00 1.53  1   X  1 
HETATM 2698 C C9  . LIG_X  X  24 .   ? -2.179  22.101  -3.643  1.00 1.60  1   X  1 
HETATM 2699 C C10 . LIG_X  X  24 .   ? -2.535  21.582  -2.694  1.00 1.79  1   X  1 
HETATM 2700 C C11 . LIG_X  X  24 .   ? -2.751  21.092  -1.722  1.00 1.70  1   X  1 
HETATM 2701 C C12 . LIG_X  X  24 .   ? -3.005  20.626  -0.717  1.00 1.79  1   X  1 
HETATM 2702 C C13 . LIG_X  X  24 .   ? -3.148  20.185  0.314   1.00 1.41  1   X  1 
HETATM 2703 C C14 . LIG_X  X  24 .   ? -3.405  19.736  1.340   1.00 1.41  1   X  1 
HETATM 2704 C C15 . LIG_X  X  24 .   ? -3.494  19.322  2.391   1.00 1.38  1   X  1 
HETATM 2705 C C16 . LIG_X  X  24 .   ? -3.895  18.899  3.403   1.00 1.36  1   X  1 
HETATM 2706 C C17 . LIG_X  X  24 .   ? -3.951  18.576  4.466   1.00 1.25  1   X  1 
HETATM 2707 C C18 . LIG_X  X  24 .   ? -4.781  18.178  5.397   1.00 1.26  1   X  1 
HETATM 2708 O O1  . LIG_X  X  24 .   ? -5.892  17.942  5.088   1.00 1.73  1   X  1 
HETATM 2709 O O2  . LIG_X  X  24 .   ? -4.342  18.063  6.531   1.00 1.60  1   X  1 
HETATM 2710 C C19 . LIG_X  X  24 .   ? -5.213  17.724  7.487   1.00 1.20  1   X  1 
HETATM 2711 C C20 . LIG_X  X  24 .   ? -4.574  17.402  8.757   1.00 1.24  1   X  1 
HETATM 2712 C C21 . LIG_X  X  24 .   ? -5.443  17.721  9.920   1.00 1.22  1   X  1 
HETATM 2713 O O3  . LIG_X  X  24 .   ? -6.505  16.955  9.946   1.00 1.29  1   X  1 
HETATM 2714 P P1  . LIG_X  X  24 .   ? -7.283  16.672  11.255  1.00 1.20  1   X  1 
HETATM 2715 O O4  . LIG_X  X  24 .   ? -8.655  16.918  11.003  1.00 1.19  1   X  1 
HETATM 2716 O O5  . LIG_X  X  24 .   ? -6.912  15.399  11.742  1.00 1.22  1   X  1 
HETATM 2717 O O6  . LIG_X  X  24 .   ? -6.730  17.738  12.221  1.00 1.23  1   X  1 
HETATM 2718 C C22 . LIG_X  X  24 .   ? -6.968  17.732  13.454  1.00 1.28  1   X  1 
HETATM 2719 C C23 . LIG_X  X  24 .   ? -5.879  17.284  14.216  1.00 1.27  1   X  1 
HETATM 2720 N N1  . LIG_X  X  24 .   ? -5.927  17.601  15.553  1.00 1.80  1   X  1 
HETATM 2721 C C24 . LIG_X  X  24 .   ? -5.639  18.966  15.711  1.00 1.26  1   X  1 
HETATM 2722 C C25 . LIG_X  X  24 .   ? -4.975  16.805  16.208  1.00 1.28  1   X  1 
HETATM 2723 C C26 . LIG_X  X  24 .   ? -7.212  17.330  16.074  1.00 1.30  1   X  1 
HETATM 2724 O O7  . LIG_X  X  24 .   ? -3.437  18.160  8.935   1.00 1.37  1   X  1 
HETATM 2725 C C27 . LIG_X  X  24 .   ? -2.359  17.517  9.036   1.00 1.40  1   X  1 
HETATM 2726 O O8  . LIG_X  X  24 .   ? -2.343  16.337  9.176   1.00 1.47  1   X  1 
HETATM 2727 C C28 . LIG_X  X  24 .   ? -1.281  18.241  8.897   1.00 1.34  1   X  1 
HETATM 2728 C C29 . LIG_X  X  24 .   ? -0.795  18.674  7.924   1.00 1.51  1   X  1 
HETATM 2729 C C30 . LIG_X  X  24 .   ? -0.314  19.087  7.013   1.00 1.57  1   X  1 
HETATM 2730 C C31 . LIG_X  X  24 .   ? 0.096   19.506  6.027   1.00 1.49  1   X  1 
HETATM 2731 C C32 . LIG_X  X  24 .   ? 0.473   19.947  5.081   1.00 1.72  1   X  1 
HETATM 2732 C C33 . LIG_X  X  24 .   ? 0.808   20.430  4.116   1.00 1.57  1   X  1 
HETATM 2733 C C34 . LIG_X  X  24 .   ? 1.126   20.951  3.163   1.00 1.55  1   X  1 
HETATM 2734 C C35 . LIG_X  X  24 .   ? 1.432   21.497  2.223   1.00 1.54  1   X  1 
HETATM 2735 C C36 . LIG_X  X  24 .   ? 1.721   22.061  1.269   1.00 1.59  1   X  1 
HETATM 2736 C C37 . LIG_X  X  24 .   ? 2.017   22.633  0.305   1.00 1.58  1   X  1 
HETATM 2737 C C38 . LIG_X  X  24 .   ? 2.334   23.207  -0.650  1.00 1.44  1   X  1 
HETATM 2738 C C39 . LIG_X  X  24 .   ? 2.663   23.783  -1.637  1.00 1.48  1   X  1 
HETATM 2739 C C40 . LIG_X  X  24 .   ? 3.006   24.337  -2.605  1.00 1.62  1   X  1 
HETATM 2740 C C41 . LIG_X  X  24 .   ? 3.356   24.887  -3.570  1.00 1.41  1   X  1 
HETATM 2741 C C42 . LIG_X  X  24 .   ? 3.731   25.431  -4.456  1.00 1.41  1   X  1 
HETATM 2742 C C43 . LIG_X  X  24 .   ? 4.171   25.981  -5.270  1.00 1.29  1   X  1 
HETATM 2743 C C44 . LIG_X  X  24 .   ? 4.857   26.663  -6.064  1.00 1.34  1   X  1 
HETATM 2744 C C1  . LIG_Y  Y  25 .   ? -9.258  24.246  -13.860 1.00 1.97  1   Y  1 
HETATM 2745 C C2  . LIG_Y  Y  25 .   ? -10.032 23.874  -14.365 1.00 1.90  1   Y  1 
HETATM 2746 C C3  . LIG_Y  Y  25 .   ? -10.952 23.233  -14.405 1.00 1.89  1   Y  1 
HETATM 2747 C C4  . LIG_Y  Y  25 .   ? -11.724 22.534  -14.115 1.00 2.05  1   Y  1 
HETATM 2748 C C5  . LIG_Y  Y  25 .   ? -12.447 21.798  -13.720 1.00 1.75  1   Y  1 
HETATM 2749 C C6  . LIG_Y  Y  25 .   ? -13.086 21.052  -13.214 1.00 1.57  1   Y  1 
HETATM 2750 C C7  . LIG_Y  Y  25 .   ? -13.694 20.308  -12.683 1.00 1.56  1   Y  1 
HETATM 2751 C C8  . LIG_Y  Y  25 .   ? -14.300 19.563  -12.146 1.00 1.54  1   Y  1 
HETATM 2752 C C9  . LIG_Y  Y  25 .   ? -14.932 18.815  -11.653 1.00 1.67  1   Y  1 
HETATM 2753 C C10 . LIG_Y  Y  25 .   ? -15.611 18.064  -11.153 1.00 1.75  1   Y  1 
HETATM 2754 C C11 . LIG_Y  Y  25 .   ? -16.331 17.355  -10.694 1.00 1.67  1   Y  1 
HETATM 2755 C C12 . LIG_Y  Y  25 .   ? -17.071 16.676  -10.203 1.00 1.73  1   Y  1 
HETATM 2756 C C13 . LIG_Y  Y  25 .   ? -17.849 16.035  -9.764  1.00 1.38  1   Y  1 
HETATM 2757 C C14 . LIG_Y  Y  25 .   ? -18.613 15.444  -9.231  1.00 1.39  1   Y  1 
HETATM 2758 C C15 . LIG_Y  Y  25 .   ? -19.417 14.836  -8.790  1.00 1.35  1   Y  1 
HETATM 2759 C C16 . LIG_Y  Y  25 .   ? -20.097 14.272  -8.083  1.00 1.33  1   Y  1 
HETATM 2760 C C17 . LIG_Y  Y  25 .   ? -20.819 13.635  -7.580  1.00 1.21  1   Y  1 
HETATM 2761 C C18 . LIG_Y  Y  25 .   ? -21.241 13.304  -6.434  1.00 1.22  1   Y  1 
HETATM 2762 O O1  . LIG_Y  Y  25 .   ? -22.083 12.497  -6.336  1.00 1.66  1   Y  1 
HETATM 2763 O O2  . LIG_Y  Y  25 .   ? -20.661 13.858  -5.495  1.00 1.48  1   Y  1 
HETATM 2764 C C19 . LIG_Y  Y  25 .   ? -21.101 13.574  -4.291  1.00 1.18  1   Y  1 
HETATM 2765 C C20 . LIG_Y  Y  25 .   ? -20.334 14.197  -3.237  1.00 1.22  1   Y  1 
HETATM 2766 C C21 . LIG_Y  Y  25 .   ? -21.117 14.244  -1.978  1.00 1.22  1   Y  1 
HETATM 2767 O O3  . LIG_Y  Y  25 .   ? -21.905 13.192  -1.900  1.00 1.26  1   Y  1 
HETATM 2768 P P1  . LIG_Y  Y  25 .   ? -23.100 13.188  -0.900  1.00 1.19  1   Y  1 
HETATM 2769 O O4  . LIG_Y  Y  25 .   ? -23.526 11.829  -0.760  1.00 1.17  1   Y  1 
HETATM 2770 O O5  . LIG_Y  Y  25 .   ? -22.778 13.935  0.239   1.00 1.16  1   Y  1 
HETATM 2771 O O6  . LIG_Y  Y  25 .   ? -24.133 13.966  -1.755  1.00 1.21  1   Y  1 
HETATM 2772 C C22 . LIG_Y  Y  25 .   ? -25.206 14.460  -1.298  1.00 1.28  1   Y  1 
HETATM 2773 C C23 . LIG_Y  Y  25 .   ? -26.024 15.079  -2.229  1.00 1.25  1   Y  1 
HETATM 2774 N N1  . LIG_Y  Y  25 .   ? -25.760 16.375  -2.602  1.00 1.87  1   Y  1 
HETATM 2775 C C24 . LIG_Y  Y  25 .   ? -25.018 16.341  -3.798  1.00 1.31  1   Y  1 
HETATM 2776 C C25 . LIG_Y  Y  25 .   ? -25.012 17.044  -1.593  1.00 1.32  1   Y  1 
HETATM 2777 C C26 . LIG_Y  Y  25 .   ? -26.948 17.037  -2.807  1.00 1.33  1   Y  1 
HETATM 2778 O O7  . LIG_Y  Y  25 .   ? -20.054 15.481  -3.591  1.00 1.32  1   Y  1 
HETATM 2779 C C27 . LIG_Y  Y  25 .   ? -18.889 15.861  -3.326  1.00 1.33  1   Y  1 
HETATM 2780 O O8  . LIG_Y  Y  25 .   ? -18.232 15.415  -2.438  1.00 1.37  1   Y  1 
HETATM 2781 C C28 . LIG_Y  Y  25 .   ? -18.472 16.753  -4.111  1.00 1.29  1   Y  1 
HETATM 2782 C C29 . LIG_Y  Y  25 .   ? -17.575 17.251  -4.479  1.00 1.39  1   Y  1 
HETATM 2783 C C30 . LIG_Y  Y  25 .   ? -16.861 17.871  -5.050  1.00 1.46  1   Y  1 
HETATM 2784 C C31 . LIG_Y  Y  25 .   ? -16.058 18.447  -5.547  1.00 1.40  1   Y  1 
HETATM 2785 C C32 . LIG_Y  Y  25 .   ? -15.307 19.057  -6.073  1.00 1.57  1   Y  1 
HETATM 2786 C C33 . LIG_Y  Y  25 .   ? -14.526 19.667  -6.564  1.00 1.47  1   Y  1 
HETATM 2787 C C34 . LIG_Y  Y  25 .   ? -13.737 20.279  -7.060  1.00 1.42  1   Y  1 
HETATM 2788 C C35 . LIG_Y  Y  25 .   ? -12.937 20.876  -7.556  1.00 1.48  1   Y  1 
HETATM 2789 C C36 . LIG_Y  Y  25 .   ? -12.133 21.467  -8.065  1.00 1.50  1   Y  1 
HETATM 2790 C C37 . LIG_Y  Y  25 .   ? -11.339 22.063  -8.589  1.00 1.51  1   Y  1 
HETATM 2791 C C38 . LIG_Y  Y  25 .   ? -10.576 22.646  -9.157  1.00 1.40  1   Y  1 
HETATM 2792 C C39 . LIG_Y  Y  25 .   ? -9.843  23.237  -9.779  1.00 1.47  1   Y  1 
HETATM 2793 C C40 . LIG_Y  Y  25 .   ? -9.189  23.805  -10.477 1.00 1.61  1   Y  1 
HETATM 2794 C C41 . LIG_Y  Y  25 .   ? -8.595  24.344  -11.257 1.00 1.43  1   Y  1 
HETATM 2795 C C42 . LIG_Y  Y  25 .   ? -8.061  24.845  -12.019 1.00 1.41  1   Y  1 
HETATM 2796 C C43 . LIG_Y  Y  25 .   ? -7.448  25.378  -12.708 1.00 1.31  1   Y  1 
HETATM 2797 C C44 . LIG_Y  Y  25 .   ? -6.730  25.968  -13.426 1.00 1.35  1   Y  1 
HETATM 2798 C C1  . LIG_Z  Z  26 .   ? 6.106   28.394  -0.274  1.00 1.92  1   Z  1 
HETATM 2799 C C2  . LIG_Z  Z  26 .   ? 5.171   28.413  -0.799  1.00 1.86  1   Z  1 
HETATM 2800 C C3  . LIG_Z  Z  26 .   ? 4.127   28.116  -0.475  1.00 1.77  1   Z  1 
HETATM 2801 C C4  . LIG_Z  Z  26 .   ? 3.447   27.807  0.342   1.00 2.01  1   Z  1 
HETATM 2802 C C5  . LIG_Z  Z  26 .   ? 2.763   27.470  1.160   1.00 1.74  1   Z  1 
HETATM 2803 C C6  . LIG_Z  Z  26 .   ? 2.195   27.107  2.060   1.00 1.58  1   Z  1 
HETATM 2804 C C7  . LIG_Z  Z  26 .   ? 1.676   26.732  2.969   1.00 1.58  1   Z  1 
HETATM 2805 C C8  . LIG_Z  Z  26 .   ? 1.208   26.338  3.901   1.00 1.53  1   Z  1 
HETATM 2806 C C9  . LIG_Z  Z  26 .   ? 0.752   25.923  4.812   1.00 1.59  1   Z  1 
HETATM 2807 C C10 . LIG_Z  Z  26 .   ? 0.265   25.481  5.756   1.00 1.74  1   Z  1 
HETATM 2808 C C11 . LIG_Z  Z  26 .   ? -0.229  25.046  6.648   1.00 1.62  1   Z  1 
HETATM 2809 C C12 . LIG_Z  Z  26 .   ? -0.709  24.562  7.560   1.00 1.72  1   Z  1 
HETATM 2810 C C13 . LIG_Z  Z  26 .   ? -1.216  24.089  8.425   1.00 1.38  1   Z  1 
HETATM 2811 C C14 . LIG_Z  Z  26 .   ? -1.650  23.562  9.333   1.00 1.39  1   Z  1 
HETATM 2812 C C15 . LIG_Z  Z  26 .   ? -2.131  23.069  10.185  1.00 1.38  1   Z  1 
HETATM 2813 C C16 . LIG_Z  Z  26 .   ? -2.458  22.471  11.125  1.00 1.35  1   Z  1 
HETATM 2814 C C17 . LIG_Z  Z  26 .   ? -3.031  22.025  11.921  1.00 1.22  1   Z  1 
HETATM 2815 C C18 . LIG_Z  Z  26 .   ? -3.064  21.337  13.005  1.00 1.23  1   Z  1 
HETATM 2816 O O1  . LIG_Z  Z  26 .   ? -4.060  21.262  13.608  1.00 1.66  1   Z  1 
HETATM 2817 O O2  . LIG_Z  Z  26 .   ? -1.988  20.791  13.320  1.00 1.53  1   Z  1 
HETATM 2818 C C19 . LIG_Z  Z  26 .   ? -1.933  20.240  14.527  1.00 1.19  1   Z  1 
HETATM 2819 C C20 . LIG_Z  Z  26 .   ? -1.406  18.904  14.510  1.00 1.23  1   Z  1 
HETATM 2820 C C21 . LIG_Z  Z  26 .   ? -1.301  18.289  15.851  1.00 1.24  1   Z  1 
HETATM 2821 O O3  . LIG_Z  Z  26 .   ? -1.583  19.127  16.805  1.00 1.27  1   Z  1 
HETATM 2822 P P1  . LIG_Z  Z  26 .   ? -1.846  18.629  18.246  1.00 1.17  1   Z  1 
HETATM 2823 O O4  . LIG_Z  Z  26 .   ? -0.608  18.374  18.879  1.00 1.17  1   Z  1 
HETATM 2824 O O5  . LIG_Z  Z  26 .   ? -2.845  17.642  18.273  1.00 1.16  1   Z  1 
HETATM 2825 O O6  . LIG_Z  Z  26 .   ? -2.450  19.931  18.682  1.00 1.22  1   Z  1 
HETATM 2826 C C22 . LIG_Z  Z  26 .   ? -2.716  20.261  19.810  1.00 1.30  1   Z  1 
HETATM 2827 C C23 . LIG_Z  Z  26 .   ? -3.633  21.279  19.829  1.00 1.26  1   Z  1 
HETATM 2828 N N1  . LIG_Z  Z  26 .   ? -3.974  21.729  21.061  1.00 1.85  1   Z  1 
HETATM 2829 C C24 . LIG_Z  Z  26 .   ? -2.901  22.477  21.574  1.00 1.27  1   Z  1 
HETATM 2830 C C25 . LIG_Z  Z  26 .   ? -4.258  20.636  21.912  1.00 1.27  1   Z  1 
HETATM 2831 C C26 . LIG_Z  Z  26 .   ? -5.109  22.524  20.894  1.00 1.31  1   Z  1 
HETATM 2832 O O7  . LIG_Z  Z  26 .   ? -0.124  18.900  14.015  1.00 1.33  1   Z  1 
HETATM 2833 C C27 . LIG_Z  Z  26 .   ? 0.049   18.157  13.025  1.00 1.36  1   Z  1 
HETATM 2834 O O8  . LIG_Z  Z  26 .   ? -0.841  17.491  12.583  1.00 1.38  1   Z  1 
HETATM 2835 C C28 . LIG_Z  Z  26 .   ? 1.224   18.235  12.467  1.00 1.32  1   Z  1 
HETATM 2836 C C29 . LIG_Z  Z  26 .   ? 1.608   18.854  11.592  1.00 1.42  1   Z  1 
HETATM 2837 C C30 . LIG_Z  Z  26 .   ? 2.152   19.402  10.817  1.00 1.48  1   Z  1 
HETATM 2838 C C31 . LIG_Z  Z  26 .   ? 2.591   20.030  9.999   1.00 1.44  1   Z  1 
HETATM 2839 C C32 . LIG_Z  Z  26 .   ? 3.056   20.643  9.209   1.00 1.63  1   Z  1 
HETATM 2840 C C33 . LIG_Z  Z  26 .   ? 3.475   21.303  8.408   1.00 1.51  1   Z  1 
HETATM 2841 C C34 . LIG_Z  Z  26 .   ? 3.888   21.991  7.619   1.00 1.46  1   Z  1 
HETATM 2842 C C35 . LIG_Z  Z  26 .   ? 4.311   22.690  6.845   1.00 1.48  1   Z  1 
HETATM 2843 C C36 . LIG_Z  Z  26 .   ? 4.750   23.396  6.080   1.00 1.50  1   Z  1 
HETATM 2844 C C37 . LIG_Z  Z  26 .   ? 5.196   24.108  5.318   1.00 1.50  1   Z  1 
HETATM 2845 C C38 . LIG_Z  Z  26 .   ? 5.661   24.822  4.562   1.00 1.38  1   Z  1 
HETATM 2846 C C39 . LIG_Z  Z  26 .   ? 6.142   25.543  3.808   1.00 1.47  1   Z  1 
HETATM 2847 C C40 . LIG_Z  Z  26 .   ? 6.627   26.239  3.060   1.00 1.60  1   Z  1 
HETATM 2848 C C41 . LIG_Z  Z  26 .   ? 7.124   26.930  2.304   1.00 1.42  1   Z  1 
HETATM 2849 C C42 . LIG_Z  Z  26 .   ? 7.624   27.577  1.617   1.00 1.41  1   Z  1 
HETATM 2850 C C43 . LIG_Z  Z  26 .   ? 8.230   28.192  0.968   1.00 1.32  1   Z  1 
HETATM 2851 C C44 . LIG_Z  Z  26 .   ? 9.001   28.822  0.318   1.00 1.34  1   Z  1 
HETATM 2852 C C1  . LIG_AA AA 27 .   ? -2.544  30.207  -12.610 1.00 1.83  1   AA 1 
HETATM 2853 C C2  . LIG_AA AA 27 .   ? -3.180  30.089  -13.365 1.00 1.97  1   AA 1 
HETATM 2854 C C3  . LIG_AA AA 27 .   ? -3.781  29.696  -14.220 1.00 1.90  1   AA 1 
HETATM 2855 C C4  . LIG_AA AA 27 .   ? -4.262  29.081  -14.974 1.00 2.09  1   AA 1 
HETATM 2856 C C5  . LIG_AA AA 27 .   ? -4.698  28.391  -15.729 1.00 1.81  1   AA 1 
HETATM 2857 C C6  . LIG_AA AA 27 .   ? -5.076  27.608  -16.410 1.00 1.60  1   AA 1 
HETATM 2858 C C7  . LIG_AA AA 27 .   ? -5.402  26.768  -17.018 1.00 1.64  1   AA 1 
HETATM 2859 C C8  . LIG_AA AA 27 .   ? -5.626  25.900  -17.621 1.00 1.55  1   AA 1 
HETATM 2860 C C9  . LIG_AA AA 27 .   ? -5.766  25.027  -18.212 1.00 1.62  1   AA 1 
HETATM 2861 C C10 . LIG_AA AA 27 .   ? -5.813  24.153  -18.872 1.00 1.75  1   AA 1 
HETATM 2862 C C11 . LIG_AA AA 27 .   ? -5.776  23.367  -19.597 1.00 1.67  1   AA 1 
HETATM 2863 C C12 . LIG_AA AA 27 .   ? -5.675  22.666  -20.413 1.00 1.70  1   AA 1 
HETATM 2864 C C13 . LIG_AA AA 27 .   ? -5.564  22.075  -21.294 1.00 1.38  1   AA 1 
HETATM 2865 C C14 . LIG_AA AA 27 .   ? -5.385  21.720  -22.301 1.00 1.37  1   AA 1 
HETATM 2866 C C15 . LIG_AA AA 27 .   ? -5.258  21.469  -23.344 1.00 1.34  1   AA 1 
HETATM 2867 C C16 . LIG_AA AA 27 .   ? -5.003  21.483  -24.440 1.00 1.32  1   AA 1 
HETATM 2868 C C17 . LIG_AA AA 27 .   ? -4.901  21.433  -25.511 1.00 1.21  1   AA 1 
HETATM 2869 C C18 . LIG_AA AA 27 .   ? -4.351  21.977  -26.534 1.00 1.24  1   AA 1 
HETATM 2870 O O1  . LIG_AA AA 27 .   ? -4.099  21.326  -27.467 1.00 1.66  1   AA 1 
HETATM 2871 O O2  . LIG_AA AA 27 .   ? -4.102  23.177  -26.397 1.00 1.57  1   AA 1 
HETATM 2872 C C19 . LIG_AA AA 27 .   ? -3.369  23.742  -27.324 1.00 1.20  1   AA 1 
HETATM 2873 C C20 . LIG_AA AA 27 .   ? -2.821  25.030  -26.887 1.00 1.26  1   AA 1 
HETATM 2874 C C21 . LIG_AA AA 27 .   ? -2.042  25.611  -27.984 1.00 1.27  1   AA 1 
HETATM 2875 O O3  . LIG_AA AA 27 .   ? -2.876  25.956  -28.937 1.00 1.30  1   AA 1 
HETATM 2876 P P1  . LIG_AA AA 27 .   ? -2.401  26.722  -30.184 1.00 1.25  1   AA 1 
HETATM 2877 O O4  . LIG_AA AA 27 .   ? -3.595  27.065  -30.909 1.00 1.22  1   AA 1 
HETATM 2878 O O5  . LIG_AA AA 27 .   ? -1.370  26.050  -30.814 1.00 1.19  1   AA 1 
HETATM 2879 O O6  . LIG_AA AA 27 .   ? -1.857  27.991  -29.531 1.00 1.27  1   AA 1 
HETATM 2880 C C22 . LIG_AA AA 27 .   ? -1.112  28.769  -30.180 1.00 1.37  1   AA 1 
HETATM 2881 C C23 . LIG_AA AA 27 .   ? -1.527  30.112  -30.132 1.00 1.38  1   AA 1 
HETATM 2882 N N1  . LIG_AA AA 27 .   ? -1.496  30.714  -28.889 1.00 2.11  1   AA 1 
HETATM 2883 C C24 . LIG_AA AA 27 .   ? -1.575  32.075  -29.050 1.00 1.49  1   AA 1 
HETATM 2884 C C25 . LIG_AA AA 27 .   ? -2.605  30.258  -28.124 1.00 1.51  1   AA 1 
HETATM 2885 C C26 . LIG_AA AA 27 .   ? -0.295  30.352  -28.211 1.00 1.54  1   AA 1 
HETATM 2886 O O7  . LIG_AA AA 27 .   ? -1.977  24.793  -25.821 1.00 1.36  1   AA 1 
HETATM 2887 C C27 . LIG_AA AA 27 .   ? -2.258  25.416  -24.795 1.00 1.40  1   AA 1 
HETATM 2888 O O8  . LIG_AA AA 27 .   ? -3.046  26.303  -24.778 1.00 1.45  1   AA 1 
HETATM 2889 C C28 . LIG_AA AA 27 .   ? -1.680  25.000  -23.721 1.00 1.30  1   AA 1 
HETATM 2890 C C29 . LIG_AA AA 27 .   ? -1.812  25.062  -22.630 1.00 1.40  1   AA 1 
HETATM 2891 C C30 . LIG_AA AA 27 .   ? -1.686  24.958  -21.548 1.00 1.41  1   AA 1 
HETATM 2892 C C31 . LIG_AA AA 27 .   ? -1.654  24.952  -20.451 1.00 1.38  1   AA 1 
HETATM 2893 C C32 . LIG_AA AA 27 .   ? -1.514  24.942  -19.368 1.00 1.58  1   AA 1 
HETATM 2894 C C33 . LIG_AA AA 27 .   ? -1.370  25.012  -18.281 1.00 1.45  1   AA 1 
HETATM 2895 C C34 . LIG_AA AA 27 .   ? -1.177  25.121  -17.200 1.00 1.46  1   AA 1 
HETATM 2896 C C35 . LIG_AA AA 27 .   ? -0.966  25.317  -16.149 1.00 1.53  1   AA 1 
HETATM 2897 C C36 . LIG_AA AA 27 .   ? -0.744  25.570  -15.111 1.00 1.58  1   AA 1 
HETATM 2898 C C37 . LIG_AA AA 27 .   ? -0.543  25.949  -14.097 1.00 1.57  1   AA 1 
HETATM 2899 C C38 . LIG_AA AA 27 .   ? -0.356  26.399  -13.140 1.00 1.43  1   AA 1 
HETATM 2900 C C39 . LIG_AA AA 27 .   ? -0.267  27.097  -12.287 1.00 1.49  1   AA 1 
HETATM 2901 C C40 . LIG_AA AA 27 .   ? -0.395  28.014  -11.763 1.00 1.61  1   AA 1 
HETATM 2902 C C41 . LIG_AA AA 27 .   ? -0.612  28.963  -11.302 1.00 1.48  1   AA 1 
HETATM 2903 C C42 . LIG_AA AA 27 .   ? -0.877  29.873  -10.896 1.00 1.44  1   AA 1 
HETATM 2904 C C43 . LIG_AA AA 27 .   ? -1.073  30.752  -10.337 1.00 1.34  1   AA 1 
HETATM 2905 C C44 . LIG_AA AA 27 .   ? -1.256  31.668  -9.678  1.00 1.38  1   AA 1 
HETATM 2906 C C1  . LIG_BA BA 28 .   ? 16.848  11.031  -10.497 1.00 1.56  1   BA 1 
HETATM 2907 C C2  . LIG_BA BA 28 .   ? 16.672  10.434  -11.358 1.00 1.62  1   BA 1 
HETATM 2908 C C3  . LIG_BA BA 28 .   ? 16.868  10.548  -12.440 1.00 1.71  1   BA 1 
HETATM 2909 C C4  . LIG_BA BA 28 .   ? 17.260  11.162  -13.247 1.00 1.80  1   BA 1 
HETATM 2910 C C5  . LIG_BA BA 28 .   ? 17.624  11.809  -14.066 1.00 1.68  1   BA 1 
HETATM 2911 C C6  . LIG_BA BA 28 .   ? 17.965  12.601  -14.756 1.00 1.51  1   BA 1 
HETATM 2912 C C7  . LIG_BA BA 28 .   ? 18.260  13.471  -15.314 1.00 1.61  1   BA 1 
HETATM 2913 C C8  . LIG_BA BA 28 .   ? 18.491  14.459  -15.697 1.00 1.48  1   BA 1 
HETATM 2914 C C9  . LIG_BA BA 28 .   ? 18.680  15.473  -15.969 1.00 1.65  1   BA 1 
HETATM 2915 C C10 . LIG_BA BA 28 .   ? 18.839  16.548  -16.185 1.00 1.78  1   BA 1 
HETATM 2916 C C11 . LIG_BA BA 28 .   ? 18.925  17.627  -16.355 1.00 1.62  1   BA 1 
HETATM 2917 C C12 . LIG_BA BA 28 .   ? 18.988  18.722  -16.531 1.00 1.80  1   BA 1 
HETATM 2918 C C13 . LIG_BA BA 28 .   ? 19.033  19.794  -16.704 1.00 1.42  1   BA 1 
HETATM 2919 C C14 . LIG_BA BA 28 .   ? 19.072  20.884  -16.911 1.00 1.38  1   BA 1 
HETATM 2920 C C15 . LIG_BA BA 28 .   ? 19.110  21.932  -17.126 1.00 1.44  1   BA 1 
HETATM 2921 C C16 . LIG_BA BA 28 .   ? 19.100  23.032  -17.384 1.00 1.36  1   BA 1 
HETATM 2922 C C17 . LIG_BA BA 28 .   ? 19.156  24.028  -17.547 1.00 1.22  1   BA 1 
HETATM 2923 C C18 . LIG_BA BA 28 .   ? 19.069  25.234  -17.919 1.00 1.23  1   BA 1 
HETATM 2924 O O1  . LIG_BA BA 28 .   ? 18.414  25.545  -18.833 1.00 1.82  1   BA 1 
HETATM 2925 O O2  . LIG_BA BA 28 .   ? 19.664  25.989  -17.220 1.00 1.56  1   BA 1 
HETATM 2926 C C19 . LIG_BA BA 28 .   ? 19.586  27.275  -17.535 1.00 1.23  1   BA 1 
HETATM 2927 C C20 . LIG_BA BA 28 .   ? 20.306  28.095  -16.573 1.00 1.25  1   BA 1 
HETATM 2928 C C21 . LIG_BA BA 28 .   ? 21.511  28.721  -17.170 1.00 1.31  1   BA 1 
HETATM 2929 O O3  . LIG_BA BA 28 .   ? 22.121  27.785  -17.897 1.00 1.27  1   BA 1 
HETATM 2930 P P1  . LIG_BA BA 28 .   ? 23.554  27.909  -18.498 1.00 1.28  1   BA 1 
HETATM 2931 O O4  . LIG_BA BA 28 .   ? 24.218  29.039  -17.956 1.00 1.23  1   BA 1 
HETATM 2932 O O5  . LIG_BA BA 28 .   ? 23.441  27.768  -19.897 1.00 1.19  1   BA 1 
HETATM 2933 O O6  . LIG_BA BA 28 .   ? 24.138  26.596  -17.939 1.00 1.22  1   BA 1 
HETATM 2934 C C22 . LIG_BA BA 28 .   ? 25.036  26.522  -17.085 1.00 1.36  1   BA 1 
HETATM 2935 C C23 . LIG_BA BA 28 .   ? 25.305  25.270  -16.746 1.00 1.28  1   BA 1 
HETATM 2936 N N1  . LIG_BA BA 28 .   ? 24.604  24.603  -16.067 1.00 2.10  1   BA 1 
HETATM 2937 O O7  . LIG_BA BA 28 .   ? 20.730  27.321  -15.533 1.00 1.35  1   BA 1 
HETATM 2938 C C24 . LIG_BA BA 28 .   ? 20.256  27.634  -14.414 1.00 1.33  1   BA 1 
HETATM 2939 O O8  . LIG_BA BA 28 .   ? 19.736  28.658  -14.191 1.00 1.33  1   BA 1 
HETATM 2940 C C25 . LIG_BA BA 28 .   ? 20.316  26.695  -13.544 1.00 1.29  1   BA 1 
HETATM 2941 C C26 . LIG_BA BA 28 .   ? 20.045  25.615  -13.487 1.00 1.51  1   BA 1 
HETATM 2942 C C27 . LIG_BA BA 28 .   ? 19.895  24.641  -13.111 1.00 1.60  1   BA 1 
HETATM 2943 C C28 . LIG_BA BA 28 .   ? 19.711  23.599  -12.977 1.00 1.43  1   BA 1 
HETATM 2944 C C29 . LIG_BA BA 28 .   ? 19.611  22.571  -12.790 1.00 1.49  1   BA 1 
HETATM 2945 C C30 . LIG_BA BA 28 .   ? 19.536  21.513  -12.671 1.00 1.57  1   BA 1 
HETATM 2946 C C31 . LIG_BA BA 28 .   ? 19.498  20.463  -12.518 1.00 1.49  1   BA 1 
HETATM 2947 C C32 . LIG_BA BA 28 .   ? 19.470  19.431  -12.372 1.00 1.63  1   BA 1 
HETATM 2948 C C33 . LIG_BA BA 28 .   ? 19.430  18.406  -12.200 1.00 1.50  1   BA 1 
HETATM 2949 C C34 . LIG_BA BA 28 .   ? 19.348  17.382  -11.985 1.00 1.45  1   BA 1 
HETATM 2950 C C35 . LIG_BA BA 28 .   ? 19.221  16.391  -11.719 1.00 1.53  1   BA 1 
HETATM 2951 C C36 . LIG_BA BA 28 .   ? 19.019  15.467  -11.306 1.00 1.58  1   BA 1 
HETATM 2952 C C37 . LIG_BA BA 28 .   ? 18.714  14.680  -10.681 1.00 1.62  1   BA 1 
HETATM 2953 C C38 . LIG_BA BA 28 .   ? 18.398  14.027  -9.951  1.00 1.39  1   BA 1 
HETATM 2954 C C39 . LIG_BA BA 28 .   ? 18.112  13.401  -9.193  1.00 1.44  1   BA 1 
HETATM 2955 C C40 . LIG_BA BA 28 .   ? 17.878  12.780  -8.553  1.00 1.43  1   BA 1 
HETATM 2956 C C41 . LIG_BA BA 28 .   ? 17.734  12.236  -7.925  1.00 1.28  1   BA 1 
HETATM 2957 C C1  . LIG_DA DA 29 .   ? 33.434  6.754   -7.924  1.00 1.42  1   DA 1 
HETATM 2958 C C2  . LIG_DA DA 29 .   ? 32.486  5.849   -7.695  1.00 1.36  1   DA 1 
HETATM 2959 C C3  . LIG_DA DA 29 .   ? 31.359  5.919   -8.136  1.00 1.38  1   DA 1 
HETATM 2960 C C4  . LIG_DA DA 29 .   ? 30.736  6.239   -9.085  1.00 1.29  1   DA 1 
HETATM 2961 C C5  . LIG_DA DA 29 .   ? 29.639  6.208   -9.554  1.00 1.30  1   DA 1 
HETATM 2962 C C6  . LIG_DA DA 29 .   ? 29.088  6.532   -10.523 1.00 1.24  1   DA 1 
HETATM 2963 C C7  . LIG_DA DA 29 .   ? 28.789  7.246   -11.275 1.00 1.24  1   DA 1 
HETATM 2964 C C8  . LIG_DA DA 29 .   ? 28.580  7.847   -12.185 1.00 1.27  1   DA 1 
HETATM 2965 C C9  . LIG_DA DA 29 .   ? 28.493  8.626   -12.964 1.00 1.31  1   DA 1 
HETATM 2966 C C10 . LIG_DA DA 29 .   ? 28.487  9.318   -13.815 1.00 1.37  1   DA 1 
HETATM 2967 C C11 . LIG_DA DA 29 .   ? 28.604  10.126  -14.597 1.00 1.35  1   DA 1 
HETATM 2968 C C12 . LIG_DA DA 29 .   ? 28.821  10.440  -15.666 1.00 1.46  1   DA 1 
HETATM 2969 C C13 . LIG_DA DA 29 .   ? 29.102  11.262  -16.470 1.00 1.32  1   DA 1 
HETATM 2970 C C14 . LIG_DA DA 29 .   ? 29.092  11.283  -17.631 1.00 1.35  1   DA 1 
HETATM 2971 C C15 . LIG_DA DA 29 .   ? 29.299  11.877  -18.644 1.00 1.36  1   DA 1 
HETATM 2972 C C16 . LIG_DA DA 29 .   ? 28.777  11.678  -19.783 1.00 1.38  1   DA 1 
HETATM 2973 C C17 . LIG_DA DA 29 .   ? 29.259  12.236  -20.899 1.00 1.19  1   DA 1 
HETATM 2974 C C18 . LIG_DA DA 29 .   ? 28.641  11.825  -22.060 1.00 1.20  1   DA 1 
HETATM 2975 O O1  . LIG_DA DA 29 .   ? 29.296  11.540  -23.016 1.00 1.40  1   DA 1 
HETATM 2976 O O2  . LIG_DA DA 29 .   ? 27.402  11.761  -22.057 1.00 1.36  1   DA 1 
HETATM 2977 C C19 . LIG_DA DA 29 .   ? 26.850  11.568  -23.251 1.00 1.16  1   DA 1 
HETATM 2978 C C20 . LIG_DA DA 29 .   ? 25.531  12.155  -23.327 1.00 1.16  1   DA 1 
HETATM 2979 C C21 . LIG_DA DA 29 .   ? 25.486  13.471  -24.016 1.00 1.18  1   DA 1 
HETATM 2980 O O3  . LIG_DA DA 29 .   ? 26.711  14.046  -24.062 1.00 1.23  1   DA 1 
HETATM 2981 P P1  . LIG_DA DA 29 .   ? 26.924  15.469  -24.746 1.00 1.30  1   DA 1 
HETATM 2982 O O4  . LIG_DA DA 29 .   ? 26.005  16.346  -24.054 1.00 1.26  1   DA 1 
HETATM 2983 O O5  . LIG_DA DA 29 .   ? 26.588  15.286  -26.127 1.00 1.19  1   DA 1 
HETATM 2984 O O6  . LIG_DA DA 29 .   ? 28.282  15.807  -24.503 1.00 1.32  1   DA 1 
HETATM 2985 O O7  . LIG_DA DA 29 .   ? 25.054  12.307  -22.041 1.00 1.23  1   DA 1 
HETATM 2986 C C22 . LIG_DA DA 29 .   ? 24.110  11.510  -21.745 1.00 1.22  1   DA 1 
HETATM 2987 O O8  . LIG_DA DA 29 .   ? 23.768  10.633  -22.470 1.00 1.23  1   DA 1 
HETATM 2988 C C23 . LIG_DA DA 29 .   ? 23.546  11.684  -20.518 1.00 1.16  1   DA 1 
HETATM 2989 C C24 . LIG_DA DA 29 .   ? 24.414  11.891  -19.523 1.00 1.25  1   DA 1 
HETATM 2990 C C25 . LIG_DA DA 29 .   ? 23.926  11.793  -18.360 1.00 1.31  1   DA 1 
HETATM 2991 C C26 . LIG_DA DA 29 .   ? 23.751  12.777  -17.605 1.00 1.36  1   DA 1 
HETATM 2992 C C27 . LIG_DA DA 29 .   ? 24.097  12.731  -16.426 1.00 1.35  1   DA 1 
HETATM 2993 C C28 . LIG_DA DA 29 .   ? 23.745  13.404  -15.500 1.00 1.23  1   DA 1 
HETATM 2994 C C29 . LIG_DA DA 29 .   ? 23.655  13.171  -14.359 1.00 1.29  1   DA 1 
HETATM 2995 C C30 . LIG_DA DA 29 .   ? 23.268  13.435  -13.376 1.00 1.30  1   DA 1 
HETATM 2996 C C31 . LIG_DA DA 29 .   ? 22.841  13.100  -12.404 1.00 1.32  1   DA 1 
HETATM 2997 C C32 . LIG_DA DA 29 .   ? 22.324  12.301  -11.887 1.00 1.44  1   DA 1 
HETATM 2998 C C33 . LIG_DA DA 29 .   ? 21.782  11.805  -11.029 1.00 1.32  1   DA 1 
HETATM 2999 C C34 . LIG_DA DA 29 .   ? 21.331  10.690  -10.889 1.00 1.33  1   DA 1 
HETATM 3000 C C35 . LIG_DA DA 29 .   ? 20.796  10.140  -10.001 1.00 1.37  1   DA 1 
HETATM 3001 C C36 . LIG_DA DA 29 .   ? 20.515  8.977   -9.763  1.00 1.40  1   DA 1 
HETATM 3002 C C37 . LIG_DA DA 29 .   ? 20.034  8.491   -8.729  1.00 1.36  1   DA 1 
HETATM 3003 C C38 . LIG_DA DA 29 .   ? 19.801  7.347   -8.389  1.00 1.31  1   DA 1 
HETATM 3004 C C39 . LIG_DA DA 29 .   ? 19.245  6.967   -7.248  1.00 1.39  1   DA 1 
HETATM 3005 C C1  . LIG_AB AB 30 .   ? 5.682   15.469  -4.706  1.00 1.97  1   AB 1 
HETATM 3006 C C2  . LIG_AB AB 30 .   ? 4.895   15.228  -4.656  1.00 1.85  1   AB 1 
HETATM 3007 C C3  . LIG_AB AB 30 .   ? 4.102   14.770  -4.096  1.00 1.72  1   AB 1 
HETATM 3008 C C4  . LIG_AB AB 30 .   ? 3.496   14.284  -3.400  1.00 1.91  1   AB 1 
HETATM 3009 C C5  . LIG_AB AB 30 .   ? 2.907   13.782  -2.673  1.00 1.91  1   AB 1 
HETATM 3010 C C6  . LIG_AB AB 30 .   ? 2.360   13.269  -1.911  1.00 1.63  1   AB 1 
HETATM 3011 C C7  . LIG_AB AB 30 .   ? 1.811   12.757  -1.153  1.00 1.67  1   AB 1 
HETATM 3012 C C8  . LIG_AB AB 30 .   ? 1.244   12.236  -0.404  1.00 1.70  1   AB 1 
HETATM 3013 C C9  . LIG_AB AB 30 .   ? 0.636   11.728  0.311   1.00 1.85  1   AB 1 
HETATM 3014 C C10 . LIG_AB AB 30 .   ? -0.035  11.184  1.021   1.00 2.13  1   AB 1 
HETATM 3015 C C11 . LIG_AB AB 30 .   ? -0.693  10.642  1.697   1.00 1.98  1   AB 1 
HETATM 3016 C C12 . LIG_AB AB 30 .   ? -1.324  10.090  2.411   1.00 2.36  1   AB 1 
HETATM 3017 C C13 . LIG_AB AB 30 .   ? -1.960  9.536   3.112   1.00 1.69  1   AB 1 
HETATM 3018 C C14 . LIG_AB AB 30 .   ? -2.429  8.975   3.935   1.00 1.72  1   AB 1 
HETATM 3019 C C15 . LIG_AB AB 30 .   ? -2.966  8.471   4.735   1.00 1.78  1   AB 1 
HETATM 3020 C C16 . LIG_AB AB 30 .   ? -3.173  7.974   5.755   1.00 1.79  1   AB 1 
HETATM 3021 C C17 . LIG_AB AB 30 .   ? -3.739  7.617   6.605   1.00 1.48  1   AB 1 
HETATM 3022 C C18 . LIG_AB AB 30 .   ? -3.636  7.099   7.778   1.00 1.57  1   AB 1 
HETATM 3023 O O1  . LIG_AB AB 30 .   ? -4.577  7.074   8.487   1.00 2.39  1   AB 1 
HETATM 3024 O O2  . LIG_AB AB 30 .   ? -2.512  6.671   8.045   1.00 2.11  1   AB 1 
HETATM 3025 C C19 . LIG_AB AB 30 .   ? -2.345  6.222   9.278   1.00 1.51  1   AB 1 
HETATM 3026 C C20 . LIG_AB AB 30 .   ? -1.050  5.641   9.469   1.00 1.93  1   AB 1 
HETATM 3027 C C21 . LIG_AB AB 30 .   ? -0.855  5.246   10.892  1.00 1.72  1   AB 1 
HETATM 3028 O O3  . LIG_AB AB 30 .   ? -2.009  5.037   11.477  1.00 2.10  1   AB 1 
HETATM 3029 P P1  . LIG_AB AB 30 .   ? -2.093  4.158   12.762  1.00 2.20  1   AB 1 
HETATM 3030 O O4  . LIG_AB AB 30 .   ? -1.817  4.977   13.899  1.00 1.94  1   AB 1 
HETATM 3031 O O5  . LIG_AB AB 30 .   ? -1.404  2.956   12.582  1.00 2.65  1   AB 1 
HETATM 3032 O O6  . LIG_AB AB 30 .   ? -3.621  3.936   12.735  1.00 1.99  1   AB 1 
HETATM 3033 C C22 . LIG_AB AB 30 .   ? -4.158  2.826   12.755  1.00 2.60  1   AB 1 
HETATM 3034 C C23 . LIG_AB AB 30 .   ? -5.331  2.786   12.030  1.00 2.84  1   AB 1 
HETATM 3035 N N1  . LIG_AB AB 30 .   ? -6.076  1.639   12.150  1.00 4.33  1   AB 1 
HETATM 3036 C C24 . LIG_AB AB 30 .   ? -5.267  0.515   11.873  1.00 3.68  1   AB 1 
HETATM 3037 C C25 . LIG_AB AB 30 .   ? -7.121  1.742   11.225  1.00 3.08  1   AB 1 
HETATM 3038 C C26 . LIG_AB AB 30 .   ? -6.595  1.538   13.450  1.00 3.52  1   AB 1 
HETATM 3039 O O7  . LIG_AB AB 30 .   ? -0.119  6.600   9.161   1.00 1.97  1   AB 1 
HETATM 3040 C C27 . LIG_AB AB 30 .   ? 1.015   6.179   8.852   1.00 2.12  1   AB 1 
HETATM 3041 O O8  . LIG_AB AB 30 .   ? 1.387   5.076   9.081   1.00 1.94  1   AB 1 
HETATM 3042 C C28 . LIG_AB AB 30 .   ? 1.773   7.000   8.226   1.00 1.90  1   AB 1 
HETATM 3043 C C29 . LIG_AB AB 30 .   ? 1.863   7.790   7.497   1.00 2.03  1   AB 1 
HETATM 3044 C C30 . LIG_AB AB 30 .   ? 2.421   8.500   6.784   1.00 1.93  1   AB 1 
HETATM 3045 C C31 . LIG_AB AB 30 .   ? 2.828   9.183   6.024   1.00 1.72  1   AB 1 
HETATM 3046 C C32 . LIG_AB AB 30 .   ? 3.340   9.851   5.280   1.00 1.91  1   AB 1 
HETATM 3047 C C33 . LIG_AB AB 30 .   ? 3.778   10.507  4.488   1.00 1.67  1   AB 1 
HETATM 3048 C C34 . LIG_AB AB 30 .   ? 4.249   11.136  3.669   1.00 1.63  1   AB 1 
HETATM 3049 C C35 . LIG_AB AB 30 .   ? 4.697   11.741  2.833   1.00 1.66  1   AB 1 
HETATM 3050 C C36 . LIG_AB AB 30 .   ? 5.141   12.335  1.976   1.00 1.74  1   AB 1 
HETATM 3051 C C37 . LIG_AB AB 30 .   ? 5.581   12.899  1.093   1.00 1.70  1   AB 1 
HETATM 3052 C C38 . LIG_AB AB 30 .   ? 6.007   13.439  0.203   1.00 1.55  1   AB 1 
HETATM 3053 C C39 . LIG_AB AB 30 .   ? 6.391   13.976  -0.722  1.00 1.58  1   AB 1 
HETATM 3054 C C40 . LIG_AB AB 30 .   ? 6.690   14.496  -1.668  1.00 1.72  1   AB 1 
HETATM 3055 C C41 . LIG_AB AB 30 .   ? 6.917   15.009  -2.637  1.00 1.43  1   AB 1 
HETATM 3056 C C42 . LIG_AB AB 30 .   ? 7.089   15.507  -3.571  1.00 1.39  1   AB 1 
HETATM 3057 C C43 . LIG_AB AB 30 .   ? 7.285   16.014  -4.512  1.00 1.30  1   AB 1 
HETATM 3058 C C44 . LIG_AB AB 30 .   ? 7.575   16.592  -5.513  1.00 1.34  1   AB 1 
HETATM 3059 C C1  . LIG_BB BB 31 .   ? 16.807  -1.737  -21.211 1.00 1.64  1   BB 1 
HETATM 3060 C C2  . LIG_BB BB 31 .   ? 15.880  -1.925  -20.701 1.00 1.81  1   BB 1 
HETATM 3061 C C3  . LIG_BB BB 31 .   ? 14.941  -2.246  -20.204 1.00 1.99  1   BB 1 
HETATM 3062 C C4  . LIG_BB BB 31 .   ? 13.998  -2.628  -19.708 1.00 2.23  1   BB 1 
HETATM 3063 C C5  . LIG_BB BB 31 .   ? 13.070  -3.066  -19.236 1.00 2.06  1   BB 1 
HETATM 3064 C C6  . LIG_BB BB 31 .   ? 12.158  -3.546  -18.753 1.00 1.89  1   BB 1 
HETATM 3065 C C7  . LIG_BB BB 31 .   ? 11.311  -4.022  -18.222 1.00 1.99  1   BB 1 
HETATM 3066 C C8  . LIG_BB BB 31 .   ? 10.537  -4.526  -17.620 1.00 1.92  1   BB 1 
HETATM 3067 C C9  . LIG_BB BB 31 .   ? 9.841   -5.005  -16.940 1.00 2.19  1   BB 1 
HETATM 3068 C C10 . LIG_BB BB 31 .   ? 9.218   -5.512  -16.146 1.00 2.40  1   BB 1 
HETATM 3069 C C11 . LIG_BB BB 31 .   ? 8.696   -5.994  -15.307 1.00 2.23  1   BB 1 
HETATM 3070 C C12 . LIG_BB BB 31 .   ? 8.242   -6.493  -14.411 1.00 2.57  1   BB 1 
HETATM 3071 C C13 . LIG_BB BB 31 .   ? 7.841   -7.024  -13.534 1.00 1.94  1   BB 1 
HETATM 3072 C C14 . LIG_BB BB 31 .   ? 7.558   -7.624  -12.624 1.00 1.95  1   BB 1 
HETATM 3073 C C15 . LIG_BB BB 31 .   ? 7.200   -8.210  -11.777 1.00 2.12  1   BB 1 
HETATM 3074 C C16 . LIG_BB BB 31 .   ? 7.118   -8.910  -10.852 1.00 2.16  1   BB 1 
HETATM 3075 C C17 . LIG_BB BB 31 .   ? 6.648   -9.452  -10.016 1.00 1.74  1   BB 1 
HETATM 3076 C C18 . LIG_BB BB 31 .   ? 6.893   -10.218 -9.000  1.00 1.97  1   BB 1 
HETATM 3077 O O1  . LIG_BB BB 31 .   ? 6.255   -10.162 -8.019  1.00 2.79  1   BB 1 
HETATM 3078 O O2  . LIG_BB BB 31 .   ? 7.855   -10.952 -9.150  1.00 2.43  1   BB 1 
HETATM 3079 C C19 . LIG_BB BB 31 .   ? 8.173   -11.737 -8.140  1.00 2.19  1   BB 1 
HETATM 3080 C C20 . LIG_BB BB 31 .   ? 9.447   -12.424 -8.398  1.00 2.35  1   BB 1 
HETATM 3081 C C21 . LIG_BB BB 31 .   ? 9.646   -13.461 -7.374  1.00 2.50  1   BB 1 
HETATM 3082 O O3  . LIG_BB BB 31 .   ? 8.642   -14.318 -7.518  1.00 2.16  1   BB 1 
HETATM 3083 P P1  . LIG_BB BB 31 .   ? 8.666   -15.777 -7.012  1.00 2.50  1   BB 1 
HETATM 3084 O O4  . LIG_BB BB 31 .   ? 8.242   -15.752 -5.634  1.00 2.06  1   BB 1 
HETATM 3085 O O5  . LIG_BB BB 31 .   ? 7.930   -16.560 -7.920  1.00 1.87  1   BB 1 
HETATM 3086 O O6  . LIG_BB BB 31 .   ? 10.161  -16.136 -7.102  1.00 1.87  1   BB 1 
HETATM 3087 C C22 . LIG_BB BB 31 .   ? 10.711  -16.883 -6.222  1.00 2.56  1   BB 1 
HETATM 3088 C C23 . LIG_BB BB 31 .   ? 12.032  -17.004 -6.476  1.00 2.22  1   BB 1 
HETATM 3089 N N1  . LIG_BB BB 31 .   ? 12.688  -16.022 -6.637  1.00 4.13  1   BB 1 
HETATM 3090 O O7  . LIG_BB BB 31 .   ? 10.446  -11.479 -8.319  1.00 1.98  1   BB 1 
HETATM 3091 C C24 . LIG_BB BB 31 .   ? 11.097  -11.347 -9.385  1.00 1.95  1   BB 1 
HETATM 3092 O O8  . LIG_BB BB 31 .   ? 11.095  -12.187 -10.221 1.00 1.86  1   BB 1 
HETATM 3093 C C25 . LIG_BB BB 31 .   ? 11.720  -10.222 -9.534  1.00 2.04  1   BB 1 
HETATM 3094 C C26 . LIG_BB BB 31 .   ? 11.906  -9.538  -10.433 1.00 2.44  1   BB 1 
HETATM 3095 C C27 . LIG_BB BB 31 .   ? 12.274  -8.672  -11.008 1.00 2.55  1   BB 1 
HETATM 3096 C C28 . LIG_BB BB 31 .   ? 12.601  -7.976  -11.808 1.00 1.89  1   BB 1 
HETATM 3097 C C29 . LIG_BB BB 31 .   ? 13.045  -7.275  -12.543 1.00 1.90  1   BB 1 
HETATM 3098 C C30 . LIG_BB BB 31 .   ? 13.538  -6.685  -13.355 1.00 1.91  1   BB 1 
HETATM 3099 C C31 . LIG_BB BB 31 .   ? 14.097  -6.163  -14.151 1.00 1.80  1   BB 1 
HETATM 3100 C C32 . LIG_BB BB 31 .   ? 14.703  -5.730  -14.951 1.00 1.97  1   BB 1 
HETATM 3101 C C33 . LIG_BB BB 31 .   ? 15.372  -5.367  -15.728 1.00 1.82  1   BB 1 
HETATM 3102 C C34 . LIG_BB BB 31 .   ? 16.098  -5.014  -16.482 1.00 1.72  1   BB 1 
HETATM 3103 C C35 . LIG_BB BB 31 .   ? 16.861  -4.704  -17.207 1.00 1.74  1   BB 1 
HETATM 3104 C C36 . LIG_BB BB 31 .   ? 17.645  -4.422  -17.928 1.00 1.79  1   BB 1 
HETATM 3105 C C37 . LIG_BB BB 31 .   ? 18.403  -4.128  -18.664 1.00 1.83  1   BB 1 
HETATM 3106 C C38 . LIG_BB BB 31 .   ? 19.112  -3.787  -19.443 1.00 1.49  1   BB 1 
HETATM 3107 C C39 . LIG_BB BB 31 .   ? 19.692  -3.337  -20.275 1.00 1.51  1   BB 1 
HETATM 3108 C C40 . LIG_BB BB 31 .   ? 19.947  -2.717  -21.066 1.00 1.44  1   BB 1 
HETATM 3109 C C41 . LIG_BB BB 31 .   ? 19.963  -2.074  -21.794 1.00 1.31  1   BB 1 
HETATM 3110 C C1  . LIG_DB DB 32 .   ? -0.227  31.728  -4.559  1.00 1.62  1   DB 1 
HETATM 3111 C C2  . LIG_DB DB 32 .   ? -1.320  31.184  -4.627  1.00 1.51  1   DB 1 
HETATM 3112 C C3  . LIG_DB DB 32 .   ? -2.075  30.413  -4.495  1.00 1.48  1   DB 1 
HETATM 3113 C C4  . LIG_DB DB 32 .   ? -2.981  29.778  -4.258  1.00 1.42  1   DB 1 
HETATM 3114 C C5  . LIG_DB DB 32 .   ? -3.631  28.974  -3.891  1.00 1.38  1   DB 1 
HETATM 3115 C C6  . LIG_DB DB 32 .   ? -4.392  28.384  -3.352  1.00 1.31  1   DB 1 
HETATM 3116 C C7  . LIG_DB DB 32 .   ? -4.985  27.765  -2.715  1.00 1.28  1   DB 1 
HETATM 3117 C C8  . LIG_DB DB 32 .   ? -5.693  27.348  -2.000  1.00 1.32  1   DB 1 
HETATM 3118 C C9  . LIG_DB DB 32 .   ? -6.340  26.897  -1.286  1.00 1.31  1   DB 1 
HETATM 3119 C C10 . LIG_DB DB 32 .   ? -7.093  26.548  -0.534  1.00 1.39  1   DB 1 
HETATM 3120 C C11 . LIG_DB DB 32 .   ? -7.771  26.092  0.149   1.00 1.32  1   DB 1 
HETATM 3121 C C12 . LIG_DB DB 32 .   ? -8.589  25.902  0.923   1.00 1.38  1   DB 1 
HETATM 3122 C C13 . LIG_DB DB 32 .   ? -9.227  25.200  1.560   1.00 1.25  1   DB 1 
HETATM 3123 C C14 . LIG_DB DB 32 .   ? -10.083 25.245  2.416   1.00 1.26  1   DB 1 
HETATM 3124 C C15 . LIG_DB DB 32 .   ? -10.654 24.298  2.990   1.00 1.28  1   DB 1 
HETATM 3125 C C16 . LIG_DB DB 32 .   ? -11.486 24.444  3.959   1.00 1.29  1   DB 1 
HETATM 3126 C C17 . LIG_DB DB 32 .   ? -12.056 23.360  4.519   1.00 1.17  1   DB 1 
HETATM 3127 C C18 . LIG_DB DB 32 .   ? -12.791 23.700  5.639   1.00 1.17  1   DB 1 
HETATM 3128 O O1  . LIG_DB DB 32 .   ? -13.971 23.676  5.641   1.00 1.34  1   DB 1 
HETATM 3129 O O2  . LIG_DB DB 32 .   ? -12.096 24.029  6.602   1.00 1.26  1   DB 1 
HETATM 3130 C C19 . LIG_DB DB 32 .   ? -12.736 24.344  7.736   1.00 1.14  1   DB 1 
HETATM 3131 C C20 . LIG_DB DB 32 .   ? -11.759 24.600  8.795   1.00 1.14  1   DB 1 
HETATM 3132 C C21 . LIG_DB DB 32 .   ? -12.416 24.794  10.075  1.00 1.13  1   DB 1 
HETATM 3133 O O3  . LIG_DB DB 32 .   ? -12.056 23.747  10.884  1.00 1.17  1   DB 1 
HETATM 3134 P P1  . LIG_DB DB 32 .   ? -12.519 23.670  12.379  1.00 1.14  1   DB 1 
HETATM 3135 O O4  . LIG_DB DB 32 .   ? -13.890 23.155  12.324  1.00 1.12  1   DB 1 
HETATM 3136 O O5  . LIG_DB DB 32 .   ? -11.585 22.779  12.978  1.00 1.13  1   DB 1 
HETATM 3137 O O6  . LIG_DB DB 32 .   ? -12.458 25.015  12.877  1.00 1.16  1   DB 1 
HETATM 3138 O O7  . LIG_DB DB 32 .   ? -10.918 25.659  8.501   1.00 1.21  1   DB 1 
HETATM 3139 C C22 . LIG_DB DB 32 .   ? -11.335 26.879  8.508   1.00 1.22  1   DB 1 
HETATM 3140 O O8  . LIG_DB DB 32 .   ? -12.447 27.200  8.714   1.00 1.21  1   DB 1 
HETATM 3141 C C23 . LIG_DB DB 32 .   ? -10.340 27.771  8.168   1.00 1.17  1   DB 1 
HETATM 3142 C C24 . LIG_DB DB 32 .   ? -10.171 27.837  6.828   1.00 1.31  1   DB 1 
HETATM 3143 C C25 . LIG_DB DB 32 .   ? -9.310  28.707  6.392   1.00 1.33  1   DB 1 
HETATM 3144 C C26 . LIG_DB DB 32 .   ? -8.979  28.620  5.141   1.00 1.36  1   DB 1 
HETATM 3145 C C27 . LIG_DB DB 32 .   ? -8.182  29.454  4.605   1.00 1.32  1   DB 1 
HETATM 3146 C C28 . LIG_DB DB 32 .   ? -7.716  29.337  3.444   1.00 1.23  1   DB 1 
HETATM 3147 C C29 . LIG_DB DB 32 .   ? -7.070  30.016  2.752   1.00 1.25  1   DB 1 
HETATM 3148 C C30 . LIG_DB DB 32 .   ? -6.501  30.159  1.796   1.00 1.33  1   DB 1 
HETATM 3149 C C31 . LIG_DB DB 32 .   ? -5.984  30.730  0.991   1.00 1.28  1   DB 1 
HETATM 3150 C C32 . LIG_DB DB 32 .   ? -5.349  31.079  0.180   1.00 1.33  1   DB 1 
HETATM 3151 C C33 . LIG_DB DB 32 .   ? -4.973  31.809  -0.591  1.00 1.25  1   DB 1 
HETATM 3152 C C34 . LIG_DB DB 32 .   ? -4.067  32.385  -0.986  1.00 1.31  1   DB 1 
HETATM 3153 C C35 . LIG_DB DB 32 .   ? -3.736  33.215  -1.741  1.00 1.33  1   DB 1 
HETATM 3154 C C36 . LIG_DB DB 32 .   ? -2.695  33.854  -1.903  1.00 1.38  1   DB 1 
HETATM 3155 C C37 . LIG_DB DB 32 .   ? -2.330  34.555  -2.855  1.00 1.42  1   DB 1 
HETATM 3156 C C38 . LIG_DB DB 32 .   ? -1.237  35.138  -3.040  1.00 1.32  1   DB 1 
HETATM 3157 C C39 . LIG_DB DB 32 .   ? -0.736  35.466  -4.180  1.00 1.29  1   DB 1 
HETATM 3158 C C1  . LIG_AC AC 33 .   ? 23.125  0.373   -19.218 1.00 1.80  1   AC 1 
HETATM 3159 C C2  . LIG_AC AC 33 .   ? 22.296  0.767   -19.310 1.00 1.86  1   AC 1 
HETATM 3160 C C3  . LIG_AC AC 33 .   ? 21.360  0.908   -18.824 1.00 1.83  1   AC 1 
HETATM 3161 C C4  . LIG_AC AC 33 .   ? 20.722  0.688   -18.015 1.00 1.97  1   AC 1 
HETATM 3162 C C5  . LIG_AC AC 33 .   ? 20.263  0.280   -17.130 1.00 1.78  1   AC 1 
HETATM 3163 C C6  . LIG_AC AC 33 .   ? 19.942  -0.307  -16.261 1.00 1.56  1   AC 1 
HETATM 3164 C C7  . LIG_AC AC 33 .   ? 19.685  -1.014  -15.485 1.00 1.65  1   AC 1 
HETATM 3165 C C8  . LIG_AC AC 33 .   ? 19.472  -1.857  -14.813 1.00 1.62  1   AC 1 
HETATM 3166 C C9  . LIG_AC AC 33 .   ? 19.225  -2.725  -14.213 1.00 1.76  1   AC 1 
HETATM 3167 C C10 . LIG_AC AC 33 .   ? 18.948  -3.652  -13.631 1.00 1.94  1   AC 1 
HETATM 3168 C C11 . LIG_AC AC 33 .   ? 18.658  -4.563  -13.090 1.00 1.82  1   AC 1 
HETATM 3169 C C12 . LIG_AC AC 33 .   ? 18.356  -5.484  -12.513 1.00 2.08  1   AC 1 
HETATM 3170 C C13 . LIG_AC AC 33 .   ? 18.016  -6.389  -11.983 1.00 1.54  1   AC 1 
HETATM 3171 C C14 . LIG_AC AC 33 .   ? 17.728  -7.297  -11.368 1.00 1.56  1   AC 1 
HETATM 3172 C C15 . LIG_AC AC 33 .   ? 17.413  -8.188  -10.834 1.00 1.58  1   AC 1 
HETATM 3173 C C16 . LIG_AC AC 33 .   ? 17.175  -9.063  -10.119 1.00 1.55  1   AC 1 
HETATM 3174 C C17 . LIG_AC AC 33 .   ? 16.822  -9.884  -9.607  1.00 1.40  1   AC 1 
HETATM 3175 C C18 . LIG_AC AC 33 .   ? 16.671  -10.689 -8.651  1.00 1.42  1   AC 1 
HETATM 3176 O O1  . LIG_AC AC 33 .   ? 15.599  -11.094 -8.425  1.00 2.48  1   AC 1 
HETATM 3177 O O2  . LIG_AC AC 33 .   ? 17.671  -10.953 -8.019  1.00 1.90  1   AC 1 
HETATM 3178 C C19 . LIG_AC AC 33 .   ? 17.454  -11.603 -6.927  1.00 1.43  1   AC 1 
HETATM 3179 C C20 . LIG_AC AC 33 .   ? 18.582  -12.308 -6.394  1.00 1.41  1   AC 1 
HETATM 3180 C C21 . LIG_AC AC 33 .   ? 18.293  -12.676 -4.984  1.00 1.47  1   AC 1 
HETATM 3181 O O3  . LIG_AC AC 33 .   ? 17.104  -13.233 -4.901  1.00 1.47  1   AC 1 
HETATM 3182 P P1  . LIG_AC AC 33 .   ? 16.705  -14.042 -3.651  1.00 1.56  1   AC 1 
HETATM 3183 O O4  . LIG_AC AC 33 .   ? 15.389  -14.530 -3.880  1.00 1.47  1   AC 1 
HETATM 3184 O O5  . LIG_AC AC 33 .   ? 16.984  -13.343 -2.467  1.00 1.43  1   AC 1 
HETATM 3185 O O6  . LIG_AC AC 33 .   ? 17.725  -15.170 -3.760  1.00 1.44  1   AC 1 
HETATM 3186 C C22 . LIG_AC AC 33 .   ? 17.448  -16.380 -3.933  1.00 1.70  1   AC 1 
HETATM 3187 C C23 . LIG_AC AC 33 .   ? 18.070  -16.909 -5.061  1.00 1.52  1   AC 1 
HETATM 3188 N N1  . LIG_AC AC 33 .   ? 18.685  -18.121 -4.899  1.00 2.28  1   AC 1 
HETATM 3189 C C24 . LIG_AC AC 33 .   ? 19.475  -18.315 -6.036  1.00 1.64  1   AC 1 
HETATM 3190 C C25 . LIG_AC AC 33 .   ? 17.702  -19.122 -4.775  1.00 1.75  1   AC 1 
HETATM 3191 C C26 . LIG_AC AC 33 .   ? 19.499  -18.094 -3.737  1.00 1.70  1   AC 1 
HETATM 3192 O O7  . LIG_AC AC 33 .   ? 19.684  -11.511 -6.363  1.00 1.48  1   AC 1 
HETATM 3193 C C27 . LIG_AC AC 33 .   ? 20.718  -12.035 -6.817  1.00 1.47  1   AC 1 
HETATM 3194 O O8  . LIG_AC AC 33 .   ? 20.751  -13.176 -7.149  1.00 1.50  1   AC 1 
HETATM 3195 C C28 . LIG_AC AC 33 .   ? 21.694  -11.213 -6.976  1.00 1.36  1   AC 1 
HETATM 3196 C C29 . LIG_AC AC 33 .   ? 21.914  -10.310 -7.580  1.00 1.53  1   AC 1 
HETATM 3197 C C30 . LIG_AC AC 33 .   ? 22.411  -9.476  -8.107  1.00 1.55  1   AC 1 
HETATM 3198 C C31 . LIG_AC AC 33 .   ? 22.703  -8.629  -8.774  1.00 1.49  1   AC 1 
HETATM 3199 C C32 . LIG_AC AC 33 .   ? 23.039  -7.827  -9.429  1.00 1.63  1   AC 1 
HETATM 3200 C C33 . LIG_AC AC 33 .   ? 23.297  -7.026  -10.164 1.00 1.53  1   AC 1 
HETATM 3201 C C34 . LIG_AC AC 33 .   ? 23.511  -6.256  -10.935 1.00 1.48  1   AC 1 
HETATM 3202 C C35 . LIG_AC AC 33 .   ? 23.682  -5.506  -11.750 1.00 1.52  1   AC 1 
HETATM 3203 C C36 . LIG_AC AC 33 .   ? 23.828  -4.790  -12.603 1.00 1.56  1   AC 1 
HETATM 3204 C C37 . LIG_AC AC 33 .   ? 23.972  -4.092  -13.486 1.00 1.57  1   AC 1 
HETATM 3205 C C38 . LIG_AC AC 33 .   ? 24.125  -3.418  -14.395 1.00 1.44  1   AC 1 
HETATM 3206 C C39 . LIG_AC AC 33 .   ? 24.282  -2.763  -15.341 1.00 1.49  1   AC 1 
HETATM 3207 C C40 . LIG_AC AC 33 .   ? 24.432  -2.135  -16.278 1.00 1.63  1   AC 1 
HETATM 3208 C C41 . LIG_AC AC 33 .   ? 24.572  -1.509  -17.223 1.00 1.42  1   AC 1 
HETATM 3209 C C42 . LIG_AC AC 33 .   ? 24.707  -0.921  -18.122 1.00 1.42  1   AC 1 
HETATM 3210 C C43 . LIG_AC AC 33 .   ? 24.879  -0.361  -19.034 1.00 1.31  1   AC 1 
HETATM 3211 C C44 . LIG_AC AC 33 .   ? 25.192  0.240   -20.049 1.00 1.38  1   AC 1 
HETATM 3212 C C1  . LIG_BC BC 34 .   ? -14.699 16.997  -19.880 1.00 1.40  1   BC 1 
HETATM 3213 C C2  . LIG_BC BC 34 .   ? -14.316 16.135  -18.985 1.00 1.41  1   BC 1 
HETATM 3214 C C3  . LIG_BC BC 34 .   ? -13.542 16.273  -18.015 1.00 1.34  1   BC 1 
HETATM 3215 C C4  . LIG_BC BC 34 .   ? -13.258 15.309  -17.184 1.00 1.38  1   BC 1 
HETATM 3216 C C5  . LIG_BC BC 34 .   ? -14.015 14.833  -16.335 1.00 1.38  1   BC 1 
HETATM 3217 C C6  . LIG_BC BC 34 .   ? -14.164 14.006  -15.527 1.00 1.32  1   BC 1 
HETATM 3218 C C7  . LIG_BC BC 34 .   ? -14.917 13.513  -14.808 1.00 1.28  1   BC 1 
HETATM 3219 C C8  . LIG_BC BC 34 .   ? -15.443 12.742  -14.209 1.00 1.33  1   BC 1 
HETATM 3220 C C9  . LIG_BC BC 34 .   ? -16.251 12.220  -13.634 1.00 1.31  1   BC 1 
HETATM 3221 C C10 . LIG_BC BC 34 .   ? -16.953 11.484  -13.129 1.00 1.37  1   BC 1 
HETATM 3222 C C11 . LIG_BC BC 34 .   ? -17.813 11.014  -12.598 1.00 1.41  1   BC 1 
HETATM 3223 C C12 . LIG_BC BC 34 .   ? -18.550 10.194  -12.211 1.00 1.48  1   BC 1 
HETATM 3224 C C13 . LIG_BC BC 34 .   ? -19.524 10.086  -11.525 1.00 1.34  1   BC 1 
HETATM 3225 C C14 . LIG_BC BC 34 .   ? -20.218 9.128   -11.056 1.00 1.36  1   BC 1 
HETATM 3226 C C15 . LIG_BC BC 34 .   ? -21.182 9.222   -10.206 1.00 1.35  1   BC 1 
HETATM 3227 C C16 . LIG_BC BC 34 .   ? -21.859 8.172   -9.713  1.00 1.33  1   BC 1 
HETATM 3228 C C17 . LIG_BC BC 34 .   ? -22.967 8.440   -8.954  1.00 1.18  1   BC 1 
HETATM 3229 C C18 . LIG_BC BC 34 .   ? -22.758 8.999   -7.694  1.00 1.22  1   BC 1 
HETATM 3230 O O1  . LIG_BC BC 34 .   ? -23.491 9.857   -7.288  1.00 1.43  1   BC 1 
HETATM 3231 O O2  . LIG_BC BC 34 .   ? -21.779 8.576   -7.063  1.00 1.37  1   BC 1 
HETATM 3232 C C19 . LIG_BC BC 34 .   ? -21.646 8.985   -5.792  1.00 1.17  1   BC 1 
HETATM 3233 C C20 . LIG_BC BC 34 .   ? -20.497 8.307   -5.190  1.00 1.21  1   BC 1 
HETATM 3234 C C21 . LIG_BC BC 34 .   ? -20.682 8.246   -3.721  1.00 1.20  1   BC 1 
HETATM 3235 O O3  . LIG_BC BC 34 .   ? -19.987 7.193   -3.270  1.00 1.28  1   BC 1 
HETATM 3236 P P1  . LIG_BC BC 34 .   ? -20.532 6.263   -2.194  1.00 1.27  1   BC 1 
HETATM 3237 O O4  . LIG_BC BC 34 .   ? -19.872 4.989   -2.375  1.00 1.22  1   BC 1 
HETATM 3238 O O5  . LIG_BC BC 34 .   ? -21.914 6.315   -2.077  1.00 1.20  1   BC 1 
HETATM 3239 O O6  . LIG_BC BC 34 .   ? -19.879 6.951   -0.938  1.00 1.29  1   BC 1 
HETATM 3240 C C22 . LIG_BC BC 34 .   ? -20.273 6.605   0.198   1.00 1.30  1   BC 1 
HETATM 3241 C C23 . LIG_BC BC 34 .   ? -19.480 7.095   1.239   1.00 1.25  1   BC 1 
HETATM 3242 N N1  . LIG_BC BC 34 .   ? -19.779 6.566   2.383   1.00 2.06  1   BC 1 
HETATM 3243 O O7  . LIG_BC BC 34 .   ? -19.358 9.032   -5.478  1.00 1.24  1   BC 1 
HETATM 3244 C C24 . LIG_BC BC 34 .   ? -18.480 8.413   -6.117  1.00 1.22  1   BC 1 
HETATM 3245 O O8  . LIG_BC BC 34 .   ? -18.597 7.252   -6.411  1.00 1.23  1   BC 1 
HETATM 3246 C C25 . LIG_BC BC 34 .   ? -17.389 9.165   -6.433  1.00 1.24  1   BC 1 
HETATM 3247 C C26 . LIG_BC BC 34 .   ? -16.687 8.771   -7.484  1.00 1.36  1   BC 1 
HETATM 3248 C C27 . LIG_BC BC 34 .   ? -15.682 9.534   -7.827  1.00 1.36  1   BC 1 
HETATM 3249 C C28 . LIG_BC BC 34 .   ? -14.955 9.314   -8.839  1.00 1.22  1   BC 1 
HETATM 3250 C C29 . LIG_BC BC 34 .   ? -13.993 9.890   -9.266  1.00 1.22  1   BC 1 
HETATM 3251 C C30 . LIG_BC BC 34 .   ? -13.140 9.960   -10.017 1.00 1.26  1   BC 1 
HETATM 3252 C C31 . LIG_BC BC 34 .   ? -12.180 10.351  -10.508 1.00 1.22  1   BC 1 
HETATM 3253 C C32 . LIG_BC BC 34 .   ? -11.309 10.462  -11.188 1.00 1.24  1   BC 1 
HETATM 3254 C C33 . LIG_BC BC 34 .   ? -10.386 10.745  -11.713 1.00 1.23  1   BC 1 
HETATM 3255 C C34 . LIG_BC BC 34 .   ? -9.496  10.949  -12.364 1.00 1.21  1   BC 1 
HETATM 3256 C C35 . LIG_BC BC 34 .   ? -8.579  11.303  -12.901 1.00 1.22  1   BC 1 
HETATM 3257 C C36 . LIG_BC BC 34 .   ? -7.717  11.617  -13.530 1.00 1.28  1   BC 1 
HETATM 3258 C C37 . LIG_BC BC 34 .   ? -6.828  12.002  -14.073 1.00 1.32  1   BC 1 
HETATM 3259 C C38 . LIG_BC BC 34 .   ? -5.953  12.343  -14.677 1.00 1.28  1   BC 1 
HETATM 3260 C C39 . LIG_BC BC 34 .   ? -5.018  12.730  -15.224 1.00 1.29  1   BC 1 
HETATM 3261 C C40 . LIG_BC BC 34 .   ? -4.141  13.060  -15.791 1.00 1.28  1   BC 1 
HETATM 3262 C C41 . LIG_BC BC 34 .   ? -3.119  13.440  -16.345 1.00 1.24  1   BC 1 
HETATM 3263 C C1  . LIG_DC DC 35 .   ? 21.582  15.881  -7.491  1.00 1.28  1   DC 1 
HETATM 3264 C C2  . LIG_DC DC 35 .   ? 21.004  16.946  -7.109  1.00 1.27  1   DC 1 
HETATM 3265 C C3  . LIG_DC DC 35 .   ? 20.130  17.609  -7.655  1.00 1.28  1   DC 1 
HETATM 3266 C C4  . LIG_DC DC 35 .   ? 19.267  18.391  -7.297  1.00 1.24  1   DC 1 
HETATM 3267 C C5  . LIG_DC DC 35 .   ? 18.352  18.914  -7.868  1.00 1.23  1   DC 1 
HETATM 3268 C C6  . LIG_DC DC 35 .   ? 17.321  19.300  -7.820  1.00 1.17  1   DC 1 
HETATM 3269 C C7  . LIG_DC DC 35 .   ? 16.473  19.772  -8.455  1.00 1.19  1   DC 1 
HETATM 3270 C C8  . LIG_DC DC 35 .   ? 16.170  19.833  -9.520  1.00 1.22  1   DC 1 
HETATM 3271 C C9  . LIG_DC DC 35 .   ? 15.575  20.229  -10.377 1.00 1.23  1   DC 1 
HETATM 3272 C C10 . LIG_DC DC 35 .   ? 15.246  20.552  -11.358 1.00 1.30  1   DC 1 
HETATM 3273 C C11 . LIG_DC DC 35 .   ? 14.821  21.083  -12.178 1.00 1.29  1   DC 1 
HETATM 3274 C C12 . LIG_DC DC 35 .   ? 14.689  21.537  -13.189 1.00 1.38  1   DC 1 
HETATM 3275 C C13 . LIG_DC DC 35 .   ? 14.330  22.415  -13.761 1.00 1.28  1   DC 1 
HETATM 3276 C C14 . LIG_DC DC 35 .   ? 14.431  23.089  -14.665 1.00 1.29  1   DC 1 
HETATM 3277 C C15 . LIG_DC DC 35 .   ? 14.015  24.217  -14.937 1.00 1.37  1   DC 1 
HETATM 3278 C C16 . LIG_DC DC 35 .   ? 14.370  24.782  -16.013 1.00 1.29  1   DC 1 
HETATM 3279 C C17 . LIG_DC DC 35 .   ? 14.153  26.002  -16.195 1.00 1.19  1   DC 1 
HETATM 3280 C C18 . LIG_DC DC 35 .   ? 14.762  26.545  -17.266 1.00 1.20  1   DC 1 
HETATM 3281 O O1  . LIG_DC DC 35 .   ? 15.126  25.929  -18.202 1.00 1.46  1   DC 1 
HETATM 3282 O O2  . LIG_DC DC 35 .   ? 14.872  27.701  -17.139 1.00 1.35  1   DC 1 
HETATM 3283 C C19 . LIG_DC DC 35 .   ? 15.447  28.288  -18.149 1.00 1.18  1   DC 1 
HETATM 3284 C C20 . LIG_DC DC 35 .   ? 15.079  29.684  -18.157 1.00 1.20  1   DC 1 
HETATM 3285 C C21 . LIG_DC DC 35 .   ? 15.868  30.342  -19.215 1.00 1.20  1   DC 1 
HETATM 3286 O O3  . LIG_DC DC 35 .   ? 15.736  31.660  -19.113 1.00 1.25  1   DC 1 
HETATM 3287 P P1  . LIG_DC DC 35 .   ? 16.198  32.606  -20.280 1.00 1.34  1   DC 1 
HETATM 3288 O O4  . LIG_DC DC 35 .   ? 15.842  31.923  -21.496 1.00 1.25  1   DC 1 
HETATM 3289 O O5  . LIG_DC DC 35 .   ? 17.589  32.779  -20.087 1.00 1.21  1   DC 1 
HETATM 3290 O O6  . LIG_DC DC 35 .   ? 15.413  33.782  -20.078 1.00 1.25  1   DC 1 
HETATM 3291 O O7  . LIG_DC DC 35 .   ? 15.381  30.245  -16.920 1.00 1.25  1   DC 1 
HETATM 3292 C C22 . LIG_DC DC 35 .   ? 14.389  30.631  -16.214 1.00 1.31  1   DC 1 
HETATM 3293 O O8  . LIG_DC DC 35 .   ? 13.268  30.422  -16.537 1.00 1.32  1   DC 1 
HETATM 3294 C C23 . LIG_DC DC 35 .   ? 14.716  31.263  -15.022 1.00 1.25  1   DC 1 
HETATM 3295 C C24 . LIG_DC DC 35 .   ? 14.464  30.542  -13.907 1.00 1.36  1   DC 1 
HETATM 3296 C C25 . LIG_DC DC 35 .   ? 15.179  29.425  -13.722 1.00 1.44  1   DC 1 
HETATM 3297 C C26 . LIG_DC DC 35 .   ? 15.496  29.072  -12.495 1.00 1.54  1   DC 1 
HETATM 3298 C C27 . LIG_DC DC 35 .   ? 16.311  28.084  -12.287 1.00 1.44  1   DC 1 
HETATM 3299 C C28 . LIG_DC DC 35 .   ? 16.819  27.811  -11.174 1.00 1.29  1   DC 1 
HETATM 3300 C C29 . LIG_DC DC 35 .   ? 16.274  27.458  -10.201 1.00 1.31  1   DC 1 
HETATM 3301 C C30 . LIG_DC DC 35 .   ? 16.278  26.911  -9.233  1.00 1.41  1   DC 1 
HETATM 3302 C C31 . LIG_DC DC 35 .   ? 15.770  26.565  -8.283  1.00 1.41  1   DC 1 
HETATM 3303 C C32 . LIG_DC DC 35 .   ? 15.511  25.960  -7.393  1.00 1.51  1   DC 1 
HETATM 3304 C C33 . LIG_DC DC 35 .   ? 14.938  25.625  -6.515  1.00 1.39  1   DC 1 
HETATM 3305 C C34 . LIG_DC DC 35 .   ? 14.650  24.775  -5.766  1.00 1.38  1   DC 1 
HETATM 3306 C C35 . LIG_DC DC 35 .   ? 14.362  23.602  -6.052  1.00 1.40  1   DC 1 
HETATM 3307 C C36 . LIG_DC DC 35 .   ? 14.058  22.676  -5.257  1.00 1.47  1   DC 1 
HETATM 3308 C C37 . LIG_DC DC 35 .   ? 13.852  21.458  -5.705  1.00 1.45  1   DC 1 
HETATM 3309 C C38 . LIG_DC DC 35 .   ? 12.793  21.177  -6.360  1.00 1.34  1   DC 1 
HETATM 3310 C C39 . LIG_DC DC 35 .   ? 12.617  20.500  -7.414  1.00 1.41  1   DC 1 
HETATM 3311 C C1  . LIG_AD AD 36 .   ? 15.750  6.637   -9.126  1.00 1.89  1   AD 1 
HETATM 3312 C C2  . LIG_AD AD 36 .   ? 15.788  6.931   -8.196  1.00 1.77  1   AD 1 
HETATM 3313 C C3  . LIG_AD AD 36 .   ? 15.513  6.929   -7.105  1.00 1.71  1   AD 1 
HETATM 3314 C C4  . LIG_AD AD 36 .   ? 15.092  6.802   -6.115  1.00 1.95  1   AD 1 
HETATM 3315 C C5  . LIG_AD AD 36 .   ? 14.625  6.614   -5.119  1.00 1.80  1   AD 1 
HETATM 3316 C C6  . LIG_AD AD 36 .   ? 14.128  6.361   -4.143  1.00 1.63  1   AD 1 
HETATM 3317 C C7  . LIG_AD AD 36 .   ? 13.635  6.085   -3.194  1.00 1.69  1   AD 1 
HETATM 3318 C C8  . LIG_AD AD 36 .   ? 13.123  5.768   -2.267  1.00 1.70  1   AD 1 
HETATM 3319 C C9  . LIG_AD AD 36 .   ? 12.615  5.410   -1.365  1.00 1.85  1   AD 1 
HETATM 3320 C C10 . LIG_AD AD 36 .   ? 12.067  4.989   -0.458  1.00 2.12  1   AD 1 
HETATM 3321 C C11 . LIG_AD AD 36 .   ? 11.542  4.554   0.418   1.00 1.95  1   AD 1 
HETATM 3322 C C12 . LIG_AD AD 36 .   ? 11.018  4.050   1.283   1.00 2.27  1   AD 1 
HETATM 3323 C C13 . LIG_AD AD 36 .   ? 10.494  3.565   2.139   1.00 1.73  1   AD 1 
HETATM 3324 C C14 . LIG_AD AD 36 .   ? 10.005  2.958   2.949   1.00 1.81  1   AD 1 
HETATM 3325 C C15 . LIG_AD AD 36 .   ? 9.536   2.504   3.833   1.00 1.92  1   AD 1 
HETATM 3326 C C16 . LIG_AD AD 36 .   ? 9.107   1.748   4.599   1.00 2.08  1   AD 1 
HETATM 3327 C C17 . LIG_AD AD 36 .   ? 8.669   1.350   5.545   1.00 1.73  1   AD 1 
HETATM 3328 C C18 . LIG_AD AD 36 .   ? 8.325   0.229   6.098   1.00 1.83  1   AD 1 
HETATM 3329 O O1  . LIG_AD AD 36 .   ? 7.997   0.168   7.224   1.00 2.78  1   AD 1 
HETATM 3330 O O2  . LIG_AD AD 36 .   ? 8.369   -0.715  5.312   1.00 2.58  1   AD 1 
HETATM 3331 C C19 . LIG_AD AD 36 .   ? 8.170   -1.919  5.814   1.00 1.72  1   AD 1 
HETATM 3332 C C20 . LIG_AD AD 36 .   ? 8.253   -2.962  4.809   1.00 2.55  1   AD 1 
HETATM 3333 C C21 . LIG_AD AD 36 .   ? 8.674   -4.241  5.419   1.00 2.26  1   AD 1 
HETATM 3334 O O3  . LIG_AD AD 36 .   ? 7.709   -4.730  6.179   1.00 2.93  1   AD 1 
HETATM 3335 P P1  . LIG_AD AD 36 .   ? 7.704   -6.234  6.546   1.00 2.79  1   AD 1 
HETATM 3336 O O4  . LIG_AD AD 36 .   ? 6.524   -6.458  7.343   1.00 3.10  1   AD 1 
HETATM 3337 O O5  . LIG_AD AD 36 .   ? 7.906   -7.044  5.427   1.00 3.66  1   AD 1 
HETATM 3338 O O6  . LIG_AD AD 36 .   ? 8.974   -6.338  7.409   1.00 2.62  1   AD 1 
HETATM 3339 C C22 . LIG_AD AD 36 .   ? 9.017   -6.064  8.615   1.00 3.36  1   AD 1 
HETATM 3340 C C23 . LIG_AD AD 36 .   ? 9.940   -6.786  9.345   1.00 2.79  1   AD 1 
HETATM 3341 N N1  . LIG_AD AD 36 .   ? 10.177  -6.390  10.638  1.00 3.97  1   AD 1 
HETATM 3342 C C24 . LIG_AD AD 36 .   ? 10.580  -7.531  11.375  1.00 3.21  1   AD 1 
HETATM 3343 C C25 . LIG_AD AD 36 .   ? 11.194  -5.427  10.622  1.00 2.72  1   AD 1 
HETATM 3344 C C26 . LIG_AD AD 36 .   ? 9.007   -5.842  11.211  1.00 3.78  1   AD 1 
HETATM 3345 O O7  . LIG_AD AD 36 .   ? 9.205   -2.634  3.864   1.00 2.32  1   AD 1 
HETATM 3346 C C27 . LIG_AD AD 36 .   ? 8.795   -2.621  2.668   1.00 2.74  1   AD 1 
HETATM 3347 O O8  . LIG_AD AD 36 .   ? 7.783   -3.168  2.345   1.00 2.63  1   AD 1 
HETATM 3348 C C28 . LIG_AD AD 36 .   ? 9.527   -1.950  1.825   1.00 2.59  1   AD 1 
HETATM 3349 C C29 . LIG_AD AD 36 .   ? 9.419   -1.411  0.842   1.00 2.52  1   AD 1 
HETATM 3350 C C30 . LIG_AD AD 36 .   ? 9.696   -0.767  -0.043  1.00 2.38  1   AD 1 
HETATM 3351 C C31 . LIG_AD AD 36 .   ? 9.882   -0.158  -0.959  1.00 1.94  1   AD 1 
HETATM 3352 C C32 . LIG_AD AD 36 .   ? 10.203  0.436   -1.849  1.00 2.16  1   AD 1 
HETATM 3353 C C33 . LIG_AD AD 36 .   ? 10.532  1.001   -2.765  1.00 1.83  1   AD 1 
HETATM 3354 C C34 . LIG_AD AD 36 .   ? 10.912  1.531   -3.690  1.00 1.79  1   AD 1 
HETATM 3355 C C35 . LIG_AD AD 36 .   ? 11.310  2.012   -4.638  1.00 1.80  1   AD 1 
HETATM 3356 C C36 . LIG_AD AD 36 .   ? 11.767  2.465   -5.566  1.00 1.82  1   AD 1 
HETATM 3357 C C37 . LIG_AD AD 36 .   ? 12.266  2.898   -6.479  1.00 1.78  1   AD 1 
HETATM 3358 C C38 . LIG_AD AD 36 .   ? 12.807  3.332   -7.365  1.00 1.61  1   AD 1 
HETATM 3359 C C39 . LIG_AD AD 36 .   ? 13.372  3.807   -8.221  1.00 1.65  1   AD 1 
HETATM 3360 C C40 . LIG_AD AD 36 .   ? 13.944  4.320   -9.025  1.00 1.74  1   AD 1 
HETATM 3361 C C41 . LIG_AD AD 36 .   ? 14.524  4.855   -9.802  1.00 1.46  1   AD 1 
HETATM 3362 C C42 . LIG_AD AD 36 .   ? 15.072  5.380   -10.535 1.00 1.42  1   AD 1 
HETATM 3363 C C43 . LIG_AD AD 36 .   ? 15.565  5.867   -11.351 1.00 1.30  1   AD 1 
HETATM 3364 C C44 . LIG_AD AD 36 .   ? 16.063  6.350   -12.266 1.00 1.38  1   AD 1 
HETATM 3365 C C1  . LIG_BD BD 37 .   ? 10.736  11.121  -7.175  1.00 1.58  1   BD 1 
HETATM 3366 C C2  . LIG_BD BD 37 .   ? 11.601  11.448  -7.539  1.00 1.61  1   BD 1 
HETATM 3367 C C3  . LIG_BD BD 37 .   ? 12.147  12.147  -8.165  1.00 1.69  1   BD 1 
HETATM 3368 C C4  . LIG_BD BD 37 .   ? 12.394  12.923  -8.857  1.00 1.78  1   BD 1 
HETATM 3369 C C5  . LIG_BD BD 37 .   ? 12.542  13.734  -9.587  1.00 1.79  1   BD 1 
HETATM 3370 C C6  . LIG_BD BD 37 .   ? 12.546  14.549  -10.317 1.00 1.62  1   BD 1 
HETATM 3371 C C7  . LIG_BD BD 37 .   ? 12.459  15.319  -11.065 1.00 1.63  1   BD 1 
HETATM 3372 C C8  . LIG_BD BD 37 .   ? 12.328  16.040  -11.857 1.00 1.54  1   BD 1 
HETATM 3373 C C9  . LIG_BD BD 37 .   ? 12.171  16.725  -12.653 1.00 1.67  1   BD 1 
HETATM 3374 C C10 . LIG_BD BD 37 .   ? 12.029  17.431  -13.503 1.00 1.78  1   BD 1 
HETATM 3375 C C11 . LIG_BD BD 37 .   ? 11.938  18.087  -14.356 1.00 1.64  1   BD 1 
HETATM 3376 C C12 . LIG_BD BD 37 .   ? 11.890  18.764  -15.223 1.00 1.75  1   BD 1 
HETATM 3377 C C13 . LIG_BD BD 37 .   ? 11.889  19.416  -16.082 1.00 1.43  1   BD 1 
HETATM 3378 C C14 . LIG_BD BD 37 .   ? 11.934  20.151  -16.904 1.00 1.38  1   BD 1 
HETATM 3379 C C15 . LIG_BD BD 37 .   ? 11.979  20.832  -17.734 1.00 1.43  1   BD 1 
HETATM 3380 C C16 . LIG_BD BD 37 .   ? 12.126  21.659  -18.491 1.00 1.37  1   BD 1 
HETATM 3381 C C17 . LIG_BD BD 37 .   ? 12.157  22.301  -19.335 1.00 1.21  1   BD 1 
HETATM 3382 C C18 . LIG_BD BD 37 .   ? 12.488  23.402  -19.905 1.00 1.21  1   BD 1 
HETATM 3383 O O1  . LIG_BD BD 37 .   ? 13.601  23.658  -20.109 1.00 1.83  1   BD 1 
HETATM 3384 O O2  . LIG_BD BD 37 .   ? 11.560  24.111  -20.159 1.00 1.54  1   BD 1 
HETATM 3385 C C19 . LIG_BD BD 37 .   ? 11.839  25.337  -20.575 1.00 1.19  1   BD 1 
HETATM 3386 C C20 . LIG_BD BD 37 .   ? 10.766  26.205  -20.198 1.00 1.24  1   BD 1 
HETATM 3387 C C21 . LIG_BD BD 37 .   ? 10.788  27.518  -20.848 1.00 1.27  1   BD 1 
HETATM 3388 O O3  . LIG_BD BD 37 .   ? 11.967  27.860  -21.305 1.00 1.28  1   BD 1 
HETATM 3389 P P1  . LIG_BD BD 37 .   ? 12.101  29.255  -21.988 1.00 1.24  1   BD 1 
HETATM 3390 O O4  . LIG_BD BD 37 .   ? 11.317  29.248  -23.172 1.00 1.22  1   BD 1 
HETATM 3391 O O5  . LIG_BD BD 37 .   ? 11.875  30.249  -21.051 1.00 1.18  1   BD 1 
HETATM 3392 O O6  . LIG_BD BD 37 .   ? 13.577  29.193  -22.288 1.00 1.21  1   BD 1 
HETATM 3393 C C22 . LIG_BD BD 37 .   ? 14.067  29.410  -23.453 1.00 1.30  1   BD 1 
HETATM 3394 C C23 . LIG_BD BD 37 .   ? 15.377  29.162  -23.402 1.00 1.26  1   BD 1 
HETATM 3395 N N1  . LIG_BD BD 37 .   ? 15.719  28.618  -22.449 1.00 1.96  1   BD 1 
HETATM 3396 O O7  . LIG_BD BD 37 .   ? 10.834  26.434  -18.848 1.00 1.34  1   BD 1 
HETATM 3397 C C24 . LIG_BD BD 37 .   ? 9.731   26.407  -18.259 1.00 1.34  1   BD 1 
HETATM 3398 O O8  . LIG_BD BD 37 .   ? 8.706   26.433  -18.839 1.00 1.37  1   BD 1 
HETATM 3399 C C25 . LIG_BD BD 37 .   ? 9.770   26.262  -16.973 1.00 1.30  1   BD 1 
HETATM 3400 C C26 . LIG_BD BD 37 .   ? 9.632   25.390  -16.255 1.00 1.51  1   BD 1 
HETATM 3401 C C27 . LIG_BD BD 37 .   ? 9.580   24.776  -15.359 1.00 1.58  1   BD 1 
HETATM 3402 C C28 . LIG_BD BD 37 .   ? 9.558   23.951  -14.600 1.00 1.43  1   BD 1 
HETATM 3403 C C29 . LIG_BD BD 37 .   ? 9.547   23.203  -13.792 1.00 1.53  1   BD 1 
HETATM 3404 C C30 . LIG_BD BD 37 .   ? 9.567   22.405  -13.027 1.00 1.60  1   BD 1 
HETATM 3405 C C31 . LIG_BD BD 37 .   ? 9.577   21.622  -12.264 1.00 1.50  1   BD 1 
HETATM 3406 C C32 . LIG_BD BD 37 .   ? 9.553   20.798  -11.553 1.00 1.67  1   BD 1 
HETATM 3407 C C33 . LIG_BD BD 37 .   ? 9.470   19.952  -10.898 1.00 1.52  1   BD 1 
HETATM 3408 C C34 . LIG_BD BD 37 .   ? 9.355   19.057  -10.277 1.00 1.49  1   BD 1 
HETATM 3409 C C35 . LIG_BD BD 37 .   ? 9.227   18.140  -9.727  1.00 1.52  1   BD 1 
HETATM 3410 C C36 . LIG_BD BD 37 .   ? 9.099   17.157  -9.248  1.00 1.58  1   BD 1 
HETATM 3411 C C37 . LIG_BD BD 37 .   ? 8.974   16.156  -8.837  1.00 1.59  1   BD 1 
HETATM 3412 C C38 . LIG_BD BD 37 .   ? 8.853   15.138  -8.424  1.00 1.38  1   BD 1 
HETATM 3413 C C39 . LIG_BD BD 37 .   ? 8.730   14.141  -8.002  1.00 1.47  1   BD 1 
HETATM 3414 C C40 . LIG_BD BD 37 .   ? 8.640   13.177  -7.568  1.00 1.44  1   BD 1 
HETATM 3415 C C41 . LIG_BD BD 37 .   ? 8.506   12.240  -7.148  1.00 1.34  1   BD 1 
HETATM 3416 C C1  . LIG_DD DD 38 .   ? 21.100  12.106  -6.172  1.00 1.74  1   DD 1 
HETATM 3417 C C2  . LIG_DD DD 38 .   ? 21.332  10.981  -5.832  1.00 1.59  1   DD 1 
HETATM 3418 C C3  . LIG_DD DD 38 .   ? 21.533  10.060  -5.371  1.00 1.45  1   DD 1 
HETATM 3419 C C4  . LIG_DD DD 38 .   ? 21.806  9.041   -4.918  1.00 1.43  1   DD 1 
HETATM 3420 C C5  . LIG_DD DD 38 .   ? 22.037  8.396   -4.044  1.00 1.50  1   DD 1 
HETATM 3421 C C6  . LIG_DD DD 38 .   ? 22.310  7.753   -3.200  1.00 1.38  1   DD 1 
HETATM 3422 C C7  . LIG_DD DD 38 .   ? 22.450  7.231   -2.249  1.00 1.38  1   DD 1 
HETATM 3423 C C8  . LIG_DD DD 38 .   ? 22.541  6.742   -1.298  1.00 1.44  1   DD 1 
HETATM 3424 C C9  . LIG_DD DD 38 .   ? 22.201  6.225   -0.373  1.00 1.47  1   DD 1 
HETATM 3425 C C10 . LIG_DD DD 38 .   ? 21.624  5.826   0.421   1.00 1.53  1   DD 1 
HETATM 3426 C C11 . LIG_DD DD 38 .   ? 20.832  5.450   1.122   1.00 1.47  1   DD 1 
HETATM 3427 C C12 . LIG_DD DD 38 .   ? 19.821  5.574   1.654   1.00 1.58  1   DD 1 
HETATM 3428 C C13 . LIG_DD DD 38 .   ? 18.912  5.047   2.220   1.00 1.39  1   DD 1 
HETATM 3429 C C14 . LIG_DD DD 38 .   ? 18.735  4.299   3.119   1.00 1.40  1   DD 1 
HETATM 3430 C C15 . LIG_DD DD 38 .   ? 17.764  3.613   3.541   1.00 1.36  1   DD 1 
HETATM 3431 C C16 . LIG_DD DD 38 .   ? 17.907  2.580   4.322   1.00 1.43  1   DD 1 
HETATM 3432 C C17 . LIG_DD DD 38 .   ? 16.889  1.803   4.571   1.00 1.26  1   DD 1 
HETATM 3433 C C18 . LIG_DD DD 38 .   ? 17.161  0.602   5.193   1.00 1.27  1   DD 1 
HETATM 3434 O O1  . LIG_DD DD 38 .   ? 18.175  0.406   5.776   1.00 1.53  1   DD 1 
HETATM 3435 O O2  . LIG_DD DD 38 .   ? 16.256  -0.217  5.065   1.00 1.52  1   DD 1 
HETATM 3436 C C19 . LIG_DD DD 38 .   ? 16.462  -1.415  5.631   1.00 1.23  1   DD 1 
HETATM 3437 C C20 . LIG_DD DD 38 .   ? 15.348  -2.318  5.342   1.00 1.28  1   DD 1 
HETATM 3438 C C21 . LIG_DD DD 38 .   ? 15.550  -3.640  5.975   1.00 1.28  1   DD 1 
HETATM 3439 O O3  . LIG_DD DD 38 .   ? 15.364  -3.552  7.313   1.00 1.40  1   DD 1 
HETATM 3440 P P1  . LIG_DD DD 38 .   ? 15.476  -4.827  8.248   1.00 1.45  1   DD 1 
HETATM 3441 O O4  . LIG_DD DD 38 .   ? 14.132  -4.982  8.767   1.00 1.42  1   DD 1 
HETATM 3442 O O5  . LIG_DD DD 38 .   ? 16.424  -4.473  9.245   1.00 1.43  1   DD 1 
HETATM 3443 O O6  . LIG_DD DD 38 .   ? 15.881  -5.914  7.416   1.00 1.46  1   DD 1 
HETATM 3444 O O7  . LIG_DD DD 38 .   ? 15.316  -2.535  3.969   1.00 1.42  1   DD 1 
HETATM 3445 C C22 . LIG_DD DD 38 .   ? 14.240  -2.219  3.383   1.00 1.48  1   DD 1 
HETATM 3446 O O8  . LIG_DD DD 38 .   ? 13.306  -1.796  3.966   1.00 1.36  1   DD 1 
HETATM 3447 C C23 . LIG_DD DD 38 .   ? 14.308  -2.341  2.004   1.00 1.37  1   DD 1 
HETATM 3448 C C24 . LIG_DD DD 38 .   ? 14.034  -1.180  1.376   1.00 1.50  1   DD 1 
HETATM 3449 C C25 . LIG_DD DD 38 .   ? 14.481  -1.065  0.163   1.00 1.50  1   DD 1 
HETATM 3450 C C26 . LIG_DD DD 38 .   ? 14.235  0.015   -0.518  1.00 1.58  1   DD 1 
HETATM 3451 C C27 . LIG_DD DD 38 .   ? 14.799  0.226   -1.609  1.00 1.51  1   DD 1 
HETATM 3452 C C28 . LIG_DD DD 38 .   ? 14.765  1.069   -2.439  1.00 1.36  1   DD 1 
HETATM 3453 C C29 . LIG_DD DD 38 .   ? 15.385  1.408   -3.369  1.00 1.43  1   DD 1 
HETATM 3454 C C30 . LIG_DD DD 38 .   ? 15.835  1.983   -4.137  1.00 1.39  1   DD 1 
HETATM 3455 C C31 . LIG_DD DD 38 .   ? 16.551  2.355   -4.881  1.00 1.42  1   DD 1 
HETATM 3456 C C32 . LIG_DD DD 38 .   ? 17.501  2.725   -5.263  1.00 1.57  1   DD 1 
HETATM 3457 C C33 . LIG_DD DD 38 .   ? 18.341  3.029   -5.827  1.00 1.41  1   DD 1 
HETATM 3458 C C34 . LIG_DD DD 38 .   ? 19.387  3.311   -6.201  1.00 1.42  1   DD 1 
HETATM 3459 C C35 . LIG_DD DD 38 .   ? 19.913  3.172   -7.253  1.00 1.49  1   DD 1 
HETATM 3460 C C36 . LIG_DD DD 38 .   ? 20.913  3.261   -7.804  1.00 1.62  1   DD 1 
HETATM 3461 C C37 . LIG_DD DD 38 .   ? 21.656  3.241   -8.628  1.00 1.62  1   DD 1 
HETATM 3462 C C38 . LIG_DD DD 38 .   ? 22.565  3.406   -9.226  1.00 1.49  1   DD 1 
HETATM 3463 C C39 . LIG_DD DD 38 .   ? 23.394  3.515   -10.094 1.00 1.60  1   DD 1 
HETATM 3464 C C1  . LIG_AE AE 39 .   ? 25.161  15.198  -6.787  1.00 1.86  1   AE 1 
HETATM 3465 C C2  . LIG_AE AE 39 .   ? 25.042  14.863  -7.639  1.00 1.84  1   AE 1 
HETATM 3466 C C3  . LIG_AE AE 39 .   ? 25.027  13.845  -7.938  1.00 1.73  1   AE 1 
HETATM 3467 C C4  . LIG_AE AE 39 .   ? 25.122  12.812  -7.685  1.00 1.93  1   AE 1 
HETATM 3468 C C5  . LIG_AE AE 39 .   ? 25.226  11.799  -7.310  1.00 1.74  1   AE 1 
HETATM 3469 C C6  . LIG_AE AE 39 .   ? 25.385  10.846  -6.779  1.00 1.50  1   AE 1 
HETATM 3470 C C7  . LIG_AE AE 39 .   ? 25.564  9.956   -6.190  1.00 1.56  1   AE 1 
HETATM 3471 C C8  . LIG_AE AE 39 .   ? 25.750  9.103   -5.528  1.00 1.48  1   AE 1 
HETATM 3472 C C9  . LIG_AE AE 39 .   ? 25.921  8.275   -4.851  1.00 1.60  1   AE 1 
HETATM 3473 C C10 . LIG_AE AE 39 .   ? 26.051  7.425   -4.135  1.00 1.74  1   AE 1 
HETATM 3474 C C11 . LIG_AE AE 39 .   ? 26.137  6.615   -3.403  1.00 1.62  1   AE 1 
HETATM 3475 C C12 . LIG_AE AE 39 .   ? 26.143  5.796   -2.641  1.00 1.78  1   AE 1 
HETATM 3476 C C13 . LIG_AE AE 39 .   ? 26.108  5.012   -1.876  1.00 1.38  1   AE 1 
HETATM 3477 C C14 . LIG_AE AE 39 .   ? 25.985  4.228   -1.082  1.00 1.39  1   AE 1 
HETATM 3478 C C15 . LIG_AE AE 39 .   ? 25.911  3.495   -0.296  1.00 1.36  1   AE 1 
HETATM 3479 C C16 . LIG_AE AE 39 .   ? 25.648  2.699   0.476   1.00 1.35  1   AE 1 
HETATM 3480 C C17 . LIG_AE AE 39 .   ? 25.721  2.013   1.292   1.00 1.21  1   AE 1 
HETATM 3481 C C18 . LIG_AE AE 39 .   ? 25.120  1.148   2.014   1.00 1.25  1   AE 1 
HETATM 3482 O O1  . LIG_AE AE 39 .   ? 24.033  0.777   1.735   1.00 1.85  1   AE 1 
HETATM 3483 O O2  . LIG_AE AE 39 .   ? 25.746  0.767   2.970   1.00 1.60  1   AE 1 
HETATM 3484 C C19 . LIG_AE AE 39 .   ? 25.138  -0.072  3.778   1.00 1.19  1   AE 1 
HETATM 3485 C C20 . LIG_AE AE 39 .   ? 25.426  0.263   5.165   1.00 1.24  1   AE 1 
HETATM 3486 C C21 . LIG_AE AE 39 .   ? 25.177  -0.859  6.067   1.00 1.23  1   AE 1 
HETATM 3487 O O3  . LIG_AE AE 39 .   ? 26.109  -1.765  5.860   1.00 1.30  1   AE 1 
HETATM 3488 P P1  . LIG_AE AE 39 .   ? 26.721  -2.582  7.003   1.00 1.23  1   AE 1 
HETATM 3489 O O4  . LIG_AE AE 39 .   ? 27.806  -3.314  6.454   1.00 1.21  1   AE 1 
HETATM 3490 O O5  . LIG_AE AE 39 .   ? 26.909  -1.848  8.173   1.00 1.19  1   AE 1 
HETATM 3491 O O6  . LIG_AE AE 39 .   ? 25.531  -3.549  7.287   1.00 1.27  1   AE 1 
HETATM 3492 C C22 . LIG_AE AE 39 .   ? 25.312  -4.558  6.601   1.00 1.30  1   AE 1 
HETATM 3493 C C23 . LIG_AE AE 39 .   ? 24.309  -5.350  7.127   1.00 1.28  1   AE 1 
HETATM 3494 N N1  . LIG_AE AE 39 .   ? 23.842  -6.355  6.348   1.00 1.92  1   AE 1 
HETATM 3495 C C24 . LIG_AE AE 39 .   ? 23.307  -5.807  5.173   1.00 1.35  1   AE 1 
HETATM 3496 C C25 . LIG_AE AE 39 .   ? 22.876  -7.031  7.104   1.00 1.34  1   AE 1 
HETATM 3497 C C26 . LIG_AE AE 39 .   ? 24.891  -7.248  6.036   1.00 1.36  1   AE 1 
HETATM 3498 O O7  . LIG_AE AE 39 .   ? 24.566  1.283   5.543   1.00 1.37  1   AE 1 
HETATM 3499 C C27 . LIG_AE AE 39 .   ? 25.122  2.270   6.079   1.00 1.35  1   AE 1 
HETATM 3500 O O8  . LIG_AE AE 39 .   ? 26.241  2.217   6.472   1.00 1.44  1   AE 1 
HETATM 3501 C C28 . LIG_AE AE 39 .   ? 24.438  3.377   6.083   1.00 1.32  1   AE 1 
HETATM 3502 C C29 . LIG_AE AE 39 .   ? 24.644  4.330   5.419   1.00 1.44  1   AE 1 
HETATM 3503 C C30 . LIG_AE AE 39 .   ? 24.926  5.087   4.692   1.00 1.51  1   AE 1 
HETATM 3504 C C31 . LIG_AE AE 39 .   ? 25.200  5.897   3.927   1.00 1.46  1   AE 1 
HETATM 3505 C C32 . LIG_AE AE 39 .   ? 25.438  6.659   3.185   1.00 1.66  1   AE 1 
HETATM 3506 C C33 . LIG_AE AE 39 .   ? 25.666  7.463   2.424   1.00 1.50  1   AE 1 
HETATM 3507 C C34 . LIG_AE AE 39 .   ? 25.857  8.270   1.679   1.00 1.49  1   AE 1 
HETATM 3508 C C35 . LIG_AE AE 39 .   ? 25.988  9.116   0.927   1.00 1.50  1   AE 1 
HETATM 3509 C C36 . LIG_AE AE 39 .   ? 26.051  9.956   0.163   1.00 1.52  1   AE 1 
HETATM 3510 C C37 . LIG_AE AE 39 .   ? 26.055  10.816  -0.606  1.00 1.55  1   AE 1 
HETATM 3511 C C38 . LIG_AE AE 39 .   ? 25.991  11.666  -1.388  1.00 1.40  1   AE 1 
HETATM 3512 C C39 . LIG_AE AE 39 .   ? 25.886  12.509  -2.196  1.00 1.47  1   AE 1 
HETATM 3513 C C40 . LIG_AE AE 39 .   ? 25.739  13.346  -2.990  1.00 1.65  1   AE 1 
HETATM 3514 C C41 . LIG_AE AE 39 .   ? 25.569  14.172  -3.780  1.00 1.40  1   AE 1 
HETATM 3515 C C42 . LIG_AE AE 39 .   ? 25.395  14.984  -4.511  1.00 1.41  1   AE 1 
HETATM 3516 C C43 . LIG_AE AE 39 .   ? 25.203  15.822  -5.182  1.00 1.32  1   AE 1 
HETATM 3517 C C44 . LIG_AE AE 39 .   ? 24.975  16.879  -5.816  1.00 1.37  1   AE 1 
HETATM 3518 C C1  . LIG_BE BE 40 .   ? 3.610   0.037   -18.697 1.00 1.68  1   BE 1 
HETATM 3519 C C2  . LIG_BE BE 40 .   ? 3.046   0.359   -19.508 1.00 1.80  1   BE 1 
HETATM 3520 C C3  . LIG_BE BE 40 .   ? 2.824   0.813   -20.478 1.00 1.97  1   BE 1 
HETATM 3521 C C4  . LIG_BE BE 40 .   ? 2.708   1.326   -21.437 1.00 2.18  1   BE 1 
HETATM 3522 C C5  . LIG_BE BE 40 .   ? 2.650   1.892   -22.401 1.00 1.94  1   BE 1 
HETATM 3523 C C6  . LIG_BE BE 40 .   ? 2.644   2.450   -23.367 1.00 1.65  1   BE 1 
HETATM 3524 C C7  . LIG_BE BE 40 .   ? 2.651   2.976   -24.328 1.00 1.72  1   BE 1 
HETATM 3525 C C8  . LIG_BE BE 40 .   ? 2.653   3.492   -25.282 1.00 1.59  1   BE 1 
HETATM 3526 C C9  . LIG_BE BE 40 .   ? 2.646   4.000   -26.220 1.00 1.72  1   BE 1 
HETATM 3527 C C10 . LIG_BE BE 40 .   ? 2.589   4.520   -27.196 1.00 1.79  1   BE 1 
HETATM 3528 C C11 . LIG_BE BE 40 .   ? 2.492   5.036   -28.148 1.00 1.64  1   BE 1 
HETATM 3529 C C12 . LIG_BE BE 40 .   ? 2.369   5.550   -29.101 1.00 1.77  1   BE 1 
HETATM 3530 C C13 . LIG_BE BE 40 .   ? 2.182   6.046   -30.049 1.00 1.41  1   BE 1 
HETATM 3531 C C14 . LIG_BE BE 40 .   ? 2.008   6.531   -30.998 1.00 1.38  1   BE 1 
HETATM 3532 C C15 . LIG_BE BE 40 .   ? 1.780   6.983   -31.978 1.00 1.40  1   BE 1 
HETATM 3533 C C16 . LIG_BE BE 40 .   ? 1.596   7.436   -32.959 1.00 1.38  1   BE 1 
HETATM 3534 C C17 . LIG_BE BE 40 .   ? 1.504   7.760   -34.038 1.00 1.21  1   BE 1 
HETATM 3535 C C18 . LIG_BE BE 40 .   ? 2.313   7.952   -35.007 1.00 1.21  1   BE 1 
HETATM 3536 O O1  . LIG_BE BE 40 .   ? 2.133   7.461   -36.052 1.00 1.62  1   BE 1 
HETATM 3537 O O2  . LIG_BE BE 40 .   ? 3.294   8.609   -34.678 1.00 1.49  1   BE 1 
HETATM 3538 C C19 . LIG_BE BE 40 .   ? 4.235   8.754   -35.575 1.00 1.19  1   BE 1 
HETATM 3539 C C20 . LIG_BE BE 40 .   ? 5.355   9.455   -34.962 1.00 1.21  1   BE 1 
HETATM 3540 C C21 . LIG_BE BE 40 .   ? 6.222   9.995   -36.018 1.00 1.25  1   BE 1 
HETATM 3541 O O3  . LIG_BE BE 40 .   ? 6.730   9.014   -36.776 1.00 1.28  1   BE 1 
HETATM 3542 P P1  . LIG_BE BE 40 .   ? 7.710   9.376   -37.921 1.00 1.28  1   BE 1 
HETATM 3543 O O4  . LIG_BE BE 40 .   ? 7.248   10.591  -38.548 1.00 1.21  1   BE 1 
HETATM 3544 O O5  . LIG_BE BE 40 .   ? 7.925   8.251   -38.701 1.00 1.18  1   BE 1 
HETATM 3545 O O6  . LIG_BE BE 40 .   ? 8.963   9.731   -37.075 1.00 1.23  1   BE 1 
HETATM 3546 C C22 . LIG_BE BE 40 .   ? 9.994   9.000   -37.044 1.00 1.32  1   BE 1 
HETATM 3547 C C23 . LIG_BE BE 40 .   ? 10.872  9.386   -36.115 1.00 1.26  1   BE 1 
HETATM 3548 N N1  . LIG_BE BE 40 .   ? 10.603  9.286   -35.049 1.00 2.17  1   BE 1 
HETATM 3549 O O7  . LIG_BE BE 40 .   ? 6.040   8.572   -34.187 1.00 1.33  1   BE 1 
HETATM 3550 C C24 . LIG_BE BE 40 .   ? 6.479   9.054   -33.138 1.00 1.28  1   BE 1 
HETATM 3551 O O8  . LIG_BE BE 40 .   ? 6.594   10.215  -32.960 1.00 1.37  1   BE 1 
HETATM 3552 C C25 . LIG_BE BE 40 .   ? 6.761   8.207   -32.228 1.00 1.27  1   BE 1 
HETATM 3553 C C26 . LIG_BE BE 40 .   ? 6.694   8.139   -31.118 1.00 1.45  1   BE 1 
HETATM 3554 C C27 . LIG_BE BE 40 .   ? 6.745   7.691   -30.144 1.00 1.55  1   BE 1 
HETATM 3555 C C28 . LIG_BE BE 40 .   ? 6.717   7.362   -29.124 1.00 1.37  1   BE 1 
HETATM 3556 C C29 . LIG_BE BE 40 .   ? 6.732   6.937   -28.117 1.00 1.45  1   BE 1 
HETATM 3557 C C30 . LIG_BE BE 40 .   ? 6.756   6.513   -27.123 1.00 1.53  1   BE 1 
HETATM 3558 C C31 . LIG_BE BE 40 .   ? 6.793   6.034   -26.144 1.00 1.46  1   BE 1 
HETATM 3559 C C32 . LIG_BE BE 40 .   ? 6.832   5.545   -25.201 1.00 1.62  1   BE 1 
HETATM 3560 C C33 . LIG_BE BE 40 .   ? 6.866   5.024   -24.258 1.00 1.56  1   BE 1 
HETATM 3561 C C34 . LIG_BE BE 40 .   ? 6.888   4.471   -23.323 1.00 1.49  1   BE 1 
HETATM 3562 C C35 . LIG_BE BE 40 .   ? 6.906   3.901   -22.399 1.00 1.62  1   BE 1 
HETATM 3563 C C36 . LIG_BE BE 40 .   ? 6.920   3.270   -21.509 1.00 1.70  1   BE 1 
HETATM 3564 C C37 . LIG_BE BE 40 .   ? 6.933   2.565   -20.679 1.00 1.76  1   BE 1 
HETATM 3565 C C38 . LIG_BE BE 40 .   ? 6.918   1.816   -19.879 1.00 1.48  1   BE 1 
HETATM 3566 C C39 . LIG_BE BE 40 .   ? 6.846   1.063   -19.102 1.00 1.60  1   BE 1 
HETATM 3567 C C40 . LIG_BE BE 40 .   ? 6.649   0.349   -18.387 1.00 1.49  1   BE 1 
HETATM 3568 C C41 . LIG_BE BE 40 .   ? 6.327   -0.345  -17.719 1.00 1.35  1   BE 1 
HETATM 3569 C C1  . LIG_DE DE 41 .   ? 26.458  20.720  -4.700  1.00 1.32  1   DE 1 
HETATM 3570 C C2  . LIG_DE DE 41 .   ? 25.188  20.567  -4.324  1.00 1.28  1   DE 1 
HETATM 3571 C C3  . LIG_DE DE 41 .   ? 24.836  20.028  -3.251  1.00 1.26  1   DE 1 
HETATM 3572 C C4  . LIG_DE DE 41 .   ? 23.689  19.654  -2.827  1.00 1.27  1   DE 1 
HETATM 3573 C C5  . LIG_DE DE 41 .   ? 23.429  19.020  -1.796  1.00 1.29  1   DE 1 
HETATM 3574 C C6  . LIG_DE DE 41 .   ? 22.599  18.418  -1.251  1.00 1.27  1   DE 1 
HETATM 3575 C C7  . LIG_DE DE 41 .   ? 22.470  17.843  -0.190  1.00 1.24  1   DE 1 
HETATM 3576 C C8  . LIG_DE DE 41 .   ? 23.178  17.096  0.344   1.00 1.29  1   DE 1 
HETATM 3577 C C9  . LIG_DE DE 41 .   ? 23.577  16.449  1.148   1.00 1.28  1   DE 1 
HETATM 3578 C C10 . LIG_DE DE 41 .   ? 24.019  15.716  1.835   1.00 1.39  1   DE 1 
HETATM 3579 C C11 . LIG_DE DE 41 .   ? 24.312  15.211  2.778   1.00 1.38  1   DE 1 
HETATM 3580 C C12 . LIG_DE DE 41 .   ? 24.305  14.147  3.375   1.00 1.48  1   DE 1 
HETATM 3581 C C13 . LIG_DE DE 41 .   ? 23.891  13.882  4.469   1.00 1.32  1   DE 1 
HETATM 3582 C C14 . LIG_DE DE 41 .   ? 23.490  12.926  5.039   1.00 1.31  1   DE 1 
HETATM 3583 C C15 . LIG_DE DE 41 .   ? 22.856  12.712  6.031   1.00 1.34  1   DE 1 
HETATM 3584 C C16 . LIG_DE DE 41 .   ? 22.478  11.630  6.513   1.00 1.34  1   DE 1 
HETATM 3585 C C17 . LIG_DE DE 41 .   ? 21.927  11.524  7.657   1.00 1.19  1   DE 1 
HETATM 3586 C C18 . LIG_DE DE 41 .   ? 21.947  10.266  8.173   1.00 1.21  1   DE 1 
HETATM 3587 O O1  . LIG_DE DE 41 .   ? 22.406  9.348   7.598   1.00 1.42  1   DE 1 
HETATM 3588 O O2  . LIG_DE DE 41 .   ? 21.445  10.183  9.265   1.00 1.38  1   DE 1 
HETATM 3589 C C19 . LIG_DE DE 41 .   ? 21.485  8.965   9.787   1.00 1.16  1   DE 1 
HETATM 3590 C C20 . LIG_DE DE 41 .   ? 21.635  9.043   11.233  1.00 1.15  1   DE 1 
HETATM 3591 C C21 . LIG_DE DE 41 .   ? 21.503  7.707   11.860  1.00 1.13  1   DE 1 
HETATM 3592 O O3  . LIG_DE DE 41 .   ? 22.327  6.837   11.243  1.00 1.23  1   DE 1 
HETATM 3593 P P1  . LIG_DE DE 41 .   ? 23.309  5.885   12.039  1.00 1.18  1   DE 1 
HETATM 3594 O O4  . LIG_DE DE 41 .   ? 22.625  4.593   11.990  1.00 1.16  1   DE 1 
HETATM 3595 O O5  . LIG_DE DE 41 .   ? 23.431  6.411   13.362  1.00 1.18  1   DE 1 
HETATM 3596 O O6  . LIG_DE DE 41 .   ? 24.501  5.892   11.258  1.00 1.23  1   DE 1 
HETATM 3597 O O7  . LIG_DE DE 41 .   ? 20.600  9.863   11.705  1.00 1.25  1   DE 1 
HETATM 3598 C C22 . LIG_DE DE 41 .   ? 20.921  10.633  12.674  1.00 1.21  1   DE 1 
HETATM 3599 O O8  . LIG_DE DE 41 .   ? 21.789  10.356  13.437  1.00 1.20  1   DE 1 
HETATM 3600 C C23 . LIG_DE DE 41 .   ? 20.180  11.822  12.779  1.00 1.19  1   DE 1 
HETATM 3601 C C24 . LIG_DE DE 41 .   ? 20.917  12.972  12.738  1.00 1.31  1   DE 1 
HETATM 3602 C C25 . LIG_DE DE 41 .   ? 21.490  13.272  11.559  1.00 1.40  1   DE 1 
HETATM 3603 C C26 . LIG_DE DE 41 .   ? 21.560  14.510  11.145  1.00 1.47  1   DE 1 
HETATM 3604 C C27 . LIG_DE DE 41 .   ? 22.235  14.813  10.068  1.00 1.46  1   DE 1 
HETATM 3605 C C28 . LIG_DE DE 41 .   ? 22.301  15.931  9.539   1.00 1.26  1   DE 1 
HETATM 3606 C C29 . LIG_DE DE 41 .   ? 22.939  16.306  8.567   1.00 1.28  1   DE 1 
HETATM 3607 C C30 . LIG_DE DE 41 .   ? 23.030  17.242  7.877   1.00 1.34  1   DE 1 
HETATM 3608 C C31 . LIG_DE DE 41 .   ? 23.363  17.779  6.927   1.00 1.30  1   DE 1 
HETATM 3609 C C32 . LIG_DE DE 41 .   ? 23.293  18.626  6.187   1.00 1.37  1   DE 1 
HETATM 3610 C C33 . LIG_DE DE 41 .   ? 23.491  19.147  5.197   1.00 1.28  1   DE 1 
HETATM 3611 C C34 . LIG_DE DE 41 .   ? 23.218  20.050  4.490   1.00 1.29  1   DE 1 
HETATM 3612 C C35 . LIG_DE DE 41 .   ? 23.455  20.476  3.404   1.00 1.30  1   DE 1 
HETATM 3613 C C36 . LIG_DE DE 41 .   ? 23.072  21.486  2.769   1.00 1.37  1   DE 1 
HETATM 3614 C C37 . LIG_DE DE 41 .   ? 23.456  21.886  1.642   1.00 1.38  1   DE 1 
HETATM 3615 C C38 . LIG_DE DE 41 .   ? 23.111  22.868  0.955   1.00 1.26  1   DE 1 
HETATM 3616 C C39 . LIG_DE DE 41 .   ? 23.580  23.165  -0.238  1.00 1.26  1   DE 1 
HETATM 3617 C C1  . LIG_AF AF 42 .   ? -0.531  15.383  -12.721 1.00 1.86  1   AF 1 
HETATM 3618 C C2  . LIG_AF AF 42 .   ? -1.376  15.821  -13.052 1.00 1.82  1   AF 1 
HETATM 3619 C C3  . LIG_AF AF 42 .   ? -2.474  15.712  -12.861 1.00 1.70  1   AF 1 
HETATM 3620 C C4  . LIG_AF AF 42 .   ? -3.248  15.131  -12.363 1.00 1.93  1   AF 1 
HETATM 3621 C C5  . LIG_AF AF 42 .   ? -3.926  14.472  -11.796 1.00 1.81  1   AF 1 
HETATM 3622 C C6  . LIG_AF AF 42 .   ? -4.499  13.750  -11.188 1.00 1.57  1   AF 1 
HETATM 3623 C C7  . LIG_AF AF 42 .   ? -5.045  13.001  -10.606 1.00 1.63  1   AF 1 
HETATM 3624 C C8  . LIG_AF AF 42 .   ? -5.617  12.242  -10.057 1.00 1.62  1   AF 1 
HETATM 3625 C C9  . LIG_AF AF 42 .   ? -6.249  11.529  -9.534  1.00 1.78  1   AF 1 
HETATM 3626 C C10 . LIG_AF AF 42 .   ? -6.959  10.823  -9.019  1.00 2.00  1   AF 1 
HETATM 3627 C C11 . LIG_AF AF 42 .   ? -7.712  10.180  -8.531  1.00 1.90  1   AF 1 
HETATM 3628 C C12 . LIG_AF AF 42 .   ? -8.496  9.547   -8.021  1.00 2.07  1   AF 1 
HETATM 3629 C C13 . LIG_AF AF 42 .   ? -9.329  9.006   -7.539  1.00 1.55  1   AF 1 
HETATM 3630 C C14 . LIG_AF AF 42 .   ? -10.118 8.417   -6.978  1.00 1.55  1   AF 1 
HETATM 3631 C C15 . LIG_AF AF 42 .   ? -10.998 8.001   -6.460  1.00 1.58  1   AF 1 
HETATM 3632 C C16 . LIG_AF AF 42 .   ? -11.703 7.403   -5.752  1.00 1.64  1   AF 1 
HETATM 3633 C C17 . LIG_AF AF 42 .   ? -12.647 7.144   -5.192  1.00 1.36  1   AF 1 
HETATM 3634 C C18 . LIG_AF AF 42 .   ? -13.044 6.322   -4.265  1.00 1.47  1   AF 1 
HETATM 3635 O O1  . LIG_AF AF 42 .   ? -14.137 6.314   -3.842  1.00 2.07  1   AF 1 
HETATM 3636 O O2  . LIG_AF AF 42 .   ? -12.129 5.576   -3.920  1.00 1.90  1   AF 1 
HETATM 3637 C C19 . LIG_AF AF 42 .   ? -12.364 4.694   -2.960  1.00 1.38  1   AF 1 
HETATM 3638 C C20 . LIG_AF AF 42 .   ? -11.162 3.924   -2.697  1.00 1.73  1   AF 1 
HETATM 3639 C C21 . LIG_AF AF 42 .   ? -11.365 3.016   -1.575  1.00 1.64  1   AF 1 
HETATM 3640 O O3  . LIG_AF AF 42 .   ? -11.967 1.933   -2.036  1.00 2.00  1   AF 1 
HETATM 3641 P P1  . LIG_AF AF 42 .   ? -12.093 0.678   -1.175  1.00 1.96  1   AF 1 
HETATM 3642 O O4  . LIG_AF AF 42 .   ? -12.611 -0.355  -2.007  1.00 1.93  1   AF 1 
HETATM 3643 O O5  . LIG_AF AF 42 .   ? -10.931 0.440   -0.439  1.00 2.32  1   AF 1 
HETATM 3644 O O6  . LIG_AF AF 42 .   ? -13.202 1.162   -0.190  1.00 1.71  1   AF 1 
HETATM 3645 C C22 . LIG_AF AF 42 .   ? -13.999 0.348   0.410   1.00 2.22  1   AF 1 
HETATM 3646 C C23 . LIG_AF AF 42 .   ? -15.108 0.962   0.981   1.00 2.04  1   AF 1 
HETATM 3647 N N1  . LIG_AF AF 42 .   ? -14.897 2.032   1.850   1.00 3.26  1   AF 1 
HETATM 3648 C C24 . LIG_AF AF 42 .   ? -14.785 3.221   1.088   1.00 2.13  1   AF 1 
HETATM 3649 C C25 . LIG_AF AF 42 .   ? -13.712 1.813   2.596   1.00 2.19  1   AF 1 
HETATM 3650 C C26 . LIG_AF AF 42 .   ? -15.975 2.128   2.706   1.00 2.33  1   AF 1 
HETATM 3651 O O7  . LIG_AF AF 42 .   ? -10.147 4.788   -2.360  1.00 1.76  1   AF 1 
HETATM 3652 C C27 . LIG_AF AF 42 .   ? -9.210  4.844   -3.197  1.00 1.86  1   AF 1 
HETATM 3653 O O8  . LIG_AF AF 42 .   ? -9.149  4.086   -4.118  1.00 1.77  1   AF 1 
HETATM 3654 C C28 . LIG_AF AF 42 .   ? -8.350  5.796   -3.026  1.00 1.60  1   AF 1 
HETATM 3655 C C29 . LIG_AF AF 42 .   ? -7.645  6.402   -3.658  1.00 1.79  1   AF 1 
HETATM 3656 C C30 . LIG_AF AF 42 .   ? -6.898  7.155   -3.994  1.00 1.76  1   AF 1 
HETATM 3657 C C31 . LIG_AF AF 42 .   ? -6.163  7.819   -4.502  1.00 1.65  1   AF 1 
HETATM 3658 C C32 . LIG_AF AF 42 .   ? -5.420  8.478   -4.977  1.00 1.81  1   AF 1 
HETATM 3659 C C33 . LIG_AF AF 42 .   ? -4.667  9.108   -5.513  1.00 1.66  1   AF 1 
HETATM 3660 C C34 . LIG_AF AF 42 .   ? -3.901  9.735   -6.064  1.00 1.62  1   AF 1 
HETATM 3661 C C35 . LIG_AF AF 42 .   ? -3.156  10.351  -6.644  1.00 1.59  1   AF 1 
HETATM 3662 C C36 . LIG_AF AF 42 .   ? -2.440  10.951  -7.277  1.00 1.66  1   AF 1 
HETATM 3663 C C37 . LIG_AF AF 42 .   ? -1.767  11.537  -7.975  1.00 1.65  1   AF 1 
HETATM 3664 C C38 . LIG_AF AF 42 .   ? -1.143  12.121  -8.716  1.00 1.50  1   AF 1 
HETATM 3665 C C39 . LIG_AF AF 42 .   ? -0.559  12.725  -9.486  1.00 1.55  1   AF 1 
HETATM 3666 C C40 . LIG_AF AF 42 .   ? -0.012  13.320  -10.259 1.00 1.68  1   AF 1 
HETATM 3667 C C41 . LIG_AF AF 42 .   ? 0.521   13.887  -11.044 1.00 1.39  1   AF 1 
HETATM 3668 C C42 . LIG_AF AF 42 .   ? 1.065   14.402  -11.794 1.00 1.40  1   AF 1 
HETATM 3669 C C43 . LIG_AF AF 42 .   ? 1.679   14.856  -12.527 1.00 1.28  1   AF 1 
HETATM 3670 C C44 . LIG_AF AF 42 .   ? 2.450   15.276  -13.298 1.00 1.36  1   AF 1 
HETATM 3671 C C1  . LIG_BF BF 43 .   ? 24.677  9.074   -13.650 1.00 1.50  1   BF 1 
HETATM 3672 C C2  . LIG_BF BF 43 .   ? 24.528  8.729   -12.495 1.00 1.49  1   BF 1 
HETATM 3673 C C3  . LIG_BF BF 43 .   ? 24.687  8.298   -11.484 1.00 1.45  1   BF 1 
HETATM 3674 C C4  . LIG_BF BF 43 .   ? 24.607  7.876   -10.405 1.00 1.34  1   BF 1 
HETATM 3675 C C5  . LIG_BF BF 43 .   ? 24.862  7.270   -9.485  1.00 1.34  1   BF 1 
HETATM 3676 C C6  . LIG_BF BF 43 .   ? 24.728  6.628   -8.537  1.00 1.29  1   BF 1 
HETATM 3677 C C7  . LIG_BF BF 43 .   ? 24.941  5.864   -7.746  1.00 1.24  1   BF 1 
HETATM 3678 C C8  . LIG_BF BF 43 .   ? 24.728  5.102   -6.955  1.00 1.27  1   BF 1 
HETATM 3679 C C9  . LIG_BF BF 43 .   ? 24.665  4.310   -6.209  1.00 1.28  1   BF 1 
HETATM 3680 C C10 . LIG_BF BF 43 .   ? 24.287  3.507   -5.484  1.00 1.38  1   BF 1 
HETATM 3681 C C11 . LIG_BF BF 43 .   ? 24.064  2.748   -4.743  1.00 1.34  1   BF 1 
HETATM 3682 C C12 . LIG_BF BF 43 .   ? 23.464  1.926   -4.106  1.00 1.50  1   BF 1 
HETATM 3683 C C13 . LIG_BF BF 43 .   ? 23.527  1.157   -3.239  1.00 1.31  1   BF 1 
HETATM 3684 C C14 . LIG_BF BF 43 .   ? 22.981  0.211   -2.675  1.00 1.34  1   BF 1 
HETATM 3685 C C15 . LIG_BF BF 43 .   ? 23.298  -0.580  -1.832  1.00 1.33  1   BF 1 
HETATM 3686 C C16 . LIG_BF BF 43 .   ? 22.825  -1.621  -1.303  1.00 1.38  1   BF 1 
HETATM 3687 C C17 . LIG_BF BF 43 .   ? 23.436  -2.336  -0.356  1.00 1.18  1   BF 1 
HETATM 3688 C C18 . LIG_BF BF 43 .   ? 22.802  -3.513  0.007   1.00 1.22  1   BF 1 
HETATM 3689 O O1  . LIG_BF BF 43 .   ? 23.139  -4.543  -0.482  1.00 1.49  1   BF 1 
HETATM 3690 O O2  . LIG_BF BF 43 .   ? 21.900  -3.404  0.835   1.00 1.40  1   BF 1 
HETATM 3691 C C19 . LIG_BF BF 43 .   ? 21.294  -4.533  1.248   1.00 1.19  1   BF 1 
HETATM 3692 C C20 . LIG_BF BF 43 .   ? 20.221  -4.201  2.198   1.00 1.25  1   BF 1 
HETATM 3693 C C21 . LIG_BF BF 43 .   ? 19.516  -5.402  2.679   1.00 1.24  1   BF 1 
HETATM 3694 O O3  . LIG_BF BF 43 .   ? 20.282  -6.064  3.556   1.00 1.26  1   BF 1 
HETATM 3695 P P1  . LIG_BF BF 43 .   ? 19.740  -7.265  4.367   1.00 1.30  1   BF 1 
HETATM 3696 O O4  . LIG_BF BF 43 .   ? 18.464  -7.676  3.859   1.00 1.17  1   BF 1 
HETATM 3697 O O5  . LIG_BF BF 43 .   ? 20.751  -8.229  4.509   1.00 1.17  1   BF 1 
HETATM 3698 O O6  . LIG_BF BF 43 .   ? 19.509  -6.546  5.736   1.00 1.22  1   BF 1 
HETATM 3699 C C22 . LIG_BF BF 43 .   ? 19.245  -7.183  6.796   1.00 1.22  1   BF 1 
HETATM 3700 C C23 . LIG_BF BF 43 .   ? 19.067  -6.330  7.891   1.00 1.19  1   BF 1 
HETATM 3701 N N1  . LIG_BF BF 43 .   ? 18.780  -6.930  9.000   1.00 1.81  1   BF 1 
HETATM 3702 O O7  . LIG_BF BF 43 .   ? 19.276  -3.443  1.522   1.00 1.29  1   BF 1 
HETATM 3703 C C24 . LIG_BF BF 43 .   ? 19.142  -2.268  1.945   1.00 1.26  1   BF 1 
HETATM 3704 O O8  . LIG_BF BF 43 .   ? 19.577  -1.920  2.996   1.00 1.24  1   BF 1 
HETATM 3705 C C25 . LIG_BF BF 43 .   ? 18.500  -1.458  1.048   1.00 1.25  1   BF 1 
HETATM 3706 C C26 . LIG_BF BF 43 .   ? 19.102  -0.291  0.858   1.00 1.37  1   BF 1 
HETATM 3707 C C27 . LIG_BF BF 43 .   ? 18.732  0.434   -0.125  1.00 1.39  1   BF 1 
HETATM 3708 C C28 . LIG_BF BF 43 .   ? 19.239  1.542   -0.395  1.00 1.24  1   BF 1 
HETATM 3709 C C29 . LIG_BF BF 43 .   ? 18.955  2.358   -1.211  1.00 1.28  1   BF 1 
HETATM 3710 C C30 . LIG_BF BF 43 .   ? 19.067  3.496   -1.457  1.00 1.29  1   BF 1 
HETATM 3711 C C31 . LIG_BF BF 43 .   ? 18.787  4.394   -2.119  1.00 1.26  1   BF 1 
HETATM 3712 C C32 . LIG_BF BF 43 .   ? 18.657  5.505   -2.268  1.00 1.29  1   BF 1 
HETATM 3713 C C33 . LIG_BF BF 43 .   ? 18.328  6.426   -2.747  1.00 1.26  1   BF 1 
HETATM 3714 C C34 . LIG_BF BF 43 .   ? 17.994  7.493   -2.905  1.00 1.26  1   BF 1 
HETATM 3715 C C35 . LIG_BF BF 43 .   ? 17.644  8.359   -3.493  1.00 1.29  1   BF 1 
HETATM 3716 C C36 . LIG_BF BF 43 .   ? 17.139  9.326   -3.750  1.00 1.37  1   BF 1 
HETATM 3717 C C37 . LIG_BF BF 43 .   ? 16.764  10.100  -4.449  1.00 1.41  1   BF 1 
HETATM 3718 C C38 . LIG_BF BF 43 .   ? 16.139  10.898  -4.894  1.00 1.35  1   BF 1 
HETATM 3719 C C39 . LIG_BF BF 43 .   ? 15.815  11.793  -5.508  1.00 1.38  1   BF 1 
HETATM 3720 C C40 . LIG_BF BF 43 .   ? 15.395  12.680  -5.944  1.00 1.35  1   BF 1 
HETATM 3721 C C41 . LIG_BF BF 43 .   ? 15.051  13.716  -6.445  1.00 1.36  1   BF 1 
HETATM 3722 C C1  . LIG_DF DF 44 .   ? 12.962  -0.633  -25.668 1.00 1.67  1   DF 1 
HETATM 3723 C C2  . LIG_DF DF 44 .   ? 13.588  -1.382  -24.848 1.00 1.60  1   DF 1 
HETATM 3724 C C3  . LIG_DF DF 44 .   ? 13.484  -2.529  -24.491 1.00 1.58  1   DF 1 
HETATM 3725 C C4  . LIG_DF DF 44 .   ? 13.999  -3.281  -23.685 1.00 1.55  1   DF 1 
HETATM 3726 C C5  . LIG_DF DF 44 .   ? 13.799  -4.426  -23.248 1.00 1.57  1   DF 1 
HETATM 3727 C C6  . LIG_DF DF 44 .   ? 14.249  -5.063  -22.298 1.00 1.52  1   DF 1 
HETATM 3728 C C7  . LIG_DF DF 44 .   ? 13.987  -6.024  -21.648 1.00 1.41  1   DF 1 
HETATM 3729 C C8  . LIG_DF DF 44 .   ? 14.264  -6.658  -20.721 1.00 1.51  1   DF 1 
HETATM 3730 C C9  . LIG_DF DF 44 .   ? 13.992  -7.473  -19.971 1.00 1.56  1   DF 1 
HETATM 3731 C C10 . LIG_DF DF 44 .   ? 14.179  -8.136  -19.050 1.00 1.65  1   DF 1 
HETATM 3732 C C11 . LIG_DF DF 44 .   ? 13.941  -8.887  -18.205 1.00 1.65  1   DF 1 
HETATM 3733 C C12 . LIG_DF DF 44 .   ? 14.412  -9.476  -17.248 1.00 1.71  1   DF 1 
HETATM 3734 C C13 . LIG_DF DF 44 .   ? 13.942  -10.148 -16.312 1.00 1.51  1   DF 1 
HETATM 3735 C C14 . LIG_DF DF 44 .   ? 14.576  -10.737 -15.383 1.00 1.53  1   DF 1 
HETATM 3736 C C15 . LIG_DF DF 44 .   ? 14.071  -11.310 -14.369 1.00 1.49  1   DF 1 
HETATM 3737 C C16 . LIG_DF DF 44 .   ? 14.745  -12.066 -13.536 1.00 1.54  1   DF 1 
HETATM 3738 C C17 . LIG_DF DF 44 .   ? 14.133  -12.420 -12.394 1.00 1.38  1   DF 1 
HETATM 3739 C C18 . LIG_DF DF 44 .   ? 14.622  -13.498 -11.688 1.00 1.33  1   DF 1 
HETATM 3740 O O1  . LIG_DF DF 44 .   ? 13.873  -14.244 -11.167 1.00 1.78  1   DF 1 
HETATM 3741 O O2  . LIG_DF DF 44 .   ? 15.859  -13.616 -11.622 1.00 1.47  1   DF 1 
HETATM 3742 C C19 . LIG_DF DF 44 .   ? 16.267  -14.644 -10.878 1.00 1.31  1   DF 1 
HETATM 3743 C C20 . LIG_DF DF 44 .   ? 17.714  -14.851 -10.982 1.00 1.25  1   DF 1 
HETATM 3744 C C21 . LIG_DF DF 44 .   ? 18.109  -15.922 -10.027 1.00 1.29  1   DF 1 
HETATM 3745 O O3  . LIG_DF DF 44 .   ? 17.828  -17.137 -10.567 1.00 1.31  1   DF 1 
HETATM 3746 P P1  . LIG_DF DF 44 .   ? 18.086  -18.472 -9.756  1.00 1.51  1   DF 1 
HETATM 3747 O O4  . LIG_DF DF 44 .   ? 17.813  -19.524 -10.710 1.00 1.28  1   DF 1 
HETATM 3748 O O5  . LIG_DF DF 44 .   ? 19.424  -18.402 -9.300  1.00 1.35  1   DF 1 
HETATM 3749 O O6  . LIG_DF DF 44 .   ? 17.116  -18.457 -8.689  1.00 1.50  1   DF 1 
HETATM 3750 O O7  . LIG_DF DF 44 .   ? 18.354  -13.680 -10.596 1.00 1.34  1   DF 1 
HETATM 3751 C C22 . LIG_DF DF 44 .   ? 19.400  -13.417 -11.235 1.00 1.38  1   DF 1 
HETATM 3752 O O8  . LIG_DF DF 44 .   ? 19.899  -14.211 -11.961 1.00 1.34  1   DF 1 
HETATM 3753 C C23 . LIG_DF DF 44 .   ? 19.903  -12.133 -11.091 1.00 1.33  1   DF 1 
HETATM 3754 C C24 . LIG_DF DF 44 .   ? 20.081  -11.506 -12.269 1.00 1.46  1   DF 1 
HETATM 3755 C C25 . LIG_DF DF 44 .   ? 20.422  -10.221 -12.224 1.00 1.53  1   DF 1 
HETATM 3756 C C26 . LIG_DF DF 44 .   ? 20.660  -9.587  -13.389 1.00 1.52  1   DF 1 
HETATM 3757 C C27 . LIG_DF DF 44 .   ? 19.612  -9.393  -14.225 1.00 1.44  1   DF 1 
HETATM 3758 C C28 . LIG_DF DF 44 .   ? 19.760  -8.783  -15.317 1.00 1.33  1   DF 1 
HETATM 3759 C C29 . LIG_DF DF 44 .   ? 19.040  -8.736  -16.329 1.00 1.37  1   DF 1 
HETATM 3760 C C30 . LIG_DF DF 44 .   ? 19.231  -8.473  -17.466 1.00 1.35  1   DF 1 
HETATM 3761 C C31 . LIG_DF DF 44 .   ? 18.848  -8.386  -18.526 1.00 1.34  1   DF 1 
HETATM 3762 C C32 . LIG_DF DF 44 .   ? 19.026  -8.226  -19.641 1.00 1.43  1   DF 1 
HETATM 3763 C C33 . LIG_DF DF 44 .   ? 18.553  -8.005  -20.665 1.00 1.36  1   DF 1 
HETATM 3764 C C34 . LIG_DF DF 44 .   ? 18.708  -7.941  -21.838 1.00 1.40  1   DF 1 
HETATM 3765 C C35 . LIG_DF DF 44 .   ? 18.056  -7.535  -22.739 1.00 1.47  1   DF 1 
HETATM 3766 C C36 . LIG_DF DF 44 .   ? 17.881  -7.621  -23.934 1.00 1.51  1   DF 1 
HETATM 3767 C C37 . LIG_DF DF 44 .   ? 17.023  -7.043  -24.641 1.00 1.54  1   DF 1 
HETATM 3768 C C38 . LIG_DF DF 44 .   ? 16.390  -7.170  -25.615 1.00 1.47  1   DF 1 
HETATM 3769 C C39 . LIG_DF DF 44 .   ? 15.394  -6.605  -26.212 1.00 1.50  1   DF 1 
HETATM 3770 C C1  . LIG_BG BG 45 .   ? 9.102   37.445  2.400   1.00 1.25  1   BG 1 
HETATM 3771 C C2  . LIG_BG BG 45 .   ? 8.018   36.891  2.324   1.00 1.26  1   BG 1 
HETATM 3772 C C3  . LIG_BG BG 45 .   ? 7.026   36.467  2.376   1.00 1.25  1   BG 1 
HETATM 3773 C C4  . LIG_BG BG 45 .   ? 6.005   35.956  2.360   1.00 1.26  1   BG 1 
HETATM 3774 C C5  . LIG_BG BG 45 .   ? 4.997   35.554  2.522   1.00 1.27  1   BG 1 
HETATM 3775 C C6  . LIG_BG BG 45 .   ? 4.058   34.929  2.633   1.00 1.20  1   BG 1 
HETATM 3776 C C7  . LIG_BG BG 45 .   ? 3.190   34.508  3.260   1.00 1.19  1   BG 1 
HETATM 3777 C C8  . LIG_BG BG 45 .   ? 2.684   33.659  3.760   1.00 1.22  1   BG 1 
HETATM 3778 C C9  . LIG_BG BG 45 .   ? 2.126   32.984  4.407   1.00 1.23  1   BG 1 
HETATM 3779 C C10 . LIG_BG BG 45 .   ? 1.657   32.169  5.027   1.00 1.28  1   BG 1 
HETATM 3780 C C11 . LIG_BG BG 45 .   ? 1.013   31.533  5.615   1.00 1.29  1   BG 1 
HETATM 3781 C C12 . LIG_BG BG 45 .   ? 0.539   30.756  6.348   1.00 1.39  1   BG 1 
HETATM 3782 C C13 . LIG_BG BG 45 .   ? -0.463  30.398  6.821   1.00 1.27  1   BG 1 
HETATM 3783 C C14 . LIG_BG BG 45 .   ? -1.023  29.825  7.687   1.00 1.29  1   BG 1 
HETATM 3784 C C15 . LIG_BG BG 45 .   ? -2.125  29.498  8.057   1.00 1.30  1   BG 1 
HETATM 3785 C C16 . LIG_BG BG 45 .   ? -2.549  28.933  9.091   1.00 1.30  1   BG 1 
HETATM 3786 C C17 . LIG_BG BG 45 .   ? -3.746  28.514  9.266   1.00 1.16  1   BG 1 
HETATM 3787 C C18 . LIG_BG BG 45 .   ? -3.969  27.862  10.452  1.00 1.17  1   BG 1 
HETATM 3788 O O1  . LIG_BG BG 45 .   ? -3.218  27.929  11.359  1.00 1.35  1   BG 1 
HETATM 3789 O O2  . LIG_BG BG 45 .   ? -4.994  27.204  10.456  1.00 1.30  1   BG 1 
HETATM 3790 C C19 . LIG_BG BG 45 .   ? -5.244  26.510  11.575  1.00 1.14  1   BG 1 
HETATM 3791 C C20 . LIG_BG BG 45 .   ? -6.476  25.766  11.392  1.00 1.17  1   BG 1 
HETATM 3792 C C21 . LIG_BG BG 45 .   ? -6.951  25.067  12.612  1.00 1.16  1   BG 1 
HETATM 3793 O O3  . LIG_BG BG 45 .   ? -6.131  25.234  13.646  1.00 1.18  1   BG 1 
HETATM 3794 P P1  . LIG_BG BG 45 .   ? -6.580  24.966  15.117  1.00 1.13  1   BG 1 
HETATM 3795 O O4  . LIG_BG BG 45 .   ? -5.459  24.373  15.797  1.00 1.11  1   BG 1 
HETATM 3796 O O5  . LIG_BG BG 45 .   ? -7.177  26.119  15.652  1.00 1.09  1   BG 1 
HETATM 3797 O O6  . LIG_BG BG 45 .   ? -7.711  23.867  14.994  1.00 1.13  1   BG 1 
HETATM 3798 C C22 . LIG_BG BG 45 .   ? -7.977  23.137  16.030  1.00 1.15  1   BG 1 
HETATM 3799 C C23 . LIG_BG BG 45 .   ? -9.016  22.244  15.813  1.00 1.11  1   BG 1 
HETATM 3800 N N1  . LIG_BG BG 45 .   ? -9.226  21.909  14.596  1.00 1.46  1   BG 1 
HETATM 3801 O O7  . LIG_BG BG 45 .   ? -6.191  24.752  10.462  1.00 1.19  1   BG 1 
HETATM 3802 C C24 . LIG_BG BG 45 .   ? -7.053  24.650  9.541   1.00 1.18  1   BG 1 
HETATM 3803 O O8  . LIG_BG BG 45 .   ? -8.064  25.274  9.534   1.00 1.20  1   BG 1 
HETATM 3804 C C25 . LIG_BG BG 45 .   ? -6.711  23.771  8.513   1.00 1.20  1   BG 1 
HETATM 3805 C C26 . LIG_BG BG 45 .   ? -6.709  24.383  7.283   1.00 1.35  1   BG 1 
HETATM 3806 C C27 . LIG_BG BG 45 .   ? -5.509  24.881  6.917   1.00 1.34  1   BG 1 
HETATM 3807 C C28 . LIG_BG BG 45 .   ? -5.402  25.686  5.921   1.00 1.23  1   BG 1 
HETATM 3808 C C29 . LIG_BG BG 45 .   ? -4.368  26.219  5.497   1.00 1.25  1   BG 1 
HETATM 3809 C C30 . LIG_BG BG 45 .   ? -4.133  27.061  4.704   1.00 1.27  1   BG 1 
HETATM 3810 C C31 . LIG_BG BG 45 .   ? -3.207  27.592  4.199   1.00 1.23  1   BG 1 
HETATM 3811 C C32 . LIG_BG BG 45 .   ? -2.970  28.466  3.488   1.00 1.30  1   BG 1 
HETATM 3812 C C33 . LIG_BG BG 45 .   ? -2.208  29.042  2.913   1.00 1.26  1   BG 1 
HETATM 3813 C C34 . LIG_BG BG 45 .   ? -1.865  29.880  2.246   1.00 1.25  1   BG 1 
HETATM 3814 C C35 . LIG_BG BG 45 .   ? -0.986  30.300  1.646   1.00 1.28  1   BG 1 
HETATM 3815 C C36 . LIG_BG BG 45 .   ? -0.614  31.186  1.044   1.00 1.34  1   BG 1 
HETATM 3816 C C37 . LIG_BG BG 45 .   ? 0.331   31.547  0.441   1.00 1.34  1   BG 1 
HETATM 3817 C C38 . LIG_BG BG 45 .   ? 0.731   32.514  -0.052  1.00 1.28  1   BG 1 
HETATM 3818 C C39 . LIG_BG BG 45 .   ? 1.599   32.985  -0.753  1.00 1.28  1   BG 1 
HETATM 3819 C C40 . LIG_BG BG 45 .   ? 1.961   34.048  -1.143  1.00 1.22  1   BG 1 
HETATM 3820 C C41 . LIG_BG BG 45 .   ? 2.781   34.544  -1.971  1.00 1.25  1   BG 1 
HETATM 3821 C C1  . LIG_DG DG 46 .   ? 1.615   10.681  -17.925 1.00 1.69  1   DG 1 
HETATM 3822 C C2  . LIG_DG DG 46 .   ? 1.063   9.839   -17.234 1.00 1.70  1   DG 1 
HETATM 3823 C C3  . LIG_DG DG 46 .   ? 0.733   9.216   -16.380 1.00 1.52  1   DG 1 
HETATM 3824 C C4  . LIG_DG DG 46 .   ? 0.207   8.445   -15.711 1.00 1.58  1   DG 1 
HETATM 3825 C C5  . LIG_DG DG 46 .   ? -0.101  7.813   -14.839 1.00 1.59  1   DG 1 
HETATM 3826 C C6  . LIG_DG DG 46 .   ? -0.649  6.982   -14.248 1.00 1.49  1   DG 1 
HETATM 3827 C C7  . LIG_DG DG 46 .   ? -0.907  6.364   -13.352 1.00 1.51  1   DG 1 
HETATM 3828 C C8  . LIG_DG DG 46 .   ? -1.332  5.620   -12.662 1.00 1.67  1   DG 1 
HETATM 3829 C C9  . LIG_DG DG 46 .   ? -1.627  5.011   -11.810 1.00 1.72  1   DG 1 
HETATM 3830 C C10 . LIG_DG DG 46 .   ? -1.973  4.315   -11.019 1.00 1.88  1   DG 1 
HETATM 3831 C C11 . LIG_DG DG 46 .   ? -2.321  3.766   -10.128 1.00 2.07  1   DG 1 
HETATM 3832 C C12 . LIG_DG DG 46 .   ? -2.682  2.905   -9.474  1.00 2.42  1   DG 1 
HETATM 3833 C C13 . LIG_DG DG 46 .   ? -3.173  2.463   -8.542  1.00 1.94  1   DG 1 
HETATM 3834 C C14 . LIG_DG DG 46 .   ? -3.573  1.509   -8.029  1.00 1.98  1   DG 1 
HETATM 3835 C C15 . LIG_DG DG 46 .   ? -4.220  1.186   -7.020  1.00 1.91  1   DG 1 
HETATM 3836 C C16 . LIG_DG DG 46 .   ? -4.623  -0.038  -6.811  1.00 2.14  1   DG 1 
HETATM 3837 C C17 . LIG_DG DG 46 .   ? -5.395  -0.347  -5.758  1.00 1.71  1   DG 1 
HETATM 3838 C C18 . LIG_DG DG 46 .   ? -5.767  -1.696  -5.810  1.00 1.94  1   DG 1 
HETATM 3839 O O1  . LIG_DG DG 46 .   ? -5.091  -2.535  -5.331  1.00 2.78  1   DG 1 
HETATM 3840 O O2  . LIG_DG DG 46 .   ? -6.816  -1.897  -6.428  1.00 2.41  1   DG 1 
HETATM 3841 C C19 . LIG_DG DG 46 .   ? -7.252  -3.164  -6.454  1.00 1.95  1   DG 1 
HETATM 3842 C C20 . LIG_DG DG 46 .   ? -8.523  -3.232  -7.158  1.00 2.18  1   DG 1 
HETATM 3843 C C21 . LIG_DG DG 46 .   ? -9.133  -4.588  -7.014  1.00 2.29  1   DG 1 
HETATM 3844 O O3  . LIG_DG DG 46 .   ? -9.511  -4.815  -5.720  1.00 3.34  1   DG 1 
HETATM 3845 P P1  . LIG_DG DG 46 .   ? -10.475 -6.016  -5.370  1.00 3.52  1   DG 1 
HETATM 3846 O O4  . LIG_DG DG 46 .   ? -10.515 -6.008  -3.918  1.00 3.44  1   DG 1 
HETATM 3847 O O5  . LIG_DG DG 46 .   ? -9.865  -7.185  -5.929  1.00 4.29  1   DG 1 
HETATM 3848 O O6  . LIG_DG DG 46 .   ? -11.742 -5.684  -5.965  1.00 4.57  1   DG 1 
HETATM 3849 O O7  . LIG_DG DG 46 .   ? -8.280  -3.060  -8.508  1.00 2.01  1   DG 1 
HETATM 3850 C C22 . LIG_DG DG 46 .   ? -8.891  -2.101  -9.049  1.00 1.94  1   DG 1 
HETATM 3851 O O8  . LIG_DG DG 46 .   ? -9.667  -1.431  -8.447  1.00 1.87  1   DG 1 
HETATM 3852 C C23 . LIG_DG DG 46 .   ? -8.533  -1.910  -10.367 1.00 1.57  1   DG 1 
HETATM 3853 C C24 . LIG_DG DG 46 .   ? -8.253  -0.639  -10.656 1.00 1.99  1   DG 1 
HETATM 3854 C C25 . LIG_DG DG 46 .   ? -7.135  -0.367  -11.267 1.00 2.21  1   DG 1 
HETATM 3855 C C26 . LIG_DG DG 46 .   ? -6.964  0.777   -11.837 1.00 2.44  1   DG 1 
HETATM 3856 C C27 . LIG_DG DG 46 .   ? -5.876  1.117   -12.445 1.00 2.30  1   DG 1 
HETATM 3857 C C28 . LIG_DG DG 46 .   ? -5.805  2.065   -13.282 1.00 1.68  1   DG 1 
HETATM 3858 C C29 . LIG_DG DG 46 .   ? -4.892  2.479   -13.991 1.00 1.84  1   DG 1 
HETATM 3859 C C30 . LIG_DG DG 46 .   ? -4.703  3.097   -14.962 1.00 1.69  1   DG 1 
HETATM 3860 C C31 . LIG_DG DG 46 .   ? -4.065  3.497   -15.825 1.00 1.75  1   DG 1 
HETATM 3861 C C32 . LIG_DG DG 46 .   ? -3.966  3.935   -16.900 1.00 1.95  1   DG 1 
HETATM 3862 C C33 . LIG_DG DG 46 .   ? -3.197  4.170   -17.788 1.00 1.60  1   DG 1 
HETATM 3863 C C34 . LIG_DG DG 46 .   ? -3.294  4.330   -18.992 1.00 1.48  1   DG 1 
HETATM 3864 C C35 . LIG_DG DG 46 .   ? -2.625  4.261   -19.985 1.00 1.55  1   DG 1 
HETATM 3865 C C36 . LIG_DG DG 46 .   ? -2.818  4.148   -21.242 1.00 1.61  1   DG 1 
HETATM 3866 C C37 . LIG_DG DG 46 .   ? -2.065  3.444   -22.029 1.00 1.54  1   DG 1 
HETATM 3867 C C38 . LIG_DG DG 46 .   ? -2.330  3.028   -23.216 1.00 1.39  1   DG 1 
HETATM 3868 C C39 . LIG_DG DG 46 .   ? -1.611  2.176   -23.915 1.00 1.59  1   DG 1 
HETATM 3869 C C1  . LIG_BH BH 47 .   ? 4.821   12.923  -9.185  1.00 1.42  1   BH 1 
HETATM 3870 C C2  . LIG_BH BH 47 .   ? 4.280   12.543  -8.175  1.00 1.45  1   BH 1 
HETATM 3871 C C3  . LIG_BH BH 47 .   ? 3.695   12.074  -7.428  1.00 1.36  1   BH 1 
HETATM 3872 C C4  . LIG_BH BH 47 .   ? 3.121   11.554  -6.629  1.00 1.47  1   BH 1 
HETATM 3873 C C5  . LIG_BH BH 47 .   ? 2.520   10.909  -6.008  1.00 1.47  1   BH 1 
HETATM 3874 C C6  . LIG_BH BH 47 .   ? 2.066   10.272  -5.219  1.00 1.44  1   BH 1 
HETATM 3875 C C7  . LIG_BH BH 47 .   ? 1.614   9.595   -4.528  1.00 1.44  1   BH 1 
HETATM 3876 C C8  . LIG_BH BH 47 .   ? 1.320   8.968   -3.699  1.00 1.48  1   BH 1 
HETATM 3877 C C9  . LIG_BH BH 47 .   ? 0.997   8.334   -2.909  1.00 1.57  1   BH 1 
HETATM 3878 C C10 . LIG_BH BH 47 .   ? 0.823   7.690   -2.013  1.00 1.82  1   BH 1 
HETATM 3879 C C11 . LIG_BH BH 47 .   ? 0.483   7.036   -1.173  1.00 1.85  1   BH 1 
HETATM 3880 C C12 . LIG_BH BH 47 .   ? 0.504   6.426   -0.217  1.00 2.42  1   BH 1 
HETATM 3881 C C13 . LIG_BH BH 47 .   ? 0.052   5.876   0.659   1.00 1.89  1   BH 1 
HETATM 3882 C C14 . LIG_BH BH 47 .   ? 0.296   5.387   1.732   1.00 1.97  1   BH 1 
HETATM 3883 C C15 . LIG_BH BH 47 .   ? -0.268  5.086   2.748   1.00 1.93  1   BH 1 
HETATM 3884 C C16 . LIG_BH BH 47 .   ? 0.076   4.628   3.876   1.00 1.96  1   BH 1 
HETATM 3885 C C17 . LIG_BH BH 47 .   ? -0.650  4.756   4.986   1.00 1.52  1   BH 1 
HETATM 3886 C C18 . LIG_BH BH 47 .   ? -1.591  3.767   5.207   1.00 1.62  1   BH 1 
HETATM 3887 O O1  . LIG_BH BH 47 .   ? -1.387  2.883   5.979   1.00 2.05  1   BH 1 
HETATM 3888 O O2  . LIG_BH BH 47 .   ? -2.633  3.919   4.544   1.00 1.86  1   BH 1 
HETATM 3889 C C19 . LIG_BH BH 47 .   ? -3.583  3.007   4.713   1.00 1.57  1   BH 1 
HETATM 3890 C C20 . LIG_BH BH 47 .   ? -4.781  3.310   3.926   1.00 2.18  1   BH 1 
HETATM 3891 C C21 . LIG_BH BH 47 .   ? -5.713  2.158   4.110   1.00 1.99  1   BH 1 
HETATM 3892 O O3  . LIG_BH BH 47 .   ? -6.668  2.139   3.161   1.00 2.60  1   BH 1 
HETATM 3893 P P1  . LIG_BH BH 47 .   ? -7.777  1.042   3.168   1.00 2.25  1   BH 1 
HETATM 3894 O O4  . LIG_BH BH 47 .   ? -7.188  -0.210  3.568   1.00 2.23  1   BH 1 
HETATM 3895 O O5  . LIG_BH BH 47 .   ? -8.473  1.103   1.919   1.00 2.35  1   BH 1 
HETATM 3896 O O6  . LIG_BH BH 47 .   ? -8.726  1.578   4.310   1.00 2.06  1   BH 1 
HETATM 3897 C C22 . LIG_BH BH 47 .   ? -8.835  0.955   5.438   1.00 2.33  1   BH 1 
HETATM 3898 C C23 . LIG_BH BH 47 .   ? -9.923  1.455   6.190   1.00 2.07  1   BH 1 
HETATM 3899 N N1  . LIG_BH BH 47 .   ? -9.846  2.723   6.499   1.00 4.49  1   BH 1 
HETATM 3900 O O7  . LIG_BH BH 47 .   ? -4.416  3.412   2.581   1.00 1.81  1   BH 1 
HETATM 3901 C C24 . LIG_BH BH 47 .   ? -4.619  4.530   2.012   1.00 1.90  1   BH 1 
HETATM 3902 O O8  . LIG_BH BH 47 .   ? -5.067  5.489   2.611   1.00 1.61  1   BH 1 
HETATM 3903 C C25 . LIG_BH BH 47 .   ? -4.315  4.556   0.695   1.00 1.72  1   BH 1 
HETATM 3904 C C26 . LIG_BH BH 47 .   ? -4.196  5.697   0.035   1.00 1.95  1   BH 1 
HETATM 3905 C C27 . LIG_BH BH 47 .   ? -4.172  5.611   -1.261  1.00 1.98  1   BH 1 
HETATM 3906 C C28 . LIG_BH BH 47 .   ? -3.420  4.901   -2.008  1.00 1.65  1   BH 1 
HETATM 3907 C C29 . LIG_BH BH 47 .   ? -3.698  4.466   -3.182  1.00 1.71  1   BH 1 
HETATM 3908 C C30 . LIG_BH BH 47 .   ? -2.939  4.340   -4.152  1.00 1.63  1   BH 1 
HETATM 3909 C C31 . LIG_BH BH 47 .   ? -2.339  5.170   -4.769  1.00 1.49  1   BH 1 
HETATM 3910 C C32 . LIG_BH BH 47 .   ? -1.734  5.465   -5.636  1.00 1.57  1   BH 1 
HETATM 3911 C C33 . LIG_BH BH 47 .   ? -1.148  6.130   -6.289  1.00 1.42  1   BH 1 
HETATM 3912 C C34 . LIG_BH BH 47 .   ? -0.595  6.564   -7.127  1.00 1.39  1   BH 1 
HETATM 3913 C C35 . LIG_BH BH 47 .   ? -0.038  7.232   -7.802  1.00 1.34  1   BH 1 
HETATM 3914 C C36 . LIG_BH BH 47 .   ? 0.403   7.731   -8.689  1.00 1.39  1   BH 1 
HETATM 3915 C C37 . LIG_BH BH 47 .   ? 0.915   8.485   -9.348  1.00 1.41  1   BH 1 
HETATM 3916 C C38 . LIG_BH BH 47 .   ? 1.222   8.945   -10.348 1.00 1.36  1   BH 1 
HETATM 3917 C C39 . LIG_BH BH 47 .   ? 1.820   9.773   -10.923 1.00 1.42  1   BH 1 
HETATM 3918 C C40 . LIG_BH BH 47 .   ? 2.253   10.285  -11.851 1.00 1.33  1   BH 1 
HETATM 3919 C C41 . LIG_BH BH 47 .   ? 2.949   11.163  -12.375 1.00 1.30  1   BH 1 
HETATM 3920 C C1  . LIG_DH DH 48 .   ? 11.445  27.700  -4.631  1.00 1.32  1   DH 1 
HETATM 3921 C C2  . LIG_DH DH 48 .   ? 10.218  27.930  -4.998  1.00 1.26  1   DH 1 
HETATM 3922 C C3  . LIG_DH DH 48 .   ? 9.862   27.764  -6.216  1.00 1.27  1   DH 1 
HETATM 3923 C C4  . LIG_DH DH 48 .   ? 9.448   26.708  -6.743  1.00 1.30  1   DH 1 
HETATM 3924 C C5  . LIG_DH DH 48 .   ? 8.996   26.448  -7.838  1.00 1.26  1   DH 1 
HETATM 3925 C C6  . LIG_DH DH 48 .   ? 8.399   25.595  -8.418  1.00 1.19  1   DH 1 
HETATM 3926 C C7  . LIG_DH DH 48 .   ? 7.777   25.608  -9.406  1.00 1.21  1   DH 1 
HETATM 3927 C C8  . LIG_DH DH 48 .   ? 6.958   25.458  -10.069 1.00 1.24  1   DH 1 
HETATM 3928 C C9  . LIG_DH DH 48 .   ? 6.261   25.423  -10.941 1.00 1.26  1   DH 1 
HETATM 3929 C C10 . LIG_DH DH 48 .   ? 5.665   25.311  -11.832 1.00 1.32  1   DH 1 
HETATM 3930 C C11 . LIG_DH DH 48 .   ? 5.095   25.223  -12.754 1.00 1.31  1   DH 1 
HETATM 3931 C C12 . LIG_DH DH 48 .   ? 4.733   25.131  -13.780 1.00 1.44  1   DH 1 
HETATM 3932 C C13 . LIG_DH DH 48 .   ? 4.351   25.142  -14.816 1.00 1.30  1   DH 1 
HETATM 3933 C C14 . LIG_DH DH 48 .   ? 4.530   25.260  -15.975 1.00 1.30  1   DH 1 
HETATM 3934 C C15 . LIG_DH DH 48 .   ? 3.823   25.409  -16.911 1.00 1.34  1   DH 1 
HETATM 3935 C C16 . LIG_DH DH 48 .   ? 3.903   25.766  -18.067 1.00 1.31  1   DH 1 
HETATM 3936 C C17 . LIG_DH DH 48 .   ? 4.921   25.741  -18.836 1.00 1.19  1   DH 1 
HETATM 3937 C C18 . LIG_DH DH 48 .   ? 4.732   26.155  -20.122 1.00 1.19  1   DH 1 
HETATM 3938 O O1  . LIG_DH DH 48 .   ? 3.749   26.700  -20.448 1.00 1.47  1   DH 1 
HETATM 3939 O O2  . LIG_DH DH 48 .   ? 5.649   25.883  -20.885 1.00 1.36  1   DH 1 
HETATM 3940 C C19 . LIG_DH DH 48 .   ? 5.437   26.191  -22.166 1.00 1.18  1   DH 1 
HETATM 3941 C C20 . LIG_DH DH 48 .   ? 6.516   25.677  -22.999 1.00 1.18  1   DH 1 
HETATM 3942 C C21 . LIG_DH DH 48 .   ? 6.230   25.938  -24.431 1.00 1.19  1   DH 1 
HETATM 3943 O O3  . LIG_DH DH 48 .   ? 5.973   27.267  -24.617 1.00 1.23  1   DH 1 
HETATM 3944 P P1  . LIG_DH DH 48 .   ? 5.689   27.872  -26.059 1.00 1.31  1   DH 1 
HETATM 3945 O O4  . LIG_DH DH 48 .   ? 6.971   27.835  -26.727 1.00 1.24  1   DH 1 
HETATM 3946 O O5  . LIG_DH DH 48 .   ? 5.194   29.167  -25.815 1.00 1.22  1   DH 1 
HETATM 3947 O O6  . LIG_DH DH 48 .   ? 4.751   26.992  -26.685 1.00 1.26  1   DH 1 
HETATM 3948 O O7  . LIG_DH DH 48 .   ? 6.580   24.297  -22.804 1.00 1.24  1   DH 1 
HETATM 3949 C C22 . LIG_DH DH 48 .   ? 7.702   23.836  -22.400 1.00 1.31  1   DH 1 
HETATM 3950 O O8  . LIG_DH DH 48 .   ? 8.690   24.477  -22.471 1.00 1.30  1   DH 1 
HETATM 3951 C C23 . LIG_DH DH 48 .   ? 7.648   22.571  -21.787 1.00 1.23  1   DH 1 
HETATM 3952 C C24 . LIG_DH DH 48 .   ? 7.837   22.647  -20.420 1.00 1.39  1   DH 1 
HETATM 3953 C C25 . LIG_DH DH 48 .   ? 7.455   21.609  -19.665 1.00 1.48  1   DH 1 
HETATM 3954 C C26 . LIG_DH DH 48 .   ? 7.409   21.771  -18.331 1.00 1.54  1   DH 1 
HETATM 3955 C C27 . LIG_DH DH 48 .   ? 6.924   20.813  -17.584 1.00 1.50  1   DH 1 
HETATM 3956 C C28 . LIG_DH DH 48 .   ? 6.718   20.865  -16.344 1.00 1.32  1   DH 1 
HETATM 3957 C C29 . LIG_DH DH 48 .   ? 6.254   20.016  -15.593 1.00 1.39  1   DH 1 
HETATM 3958 C C30 . LIG_DH DH 48 .   ? 5.973   20.060  -14.439 1.00 1.41  1   DH 1 
HETATM 3959 C C31 . LIG_DH DH 48 .   ? 5.892   20.538  -13.473 1.00 1.39  1   DH 1 
HETATM 3960 C C32 . LIG_DH DH 48 .   ? 5.595   20.706  -12.395 1.00 1.44  1   DH 1 
HETATM 3961 C C33 . LIG_DH DH 48 .   ? 5.733   21.266  -11.417 1.00 1.35  1   DH 1 
HETATM 3962 C C34 . LIG_DH DH 48 .   ? 5.261   21.538  -10.366 1.00 1.33  1   DH 1 
HETATM 3963 C C35 . LIG_DH DH 48 .   ? 5.677   21.878  -9.292  1.00 1.33  1   DH 1 
HETATM 3964 C C36 . LIG_DH DH 48 .   ? 5.103   22.066  -8.212  1.00 1.38  1   DH 1 
HETATM 3965 C C37 . LIG_DH DH 48 .   ? 5.536   22.027  -7.037  1.00 1.46  1   DH 1 
HETATM 3966 C C38 . LIG_DH DH 48 .   ? 4.820   22.083  -5.988  1.00 1.33  1   DH 1 
HETATM 3967 C C39 . LIG_DH DH 48 .   ? 5.157   21.754  -4.774  1.00 1.35  1   DH 1 
HETATM 3968 C C1  . LIG_BI BI 49 .   ? 25.827  6.946   -17.550 1.00 1.36  1   BI 1 
HETATM 3969 C C2  . LIG_BI BI 49 .   ? 25.824  6.050   -16.767 1.00 1.28  1   BI 1 
HETATM 3970 C C3  . LIG_BI BI 49 .   ? 25.757  5.121   -16.141 1.00 1.27  1   BI 1 
HETATM 3971 C C4  . LIG_BI BI 49 .   ? 25.812  4.311   -15.318 1.00 1.24  1   BI 1 
HETATM 3972 C C5  . LIG_BI BI 49 .   ? 25.666  3.324   -14.726 1.00 1.29  1   BI 1 
HETATM 3973 C C6  . LIG_BI BI 49 .   ? 25.770  2.637   -13.791 1.00 1.25  1   BI 1 
HETATM 3974 C C7  . LIG_BI BI 49 .   ? 25.512  1.730   -13.127 1.00 1.25  1   BI 1 
HETATM 3975 C C8  . LIG_BI BI 49 .   ? 25.577  1.180   -12.104 1.00 1.29  1   BI 1 
HETATM 3976 C C9  . LIG_BI BI 49 .   ? 25.213  0.418   -11.327 1.00 1.32  1   BI 1 
HETATM 3977 C C10 . LIG_BI BI 49 .   ? 25.068  -0.179  -10.372 1.00 1.37  1   BI 1 
HETATM 3978 C C11 . LIG_BI BI 49 .   ? 24.602  -0.944  -9.623  1.00 1.37  1   BI 1 
HETATM 3979 C C12 . LIG_BI BI 49 .   ? 24.723  -1.408  -8.471  1.00 1.50  1   BI 1 
HETATM 3980 C C13 . LIG_BI BI 49 .   ? 24.132  -2.302  -7.828  1.00 1.33  1   BI 1 
HETATM 3981 C C14 . LIG_BI BI 49 .   ? 24.346  -2.835  -6.715  1.00 1.35  1   BI 1 
HETATM 3982 C C15 . LIG_BI BI 49 .   ? 23.736  -3.808  -6.144  1.00 1.34  1   BI 1 
HETATM 3983 C C16 . LIG_BI BI 49 .   ? 24.147  -4.423  -5.067  1.00 1.35  1   BI 1 
HETATM 3984 C C17 . LIG_BI BI 49 .   ? 23.462  -5.416  -4.544  1.00 1.20  1   BI 1 
HETATM 3985 C C18 . LIG_BI BI 49 .   ? 24.063  -6.110  -3.526  1.00 1.23  1   BI 1 
HETATM 3986 O O1  . LIG_BI BI 49 .   ? 25.214  -5.986  -3.276  1.00 1.44  1   BI 1 
HETATM 3987 O O2  . LIG_BI BI 49 .   ? 23.310  -6.840  -2.911  1.00 1.42  1   BI 1 
HETATM 3988 C C19 . LIG_BI BI 49 .   ? 23.891  -7.547  -1.950  1.00 1.18  1   BI 1 
HETATM 3989 C C20 . LIG_BI BI 49 .   ? 22.896  -8.093  -1.047  1.00 1.23  1   BI 1 
HETATM 3990 C C21 . LIG_BI BI 49 .   ? 23.552  -8.757  0.122   1.00 1.20  1   BI 1 
HETATM 3991 O O3  . LIG_BI BI 49 .   ? 24.400  -9.727  -0.333  1.00 1.22  1   BI 1 
HETATM 3992 P P1  . LIG_BI BI 49 .   ? 25.299  -10.510 0.668   1.00 1.21  1   BI 1 
HETATM 3993 O O4  . LIG_BI BI 49 .   ? 24.470  -10.963 1.772   1.00 1.14  1   BI 1 
HETATM 3994 O O5  . LIG_BI BI 49 .   ? 26.060  -11.454 -0.034  1.00 1.12  1   BI 1 
HETATM 3995 O O6  . LIG_BI BI 49 .   ? 26.202  -9.355  1.190   1.00 1.19  1   BI 1 
HETATM 3996 C C22 . LIG_BI BI 49 .   ? 26.949  -9.483  2.163   1.00 1.16  1   BI 1 
HETATM 3997 C C23 . LIG_BI BI 49 .   ? 27.691  -8.329  2.406   1.00 1.14  1   BI 1 
HETATM 3998 N N1  . LIG_BI BI 49 .   ? 27.513  -7.749  3.537   1.00 1.61  1   BI 1 
HETATM 3999 O O7  . LIG_BI BI 49 .   ? 22.156  -9.064  -1.711  1.00 1.26  1   BI 1 
HETATM 4000 C C24 . LIG_BI BI 49 .   ? 20.909  -9.129  -1.385  1.00 1.22  1   BI 1 
HETATM 4001 O O8  . LIG_BI BI 49 .   ? 20.535  -9.868  -0.532  1.00 1.28  1   BI 1 
HETATM 4002 C C25 . LIG_BI BI 49 .   ? 20.064  -8.293  -2.126  1.00 1.23  1   BI 1 
HETATM 4003 C C26 . LIG_BI BI 49 .   ? 19.455  -8.876  -3.234  1.00 1.40  1   BI 1 
HETATM 4004 C C27 . LIG_BI BI 49 .   ? 18.885  -7.979  -4.077  1.00 1.46  1   BI 1 
HETATM 4005 C C28 . LIG_BI BI 49 .   ? 19.610  -7.545  -5.080  1.00 1.27  1   BI 1 
HETATM 4006 C C29 . LIG_BI BI 49 .   ? 19.252  -6.729  -5.950  1.00 1.33  1   BI 1 
HETATM 4007 C C30 . LIG_BI BI 49 .   ? 19.832  -6.182  -6.859  1.00 1.29  1   BI 1 
HETATM 4008 C C31 . LIG_BI BI 49 .   ? 19.737  -5.313  -7.636  1.00 1.35  1   BI 1 
HETATM 4009 C C32 . LIG_BI BI 49 .   ? 20.174  -4.568  -8.342  1.00 1.37  1   BI 1 
HETATM 4010 C C33 . LIG_BI BI 49 .   ? 20.236  -3.670  -8.985  1.00 1.33  1   BI 1 
HETATM 4011 C C34 . LIG_BI BI 49 .   ? 20.477  -2.789  -9.622  1.00 1.31  1   BI 1 
HETATM 4012 C C35 . LIG_BI BI 49 .   ? 20.493  -1.850  -10.227 1.00 1.34  1   BI 1 
HETATM 4013 C C36 . LIG_BI BI 49 .   ? 20.667  -0.927  -10.841 1.00 1.41  1   BI 1 
HETATM 4014 C C37 . LIG_BI BI 49 .   ? 20.685  0.017   -11.379 1.00 1.44  1   BI 1 
HETATM 4015 C C38 . LIG_BI BI 49 .   ? 20.742  1.029   -11.915 1.00 1.35  1   BI 1 
HETATM 4016 C C39 . LIG_BI BI 49 .   ? 20.462  2.143   -11.984 1.00 1.37  1   BI 1 
HETATM 4017 C C40 . LIG_BI BI 49 .   ? 20.437  3.241   -12.313 1.00 1.37  1   BI 1 
HETATM 4018 C C41 . LIG_BI BI 49 .   ? 20.075  4.418   -12.205 1.00 1.38  1   BI 1 
HETATM 4019 C C1  . LIG_DI DI 50 .   ? -6.019  31.667  -10.896 1.00 1.31  1   DI 1 
HETATM 4020 C C2  . LIG_DI DI 50 .   ? -5.865  30.626  -10.163 1.00 1.28  1   DI 1 
HETATM 4021 C C3  . LIG_DI DI 50 .   ? -6.754  29.927  -9.657  1.00 1.29  1   DI 1 
HETATM 4022 C C4  . LIG_DI DI 50 .   ? -6.816  29.314  -8.642  1.00 1.33  1   DI 1 
HETATM 4023 C C5  . LIG_DI DI 50 .   ? -7.567  28.731  -7.967  1.00 1.36  1   DI 1 
HETATM 4024 C C6  . LIG_DI DI 50 .   ? -7.777  28.350  -6.934  1.00 1.32  1   DI 1 
HETATM 4025 C C7  . LIG_DI DI 50 .   ? -8.442  27.950  -6.164  1.00 1.26  1   DI 1 
HETATM 4026 C C8  . LIG_DI DI 50 .   ? -8.699  27.792  -5.115  1.00 1.31  1   DI 1 
HETATM 4027 C C9  . LIG_DI DI 50 .   ? -9.327  27.581  -4.279  1.00 1.32  1   DI 1 
HETATM 4028 C C10 . LIG_DI DI 50 .   ? -9.913  27.400  -3.380  1.00 1.40  1   DI 1 
HETATM 4029 C C11 . LIG_DI DI 50 .   ? -10.778 27.232  -2.728  1.00 1.37  1   DI 1 
HETATM 4030 C C12 . LIG_DI DI 50 .   ? -11.412 26.983  -1.855  1.00 1.45  1   DI 1 
HETATM 4031 C C13 . LIG_DI DI 50 .   ? -12.423 26.734  -1.369  1.00 1.33  1   DI 1 
HETATM 4032 C C14 . LIG_DI DI 50 .   ? -12.963 26.226  -0.485  1.00 1.34  1   DI 1 
HETATM 4033 C C15 . LIG_DI DI 50 .   ? -14.105 25.974  -0.131  1.00 1.36  1   DI 1 
HETATM 4034 C C16 . LIG_DI DI 50 .   ? -14.413 25.316  0.930   1.00 1.35  1   DI 1 
HETATM 4035 C C17 . LIG_DI DI 50 .   ? -15.702 25.190  1.250   1.00 1.18  1   DI 1 
HETATM 4036 C C18 . LIG_DI DI 50 .   ? -15.897 24.443  2.377   1.00 1.20  1   DI 1 
HETATM 4037 O O1  . LIG_DI DI 50 .   ? -15.601 24.835  3.448   1.00 1.37  1   DI 1 
HETATM 4038 O O2  . LIG_DI DI 50 .   ? -16.388 23.355  2.143   1.00 1.33  1   DI 1 
HETATM 4039 C C19 . LIG_DI DI 50 .   ? -16.635 22.582  3.200   1.00 1.16  1   DI 1 
HETATM 4040 C C20 . LIG_DI DI 50 .   ? -16.993 21.245  2.736   1.00 1.14  1   DI 1 
HETATM 4041 C C21 . LIG_DI DI 50 .   ? -17.427 20.394  3.863   1.00 1.14  1   DI 1 
HETATM 4042 O O3  . LIG_DI DI 50 .   ? -18.488 20.943  4.516   1.00 1.18  1   DI 1 
HETATM 4043 P P1  . LIG_DI DI 50 .   ? -19.918 20.253  4.491   1.00 1.15  1   DI 1 
HETATM 4044 O O4  . LIG_DI DI 50 .   ? -19.635 18.840  4.634   1.00 1.13  1   DI 1 
HETATM 4045 O O5  . LIG_DI DI 50 .   ? -20.608 20.790  5.628   1.00 1.13  1   DI 1 
HETATM 4046 O O6  . LIG_DI DI 50 .   ? -20.492 20.550  3.223   1.00 1.20  1   DI 1 
HETATM 4047 O O7  . LIG_DI DI 50 .   ? -15.846 20.666  2.197   1.00 1.21  1   DI 1 
HETATM 4048 C C22 . LIG_DI DI 50 .   ? -15.986 20.178  1.044   1.00 1.22  1   DI 1 
HETATM 4049 O O8  . LIG_DI DI 50 .   ? -17.046 20.193  0.505   1.00 1.20  1   DI 1 
HETATM 4050 C C23 . LIG_DI DI 50 .   ? -14.859 19.665  0.424   1.00 1.16  1   DI 1 
HETATM 4051 C C24 . LIG_DI DI 50 .   ? -14.041 20.636  -0.050  1.00 1.25  1   DI 1 
HETATM 4052 C C25 . LIG_DI DI 50 .   ? -13.730 20.614  -1.326  1.00 1.27  1   DI 1 
HETATM 4053 C C26 . LIG_DI DI 50 .   ? -12.936 21.560  -1.768  1.00 1.30  1   DI 1 
HETATM 4054 C C27 . LIG_DI DI 50 .   ? -12.716 21.743  -2.999  1.00 1.32  1   DI 1 
HETATM 4055 C C28 . LIG_DI DI 50 .   ? -12.167 22.706  -3.526  1.00 1.19  1   DI 1 
HETATM 4056 C C29 . LIG_DI DI 50 .   ? -12.282 23.459  -4.337  1.00 1.22  1   DI 1 
HETATM 4057 C C30 . LIG_DI DI 50 .   ? -12.289 24.328  -5.015  1.00 1.25  1   DI 1 
HETATM 4058 C C31 . LIG_DI DI 50 .   ? -12.614 25.051  -5.796  1.00 1.27  1   DI 1 
HETATM 4059 C C32 . LIG_DI DI 50 .   ? -13.016 25.687  -6.546  1.00 1.35  1   DI 1 
HETATM 4060 C C33 . LIG_DI DI 50 .   ? -13.455 26.190  -7.409  1.00 1.31  1   DI 1 
HETATM 4061 C C34 . LIG_DI DI 50 .   ? -14.130 26.580  -8.181  1.00 1.32  1   DI 1 
HETATM 4062 C C35 . LIG_DI DI 50 .   ? -14.431 27.020  -9.208  1.00 1.33  1   DI 1 
HETATM 4063 C C36 . LIG_DI DI 50 .   ? -15.451 27.569  -9.685  1.00 1.43  1   DI 1 
HETATM 4064 C C37 . LIG_DI DI 50 .   ? -15.482 28.205  -10.793 1.00 1.40  1   DI 1 
HETATM 4065 C C38 . LIG_DI DI 50 .   ? -16.434 28.993  -11.148 1.00 1.28  1   DI 1 
HETATM 4066 C C39 . LIG_DI DI 50 .   ? -16.396 29.694  -12.271 1.00 1.29  1   DI 1 
HETATM 4067 C C1  . LIG_BJ BJ 51 .   ? 13.560  26.301  -2.043  1.00 1.24  1   BJ 1 
HETATM 4068 C C2  . LIG_BJ BJ 51 .   ? 12.969  26.001  -0.988  1.00 1.20  1   BJ 1 
HETATM 4069 C C3  . LIG_BJ BJ 51 .   ? 11.950  25.498  -0.662  1.00 1.20  1   BJ 1 
HETATM 4070 C C4  . LIG_BJ BJ 51 .   ? 11.310  25.174  0.301   1.00 1.24  1   BJ 1 
HETATM 4071 C C5  . LIG_BJ BJ 51 .   ? 10.384  24.536  0.662   1.00 1.27  1   BJ 1 
HETATM 4072 C C6  . LIG_BJ BJ 51 .   ? 9.933   24.191  1.711   1.00 1.20  1   BJ 1 
HETATM 4073 C C7  . LIG_BJ BJ 51 .   ? 9.671   23.290  2.357   1.00 1.22  1   BJ 1 
HETATM 4074 C C8  . LIG_BJ BJ 51 .   ? 9.332   22.832  3.339   1.00 1.24  1   BJ 1 
HETATM 4075 C C9  . LIG_BJ BJ 51 .   ? 9.163   22.010  4.056   1.00 1.24  1   BJ 1 
HETATM 4076 C C10 . LIG_BJ BJ 51 .   ? 8.814   21.392  4.920   1.00 1.29  1   BJ 1 
HETATM 4077 C C11 . LIG_BJ BJ 51 .   ? 8.695   20.516  5.631   1.00 1.28  1   BJ 1 
HETATM 4078 C C12 . LIG_BJ BJ 51 .   ? 8.074   20.015  6.547   1.00 1.37  1   BJ 1 
HETATM 4079 C C13 . LIG_BJ BJ 51 .   ? 8.155   19.003  7.238   1.00 1.27  1   BJ 1 
HETATM 4080 C C14 . LIG_BJ BJ 51 .   ? 7.444   18.529  8.130   1.00 1.31  1   BJ 1 
HETATM 4081 C C15 . LIG_BJ BJ 51 .   ? 7.519   17.563  8.842   1.00 1.31  1   BJ 1 
HETATM 4082 C C16 . LIG_BJ BJ 51 .   ? 6.772   17.003  9.681   1.00 1.37  1   BJ 1 
HETATM 4083 C C17 . LIG_BJ BJ 51 .   ? 7.122   16.000  10.452  1.00 1.19  1   BJ 1 
HETATM 4084 C C18 . LIG_BJ BJ 51 .   ? 6.108   15.452  11.201  1.00 1.20  1   BJ 1 
HETATM 4085 O O1  . LIG_BJ BJ 51 .   ? 5.361   14.672  10.727  1.00 1.41  1   BJ 1 
HETATM 4086 O O2  . LIG_BJ BJ 51 .   ? 6.076   15.810  12.362  1.00 1.35  1   BJ 1 
HETATM 4087 C C19 . LIG_BJ BJ 51 .   ? 5.202   15.201  13.133  1.00 1.15  1   BJ 1 
HETATM 4088 C C20 . LIG_BJ BJ 51 .   ? 5.189   15.835  14.453  1.00 1.18  1   BJ 1 
HETATM 4089 C C21 . LIG_BJ BJ 51 .   ? 4.480   14.937  15.408  1.00 1.17  1   BJ 1 
HETATM 4090 O O3  . LIG_BJ BJ 51 .   ? 4.407   15.542  16.590  1.00 1.22  1   BJ 1 
HETATM 4091 P P1  . LIG_BJ BJ 51 .   ? 4.053   14.778  17.896  1.00 1.16  1   BJ 1 
HETATM 4092 O O4  . LIG_BJ BJ 51 .   ? 3.042   15.534  18.562  1.00 1.12  1   BJ 1 
HETATM 4093 O O5  . LIG_BJ BJ 51 .   ? 3.824   13.396  17.667  1.00 1.11  1   BJ 1 
HETATM 4094 O O6  . LIG_BJ BJ 51 .   ? 5.414   14.898  18.600  1.00 1.16  1   BJ 1 
HETATM 4095 C C22 . LIG_BJ BJ 51 .   ? 5.637   15.706  19.517  1.00 1.19  1   BJ 1 
HETATM 4096 C C23 . LIG_BJ BJ 51 .   ? 6.960   15.629  19.916  1.00 1.14  1   BJ 1 
HETATM 4097 N N1  . LIG_BJ BJ 51 .   ? 7.204   15.799  21.162  1.00 1.53  1   BJ 1 
HETATM 4098 O O7  . LIG_BJ BJ 51 .   ? 4.479   17.046  14.337  1.00 1.22  1   BJ 1 
HETATM 4099 C C24 . LIG_BJ BJ 51 .   ? 5.119   18.087  14.662  1.00 1.19  1   BJ 1 
HETATM 4100 O O8  . LIG_BJ BJ 51 .   ? 6.189   18.034  15.195  1.00 1.22  1   BJ 1 
HETATM 4101 C C25 . LIG_BJ BJ 51 .   ? 4.465   19.277  14.350  1.00 1.19  1   BJ 1 
HETATM 4102 C C26 . LIG_BJ BJ 51 .   ? 5.278   20.348  14.153  1.00 1.37  1   BJ 1 
HETATM 4103 C C27 . LIG_BJ BJ 51 .   ? 5.975   20.351  12.997  1.00 1.39  1   BJ 1 
HETATM 4104 C C28 . LIG_BJ BJ 51 .   ? 6.479   21.426  12.551  1.00 1.26  1   BJ 1 
HETATM 4105 C C29 . LIG_BJ BJ 51 .   ? 7.327   21.564  11.656  1.00 1.29  1   BJ 1 
HETATM 4106 C C30 . LIG_BJ BJ 51 .   ? 7.842   22.502  11.165  1.00 1.33  1   BJ 1 
HETATM 4107 C C31 . LIG_BJ BJ 51 .   ? 8.766   22.903  10.686  1.00 1.31  1   BJ 1 
HETATM 4108 C C32 . LIG_BJ BJ 51 .   ? 9.662   23.530  10.549  1.00 1.39  1   BJ 1 
HETATM 4109 C C33 . LIG_BJ BJ 51 .   ? 10.670  23.917  10.712  1.00 1.33  1   BJ 1 
HETATM 4110 C C34 . LIG_BJ BJ 51 .   ? 11.590  24.484  10.427  1.00 1.32  1   BJ 1 
HETATM 4111 C C35 . LIG_BJ BJ 51 .   ? 12.006  24.964  9.648   1.00 1.39  1   BJ 1 
HETATM 4112 C C36 . LIG_BJ BJ 51 .   ? 12.678  25.320  8.800   1.00 1.49  1   BJ 1 
HETATM 4113 C C37 . LIG_BJ BJ 51 .   ? 12.426  25.482  7.626   1.00 1.51  1   BJ 1 
HETATM 4114 C C38 . LIG_BJ BJ 51 .   ? 13.030  25.650  6.626   1.00 1.35  1   BJ 1 
HETATM 4115 C C39 . LIG_BJ BJ 51 .   ? 12.714  25.789  5.422   1.00 1.34  1   BJ 1 
HETATM 4116 C C40 . LIG_BJ BJ 51 .   ? 13.488  25.982  4.488   1.00 1.29  1   BJ 1 
HETATM 4117 C C41 . LIG_BJ BJ 51 .   ? 13.322  26.203  3.278   1.00 1.34  1   BJ 1 
HETATM 4118 C C1  . LIG_DJ DJ 52 .   ? 2.031   6.850   -22.729 1.00 1.33  1   DJ 1 
HETATM 4119 C C2  . LIG_DJ DJ 52 .   ? 1.338   6.590   -21.645 1.00 1.33  1   DJ 1 
HETATM 4120 C C3  . LIG_DJ DJ 52 .   ? 1.646   5.828   -20.710 1.00 1.35  1   DJ 1 
HETATM 4121 C C4  . LIG_DJ DJ 52 .   ? 1.198   5.416   -19.659 1.00 1.35  1   DJ 1 
HETATM 4122 C C5  . LIG_DJ DJ 52 .   ? 1.499   4.646   -18.782 1.00 1.38  1   DJ 1 
HETATM 4123 C C6  . LIG_DJ DJ 52 .   ? 1.166   4.096   -17.811 1.00 1.30  1   DJ 1 
HETATM 4124 C C7  . LIG_DJ DJ 52 .   ? 1.252   3.357   -16.977 1.00 1.33  1   DJ 1 
HETATM 4125 C C8  . LIG_DJ DJ 52 .   ? 0.929   2.727   -16.116 1.00 1.42  1   DJ 1 
HETATM 4126 C C9  . LIG_DJ DJ 52 .   ? 0.793   2.060   -15.266 1.00 1.53  1   DJ 1 
HETATM 4127 C C10 . LIG_DJ DJ 52 .   ? 0.556   1.387   -14.407 1.00 1.61  1   DJ 1 
HETATM 4128 C C11 . LIG_DJ DJ 52 .   ? 0.320   0.812   -13.527 1.00 1.58  1   DJ 1 
HETATM 4129 C C12 . LIG_DJ DJ 52 .   ? -0.028  0.053   -12.762 1.00 1.75  1   DJ 1 
HETATM 4130 C C13 . LIG_DJ DJ 52 .   ? -0.386  -0.423  -11.788 1.00 1.58  1   DJ 1 
HETATM 4131 C C14 . LIG_DJ DJ 52 .   ? -0.877  -1.375  -11.275 1.00 1.72  1   DJ 1 
HETATM 4132 C C15 . LIG_DJ DJ 52 .   ? -1.319  -1.725  -10.253 1.00 1.90  1   DJ 1 
HETATM 4133 C C16 . LIG_DJ DJ 52 .   ? -1.920  -2.788  -9.863  1.00 2.03  1   DJ 1 
HETATM 4134 C C17 . LIG_DJ DJ 52 .   ? -2.196  -2.954  -8.645  1.00 1.68  1   DJ 1 
HETATM 4135 C C18 . LIG_DJ DJ 52 .   ? -2.876  -4.022  -8.213  1.00 1.87  1   DJ 1 
HETATM 4136 O O1  . LIG_DJ DJ 52 .   ? -3.844  -4.439  -8.735  1.00 2.56  1   DJ 1 
HETATM 4137 O O2  . LIG_DJ DJ 52 .   ? -2.377  -4.453  -7.216  1.00 2.35  1   DJ 1 
HETATM 4138 C C19 . LIG_DJ DJ 52 .   ? -2.979  -5.483  -6.622  1.00 2.30  1   DJ 1 
HETATM 4139 C C20 . LIG_DJ DJ 52 .   ? -2.106  -5.966  -5.547  1.00 3.13  1   DJ 1 
HETATM 4140 C C21 . LIG_DJ DJ 52 .   ? -2.562  -7.291  -5.043  1.00 3.29  1   DJ 1 
HETATM 4141 O O3  . LIG_DJ DJ 52 .   ? -3.930  -7.380  -5.083  1.00 3.73  1   DJ 1 
HETATM 4142 P P1  . LIG_DJ DJ 52 .   ? -4.687  -8.677  -4.571  1.00 4.61  1   DJ 1 
HETATM 4143 O O4  . LIG_DJ DJ 52 .   ? -4.813  -9.514  -5.741  1.00 4.79  1   DJ 1 
HETATM 4144 O O5  . LIG_DJ DJ 52 .   ? -5.922  -8.191  -4.045  1.00 5.20  1   DJ 1 
HETATM 4145 O O6  . LIG_DJ DJ 52 .   ? -3.827  -9.279  -3.572  1.00 5.69  1   DJ 1 
HETATM 4146 O O7  . LIG_DJ DJ 52 .   ? -2.188  -5.044  -4.514  1.00 3.00  1   DJ 1 
HETATM 4147 C C22 . LIG_DJ DJ 52 .   ? -1.088  -4.689  -3.952  1.00 3.34  1   DJ 1 
HETATM 4148 O O8  . LIG_DJ DJ 52 .   ? -0.906  -4.964  -2.814  1.00 2.41  1   DJ 1 
HETATM 4149 C C23 . LIG_DJ DJ 52 .   ? -0.201  -3.966  -4.786  1.00 2.64  1   DJ 1 
HETATM 4150 C C24 . LIG_DJ DJ 52 .   ? 0.815   -3.278  -4.194  1.00 3.00  1   DJ 1 
HETATM 4151 C C25 . LIG_DJ DJ 52 .   ? 1.756   -2.755  -4.987  1.00 3.01  1   DJ 1 
HETATM 4152 C C26 . LIG_DJ DJ 52 .   ? 1.397   -1.935  -5.986  1.00 3.23  1   DJ 1 
HETATM 4153 C C27 . LIG_DJ DJ 52 .   ? 2.186   -1.135  -6.535  1.00 2.66  1   DJ 1 
HETATM 4154 C C28 . LIG_DJ DJ 52 .   ? 2.131   -0.431  -7.486  1.00 1.91  1   DJ 1 
HETATM 4155 C C29 . LIG_DJ DJ 52 .   ? 2.392   0.588   -7.978  1.00 1.89  1   DJ 1 
HETATM 4156 C C30 . LIG_DJ DJ 52 .   ? 2.347   1.294   -8.869  1.00 1.78  1   DJ 1 
HETATM 4157 C C31 . LIG_DJ DJ 52 .   ? 2.508   2.275   -9.425  1.00 1.77  1   DJ 1 
HETATM 4158 C C32 . LIG_DJ DJ 52 .   ? 2.629   2.889   -10.372 1.00 1.84  1   DJ 1 
HETATM 4159 C C33 . LIG_DJ DJ 52 .   ? 2.975   3.897   -10.801 1.00 1.60  1   DJ 1 
HETATM 4160 C C34 . LIG_DJ DJ 52 .   ? 3.243   4.473   -11.757 1.00 1.48  1   DJ 1 
HETATM 4161 C C35 . LIG_DJ DJ 52 .   ? 3.788   5.492   -12.079 1.00 1.51  1   DJ 1 
HETATM 4162 C C36 . LIG_DJ DJ 52 .   ? 4.059   6.105   -13.021 1.00 1.56  1   DJ 1 
HETATM 4163 C C37 . LIG_DJ DJ 52 .   ? 4.602   7.120   -13.383 1.00 1.65  1   DJ 1 
HETATM 4164 C C38 . LIG_DJ DJ 52 .   ? 4.646   7.695   -14.435 1.00 1.42  1   DJ 1 
HETATM 4165 C C39 . LIG_DJ DJ 52 .   ? 5.128   8.783   -14.869 1.00 1.45  1   DJ 1 
#
