# 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-40dopc-10dope
#
_entry.id atrop9short-far-40dopc-10dope
#
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_AG ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_AH ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_AI ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_AJ ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_AK ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_AL ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_AM ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_AN ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_AO ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_AP ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_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_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 15:23:25)"
_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 29.81
_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 52.54 1 1   
A  SER    2   2 60.02 1 2   
A  ALA    3   2 64.48 1 3   
A  SER    4   2 71.88 1 4   
A  LYS    5   2 71.87 1 5   
A  PHE    6   2 79.81 1 6   
A  ILE    7   2 84.72 1 7   
A  LYS    8   2 86.72 1 8   
A  CYS    9   2 88.67 1 9   
A  VAL    10  2 86.96 1 10  
A  THR    11  2 84.48 1 11  
A  VAL    12  2 85.81 1 12  
A  GLY    13  2 87.16 1 13  
A  ASP    14  2 85.09 1 14  
A  GLY    15  2 85.11 1 15  
A  ALA    16  2 83.83 1 16  
A  VAL    17  2 83.93 1 17  
A  GLY    18  2 86.16 1 18  
A  LYS    19  2 82.62 1 19  
A  THR    20  2 82.42 1 20  
A  CYS    21  2 85.57 1 21  
A  MET    22  2 85.67 1 22  
A  LEU    23  2 84.55 1 23  
A  ILE    24  2 82.47 1 24  
A  CYS    25  2 85.32 1 25  
A  TYR    26  2 84.52 1 26  
A  THR    27  2 81.23 1 27  
A  SER    28  2 80.74 1 28  
A  ASN    29  2 75.70 1 29  
A  LYS    30  2 71.17 1 30  
A  PHE    31  2 72.71 1 31  
A  PRO    32  2 78.12 1 32  
A  THR    33  2 73.98 1 33  
A  ASP    34  2 72.25 1 34  
A  TYR    35  2 65.92 1 35  
A  ILE    36  2 73.05 1 36  
A  PRO    37  2 77.02 1 37  
A  THR    38  2 71.37 1 38  
A  VAL    39  2 70.76 1 39  
A  PHE    40  2 69.85 1 40  
A  ASP    41  2 72.57 1 41  
A  ASN    42  2 74.21 1 42  
A  PHE    43  2 72.17 1 43  
A  SER    44  2 78.50 1 44  
A  ALA    45  2 83.76 1 45  
A  ASN    46  2 80.91 1 46  
A  VAL    47  2 82.67 1 47  
A  ALA    48  2 84.73 1 48  
A  VAL    49  2 79.24 1 49  
A  ASP    50  2 76.18 1 50  
A  GLY    51  2 82.46 1 51  
A  GLN    52  2 76.07 1 52  
A  ILE    53  2 79.03 1 53  
A  VAL    54  2 82.74 1 54  
A  ASN    55  2 82.55 1 55  
A  LEU    56  2 86.03 1 56  
A  GLY    57  2 89.93 1 57  
A  LEU    58  2 85.41 1 58  
A  TRP    59  2 79.85 1 59  
A  ASP    60  2 81.13 1 60  
A  THR    61  2 79.65 1 61  
A  ALA    62  2 78.89 1 62  
A  GLY    63  2 78.07 1 63  
A  GLN    64  2 71.14 1 64  
A  GLU    65  2 69.40 1 65  
A  ASP    66  2 73.16 1 66  
A  TYR    67  2 70.62 1 67  
A  SER    68  2 81.30 1 68  
A  ARG    69  2 72.64 1 69  
A  LEU    70  2 79.57 1 70  
A  ARG    71  2 78.72 1 71  
A  PRO    72  2 86.04 1 72  
A  LEU    73  2 82.74 1 73  
A  SER    74  2 84.05 1 74  
A  TYR    75  2 83.90 1 75  
A  ARG    76  2 74.48 1 76  
A  GLY    77  2 88.73 1 77  
A  ALA    78  2 88.32 1 78  
A  ASP    79  2 86.40 1 79  
A  ILE    80  2 87.29 1 80  
A  PHE    81  2 88.31 1 81  
A  VAL    82  2 88.80 1 82  
A  LEU    83  2 88.54 1 83  
A  ALA    84  2 91.10 1 84  
A  PHE    85  2 89.02 1 85  
A  SER    86  2 89.53 1 86  
A  LEU    87  2 89.18 1 87  
A  ILE    88  2 83.57 1 88  
A  SER    89  2 87.79 1 89  
A  LYS    90  2 81.18 1 90  
A  ALA    91  2 90.20 1 91  
A  SER    92  2 88.41 1 92  
A  TYR    93  2 89.23 1 93  
A  GLU    94  2 86.10 1 94  
A  ASN    95  2 86.47 1 95  
A  VAL    96  2 88.33 1 96  
A  LEU    97  2 86.33 1 97  
A  LYS    98  2 82.31 1 98  
A  LYS    99  2 83.39 1 99  
A  TRP    100 2 87.16 1 100 
A  MET    101 2 88.17 1 101 
A  PRO    102 2 90.19 1 102 
A  GLU    103 2 85.25 1 103 
A  LEU    104 2 86.79 1 104 
A  ARG    105 2 77.25 1 105 
A  ARG    106 2 77.85 1 106 
A  PHE    107 2 82.03 1 107 
A  ALA    108 2 87.77 1 108 
A  PRO    109 2 85.09 1 109 
A  ASN    110 2 81.09 1 110 
A  VAL    111 2 86.97 1 111 
A  PRO    112 2 89.74 1 112 
A  ILE    113 2 87.61 1 113 
A  VAL    114 2 89.03 1 114 
A  LEU    115 2 89.82 1 115 
A  VAL    116 2 88.57 1 116 
A  GLY    117 2 91.80 1 117 
A  THR    118 2 87.08 1 118 
A  LYS    119 2 84.33 1 119 
A  LEU    120 2 87.68 1 120 
A  ASP    121 2 83.53 1 121 
A  LEU    122 2 83.63 1 122 
A  ARG    123 2 82.43 1 123 
A  ASP    124 2 78.47 1 124 
A  ASP    125 2 76.99 1 125 
A  LYS    126 2 68.28 1 126 
A  GLY    127 2 77.85 1 127 
A  TYR    128 2 70.19 1 128 
A  LEU    129 2 72.73 1 129 
A  ALA    130 2 75.89 1 130 
A  ASP    131 2 72.21 1 131 
A  HIS    132 2 69.86 1 132 
A  THR    133 2 72.90 1 133 
A  ASN    134 2 75.50 1 134 
A  VAL    135 2 83.65 1 135 
A  ILE    136 2 86.54 1 136 
A  THR    137 2 85.56 1 137 
A  SER    138 2 88.56 1 138 
A  THR    139 2 87.71 1 139 
A  GLN    140 2 86.71 1 140 
A  GLY    141 2 91.71 1 141 
A  GLU    142 2 86.22 1 142 
A  GLU    143 2 83.32 1 143 
A  LEU    144 2 89.46 1 144 
A  ARG    145 2 86.33 1 145 
A  LYS    146 2 85.12 1 146 
A  GLN    147 2 85.00 1 147 
A  ILE    148 2 86.52 1 148 
A  GLY    149 2 89.84 1 149 
A  ALA    150 2 90.81 1 150 
A  ALA    151 2 90.96 1 151 
A  ALA    152 2 91.99 1 152 
A  TYR    153 2 89.68 1 153 
A  ILE    154 2 87.12 1 154 
A  GLU    155 2 89.36 1 155 
A  CYS    156 2 89.93 1 156 
A  SER    157 2 88.87 1 157 
A  SER    158 2 86.48 1 158 
A  LYS    159 2 80.55 1 159 
A  THR    160 2 83.84 1 160 
A  GLN    161 2 80.85 1 161 
A  GLN    162 2 81.94 1 162 
A  ASN    163 2 86.22 1 163 
A  VAL    164 2 87.05 1 164 
A  LYS    165 2 80.71 1 165 
A  ALA    166 2 91.10 1 166 
A  VAL    167 2 87.75 1 167 
A  PHE    168 2 85.68 1 168 
A  ASP    169 2 85.71 1 169 
A  THR    170 2 87.08 1 170 
A  ALA    171 2 90.48 1 171 
A  ILE    172 2 86.25 1 172 
A  LYS    173 2 82.48 1 173 
A  VAL    174 2 86.89 1 174 
A  VAL    175 2 85.38 1 175 
A  LEU    176 2 81.55 1 176 
A  GLN    177 2 71.16 1 177 
A  PRO    178 2 65.94 1 178 
A  PRO    179 2 59.39 1 179 
A  ARG    180 2 46.86 1 180 
A  ARG    181 2 46.01 1 181 
A  LYS    182 2 46.87 1 182 
A  GLU    183 2 48.48 1 183 
A  VAL    184 2 53.05 1 184 
A  PRO    185 2 56.23 1 185 
A  ARG    186 2 50.42 1 186 
A  ARG    187 2 47.00 1 187 
A  ARG    188 2 44.86 1 188 
A  LYS    189 2 47.01 1 189 
A  ASN    190 2 54.57 1 190 
A  HIS    191 2 50.57 1 191 
A  ARG    192 2 45.62 1 192 
A  ARG    193 2 47.19 1 193 
A  SER    194 2 58.82 1 194 
A  GLY    195 2 63.20 1 195 
A  CYS    196 2 64.55 1 196 
B  FAR    .   2 11.08 1 197 
C  LIG_C  .   2 1.56  1 198 
D  LIG_D  .   2 1.53  1 199 
E  LIG_E  .   2 2.18  1 200 
F  LIG_F  .   2 1.54  1 201 
G  LIG_G  .   2 1.55  1 202 
H  LIG_H  .   2 1.75  1 203 
I  LIG_I  .   2 2.06  1 204 
J  LIG_J  .   2 1.55  1 205 
K  LIG_K  .   2 1.68  1 206 
L  LIG_L  .   2 1.55  1 207 
M  LIG_M  .   2 2.04  1 208 
N  LIG_N  .   2 3.73  1 209 
O  LIG_O  .   2 1.54  1 210 
P  LIG_P  .   2 1.52  1 211 
Q  LIG_Q  .   2 1.57  1 212 
R  LIG_R  .   2 1.66  1 213 
S  LIG_S  .   2 1.56  1 214 
T  LIG_T  .   2 2.37  1 215 
U  LIG_U  .   2 2.48  1 216 
V  LIG_V  .   2 1.55  1 217 
W  LIG_W  .   2 1.55  1 218 
X  LIG_X  .   2 1.62  1 219 
Y  LIG_Y  .   2 1.54  1 220 
Z  LIG_Z  .   2 1.66  1 221 
AA LIG_AA .   2 1.56  1 222 
BA LIG_BA .   2 2.31  1 223 
AB LIG_AB .   2 1.57  1 224 
BB LIG_BB .   2 3.66  1 225 
AC LIG_AC .   2 1.53  1 226 
BC LIG_BC .   2 1.53  1 227 
AD LIG_AD .   2 1.56  1 228 
BD LIG_BD .   2 1.31  1 229 
AE LIG_AE .   2 1.51  1 230 
BE LIG_BE .   2 1.56  1 231 
AF LIG_AF .   2 1.55  1 232 
BF LIG_BF .   2 1.34  1 233 
AG LIG_AG .   2 1.57  1 234 
BG LIG_BG .   2 1.56  1 235 
AH LIG_AH .   2 1.55  1 236 
BH LIG_BH .   2 1.30  1 237 
AI LIG_AI .   2 2.05  1 238 
BI LIG_BI .   2 2.16  1 239 
AJ LIG_AJ .   2 1.69  1 240 
BJ LIG_BJ .   2 1.36  1 241 
AK LIG_AK .   2 1.55  1 242 
AL LIG_AL .   2 1.53  1 243 
AM LIG_AM .   2 1.31  1 244 
AN LIG_AN .   2 4.29  1 245 
AO LIG_AO .   2 1.55  1 246 
AP LIG_AP .   2 2.80  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 
AB . 29 
BB . 30 
AC . 31 
BC . 32 
AD . 33 
BD . 34 
AE . 35 
BE . 36 
AF . 37 
BF . 38 
AG . 39 
BG . 40 
AH . 41 
BH . 42 
AI . 43 
BI . 44 
AJ . 45 
BJ . 46 
AK . 47 
AL . 48 
AM . 49 
AN . 50 
AO . 51 
AP . 52 
#
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 
AB 1 29 LIG_AB . 1 AB 
BB 1 30 LIG_BB . 1 BB 
AC 1 31 LIG_AC . 1 AC 
BC 1 32 LIG_BC . 1 BC 
AD 1 33 LIG_AD . 1 AD 
BD 1 34 LIG_BD . 1 BD 
AE 1 35 LIG_AE . 1 AE 
BE 1 36 LIG_BE . 1 BE 
AF 1 37 LIG_AF . 1 AF 
BF 1 38 LIG_BF . 1 BF 
AG 1 39 LIG_AG . 1 AG 
BG 1 40 LIG_BG . 1 BG 
AH 1 41 LIG_AH . 1 AH 
BH 1 42 LIG_BH . 1 BH 
AI 1 43 LIG_AI . 1 AI 
BI 1 44 LIG_BI . 1 BI 
AJ 1 45 LIG_AJ . 1 AJ 
BJ 1 46 LIG_BJ . 1 BJ 
AK 1 47 LIG_AK . 1 AK 
AL 1 48 LIG_AL . 1 AL 
AM 1 49 LIG_AM . 1 AM 
AN 1 50 LIG_AN . 1 AN 
AO 1 51 LIG_AO . 1 AO 
AP 1 52 LIG_AP . 1 AP 
#
loop_
_pdbx_poly_seq_scheme.asym_id
_pdbx_poly_seq_scheme.auth_seq_num
_pdbx_poly_seq_scheme.entity_id
_pdbx_poly_seq_scheme.hetero
_pdbx_poly_seq_scheme.mon_id
_pdbx_poly_seq_scheme.pdb_ins_code
_pdbx_poly_seq_scheme.pdb_seq_num
_pdbx_poly_seq_scheme.pdb_strand_id
_pdbx_poly_seq_scheme.seq_id
A 1   1 n MET . 1   A 1   
A 2   1 n SER . 2   A 2   
A 3   1 n ALA . 3   A 3   
A 4   1 n SER . 4   A 4   
A 5   1 n LYS . 5   A 5   
A 6   1 n PHE . 6   A 6   
A 7   1 n ILE . 7   A 7   
A 8   1 n LYS . 8   A 8   
A 9   1 n CYS . 9   A 9   
A 10  1 n VAL . 10  A 10  
A 11  1 n THR . 11  A 11  
A 12  1 n VAL . 12  A 12  
A 13  1 n GLY . 13  A 13  
A 14  1 n ASP . 14  A 14  
A 15  1 n GLY . 15  A 15  
A 16  1 n ALA . 16  A 16  
A 17  1 n VAL . 17  A 17  
A 18  1 n GLY . 18  A 18  
A 19  1 n LYS . 19  A 19  
A 20  1 n THR . 20  A 20  
A 21  1 n CYS . 21  A 21  
A 22  1 n MET . 22  A 22  
A 23  1 n LEU . 23  A 23  
A 24  1 n ILE . 24  A 24  
A 25  1 n CYS . 25  A 25  
A 26  1 n TYR . 26  A 26  
A 27  1 n THR . 27  A 27  
A 28  1 n SER . 28  A 28  
A 29  1 n ASN . 29  A 29  
A 30  1 n LYS . 30  A 30  
A 31  1 n PHE . 31  A 31  
A 32  1 n PRO . 32  A 32  
A 33  1 n THR . 33  A 33  
A 34  1 n ASP . 34  A 34  
A 35  1 n TYR . 35  A 35  
A 36  1 n ILE . 36  A 36  
A 37  1 n PRO . 37  A 37  
A 38  1 n THR . 38  A 38  
A 39  1 n VAL . 39  A 39  
A 40  1 n PHE . 40  A 40  
A 41  1 n ASP . 41  A 41  
A 42  1 n ASN . 42  A 42  
A 43  1 n PHE . 43  A 43  
A 44  1 n SER . 44  A 44  
A 45  1 n ALA . 45  A 45  
A 46  1 n ASN . 46  A 46  
A 47  1 n VAL . 47  A 47  
A 48  1 n ALA . 48  A 48  
A 49  1 n VAL . 49  A 49  
A 50  1 n ASP . 50  A 50  
A 51  1 n GLY . 51  A 51  
A 52  1 n GLN . 52  A 52  
A 53  1 n ILE . 53  A 53  
A 54  1 n VAL . 54  A 54  
A 55  1 n ASN . 55  A 55  
A 56  1 n LEU . 56  A 56  
A 57  1 n GLY . 57  A 57  
A 58  1 n LEU . 58  A 58  
A 59  1 n TRP . 59  A 59  
A 60  1 n ASP . 60  A 60  
A 61  1 n THR . 61  A 61  
A 62  1 n ALA . 62  A 62  
A 63  1 n GLY . 63  A 63  
A 64  1 n GLN . 64  A 64  
A 65  1 n GLU . 65  A 65  
A 66  1 n ASP . 66  A 66  
A 67  1 n TYR . 67  A 67  
A 68  1 n SER . 68  A 68  
A 69  1 n ARG . 69  A 69  
A 70  1 n LEU . 70  A 70  
A 71  1 n ARG . 71  A 71  
A 72  1 n PRO . 72  A 72  
A 73  1 n LEU . 73  A 73  
A 74  1 n SER . 74  A 74  
A 75  1 n TYR . 75  A 75  
A 76  1 n ARG . 76  A 76  
A 77  1 n GLY . 77  A 77  
A 78  1 n ALA . 78  A 78  
A 79  1 n ASP . 79  A 79  
A 80  1 n ILE . 80  A 80  
A 81  1 n PHE . 81  A 81  
A 82  1 n VAL . 82  A 82  
A 83  1 n LEU . 83  A 83  
A 84  1 n ALA . 84  A 84  
A 85  1 n PHE . 85  A 85  
A 86  1 n SER . 86  A 86  
A 87  1 n LEU . 87  A 87  
A 88  1 n ILE . 88  A 88  
A 89  1 n SER . 89  A 89  
A 90  1 n LYS . 90  A 90  
A 91  1 n ALA . 91  A 91  
A 92  1 n SER . 92  A 92  
A 93  1 n TYR . 93  A 93  
A 94  1 n GLU . 94  A 94  
A 95  1 n ASN . 95  A 95  
A 96  1 n VAL . 96  A 96  
A 97  1 n LEU . 97  A 97  
A 98  1 n LYS . 98  A 98  
A 99  1 n LYS . 99  A 99  
A 100 1 n TRP . 100 A 100 
A 101 1 n MET . 101 A 101 
A 102 1 n PRO . 102 A 102 
A 103 1 n GLU . 103 A 103 
A 104 1 n LEU . 104 A 104 
A 105 1 n ARG . 105 A 105 
A 106 1 n ARG . 106 A 106 
A 107 1 n PHE . 107 A 107 
A 108 1 n ALA . 108 A 108 
A 109 1 n PRO . 109 A 109 
A 110 1 n ASN . 110 A 110 
A 111 1 n VAL . 111 A 111 
A 112 1 n PRO . 112 A 112 
A 113 1 n ILE . 113 A 113 
A 114 1 n VAL . 114 A 114 
A 115 1 n LEU . 115 A 115 
A 116 1 n VAL . 116 A 116 
A 117 1 n GLY . 117 A 117 
A 118 1 n THR . 118 A 118 
A 119 1 n LYS . 119 A 119 
A 120 1 n LEU . 120 A 120 
A 121 1 n ASP . 121 A 121 
A 122 1 n LEU . 122 A 122 
A 123 1 n ARG . 123 A 123 
A 124 1 n ASP . 124 A 124 
A 125 1 n ASP . 125 A 125 
A 126 1 n LYS . 126 A 126 
A 127 1 n GLY . 127 A 127 
A 128 1 n TYR . 128 A 128 
A 129 1 n LEU . 129 A 129 
A 130 1 n ALA . 130 A 130 
A 131 1 n ASP . 131 A 131 
A 132 1 n HIS . 132 A 132 
A 133 1 n THR . 133 A 133 
A 134 1 n ASN . 134 A 134 
A 135 1 n VAL . 135 A 135 
A 136 1 n ILE . 136 A 136 
A 137 1 n THR . 137 A 137 
A 138 1 n SER . 138 A 138 
A 139 1 n THR . 139 A 139 
A 140 1 n GLN . 140 A 140 
A 141 1 n GLY . 141 A 141 
A 142 1 n GLU . 142 A 142 
A 143 1 n GLU . 143 A 143 
A 144 1 n LEU . 144 A 144 
A 145 1 n ARG . 145 A 145 
A 146 1 n LYS . 146 A 146 
A 147 1 n GLN . 147 A 147 
A 148 1 n ILE . 148 A 148 
A 149 1 n GLY . 149 A 149 
A 150 1 n ALA . 150 A 150 
A 151 1 n ALA . 151 A 151 
A 152 1 n ALA . 152 A 152 
A 153 1 n TYR . 153 A 153 
A 154 1 n ILE . 154 A 154 
A 155 1 n GLU . 155 A 155 
A 156 1 n CYS . 156 A 156 
A 157 1 n SER . 157 A 157 
A 158 1 n SER . 158 A 158 
A 159 1 n LYS . 159 A 159 
A 160 1 n THR . 160 A 160 
A 161 1 n GLN . 161 A 161 
A 162 1 n GLN . 162 A 162 
A 163 1 n ASN . 163 A 163 
A 164 1 n VAL . 164 A 164 
A 165 1 n LYS . 165 A 165 
A 166 1 n ALA . 166 A 166 
A 167 1 n VAL . 167 A 167 
A 168 1 n PHE . 168 A 168 
A 169 1 n ASP . 169 A 169 
A 170 1 n THR . 170 A 170 
A 171 1 n ALA . 171 A 171 
A 172 1 n ILE . 172 A 172 
A 173 1 n LYS . 173 A 173 
A 174 1 n VAL . 174 A 174 
A 175 1 n VAL . 175 A 175 
A 176 1 n LEU . 176 A 176 
A 177 1 n GLN . 177 A 177 
A 178 1 n PRO . 178 A 178 
A 179 1 n PRO . 179 A 179 
A 180 1 n ARG . 180 A 180 
A 181 1 n ARG . 181 A 181 
A 182 1 n LYS . 182 A 182 
A 183 1 n GLU . 183 A 183 
A 184 1 n VAL . 184 A 184 
A 185 1 n PRO . 185 A 185 
A 186 1 n ARG . 186 A 186 
A 187 1 n ARG . 187 A 187 
A 188 1 n ARG . 188 A 188 
A 189 1 n LYS . 189 A 189 
A 190 1 n ASN . 190 A 190 
A 191 1 n HIS . 191 A 191 
A 192 1 n ARG . 192 A 192 
A 193 1 n ARG . 193 A 193 
A 194 1 n SER . 194 A 194 
A 195 1 n GLY . 195 A 195 
A 196 1 n CYS . 196 A 196 
#
_software.classification other
_software.date           ?
_software.description    "Structure prediction"
_software.name           AlphaFold
_software.pdbx_ordinal   1
_software.type           package
_software.version        "AlphaFold-beta-20231127 (25b635fa27adb4b12654a9dc6367a96b1463ec03aa886066ffc6cf0691bbe007)"
#
loop_
_struct_asym.entity_id
_struct_asym.id
1  A  
2  B  
3  C  
4  D  
5  E  
6  F  
7  G  
8  H  
9  I  
10 J  
11 K  
12 L  
13 M  
14 N  
15 O  
16 P  
17 Q  
18 R  
19 S  
20 T  
21 U  
22 V  
23 W  
24 X  
25 Y  
26 Z  
27 AA 
28 BA 
29 AB 
30 BB 
31 AC 
32 BC 
33 AD 
34 BD 
35 AE 
36 BE 
37 AF 
38 BF 
39 AG 
40 BG 
41 AH 
42 BH 
43 AI 
44 BI 
45 AJ 
46 BJ 
47 AK 
48 AL 
49 AM 
50 AN 
51 AO 
52 AP 
#
_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   ? 36.287  4.826   8.983   1.00 54.79 1   A  1 
ATOM   2    C CA  . MET    A  1  1   ? 35.662  4.352   7.739   1.00 57.13 1   A  1 
ATOM   3    C C   . MET    A  1  1   ? 34.970  5.550   7.133   1.00 56.38 1   A  1 
ATOM   4    O O   . MET    A  1  1   ? 34.209  6.191   7.844   1.00 51.24 1   A  1 
ATOM   5    C CB  . MET    A  1  1   ? 34.651  3.233   8.024   1.00 53.78 1   A  1 
ATOM   6    C CG  . MET    A  1  1   ? 35.348  1.915   8.377   1.00 52.11 1   A  1 
ATOM   7    S SD  . MET    A  1  1   ? 34.211  0.659   8.979   1.00 49.91 1   A  1 
ATOM   8    C CE  . MET    A  1  1   ? 35.282  -0.796  8.991   1.00 45.00 1   A  1 
ATOM   9    N N   . SER    A  1  2   ? 35.310  5.903   5.927   1.00 61.61 2   A  1 
ATOM   10   C CA  . SER    A  1  2   ? 34.628  7.006   5.260   1.00 63.74 2   A  1 
ATOM   11   C C   . SER    A  1  2   ? 33.159  6.638   5.119   1.00 65.53 2   A  1 
ATOM   12   O O   . SER    A  1  2   ? 32.854  5.492   4.789   1.00 60.35 2   A  1 
ATOM   13   C CB  . SER    A  1  2   ? 35.257  7.288   3.893   1.00 57.92 2   A  1 
ATOM   14   O OG  . SER    A  1  2   ? 35.374  6.098   3.151   1.00 50.96 2   A  1 
ATOM   15   N N   . ALA    A  1  3   ? 32.284  7.561   5.418   1.00 64.21 3   A  1 
ATOM   16   C CA  . ALA    A  1  3   ? 30.858  7.295   5.303   1.00 66.18 3   A  1 
ATOM   17   C C   . ALA    A  1  3   ? 30.563  6.887   3.853   1.00 68.30 3   A  1 
ATOM   18   O O   . ALA    A  1  3   ? 30.823  7.662   2.932   1.00 63.41 3   A  1 
ATOM   19   C CB  . ALA    A  1  3   ? 30.092  8.547   5.734   1.00 60.32 3   A  1 
ATOM   20   N N   . SER    A  1  4   ? 30.102  5.670   3.662   1.00 73.39 4   A  1 
ATOM   21   C CA  . SER    A  1  4   ? 29.779  5.163   2.339   1.00 75.43 4   A  1 
ATOM   22   C C   . SER    A  1  4   ? 28.687  6.033   1.736   1.00 78.10 4   A  1 
ATOM   23   O O   . SER    A  1  4   ? 27.672  6.304   2.378   1.00 73.51 4   A  1 
ATOM   24   C CB  . SER    A  1  4   ? 29.356  3.693   2.404   1.00 69.84 4   A  1 
ATOM   25   O OG  . SER    A  1  4   ? 28.319  3.505   3.340   1.00 60.99 4   A  1 
ATOM   26   N N   . LYS    A  1  5   ? 28.917  6.489   0.535   1.00 80.19 5   A  1 
ATOM   27   C CA  . LYS    A  1  5   ? 27.936  7.322   -0.140  1.00 82.63 5   A  1 
ATOM   28   C C   . LYS    A  1  5   ? 26.725  6.466   -0.485  1.00 84.64 5   A  1 
ATOM   29   O O   . LYS    A  1  5   ? 26.886  5.420   -1.099  1.00 81.50 5   A  1 
ATOM   30   C CB  . LYS    A  1  5   ? 28.591  7.955   -1.374  1.00 77.95 5   A  1 
ATOM   31   C CG  . LYS    A  1  5   ? 27.660  8.943   -2.071  1.00 69.02 5   A  1 
ATOM   32   C CD  . LYS    A  1  5   ? 28.325  9.518   -3.316  1.00 64.68 5   A  1 
ATOM   33   C CE  . LYS    A  1  5   ? 27.336  10.413  -4.050  1.00 56.05 5   A  1 
ATOM   34   N NZ  . LYS    A  1  5   ? 27.840  10.785  -5.387  1.00 50.20 5   A  1 
ATOM   35   N N   . PHE    A  1  6   ? 25.564  6.932   -0.119  1.00 86.62 6   A  1 
ATOM   36   C CA  . PHE    A  1  6   ? 24.328  6.304   -0.559  1.00 87.36 6   A  1 
ATOM   37   C C   . PHE    A  1  6   ? 23.983  6.780   -1.971  1.00 88.03 6   A  1 
ATOM   38   O O   . PHE    A  1  6   ? 24.062  7.975   -2.258  1.00 85.15 6   A  1 
ATOM   39   C CB  . PHE    A  1  6   ? 23.212  6.607   0.441   1.00 84.74 6   A  1 
ATOM   40   C CG  . PHE    A  1  6   ? 21.894  5.965   0.067   1.00 82.91 6   A  1 
ATOM   41   C CD1 . PHE    A  1  6   ? 20.885  6.723   -0.546  1.00 75.82 6   A  1 
ATOM   42   C CD2 . PHE    A  1  6   ? 21.683  4.597   0.305   1.00 74.41 6   A  1 
ATOM   43   C CE1 . PHE    A  1  6   ? 19.673  6.118   -0.907  1.00 71.44 6   A  1 
ATOM   44   C CE2 . PHE    A  1  6   ? 20.473  3.988   -0.057  1.00 70.32 6   A  1 
ATOM   45   C CZ  . PHE    A  1  6   ? 19.466  4.753   -0.662  1.00 71.16 6   A  1 
ATOM   46   N N   . ILE    A  1  7   ? 23.627  5.843   -2.819  1.00 87.75 7   A  1 
ATOM   47   C CA  . ILE    A  1  7   ? 23.208  6.105   -4.194  1.00 88.87 7   A  1 
ATOM   48   C C   . ILE    A  1  7   ? 21.831  5.494   -4.385  1.00 88.97 7   A  1 
ATOM   49   O O   . ILE    A  1  7   ? 21.675  4.282   -4.250  1.00 86.39 7   A  1 
ATOM   50   C CB  . ILE    A  1  7   ? 24.228  5.525   -5.195  1.00 87.72 7   A  1 
ATOM   51   C CG1 . ILE    A  1  7   ? 25.577  6.263   -5.056  1.00 81.46 7   A  1 
ATOM   52   C CG2 . ILE    A  1  7   ? 23.688  5.625   -6.631  1.00 80.34 7   A  1 
ATOM   53   C CD1 . ILE    A  1  7   ? 26.687  5.725   -5.953  1.00 76.24 7   A  1 
ATOM   54   N N   . LYS    A  1  8   ? 20.867  6.321   -4.736  1.00 89.49 8   A  1 
ATOM   55   C CA  . LYS    A  1  8   ? 19.529  5.863   -5.090  1.00 90.09 8   A  1 
ATOM   56   C C   . LYS    A  1  8   ? 19.437  5.654   -6.597  1.00 90.14 8   A  1 
ATOM   57   O O   . LYS    A  1  8   ? 19.402  6.625   -7.352  1.00 88.30 8   A  1 
ATOM   58   C CB  . LYS    A  1  8   ? 18.482  6.836   -4.538  1.00 88.67 8   A  1 
ATOM   59   C CG  . LYS    A  1  8   ? 17.066  6.416   -4.925  1.00 87.30 8   A  1 
ATOM   60   C CD  . LYS    A  1  8   ? 15.988  7.202   -4.175  1.00 85.28 8   A  1 
ATOM   61   C CE  . LYS    A  1  8   ? 14.623  6.693   -4.653  1.00 83.02 8   A  1 
ATOM   62   N NZ  . LYS    A  1  8   ? 13.486  7.232   -3.881  1.00 78.17 8   A  1 
ATOM   63   N N   . CYS    A  1  9   ? 19.365  4.413   -7.000  1.00 89.86 9   A  1 
ATOM   64   C CA  . CYS    A  1  9   ? 19.186  4.007   -8.387  1.00 90.24 9   A  1 
ATOM   65   C C   . CYS    A  1  9   ? 17.727  3.601   -8.619  1.00 89.98 9   A  1 
ATOM   66   O O   . CYS    A  1  9   ? 17.230  2.692   -7.958  1.00 87.50 9   A  1 
ATOM   67   C CB  . CYS    A  1  9   ? 20.166  2.869   -8.679  1.00 89.61 9   A  1 
ATOM   68   S SG  . CYS    A  1  9   ? 20.025  2.350   -10.407 1.00 84.85 9   A  1 
ATOM   69   N N   . VAL    A  1  10  ? 17.055  4.258   -9.534  1.00 90.40 10  A  1 
ATOM   70   C CA  . VAL    A  1  10  ? 15.650  3.972   -9.849  1.00 90.25 10  A  1 
ATOM   71   C C   . VAL    A  1  10  ? 15.557  3.396   -11.250 1.00 90.41 10  A  1 
ATOM   72   O O   . VAL    A  1  10  ? 15.984  4.031   -12.208 1.00 88.20 10  A  1 
ATOM   73   C CB  . VAL    A  1  10  ? 14.774  5.224   -9.711  1.00 88.95 10  A  1 
ATOM   74   C CG1 . VAL    A  1  10  ? 13.304  4.916   -9.996  1.00 79.76 10  A  1 
ATOM   75   C CG2 . VAL    A  1  10  ? 14.859  5.811   -8.302  1.00 80.78 10  A  1 
ATOM   76   N N   . THR    A  1  11  ? 14.969  2.225   -11.363 1.00 89.39 11  A  1 
ATOM   77   C CA  . THR    A  1  11  ? 14.782  1.562   -12.653 1.00 89.25 11  A  1 
ATOM   78   C C   . THR    A  1  11  ? 13.422  1.910   -13.242 1.00 88.51 11  A  1 
ATOM   79   O O   . THR    A  1  11  ? 12.390  1.742   -12.597 1.00 85.33 11  A  1 
ATOM   80   C CB  . THR    A  1  11  ? 14.965  0.048   -12.527 1.00 88.22 11  A  1 
ATOM   81   O OG1 . THR    A  1  11  ? 16.217  -0.215  -11.934 1.00 75.18 11  A  1 
ATOM   82   C CG2 . THR    A  1  11  ? 14.969  -0.652  -13.879 1.00 75.50 11  A  1 
ATOM   83   N N   . VAL    A  1  12  ? 13.430  2.368   -14.469 1.00 89.83 12  A  1 
ATOM   84   C CA  . VAL    A  1  12  ? 12.229  2.759   -15.213 1.00 90.15 12  A  1 
ATOM   85   C C   . VAL    A  1  12  ? 12.253  2.174   -16.625 1.00 89.92 12  A  1 
ATOM   86   O O   . VAL    A  1  12  ? 13.289  1.725   -17.101 1.00 86.14 12  A  1 
ATOM   87   C CB  . VAL    A  1  12  ? 12.059  4.289   -15.254 1.00 88.91 12  A  1 
ATOM   88   C CG1 . VAL    A  1  12  ? 11.928  4.875   -13.852 1.00 77.16 12  A  1 
ATOM   89   C CG2 . VAL    A  1  12  ? 13.204  5.000   -15.970 1.00 78.55 12  A  1 
ATOM   90   N N   . GLY    A  1  13  ? 11.107  2.177   -17.269 1.00 89.07 13  A  1 
ATOM   91   C CA  . GLY    A  1  13  ? 10.943  1.613   -18.604 1.00 88.68 13  A  1 
ATOM   92   C C   . GLY    A  1  13  ? 9.621   0.866   -18.722 1.00 88.28 13  A  1 
ATOM   93   O O   . GLY    A  1  13  ? 8.960   0.617   -17.712 1.00 82.59 13  A  1 
ATOM   94   N N   . ASP    A  1  14  ? 9.250   0.499   -19.923 1.00 88.58 14  A  1 
ATOM   95   C CA  . ASP    A  1  14  ? 7.956   -0.125  -20.197 1.00 88.28 14  A  1 
ATOM   96   C C   . ASP    A  1  14  ? 7.699   -1.413  -19.402 1.00 87.94 14  A  1 
ATOM   97   O O   . ASP    A  1  14  ? 8.605   -2.042  -18.845 1.00 83.86 14  A  1 
ATOM   98   C CB  . ASP    A  1  14  ? 7.811   -0.386  -21.705 1.00 86.82 14  A  1 
ATOM   99   C CG  . ASP    A  1  14  ? 7.412   0.846   -22.515 1.00 85.38 14  A  1 
ATOM   100  O OD1 . ASP    A  1  14  ? 7.338   1.949   -21.941 1.00 79.24 14  A  1 
ATOM   101  O OD2 . ASP    A  1  14  ? 7.148   0.677   -23.723 1.00 80.63 14  A  1 
ATOM   102  N N   . GLY    A  1  15  ? 6.432   -1.788  -19.355 1.00 86.78 15  A  1 
ATOM   103  C CA  . GLY    A  1  15  ? 6.054   -3.080  -18.817 1.00 85.79 15  A  1 
ATOM   104  C C   . GLY    A  1  15  ? 6.677   -4.222  -19.623 1.00 86.06 15  A  1 
ATOM   105  O O   . GLY    A  1  15  ? 6.942   -4.088  -20.812 1.00 81.82 15  A  1 
ATOM   106  N N   . ALA    A  1  16  ? 6.927   -5.335  -18.959 1.00 84.78 16  A  1 
ATOM   107  C CA  . ALA    A  1  16  ? 7.457   -6.553  -19.581 1.00 85.26 16  A  1 
ATOM   108  C C   . ALA    A  1  16  ? 8.844   -6.449  -20.257 1.00 85.95 16  A  1 
ATOM   109  O O   . ALA    A  1  16  ? 9.279   -7.416  -20.885 1.00 80.79 16  A  1 
ATOM   110  C CB  . ALA    A  1  16  ? 6.387   -7.156  -20.493 1.00 82.37 16  A  1 
ATOM   111  N N   . VAL    A  1  17  ? 9.555   -5.358  -20.092 1.00 87.55 17  A  1 
ATOM   112  C CA  . VAL    A  1  17  ? 10.946  -5.268  -20.578 1.00 87.93 17  A  1 
ATOM   113  C C   . VAL    A  1  17  ? 11.942  -6.061  -19.723 1.00 87.73 17  A  1 
ATOM   114  O O   . VAL    A  1  17  ? 13.053  -6.309  -20.169 1.00 82.97 17  A  1 
ATOM   115  C CB  . VAL    A  1  17  ? 11.429  -3.816  -20.745 1.00 87.03 17  A  1 
ATOM   116  C CG1 . VAL    A  1  17  ? 10.514  -3.030  -21.680 1.00 76.39 17  A  1 
ATOM   117  C CG2 . VAL    A  1  17  ? 11.578  -3.079  -19.421 1.00 77.88 17  A  1 
ATOM   118  N N   . GLY    A  1  18  ? 11.541  -6.481  -18.544 1.00 86.70 18  A  1 
ATOM   119  C CA  . GLY    A  1  18  ? 12.390  -7.289  -17.665 1.00 86.81 18  A  1 
ATOM   120  C C   . GLY    A  1  18  ? 13.133  -6.503  -16.582 1.00 87.84 18  A  1 
ATOM   121  O O   . GLY    A  1  18  ? 14.132  -6.999  -16.072 1.00 83.29 18  A  1 
ATOM   122  N N   . LYS    A  1  19  ? 12.659  -5.319  -16.222 1.00 86.66 19  A  1 
ATOM   123  C CA  . LYS    A  1  19  ? 13.250  -4.499  -15.147 1.00 86.75 19  A  1 
ATOM   124  C C   . LYS    A  1  19  ? 13.359  -5.263  -13.830 1.00 86.91 19  A  1 
ATOM   125  O O   . LYS    A  1  19  ? 14.443  -5.370  -13.268 1.00 84.16 19  A  1 
ATOM   126  C CB  . LYS    A  1  19  ? 12.414  -3.241  -14.904 1.00 84.90 19  A  1 
ATOM   127  C CG  . LYS    A  1  19  ? 12.302  -2.324  -16.122 1.00 82.21 19  A  1 
ATOM   128  C CD  . LYS    A  1  19  ? 11.625  -0.993  -15.759 1.00 80.49 19  A  1 
ATOM   129  C CE  . LYS    A  1  19  ? 10.195  -1.156  -15.214 1.00 77.06 19  A  1 
ATOM   130  N NZ  . LYS    A  1  19  ? 9.251   -1.567  -16.267 1.00 74.41 19  A  1 
ATOM   131  N N   . THR    A  1  20  ? 12.246  -5.822  -13.405 1.00 86.85 20  A  1 
ATOM   132  C CA  . THR    A  1  20  ? 12.175  -6.596  -12.164 1.00 86.27 20  A  1 
ATOM   133  C C   . THR    A  1  20  ? 13.086  -7.819  -12.208 1.00 86.89 20  A  1 
ATOM   134  O O   . THR    A  1  20  ? 13.837  -8.054  -11.267 1.00 84.93 20  A  1 
ATOM   135  C CB  . THR    A  1  20  ? 10.725  -6.999  -11.902 1.00 84.28 20  A  1 
ATOM   136  O OG1 . THR    A  1  20  ? 9.912   -5.851  -11.994 1.00 75.00 20  A  1 
ATOM   137  C CG2 . THR    A  1  20  ? 10.529  -7.624  -10.531 1.00 72.74 20  A  1 
ATOM   138  N N   . CYS    A  1  21  ? 13.106  -8.542  -13.315 1.00 87.83 21  A  1 
ATOM   139  C CA  . CYS    A  1  21  ? 14.023  -9.675  -13.479 1.00 87.74 21  A  1 
ATOM   140  C C   . CYS    A  1  21  ? 15.491  -9.240  -13.430 1.00 88.55 21  A  1 
ATOM   141  O O   . CYS    A  1  21  ? 16.305  -9.947  -12.854 1.00 86.61 21  A  1 
ATOM   142  C CB  . CYS    A  1  21  ? 13.757  -10.388 -14.804 1.00 85.53 21  A  1 
ATOM   143  S SG  . CYS    A  1  21  ? 12.111  -11.139 -14.817 1.00 77.17 21  A  1 
ATOM   144  N N   . MET    A  1  22  ? 15.803  -8.116  -14.010 1.00 87.65 22  A  1 
ATOM   145  C CA  . MET    A  1  22  ? 17.163  -7.576  -13.981 1.00 88.54 22  A  1 
ATOM   146  C C   . MET    A  1  22  ? 17.602  -7.247  -12.546 1.00 88.43 22  A  1 
ATOM   147  O O   . MET    A  1  22  ? 18.713  -7.600  -12.159 1.00 86.38 22  A  1 
ATOM   148  C CB  . MET    A  1  22  ? 17.229  -6.344  -14.889 1.00 88.07 22  A  1 
ATOM   149  C CG  . MET    A  1  22  ? 18.636  -5.765  -15.010 1.00 85.23 22  A  1 
ATOM   150  S SD  . MET    A  1  22  ? 18.738  -4.310  -16.089 1.00 84.74 22  A  1 
ATOM   151  C CE  . MET    A  1  22  ? 17.772  -3.120  -15.134 1.00 76.36 22  A  1 
ATOM   152  N N   . LEU    A  1  23  ? 16.731  -6.646  -11.774 1.00 87.67 23  A  1 
ATOM   153  C CA  . LEU    A  1  23  ? 17.009  -6.328  -10.373 1.00 87.55 23  A  1 
ATOM   154  C C   . LEU    A  1  23  ? 17.151  -7.586  -9.510  1.00 87.46 23  A  1 
ATOM   155  O O   . LEU    A  1  23  ? 18.118  -7.701  -8.760  1.00 85.29 23  A  1 
ATOM   156  C CB  . LEU    A  1  23  ? 15.897  -5.423  -9.830  1.00 86.55 23  A  1 
ATOM   157  C CG  . LEU    A  1  23  ? 15.906  -4.003  -10.412 1.00 84.70 23  A  1 
ATOM   158  C CD1 . LEU    A  1  23  ? 14.626  -3.283  -10.028 1.00 78.33 23  A  1 
ATOM   159  C CD2 . LEU    A  1  23  ? 17.077  -3.187  -9.874  1.00 78.84 23  A  1 
ATOM   160  N N   . ILE    A  1  24  ? 16.252  -8.527  -9.664  1.00 87.32 24  A  1 
ATOM   161  C CA  . ILE    A  1  24  ? 16.328  -9.807  -8.947  1.00 86.54 24  A  1 
ATOM   162  C C   . ILE    A  1  24  ? 17.614  -10.546 -9.316  1.00 86.56 24  A  1 
ATOM   163  O O   . ILE    A  1  24  ? 18.325  -11.020 -8.434  1.00 84.83 24  A  1 
ATOM   164  C CB  . ILE    A  1  24  ? 15.087  -10.676 -9.234  1.00 84.99 24  A  1 
ATOM   165  C CG1 . ILE    A  1  24  ? 13.820  -10.028 -8.633  1.00 79.51 24  A  1 
ATOM   166  C CG2 . ILE    A  1  24  ? 15.257  -12.092 -8.656  1.00 77.93 24  A  1 
ATOM   167  C CD1 . ILE    A  1  24  ? 12.519  -10.647 -9.142  1.00 72.12 24  A  1 
ATOM   168  N N   . CYS    A  1  25  ? 17.922  -10.604 -10.584 1.00 88.44 25  A  1 
ATOM   169  C CA  . CYS    A  1  25  ? 19.132  -11.263 -11.062 1.00 87.90 25  A  1 
ATOM   170  C C   . CYS    A  1  25  ? 20.392  -10.602 -10.486 1.00 87.95 25  A  1 
ATOM   171  O O   . CYS    A  1  25  ? 21.289  -11.300 -10.025 1.00 85.32 25  A  1 
ATOM   172  C CB  . CYS    A  1  25  ? 19.110  -11.237 -12.592 1.00 86.37 25  A  1 
ATOM   173  S SG  . CYS    A  1  25  ? 20.564  -12.087 -13.237 1.00 75.94 25  A  1 
ATOM   174  N N   . TYR    A  1  26  ? 20.423  -9.293  -10.465 1.00 87.27 26  A  1 
ATOM   175  C CA  . TYR    A  1  26  ? 21.556  -8.573  -9.891  1.00 87.24 26  A  1 
ATOM   176  C C   . TYR    A  1  26  ? 21.725  -8.817  -8.387  1.00 86.62 26  A  1 
ATOM   177  O O   . TYR    A  1  26  ? 22.839  -9.054  -7.923  1.00 83.66 26  A  1 
ATOM   178  C CB  . TYR    A  1  26  ? 21.391  -7.079  -10.177 1.00 86.99 26  A  1 
ATOM   179  C CG  . TYR    A  1  26  ? 22.502  -6.243  -9.579  1.00 87.70 26  A  1 
ATOM   180  C CD1 . TYR    A  1  26  ? 22.249  -5.383  -8.490  1.00 81.90 26  A  1 
ATOM   181  C CD2 . TYR    A  1  26  ? 23.811  -6.351  -10.085 1.00 82.37 26  A  1 
ATOM   182  C CE1 . TYR    A  1  26  ? 23.284  -4.629  -7.929  1.00 81.18 26  A  1 
ATOM   183  C CE2 . TYR    A  1  26  ? 24.854  -5.603  -9.526  1.00 81.34 26  A  1 
ATOM   184  C CZ  . TYR    A  1  26  ? 24.587  -4.738  -8.449  1.00 84.61 26  A  1 
ATOM   185  O OH  . TYR    A  1  26  ? 25.608  -3.994  -7.909  1.00 83.31 26  A  1 
ATOM   186  N N   . THR    A  1  27  ? 20.640  -8.794  -7.653  1.00 86.46 27  A  1 
ATOM   187  C CA  . THR    A  1  27  ? 20.688  -8.914  -6.187  1.00 85.27 27  A  1 
ATOM   188  C C   . THR    A  1  27  ? 20.863  -10.347 -5.696  1.00 84.33 27  A  1 
ATOM   189  O O   . THR    A  1  27  ? 21.512  -10.564 -4.678  1.00 80.88 27  A  1 
ATOM   190  C CB  . THR    A  1  27  ? 19.440  -8.312  -5.538  1.00 84.07 27  A  1 
ATOM   191  O OG1 . THR    A  1  27  ? 18.264  -8.887  -6.054  1.00 74.44 27  A  1 
ATOM   192  C CG2 . THR    A  1  27  ? 19.363  -6.805  -5.757  1.00 73.18 27  A  1 
ATOM   193  N N   . SER    A  1  28  ? 20.316  -11.302 -6.408  1.00 85.78 28  A  1 
ATOM   194  C CA  . SER    A  1  28  ? 20.376  -12.714 -6.017  1.00 83.99 28  A  1 
ATOM   195  C C   . SER    A  1  28  ? 21.455  -13.525 -6.736  1.00 83.18 28  A  1 
ATOM   196  O O   . SER    A  1  28  ? 21.720  -14.660 -6.341  1.00 78.14 28  A  1 
ATOM   197  C CB  . SER    A  1  28  ? 19.006  -13.365 -6.213  1.00 81.37 28  A  1 
ATOM   198  O OG  . SER    A  1  28  ? 18.694  -13.499 -7.577  1.00 71.99 28  A  1 
ATOM   199  N N   . ASN    A  1  29  ? 22.032  -12.976 -7.783  1.00 82.86 29  A  1 
ATOM   200  C CA  . ASN    A  1  29  ? 22.889  -13.704 -8.729  1.00 82.74 29  A  1 
ATOM   201  C C   . ASN    A  1  29  ? 22.230  -14.964 -9.321  1.00 83.37 29  A  1 
ATOM   202  O O   . ASN    A  1  29  ? 22.908  -15.933 -9.651  1.00 77.29 29  A  1 
ATOM   203  C CB  . ASN    A  1  29  ? 24.270  -13.979 -8.116  1.00 79.13 29  A  1 
ATOM   204  C CG  . ASN    A  1  29  ? 25.126  -12.739 -7.986  1.00 73.14 29  A  1 
ATOM   205  O OD1 . ASN    A  1  29  ? 25.117  -11.839 -8.796  1.00 63.64 29  A  1 
ATOM   206  N ND2 . ASN    A  1  29  ? 25.945  -12.687 -6.961  1.00 63.47 29  A  1 
ATOM   207  N N   . LYS    A  1  30  ? 20.912  -14.953 -9.441  1.00 81.50 30  A  1 
ATOM   208  C CA  . LYS    A  1  30  ? 20.138  -16.051 -10.019 1.00 81.21 30  A  1 
ATOM   209  C C   . LYS    A  1  30  ? 18.993  -15.484 -10.841 1.00 81.11 30  A  1 
ATOM   210  O O   . LYS    A  1  30  ? 18.384  -14.495 -10.456 1.00 75.98 30  A  1 
ATOM   211  C CB  . LYS    A  1  30  ? 19.587  -16.967 -8.916  1.00 76.99 30  A  1 
ATOM   212  C CG  . LYS    A  1  30  ? 20.696  -17.760 -8.210  1.00 70.15 30  A  1 
ATOM   213  C CD  . LYS    A  1  30  ? 20.101  -18.709 -7.174  1.00 65.42 30  A  1 
ATOM   214  C CE  . LYS    A  1  30  ? 21.221  -19.486 -6.490  1.00 57.10 30  A  1 
ATOM   215  N NZ  . LYS    A  1  30  ? 20.678  -20.437 -5.488  1.00 51.04 30  A  1 
ATOM   216  N N   . PHE    A  1  31  ? 18.708  -16.154 -11.935 1.00 81.66 31  A  1 
ATOM   217  C CA  . PHE    A  1  31  ? 17.499  -15.835 -12.673 1.00 81.54 31  A  1 
ATOM   218  C C   . PHE    A  1  31  ? 16.292  -16.446 -11.944 1.00 81.59 31  A  1 
ATOM   219  O O   . PHE    A  1  31  ? 16.345  -17.633 -11.617 1.00 76.23 31  A  1 
ATOM   220  C CB  . PHE    A  1  31  ? 17.632  -16.344 -14.108 1.00 77.44 31  A  1 
ATOM   221  C CG  . PHE    A  1  31  ? 16.484  -15.905 -14.985 1.00 74.46 31  A  1 
ATOM   222  C CD1 . PHE    A  1  31  ? 15.432  -16.787 -15.267 1.00 68.51 31  A  1 
ATOM   223  C CD2 . PHE    A  1  31  ? 16.443  -14.594 -15.485 1.00 68.06 31  A  1 
ATOM   224  C CE1 . PHE    A  1  31  ? 14.349  -16.362 -16.051 1.00 63.30 31  A  1 
ATOM   225  C CE2 . PHE    A  1  31  ? 15.363  -14.162 -16.265 1.00 62.64 31  A  1 
ATOM   226  C CZ  . PHE    A  1  31  ? 14.314  -15.048 -16.552 1.00 64.33 31  A  1 
ATOM   227  N N   . PRO    A  1  32  ? 15.253  -15.681 -11.679 1.00 81.35 32  A  1 
ATOM   228  C CA  . PRO    A  1  32  ? 14.082  -16.204 -10.988 1.00 80.15 32  A  1 
ATOM   229  C C   . PRO    A  1  32  ? 13.323  -17.176 -11.899 1.00 80.66 32  A  1 
ATOM   230  O O   . PRO    A  1  32  ? 12.925  -16.815 -13.006 1.00 76.31 32  A  1 
ATOM   231  C CB  . PRO    A  1  32  ? 13.258  -14.970 -10.622 1.00 76.12 32  A  1 
ATOM   232  C CG  . PRO    A  1  32  ? 13.637  -13.951 -11.691 1.00 74.30 32  A  1 
ATOM   233  C CD  . PRO    A  1  32  ? 15.095  -14.271 -11.983 1.00 77.94 32  A  1 
ATOM   234  N N   . THR    A  1  33  ? 13.126  -18.391 -11.434 1.00 79.82 33  A  1 
ATOM   235  C CA  . THR    A  1  33  ? 12.434  -19.436 -12.201 1.00 78.83 33  A  1 
ATOM   236  C C   . THR    A  1  33  ? 10.971  -19.598 -11.822 1.00 78.73 33  A  1 
ATOM   237  O O   . THR    A  1  33  ? 10.167  -19.960 -12.670 1.00 73.65 33  A  1 
ATOM   238  C CB  . THR    A  1  33  ? 13.132  -20.788 -12.023 1.00 74.89 33  A  1 
ATOM   239  O OG1 . THR    A  1  33  ? 13.336  -21.076 -10.651 1.00 67.20 33  A  1 
ATOM   240  C CG2 . THR    A  1  33  ? 14.500  -20.794 -12.700 1.00 64.75 33  A  1 
ATOM   241  N N   . ASP    A  1  34  ? 10.657  -19.322 -10.579 1.00 79.06 34  A  1 
ATOM   242  C CA  . ASP    A  1  34  ? 9.335   -19.635 -10.048 1.00 78.30 34  A  1 
ATOM   243  C C   . ASP    A  1  34  ? 8.426   -18.410 -10.082 1.00 77.97 34  A  1 
ATOM   244  O O   . ASP    A  1  34  ? 7.718   -18.155 -11.055 1.00 73.84 34  A  1 
ATOM   245  C CB  . ASP    A  1  34  ? 9.466   -20.229 -8.632  1.00 75.46 34  A  1 
ATOM   246  C CG  . ASP    A  1  34  ? 10.380  -21.451 -8.566  1.00 68.98 34  A  1 
ATOM   247  O OD1 . ASP    A  1  34  ? 10.549  -22.131 -9.593  1.00 62.15 34  A  1 
ATOM   248  O OD2 . ASP    A  1  34  ? 10.963  -21.659 -7.482  1.00 62.28 34  A  1 
ATOM   249  N N   . TYR    A  1  35  ? 8.471   -17.660 -9.027  1.00 77.67 35  A  1 
ATOM   250  C CA  . TYR    A  1  35  ? 7.640   -16.475 -8.897  1.00 76.77 35  A  1 
ATOM   251  C C   . TYR    A  1  35  ? 8.449   -15.216 -9.202  1.00 77.61 35  A  1 
ATOM   252  O O   . TYR    A  1  35  ? 9.474   -14.955 -8.575  1.00 74.26 35  A  1 
ATOM   253  C CB  . TYR    A  1  35  ? 7.031   -16.453 -7.498  1.00 72.93 35  A  1 
ATOM   254  C CG  . TYR    A  1  35  ? 6.206   -15.216 -7.240  1.00 68.05 35  A  1 
ATOM   255  C CD1 . TYR    A  1  35  ? 6.705   -14.197 -6.410  1.00 62.03 35  A  1 
ATOM   256  C CD2 . TYR    A  1  35  ? 4.952   -15.058 -7.853  1.00 61.50 35  A  1 
ATOM   257  C CE1 . TYR    A  1  35  ? 5.962   -13.041 -6.185  1.00 55.78 35  A  1 
ATOM   258  C CE2 . TYR    A  1  35  ? 4.200   -13.897 -7.637  1.00 56.13 35  A  1 
ATOM   259  C CZ  . TYR    A  1  35  ? 4.710   -12.891 -6.798  1.00 56.09 35  A  1 
ATOM   260  O OH  . TYR    A  1  35  ? 3.981   -11.752 -6.580  1.00 52.23 35  A  1 
ATOM   261  N N   . ILE    A  1  36  ? 7.947   -14.456 -10.147 1.00 79.09 36  A  1 
ATOM   262  C CA  . ILE    A  1  36  ? 8.507   -13.147 -10.474 1.00 78.77 36  A  1 
ATOM   263  C C   . ILE    A  1  36  ? 7.491   -12.095 -10.038 1.00 78.35 36  A  1 
ATOM   264  O O   . ILE    A  1  36  ? 6.420   -12.004 -10.644 1.00 74.01 36  A  1 
ATOM   265  C CB  . ILE    A  1  36  ? 8.859   -13.044 -11.969 1.00 75.80 36  A  1 
ATOM   266  C CG1 . ILE    A  1  36  ? 9.846   -14.160 -12.374 1.00 69.60 36  A  1 
ATOM   267  C CG2 . ILE    A  1  36  ? 9.453   -11.657 -12.253 1.00 67.11 36  A  1 
ATOM   268  C CD1 . ILE    A  1  36  ? 10.125  -14.223 -13.874 1.00 61.68 36  A  1 
ATOM   269  N N   . PRO    A  1  37  ? 7.786   -11.324 -9.015  1.00 79.95 37  A  1 
ATOM   270  C CA  . PRO    A  1  37  ? 6.894   -10.255 -8.596  1.00 78.62 37  A  1 
ATOM   271  C C   . PRO    A  1  37  ? 6.815   -9.165  -9.669  1.00 78.69 37  A  1 
ATOM   272  O O   . PRO    A  1  37  ? 7.750   -8.960  -10.439 1.00 75.34 37  A  1 
ATOM   273  C CB  . PRO    A  1  37  ? 7.476   -9.741  -7.280  1.00 75.57 37  A  1 
ATOM   274  C CG  . PRO    A  1  37  ? 8.959   -10.043 -7.406  1.00 73.96 37  A  1 
ATOM   275  C CD  . PRO    A  1  37  ? 8.985   -11.342 -8.199  1.00 77.04 37  A  1 
ATOM   276  N N   . THR    A  1  38  ? 5.715   -8.462  -9.697  1.00 78.40 38  A  1 
ATOM   277  C CA  . THR    A  1  38  ? 5.528   -7.369  -10.661 1.00 75.95 38  A  1 
ATOM   278  C C   . THR    A  1  38  ? 6.448   -6.181  -10.379 1.00 75.51 38  A  1 
ATOM   279  O O   . THR    A  1  38  ? 6.881   -5.507  -11.309 1.00 71.23 38  A  1 
ATOM   280  C CB  . THR    A  1  38  ? 4.069   -6.897  -10.645 1.00 71.90 38  A  1 
ATOM   281  O OG1 . THR    A  1  38  ? 3.208   -7.997  -10.812 1.00 64.40 38  A  1 
ATOM   282  C CG2 . THR    A  1  38  ? 3.750   -5.914  -11.769 1.00 62.22 38  A  1 
ATOM   283  N N   . VAL    A  1  39  ? 6.716   -5.959  -9.130  1.00 75.33 39  A  1 
ATOM   284  C CA  . VAL    A  1  39  ? 7.622   -4.899  -8.686  1.00 75.48 39  A  1 
ATOM   285  C C   . VAL    A  1  39  ? 8.605   -5.498  -7.692  1.00 76.40 39  A  1 
ATOM   286  O O   . VAL    A  1  39  ? 8.203   -6.226  -6.791  1.00 72.19 39  A  1 
ATOM   287  C CB  . VAL    A  1  39  ? 6.838   -3.730  -8.068  1.00 70.50 39  A  1 
ATOM   288  C CG1 . VAL    A  1  39  ? 7.761   -2.624  -7.575  1.00 62.15 39  A  1 
ATOM   289  C CG2 . VAL    A  1  39  ? 5.876   -3.114  -9.084  1.00 63.24 39  A  1 
ATOM   290  N N   . PHE    A  1  40  ? 9.844   -5.191  -7.895  1.00 77.17 40  A  1 
ATOM   291  C CA  . PHE    A  1  40  ? 10.911  -5.606  -6.999  1.00 77.13 40  A  1 
ATOM   292  C C   . PHE    A  1  40  ? 10.890  -4.749  -5.728  1.00 78.47 40  A  1 
ATOM   293  O O   . PHE    A  1  40  ? 10.700  -3.536  -5.793  1.00 73.30 40  A  1 
ATOM   294  C CB  . PHE    A  1  40  ? 12.229  -5.475  -7.763  1.00 73.12 40  A  1 
ATOM   295  C CG  . PHE    A  1  40  ? 13.457  -5.773  -6.949  1.00 71.67 40  A  1 
ATOM   296  C CD1 . PHE    A  1  40  ? 14.204  -4.721  -6.397  1.00 65.65 40  A  1 
ATOM   297  C CD2 . PHE    A  1  40  ? 13.866  -7.097  -6.746  1.00 65.67 40  A  1 
ATOM   298  C CE1 . PHE    A  1  40  ? 15.350  -4.996  -5.652  1.00 61.30 40  A  1 
ATOM   299  C CE2 . PHE    A  1  40  ? 15.013  -7.373  -6.003  1.00 60.92 40  A  1 
ATOM   300  C CZ  . PHE    A  1  40  ? 15.758  -6.320  -5.455  1.00 63.99 40  A  1 
ATOM   301  N N   . ASP    A  1  41  ? 11.093  -5.394  -4.614  1.00 79.36 41  A  1 
ATOM   302  C CA  . ASP    A  1  41  ? 11.196  -4.684  -3.351  1.00 78.41 41  A  1 
ATOM   303  C C   . ASP    A  1  41  ? 12.457  -3.826  -3.303  1.00 79.17 41  A  1 
ATOM   304  O O   . ASP    A  1  41  ? 13.518  -4.227  -3.774  1.00 74.32 41  A  1 
ATOM   305  C CB  . ASP    A  1  41  ? 11.212  -5.667  -2.182  1.00 74.58 41  A  1 
ATOM   306  C CG  . ASP    A  1  41  ? 9.845   -5.909  -1.558  1.00 69.73 41  A  1 
ATOM   307  O OD1 . ASP    A  1  41  ? 8.865   -5.230  -1.926  1.00 62.45 41  A  1 
ATOM   308  O OD2 . ASP    A  1  41  ? 9.794   -6.759  -0.642  1.00 62.56 41  A  1 
ATOM   309  N N   . ASN    A  1  42  ? 12.319  -2.691  -2.671  1.00 81.33 42  A  1 
ATOM   310  C CA  . ASN    A  1  42  ? 13.467  -1.821  -2.501  1.00 80.89 42  A  1 
ATOM   311  C C   . ASN    A  1  42  ? 14.582  -2.553  -1.755  1.00 81.11 42  A  1 
ATOM   312  O O   . ASN    A  1  42  ? 14.384  -3.082  -0.664  1.00 75.83 42  A  1 
ATOM   313  C CB  . ASN    A  1  42  ? 13.058  -0.545  -1.768  1.00 76.92 42  A  1 
ATOM   314  C CG  . ASN    A  1  42  ? 12.121  0.333   -2.577  1.00 71.09 42  A  1 
ATOM   315  O OD1 . ASN    A  1  42  ? 11.980  0.234   -3.777  1.00 62.11 42  A  1 
ATOM   316  N ND2 . ASN    A  1  42  ? 11.452  1.247   -1.912  1.00 64.43 42  A  1 
ATOM   317  N N   . PHE    A  1  43  ? 15.719  -2.533  -2.350  1.00 82.58 43  A  1 
ATOM   318  C CA  . PHE    A  1  43  ? 16.877  -3.235  -1.836  1.00 82.78 43  A  1 
ATOM   319  C C   . PHE    A  1  43  ? 18.028  -2.256  -1.635  1.00 84.11 43  A  1 
ATOM   320  O O   . PHE    A  1  43  ? 18.186  -1.317  -2.408  1.00 80.39 43  A  1 
ATOM   321  C CB  . PHE    A  1  43  ? 17.226  -4.356  -2.816  1.00 78.72 43  A  1 
ATOM   322  C CG  . PHE    A  1  43  ? 18.426  -5.168  -2.402  1.00 73.64 43  A  1 
ATOM   323  C CD1 . PHE    A  1  43  ? 19.695  -4.860  -2.915  1.00 67.51 43  A  1 
ATOM   324  C CD2 . PHE    A  1  43  ? 18.280  -6.229  -1.495  1.00 65.51 43  A  1 
ATOM   325  C CE1 . PHE    A  1  43  ? 20.807  -5.618  -2.535  1.00 60.76 43  A  1 
ATOM   326  C CE2 . PHE    A  1  43  ? 19.392  -6.990  -1.114  1.00 59.14 43  A  1 
ATOM   327  C CZ  . PHE    A  1  43  ? 20.657  -6.684  -1.637  1.00 58.70 43  A  1 
ATOM   328  N N   . SER    A  1  44  ? 18.822  -2.491  -0.632  1.00 82.01 44  A  1 
ATOM   329  C CA  . SER    A  1  44  ? 20.049  -1.731  -0.446  1.00 81.96 44  A  1 
ATOM   330  C C   . SER    A  1  44  ? 21.202  -2.652  -0.099  1.00 82.58 44  A  1 
ATOM   331  O O   . SER    A  1  44  ? 21.050  -3.561  0.718   1.00 79.00 44  A  1 
ATOM   332  C CB  . SER    A  1  44  ? 19.879  -0.634  0.600   1.00 78.51 44  A  1 
ATOM   333  O OG  . SER    A  1  44  ? 19.674  -1.172  1.886   1.00 66.94 44  A  1 
ATOM   334  N N   . ALA    A  1  45  ? 22.339  -2.399  -0.699  1.00 84.74 45  A  1 
ATOM   335  C CA  . ALA    A  1  45  ? 23.537  -3.177  -0.442  1.00 84.42 45  A  1 
ATOM   336  C C   . ALA    A  1  45  ? 24.787  -2.308  -0.560  1.00 85.79 45  A  1 
ATOM   337  O O   . ALA    A  1  45  ? 24.808  -1.312  -1.282  1.00 82.74 45  A  1 
ATOM   338  C CB  . ALA    A  1  45  ? 23.592  -4.347  -1.416  1.00 81.11 45  A  1 
ATOM   339  N N   . ASN    A  1  46  ? 25.822  -2.729  0.111   1.00 85.97 46  A  1 
ATOM   340  C CA  . ASN    A  1  46  ? 27.133  -2.135  -0.087  1.00 86.05 46  A  1 
ATOM   341  C C   . ASN    A  1  46  ? 27.799  -2.790  -1.294  1.00 86.17 46  A  1 
ATOM   342  O O   . ASN    A  1  46  ? 27.954  -4.006  -1.329  1.00 82.72 46  A  1 
ATOM   343  C CB  . ASN    A  1  46  ? 27.961  -2.280  1.185   1.00 83.89 46  A  1 
ATOM   344  C CG  . ASN    A  1  46  ? 27.404  -1.442  2.321   1.00 80.28 46  A  1 
ATOM   345  O OD1 . ASN    A  1  46  ? 26.854  -0.373  2.146   1.00 70.70 46  A  1 
ATOM   346  N ND2 . ASN    A  1  46  ? 27.534  -1.919  3.539   1.00 71.54 46  A  1 
ATOM   347  N N   . VAL    A  1  47  ? 28.181  -1.980  -2.242  1.00 86.44 47  A  1 
ATOM   348  C CA  . VAL    A  1  47  ? 28.820  -2.427  -3.481  1.00 86.33 47  A  1 
ATOM   349  C C   . VAL    A  1  47  ? 30.166  -1.726  -3.607  1.00 86.18 47  A  1 
ATOM   350  O O   . VAL    A  1  47  ? 30.263  -0.519  -3.400  1.00 83.68 47  A  1 
ATOM   351  C CB  . VAL    A  1  47  ? 27.924  -2.152  -4.696  1.00 84.85 47  A  1 
ATOM   352  C CG1 . VAL    A  1  47  ? 28.538  -2.714  -5.978  1.00 75.11 47  A  1 
ATOM   353  C CG2 . VAL    A  1  47  ? 26.538  -2.791  -4.532  1.00 76.10 47  A  1 
ATOM   354  N N   . ALA    A  1  48  ? 31.186  -2.483  -3.934  1.00 86.31 48  A  1 
ATOM   355  C CA  . ALA    A  1  48  ? 32.502  -1.929  -4.214  1.00 85.85 48  A  1 
ATOM   356  C C   . ALA    A  1  48  ? 32.668  -1.731  -5.723  1.00 85.88 48  A  1 
ATOM   357  O O   . ALA    A  1  48  ? 32.542  -2.683  -6.493  1.00 82.28 48  A  1 
ATOM   358  C CB  . ALA    A  1  48  ? 33.570  -2.848  -3.614  1.00 83.31 48  A  1 
ATOM   359  N N   . VAL    A  1  49  ? 32.954  -0.515  -6.114  1.00 83.92 49  A  1 
ATOM   360  C CA  . VAL    A  1  49  ? 33.227  -0.144  -7.505  1.00 83.34 49  A  1 
ATOM   361  C C   . VAL    A  1  49  ? 34.456  0.757   -7.520  1.00 82.95 49  A  1 
ATOM   362  O O   . VAL    A  1  49  ? 34.516  1.733   -6.777  1.00 79.41 49  A  1 
ATOM   363  C CB  . VAL    A  1  49  ? 32.018  0.557   -8.142  1.00 81.00 49  A  1 
ATOM   364  C CG1 . VAL    A  1  49  ? 32.303  0.948   -9.591  1.00 71.44 49  A  1 
ATOM   365  C CG2 . VAL    A  1  49  ? 30.799  -0.371  -8.156  1.00 72.64 49  A  1 
ATOM   366  N N   . ASP    A  1  50  ? 35.431  0.405   -8.329  1.00 82.87 50  A  1 
ATOM   367  C CA  . ASP    A  1  50  ? 36.702  1.140   -8.438  1.00 82.42 50  A  1 
ATOM   368  C C   . ASP    A  1  50  ? 37.371  1.444   -7.077  1.00 82.71 50  A  1 
ATOM   369  O O   . ASP    A  1  50  ? 37.914  2.519   -6.840  1.00 76.77 50  A  1 
ATOM   370  C CB  . ASP    A  1  50  ? 36.529  2.375   -9.344  1.00 79.27 50  A  1 
ATOM   371  C CG  . ASP    A  1  50  ? 36.139  2.027   -10.784 1.00 73.69 50  A  1 
ATOM   372  O OD1 . ASP    A  1  50  ? 36.329  0.873   -11.228 1.00 65.73 50  A  1 
ATOM   373  O OD2 . ASP    A  1  50  ? 35.607  2.906   -11.490 1.00 66.00 50  A  1 
ATOM   374  N N   . GLY    A  1  51  ? 37.293  0.480   -6.176  1.00 83.78 51  A  1 
ATOM   375  C CA  . GLY    A  1  51  ? 37.876  0.614   -4.838  1.00 82.95 51  A  1 
ATOM   376  C C   . GLY    A  1  51  ? 37.070  1.470   -3.854  1.00 83.78 51  A  1 
ATOM   377  O O   . GLY    A  1  51  ? 37.433  1.545   -2.680  1.00 79.34 51  A  1 
ATOM   378  N N   . GLN    A  1  52  ? 35.990  2.078   -4.293  1.00 85.13 52  A  1 
ATOM   379  C CA  . GLN    A  1  52  ? 35.078  2.789   -3.404  1.00 84.77 52  A  1 
ATOM   380  C C   . GLN    A  1  52  ? 33.909  1.893   -3.011  1.00 85.49 52  A  1 
ATOM   381  O O   . GLN    A  1  52  ? 33.297  1.255   -3.859  1.00 82.09 52  A  1 
ATOM   382  C CB  . GLN    A  1  52  ? 34.580  4.086   -4.044  1.00 81.63 52  A  1 
ATOM   383  C CG  . GLN    A  1  52  ? 35.722  5.091   -4.231  1.00 73.12 52  A  1 
ATOM   384  C CD  . GLN    A  1  52  ? 35.242  6.494   -4.596  1.00 69.42 52  A  1 
ATOM   385  O OE1 . GLN    A  1  52  ? 34.068  6.797   -4.700  1.00 62.72 52  A  1 
ATOM   386  N NE2 . GLN    A  1  52  ? 36.148  7.424   -4.778  1.00 60.25 52  A  1 
ATOM   387  N N   . ILE    A  1  53  ? 33.599  1.892   -1.737  1.00 86.18 53  A  1 
ATOM   388  C CA  . ILE    A  1  53  ? 32.399  1.223   -1.239  1.00 86.02 53  A  1 
ATOM   389  C C   . ILE    A  1  53  ? 31.273  2.247   -1.182  1.00 86.33 53  A  1 
ATOM   390  O O   . ILE    A  1  53  ? 31.379  3.268   -0.498  1.00 82.49 53  A  1 
ATOM   391  C CB  . ILE    A  1  53  ? 32.644  0.541   0.119   1.00 83.47 53  A  1 
ATOM   392  C CG1 . ILE    A  1  53  ? 33.786  -0.494  -0.002  1.00 73.68 53  A  1 
ATOM   393  C CG2 . ILE    A  1  53  ? 31.351  -0.130  0.614   1.00 70.32 53  A  1 
ATOM   394  C CD1 . ILE    A  1  53  ? 34.184  -1.147  1.325   1.00 63.75 53  A  1 
ATOM   395  N N   . VAL    A  1  54  ? 30.215  1.949   -1.881  1.00 86.22 54  A  1 
ATOM   396  C CA  . VAL    A  1  54  ? 29.001  2.761   -1.895  1.00 86.61 54  A  1 
ATOM   397  C C   . VAL    A  1  54  ? 27.824  1.928   -1.415  1.00 86.72 54  A  1 
ATOM   398  O O   . VAL    A  1  54  ? 27.777  0.722   -1.641  1.00 84.20 54  A  1 
ATOM   399  C CB  . VAL    A  1  54  ? 28.727  3.366   -3.275  1.00 85.00 54  A  1 
ATOM   400  C CG1 . VAL    A  1  54  ? 29.873  4.289   -3.695  1.00 74.46 54  A  1 
ATOM   401  C CG2 . VAL    A  1  54  ? 28.509  2.320   -4.366  1.00 75.97 54  A  1 
ATOM   402  N N   . ASN    A  1  55  ? 26.882  2.576   -0.774  1.00 88.57 55  A  1 
ATOM   403  C CA  . ASN    A  1  55  ? 25.612  1.948   -0.455  1.00 89.04 55  A  1 
ATOM   404  C C   . ASN    A  1  55  ? 24.652  2.206   -1.618  1.00 89.20 55  A  1 
ATOM   405  O O   . ASN    A  1  55  ? 24.242  3.344   -1.843  1.00 86.51 55  A  1 
ATOM   406  C CB  . ASN    A  1  55  ? 25.123  2.485   0.892   1.00 86.87 55  A  1 
ATOM   407  C CG  . ASN    A  1  55  ? 23.954  1.675   1.413   1.00 80.33 55  A  1 
ATOM   408  O OD1 . ASN    A  1  55  ? 22.935  1.516   0.779   1.00 69.55 55  A  1 
ATOM   409  N ND2 . ASN    A  1  55  ? 24.075  1.123   2.597   1.00 70.34 55  A  1 
ATOM   410  N N   . LEU    A  1  56  ? 24.358  1.164   -2.358  1.00 88.42 56  A  1 
ATOM   411  C CA  . LEU    A  1  56  ? 23.467  1.229   -3.507  1.00 89.24 56  A  1 
ATOM   412  C C   . LEU    A  1  56  ? 22.053  0.849   -3.078  1.00 89.00 56  A  1 
ATOM   413  O O   . LEU    A  1  56  ? 21.820  -0.283  -2.659  1.00 86.28 56  A  1 
ATOM   414  C CB  . LEU    A  1  56  ? 24.003  0.294   -4.598  1.00 88.27 56  A  1 
ATOM   415  C CG  . LEU    A  1  56  ? 23.144  0.272   -5.874  1.00 87.21 56  A  1 
ATOM   416  C CD1 . LEU    A  1  56  ? 23.167  1.611   -6.597  1.00 79.68 56  A  1 
ATOM   417  C CD2 . LEU    A  1  56  ? 23.665  -0.796  -6.830  1.00 80.15 56  A  1 
ATOM   418  N N   . GLY    A  1  57  ? 21.128  1.774   -3.224  1.00 90.29 57  A  1 
ATOM   419  C CA  . GLY    A  1  57  ? 19.707  1.515   -3.102  1.00 90.33 57  A  1 
ATOM   420  C C   . GLY    A  1  57  ? 19.074  1.331   -4.475  1.00 90.79 57  A  1 
ATOM   421  O O   . GLY    A  1  57  ? 19.267  2.165   -5.355  1.00 88.30 57  A  1 
ATOM   422  N N   . LEU    A  1  58  ? 18.324  0.261   -4.632  1.00 88.79 58  A  1 
ATOM   423  C CA  . LEU    A  1  58  ? 17.643  -0.083  -5.876  1.00 88.68 58  A  1 
ATOM   424  C C   . LEU    A  1  58  ? 16.132  0.063   -5.702  1.00 88.03 58  A  1 
ATOM   425  O O   . LEU    A  1  58  ? 15.553  -0.534  -4.796  1.00 84.68 58  A  1 
ATOM   426  C CB  . LEU    A  1  58  ? 18.001  -1.518  -6.284  1.00 87.33 58  A  1 
ATOM   427  C CG  . LEU    A  1  58  ? 19.494  -1.771  -6.533  1.00 85.35 58  A  1 
ATOM   428  C CD1 . LEU    A  1  58  ? 19.721  -3.246  -6.819  1.00 79.71 58  A  1 
ATOM   429  C CD2 . LEU    A  1  58  ? 20.014  -0.969  -7.727  1.00 80.73 58  A  1 
ATOM   430  N N   . TRP    A  1  59  ? 15.518  0.814   -6.586  1.00 89.77 59  A  1 
ATOM   431  C CA  . TRP    A  1  59  ? 14.071  0.972   -6.659  1.00 89.38 59  A  1 
ATOM   432  C C   . TRP    A  1  59  ? 13.565  0.455   -7.995  1.00 88.70 59  A  1 
ATOM   433  O O   . TRP    A  1  59  ? 14.049  0.880   -9.046  1.00 83.92 59  A  1 
ATOM   434  C CB  . TRP    A  1  59  ? 13.667  2.436   -6.487  1.00 87.64 59  A  1 
ATOM   435  C CG  . TRP    A  1  59  ? 13.668  2.946   -5.082  1.00 85.27 59  A  1 
ATOM   436  C CD1 . TRP    A  1  59  ? 12.568  3.199   -4.349  1.00 74.13 59  A  1 
ATOM   437  C CD2 . TRP    A  1  59  ? 14.800  3.271   -4.228  1.00 80.75 59  A  1 
ATOM   438  N NE1 . TRP    A  1  59  ? 12.933  3.655   -3.093  1.00 74.16 59  A  1 
ATOM   439  C CE2 . TRP    A  1  59  ? 14.293  3.701   -2.972  1.00 77.91 59  A  1 
ATOM   440  C CE3 . TRP    A  1  59  ? 16.200  3.229   -4.386  1.00 73.09 59  A  1 
ATOM   441  C CZ2 . TRP    A  1  59  ? 15.142  4.060   -1.901  1.00 76.70 59  A  1 
ATOM   442  C CZ3 . TRP    A  1  59  ? 17.046  3.588   -3.314  1.00 67.00 59  A  1 
ATOM   443  C CH2 . TRP    A  1  59  ? 16.520  3.988   -2.094  1.00 69.41 59  A  1 
ATOM   444  N N   . ASP    A  1  60  ? 12.565  -0.382  -7.932  1.00 86.13 60  A  1 
ATOM   445  C CA  . ASP    A  1  60  ? 11.818  -0.774  -9.114  1.00 85.26 60  A  1 
ATOM   446  C C   . ASP    A  1  60  ? 10.582  0.115   -9.291  1.00 84.88 60  A  1 
ATOM   447  O O   . ASP    A  1  60  ? 10.092  0.745   -8.350  1.00 79.90 60  A  1 
ATOM   448  C CB  . ASP    A  1  60  ? 11.455  -2.264  -9.045  1.00 82.68 60  A  1 
ATOM   449  C CG  . ASP    A  1  60  ? 11.061  -2.863  -10.402 1.00 80.93 60  A  1 
ATOM   450  O OD1 . ASP    A  1  60  ? 11.205  -2.172  -11.431 1.00 74.06 60  A  1 
ATOM   451  O OD2 . ASP    A  1  60  ? 10.627  -4.035  -10.422 1.00 75.17 60  A  1 
ATOM   452  N N   . THR    A  1  61  ? 10.093  0.159   -10.509 1.00 86.12 61  A  1 
ATOM   453  C CA  . THR    A  1  61  ? 8.864   0.872   -10.844 1.00 84.59 61  A  1 
ATOM   454  C C   . THR    A  1  61  ? 8.021   0.041   -11.796 1.00 82.84 61  A  1 
ATOM   455  O O   . THR    A  1  61  ? 8.542   -0.659  -12.667 1.00 76.37 61  A  1 
ATOM   456  C CB  . THR    A  1  61  ? 9.135   2.251   -11.454 1.00 82.59 61  A  1 
ATOM   457  O OG1 . THR    A  1  61  ? 9.803   2.144   -12.685 1.00 73.12 61  A  1 
ATOM   458  C CG2 . THR    A  1  61  ? 9.951   3.171   -10.556 1.00 71.89 61  A  1 
ATOM   459  N N   . ALA    A  1  62  ? 6.726   0.166   -11.667 1.00 83.05 62  A  1 
ATOM   460  C CA  . ALA    A  1  62  ? 5.832   -0.432  -12.641 1.00 80.99 62  A  1 
ATOM   461  C C   . ALA    A  1  62  ? 5.930   0.318   -13.978 1.00 80.74 62  A  1 
ATOM   462  O O   . ALA    A  1  62  ? 5.863   1.549   -14.018 1.00 73.83 62  A  1 
ATOM   463  C CB  . ALA    A  1  62  ? 4.418   -0.443  -12.071 1.00 75.82 62  A  1 
ATOM   464  N N   . GLY    A  1  63  ? 6.103   -0.422  -15.052 1.00 79.73 63  A  1 
ATOM   465  C CA  . GLY    A  1  63  ? 6.205   0.172   -16.386 1.00 78.30 63  A  1 
ATOM   466  C C   . GLY    A  1  63  ? 4.860   0.514   -17.014 1.00 79.78 63  A  1 
ATOM   467  O O   . GLY    A  1  63  ? 4.809   1.272   -17.978 1.00 74.46 63  A  1 
ATOM   468  N N   . GLN    A  1  64  ? 3.812   -0.030  -16.466 1.00 80.37 64  A  1 
ATOM   469  C CA  . GLN    A  1  64  ? 2.458   0.123   -16.984 1.00 79.86 64  A  1 
ATOM   470  C C   . GLN    A  1  64  ? 1.898   1.520   -16.717 1.00 81.08 64  A  1 
ATOM   471  O O   . GLN    A  1  64  ? 2.291   2.209   -15.775 1.00 76.63 64  A  1 
ATOM   472  C CB  . GLN    A  1  64  ? 1.568   -0.959  -16.371 1.00 75.70 64  A  1 
ATOM   473  C CG  . GLN    A  1  64  ? 1.937   -2.353  -16.896 1.00 68.99 64  A  1 
ATOM   474  C CD  . GLN    A  1  64  ? 1.301   -3.473  -16.086 1.00 63.90 64  A  1 
ATOM   475  O OE1 . GLN    A  1  64  ? 0.843   -3.289  -14.982 1.00 58.83 64  A  1 
ATOM   476  N NE2 . GLN    A  1  64  ? 1.297   -4.685  -16.596 1.00 54.89 64  A  1 
ATOM   477  N N   . GLU    A  1  65  ? 0.973   1.914   -17.550 1.00 79.20 65  A  1 
ATOM   478  C CA  . GLU    A  1  65  ? 0.381   3.251   -17.479 1.00 78.11 65  A  1 
ATOM   479  C C   . GLU    A  1  65  ? -0.476  3.455   -16.239 1.00 79.02 65  A  1 
ATOM   480  O O   . GLU    A  1  65  ? -0.529  4.561   -15.718 1.00 74.09 65  A  1 
ATOM   481  C CB  . GLU    A  1  65  ? -0.432  3.534   -18.735 1.00 74.90 65  A  1 
ATOM   482  C CG  . GLU    A  1  65  ? 0.502   3.525   -19.936 1.00 67.58 65  A  1 
ATOM   483  C CD  . GLU    A  1  65  ? -0.040  4.203   -21.167 1.00 61.24 65  A  1 
ATOM   484  O OE1 . GLU    A  1  65  ? 0.859   4.604   -21.946 1.00 55.67 65  A  1 
ATOM   485  O OE2 . GLU    A  1  65  ? -1.263  4.352   -21.307 1.00 54.76 65  A  1 
ATOM   486  N N   . ASP    A  1  66  ? -1.044  2.391   -15.738 1.00 79.53 66  A  1 
ATOM   487  C CA  . ASP    A  1  66  ? -1.905  2.431   -14.555 1.00 79.39 66  A  1 
ATOM   488  C C   . ASP    A  1  66  ? -1.192  2.985   -13.314 1.00 80.34 66  A  1 
ATOM   489  O O   . ASP    A  1  66  ? -1.808  3.587   -12.442 1.00 76.19 66  A  1 
ATOM   490  C CB  . ASP    A  1  66  ? -2.421  1.019   -14.276 1.00 75.91 66  A  1 
ATOM   491  C CG  . ASP    A  1  66  ? -3.105  0.399   -15.492 1.00 69.22 66  A  1 
ATOM   492  O OD1 . ASP    A  1  66  ? -3.788  1.151   -16.213 1.00 62.43 66  A  1 
ATOM   493  O OD2 . ASP    A  1  66  ? -2.858  -0.805  -15.719 1.00 62.24 66  A  1 
ATOM   494  N N   . TYR    A  1  67  ? 0.117   2.838   -13.282 1.00 78.92 67  A  1 
ATOM   495  C CA  . TYR    A  1  67  ? 0.945   3.342   -12.190 1.00 79.57 67  A  1 
ATOM   496  C C   . TYR    A  1  67  ? 1.613   4.685   -12.497 1.00 81.04 67  A  1 
ATOM   497  O O   . TYR    A  1  67  ? 2.452   5.145   -11.726 1.00 76.96 67  A  1 
ATOM   498  C CB  . TYR    A  1  67  ? 1.968   2.277   -11.809 1.00 76.16 67  A  1 
ATOM   499  C CG  . TYR    A  1  67  ? 1.330   0.974   -11.395 1.00 72.49 67  A  1 
ATOM   500  C CD1 . TYR    A  1  67  ? 0.694   0.860   -10.146 1.00 67.87 67  A  1 
ATOM   501  C CD2 . TYR    A  1  67  ? 1.333   -0.127  -12.272 1.00 66.25 67  A  1 
ATOM   502  C CE1 . TYR    A  1  67  ? 0.072   -0.334  -9.773  1.00 63.57 67  A  1 
ATOM   503  C CE2 . TYR    A  1  67  ? 0.712   -1.329  -11.905 1.00 62.07 67  A  1 
ATOM   504  C CZ  . TYR    A  1  67  ? 0.080   -1.426  -10.655 1.00 62.99 67  A  1 
ATOM   505  O OH  . TYR    A  1  67  ? -0.535  -2.599  -10.297 1.00 59.54 67  A  1 
ATOM   506  N N   . SER    A  1  68  ? 1.246   5.319   -13.573 1.00 84.33 68  A  1 
ATOM   507  C CA  . SER    A  1  68  ? 1.863   6.576   -14.003 1.00 83.96 68  A  1 
ATOM   508  C C   . SER    A  1  68  ? 1.790   7.693   -12.961 1.00 84.62 68  A  1 
ATOM   509  O O   . SER    A  1  68  ? 2.701   8.510   -12.885 1.00 81.17 68  A  1 
ATOM   510  C CB  . SER    A  1  68  ? 1.224   7.056   -15.304 1.00 81.98 68  A  1 
ATOM   511  O OG  . SER    A  1  68  ? -0.158  7.254   -15.137 1.00 71.76 68  A  1 
ATOM   512  N N   . ARG    A  1  69  ? 0.766   7.692   -12.143 1.00 84.98 69  A  1 
ATOM   513  C CA  . ARG    A  1  69  ? 0.614   8.679   -11.069 1.00 85.09 69  A  1 
ATOM   514  C C   . ARG    A  1  69  ? 1.416   8.346   -9.812  1.00 85.92 69  A  1 
ATOM   515  O O   . ARG    A  1  69  ? 1.734   9.245   -9.048  1.00 82.33 69  A  1 
ATOM   516  C CB  . ARG    A  1  69  ? -0.863  8.820   -10.710 1.00 83.12 69  A  1 
ATOM   517  C CG  . ARG    A  1  69  ? -1.664  9.448   -11.857 1.00 76.30 69  A  1 
ATOM   518  C CD  . ARG    A  1  69  ? -3.106  9.637   -11.415 1.00 73.40 69  A  1 
ATOM   519  N NE  . ARG    A  1  69  ? -3.906  10.280  -12.471 1.00 64.46 69  A  1 
ATOM   520  C CZ  . ARG    A  1  69  ? -5.204  10.506  -12.423 1.00 58.76 69  A  1 
ATOM   521  N NH1 . ARG    A  1  69  ? -5.918  10.158  -11.388 1.00 52.69 69  A  1 
ATOM   522  N NH2 . ARG    A  1  69  ? -5.799  11.085  -13.421 1.00 51.97 69  A  1 
ATOM   523  N N   . LEU    A  1  70  ? 1.710   7.102   -9.617  1.00 84.74 70  A  1 
ATOM   524  C CA  . LEU    A  1  70  ? 2.418   6.641   -8.420  1.00 84.78 70  A  1 
ATOM   525  C C   . LEU    A  1  70  ? 3.930   6.572   -8.638  1.00 85.02 70  A  1 
ATOM   526  O O   . LEU    A  1  70  ? 4.706   6.871   -7.736  1.00 81.32 70  A  1 
ATOM   527  C CB  . LEU    A  1  70  ? 1.872   5.266   -8.009  1.00 82.30 70  A  1 
ATOM   528  C CG  . LEU    A  1  70  ? 0.382   5.245   -7.627  1.00 77.28 70  A  1 
ATOM   529  C CD1 . LEU    A  1  70  ? -0.041  3.814   -7.328  1.00 71.01 70  A  1 
ATOM   530  C CD2 . LEU    A  1  70  ? 0.093   6.104   -6.397  1.00 70.13 70  A  1 
ATOM   531  N N   . ARG    A  1  71  ? 4.313   6.232   -9.826  1.00 83.95 71  A  1 
ATOM   532  C CA  . ARG    A  1  71  ? 5.717   6.041   -10.201 1.00 84.38 71  A  1 
ATOM   533  C C   . ARG    A  1  71  ? 6.628   7.239   -9.868  1.00 84.73 71  A  1 
ATOM   534  O O   . ARG    A  1  71  ? 7.705   7.017   -9.326  1.00 82.46 71  A  1 
ATOM   535  C CB  . ARG    A  1  71  ? 5.751   5.691   -11.692 1.00 82.57 71  A  1 
ATOM   536  C CG  . ARG    A  1  71  ? 7.065   5.064   -12.117 1.00 77.64 71  A  1 
ATOM   537  C CD  . ARG    A  1  71  ? 7.142   4.912   -13.628 1.00 78.65 71  A  1 
ATOM   538  N NE  . ARG    A  1  71  ? 5.971   4.236   -14.193 1.00 76.30 71  A  1 
ATOM   539  C CZ  . ARG    A  1  71  ? 5.136   4.703   -15.106 1.00 76.81 71  A  1 
ATOM   540  N NH1 . ARG    A  1  71  ? 5.286   5.861   -15.676 1.00 67.61 71  A  1 
ATOM   541  N NH2 . ARG    A  1  71  ? 4.114   3.994   -15.475 1.00 70.85 71  A  1 
ATOM   542  N N   . PRO    A  1  72  ? 6.205   8.469   -10.114 1.00 87.21 72  A  1 
ATOM   543  C CA  . PRO    A  1  72  ? 7.042   9.627   -9.776  1.00 87.49 72  A  1 
ATOM   544  C C   . PRO    A  1  72  ? 7.369   9.782   -8.288  1.00 88.01 72  A  1 
ATOM   545  O O   . PRO    A  1  72  ? 8.331   10.470  -7.956  1.00 84.97 72  A  1 
ATOM   546  C CB  . PRO    A  1  72  ? 6.268   10.836  -10.286 1.00 85.29 72  A  1 
ATOM   547  C CG  . PRO    A  1  72  ? 5.415   10.273  -11.399 1.00 83.13 72  A  1 
ATOM   548  C CD  . PRO    A  1  72  ? 5.053   8.904   -10.874 1.00 86.20 72  A  1 
ATOM   549  N N   . LEU    A  1  73  ? 6.636   9.139   -7.420  1.00 87.15 73  A  1 
ATOM   550  C CA  . LEU    A  1  73  ? 6.953   9.138   -5.991  1.00 86.77 73  A  1 
ATOM   551  C C   . LEU    A  1  73  ? 8.310   8.479   -5.710  1.00 86.75 73  A  1 
ATOM   552  O O   . LEU    A  1  73  ? 9.032   8.919   -4.821  1.00 83.34 73  A  1 
ATOM   553  C CB  . LEU    A  1  73  ? 5.842   8.422   -5.208  1.00 85.41 73  A  1 
ATOM   554  C CG  . LEU    A  1  73  ? 4.448   9.062   -5.329  1.00 82.06 73  A  1 
ATOM   555  C CD1 . LEU    A  1  73  ? 3.422   8.190   -4.616  1.00 75.47 73  A  1 
ATOM   556  C CD2 . LEU    A  1  73  ? 4.408   10.456  -4.710  1.00 74.96 73  A  1 
ATOM   557  N N   . SER    A  1  74  ? 8.663   7.501   -6.500  1.00 86.93 74  A  1 
ATOM   558  C CA  . SER    A  1  74  ? 9.960   6.833   -6.385  1.00 86.42 74  A  1 
ATOM   559  C C   . SER    A  1  74  ? 11.126  7.691   -6.890  1.00 87.10 74  A  1 
ATOM   560  O O   . SER    A  1  74  ? 12.266  7.418   -6.538  1.00 84.39 74  A  1 
ATOM   561  C CB  . SER    A  1  74  ? 9.933   5.503   -7.136  1.00 84.37 74  A  1 
ATOM   562  O OG  . SER    A  1  74  ? 8.897   4.690   -6.624  1.00 75.09 74  A  1 
ATOM   563  N N   . TYR    A  1  75  ? 10.852  8.722   -7.655  1.00 87.48 75  A  1 
ATOM   564  C CA  . TYR    A  1  75  ? 11.902  9.545   -8.254  1.00 87.88 75  A  1 
ATOM   565  C C   . TYR    A  1  75  ? 12.525  10.547  -7.282  1.00 87.64 75  A  1 
ATOM   566  O O   . TYR    A  1  75  ? 13.588  11.102  -7.553  1.00 83.62 75  A  1 
ATOM   567  C CB  . TYR    A  1  75  ? 11.359  10.277  -9.487  1.00 86.74 75  A  1 
ATOM   568  C CG  . TYR    A  1  75  ? 10.807  9.418   -10.605 1.00 86.82 75  A  1 
ATOM   569  C CD1 . TYR    A  1  75  ? 10.996  8.025   -10.640 1.00 80.11 75  A  1 
ATOM   570  C CD2 . TYR    A  1  75  ? 10.095  10.039  -11.651 1.00 80.87 75  A  1 
ATOM   571  C CE1 . TYR    A  1  75  ? 10.476  7.250   -11.679 1.00 80.07 75  A  1 
ATOM   572  C CE2 . TYR    A  1  75  ? 9.574   9.275   -12.701 1.00 79.79 75  A  1 
ATOM   573  C CZ  . TYR    A  1  75  ? 9.761   7.877   -12.710 1.00 83.57 75  A  1 
ATOM   574  O OH  . TYR    A  1  75  ? 9.252   7.111   -13.720 1.00 82.19 75  A  1 
ATOM   575  N N   . ARG    A  1  76  ? 11.887  10.754  -6.154  1.00 89.13 76  A  1 
ATOM   576  C CA  . ARG    A  1  76  ? 12.420  11.675  -5.158  1.00 88.47 76  A  1 
ATOM   577  C C   . ARG    A  1  76  ? 13.756  11.182  -4.621  1.00 88.63 76  A  1 
ATOM   578  O O   . ARG    A  1  76  ? 13.863  10.081  -4.098  1.00 85.14 76  A  1 
ATOM   579  C CB  . ARG    A  1  76  ? 11.433  11.859  -4.006  1.00 86.77 76  A  1 
ATOM   580  C CG  . ARG    A  1  76  ? 10.283  12.792  -4.392  1.00 77.77 76  A  1 
ATOM   581  C CD  . ARG    A  1  76  ? 9.423   13.047  -3.163  1.00 74.57 76  A  1 
ATOM   582  N NE  . ARG    A  1  76  ? 8.460   14.141  -3.391  1.00 65.64 76  A  1 
ATOM   583  C CZ  . ARG    A  1  76  ? 7.815   14.798  -2.448  1.00 58.83 76  A  1 
ATOM   584  N NH1 . ARG    A  1  76  ? 7.925   14.478  -1.185  1.00 52.38 76  A  1 
ATOM   585  N NH2 . ARG    A  1  76  ? 7.050   15.798  -2.751  1.00 51.95 76  A  1 
ATOM   586  N N   . GLY    A  1  77  ? 14.728  12.038  -4.734  1.00 88.76 77  A  1 
ATOM   587  C CA  . GLY    A  1  77  ? 16.075  11.742  -4.270  1.00 89.02 77  A  1 
ATOM   588  C C   . GLY    A  1  77  ? 16.838  10.721  -5.115  1.00 90.22 77  A  1 
ATOM   589  O O   . GLY    A  1  77  ? 17.861  10.233  -4.655  1.00 86.91 77  A  1 
ATOM   590  N N   . ALA    A  1  78  ? 16.348  10.399  -6.299  1.00 88.71 78  A  1 
ATOM   591  C CA  . ALA    A  1  78  ? 17.101  9.553   -7.215  1.00 89.25 78  A  1 
ATOM   592  C C   . ALA    A  1  78  ? 18.430  10.225  -7.596  1.00 89.24 78  A  1 
ATOM   593  O O   . ALA    A  1  78  ? 18.460  11.407  -7.939  1.00 86.10 78  A  1 
ATOM   594  C CB  . ALA    A  1  78  ? 16.253  9.248   -8.447  1.00 88.30 78  A  1 
ATOM   595  N N   . ASP    A  1  79  ? 19.496  9.462   -7.543  1.00 90.18 79  A  1 
ATOM   596  C CA  . ASP    A  1  79  ? 20.813  9.893   -8.009  1.00 89.93 79  A  1 
ATOM   597  C C   . ASP    A  1  79  ? 21.054  9.507   -9.465  1.00 90.44 79  A  1 
ATOM   598  O O   . ASP    A  1  79  ? 21.784  10.200  -10.172 1.00 87.81 79  A  1 
ATOM   599  C CB  . ASP    A  1  79  ? 21.892  9.278   -7.119  1.00 88.23 79  A  1 
ATOM   600  C CG  . ASP    A  1  79  ? 21.940  9.926   -5.745  1.00 86.74 79  A  1 
ATOM   601  O OD1 . ASP    A  1  79  ? 22.240  11.149  -5.709  1.00 78.95 79  A  1 
ATOM   602  O OD2 . ASP    A  1  79  ? 21.747  9.195   -4.751  1.00 78.93 79  A  1 
ATOM   603  N N   . ILE    A  1  80  ? 20.427  8.430   -9.888  1.00 90.98 80  A  1 
ATOM   604  C CA  . ILE    A  1  80  ? 20.529  7.930   -11.256 1.00 91.89 80  A  1 
ATOM   605  C C   . ILE    A  1  80  ? 19.298  7.117   -11.644 1.00 91.85 80  A  1 
ATOM   606  O O   . ILE    A  1  80  ? 18.728  6.398   -10.826 1.00 89.33 80  A  1 
ATOM   607  C CB  . ILE    A  1  80  ? 21.833  7.131   -11.420 1.00 90.91 80  A  1 
ATOM   608  C CG1 . ILE    A  1  80  ? 22.099  6.822   -12.900 1.00 81.90 80  A  1 
ATOM   609  C CG2 . ILE    A  1  80  ? 21.860  5.847   -10.574 1.00 82.57 80  A  1 
ATOM   610  C CD1 . ILE    A  1  80  ? 23.568  6.608   -13.202 1.00 78.90 80  A  1 
ATOM   611  N N   . PHE    A  1  81  ? 18.926  7.199   -12.910 1.00 91.64 81  A  1 
ATOM   612  C CA  . PHE    A  1  81  ? 17.927  6.329   -13.514 1.00 91.98 81  A  1 
ATOM   613  C C   . PHE    A  1  81  ? 18.588  5.267   -14.380 1.00 92.18 81  A  1 
ATOM   614  O O   . PHE    A  1  81  ? 19.459  5.570   -15.191 1.00 90.30 81  A  1 
ATOM   615  C CB  . PHE    A  1  81  ? 16.941  7.152   -14.340 1.00 91.24 81  A  1 
ATOM   616  C CG  . PHE    A  1  81  ? 16.054  8.041   -13.508 1.00 90.57 81  A  1 
ATOM   617  C CD1 . PHE    A  1  81  ? 15.082  7.469   -12.674 1.00 85.23 81  A  1 
ATOM   618  C CD2 . PHE    A  1  81  ? 16.206  9.436   -13.542 1.00 84.79 81  A  1 
ATOM   619  C CE1 . PHE    A  1  81  ? 14.268  8.284   -11.874 1.00 83.78 81  A  1 
ATOM   620  C CE2 . PHE    A  1  81  ? 15.394  10.252  -12.744 1.00 83.01 81  A  1 
ATOM   621  C CZ  . PHE    A  1  81  ? 14.425  9.673   -11.904 1.00 86.69 81  A  1 
ATOM   622  N N   . VAL    A  1  82  ? 18.109  4.053   -14.255 1.00 91.65 82  A  1 
ATOM   623  C CA  . VAL    A  1  82  ? 18.347  2.992   -15.229 1.00 91.94 82  A  1 
ATOM   624  C C   . VAL    A  1  82  ? 17.095  2.909   -16.089 1.00 91.58 82  A  1 
ATOM   625  O O   . VAL    A  1  82  ? 16.047  2.463   -15.626 1.00 89.32 82  A  1 
ATOM   626  C CB  . VAL    A  1  82  ? 18.683  1.664   -14.529 1.00 90.97 82  A  1 
ATOM   627  C CG1 . VAL    A  1  82  ? 18.747  0.506   -15.517 1.00 82.93 82  A  1 
ATOM   628  C CG2 . VAL    A  1  82  ? 20.046  1.759   -13.839 1.00 83.18 82  A  1 
ATOM   629  N N   . LEU    A  1  83  ? 17.189  3.380   -17.309 1.00 91.93 83  A  1 
ATOM   630  C CA  . LEU    A  1  83  ? 16.077  3.388   -18.252 1.00 92.36 83  A  1 
ATOM   631  C C   . LEU    A  1  83  ? 16.193  2.169   -19.162 1.00 92.42 83  A  1 
ATOM   632  O O   . LEU    A  1  83  ? 17.084  2.106   -20.006 1.00 90.12 83  A  1 
ATOM   633  C CB  . LEU    A  1  83  ? 16.082  4.727   -19.003 1.00 90.94 83  A  1 
ATOM   634  C CG  . LEU    A  1  83  ? 14.997  4.872   -20.078 1.00 88.81 83  A  1 
ATOM   635  C CD1 . LEU    A  1  83  ? 13.589  4.597   -19.564 1.00 80.32 83  A  1 
ATOM   636  C CD2 . LEU    A  1  83  ? 15.018  6.309   -20.606 1.00 81.40 83  A  1 
ATOM   637  N N   . ALA    A  1  84  ? 15.301  1.222   -18.979 1.00 91.87 84  A  1 
ATOM   638  C CA  . ALA    A  1  84  ? 15.340  -0.042  -19.688 1.00 92.15 84  A  1 
ATOM   639  C C   . ALA    A  1  84  ? 14.306  -0.110  -20.815 1.00 91.87 84  A  1 
ATOM   640  O O   . ALA    A  1  84  ? 13.150  0.280   -20.648 1.00 88.84 84  A  1 
ATOM   641  C CB  . ALA    A  1  84  ? 15.173  -1.178  -18.675 1.00 90.75 84  A  1 
ATOM   642  N N   . PHE    A  1  85  ? 14.711  -0.683  -21.919 1.00 91.73 85  A  1 
ATOM   643  C CA  . PHE    A  1  85  ? 13.835  -1.131  -22.996 1.00 91.88 85  A  1 
ATOM   644  C C   . PHE    A  1  85  ? 14.210  -2.564  -23.386 1.00 91.48 85  A  1 
ATOM   645  O O   . PHE    A  1  85  ? 15.291  -3.044  -23.052 1.00 89.35 85  A  1 
ATOM   646  C CB  . PHE    A  1  85  ? 13.911  -0.160  -24.184 1.00 91.45 85  A  1 
ATOM   647  C CG  . PHE    A  1  85  ? 15.208  -0.209  -24.953 1.00 91.90 85  A  1 
ATOM   648  C CD1 . PHE    A  1  85  ? 16.309  0.557   -24.536 1.00 85.61 85  A  1 
ATOM   649  C CD2 . PHE    A  1  85  ? 15.328  -1.029  -26.081 1.00 85.57 85  A  1 
ATOM   650  C CE1 . PHE    A  1  85  ? 17.516  0.494   -25.238 1.00 86.03 85  A  1 
ATOM   651  C CE2 . PHE    A  1  85  ? 16.536  -1.098  -26.787 1.00 85.15 85  A  1 
ATOM   652  C CZ  . PHE    A  1  85  ? 17.633  -0.336  -26.362 1.00 89.11 85  A  1 
ATOM   653  N N   . SER    A  1  86  ? 13.326  -3.250  -24.079 1.00 92.42 86  A  1 
ATOM   654  C CA  . SER    A  1  86  ? 13.619  -4.597  -24.569 1.00 91.98 86  A  1 
ATOM   655  C C   . SER    A  1  86  ? 14.174  -4.539  -25.986 1.00 91.93 86  A  1 
ATOM   656  O O   . SER    A  1  86  ? 13.537  -3.973  -26.870 1.00 89.90 86  A  1 
ATOM   657  C CB  . SER    A  1  86  ? 12.355  -5.449  -24.517 1.00 90.36 86  A  1 
ATOM   658  O OG  . SER    A  1  86  ? 12.595  -6.732  -25.049 1.00 80.61 86  A  1 
ATOM   659  N N   . LEU    A  1  87  ? 15.280  -5.202  -26.215 1.00 91.33 87  A  1 
ATOM   660  C CA  . LEU    A  1  87  ? 15.896  -5.316  -27.542 1.00 91.57 87  A  1 
ATOM   661  C C   . LEU    A  1  87  ? 15.010  -6.039  -28.567 1.00 90.84 87  A  1 
ATOM   662  O O   . LEU    A  1  87  ? 15.242  -5.913  -29.761 1.00 88.06 87  A  1 
ATOM   663  C CB  . LEU    A  1  87  ? 17.237  -6.045  -27.393 1.00 91.11 87  A  1 
ATOM   664  C CG  . LEU    A  1  87  ? 18.307  -5.236  -26.640 1.00 90.33 87  A  1 
ATOM   665  C CD1 . LEU    A  1  87  ? 19.471  -6.142  -26.262 1.00 84.94 87  A  1 
ATOM   666  C CD2 . LEU    A  1  87  ? 18.847  -4.092  -27.500 1.00 85.27 87  A  1 
ATOM   667  N N   . ILE    A  1  88  ? 14.005  -6.736  -28.103 1.00 90.49 88  A  1 
ATOM   668  C CA  . ILE    A  1  88  ? 13.035  -7.440  -28.947 1.00 89.63 88  A  1 
ATOM   669  C C   . ILE    A  1  88  ? 11.674  -6.734  -29.010 1.00 89.37 88  A  1 
ATOM   670  O O   . ILE    A  1  88  ? 10.711  -7.284  -29.531 1.00 85.16 88  A  1 
ATOM   671  C CB  . ILE    A  1  88  ? 12.909  -8.912  -28.511 1.00 87.55 88  A  1 
ATOM   672  C CG1 . ILE    A  1  88  ? 12.375  -9.041  -27.072 1.00 79.11 88  A  1 
ATOM   673  C CG2 . ILE    A  1  88  ? 14.262  -9.625  -28.655 1.00 75.46 88  A  1 
ATOM   674  C CD1 . ILE    A  1  88  ? 11.693  -10.370 -26.794 1.00 71.81 88  A  1 
ATOM   675  N N   . SER    A  1  89  ? 11.564  -5.537  -28.463 1.00 89.72 89  A  1 
ATOM   676  C CA  . SER    A  1  89  ? 10.319  -4.772  -28.462 1.00 89.44 89  A  1 
ATOM   677  C C   . SER    A  1  89  ? 10.550  -3.356  -28.963 1.00 90.07 89  A  1 
ATOM   678  O O   . SER    A  1  89  ? 10.964  -2.470  -28.215 1.00 88.36 89  A  1 
ATOM   679  C CB  . SER    A  1  89  ? 9.695   -4.761  -27.071 1.00 87.74 89  A  1 
ATOM   680  O OG  . SER    A  1  89  ? 8.550   -3.927  -27.060 1.00 81.41 89  A  1 
ATOM   681  N N   . LYS    A  1  90  ? 10.197  -3.137  -30.216 1.00 90.22 90  A  1 
ATOM   682  C CA  . LYS    A  1  90  ? 10.313  -1.821  -30.836 1.00 90.55 90  A  1 
ATOM   683  C C   . LYS    A  1  90  ? 9.458   -0.766  -30.130 1.00 91.30 90  A  1 
ATOM   684  O O   . LYS    A  1  90  ? 9.898   0.365   -29.976 1.00 89.10 90  A  1 
ATOM   685  C CB  . LYS    A  1  90  ? 9.968   -1.955  -32.319 1.00 89.05 90  A  1 
ATOM   686  C CG  . LYS    A  1  90  ? 10.473  -0.752  -33.112 1.00 80.87 90  A  1 
ATOM   687  C CD  . LYS    A  1  90  ? 10.319  -1.018  -34.604 1.00 74.61 90  A  1 
ATOM   688  C CE  . LYS    A  1  90  ? 10.920  0.136   -35.395 1.00 66.54 90  A  1 
ATOM   689  N NZ  . LYS    A  1  90  ? 10.916  -0.145  -36.841 1.00 58.38 90  A  1 
ATOM   690  N N   . ALA    A  1  91  ? 8.302   -1.157  -29.648 1.00 90.94 91  A  1 
ATOM   691  C CA  . ALA    A  1  91  ? 7.451   -0.259  -28.872 1.00 90.86 91  A  1 
ATOM   692  C C   . ALA    A  1  91  ? 8.154   0.241   -27.600 1.00 91.29 91  A  1 
ATOM   693  O O   . ALA    A  1  91  ? 8.125   1.434   -27.311 1.00 88.64 91  A  1 
ATOM   694  C CB  . ALA    A  1  91  ? 6.151   -0.991  -28.543 1.00 89.25 91  A  1 
ATOM   695  N N   . SER    A  1  92  ? 8.841   -0.642  -26.895 1.00 90.49 92  A  1 
ATOM   696  C CA  . SER    A  1  92  ? 9.594   -0.243  -25.703 1.00 90.22 92  A  1 
ATOM   697  C C   . SER    A  1  92  ? 10.755  0.700   -26.024 1.00 90.59 92  A  1 
ATOM   698  O O   . SER    A  1  92  ? 11.043  1.596   -25.234 1.00 87.93 92  A  1 
ATOM   699  C CB  . SER    A  1  92  ? 10.096  -1.469  -24.936 1.00 88.99 92  A  1 
ATOM   700  O OG  . SER    A  1  92  ? 11.172  -2.116  -25.572 1.00 82.22 92  A  1 
ATOM   701  N N   . TYR    A  1  93  ? 11.376  0.518   -27.166 1.00 90.89 93  A  1 
ATOM   702  C CA  . TYR    A  1  93  ? 12.434  1.404   -27.648 1.00 91.99 93  A  1 
ATOM   703  C C   . TYR    A  1  93  ? 11.898  2.803   -27.979 1.00 92.07 93  A  1 
ATOM   704  O O   . TYR    A  1  93  ? 12.452  3.806   -27.542 1.00 90.14 93  A  1 
ATOM   705  C CB  . TYR    A  1  93  ? 13.090  0.753   -28.871 1.00 91.78 93  A  1 
ATOM   706  C CG  . TYR    A  1  93  ? 14.132  1.608   -29.542 1.00 92.14 93  A  1 
ATOM   707  C CD1 . TYR    A  1  93  ? 13.772  2.495   -30.576 1.00 85.94 93  A  1 
ATOM   708  C CD2 . TYR    A  1  93  ? 15.479  1.517   -29.147 1.00 86.76 93  A  1 
ATOM   709  C CE1 . TYR    A  1  93  ? 14.741  3.282   -31.206 1.00 86.00 93  A  1 
ATOM   710  C CE2 . TYR    A  1  93  ? 16.460  2.297   -29.775 1.00 85.61 93  A  1 
ATOM   711  C CZ  . TYR    A  1  93  ? 16.086  3.180   -30.806 1.00 89.30 93  A  1 
ATOM   712  O OH  . TYR    A  1  93  ? 17.043  3.942   -31.424 1.00 88.15 93  A  1 
ATOM   713  N N   . GLU    A  1  94  ? 10.790  2.860   -28.686 1.00 92.27 94  A  1 
ATOM   714  C CA  . GLU    A  1  94  ? 10.176  4.143   -29.036 1.00 92.28 94  A  1 
ATOM   715  C C   . GLU    A  1  94  ? 9.641   4.897   -27.814 1.00 92.16 94  A  1 
ATOM   716  O O   . GLU    A  1  94  ? 9.731   6.125   -27.759 1.00 89.73 94  A  1 
ATOM   717  C CB  . GLU    A  1  94  ? 9.042   3.913   -30.030 1.00 91.01 94  A  1 
ATOM   718  C CG  . GLU    A  1  94  ? 9.545   3.495   -31.414 1.00 86.01 94  A  1 
ATOM   719  C CD  . GLU    A  1  94  ? 8.412   3.371   -32.436 1.00 82.19 94  A  1 
ATOM   720  O OE1 . GLU    A  1  94  ? 8.630   2.705   -33.470 1.00 74.49 94  A  1 
ATOM   721  O OE2 . GLU    A  1  94  ? 7.350   4.004   -32.217 1.00 74.75 94  A  1 
ATOM   722  N N   . ASN    A  1  95  ? 9.140   4.173   -26.845 1.00 90.59 95  A  1 
ATOM   723  C CA  . ASN    A  1  95  ? 8.630   4.765   -25.614 1.00 90.29 95  A  1 
ATOM   724  C C   . ASN    A  1  95  ? 9.723   5.376   -24.729 1.00 90.60 95  A  1 
ATOM   725  O O   . ASN    A  1  95  ? 9.411   6.249   -23.926 1.00 88.15 95  A  1 
ATOM   726  C CB  . ASN    A  1  95  ? 7.799   3.730   -24.855 1.00 88.99 95  A  1 
ATOM   727  C CG  . ASN    A  1  95  ? 6.411   3.543   -25.437 1.00 86.95 95  A  1 
ATOM   728  O OD1 . ASN    A  1  95  ? 5.869   4.392   -26.123 1.00 78.05 95  A  1 
ATOM   729  N ND2 . ASN    A  1  95  ? 5.778   2.439   -25.116 1.00 78.12 95  A  1 
ATOM   730  N N   . VAL    A  1  96  ? 10.965  5.012   -24.917 1.00 91.10 96  A  1 
ATOM   731  C CA  . VAL    A  1  96  ? 12.071  5.701   -24.232 1.00 91.14 96  A  1 
ATOM   732  C C   . VAL    A  1  96  ? 12.031  7.201   -24.527 1.00 91.30 96  A  1 
ATOM   733  O O   . VAL    A  1  96  ? 12.114  8.016   -23.606 1.00 89.31 96  A  1 
ATOM   734  C CB  . VAL    A  1  96  ? 13.429  5.110   -24.636 1.00 90.50 96  A  1 
ATOM   735  C CG1 . VAL    A  1  96  ? 14.605  5.927   -24.095 1.00 81.84 96  A  1 
ATOM   736  C CG2 . VAL    A  1  96  ? 13.580  3.685   -24.097 1.00 83.13 96  A  1 
ATOM   737  N N   . LEU    A  1  97  ? 11.841  7.558   -25.779 1.00 91.93 97  A  1 
ATOM   738  C CA  . LEU    A  1  97  ? 11.801  8.959   -26.175 1.00 92.00 97  A  1 
ATOM   739  C C   . LEU    A  1  97  ? 10.413  9.587   -25.984 1.00 92.07 97  A  1 
ATOM   740  O O   . LEU    A  1  97  ? 10.306  10.737  -25.555 1.00 89.49 97  A  1 
ATOM   741  C CB  . LEU    A  1  97  ? 12.276  9.054   -27.631 1.00 90.28 97  A  1 
ATOM   742  C CG  . LEU    A  1  97  ? 12.581  10.494  -28.062 1.00 82.91 97  A  1 
ATOM   743  C CD1 . LEU    A  1  97  ? 13.866  11.013  -27.430 1.00 76.12 97  A  1 
ATOM   744  C CD2 . LEU    A  1  97  ? 12.739  10.549  -29.577 1.00 75.80 97  A  1 
ATOM   745  N N   . LYS    A  1  98  ? 9.372   8.842   -26.299 1.00 92.39 98  A  1 
ATOM   746  C CA  . LYS    A  1  98  ? 8.000   9.364   -26.327 1.00 92.34 98  A  1 
ATOM   747  C C   . LYS    A  1  98  ? 7.358   9.467   -24.942 1.00 92.21 98  A  1 
ATOM   748  O O   . LYS    A  1  98  ? 6.572   10.381  -24.713 1.00 89.45 98  A  1 
ATOM   749  C CB  . LYS    A  1  98  ? 7.131   8.483   -27.237 1.00 90.98 98  A  1 
ATOM   750  C CG  . LYS    A  1  98  ? 7.508   8.558   -28.728 1.00 81.76 98  A  1 
ATOM   751  C CD  . LYS    A  1  98  ? 6.650   7.573   -29.533 1.00 76.99 98  A  1 
ATOM   752  C CE  . LYS    A  1  98  ? 7.030   7.553   -31.013 1.00 66.19 98  A  1 
ATOM   753  N NZ  . LYS    A  1  98  ? 6.375   6.423   -31.735 1.00 58.45 98  A  1 
ATOM   754  N N   . LYS    A  1  99  ? 7.671   8.540   -24.065 1.00 91.45 99  A  1 
ATOM   755  C CA  . LYS    A  1  99  ? 7.015   8.407   -22.761 1.00 91.21 99  A  1 
ATOM   756  C C   . LYS    A  1  99  ? 7.968   8.674   -21.603 1.00 91.48 99  A  1 
ATOM   757  O O   . LYS    A  1  99  ? 7.697   9.535   -20.769 1.00 89.48 99  A  1 
ATOM   758  C CB  . LYS    A  1  99  ? 6.371   7.012   -22.689 1.00 89.15 99  A  1 
ATOM   759  C CG  . LYS    A  1  99  ? 5.639   6.720   -21.374 1.00 81.52 99  A  1 
ATOM   760  C CD  . LYS    A  1  99  ? 5.028   5.320   -21.443 1.00 79.25 99  A  1 
ATOM   761  C CE  . LYS    A  1  99  ? 4.329   4.934   -20.148 1.00 71.26 99  A  1 
ATOM   762  N NZ  . LYS    A  1  99  ? 3.619   3.634   -20.299 1.00 65.72 99  A  1 
ATOM   763  N N   . TRP    A  1  100 ? 9.066   7.953   -21.563 1.00 91.83 100 A  1 
ATOM   764  C CA  . TRP    A  1  100 ? 9.946   7.987   -20.399 1.00 91.75 100 A  1 
ATOM   765  C C   . TRP    A  1  100 ? 10.756  9.265   -20.280 1.00 91.85 100 A  1 
ATOM   766  O O   . TRP    A  1  100 ? 10.832  9.842   -19.199 1.00 89.20 100 A  1 
ATOM   767  C CB  . TRP    A  1  100 ? 10.855  6.758   -20.403 1.00 91.06 100 A  1 
ATOM   768  C CG  . TRP    A  1  100 ? 10.081  5.499   -20.266 1.00 90.15 100 A  1 
ATOM   769  C CD1 . TRP    A  1  100 ? 9.788   4.628   -21.257 1.00 83.60 100 A  1 
ATOM   770  C CD2 . TRP    A  1  100 ? 9.394   5.026   -19.080 1.00 87.63 100 A  1 
ATOM   771  N NE1 . TRP    A  1  100 ? 8.952   3.638   -20.768 1.00 85.01 100 A  1 
ATOM   772  C CE2 . TRP    A  1  100 ? 8.671   3.860   -19.438 1.00 86.01 100 A  1 
ATOM   773  C CE3 . TRP    A  1  100 ? 9.293   5.489   -17.753 1.00 84.37 100 A  1 
ATOM   774  C CZ2 . TRP    A  1  100 ? 7.842   3.185   -18.518 1.00 86.09 100 A  1 
ATOM   775  C CZ3 . TRP    A  1  100 ? 8.478   4.809   -16.832 1.00 79.88 100 A  1 
ATOM   776  C CH2 . TRP    A  1  100 ? 7.753   3.675   -17.217 1.00 81.88 100 A  1 
ATOM   777  N N   . MET    A  1  101 ? 11.302  9.743   -21.345 1.00 91.88 101 A  1 
ATOM   778  C CA  . MET    A  1  101 ? 12.084  10.975  -21.291 1.00 92.08 101 A  1 
ATOM   779  C C   . MET    A  1  101 ? 11.258  12.207  -20.894 1.00 91.89 101 A  1 
ATOM   780  O O   . MET    A  1  101 ? 11.740  12.979  -20.065 1.00 89.69 101 A  1 
ATOM   781  C CB  . MET    A  1  101 ? 12.840  11.203  -22.599 1.00 91.37 101 A  1 
ATOM   782  C CG  . MET    A  1  101 ? 14.021  10.244  -22.745 1.00 86.07 101 A  1 
ATOM   783  S SD  . MET    A  1  101 ? 15.256  10.316  -21.414 1.00 85.31 101 A  1 
ATOM   784  C CE  . MET    A  1  101 ? 15.720  12.049  -21.453 1.00 77.09 101 A  1 
ATOM   785  N N   . PRO    A  1  102 ? 10.046  12.386  -21.400 1.00 91.44 102 A  1 
ATOM   786  C CA  . PRO    A  1  102 ? 9.178   13.449  -20.895 1.00 91.27 102 A  1 
ATOM   787  C C   . PRO    A  1  102 ? 8.849   13.318  -19.405 1.00 91.23 102 A  1 
ATOM   788  O O   . PRO    A  1  102 ? 8.893   14.321  -18.691 1.00 88.95 102 A  1 
ATOM   789  C CB  . PRO    A  1  102 ? 7.918   13.374  -21.757 1.00 89.97 102 A  1 
ATOM   790  C CG  . PRO    A  1  102 ? 8.418   12.784  -23.062 1.00 87.75 102 A  1 
ATOM   791  C CD  . PRO    A  1  102 ? 9.500   11.819  -22.613 1.00 90.75 102 A  1 
ATOM   792  N N   . GLU    A  1  103 ? 8.577   12.120  -18.935 1.00 90.66 103 A  1 
ATOM   793  C CA  . GLU    A  1  103 ? 8.286   11.875  -17.520 1.00 90.15 103 A  1 
ATOM   794  C C   . GLU    A  1  103 ? 9.505   12.173  -16.633 1.00 90.12 103 A  1 
ATOM   795  O O   . GLU    A  1  103 ? 9.411   12.960  -15.690 1.00 87.88 103 A  1 
ATOM   796  C CB  . GLU    A  1  103 ? 7.777   10.431  -17.338 1.00 88.47 103 A  1 
ATOM   797  C CG  . GLU    A  1  103 ? 7.258   10.183  -15.919 1.00 83.53 103 A  1 
ATOM   798  C CD  . GLU    A  1  103 ? 6.703   8.760   -15.736 1.00 82.38 103 A  1 
ATOM   799  O OE1 . GLU    A  1  103 ? 7.280   7.986   -14.957 1.00 76.96 103 A  1 
ATOM   800  O OE2 . GLU    A  1  103 ? 5.683   8.410   -16.368 1.00 77.12 103 A  1 
ATOM   801  N N   . LEU    A  1  104 ? 10.647  11.630  -16.979 1.00 90.10 104 A  1 
ATOM   802  C CA  . LEU    A  1  104 ? 11.880  11.849  -16.218 1.00 90.10 104 A  1 
ATOM   803  C C   . LEU    A  1  104 ? 12.307  13.321  -16.215 1.00 89.52 104 A  1 
ATOM   804  O O   . LEU    A  1  104 ? 12.701  13.840  -15.175 1.00 86.45 104 A  1 
ATOM   805  C CB  . LEU    A  1  104 ? 13.006  10.974  -16.779 1.00 89.16 104 A  1 
ATOM   806  C CG  . LEU    A  1  104 ? 12.800  9.462   -16.603 1.00 87.62 104 A  1 
ATOM   807  C CD1 . LEU    A  1  104 ? 13.971  8.725   -17.244 1.00 80.42 104 A  1 
ATOM   808  C CD2 . LEU    A  1  104 ? 12.719  9.052   -15.135 1.00 80.96 104 A  1 
ATOM   809  N N   . ARG    A  1  105 ? 12.176  13.997  -17.325 1.00 91.11 105 A  1 
ATOM   810  C CA  . ARG    A  1  105 ? 12.502  15.429  -17.394 1.00 90.49 105 A  1 
ATOM   811  C C   . ARG    A  1  105 ? 11.541  16.285  -16.582 1.00 90.55 105 A  1 
ATOM   812  O O   . ARG    A  1  105 ? 11.946  17.328  -16.087 1.00 87.16 105 A  1 
ATOM   813  C CB  . ARG    A  1  105 ? 12.517  15.903  -18.848 1.00 89.17 105 A  1 
ATOM   814  C CG  . ARG    A  1  105 ? 13.762  15.414  -19.592 1.00 82.28 105 A  1 
ATOM   815  C CD  . ARG    A  1  105 ? 13.684  15.869  -21.039 1.00 77.10 105 A  1 
ATOM   816  N NE  . ARG    A  1  105 ? 14.825  15.366  -21.820 1.00 68.85 105 A  1 
ATOM   817  C CZ  . ARG    A  1  105 ? 15.002  15.543  -23.121 1.00 62.46 105 A  1 
ATOM   818  N NH1 . ARG    A  1  105 ? 14.181  16.251  -23.844 1.00 54.82 105 A  1 
ATOM   819  N NH2 . ARG    A  1  105 ? 16.024  14.996  -23.719 1.00 55.75 105 A  1 
ATOM   820  N N   . ARG    A  1  106 ? 10.322  15.854  -16.459 1.00 90.50 106 A  1 
ATOM   821  C CA  . ARG    A  1  106 ? 9.332   16.588  -15.677 1.00 90.22 106 A  1 
ATOM   822  C C   . ARG    A  1  106 ? 9.593   16.485  -14.179 1.00 89.98 106 A  1 
ATOM   823  O O   . ARG    A  1  106 ? 9.487   17.487  -13.480 1.00 87.17 106 A  1 
ATOM   824  C CB  . ARG    A  1  106 ? 7.937   16.082  -16.055 1.00 88.54 106 A  1 
ATOM   825  C CG  . ARG    A  1  106 ? 6.834   16.829  -15.300 1.00 80.90 106 A  1 
ATOM   826  C CD  . ARG    A  1  106 ? 5.470   16.331  -15.755 1.00 78.30 106 A  1 
ATOM   827  N NE  . ARG    A  1  106 ? 4.392   16.971  -14.980 1.00 70.03 106 A  1 
ATOM   828  C CZ  . ARG    A  1  106 ? 3.097   16.754  -15.127 1.00 64.81 106 A  1 
ATOM   829  N NH1 . ARG    A  1  106 ? 2.641   15.939  -16.038 1.00 58.66 106 A  1 
ATOM   830  N NH2 . ARG    A  1  106 ? 2.240   17.352  -14.358 1.00 57.29 106 A  1 
ATOM   831  N N   . PHE    A  1  107 ? 9.920   15.313  -13.711 1.00 89.08 107 A  1 
ATOM   832  C CA  . PHE    A  1  107 ? 10.041  15.067  -12.269 1.00 88.03 107 A  1 
ATOM   833  C C   . PHE    A  1  107 ? 11.478  15.087  -11.735 1.00 87.49 107 A  1 
ATOM   834  O O   . PHE    A  1  107 ? 11.688  15.422  -10.567 1.00 82.38 107 A  1 
ATOM   835  C CB  . PHE    A  1  107 ? 9.341   13.753  -11.933 1.00 86.45 107 A  1 
ATOM   836  C CG  . PHE    A  1  107 ? 7.843   13.800  -12.140 1.00 85.12 107 A  1 
ATOM   837  C CD1 . PHE    A  1  107 ? 7.029   14.496  -11.231 1.00 78.04 107 A  1 
ATOM   838  C CD2 . PHE    A  1  107 ? 7.250   13.162  -13.243 1.00 77.66 107 A  1 
ATOM   839  C CE1 . PHE    A  1  107 ? 5.641   14.550  -11.425 1.00 75.97 107 A  1 
ATOM   840  C CE2 . PHE    A  1  107 ? 5.862   13.217  -13.440 1.00 75.17 107 A  1 
ATOM   841  C CZ  . PHE    A  1  107 ? 5.056   13.912  -12.529 1.00 76.94 107 A  1 
ATOM   842  N N   . ALA    A  1  108 ? 12.446  14.750  -12.568 1.00 89.00 108 A  1 
ATOM   843  C CA  . ALA    A  1  108 ? 13.847  14.664  -12.169 1.00 88.82 108 A  1 
ATOM   844  C C   . ALA    A  1  108 ? 14.809  15.077  -13.304 1.00 89.02 108 A  1 
ATOM   845  O O   . ALA    A  1  108 ? 15.661  14.299  -13.726 1.00 85.07 108 A  1 
ATOM   846  C CB  . ALA    A  1  108 ? 14.105  13.249  -11.645 1.00 86.94 108 A  1 
ATOM   847  N N   . PRO    A  1  109 ? 14.701  16.303  -13.795 1.00 88.98 109 A  1 
ATOM   848  C CA  . PRO    A  1  109 ? 15.371  16.724  -15.030 1.00 87.47 109 A  1 
ATOM   849  C C   . PRO    A  1  109 ? 16.905  16.743  -14.975 1.00 86.31 109 A  1 
ATOM   850  O O   . PRO    A  1  109 ? 17.551  16.793  -16.014 1.00 79.22 109 A  1 
ATOM   851  C CB  . PRO    A  1  109 ? 14.818  18.126  -15.302 1.00 85.34 109 A  1 
ATOM   852  C CG  . PRO    A  1  109 ? 14.412  18.635  -13.924 1.00 82.39 109 A  1 
ATOM   853  C CD  . PRO    A  1  109 ? 13.902  17.373  -13.243 1.00 85.92 109 A  1 
ATOM   854  N N   . ASN    A  1  110 ? 17.480  16.745  -13.804 1.00 88.26 110 A  1 
ATOM   855  C CA  . ASN    A  1  110 ? 18.933  16.842  -13.639 1.00 87.81 110 A  1 
ATOM   856  C C   . ASN    A  1  110 ? 19.598  15.515  -13.251 1.00 88.25 110 A  1 
ATOM   857  O O   . ASN    A  1  110 ? 20.791  15.506  -12.954 1.00 83.60 110 A  1 
ATOM   858  C CB  . ASN    A  1  110 ? 19.244  17.935  -12.606 1.00 84.68 110 A  1 
ATOM   859  C CG  . ASN    A  1  110 ? 18.752  19.303  -13.035 1.00 78.87 110 A  1 
ATOM   860  O OD1 . ASN    A  1  110 ? 19.003  19.796  -14.115 1.00 68.69 110 A  1 
ATOM   861  N ND2 . ASN    A  1  110 ? 18.030  19.975  -12.166 1.00 68.54 110 A  1 
ATOM   862  N N   . VAL    A  1  111 ? 18.838  14.461  -13.198 1.00 89.30 111 A  1 
ATOM   863  C CA  . VAL    A  1  111 ? 19.358  13.150  -12.806 1.00 89.96 111 A  1 
ATOM   864  C C   . VAL    A  1  111 ? 19.893  12.440  -14.047 1.00 90.68 111 A  1 
ATOM   865  O O   . VAL    A  1  111 ? 19.197  12.400  -15.060 1.00 88.39 111 A  1 
ATOM   866  C CB  . VAL    A  1  111 ? 18.274  12.337  -12.081 1.00 88.65 111 A  1 
ATOM   867  C CG1 . VAL    A  1  111 ? 18.777  10.958  -11.671 1.00 80.60 111 A  1 
ATOM   868  C CG2 . VAL    A  1  111 ? 17.828  13.068  -10.809 1.00 81.21 111 A  1 
ATOM   869  N N   . PRO    A  1  112 ? 21.111  11.912  -13.997 1.00 90.96 112 A  1 
ATOM   870  C CA  . PRO    A  1  112 ? 21.678  11.190  -15.131 1.00 91.47 112 A  1 
ATOM   871  C C   . PRO    A  1  112 ? 20.927  9.886   -15.402 1.00 92.03 112 A  1 
ATOM   872  O O   . PRO    A  1  112 ? 20.266  9.331   -14.523 1.00 89.51 112 A  1 
ATOM   873  C CB  . PRO    A  1  112 ? 23.149  10.962  -14.769 1.00 89.53 112 A  1 
ATOM   874  C CG  . PRO    A  1  112 ? 23.133  10.943  -13.244 1.00 85.96 112 A  1 
ATOM   875  C CD  . PRO    A  1  112 ? 22.043  11.945  -12.891 1.00 88.74 112 A  1 
ATOM   876  N N   . ILE    A  1  113 ? 21.060  9.402   -16.620 1.00 91.26 113 A  1 
ATOM   877  C CA  . ILE    A  1  113 ? 20.357  8.210   -17.100 1.00 91.96 113 A  1 
ATOM   878  C C   . ILE    A  1  113 ? 21.368  7.236   -17.704 1.00 92.24 113 A  1 
ATOM   879  O O   . ILE    A  1  113 ? 22.204  7.636   -18.517 1.00 89.83 113 A  1 
ATOM   880  C CB  . ILE    A  1  113 ? 19.265  8.602   -18.121 1.00 90.59 113 A  1 
ATOM   881  C CG1 . ILE    A  1  113 ? 18.229  9.573   -17.499 1.00 82.90 113 A  1 
ATOM   882  C CG2 . ILE    A  1  113 ? 18.559  7.353   -18.673 1.00 82.50 113 A  1 
ATOM   883  C CD1 . ILE    A  1  113 ? 17.309  10.238  -18.522 1.00 79.59 113 A  1 
ATOM   884  N N   . VAL    A  1  114 ? 21.243  5.981   -17.344 1.00 92.26 114 A  1 
ATOM   885  C CA  . VAL    A  1  114 ? 21.886  4.863   -18.043 1.00 92.57 114 A  1 
ATOM   886  C C   . VAL    A  1  114 ? 20.814  4.155   -18.855 1.00 92.53 114 A  1 
ATOM   887  O O   . VAL    A  1  114 ? 19.829  3.680   -18.295 1.00 90.27 114 A  1 
ATOM   888  C CB  . VAL    A  1  114 ? 22.577  3.906   -17.056 1.00 91.55 114 A  1 
ATOM   889  C CG1 . VAL    A  1  114 ? 23.154  2.677   -17.763 1.00 81.88 114 A  1 
ATOM   890  C CG2 . VAL    A  1  114 ? 23.735  4.614   -16.348 1.00 82.18 114 A  1 
ATOM   891  N N   . LEU    A  1  115 ? 20.990  4.106   -20.157 1.00 92.51 115 A  1 
ATOM   892  C CA  . LEU    A  1  115 ? 20.077  3.400   -21.050 1.00 93.07 115 A  1 
ATOM   893  C C   . LEU    A  1  115 ? 20.469  1.923   -21.107 1.00 93.17 115 A  1 
ATOM   894  O O   . LEU    A  1  115 ? 21.638  1.602   -21.312 1.00 91.18 115 A  1 
ATOM   895  C CB  . LEU    A  1  115 ? 20.125  4.074   -22.428 1.00 92.32 115 A  1 
ATOM   896  C CG  . LEU    A  1  115 ? 19.151  3.471   -23.453 1.00 90.47 115 A  1 
ATOM   897  C CD1 . LEU    A  1  115 ? 17.695  3.739   -23.083 1.00 82.59 115 A  1 
ATOM   898  C CD2 . LEU    A  1  115 ? 19.406  4.090   -24.824 1.00 83.25 115 A  1 
ATOM   899  N N   . VAL    A  1  116 ? 19.500  1.041   -20.963 1.00 92.54 116 A  1 
ATOM   900  C CA  . VAL    A  1  116 ? 19.749  -0.404  -20.955 1.00 92.58 116 A  1 
ATOM   901  C C   . VAL    A  1  116 ? 18.832  -1.112  -21.939 1.00 92.27 116 A  1 
ATOM   902  O O   . VAL    A  1  116 ? 17.611  -0.994  -21.857 1.00 89.68 116 A  1 
ATOM   903  C CB  . VAL    A  1  116 ? 19.592  -0.984  -19.541 1.00 91.12 116 A  1 
ATOM   904  C CG1 . VAL    A  1  116 ? 19.895  -2.482  -19.518 1.00 80.32 116 A  1 
ATOM   905  C CG2 . VAL    A  1  116 ? 20.548  -0.304  -18.558 1.00 81.46 116 A  1 
ATOM   906  N N   . GLY    A  1  117 ? 19.417  -1.883  -22.844 1.00 92.49 117 A  1 
ATOM   907  C CA  . GLY    A  1  117 ? 18.698  -2.827  -23.686 1.00 92.36 117 A  1 
ATOM   908  C C   . GLY    A  1  117 ? 18.659  -4.194  -23.010 1.00 92.52 117 A  1 
ATOM   909  O O   . GLY    A  1  117 ? 19.700  -4.796  -22.770 1.00 89.84 117 A  1 
ATOM   910  N N   . THR    A  1  118 ? 17.476  -4.676  -22.706 1.00 91.72 118 A  1 
ATOM   911  C CA  . THR    A  1  118 ? 17.291  -5.961  -22.017 1.00 91.27 118 A  1 
ATOM   912  C C   . THR    A  1  118 ? 16.958  -7.092  -22.990 1.00 90.89 118 A  1 
ATOM   913  O O   . THR    A  1  118 ? 16.615  -6.847  -24.145 1.00 87.90 118 A  1 
ATOM   914  C CB  . THR    A  1  118 ? 16.219  -5.859  -20.928 1.00 89.75 118 A  1 
ATOM   915  O OG1 . THR    A  1  118 ? 14.974  -5.565  -21.507 1.00 79.28 118 A  1 
ATOM   916  C CG2 . THR    A  1  118 ? 16.524  -4.803  -19.875 1.00 78.74 118 A  1 
ATOM   917  N N   . LYS    A  1  119 ? 17.014  -8.321  -22.507 1.00 89.98 119 A  1 
ATOM   918  C CA  . LYS    A  1  119 ? 16.714  -9.538  -23.283 1.00 89.72 119 A  1 
ATOM   919  C C   . LYS    A  1  119 ? 17.689  -9.762  -24.448 1.00 90.00 119 A  1 
ATOM   920  O O   . LYS    A  1  119 ? 17.289  -10.206 -25.518 1.00 85.74 119 A  1 
ATOM   921  C CB  . LYS    A  1  119 ? 15.244  -9.579  -23.739 1.00 87.36 119 A  1 
ATOM   922  C CG  . LYS    A  1  119 ? 14.229  -9.370  -22.609 1.00 85.96 119 A  1 
ATOM   923  C CD  . LYS    A  1  119 ? 12.812  -9.500  -23.171 1.00 81.06 119 A  1 
ATOM   924  C CE  . LYS    A  1  119 ? 11.777  -9.275  -22.069 1.00 78.62 119 A  1 
ATOM   925  N NZ  . LYS    A  1  119 ? 10.400  -9.333  -22.604 1.00 70.53 119 A  1 
ATOM   926  N N   . LEU    A  1  120 ? 18.930  -9.462  -24.216 1.00 91.08 120 A  1 
ATOM   927  C CA  . LEU    A  1  120 ? 19.997  -9.689  -25.191 1.00 91.37 120 A  1 
ATOM   928  C C   . LEU    A  1  120 ? 20.042  -11.146 -25.665 1.00 90.76 120 A  1 
ATOM   929  O O   . LEU    A  1  120 ? 20.229  -11.385 -26.850 1.00 87.84 120 A  1 
ATOM   930  C CB  . LEU    A  1  120 ? 21.327  -9.263  -24.552 1.00 90.67 120 A  1 
ATOM   931  C CG  . LEU    A  1  120 ? 22.565  -9.459  -25.444 1.00 88.77 120 A  1 
ATOM   932  C CD1 . LEU    A  1  120 ? 22.477  -8.637  -26.728 1.00 80.21 120 A  1 
ATOM   933  C CD2 . LEU    A  1  120 ? 23.813  -9.008  -24.687 1.00 80.71 120 A  1 
ATOM   934  N N   . ASP    A  1  121 ? 19.789  -12.084 -24.783 1.00 90.29 121 A  1 
ATOM   935  C CA  . ASP    A  1  121 ? 19.734  -13.513 -25.090 1.00 88.66 121 A  1 
ATOM   936  C C   . ASP    A  1  121 ? 18.711  -13.858 -26.182 1.00 88.59 121 A  1 
ATOM   937  O O   . ASP    A  1  121 ? 18.972  -14.734 -26.999 1.00 84.26 121 A  1 
ATOM   938  C CB  . ASP    A  1  121 ? 19.425  -14.306 -23.810 1.00 86.40 121 A  1 
ATOM   939  C CG  . ASP    A  1  121 ? 18.098  -13.943 -23.132 1.00 81.66 121 A  1 
ATOM   940  O OD1 . ASP    A  1  121 ? 17.952  -12.778 -22.706 1.00 73.35 121 A  1 
ATOM   941  O OD2 . ASP    A  1  121 ? 17.249  -14.843 -22.958 1.00 75.01 121 A  1 
ATOM   942  N N   . LEU    A  1  122 ? 17.591  -13.170 -26.222 1.00 88.49 122 A  1 
ATOM   943  C CA  . LEU    A  1  122 ? 16.576  -13.405 -27.244 1.00 87.90 122 A  1 
ATOM   944  C C   . LEU    A  1  122 ? 16.939  -12.745 -28.575 1.00 87.26 122 A  1 
ATOM   945  O O   . LEU    A  1  122 ? 16.628  -13.292 -29.623 1.00 83.11 122 A  1 
ATOM   946  C CB  . LEU    A  1  122 ? 15.212  -12.908 -26.757 1.00 86.25 122 A  1 
ATOM   947  C CG  . LEU    A  1  122 ? 14.633  -13.678 -25.558 1.00 82.97 122 A  1 
ATOM   948  C CD1 . LEU    A  1  122 ? 13.310  -13.049 -25.139 1.00 76.73 122 A  1 
ATOM   949  C CD2 . LEU    A  1  122 ? 14.360  -15.149 -25.885 1.00 76.36 122 A  1 
ATOM   950  N N   . ARG    A  1  123 ? 17.574  -11.588 -28.536 1.00 86.68 123 A  1 
ATOM   951  C CA  . ARG    A  1  123 ? 18.033  -10.933 -29.771 1.00 86.48 123 A  1 
ATOM   952  C C   . ARG    A  1  123 ? 19.160  -11.719 -30.441 1.00 85.62 123 A  1 
ATOM   953  O O   . ARG    A  1  123 ? 19.232  -11.743 -31.662 1.00 81.48 123 A  1 
ATOM   954  C CB  . ARG    A  1  123 ? 18.489  -9.503  -29.468 1.00 85.14 123 A  1 
ATOM   955  C CG  . ARG    A  1  123 ? 18.745  -8.732  -30.775 1.00 81.97 123 A  1 
ATOM   956  C CD  . ARG    A  1  123 ? 19.498  -7.434  -30.537 1.00 82.19 123 A  1 
ATOM   957  N NE  . ARG    A  1  123 ? 20.872  -7.707  -30.102 1.00 81.33 123 A  1 
ATOM   958  C CZ  . ARG    A  1  123 ? 21.740  -6.804  -29.671 1.00 84.13 123 A  1 
ATOM   959  N NH1 . ARG    A  1  123 ? 21.456  -5.527  -29.654 1.00 74.22 123 A  1 
ATOM   960  N NH2 . ARG    A  1  123 ? 22.908  -7.165  -29.239 1.00 77.44 123 A  1 
ATOM   961  N N   . ASP    A  1  124 ? 19.999  -12.339 -29.653 1.00 85.06 124 A  1 
ATOM   962  C CA  . ASP    A  1  124 ? 21.142  -13.102 -30.154 1.00 83.45 124 A  1 
ATOM   963  C C   . ASP    A  1  124 ? 20.774  -14.560 -30.484 1.00 82.69 124 A  1 
ATOM   964  O O   . ASP    A  1  124 ? 21.551  -15.266 -31.129 1.00 77.21 124 A  1 
ATOM   965  C CB  . ASP    A  1  124 ? 22.299  -12.989 -29.146 1.00 80.63 124 A  1 
ATOM   966  C CG  . ASP    A  1  124 ? 22.867  -11.564 -28.983 1.00 77.18 124 A  1 
ATOM   967  O OD1 . ASP    A  1  124 ? 22.472  -10.630 -29.723 1.00 70.12 124 A  1 
ATOM   968  O OD2 . ASP    A  1  124 ? 23.736  -11.385 -28.102 1.00 71.42 124 A  1 
ATOM   969  N N   . ASP    A  1  125 ? 19.583  -14.996 -30.103 1.00 84.58 125 A  1 
ATOM   970  C CA  . ASP    A  1  125 ? 19.062  -16.310 -30.456 1.00 83.33 125 A  1 
ATOM   971  C C   . ASP    A  1  125 ? 18.561  -16.334 -31.907 1.00 82.73 125 A  1 
ATOM   972  O O   . ASP    A  1  125 ? 17.572  -15.700 -32.282 1.00 77.96 125 A  1 
ATOM   973  C CB  . ASP    A  1  125 ? 17.976  -16.752 -29.466 1.00 79.70 125 A  1 
ATOM   974  C CG  . ASP    A  1  125 ? 17.486  -18.189 -29.711 1.00 74.26 125 A  1 
ATOM   975  O OD1 . ASP    A  1  125 ? 17.953  -18.836 -30.680 1.00 66.83 125 A  1 
ATOM   976  O OD2 . ASP    A  1  125 ? 16.635  -18.651 -28.927 1.00 66.51 125 A  1 
ATOM   977  N N   . LYS    A  1  126 ? 19.220  -17.126 -32.718 1.00 81.59 126 A  1 
ATOM   978  C CA  . LYS    A  1  126 ? 18.861  -17.313 -34.125 1.00 79.95 126 A  1 
ATOM   979  C C   . LYS    A  1  126 ? 17.462  -17.894 -34.306 1.00 79.97 126 A  1 
ATOM   980  O O   . LYS    A  1  126 ? 16.814  -17.568 -35.291 1.00 73.32 126 A  1 
ATOM   981  C CB  . LYS    A  1  126 ? 19.872  -18.232 -34.811 1.00 75.97 126 A  1 
ATOM   982  C CG  . LYS    A  1  126 ? 21.250  -17.575 -34.933 1.00 69.04 126 A  1 
ATOM   983  C CD  . LYS    A  1  126 ? 22.183  -18.499 -35.709 1.00 59.42 126 A  1 
ATOM   984  C CE  . LYS    A  1  126 ? 23.559  -17.853 -35.831 1.00 51.78 126 A  1 
ATOM   985  N NZ  . LYS    A  1  126 ? 24.500  -18.723 -36.565 1.00 43.51 126 A  1 
ATOM   986  N N   . GLY    A  1  127 ? 17.042  -18.748 -33.406 1.00 79.94 127 A  1 
ATOM   987  C CA  . GLY    A  1  127 ? 15.698  -19.314 -33.449 1.00 78.37 127 A  1 
ATOM   988  C C   . GLY    A  1  127 ? 14.642  -18.239 -33.226 1.00 79.10 127 A  1 
ATOM   989  O O   . GLY    A  1  127 ? 13.672  -18.162 -33.980 1.00 73.99 127 A  1 
ATOM   990  N N   . TYR    A  1  128 ? 14.883  -17.366 -32.282 1.00 78.65 128 A  1 
ATOM   991  C CA  . TYR    A  1  128 ? 13.981  -16.249 -32.020 1.00 78.16 128 A  1 
ATOM   992  C C   . TYR    A  1  128 ? 13.955  -15.240 -33.178 1.00 77.67 128 A  1 
ATOM   993  O O   . TYR    A  1  128 ? 12.887  -14.772 -33.575 1.00 73.42 128 A  1 
ATOM   994  C CB  . TYR    A  1  128 ? 14.393  -15.578 -30.708 1.00 74.78 128 A  1 
ATOM   995  C CG  . TYR    A  1  128 ? 13.374  -14.565 -30.248 1.00 72.32 128 A  1 
ATOM   996  C CD1 . TYR    A  1  128 ? 13.473  -13.217 -30.638 1.00 66.97 128 A  1 
ATOM   997  C CD2 . TYR    A  1  128 ? 12.270  -14.984 -29.476 1.00 66.70 128 A  1 
ATOM   998  C CE1 . TYR    A  1  128 ? 12.479  -12.300 -30.279 1.00 63.98 128 A  1 
ATOM   999  C CE2 . TYR    A  1  128 ? 11.270  -14.075 -29.110 1.00 62.80 128 A  1 
ATOM   1000 C CZ  . TYR    A  1  128 ? 11.374  -12.734 -29.520 1.00 64.24 128 A  1 
ATOM   1001 O OH  . TYR    A  1  128 ? 10.380  -11.848 -29.198 1.00 62.56 128 A  1 
ATOM   1002 N N   . LEU    A  1  129 ? 15.105  -14.937 -33.739 1.00 79.89 129 A  1 
ATOM   1003 C CA  . LEU    A  1  129 ? 15.216  -14.020 -34.879 1.00 78.85 129 A  1 
ATOM   1004 C C   . LEU    A  1  129 ? 14.541  -14.538 -36.153 1.00 78.67 129 A  1 
ATOM   1005 O O   . LEU    A  1  129 ? 14.148  -13.726 -36.988 1.00 75.18 129 A  1 
ATOM   1006 C CB  . LEU    A  1  129 ? 16.700  -13.760 -35.166 1.00 75.02 129 A  1 
ATOM   1007 C CG  . LEU    A  1  129 ? 17.378  -12.799 -34.181 1.00 68.38 129 A  1 
ATOM   1008 C CD1 . LEU    A  1  129 ? 18.880  -12.816 -34.441 1.00 62.67 129 A  1 
ATOM   1009 C CD2 . LEU    A  1  129 ? 16.883  -11.366 -34.364 1.00 63.17 129 A  1 
ATOM   1010 N N   . ALA    A  1  130 ? 14.426  -15.830 -36.299 1.00 78.40 130 A  1 
ATOM   1011 C CA  . ALA    A  1  130 ? 13.739  -16.403 -37.451 1.00 77.16 130 A  1 
ATOM   1012 C C   . ALA    A  1  130 ? 12.241  -16.057 -37.456 1.00 77.02 130 A  1 
ATOM   1013 O O   . ALA    A  1  130 ? 11.676  -15.790 -38.516 1.00 72.16 130 A  1 
ATOM   1014 C CB  . ALA    A  1  130 ? 13.976  -17.915 -37.455 1.00 74.70 130 A  1 
ATOM   1015 N N   . ASP    A  1  131 ? 11.644  -15.993 -36.279 1.00 80.80 131 A  1 
ATOM   1016 C CA  . ASP    A  1  131 ? 10.214  -15.718 -36.124 1.00 78.87 131 A  1 
ATOM   1017 C C   . ASP    A  1  131 ? 9.907   -14.240 -35.817 1.00 77.83 131 A  1 
ATOM   1018 O O   . ASP    A  1  131 ? 8.764   -13.795 -35.948 1.00 72.15 131 A  1 
ATOM   1019 C CB  . ASP    A  1  131 ? 9.656   -16.635 -35.026 1.00 75.12 131 A  1 
ATOM   1020 C CG  . ASP    A  1  131 ? 9.732   -18.128 -35.375 1.00 68.84 131 A  1 
ATOM   1021 O OD1 . ASP    A  1  131 ? 9.732   -18.464 -36.578 1.00 61.92 131 A  1 
ATOM   1022 O OD2 . ASP    A  1  131 ? 9.752   -18.932 -34.416 1.00 62.13 131 A  1 
ATOM   1023 N N   . HIS    A  1  132 ? 10.904  -13.471 -35.419 1.00 79.33 132 A  1 
ATOM   1024 C CA  . HIS    A  1  132 ? 10.718  -12.093 -34.966 1.00 78.24 132 A  1 
ATOM   1025 C C   . HIS    A  1  132 ? 11.700  -11.131 -35.639 1.00 78.10 132 A  1 
ATOM   1026 O O   . HIS    A  1  132 ? 12.901  -11.145 -35.377 1.00 73.03 132 A  1 
ATOM   1027 C CB  . HIS    A  1  132 ? 10.852  -12.021 -33.442 1.00 74.55 132 A  1 
ATOM   1028 C CG  . HIS    A  1  132 ? 9.902   -12.907 -32.694 1.00 71.29 132 A  1 
ATOM   1029 N ND1 . HIS    A  1  132 ? 10.039  -14.254 -32.494 1.00 61.24 132 A  1 
ATOM   1030 C CD2 . HIS    A  1  132 ? 8.724   -12.544 -32.092 1.00 62.08 132 A  1 
ATOM   1031 C CE1 . HIS    A  1  132 ? 8.980   -14.696 -31.801 1.00 61.02 132 A  1 
ATOM   1032 N NE2 . HIS    A  1  132 ? 8.160   -13.678 -31.529 1.00 59.69 132 A  1 
ATOM   1033 N N   . THR    A  1  133 ? 11.162  -10.236 -36.430 1.00 80.62 133 A  1 
ATOM   1034 C CA  . THR    A  1  133 ? 11.966  -9.267  -37.197 1.00 78.33 133 A  1 
ATOM   1035 C C   . THR    A  1  133 ? 12.159  -7.920  -36.497 1.00 78.75 133 A  1 
ATOM   1036 O O   . THR    A  1  133 ? 13.067  -7.164  -36.839 1.00 72.41 133 A  1 
ATOM   1037 C CB  . THR    A  1  133 ? 11.339  -9.042  -38.574 1.00 73.46 133 A  1 
ATOM   1038 O OG1 . THR    A  1  133 ? 9.985   -8.668  -38.432 1.00 64.81 133 A  1 
ATOM   1039 C CG2 . THR    A  1  133 ? 11.379  -10.308 -39.433 1.00 61.93 133 A  1 
ATOM   1040 N N   . ASN    A  1  134 ? 11.315  -7.602  -35.530 1.00 82.66 134 A  1 
ATOM   1041 C CA  . ASN    A  1  134 ? 11.333  -6.302  -34.853 1.00 82.87 134 A  1 
ATOM   1042 C C   . ASN    A  1  134 ? 12.282  -6.283  -33.648 1.00 84.80 134 A  1 
ATOM   1043 O O   . ASN    A  1  134 ? 11.848  -6.152  -32.507 1.00 80.55 134 A  1 
ATOM   1044 C CB  . ASN    A  1  134 ? 9.900   -5.891  -34.488 1.00 77.54 134 A  1 
ATOM   1045 C CG  . ASN    A  1  134 ? 9.120   -5.364  -35.674 1.00 70.82 134 A  1 
ATOM   1046 O OD1 . ASN    A  1  134 ? 9.640   -4.738  -36.578 1.00 61.92 134 A  1 
ATOM   1047 N ND2 . ASN    A  1  134 ? 7.820   -5.563  -35.675 1.00 62.86 134 A  1 
ATOM   1048 N N   . VAL    A  1  135 ? 13.554  -6.386  -33.927 1.00 87.22 135 A  1 
ATOM   1049 C CA  . VAL    A  1  135 ? 14.602  -6.281  -32.908 1.00 87.85 135 A  1 
ATOM   1050 C C   . VAL    A  1  135 ? 15.355  -4.958  -33.025 1.00 88.63 135 A  1 
ATOM   1051 O O   . VAL    A  1  135 ? 15.394  -4.335  -34.089 1.00 85.72 135 A  1 
ATOM   1052 C CB  . VAL    A  1  135 ? 15.556  -7.484  -32.946 1.00 85.47 135 A  1 
ATOM   1053 C CG1 . VAL    A  1  135 ? 14.792  -8.782  -32.669 1.00 74.98 135 A  1 
ATOM   1054 C CG2 . VAL    A  1  135 ? 16.304  -7.611  -34.275 1.00 75.69 135 A  1 
ATOM   1055 N N   . ILE    A  1  136 ? 15.942  -4.546  -31.930 1.00 89.99 136 A  1 
ATOM   1056 C CA  . ILE    A  1  136 ? 16.736  -3.322  -31.858 1.00 90.77 136 A  1 
ATOM   1057 C C   . ILE    A  1  136 ? 18.217  -3.682  -31.928 1.00 90.88 136 A  1 
ATOM   1058 O O   . ILE    A  1  136 ? 18.720  -4.476  -31.135 1.00 88.47 136 A  1 
ATOM   1059 C CB  . ILE    A  1  136 ? 16.397  -2.531  -30.584 1.00 89.83 136 A  1 
ATOM   1060 C CG1 . ILE    A  1  136 ? 14.886  -2.241  -30.446 1.00 84.23 136 A  1 
ATOM   1061 C CG2 . ILE    A  1  136 ? 17.198  -1.223  -30.520 1.00 82.22 136 A  1 
ATOM   1062 C CD1 . ILE    A  1  136 ? 14.258  -1.475  -31.611 1.00 75.94 136 A  1 
ATOM   1063 N N   . THR    A  1  137 ? 18.902  -3.075  -32.869 1.00 90.27 137 A  1 
ATOM   1064 C CA  . THR    A  1  137 ? 20.347  -3.260  -33.022 1.00 89.83 137 A  1 
ATOM   1065 C C   . THR    A  1  137 ? 21.118  -2.436  -31.994 1.00 90.49 137 A  1 
ATOM   1066 O O   . THR    A  1  137 ? 20.629  -1.415  -31.505 1.00 88.02 137 A  1 
ATOM   1067 C CB  . THR    A  1  137 ? 20.801  -2.895  -34.437 1.00 87.61 137 A  1 
ATOM   1068 O OG1 . THR    A  1  137 ? 20.557  -1.539  -34.692 1.00 77.88 137 A  1 
ATOM   1069 C CG2 . THR    A  1  137 ? 20.092  -3.712  -35.516 1.00 74.83 137 A  1 
ATOM   1070 N N   . SER    A  1  138 ? 22.343  -2.820  -31.730 1.00 90.82 138 A  1 
ATOM   1071 C CA  . SER    A  1  138 ? 23.221  -2.038  -30.850 1.00 91.05 138 A  1 
ATOM   1072 C C   . SER    A  1  138 ? 23.435  -0.613  -31.365 1.00 91.62 138 A  1 
ATOM   1073 O O   . SER    A  1  138 ? 23.497  0.322   -30.575 1.00 88.74 138 A  1 
ATOM   1074 C CB  . SER    A  1  138 ? 24.574  -2.731  -30.695 1.00 89.37 138 A  1 
ATOM   1075 O OG  . SER    A  1  138 ? 24.396  -4.070  -30.278 1.00 79.76 138 A  1 
ATOM   1076 N N   . THR    A  1  139 ? 23.471  -0.446  -32.675 1.00 92.88 139 A  1 
ATOM   1077 C CA  . THR    A  1  139 ? 23.585  0.879   -33.299 1.00 92.78 139 A  1 
ATOM   1078 C C   . THR    A  1  139 ? 22.373  1.758   -32.993 1.00 92.96 139 A  1 
ATOM   1079 O O   . THR    A  1  139 ? 22.540  2.911   -32.614 1.00 90.29 139 A  1 
ATOM   1080 C CB  . THR    A  1  139 ? 23.752  0.758   -34.818 1.00 91.35 139 A  1 
ATOM   1081 O OG1 . THR    A  1  139 ? 24.702  -0.238  -35.126 1.00 79.47 139 A  1 
ATOM   1082 C CG2 . THR    A  1  139 ? 24.245  2.057   -35.447 1.00 74.23 139 A  1 
ATOM   1083 N N   . GLN    A  1  140 ? 21.181  1.201   -33.090 1.00 92.46 140 A  1 
ATOM   1084 C CA  . GLN    A  1  140 ? 19.957  1.928   -32.740 1.00 92.28 140 A  1 
ATOM   1085 C C   . GLN    A  1  140 ? 19.910  2.280   -31.251 1.00 92.88 140 A  1 
ATOM   1086 O O   . GLN    A  1  140 ? 19.444  3.358   -30.889 1.00 90.90 140 A  1 
ATOM   1087 C CB  . GLN    A  1  140 ? 18.738  1.072   -33.098 1.00 90.81 140 A  1 
ATOM   1088 C CG  . GLN    A  1  140 ? 18.475  1.013   -34.606 1.00 86.97 140 A  1 
ATOM   1089 C CD  . GLN    A  1  140 ? 17.416  -0.031  -34.948 1.00 84.57 140 A  1 
ATOM   1090 O OE1 . GLN    A  1  140 ? 17.450  -1.157  -34.487 1.00 75.63 140 A  1 
ATOM   1091 N NE2 . GLN    A  1  140 ? 16.455  0.297   -35.779 1.00 73.89 140 A  1 
ATOM   1092 N N   . GLY    A  1  141 ? 20.404  1.394   -30.413 1.00 91.67 141 A  1 
ATOM   1093 C CA  . GLY    A  1  141 ? 20.518  1.676   -28.986 1.00 91.74 141 A  1 
ATOM   1094 C C   . GLY    A  1  141 ? 21.469  2.835   -28.697 1.00 92.75 141 A  1 
ATOM   1095 O O   . GLY    A  1  141 ? 21.152  3.721   -27.901 1.00 90.70 141 A  1 
ATOM   1096 N N   . GLU    A  1  142 ? 22.574  2.873   -29.390 1.00 93.56 142 A  1 
ATOM   1097 C CA  . GLU    A  1  142 ? 23.568  3.937   -29.239 1.00 93.73 142 A  1 
ATOM   1098 C C   . GLU    A  1  142 ? 23.090  5.285   -29.815 1.00 94.14 142 A  1 
ATOM   1099 O O   . GLU    A  1  142 ? 23.366  6.341   -29.242 1.00 92.08 142 A  1 
ATOM   1100 C CB  . GLU    A  1  142 ? 24.876  3.453   -29.881 1.00 92.26 142 A  1 
ATOM   1101 C CG  . GLU    A  1  142 ? 26.081  4.357   -29.636 1.00 81.42 142 A  1 
ATOM   1102 C CD  . GLU    A  1  142 ? 26.455  4.575   -28.165 1.00 80.78 142 A  1 
ATOM   1103 O OE1 . GLU    A  1  142 ? 27.310  5.445   -27.919 1.00 74.01 142 A  1 
ATOM   1104 O OE2 . GLU    A  1  142 ? 25.882  3.961   -27.253 1.00 74.01 142 A  1 
ATOM   1105 N N   . GLU    A  1  143 ? 22.327  5.251   -30.894 1.00 94.24 143 A  1 
ATOM   1106 C CA  . GLU    A  1  143 ? 21.652  6.451   -31.405 1.00 94.07 143 A  1 
ATOM   1107 C C   . GLU    A  1  143 ? 20.645  6.994   -30.392 1.00 94.32 143 A  1 
ATOM   1108 O O   . GLU    A  1  143 ? 20.663  8.188   -30.089 1.00 91.89 143 A  1 
ATOM   1109 C CB  . GLU    A  1  143 ? 20.939  6.147   -32.726 1.00 92.81 143 A  1 
ATOM   1110 C CG  . GLU    A  1  143 ? 21.918  6.113   -33.898 1.00 80.50 143 A  1 
ATOM   1111 C CD  . GLU    A  1  143 ? 21.238  5.816   -35.238 1.00 72.91 143 A  1 
ATOM   1112 O OE1 . GLU    A  1  143 ? 21.903  6.063   -36.268 1.00 64.34 143 A  1 
ATOM   1113 O OE2 . GLU    A  1  143 ? 20.079  5.345   -35.239 1.00 64.82 143 A  1 
ATOM   1114 N N   . LEU    A  1  144 ? 19.848  6.111   -29.817 1.00 93.21 144 A  1 
ATOM   1115 C CA  . LEU    A  1  144 ? 18.896  6.508   -28.787 1.00 93.35 144 A  1 
ATOM   1116 C C   . LEU    A  1  144 ? 19.609  7.101   -27.570 1.00 93.53 144 A  1 
ATOM   1117 O O   . LEU    A  1  144 ? 19.182  8.137   -27.063 1.00 91.42 144 A  1 
ATOM   1118 C CB  . LEU    A  1  144 ? 18.023  5.304   -28.413 1.00 92.23 144 A  1 
ATOM   1119 C CG  . LEU    A  1  144 ? 16.923  5.638   -27.393 1.00 89.57 144 A  1 
ATOM   1120 C CD1 . LEU    A  1  144 ? 15.925  6.667   -27.912 1.00 80.74 144 A  1 
ATOM   1121 C CD2 . LEU    A  1  144 ? 16.154  4.371   -27.041 1.00 81.61 144 A  1 
ATOM   1122 N N   . ARG    A  1  145 ? 20.717  6.499   -27.144 1.00 93.28 145 A  1 
ATOM   1123 C CA  . ARG    A  1  145 ? 21.530  7.031   -26.049 1.00 93.55 145 A  1 
ATOM   1124 C C   . ARG    A  1  145 ? 21.946  8.474   -26.306 1.00 93.16 145 A  1 
ATOM   1125 O O   . ARG    A  1  145 ? 21.811  9.317   -25.425 1.00 91.14 145 A  1 
ATOM   1126 C CB  . ARG    A  1  145 ? 22.778  6.165   -25.846 1.00 92.78 145 A  1 
ATOM   1127 C CG  . ARG    A  1  145 ? 23.581  6.628   -24.626 1.00 88.63 145 A  1 
ATOM   1128 C CD  . ARG    A  1  145 ? 24.949  5.978   -24.541 1.00 87.39 145 A  1 
ATOM   1129 N NE  . ARG    A  1  145 ? 25.853  6.405   -25.610 1.00 83.22 145 A  1 
ATOM   1130 C CZ  . ARG    A  1  145 ? 26.544  7.526   -25.699 1.00 81.38 145 A  1 
ATOM   1131 N NH1 . ARG    A  1  145 ? 26.486  8.446   -24.777 1.00 70.46 145 A  1 
ATOM   1132 N NH2 . ARG    A  1  145 ? 27.321  7.725   -26.722 1.00 74.59 145 A  1 
ATOM   1133 N N   . LYS    A  1  146 ? 22.435  8.744   -27.502 1.00 93.64 146 A  1 
ATOM   1134 C CA  . LYS    A  1  146 ? 22.834  10.105  -27.889 1.00 93.32 146 A  1 
ATOM   1135 C C   . LYS    A  1  146 ? 21.639  11.050  -27.924 1.00 92.45 146 A  1 
ATOM   1136 O O   . LYS    A  1  146 ? 21.749  12.174  -27.444 1.00 90.08 146 A  1 
ATOM   1137 C CB  . LYS    A  1  146 ? 23.524  10.080  -29.254 1.00 92.66 146 A  1 
ATOM   1138 C CG  . LYS    A  1  146 ? 24.924  9.464   -29.185 1.00 84.80 146 A  1 
ATOM   1139 C CD  . LYS    A  1  146 ? 25.520  9.388   -30.587 1.00 82.11 146 A  1 
ATOM   1140 C CE  . LYS    A  1  146 ? 26.898  8.732   -30.544 1.00 72.72 146 A  1 
ATOM   1141 N NZ  . LYS    A  1  146 ? 27.434  8.511   -31.910 1.00 64.33 146 A  1 
ATOM   1142 N N   . GLN    A  1  147 ? 20.535  10.578  -28.441 1.00 93.79 147 A  1 
ATOM   1143 C CA  . GLN    A  1  147 ? 19.339  11.393  -28.607 1.00 93.19 147 A  1 
ATOM   1144 C C   . GLN    A  1  147 ? 18.729  11.830  -27.265 1.00 92.89 147 A  1 
ATOM   1145 O O   . GLN    A  1  147 ? 18.304  12.977  -27.119 1.00 89.65 147 A  1 
ATOM   1146 C CB  . GLN    A  1  147 ? 18.349  10.590  -29.455 1.00 91.72 147 A  1 
ATOM   1147 C CG  . GLN    A  1  147 ? 17.285  11.485  -30.095 1.00 82.56 147 A  1 
ATOM   1148 C CD  . GLN    A  1  147 ? 16.327  10.698  -30.990 1.00 80.04 147 A  1 
ATOM   1149 O OE1 . GLN    A  1  147 ? 16.228  9.490   -30.930 1.00 71.53 147 A  1 
ATOM   1150 N NE2 . GLN    A  1  147 ? 15.579  11.355  -31.840 1.00 69.66 147 A  1 
ATOM   1151 N N   . ILE    A  1  148 ? 18.742  10.949  -26.294 1.00 92.07 148 A  1 
ATOM   1152 C CA  . ILE    A  1  148 ? 18.208  11.259  -24.956 1.00 91.24 148 A  1 
ATOM   1153 C C   . ILE    A  1  148 ? 19.247  11.888  -24.018 1.00 90.90 148 A  1 
ATOM   1154 O O   . ILE    A  1  148 ? 18.889  12.378  -22.945 1.00 87.66 148 A  1 
ATOM   1155 C CB  . ILE    A  1  148 ? 17.528  10.027  -24.326 1.00 89.93 148 A  1 
ATOM   1156 C CG1 . ILE    A  1  148 ? 18.549  8.958   -23.896 1.00 81.73 148 A  1 
ATOM   1157 C CG2 . ILE    A  1  148 ? 16.443  9.475   -25.264 1.00 79.71 148 A  1 
ATOM   1158 C CD1 . ILE    A  1  148 ? 17.952  7.766   -23.158 1.00 78.92 148 A  1 
ATOM   1159 N N   . GLY    A  1  149 ? 20.509  11.868  -24.408 1.00 90.89 149 A  1 
ATOM   1160 C CA  . GLY    A  1  149 ? 21.601  12.345  -23.563 1.00 90.31 149 A  1 
ATOM   1161 C C   . GLY    A  1  149 ? 21.918  11.422  -22.382 1.00 90.80 149 A  1 
ATOM   1162 O O   . GLY    A  1  149 ? 22.326  11.903  -21.328 1.00 87.36 149 A  1 
ATOM   1163 N N   . ALA    A  1  150 ? 21.711  10.125  -22.544 1.00 90.74 150 A  1 
ATOM   1164 C CA  . ALA    A  1  150 ? 22.068  9.158   -21.511 1.00 91.54 150 A  1 
ATOM   1165 C C   . ALA    A  1  150 ? 23.595  9.066   -21.345 1.00 91.75 150 A  1 
ATOM   1166 O O   . ALA    A  1  150 ? 24.345  9.152   -22.319 1.00 89.31 150 A  1 
ATOM   1167 C CB  . ALA    A  1  150 ? 21.443  7.799   -21.838 1.00 90.71 150 A  1 
ATOM   1168 N N   . ALA    A  1  151 ? 24.030  8.866   -20.117 1.00 91.82 151 A  1 
ATOM   1169 C CA  . ALA    A  1  151 ? 25.453  8.792   -19.800 1.00 91.71 151 A  1 
ATOM   1170 C C   . ALA    A  1  151 ? 26.127  7.524   -20.351 1.00 92.03 151 A  1 
ATOM   1171 O O   . ALA    A  1  151 ? 27.306  7.557   -20.692 1.00 89.02 151 A  1 
ATOM   1172 C CB  . ALA    A  1  151 ? 25.604  8.888   -18.282 1.00 90.22 151 A  1 
ATOM   1173 N N   . ALA    A  1  152 ? 25.373  6.443   -20.448 1.00 92.56 152 A  1 
ATOM   1174 C CA  . ALA    A  1  152 ? 25.850  5.176   -20.984 1.00 92.59 152 A  1 
ATOM   1175 C C   . ALA    A  1  152 ? 24.711  4.385   -21.634 1.00 92.95 152 A  1 
ATOM   1176 O O   . ALA    A  1  152 ? 23.541  4.599   -21.321 1.00 90.66 152 A  1 
ATOM   1177 C CB  . ALA    A  1  152 ? 26.506  4.384   -19.853 1.00 91.17 152 A  1 
ATOM   1178 N N   . TYR    A  1  153 ? 25.077  3.472   -22.515 1.00 92.58 153 A  1 
ATOM   1179 C CA  . TYR    A  1  153 ? 24.191  2.453   -23.074 1.00 93.16 153 A  1 
ATOM   1180 C C   . TYR    A  1  153 ? 24.813  1.081   -22.859 1.00 93.18 153 A  1 
ATOM   1181 O O   . TYR    A  1  153 ? 25.990  0.891   -23.159 1.00 91.13 153 A  1 
ATOM   1182 C CB  . TYR    A  1  153 ? 23.952  2.717   -24.561 1.00 92.34 153 A  1 
ATOM   1183 C CG  . TYR    A  1  153 ? 23.181  1.615   -25.256 1.00 91.87 153 A  1 
ATOM   1184 C CD1 . TYR    A  1  153 ? 23.779  0.853   -26.280 1.00 86.34 153 A  1 
ATOM   1185 C CD2 . TYR    A  1  153 ? 21.868  1.320   -24.859 1.00 86.90 153 A  1 
ATOM   1186 C CE1 . TYR    A  1  153 ? 23.064  -0.180  -26.904 1.00 86.09 153 A  1 
ATOM   1187 C CE2 . TYR    A  1  153 ? 21.146  0.282   -25.468 1.00 85.31 153 A  1 
ATOM   1188 C CZ  . TYR    A  1  153 ? 21.748  -0.466  -26.497 1.00 89.16 153 A  1 
ATOM   1189 O OH  . TYR    A  1  153 ? 21.038  -1.477  -27.092 1.00 88.09 153 A  1 
ATOM   1190 N N   . ILE    A  1  154 ? 24.031  0.160   -22.348 1.00 93.88 154 A  1 
ATOM   1191 C CA  . ILE    A  1  154 ? 24.476  -1.206  -22.067 1.00 94.00 154 A  1 
ATOM   1192 C C   . ILE    A  1  154 ? 23.384  -2.173  -22.504 1.00 93.90 154 A  1 
ATOM   1193 O O   . ILE    A  1  154 ? 22.205  -1.944  -22.248 1.00 91.02 154 A  1 
ATOM   1194 C CB  . ILE    A  1  154 ? 24.816  -1.382  -20.569 1.00 92.43 154 A  1 
ATOM   1195 C CG1 . ILE    A  1  154 ? 25.916  -0.382  -20.151 1.00 78.67 154 A  1 
ATOM   1196 C CG2 . ILE    A  1  154 ? 25.264  -2.821  -20.264 1.00 78.10 154 A  1 
ATOM   1197 C CD1 . ILE    A  1  154 ? 26.227  -0.392  -18.662 1.00 74.94 154 A  1 
ATOM   1198 N N   . GLU    A  1  155 ? 23.779  -3.259  -23.119 1.00 93.02 155 A  1 
ATOM   1199 C CA  . GLU    A  1  155 ? 22.878  -4.360  -23.448 1.00 92.96 155 A  1 
ATOM   1200 C C   . GLU    A  1  155 ? 23.099  -5.504  -22.461 1.00 92.84 155 A  1 
ATOM   1201 O O   . GLU    A  1  155 ? 24.244  -5.870  -22.180 1.00 90.30 155 A  1 
ATOM   1202 C CB  . GLU    A  1  155 ? 23.112  -4.815  -24.888 1.00 91.24 155 A  1 
ATOM   1203 C CG  . GLU    A  1  155 ? 22.836  -3.697  -25.898 1.00 88.06 155 A  1 
ATOM   1204 C CD  . GLU    A  1  155 ? 22.996  -4.149  -27.345 1.00 89.00 155 A  1 
ATOM   1205 O OE1 . GLU    A  1  155 ? 22.422  -3.497  -28.245 1.00 82.83 155 A  1 
ATOM   1206 O OE2 . GLU    A  1  155 ? 23.657  -5.173  -27.616 1.00 84.02 155 A  1 
ATOM   1207 N N   . CYS    A  1  156 ? 22.028  -6.059  -21.954 1.00 92.17 156 A  1 
ATOM   1208 C CA  . CYS    A  1  156 ? 22.122  -7.127  -20.967 1.00 91.71 156 A  1 
ATOM   1209 C C   . CYS    A  1  156 ? 21.048  -8.205  -21.145 1.00 91.55 156 A  1 
ATOM   1210 O O   . CYS    A  1  156 ? 19.991  -7.984  -21.745 1.00 89.18 156 A  1 
ATOM   1211 C CB  . CYS    A  1  156 ? 22.110  -6.523  -19.556 1.00 89.87 156 A  1 
ATOM   1212 S SG  . CYS    A  1  156 ? 20.459  -5.936  -19.071 1.00 85.09 156 A  1 
ATOM   1213 N N   . SER    A  1  157 ? 21.318  -9.358  -20.568 1.00 91.57 157 A  1 
ATOM   1214 C CA  . SER    A  1  157 ? 20.340  -10.427 -20.406 1.00 91.26 157 A  1 
ATOM   1215 C C   . SER    A  1  157 ? 20.290  -10.858 -18.945 1.00 90.90 157 A  1 
ATOM   1216 O O   . SER    A  1  157 ? 21.300  -11.276 -18.386 1.00 87.94 157 A  1 
ATOM   1217 C CB  . SER    A  1  157 ? 20.687  -11.614 -21.298 1.00 90.01 157 A  1 
ATOM   1218 O OG  . SER    A  1  157 ? 19.828  -12.695 -20.975 1.00 81.55 157 A  1 
ATOM   1219 N N   . SER    A  1  158 ? 19.121  -10.799 -18.348 1.00 90.05 158 A  1 
ATOM   1220 C CA  . SER    A  1  158 ? 18.940  -11.336 -16.998 1.00 89.06 158 A  1 
ATOM   1221 C C   . SER    A  1  158 ? 19.026  -12.861 -16.985 1.00 88.55 158 A  1 
ATOM   1222 O O   . SER    A  1  158 ? 19.534  -13.432 -16.029 1.00 85.45 158 A  1 
ATOM   1223 C CB  . SER    A  1  158 ? 17.599  -10.894 -16.420 1.00 87.66 158 A  1 
ATOM   1224 O OG  . SER    A  1  158 ? 17.539  -9.487  -16.374 1.00 78.09 158 A  1 
ATOM   1225 N N   . LYS    A  1  159 ? 18.583  -13.496 -18.050 1.00 88.13 159 A  1 
ATOM   1226 C CA  . LYS    A  1  159 ? 18.583  -14.957 -18.148 1.00 87.63 159 A  1 
ATOM   1227 C C   . LYS    A  1  159 ? 19.998  -15.542 -18.164 1.00 87.36 159 A  1 
ATOM   1228 O O   . LYS    A  1  159 ? 20.254  -16.538 -17.496 1.00 83.84 159 A  1 
ATOM   1229 C CB  . LYS    A  1  159 ? 17.797  -15.353 -19.400 1.00 85.86 159 A  1 
ATOM   1230 C CG  . LYS    A  1  159 ? 17.545  -16.863 -19.463 1.00 81.71 159 A  1 
ATOM   1231 C CD  . LYS    A  1  159 ? 16.734  -17.185 -20.714 1.00 76.59 159 A  1 
ATOM   1232 C CE  . LYS    A  1  159 ? 16.482  -18.690 -20.827 1.00 70.42 159 A  1 
ATOM   1233 N NZ  . LYS    A  1  159 ? 15.791  -19.007 -22.095 1.00 63.41 159 A  1 
ATOM   1234 N N   . THR    A  1  160 ? 20.888  -14.916 -18.900 1.00 89.16 160 A  1 
ATOM   1235 C CA  . THR    A  1  160 ? 22.295  -15.350 -18.982 1.00 88.30 160 A  1 
ATOM   1236 C C   . THR    A  1  160 ? 23.204  -14.611 -17.997 1.00 88.22 160 A  1 
ATOM   1237 O O   . THR    A  1  160 ? 24.388  -14.918 -17.917 1.00 83.72 160 A  1 
ATOM   1238 C CB  . THR    A  1  160 ? 22.840  -15.188 -20.406 1.00 86.68 160 A  1 
ATOM   1239 O OG1 . THR    A  1  160 ? 22.875  -13.831 -20.763 1.00 76.74 160 A  1 
ATOM   1240 C CG2 . THR    A  1  160 ? 22.001  -15.928 -21.445 1.00 74.05 160 A  1 
ATOM   1241 N N   . GLN    A  1  161 ? 22.667  -13.640 -17.294 1.00 89.94 161 A  1 
ATOM   1242 C CA  . GLN    A  1  161 ? 23.394  -12.679 -16.450 1.00 89.86 161 A  1 
ATOM   1243 C C   . GLN    A  1  161 ? 24.410  -11.802 -17.201 1.00 90.68 161 A  1 
ATOM   1244 O O   . GLN    A  1  161 ? 25.197  -11.084 -16.581 1.00 87.12 161 A  1 
ATOM   1245 C CB  . GLN    A  1  161 ? 24.009  -13.361 -15.223 1.00 87.34 161 A  1 
ATOM   1246 C CG  . GLN    A  1  161 ? 22.975  -14.127 -14.391 1.00 79.87 161 A  1 
ATOM   1247 C CD  . GLN    A  1  161 ? 23.523  -14.549 -13.032 1.00 73.64 161 A  1 
ATOM   1248 O OE1 . GLN    A  1  161 ? 24.638  -14.251 -12.650 1.00 65.96 161 A  1 
ATOM   1249 N NE2 . GLN    A  1  161 ? 22.733  -15.240 -12.242 1.00 63.25 161 A  1 
ATOM   1250 N N   . GLN    A  1  162 ? 24.378  -11.833 -18.511 1.00 90.28 162 A  1 
ATOM   1251 C CA  . GLN    A  1  162 ? 25.324  -11.071 -19.311 1.00 90.44 162 A  1 
ATOM   1252 C C   . GLN    A  1  162 ? 25.108  -9.569  -19.106 1.00 90.89 162 A  1 
ATOM   1253 O O   . GLN    A  1  162 ? 24.006  -9.059  -19.263 1.00 87.85 162 A  1 
ATOM   1254 C CB  . GLN    A  1  162 ? 25.195  -11.482 -20.778 1.00 88.80 162 A  1 
ATOM   1255 C CG  . GLN    A  1  162 ? 26.322  -10.883 -21.631 1.00 79.98 162 A  1 
ATOM   1256 C CD  . GLN    A  1  162 ? 26.261  -11.340 -23.091 1.00 75.68 162 A  1 
ATOM   1257 O OE1 . GLN    A  1  162 ? 25.395  -12.091 -23.497 1.00 68.12 162 A  1 
ATOM   1258 N NE2 . GLN    A  1  162 ? 27.176  -10.902 -23.918 1.00 65.38 162 A  1 
ATOM   1259 N N   . ASN    A  1  163 ? 26.173  -8.890  -18.742 1.00 89.41 163 A  1 
ATOM   1260 C CA  . ASN    A  1  163 ? 26.221  -7.447  -18.490 1.00 90.33 163 A  1 
ATOM   1261 C C   . ASN    A  1  163 ? 25.292  -6.913  -17.381 1.00 90.74 163 A  1 
ATOM   1262 O O   . ASN    A  1  163 ? 25.288  -5.707  -17.152 1.00 86.55 163 A  1 
ATOM   1263 C CB  . ASN    A  1  163 ? 26.062  -6.678  -19.811 1.00 88.60 163 A  1 
ATOM   1264 C CG  . ASN    A  1  163 ? 27.221  -6.881  -20.764 1.00 87.92 163 A  1 
ATOM   1265 O OD1 . ASN    A  1  163 ? 28.328  -7.189  -20.367 1.00 77.93 163 A  1 
ATOM   1266 N ND2 . ASN    A  1  163 ? 26.980  -6.693  -22.045 1.00 78.25 163 A  1 
ATOM   1267 N N   . VAL    A  1  164 ? 24.583  -7.760  -16.671 1.00 90.40 164 A  1 
ATOM   1268 C CA  . VAL    A  1  164 ? 23.691  -7.284  -15.595 1.00 90.51 164 A  1 
ATOM   1269 C C   . VAL    A  1  164 ? 24.484  -6.539  -14.523 1.00 90.28 164 A  1 
ATOM   1270 O O   . VAL    A  1  164 ? 24.112  -5.437  -14.130 1.00 88.09 164 A  1 
ATOM   1271 C CB  . VAL    A  1  164 ? 22.887  -8.442  -14.986 1.00 89.53 164 A  1 
ATOM   1272 C CG1 . VAL    A  1  164 ? 22.080  -8.011  -13.762 1.00 80.07 164 A  1 
ATOM   1273 C CG2 . VAL    A  1  164 ? 21.899  -8.994  -16.014 1.00 80.46 164 A  1 
ATOM   1274 N N   . LYS    A  1  165 ? 25.599  -7.093  -14.123 1.00 90.64 165 A  1 
ATOM   1275 C CA  . LYS    A  1  165 ? 26.475  -6.433  -13.157 1.00 89.94 165 A  1 
ATOM   1276 C C   . LYS    A  1  165 ? 27.052  -5.125  -13.710 1.00 90.44 165 A  1 
ATOM   1277 O O   . LYS    A  1  165 ? 27.092  -4.126  -13.004 1.00 88.66 165 A  1 
ATOM   1278 C CB  . LYS    A  1  165 ? 27.563  -7.424  -12.723 1.00 87.94 165 A  1 
ATOM   1279 C CG  . LYS    A  1  165 ? 27.861  -7.279  -11.234 1.00 80.21 165 A  1 
ATOM   1280 C CD  . LYS    A  1  165 ? 28.869  -8.331  -10.785 1.00 74.41 165 A  1 
ATOM   1281 C CE  . LYS    A  1  165 ? 29.082  -8.208  -9.279  1.00 65.70 165 A  1 
ATOM   1282 N NZ  . LYS    A  1  165 ? 30.064  -9.191  -8.786  1.00 58.44 165 A  1 
ATOM   1283 N N   . ALA    A  1  166 ? 27.414  -5.122  -14.976 1.00 91.31 166 A  1 
ATOM   1284 C CA  . ALA    A  1  166 ? 27.956  -3.941  -15.645 1.00 91.71 166 A  1 
ATOM   1285 C C   . ALA    A  1  166 ? 26.962  -2.771  -15.687 1.00 92.22 166 A  1 
ATOM   1286 O O   . ALA    A  1  166 ? 27.389  -1.620  -15.637 1.00 89.57 166 A  1 
ATOM   1287 C CB  . ALA    A  1  166 ? 28.410  -4.340  -17.050 1.00 90.71 166 A  1 
ATOM   1288 N N   . VAL    A  1  167 ? 25.672  -3.052  -15.742 1.00 90.80 167 A  1 
ATOM   1289 C CA  . VAL    A  1  167 ? 24.637  -2.006  -15.687 1.00 90.95 167 A  1 
ATOM   1290 C C   . VAL    A  1  167 ? 24.750  -1.200  -14.397 1.00 90.86 167 A  1 
ATOM   1291 O O   . VAL    A  1  167 ? 24.838  0.028   -14.441 1.00 88.76 167 A  1 
ATOM   1292 C CB  . VAL    A  1  167 ? 23.225  -2.610  -15.813 1.00 90.23 167 A  1 
ATOM   1293 C CG1 . VAL    A  1  167 ? 22.119  -1.583  -15.557 1.00 80.67 167 A  1 
ATOM   1294 C CG2 . VAL    A  1  167 ? 22.998  -3.186  -17.215 1.00 81.97 167 A  1 
ATOM   1295 N N   . PHE    A  1  168 ? 24.780  -1.880  -13.278 1.00 90.95 168 A  1 
ATOM   1296 C CA  . PHE    A  1  168 ? 24.798  -1.217  -11.977 1.00 90.43 168 A  1 
ATOM   1297 C C   . PHE    A  1  168 ? 26.169  -0.646  -11.627 1.00 90.57 168 A  1 
ATOM   1298 O O   . PHE    A  1  168 ? 26.238  0.460   -11.093 1.00 87.33 168 A  1 
ATOM   1299 C CB  . PHE    A  1  168 ? 24.275  -2.179  -10.913 1.00 89.07 168 A  1 
ATOM   1300 C CG  . PHE    A  1  168 ? 22.834  -2.566  -11.143 1.00 88.41 168 A  1 
ATOM   1301 C CD1 . PHE    A  1  168 ? 21.800  -1.661  -10.842 1.00 81.66 168 A  1 
ATOM   1302 C CD2 . PHE    A  1  168 ? 22.517  -3.806  -11.720 1.00 81.74 168 A  1 
ATOM   1303 C CE1 . PHE    A  1  168 ? 20.467  -1.995  -11.121 1.00 80.44 168 A  1 
ATOM   1304 C CE2 . PHE    A  1  168 ? 21.183  -4.141  -12.004 1.00 78.87 168 A  1 
ATOM   1305 C CZ  . PHE    A  1  168 ? 20.157  -3.232  -11.706 1.00 83.05 168 A  1 
ATOM   1306 N N   . ASP    A  1  169 ? 27.226  -1.313  -12.008 1.00 90.38 169 A  1 
ATOM   1307 C CA  . ASP    A  1  169 ? 28.574  -0.763  -11.844 1.00 89.95 169 A  1 
ATOM   1308 C C   . ASP    A  1  169 ? 28.745  0.543   -12.637 1.00 90.56 169 A  1 
ATOM   1309 O O   . ASP    A  1  169 ? 29.290  1.526   -12.131 1.00 88.55 169 A  1 
ATOM   1310 C CB  . ASP    A  1  169 ? 29.621  -1.794  -12.287 1.00 88.04 169 A  1 
ATOM   1311 C CG  . ASP    A  1  169 ? 29.787  -2.984  -11.335 1.00 84.22 169 A  1 
ATOM   1312 O OD1 . ASP    A  1  169 ? 29.347  -2.900  -10.172 1.00 76.88 169 A  1 
ATOM   1313 O OD2 . ASP    A  1  169 ? 30.408  -3.980  -11.775 1.00 77.11 169 A  1 
ATOM   1314 N N   . THR    A  1  170 ? 28.217  0.579   -13.846 1.00 90.91 170 A  1 
ATOM   1315 C CA  . THR    A  1  170 ? 28.225  1.800   -14.661 1.00 91.29 170 A  1 
ATOM   1316 C C   . THR    A  1  170 ? 27.357  2.888   -14.040 1.00 91.56 170 A  1 
ATOM   1317 O O   . THR    A  1  170 ? 27.778  4.043   -13.987 1.00 89.35 170 A  1 
ATOM   1318 C CB  . THR    A  1  170 ? 27.769  1.515   -16.095 1.00 90.62 170 A  1 
ATOM   1319 O OG1 . THR    A  1  170 ? 28.598  0.531   -16.666 1.00 79.10 170 A  1 
ATOM   1320 C CG2 . THR    A  1  170 ? 27.865  2.745   -16.994 1.00 76.75 170 A  1 
ATOM   1321 N N   . ALA    A  1  171 ? 26.196  2.525   -13.545 1.00 91.25 171 A  1 
ATOM   1322 C CA  . ALA    A  1  171 ? 25.330  3.477   -12.860 1.00 91.03 171 A  1 
ATOM   1323 C C   . ALA    A  1  171 ? 26.037  4.115   -11.652 1.00 90.95 171 A  1 
ATOM   1324 O O   . ALA    A  1  171 ? 26.035  5.339   -11.510 1.00 88.78 171 A  1 
ATOM   1325 C CB  . ALA    A  1  171 ? 24.029  2.771   -12.466 1.00 90.37 171 A  1 
ATOM   1326 N N   . ILE    A  1  172 ? 26.703  3.314   -10.852 1.00 90.81 172 A  1 
ATOM   1327 C CA  . ILE    A  1  172 ? 27.479  3.814   -9.714  1.00 90.24 172 A  1 
ATOM   1328 C C   . ILE    A  1  172 ? 28.586  4.761   -10.186 1.00 89.77 172 A  1 
ATOM   1329 O O   . ILE    A  1  172 ? 28.705  5.869   -9.656  1.00 87.68 172 A  1 
ATOM   1330 C CB  . ILE    A  1  172 ? 28.041  2.638   -8.890  1.00 89.10 172 A  1 
ATOM   1331 C CG1 . ILE    A  1  172 ? 26.898  1.862   -8.199  1.00 82.42 172 A  1 
ATOM   1332 C CG2 . ILE    A  1  172 ? 29.028  3.146   -7.829  1.00 81.93 172 A  1 
ATOM   1333 C CD1 . ILE    A  1  172 ? 27.312  0.474   -7.711  1.00 78.01 172 A  1 
ATOM   1334 N N   . LYS    A  1  173 ? 29.331  4.382   -11.203 1.00 90.67 173 A  1 
ATOM   1335 C CA  . LYS    A  1  173 ? 30.413  5.222   -11.738 1.00 90.26 173 A  1 
ATOM   1336 C C   . LYS    A  1  173 ? 29.915  6.575   -12.232 1.00 90.09 173 A  1 
ATOM   1337 O O   . LYS    A  1  173 ? 30.549  7.589   -11.954 1.00 87.60 173 A  1 
ATOM   1338 C CB  . LYS    A  1  173 ? 31.148  4.491   -12.864 1.00 89.12 173 A  1 
ATOM   1339 C CG  . LYS    A  1  173 ? 32.016  3.357   -12.316 1.00 82.95 173 A  1 
ATOM   1340 C CD  . LYS    A  1  173 ? 32.778  2.656   -13.439 1.00 78.24 173 A  1 
ATOM   1341 C CE  . LYS    A  1  173 ? 33.422  1.401   -12.852 1.00 70.34 173 A  1 
ATOM   1342 N NZ  . LYS    A  1  173 ? 34.685  1.027   -13.525 1.00 63.07 173 A  1 
ATOM   1343 N N   . VAL    A  1  174 ? 28.786  6.590   -12.896 1.00 90.11 174 A  1 
ATOM   1344 C CA  . VAL    A  1  174 ? 28.180  7.845   -13.371 1.00 89.89 174 A  1 
ATOM   1345 C C   . VAL    A  1  174 ? 27.822  8.772   -12.201 1.00 89.39 174 A  1 
ATOM   1346 O O   . VAL    A  1  174 ? 28.018  9.981   -12.288 1.00 86.73 174 A  1 
ATOM   1347 C CB  . VAL    A  1  174 ? 26.954  7.546   -14.252 1.00 89.48 174 A  1 
ATOM   1348 C CG1 . VAL    A  1  174 ? 26.160  8.804   -14.605 1.00 80.96 174 A  1 
ATOM   1349 C CG2 . VAL    A  1  174 ? 27.382  6.910   -15.582 1.00 81.69 174 A  1 
ATOM   1350 N N   . VAL    A  1  175 ? 27.341  8.218   -11.108 1.00 89.73 175 A  1 
ATOM   1351 C CA  . VAL    A  1  175 ? 27.000  9.026   -9.923  1.00 88.66 175 A  1 
ATOM   1352 C C   . VAL    A  1  175 ? 28.239  9.499   -9.163  1.00 87.23 175 A  1 
ATOM   1353 O O   . VAL    A  1  175 ? 28.236  10.596  -8.591  1.00 83.45 175 A  1 
ATOM   1354 C CB  . VAL    A  1  175 ? 26.067  8.244   -8.989  1.00 88.03 175 A  1 
ATOM   1355 C CG1 . VAL    A  1  175 ? 25.729  9.034   -7.716  1.00 79.45 175 A  1 
ATOM   1356 C CG2 . VAL    A  1  175 ? 24.742  7.936   -9.684  1.00 81.13 175 A  1 
ATOM   1357 N N   . LEU    A  1  176 ? 29.278  8.689   -9.145  1.00 88.00 176 A  1 
ATOM   1358 C CA  . LEU    A  1  176 ? 30.540  9.050   -8.494  1.00 86.14 176 A  1 
ATOM   1359 C C   . LEU    A  1  176 ? 31.287  10.169  -9.232  1.00 83.69 176 A  1 
ATOM   1360 O O   . LEU    A  1  176 ? 32.059  10.887  -8.603  1.00 77.56 176 A  1 
ATOM   1361 C CB  . LEU    A  1  176 ? 31.422  7.805   -8.351  1.00 84.45 176 A  1 
ATOM   1362 C CG  . LEU    A  1  176 ? 30.907  6.758   -7.343  1.00 81.57 176 A  1 
ATOM   1363 C CD1 . LEU    A  1  176 ? 31.819  5.540   -7.377  1.00 75.43 176 A  1 
ATOM   1364 C CD2 . LEU    A  1  176 ? 30.869  7.294   -5.910  1.00 75.59 176 A  1 
ATOM   1365 N N   . GLN    A  1  177 ? 31.001  10.347  -10.496 1.00 84.68 177 A  1 
ATOM   1366 C CA  . GLN    A  1  177 ? 31.531  11.447  -11.308 1.00 81.63 177 A  1 
ATOM   1367 C C   . GLN    A  1  177 ? 30.437  12.487  -11.604 1.00 79.19 177 A  1 
ATOM   1368 O O   . GLN    A  1  177 ? 30.045  12.668  -12.756 1.00 70.82 177 A  1 
ATOM   1369 C CB  . GLN    A  1  177 ? 32.151  10.886  -12.590 1.00 77.96 177 A  1 
ATOM   1370 C CG  . GLN    A  1  177 ? 33.364  9.994   -12.313 1.00 69.25 177 A  1 
ATOM   1371 C CD  . GLN    A  1  177 ? 34.000  9.477   -13.604 1.00 64.26 177 A  1 
ATOM   1372 O OE1 . GLN    A  1  177 ? 33.617  9.816   -14.708 1.00 57.46 177 A  1 
ATOM   1373 N NE2 . GLN    A  1  177 ? 35.002  8.641   -13.501 1.00 55.21 177 A  1 
ATOM   1374 N N   . PRO    A  1  178 ? 29.915  13.154  -10.585 1.00 74.28 178 A  1 
ATOM   1375 C CA  . PRO    A  1  178 ? 28.781  14.041  -10.788 1.00 69.94 178 A  1 
ATOM   1376 C C   . PRO    A  1  178 ? 29.172  15.233  -11.673 1.00 68.05 178 A  1 
ATOM   1377 O O   . PRO    A  1  178 ? 30.248  15.810  -11.503 1.00 61.30 178 A  1 
ATOM   1378 C CB  . PRO    A  1  178 ? 28.361  14.481  -9.384  1.00 64.58 178 A  1 
ATOM   1379 C CG  . PRO    A  1  178 ? 29.650  14.385  -8.580  1.00 60.20 178 A  1 
ATOM   1380 C CD  . PRO    A  1  178 ? 30.359  13.189  -9.212  1.00 63.22 178 A  1 
ATOM   1381 N N   . PRO    A  1  179 ? 28.289  15.655  -12.556 1.00 65.99 179 A  1 
ATOM   1382 C CA  . PRO    A  1  179 ? 28.522  16.875  -13.311 1.00 63.28 179 A  1 
ATOM   1383 C C   . PRO    A  1  179 ? 28.627  18.075  -12.359 1.00 62.85 179 A  1 
ATOM   1384 O O   . PRO    A  1  179 ? 27.858  18.196  -11.401 1.00 57.23 179 A  1 
ATOM   1385 C CB  . PRO    A  1  179 ? 27.343  16.963  -14.285 1.00 57.29 179 A  1 
ATOM   1386 C CG  . PRO    A  1  179 ? 26.244  16.123  -13.629 1.00 53.57 179 A  1 
ATOM   1387 C CD  . PRO    A  1  179 ? 27.014  15.056  -12.870 1.00 55.49 179 A  1 
ATOM   1388 N N   . ARG    A  1  180 ? 29.526  18.992  -12.646 1.00 57.59 180 A  1 
ATOM   1389 C CA  . ARG    A  1  180 ? 29.852  20.163  -11.806 1.00 57.57 180 A  1 
ATOM   1390 C C   . ARG    A  1  180 ? 28.652  20.990  -11.321 1.00 57.12 180 A  1 
ATOM   1391 O O   . ARG    A  1  180 ? 28.760  21.678  -10.318 1.00 53.39 180 A  1 
ATOM   1392 C CB  . ARG    A  1  180 ? 30.789  21.113  -12.569 1.00 52.90 180 A  1 
ATOM   1393 C CG  . ARG    A  1  180 ? 32.262  20.684  -12.555 1.00 48.36 180 A  1 
ATOM   1394 C CD  . ARG    A  1  180 ? 33.105  21.780  -13.206 1.00 45.33 180 A  1 
ATOM   1395 N NE  . ARG    A  1  180 ? 34.541  21.484  -13.134 1.00 40.77 180 A  1 
ATOM   1396 C CZ  . ARG    A  1  180 ? 35.517  22.218  -13.646 1.00 36.19 180 A  1 
ATOM   1397 N NH1 . ARG    A  1  180 ? 35.274  23.321  -14.304 1.00 34.35 180 A  1 
ATOM   1398 N NH2 . ARG    A  1  180 ? 36.756  21.856  -13.500 1.00 31.89 180 A  1 
ATOM   1399 N N   . ARG    A  1  181 ? 27.537  20.925  -11.997 1.00 54.95 181 A  1 
ATOM   1400 C CA  . ARG    A  1  181 ? 26.357  21.710  -11.610 1.00 55.23 181 A  1 
ATOM   1401 C C   . ARG    A  1  181 ? 25.804  21.395  -10.215 1.00 55.07 181 A  1 
ATOM   1402 O O   . ARG    A  1  181 ? 25.105  22.241  -9.674  1.00 52.13 181 A  1 
ATOM   1403 C CB  . ARG    A  1  181 ? 25.240  21.559  -12.650 1.00 51.17 181 A  1 
ATOM   1404 C CG  . ARG    A  1  181 ? 25.390  22.549  -13.813 1.00 47.09 181 A  1 
ATOM   1405 C CD  . ARG    A  1  181 ? 24.152  22.488  -14.707 1.00 44.86 181 A  1 
ATOM   1406 N NE  . ARG    A  1  181 ? 24.214  23.477  -15.791 1.00 40.69 181 A  1 
ATOM   1407 C CZ  . ARG    A  1  181 ? 23.295  23.660  -16.736 1.00 36.72 181 A  1 
ATOM   1408 N NH1 . ARG    A  1  181 ? 22.203  22.943  -16.770 1.00 35.30 181 A  1 
ATOM   1409 N NH2 . ARG    A  1  181 ? 23.466  24.562  -17.654 1.00 32.87 181 A  1 
ATOM   1410 N N   . LYS    A  1  182 ? 26.107  20.244  -9.655  1.00 51.31 182 A  1 
ATOM   1411 C CA  . LYS    A  1  182 ? 25.670  19.937  -8.278  1.00 52.53 182 A  1 
ATOM   1412 C C   . LYS    A  1  182 ? 26.418  20.761  -7.214  1.00 52.06 182 A  1 
ATOM   1413 O O   . LYS    A  1  182 ? 25.948  20.819  -6.088  1.00 49.71 182 A  1 
ATOM   1414 C CB  . LYS    A  1  182 ? 25.755  18.428  -7.975  1.00 49.89 182 A  1 
ATOM   1415 C CG  . LYS    A  1  182 ? 24.495  17.622  -8.373  1.00 46.59 182 A  1 
ATOM   1416 C CD  . LYS    A  1  182 ? 24.531  16.184  -7.805  1.00 43.78 182 A  1 
ATOM   1417 C CE  . LYS    A  1  182 ? 23.254  15.376  -8.117  1.00 39.43 182 A  1 
ATOM   1418 N NZ  . LYS    A  1  182 ? 23.248  14.000  -7.538  1.00 36.57 182 A  1 
ATOM   1419 N N   . GLU    A  1  183 ? 27.522  21.364  -7.544  1.00 53.64 183 A  1 
ATOM   1420 C CA  . GLU    A  1  183 ? 28.348  22.080  -6.563  1.00 54.29 183 A  1 
ATOM   1421 C C   . GLU    A  1  183 ? 27.786  23.428  -6.110  1.00 53.17 183 A  1 
ATOM   1422 O O   . GLU    A  1  183 ? 28.251  23.948  -5.103  1.00 50.85 183 A  1 
ATOM   1423 C CB  . GLU    A  1  183 ? 29.765  22.288  -7.098  1.00 51.22 183 A  1 
ATOM   1424 C CG  . GLU    A  1  183 ? 30.602  21.013  -7.054  1.00 46.94 183 A  1 
ATOM   1425 C CD  . GLU    A  1  183 ? 32.060  21.258  -7.446  1.00 44.20 183 A  1 
ATOM   1426 O OE1 . GLU    A  1  183 ? 32.897  20.425  -7.057  1.00 40.70 183 A  1 
ATOM   1427 O OE2 . GLU    A  1  183 ? 32.321  22.264  -8.146  1.00 41.35 183 A  1 
ATOM   1428 N N   . VAL    A  1  184 ? 26.830  23.994  -6.806  1.00 55.29 184 A  1 
ATOM   1429 C CA  . VAL    A  1  184 ? 26.380  25.341  -6.435  1.00 57.05 184 A  1 
ATOM   1430 C C   . VAL    A  1  184 ? 25.653  25.306  -5.084  1.00 56.28 184 A  1 
ATOM   1431 O O   . VAL    A  1  184 ? 24.529  24.804  -4.998  1.00 53.22 184 A  1 
ATOM   1432 C CB  . VAL    A  1  184 ? 25.526  26.006  -7.526  1.00 53.28 184 A  1 
ATOM   1433 C CG1 . VAL    A  1  184 ? 25.183  27.443  -7.129  1.00 47.53 184 A  1 
ATOM   1434 C CG2 . VAL    A  1  184 ? 26.281  26.056  -8.856  1.00 48.70 184 A  1 
ATOM   1435 N N   . PRO    A  1  185 ? 26.242  25.864  -4.047  1.00 56.75 185 A  1 
ATOM   1436 C CA  . PRO    A  1  185 ? 25.761  25.651  -2.682  1.00 57.91 185 A  1 
ATOM   1437 C C   . PRO    A  1  185 ? 24.411  26.302  -2.396  1.00 57.83 185 A  1 
ATOM   1438 O O   . PRO    A  1  185 ? 23.656  25.814  -1.561  1.00 55.01 185 A  1 
ATOM   1439 C CB  . PRO    A  1  185 ? 26.867  26.215  -1.784  1.00 55.13 185 A  1 
ATOM   1440 C CG  . PRO    A  1  185 ? 27.573  27.226  -2.670  1.00 53.65 185 A  1 
ATOM   1441 C CD  . PRO    A  1  185 ? 27.458  26.605  -4.054  1.00 57.30 185 A  1 
ATOM   1442 N N   . ARG    A  1  186 ? 24.095  27.383  -3.087  1.00 57.63 186 A  1 
ATOM   1443 C CA  . ARG    A  1  186 ? 22.843  28.110  -2.862  1.00 60.16 186 A  1 
ATOM   1444 C C   . ARG    A  1  186 ? 21.600  27.276  -3.155  1.00 58.41 186 A  1 
ATOM   1445 O O   . ARG    A  1  186 ? 20.622  27.400  -2.430  1.00 55.78 186 A  1 
ATOM   1446 C CB  . ARG    A  1  186 ? 22.801  29.408  -3.684  1.00 56.82 186 A  1 
ATOM   1447 C CG  . ARG    A  1  186 ? 23.495  30.579  -2.981  1.00 52.38 186 A  1 
ATOM   1448 C CD  . ARG    A  1  186 ? 23.275  31.872  -3.767  1.00 50.33 186 A  1 
ATOM   1449 N NE  . ARG    A  1  186 ? 23.837  33.044  -3.074  1.00 44.70 186 A  1 
ATOM   1450 C CZ  . ARG    A  1  186 ? 23.821  34.301  -3.512  1.00 41.57 186 A  1 
ATOM   1451 N NH1 . ARG    A  1  186 ? 23.280  34.613  -4.658  1.00 39.51 186 A  1 
ATOM   1452 N NH2 . ARG    A  1  186 ? 24.344  35.255  -2.803  1.00 37.35 186 A  1 
ATOM   1453 N N   . ARG    A  1  187 ? 21.641  26.445  -4.157  1.00 52.38 187 A  1 
ATOM   1454 C CA  . ARG    A  1  187 ? 20.480  25.614  -4.486  1.00 55.37 187 A  1 
ATOM   1455 C C   . ARG    A  1  187 ? 20.224  24.513  -3.457  1.00 53.43 187 A  1 
ATOM   1456 O O   . ARG    A  1  187 ? 19.080  24.117  -3.299  1.00 51.31 187 A  1 
ATOM   1457 C CB  . ARG    A  1  187 ? 20.583  25.032  -5.900  1.00 52.41 187 A  1 
ATOM   1458 C CG  . ARG    A  1  187 ? 20.025  25.999  -6.952  1.00 48.73 187 A  1 
ATOM   1459 C CD  . ARG    A  1  187 ? 19.950  25.317  -8.318  1.00 46.79 187 A  1 
ATOM   1460 N NE  . ARG    A  1  187 ? 19.338  26.184  -9.338  1.00 42.56 187 A  1 
ATOM   1461 C CZ  . ARG    A  1  187 ? 19.093  25.859  -10.605 1.00 39.90 187 A  1 
ATOM   1462 N NH1 . ARG    A  1  187 ? 19.397  24.680  -11.070 1.00 37.90 187 A  1 
ATOM   1463 N NH2 . ARG    A  1  187 ? 18.538  26.713  -11.408 1.00 36.22 187 A  1 
ATOM   1464 N N   . ARG    A  1  188 ? 21.235  24.085  -2.743  1.00 50.35 188 A  1 
ATOM   1465 C CA  . ARG    A  1  188 ? 21.051  23.072  -1.693  1.00 53.04 188 A  1 
ATOM   1466 C C   . ARG    A  1  188 ? 20.121  23.540  -0.573  1.00 50.96 188 A  1 
ATOM   1467 O O   . ARG    A  1  188 ? 19.387  22.719  -0.046  1.00 48.17 188 A  1 
ATOM   1468 C CB  . ARG    A  1  188 ? 22.397  22.636  -1.101  1.00 50.81 188 A  1 
ATOM   1469 C CG  . ARG    A  1  188 ? 23.095  21.560  -1.938  1.00 47.22 188 A  1 
ATOM   1470 C CD  . ARG    A  1  188 ? 24.353  21.074  -1.220  1.00 44.41 188 A  1 
ATOM   1471 N NE  . ARG    A  1  188 ? 24.984  19.937  -1.909  1.00 40.61 188 A  1 
ATOM   1472 C CZ  . ARG    A  1  188 ? 26.114  19.331  -1.564  1.00 38.00 188 A  1 
ATOM   1473 N NH1 . ARG    A  1  188 ? 26.802  19.717  -0.526  1.00 35.82 188 A  1 
ATOM   1474 N NH2 . ARG    A  1  188 ? 26.562  18.331  -2.260  1.00 34.11 188 A  1 
ATOM   1475 N N   . LYS    A  1  189 ? 20.143  24.797  -0.234  1.00 50.52 189 A  1 
ATOM   1476 C CA  . LYS    A  1  189 ? 19.243  25.312  0.804   1.00 52.60 189 A  1 
ATOM   1477 C C   . LYS    A  1  189 ? 17.777  25.228  0.392   1.00 50.82 189 A  1 
ATOM   1478 O O   . LYS    A  1  189 ? 16.950  24.834  1.204   1.00 47.83 189 A  1 
ATOM   1479 C CB  . LYS    A  1  189 ? 19.595  26.749  1.205   1.00 50.28 189 A  1 
ATOM   1480 C CG  . LYS    A  1  189 ? 20.510  26.809  2.432   1.00 47.27 189 A  1 
ATOM   1481 C CD  . LYS    A  1  189 ? 20.677  28.248  2.921   1.00 44.73 189 A  1 
ATOM   1482 C CE  . LYS    A  1  189 ? 21.511  28.296  4.211   1.00 40.15 189 A  1 
ATOM   1483 N NZ  . LYS    A  1  189 ? 21.643  29.670  4.757   1.00 38.93 189 A  1 
ATOM   1484 N N   . ASN    A  1  190 ? 17.484  25.578  -0.822  1.00 57.98 190 A  1 
ATOM   1485 C CA  . ASN    A  1  190 ? 16.103  25.515  -1.300  1.00 60.27 190 A  1 
ATOM   1486 C C   . ASN    A  1  190 ? 15.610  24.078  -1.468  1.00 60.29 190 A  1 
ATOM   1487 O O   . ASN    A  1  190 ? 14.462  23.796  -1.152  1.00 55.33 190 A  1 
ATOM   1488 C CB  . ASN    A  1  190 ? 15.950  26.330  -2.587  1.00 55.98 190 A  1 
ATOM   1489 C CG  . ASN    A  1  190 ? 15.759  27.815  -2.323  1.00 51.22 190 A  1 
ATOM   1490 O OD1 . ASN    A  1  190 ? 15.725  28.278  -1.206  1.00 47.43 190 A  1 
ATOM   1491 N ND2 . ASN    A  1  190 ? 15.628  28.597  -3.370  1.00 48.04 190 A  1 
ATOM   1492 N N   . HIS    A  1  191 ? 16.481  23.190  -1.871  1.00 55.25 191 A  1 
ATOM   1493 C CA  . HIS    A  1  191 ? 16.122  21.778  -1.985  1.00 55.94 191 A  1 
ATOM   1494 C C   . HIS    A  1  191 ? 15.790  21.119  -0.652  1.00 53.16 191 A  1 
ATOM   1495 O O   . HIS    A  1  191 ? 14.955  20.228  -0.628  1.00 50.89 191 A  1 
ATOM   1496 C CB  . HIS    A  1  191 ? 17.221  21.002  -2.704  1.00 54.42 191 A  1 
ATOM   1497 C CG  . HIS    A  1  191 ? 16.932  20.844  -4.165  1.00 51.37 191 A  1 
ATOM   1498 N ND1 . HIS    A  1  191 ? 15.859  20.172  -4.687  1.00 46.98 191 A  1 
ATOM   1499 C CD2 . HIS    A  1  191 ? 17.653  21.321  -5.220  1.00 46.93 191 A  1 
ATOM   1500 C CE1 . HIS    A  1  191 ? 15.931  20.249  -6.030  1.00 45.75 191 A  1 
ATOM   1501 N NE2 . HIS    A  1  191 ? 17.014  20.937  -6.388  1.00 44.97 191 A  1 
ATOM   1502 N N   . ARG    A  1  192 ? 16.395  21.566  0.418   1.00 50.75 192 A  1 
ATOM   1503 C CA  . ARG    A  1  192 ? 16.017  21.050  1.739   1.00 54.15 192 A  1 
ATOM   1504 C C   . ARG    A  1  192 ? 14.575  21.368  2.120   1.00 52.70 192 A  1 
ATOM   1505 O O   . ARG    A  1  192 ? 14.011  20.645  2.918   1.00 49.41 192 A  1 
ATOM   1506 C CB  . ARG    A  1  192 ? 16.950  21.585  2.826   1.00 51.63 192 A  1 
ATOM   1507 C CG  . ARG    A  1  192 ? 18.238  20.777  2.941   1.00 47.82 192 A  1 
ATOM   1508 C CD  . ARG    A  1  192 ? 19.019  21.271  4.159   1.00 45.01 192 A  1 
ATOM   1509 N NE  . ARG    A  1  192 ? 20.230  20.474  4.394   1.00 41.05 192 A  1 
ATOM   1510 C CZ  . ARG    A  1  192 ? 21.069  20.618  5.411   1.00 38.52 192 A  1 
ATOM   1511 N NH1 . ARG    A  1  192 ? 20.883  21.533  6.319   1.00 36.22 192 A  1 
ATOM   1512 N NH2 . ARG    A  1  192 ? 22.101  19.835  5.525   1.00 34.55 192 A  1 
ATOM   1513 N N   . ARG    A  1  193 ? 14.039  22.426  1.585   1.00 52.13 193 A  1 
ATOM   1514 C CA  . ARG    A  1  193 ? 12.642  22.783  1.844   1.00 55.81 193 A  1 
ATOM   1515 C C   . ARG    A  1  193 ? 11.664  22.103  0.892   1.00 55.41 193 A  1 
ATOM   1516 O O   . ARG    A  1  193 ? 10.479  22.103  1.173   1.00 51.88 193 A  1 
ATOM   1517 C CB  . ARG    A  1  193 ? 12.456  24.300  1.771   1.00 53.35 193 A  1 
ATOM   1518 C CG  . ARG    A  1  193 ? 13.047  25.039  2.969   1.00 49.55 193 A  1 
ATOM   1519 C CD  . ARG    A  1  193 ? 12.695  26.520  2.862   1.00 47.33 193 A  1 
ATOM   1520 N NE  . ARG    A  1  193 ? 13.120  27.275  4.053   1.00 42.81 193 A  1 
ATOM   1521 C CZ  . ARG    A  1  193 ? 12.915  28.570  4.269   1.00 39.43 193 A  1 
ATOM   1522 N NH1 . ARG    A  1  193 ? 12.316  29.312  3.378   1.00 36.46 193 A  1 
ATOM   1523 N NH2 . ARG    A  1  193 ? 13.303  29.119  5.378   1.00 34.91 193 A  1 
ATOM   1524 N N   . SER    A  1  194 ? 12.152  21.594  -0.205  1.00 59.69 194 A  1 
ATOM   1525 C CA  . SER    A  1  194 ? 11.273  21.059  -1.244  1.00 62.45 194 A  1 
ATOM   1526 C C   . SER    A  1  194 ? 11.100  19.548  -1.216  1.00 62.60 194 A  1 
ATOM   1527 O O   . SER    A  1  194 ? 10.168  19.037  -1.824  1.00 56.94 194 A  1 
ATOM   1528 C CB  . SER    A  1  194 ? 11.770  21.490  -2.617  1.00 58.69 194 A  1 
ATOM   1529 O OG  . SER    A  1  194 ? 13.017  20.896  -2.893  1.00 52.53 194 A  1 
ATOM   1530 N N   . GLY    A  1  195 ? 11.990  18.874  -0.537  1.00 62.37 195 A  1 
ATOM   1531 C CA  . GLY    A  1  195 ? 11.903  17.435  -0.446  1.00 64.88 195 A  1 
ATOM   1532 C C   . GLY    A  1  195 ? 11.234  17.021  0.844   1.00 65.39 195 A  1 
ATOM   1533 O O   . GLY    A  1  195 ? 11.488  17.606  1.879   1.00 60.16 195 A  1 
ATOM   1534 N N   . CYS    A  1  196 ? 10.361  16.055  0.796   1.00 63.65 196 A  1 
ATOM   1535 C CA  . CYS    A  1  196 ? 9.830   15.466  1.857   1.00 69.09 196 A  1 
ATOM   1536 C C   . CYS    A  1  196 ? 9.867   14.348  1.836   1.00 66.09 196 A  1 
ATOM   1537 O O   . CYS    A  1  196 ? 9.921   14.406  1.016   1.00 60.91 196 A  1 
ATOM   1538 C CB  . CYS    A  1  196 ? 8.635   15.377  2.247   1.00 65.64 196 A  1 
ATOM   1539 S SG  . CYS    A  1  196 ? 8.454   14.422  2.963   1.00 64.40 196 A  1 
ATOM   1540 O OXT . CYS    A  1  196 ? 9.444   13.949  2.683   1.00 62.09 196 A  1 
HETATM 1541 C C1  . FAR    B  2  .   ? 7.807   13.382  4.144   1.00 32.47 1   B  1 
HETATM 1542 C C2  . FAR    B  2  .   ? 7.218   13.109  5.135   1.00 26.79 1   B  1 
HETATM 1543 C C3  . FAR    B  2  .   ? 7.017   13.504  6.219   1.00 20.20 1   B  1 
HETATM 1544 C C5  . FAR    B  2  .   ? 6.373   12.773  7.120   1.00 11.16 1   B  1 
HETATM 1545 C C6  . FAR    B  2  .   ? 5.376   12.632  7.492   1.00 9.43  1   B  1 
HETATM 1546 C C7  . FAR    B  2  .   ? 4.749   11.931  8.286   1.00 7.86  1   B  1 
HETATM 1547 C C8  . FAR    B  2  .   ? 3.640   11.837  8.628   1.00 7.80  1   B  1 
HETATM 1548 C C9  . FAR    B  2  .   ? 3.227   10.988  9.547   1.00 7.02  1   B  1 
HETATM 1549 C C11 . FAR    B  2  .   ? 2.219   10.864  10.100  1.00 5.24  1   B  1 
HETATM 1550 C C12 . FAR    B  2  .   ? 1.616   10.038  10.697  1.00 5.16  1   B  1 
HETATM 1551 C C13 . FAR    B  2  .   ? 0.584   9.843   11.187  1.00 3.12  1   B  1 
HETATM 1552 C C14 . FAR    B  2  .   ? -0.422  10.842  11.290  1.00 3.71  1   B  1 
HETATM 1553 C C15 . FAR    B  2  .   ? 0.172   8.623   11.687  1.00 4.37  1   B  1 
HETATM 1554 C C4  . FAR    B  2  .   ? 7.464   14.790  6.591   1.00 13.14 1   B  1 
HETATM 1555 C C10 . FAR    B  2  .   ? 2.697   12.659  7.970   1.00 8.77  1   B  1 
HETATM 1556 C C1  . LIG_C  C  3  .   ? -11.129 0.434   31.709  1.00 2.13  1   C  1 
HETATM 1557 C C2  . LIG_C  C  3  .   ? -11.918 -0.089  32.236  1.00 2.16  1   C  1 
HETATM 1558 C C3  . LIG_C  C  3  .   ? -12.126 -1.199  32.300  1.00 2.07  1   C  1 
HETATM 1559 C C4  . LIG_C  C  3  .   ? -11.747 -2.170  31.910  1.00 2.35  1   C  1 
HETATM 1560 C C5  . LIG_C  C  3  .   ? -11.233 -3.005  31.427  1.00 2.02  1   C  1 
HETATM 1561 C C6  . LIG_C  C  3  .   ? -10.589 -3.742  30.881  1.00 1.82  1   C  1 
HETATM 1562 C C7  . LIG_C  C  3  .   ? -9.930  -4.439  30.370  1.00 1.80  1   C  1 
HETATM 1563 C C8  . LIG_C  C  3  .   ? -9.278  -5.159  29.851  1.00 1.70  1   C  1 
HETATM 1564 C C9  . LIG_C  C  3  .   ? -8.696  -5.937  29.364  1.00 1.72  1   C  1 
HETATM 1565 C C10 . LIG_C  C  3  .   ? -8.108  -6.777  28.885  1.00 1.80  1   C  1 
HETATM 1566 C C11 . LIG_C  C  3  .   ? -7.554  -7.628  28.461  1.00 1.69  1   C  1 
HETATM 1567 C C12 . LIG_C  C  3  .   ? -6.984  -8.542  28.098  1.00 1.75  1   C  1 
HETATM 1568 C C13 . LIG_C  C  3  .   ? -6.462  -9.478  27.809  1.00 1.39  1   C  1 
HETATM 1569 C C14 . LIG_C  C  3  .   ? -5.913  -10.448 27.560  1.00 1.35  1   C  1 
HETATM 1570 C C15 . LIG_C  C  3  .   ? -5.447  -11.422 27.385  1.00 1.33  1   C  1 
HETATM 1571 C C16 . LIG_C  C  3  .   ? -4.857  -12.409 27.266  1.00 1.32  1   C  1 
HETATM 1572 C C17 . LIG_C  C  3  .   ? -4.492  -13.402 27.202  1.00 1.24  1   C  1 
HETATM 1573 C C18 . LIG_C  C  3  .   ? -3.665  -14.380 27.222  1.00 1.28  1   C  1 
HETATM 1574 O O1  . LIG_C  C  3  .   ? -3.838  -15.292 27.940  1.00 1.68  1   C  1 
HETATM 1575 O O2  . LIG_C  C  3  .   ? -2.709  -14.261 26.446  1.00 1.64  1   C  1 
HETATM 1576 C C19 . LIG_C  C  3  .   ? -1.762  -15.156 26.544  1.00 1.25  1   C  1 
HETATM 1577 C C20 . LIG_C  C  3  .   ? -0.500  -14.710 25.997  1.00 1.29  1   C  1 
HETATM 1578 C C21 . LIG_C  C  3  .   ? 0.595   -15.618 26.457  1.00 1.34  1   C  1 
HETATM 1579 O O3  . LIG_C  C  3  .   ? 0.607   -16.748 25.761  1.00 1.38  1   C  1 
HETATM 1580 P P1  . LIG_C  C  3  .   ? 1.554   -17.894 26.191  1.00 1.20  1   C  1 
HETATM 1581 O O4  . LIG_C  C  3  .   ? 1.784   -18.712 25.050  1.00 1.20  1   C  1 
HETATM 1582 O O5  . LIG_C  C  3  .   ? 2.654   -17.424 26.915  1.00 1.18  1   C  1 
HETATM 1583 O O6  . LIG_C  C  3  .   ? 0.622   -18.602 27.192  1.00 1.33  1   C  1 
HETATM 1584 C C22 . LIG_C  C  3  .   ? -0.278  -19.437 26.911  1.00 1.37  1   C  1 
HETATM 1585 C C23 . LIG_C  C  3  .   ? -0.980  -19.963 27.997  1.00 1.36  1   C  1 
HETATM 1586 N N1  . LIG_C  C  3  .   ? -2.336  -19.773 28.065  1.00 2.10  1   C  1 
HETATM 1587 C C24 . LIG_C  C  3  .   ? -2.938  -19.966 26.803  1.00 1.48  1   C  1 
HETATM 1588 C C25 . LIG_C  C  3  .   ? -2.595  -18.461 28.511  1.00 1.58  1   C  1 
HETATM 1589 C C26 . LIG_C  C  3  .   ? -2.886  -20.693 28.943  1.00 1.54  1   C  1 
HETATM 1590 O O7  . LIG_C  C  3  .   ? -0.199  -13.458 26.483  1.00 1.46  1   C  1 
HETATM 1591 C C27 . LIG_C  C  3  .   ? 0.183   -12.588 25.651  1.00 1.40  1   C  1 
HETATM 1592 O O8  . LIG_C  C  3  .   ? 0.630   -12.860 24.573  1.00 1.45  1   C  1 
HETATM 1593 C C28 . LIG_C  C  3  .   ? -0.005  -11.357 26.059  1.00 1.30  1   C  1 
HETATM 1594 C C29 . LIG_C  C  3  .   ? -0.149  -10.297 25.842  1.00 1.42  1   C  1 
HETATM 1595 C C30 . LIG_C  C  3  .   ? -0.487  -9.225  26.045  1.00 1.41  1   C  1 
HETATM 1596 C C31 . LIG_C  C  3  .   ? -0.899  -8.207  26.197  1.00 1.40  1   C  1 
HETATM 1597 C C32 . LIG_C  C  3  .   ? -1.373  -7.221  26.476  1.00 1.57  1   C  1 
HETATM 1598 C C33 . LIG_C  C  3  .   ? -1.928  -6.286  26.789  1.00 1.49  1   C  1 
HETATM 1599 C C34 . LIG_C  C  3  .   ? -2.550  -5.393  27.169  1.00 1.51  1   C  1 
HETATM 1600 C C35 . LIG_C  C  3  .   ? -3.208  -4.543  27.574  1.00 1.54  1   C  1 
HETATM 1601 C C36 . LIG_C  C  3  .   ? -3.907  -3.721  28.003  1.00 1.63  1   C  1 
HETATM 1602 C C37 . LIG_C  C  3  .   ? -4.638  -2.923  28.460  1.00 1.61  1   C  1 
HETATM 1603 C C38 . LIG_C  C  3  .   ? -5.398  -2.140  28.920  1.00 1.48  1   C  1 
HETATM 1604 C C39 . LIG_C  C  3  .   ? -6.203  -1.389  29.399  1.00 1.71  1   C  1 
HETATM 1605 C C40 . LIG_C  C  3  .   ? -7.018  -0.680  29.886  1.00 1.84  1   C  1 
HETATM 1606 C C41 . LIG_C  C  3  .   ? -7.851  0.025   30.356  1.00 1.58  1   C  1 
HETATM 1607 C C42 . LIG_C  C  3  .   ? -8.620  0.722   30.772  1.00 1.63  1   C  1 
HETATM 1608 C C43 . LIG_C  C  3  .   ? -9.314  1.511   31.112  1.00 1.36  1   C  1 
HETATM 1609 C C44 . LIG_C  C  3  .   ? -9.962  2.505   31.415  1.00 1.42  1   C  1 
HETATM 1610 C C1  . LIG_D  D  4  .   ? -18.173 -2.263  22.319  1.00 2.09  1   D  1 
HETATM 1611 C C2  . LIG_D  D  4  .   ? -18.086 -2.183  21.299  1.00 2.13  1   D  1 
HETATM 1612 C C3  . LIG_D  D  4  .   ? -17.526 -2.809  20.527  1.00 2.07  1   D  1 
HETATM 1613 C C4  . LIG_D  D  4  .   ? -16.881 -3.670  20.221  1.00 2.29  1   D  1 
HETATM 1614 C C5  . LIG_D  D  4  .   ? -16.210 -4.523  19.864  1.00 2.01  1   D  1 
HETATM 1615 C C6  . LIG_D  D  4  .   ? -15.495 -5.381  19.621  1.00 1.77  1   D  1 
HETATM 1616 C C7  . LIG_D  D  4  .   ? -14.775 -6.223  19.413  1.00 1.72  1   D  1 
HETATM 1617 C C8  . LIG_D  D  4  .   ? -14.055 -7.059  19.242  1.00 1.66  1   D  1 
HETATM 1618 C C9  . LIG_D  D  4  .   ? -13.347 -7.918  19.117  1.00 1.66  1   D  1 
HETATM 1619 C C10 . LIG_D  D  4  .   ? -12.653 -8.813  19.004  1.00 1.76  1   D  1 
HETATM 1620 C C11 . LIG_D  D  4  .   ? -12.000 -9.712  18.929  1.00 1.62  1   D  1 
HETATM 1621 C C12 . LIG_D  D  4  .   ? -11.375 -10.653 18.912  1.00 1.63  1   D  1 
HETATM 1622 C C13 . LIG_D  D  4  .   ? -10.767 -11.584 18.921  1.00 1.35  1   D  1 
HETATM 1623 C C14 . LIG_D  D  4  .   ? -10.197 -12.555 19.023  1.00 1.32  1   D  1 
HETATM 1624 C C15 . LIG_D  D  4  .   ? -9.569  -13.450 19.112  1.00 1.30  1   D  1 
HETATM 1625 C C16 . LIG_D  D  4  .   ? -9.043  -14.450 19.333  1.00 1.31  1   D  1 
HETATM 1626 C C17 . LIG_D  D  4  .   ? -8.260  -15.213 19.454  1.00 1.24  1   D  1 
HETATM 1627 C C18 . LIG_D  D  4  .   ? -7.992  -16.373 19.988  1.00 1.28  1   D  1 
HETATM 1628 O O1  . LIG_D  D  4  .   ? -8.857  -17.151 20.201  1.00 1.73  1   D  1 
HETATM 1629 O O2  . LIG_D  D  4  .   ? -6.808  -16.568 20.279  1.00 1.65  1   D  1 
HETATM 1630 C C19 . LIG_D  D  4  .   ? -6.542  -17.725 20.855  1.00 1.24  1   D  1 
HETATM 1631 C C20 . LIG_D  D  4  .   ? -5.571  -17.603 21.928  1.00 1.30  1   D  1 
HETATM 1632 C C21 . LIG_D  D  4  .   ? -5.068  -18.945 22.340  1.00 1.32  1   D  1 
HETATM 1633 O O3  . LIG_D  D  4  .   ? -4.901  -19.717 21.260  1.00 1.35  1   D  1 
HETATM 1634 P P1  . LIG_D  D  4  .   ? -3.912  -20.885 21.281  1.00 1.20  1   D  1 
HETATM 1635 O O4  . LIG_D  D  4  .   ? -2.613  -20.394 21.596  1.00 1.19  1   D  1 
HETATM 1636 O O5  . LIG_D  D  4  .   ? -4.119  -21.668 20.146  1.00 1.20  1   D  1 
HETATM 1637 O O6  . LIG_D  D  4  .   ? -4.518  -21.598 22.508  1.00 1.32  1   D  1 
HETATM 1638 C C22 . LIG_D  D  4  .   ? -4.160  -22.645 23.043  1.00 1.34  1   D  1 
HETATM 1639 C C23 . LIG_D  D  4  .   ? -4.915  -22.884 24.164  1.00 1.32  1   D  1 
HETATM 1640 N N1  . LIG_D  D  4  .   ? -4.663  -23.994 24.905  1.00 1.95  1   D  1 
HETATM 1641 C C24 . LIG_D  D  4  .   ? -3.665  -24.814 24.327  1.00 1.39  1   D  1 
HETATM 1642 C C25 . LIG_D  D  4  .   ? -5.859  -24.707 25.016  1.00 1.47  1   D  1 
HETATM 1643 C C26 . LIG_D  D  4  .   ? -4.250  -23.571 26.174  1.00 1.46  1   D  1 
HETATM 1644 O O7  . LIG_D  D  4  .   ? -6.203  -17.046 23.026  1.00 1.45  1   D  1 
HETATM 1645 C C27 . LIG_D  D  4  .   ? -5.574  -16.132 23.643  1.00 1.39  1   D  1 
HETATM 1646 O O8  . LIG_D  D  4  .   ? -4.400  -15.956 23.496  1.00 1.45  1   D  1 
HETATM 1647 C C28 . LIG_D  D  4  .   ? -6.317  -15.352 24.396  1.00 1.30  1   D  1 
HETATM 1648 C C29 . LIG_D  D  4  .   ? -6.991  -14.433 24.173  1.00 1.39  1   D  1 
HETATM 1649 C C30 . LIG_D  D  4  .   ? -7.727  -13.585 24.252  1.00 1.39  1   D  1 
HETATM 1650 C C31 . LIG_D  D  4  .   ? -8.475  -12.742 24.110  1.00 1.39  1   D  1 
HETATM 1651 C C32 . LIG_D  D  4  .   ? -9.252  -11.941 24.105  1.00 1.57  1   D  1 
HETATM 1652 C C33 . LIG_D  D  4  .   ? -10.063 -11.163 24.065  1.00 1.51  1   D  1 
HETATM 1653 C C34 . LIG_D  D  4  .   ? -10.892 -10.379 24.117  1.00 1.52  1   D  1 
HETATM 1654 C C35 . LIG_D  D  4  .   ? -11.697 -9.584  24.196  1.00 1.56  1   D  1 
HETATM 1655 C C36 . LIG_D  D  4  .   ? -12.499 -8.779  24.306  1.00 1.62  1   D  1 
HETATM 1656 C C37 . LIG_D  D  4  .   ? -13.304 -7.969  24.441  1.00 1.65  1   D  1 
HETATM 1657 C C38 . LIG_D  D  4  .   ? -14.105 -7.140  24.553  1.00 1.48  1   D  1 
HETATM 1658 C C39 . LIG_D  D  4  .   ? -14.910 -6.294  24.632  1.00 1.63  1   D  1 
HETATM 1659 C C40 . LIG_D  D  4  .   ? -15.709 -5.464  24.662  1.00 1.75  1   D  1 
HETATM 1660 C C41 . LIG_D  D  4  .   ? -16.507 -4.631  24.652  1.00 1.49  1   D  1 
HETATM 1661 C C42 . LIG_D  D  4  .   ? -17.273 -3.849  24.665  1.00 1.55  1   D  1 
HETATM 1662 C C43 . LIG_D  D  4  .   ? -18.059 -3.080  24.780  1.00 1.31  1   D  1 
HETATM 1663 C C44 . LIG_D  D  4  .   ? -18.898 -2.272  25.024  1.00 1.40  1   D  1 
HETATM 1664 C C1  . LIG_E  E  5  .   ? -3.158  14.959  11.492  1.00 2.38  1   E  1 
HETATM 1665 C C2  . LIG_E  E  5  .   ? -3.065  14.928  12.562  1.00 2.14  1   E  1 
HETATM 1666 C C3  . LIG_E  E  5  .   ? -2.512  14.243  13.275  1.00 2.04  1   E  1 
HETATM 1667 C C4  . LIG_E  E  5  .   ? -1.920  13.439  13.782  1.00 2.40  1   E  1 
HETATM 1668 C C5  . LIG_E  E  5  .   ? -1.312  12.604  14.319  1.00 2.19  1   E  1 
HETATM 1669 C C6  . LIG_E  E  5  .   ? -0.713  11.712  14.719  1.00 1.97  1   E  1 
HETATM 1670 C C7  . LIG_E  E  5  .   ? -0.106  10.788  14.985  1.00 1.93  1   E  1 
HETATM 1671 C C8  . LIG_E  E  5  .   ? 0.524   9.853   15.047  1.00 1.87  1   E  1 
HETATM 1672 C C9  . LIG_E  E  5  .   ? 1.166   8.952   14.910  1.00 2.02  1   E  1 
HETATM 1673 C C10 . LIG_E  E  5  .   ? 1.857   8.081   14.590  1.00 2.18  1   E  1 
HETATM 1674 C C11 . LIG_E  E  5  .   ? 2.554   7.311   14.164  1.00 2.09  1   E  1 
HETATM 1675 C C12 . LIG_E  E  5  .   ? 3.292   6.576   13.682  1.00 2.30  1   E  1 
HETATM 1676 C C13 . LIG_E  E  5  .   ? 4.015   5.901   13.134  1.00 1.65  1   E  1 
HETATM 1677 C C14 . LIG_E  E  5  .   ? 4.821   5.252   12.620  1.00 1.69  1   E  1 
HETATM 1678 C C15 . LIG_E  E  5  .   ? 5.561   4.618   12.064  1.00 1.72  1   E  1 
HETATM 1679 C C16 . LIG_E  E  5  .   ? 6.463   4.020   11.628  1.00 1.80  1   E  1 
HETATM 1680 C C17 . LIG_E  E  5  .   ? 7.137   3.463   10.980  1.00 1.55  1   E  1 
HETATM 1681 C C18 . LIG_E  E  5  .   ? 8.345   3.006   10.780  1.00 1.77  1   E  1 
HETATM 1682 O O1  . LIG_E  E  5  .   ? 9.097   2.834   11.680  1.00 2.75  1   E  1 
HETATM 1683 O O2  . LIG_E  E  5  .   ? 8.616   2.803   9.599   1.00 2.50  1   E  1 
HETATM 1684 C C19 . LIG_E  E  5  .   ? 9.877   2.509   9.313   1.00 1.77  1   E  1 
HETATM 1685 C C20 . LIG_E  E  5  .   ? 10.058  2.398   7.870   1.00 2.24  1   E  1 
HETATM 1686 C C21 . LIG_E  E  5  .   ? 11.469  2.153   7.513   1.00 2.28  1   E  1 
HETATM 1687 O O3  . LIG_E  E  5  .   ? 11.896  1.068   8.105   1.00 2.18  1   E  1 
HETATM 1688 P P1  . LIG_E  E  5  .   ? 13.273  0.518   7.751   1.00 2.09  1   E  1 
HETATM 1689 O O4  . LIG_E  E  5  .   ? 13.698  1.036   6.480   1.00 2.27  1   E  1 
HETATM 1690 O O5  . LIG_E  E  5  .   ? 14.103  0.587   8.869   1.00 2.19  1   E  1 
HETATM 1691 O O6  . LIG_E  E  5  .   ? 12.754  -0.934  7.545   1.00 2.23  1   E  1 
HETATM 1692 C C22 . LIG_E  E  5  .   ? 13.417  -1.961  7.709   1.00 2.26  1   E  1 
HETATM 1693 C C23 . LIG_E  E  5  .   ? 14.018  -2.349  6.524   1.00 2.20  1   E  1 
HETATM 1694 N N1  . LIG_E  E  5  .   ? 15.155  -3.110  6.641   1.00 3.63  1   E  1 
HETATM 1695 C C24 . LIG_E  E  5  .   ? 15.959  -2.693  7.746   1.00 2.67  1   E  1 
HETATM 1696 C C25 . LIG_E  E  5  .   ? 14.791  -4.458  6.825   1.00 2.45  1   E  1 
HETATM 1697 C C26 . LIG_E  E  5  .   ? 15.876  -2.959  5.444   1.00 3.14  1   E  1 
HETATM 1698 O O7  . LIG_E  E  5  .   ? 9.759   3.598   7.291   1.00 2.53  1   E  1 
HETATM 1699 C C27 . LIG_E  E  5  .   ? 8.847   3.581   6.428   1.00 2.53  1   E  1 
HETATM 1700 O O8  . LIG_E  E  5  .   ? 8.308   2.556   6.077   1.00 2.30  1   E  1 
HETATM 1701 C C28 . LIG_E  E  5  .   ? 8.494   4.777   6.001   1.00 2.70  1   E  1 
HETATM 1702 C C29 . LIG_E  E  5  .   ? 7.395   5.229   6.102   1.00 2.65  1   E  1 
HETATM 1703 C C30 . LIG_E  E  5  .   ? 6.354   5.448   6.338   1.00 2.59  1   E  1 
HETATM 1704 C C31 . LIG_E  E  5  .   ? 5.293   5.811   6.503   1.00 2.21  1   E  1 
HETATM 1705 C C32 . LIG_E  E  5  .   ? 4.277   6.113   6.721   1.00 2.60  1   E  1 
HETATM 1706 C C33 . LIG_E  E  5  .   ? 3.236   6.470   6.910   1.00 2.16  1   E  1 
HETATM 1707 C C34 . LIG_E  E  5  .   ? 2.208   6.867   7.093   1.00 2.13  1   E  1 
HETATM 1708 C C35 . LIG_E  E  5  .   ? 1.213   7.370   7.225   1.00 2.02  1   E  1 
HETATM 1709 C C36 . LIG_E  E  5  .   ? 0.268   7.981   7.352   1.00 2.20  1   E  1 
HETATM 1710 C C37 . LIG_E  E  5  .   ? -0.594  8.734   7.489   1.00 2.25  1   E  1 
HETATM 1711 C C38 . LIG_E  E  5  .   ? -1.340  9.599   7.654   1.00 1.85  1   E  1 
HETATM 1712 C C39 . LIG_E  E  5  .   ? -1.963  10.566  7.873   1.00 1.96  1   E  1 
HETATM 1713 C C40 . LIG_E  E  5  .   ? -2.452  11.587  8.129   1.00 2.05  1   E  1 
HETATM 1714 C C41 . LIG_E  E  5  .   ? -2.852  12.624  8.401   1.00 1.69  1   E  1 
HETATM 1715 C C42 . LIG_E  E  5  .   ? -3.161  13.633  8.673   1.00 1.64  1   E  1 
HETATM 1716 C C43 . LIG_E  E  5  .   ? -3.470  14.647  8.838   1.00 1.43  1   E  1 
HETATM 1717 C C44 . LIG_E  E  5  .   ? -3.839  15.761  8.881   1.00 1.44  1   E  1 
HETATM 1718 C C1  . LIG_F  F  6  .   ? -22.637 -3.688  20.119  1.00 2.09  1   F  1 
HETATM 1719 C C2  . LIG_F  F  6  .   ? -22.817 -2.913  19.417  1.00 2.12  1   F  1 
HETATM 1720 C C3  . LIG_F  F  6  .   ? -22.344 -2.915  18.408  1.00 2.08  1   F  1 
HETATM 1721 C C4  . LIG_F  F  6  .   ? -21.736 -3.514  17.710  1.00 2.43  1   F  1 
HETATM 1722 C C5  . LIG_F  F  6  .   ? -21.165 -4.166  17.029  1.00 2.09  1   F  1 
HETATM 1723 C C6  . LIG_F  F  6  .   ? -20.617 -4.921  16.394  1.00 1.87  1   F  1 
HETATM 1724 C C7  . LIG_F  F  6  .   ? -20.116 -5.699  15.788  1.00 1.78  1   F  1 
HETATM 1725 C C8  . LIG_F  F  6  .   ? -19.630 -6.530  15.205  1.00 1.69  1   F  1 
HETATM 1726 C C9  . LIG_F  F  6  .   ? -19.147 -7.344  14.638  1.00 1.71  1   F  1 
HETATM 1727 C C10 . LIG_F  F  6  .   ? -18.638 -8.215  14.071  1.00 1.73  1   F  1 
HETATM 1728 C C11 . LIG_F  F  6  .   ? -18.139 -9.057  13.530  1.00 1.65  1   F  1 
HETATM 1729 C C12 . LIG_F  F  6  .   ? -17.629 -9.946  13.013  1.00 1.68  1   F  1 
HETATM 1730 C C13 . LIG_F  F  6  .   ? -17.072 -10.796 12.534  1.00 1.37  1   F  1 
HETATM 1731 C C14 . LIG_F  F  6  .   ? -16.527 -11.707 12.081  1.00 1.36  1   F  1 
HETATM 1732 C C15 . LIG_F  F  6  .   ? -15.880 -12.532 11.691  1.00 1.33  1   F  1 
HETATM 1733 C C16 . LIG_F  F  6  .   ? -15.362 -13.536 11.368  1.00 1.34  1   F  1 
HETATM 1734 C C17 . LIG_F  F  6  .   ? -14.568 -14.259 11.112  1.00 1.26  1   F  1 
HETATM 1735 C C18 . LIG_F  F  6  .   ? -14.326 -15.532 10.900  1.00 1.29  1   F  1 
HETATM 1736 O O1  . LIG_F  F  6  .   ? -15.204 -16.315 10.715  1.00 1.70  1   F  1 
HETATM 1737 O O2  . LIG_F  F  6  .   ? -13.137 -15.841 10.922  1.00 1.64  1   F  1 
HETATM 1738 C C19 . LIG_F  F  6  .   ? -12.875 -17.134 10.850  1.00 1.23  1   F  1 
HETATM 1739 C C20 . LIG_F  F  6  .   ? -11.532 -17.431 11.317  1.00 1.28  1   F  1 
HETATM 1740 C C21 . LIG_F  F  6  .   ? -11.185 -18.860 11.110  1.00 1.30  1   F  1 
HETATM 1741 O O3  . LIG_F  F  6  .   ? -10.113 -18.904 10.315  1.00 1.34  1   F  1 
HETATM 1742 P P1  . LIG_F  F  6  .   ? -9.343  -20.186 10.033  1.00 1.19  1   F  1 
HETATM 1743 O O4  . LIG_F  F  6  .   ? -8.800  -20.688 11.270  1.00 1.20  1   F  1 
HETATM 1744 O O5  . LIG_F  F  6  .   ? -8.507  -19.948 8.932   1.00 1.19  1   F  1 
HETATM 1745 O O6  . LIG_F  F  6  .   ? -10.483 -21.117 9.570   1.00 1.33  1   F  1 
HETATM 1746 C C22 . LIG_F  F  6  .   ? -10.346 -22.354 9.484   1.00 1.29  1   F  1 
HETATM 1747 C C23 . LIG_F  F  6  .   ? -11.257 -23.059 10.224  1.00 1.27  1   F  1 
HETATM 1748 N N1  . LIG_F  F  6  .   ? -10.848 -24.281 10.732  1.00 1.86  1   F  1 
HETATM 1749 C C24 . LIG_F  F  6  .   ? -10.864 -24.205 12.143  1.00 1.31  1   F  1 
HETATM 1750 C C25 . LIG_F  F  6  .   ? -11.742 -25.263 10.297  1.00 1.35  1   F  1 
HETATM 1751 C C26 . LIG_F  F  6  .   ? -9.535  -24.607 10.300  1.00 1.33  1   F  1 
HETATM 1752 O O7  . LIG_F  F  6  .   ? -11.439 -17.195 12.692  1.00 1.48  1   F  1 
HETATM 1753 C C27 . LIG_F  F  6  .   ? -10.543 -16.384 13.071  1.00 1.42  1   F  1 
HETATM 1754 O O8  . LIG_F  F  6  .   ? -9.759  -15.912 12.303  1.00 1.44  1   F  1 
HETATM 1755 C C28 . LIG_F  F  6  .   ? -10.593 -16.066 14.362  1.00 1.32  1   F  1 
HETATM 1756 C C29 . LIG_F  F  6  .   ? -11.237 -15.153 14.793  1.00 1.39  1   F  1 
HETATM 1757 C C30 . LIG_F  F  6  .   ? -11.920 -14.331 15.003  1.00 1.44  1   F  1 
HETATM 1758 C C31 . LIG_F  F  6  .   ? -12.661 -13.509 15.307  1.00 1.39  1   F  1 
HETATM 1759 C C32 . LIG_F  F  6  .   ? -13.400 -12.753 15.593  1.00 1.60  1   F  1 
HETATM 1760 C C33 . LIG_F  F  6  .   ? -14.171 -12.027 15.959  1.00 1.52  1   F  1 
HETATM 1761 C C34 . LIG_F  F  6  .   ? -14.954 -11.338 16.367  1.00 1.52  1   F  1 
HETATM 1762 C C35 . LIG_F  F  6  .   ? -15.734 -10.670 16.848  1.00 1.52  1   F  1 
HETATM 1763 C C36 . LIG_F  F  6  .   ? -16.509 -10.025 17.385  1.00 1.63  1   F  1 
HETATM 1764 C C37 . LIG_F  F  6  .   ? -17.287 -9.379  17.948  1.00 1.62  1   F  1 
HETATM 1765 C C38 . LIG_F  F  6  .   ? -18.067 -8.732  18.520  1.00 1.49  1   F  1 
HETATM 1766 C C39 . LIG_F  F  6  .   ? -18.848 -8.062  19.101  1.00 1.67  1   F  1 
HETATM 1767 C C40 . LIG_F  F  6  .   ? -19.606 -7.364  19.659  1.00 1.82  1   F  1 
HETATM 1768 C C41 . LIG_F  F  6  .   ? -20.364 -6.656  20.194  1.00 1.60  1   F  1 
HETATM 1769 C C42 . LIG_F  F  6  .   ? -21.085 -5.999  20.727  1.00 1.62  1   F  1 
HETATM 1770 C C43 . LIG_F  F  6  .   ? -21.793 -5.380  21.289  1.00 1.35  1   F  1 
HETATM 1771 C C44 . LIG_F  F  6  .   ? -22.586 -4.778  22.039  1.00 1.44  1   F  1 
HETATM 1772 C C1  . LIG_G  G  7  .   ? -24.291 -6.343  25.021  1.00 2.07  1   G  1 
HETATM 1773 C C2  . LIG_G  G  7  .   ? -23.306 -6.377  25.380  1.00 2.24  1   G  1 
HETATM 1774 C C3  . LIG_G  G  7  .   ? -22.239 -6.786  25.217  1.00 2.19  1   G  1 
HETATM 1775 C C4  . LIG_G  G  7  .   ? -21.300 -7.251  24.807  1.00 2.38  1   G  1 
HETATM 1776 C C5  . LIG_G  G  7  .   ? -20.357 -7.740  24.385  1.00 2.00  1   G  1 
HETATM 1777 C C6  . LIG_G  G  7  .   ? -19.483 -8.284  23.886  1.00 1.84  1   G  1 
HETATM 1778 C C7  . LIG_G  G  7  .   ? -18.648 -8.889  23.428  1.00 1.82  1   G  1 
HETATM 1779 C C8  . LIG_G  G  7  .   ? -17.875 -9.582  23.001  1.00 1.69  1   G  1 
HETATM 1780 C C9  . LIG_G  G  7  .   ? -17.128 -10.333 22.676  1.00 1.73  1   G  1 
HETATM 1781 C C10 . LIG_G  G  7  .   ? -16.386 -11.150 22.368  1.00 1.81  1   G  1 
HETATM 1782 C C11 . LIG_G  G  7  .   ? -15.696 -11.998 22.133  1.00 1.71  1   G  1 
HETATM 1783 C C12 . LIG_G  G  7  .   ? -15.048 -12.883 21.860  1.00 1.75  1   G  1 
HETATM 1784 C C13 . LIG_G  G  7  .   ? -14.425 -13.800 21.718  1.00 1.38  1   G  1 
HETATM 1785 C C14 . LIG_G  G  7  .   ? -13.860 -14.732 21.435  1.00 1.35  1   G  1 
HETATM 1786 C C15 . LIG_G  G  7  .   ? -13.281 -15.689 21.355  1.00 1.31  1   G  1 
HETATM 1787 C C16 . LIG_G  G  7  .   ? -12.807 -16.663 20.954  1.00 1.31  1   G  1 
HETATM 1788 C C17 . LIG_G  G  7  .   ? -12.301 -17.686 20.966  1.00 1.25  1   G  1 
HETATM 1789 C C18 . LIG_G  G  7  .   ? -12.039 -18.676 20.184  1.00 1.28  1   G  1 
HETATM 1790 O O1  . LIG_G  G  7  .   ? -11.703 -19.734 20.593  1.00 1.66  1   G  1 
HETATM 1791 O O2  . LIG_G  G  7  .   ? -12.223 -18.407 18.978  1.00 1.64  1   G  1 
HETATM 1792 C C19 . LIG_G  G  7  .   ? -12.005 -19.363 18.116  1.00 1.25  1   G  1 
HETATM 1793 C C20 . LIG_G  G  7  .   ? -12.810 -19.330 16.917  1.00 1.28  1   G  1 
HETATM 1794 C C21 . LIG_G  G  7  .   ? -11.973 -19.775 15.777  1.00 1.32  1   G  1 
HETATM 1795 O O3  . LIG_G  G  7  .   ? -11.610 -21.044 15.992  1.00 1.35  1   G  1 
HETATM 1796 P P1  . LIG_G  G  7  .   ? -10.370 -21.620 15.298  1.00 1.21  1   G  1 
HETATM 1797 O O4  . LIG_G  G  7  .   ? -10.580 -23.037 15.134  1.00 1.20  1   G  1 
HETATM 1798 O O5  . LIG_G  G  7  .   ? -9.975  -20.869 14.211  1.00 1.19  1   G  1 
HETATM 1799 O O6  . LIG_G  G  7  .   ? -9.335  -21.406 16.401  1.00 1.32  1   G  1 
HETATM 1800 C C22 . LIG_G  G  7  .   ? -9.140  -22.225 17.381  1.00 1.35  1   G  1 
HETATM 1801 C C23 . LIG_G  G  7  .   ? -8.191  -21.811 18.277  1.00 1.31  1   G  1 
HETATM 1802 N N1  . LIG_G  G  7  .   ? -8.116  -22.421 19.508  1.00 2.04  1   G  1 
HETATM 1803 C C24 . LIG_G  G  7  .   ? -8.163  -21.398 20.464  1.00 1.39  1   G  1 
HETATM 1804 C C25 . LIG_G  G  7  .   ? -6.898  -23.119 19.576  1.00 1.41  1   G  1 
HETATM 1805 C C26 . LIG_G  G  7  .   ? -9.166  -23.319 19.730  1.00 1.46  1   G  1 
HETATM 1806 O O7  . LIG_G  G  7  .   ? -13.229 -18.057 16.642  1.00 1.46  1   G  1 
HETATM 1807 C C27 . LIG_G  G  7  .   ? -14.453 -17.852 16.899  1.00 1.45  1   G  1 
HETATM 1808 O O8  . LIG_G  G  7  .   ? -15.196 -18.748 17.199  1.00 1.49  1   G  1 
HETATM 1809 C C28 . LIG_G  G  7  .   ? -14.849 -16.615 16.866  1.00 1.32  1   G  1 
HETATM 1810 C C29 . LIG_G  G  7  .   ? -15.710 -16.066 17.403  1.00 1.40  1   G  1 
HETATM 1811 C C30 . LIG_G  G  7  .   ? -16.428 -15.313 17.808  1.00 1.40  1   G  1 
HETATM 1812 C C31 . LIG_G  G  7  .   ? -17.239 -14.693 18.306  1.00 1.36  1   G  1 
HETATM 1813 C C32 . LIG_G  G  7  .   ? -18.021 -14.022 18.728  1.00 1.52  1   G  1 
HETATM 1814 C C33 . LIG_G  G  7  .   ? -18.840 -13.365 19.161  1.00 1.47  1   G  1 
HETATM 1815 C C34 . LIG_G  G  7  .   ? -19.655 -12.683 19.561  1.00 1.47  1   G  1 
HETATM 1816 C C35 . LIG_G  G  7  .   ? -20.487 -12.017 19.980  1.00 1.56  1   G  1 
HETATM 1817 C C36 . LIG_G  G  7  .   ? -21.323 -11.348 20.393  1.00 1.65  1   G  1 
HETATM 1818 C C37 . LIG_G  G  7  .   ? -22.153 -10.684 20.816  1.00 1.66  1   G  1 
HETATM 1819 C C38 . LIG_G  G  7  .   ? -22.976 -10.009 21.262  1.00 1.51  1   G  1 
HETATM 1820 C C39 . LIG_G  G  7  .   ? -23.787 -9.336  21.741  1.00 1.72  1   G  1 
HETATM 1821 C C40 . LIG_G  G  7  .   ? -24.543 -8.655  22.257  1.00 1.83  1   G  1 
HETATM 1822 C C41 . LIG_G  G  7  .   ? -25.254 -7.949  22.804  1.00 1.57  1   G  1 
HETATM 1823 C C42 . LIG_G  G  7  .   ? -25.920 -7.276  23.338  1.00 1.68  1   G  1 
HETATM 1824 C C43 . LIG_G  G  7  .   ? -26.634 -6.607  23.845  1.00 1.40  1   G  1 
HETATM 1825 C C44 . LIG_G  G  7  .   ? -27.423 -5.920  24.335  1.00 1.54  1   G  1 
HETATM 1826 C C1  . LIG_H  H  8  .   ? -18.085 7.049   -2.080  1.00 2.02  1   H  1 
HETATM 1827 C C2  . LIG_H  H  8  .   ? -17.837 6.573   -1.326  1.00 1.97  1   H  1 
HETATM 1828 C C3  . LIG_H  H  8  .   ? -17.371 5.630   -1.027  1.00 1.85  1   H  1 
HETATM 1829 C C4  . LIG_H  H  8  .   ? -16.918 4.645   -0.947  1.00 2.25  1   H  1 
HETATM 1830 C C5  . LIG_H  H  8  .   ? -16.436 3.629   -0.982  1.00 1.94  1   H  1 
HETATM 1831 C C6  . LIG_H  H  8  .   ? -15.964 2.642   -1.179  1.00 1.74  1   H  1 
HETATM 1832 C C7  . LIG_H  H  8  .   ? -15.481 1.688   -1.468  1.00 1.74  1   H  1 
HETATM 1833 C C8  . LIG_H  H  8  .   ? -14.999 0.773   -1.866  1.00 1.69  1   H  1 
HETATM 1834 C C9  . LIG_H  H  8  .   ? -14.536 -0.102  -2.327  1.00 1.73  1   H  1 
HETATM 1835 C C10 . LIG_H  H  8  .   ? -14.034 -0.985  -2.854  1.00 1.85  1   H  1 
HETATM 1836 C C11 . LIG_H  H  8  .   ? -13.532 -1.810  -3.405  1.00 1.76  1   H  1 
HETATM 1837 C C12 . LIG_H  H  8  .   ? -12.988 -2.634  -3.965  1.00 2.03  1   H  1 
HETATM 1838 C C13 . LIG_H  H  8  .   ? -12.458 -3.452  -4.518  1.00 1.48  1   H  1 
HETATM 1839 C C14 . LIG_H  H  8  .   ? -11.860 -4.269  -5.063  1.00 1.53  1   H  1 
HETATM 1840 C C15 . LIG_H  H  8  .   ? -11.320 -5.073  -5.598  1.00 1.55  1   H  1 
HETATM 1841 C C16 . LIG_H  H  8  .   ? -10.654 -5.910  -6.078  1.00 1.62  1   H  1 
HETATM 1842 C C17 . LIG_H  H  8  .   ? -10.200 -6.647  -6.689  1.00 1.41  1   H  1 
HETATM 1843 C C18 . LIG_H  H  8  .   ? -9.291  -7.471  -7.139  1.00 1.53  1   H  1 
HETATM 1844 O O1  . LIG_H  H  8  .   ? -8.596  -8.097  -6.425  1.00 2.20  1   H  1 
HETATM 1845 O O2  . LIG_H  H  8  .   ? -9.236  -7.485  -8.359  1.00 1.96  1   H  1 
HETATM 1846 C C19 . LIG_H  H  8  .   ? -8.254  -8.148  -8.940  1.00 1.47  1   H  1 
HETATM 1847 C C20 . LIG_H  H  8  .   ? -8.271  -7.886  -10.386 1.00 1.61  1   H  1 
HETATM 1848 C C21 . LIG_H  H  8  .   ? -7.093  -8.472  -11.070 1.00 1.65  1   H  1 
HETATM 1849 O O3  . LIG_H  H  8  .   ? -6.835  -9.706  -10.633 1.00 1.86  1   H  1 
HETATM 1850 P P1  . LIG_H  H  8  .   ? -5.612  -10.464 -11.222 1.00 1.64  1   H  1 
HETATM 1851 O O4  . LIG_H  H  8  .   ? -5.439  -11.697 -10.490 1.00 1.54  1   H  1 
HETATM 1852 O O5  . LIG_H  H  8  .   ? -4.533  -9.594  -11.414 1.00 1.93  1   H  1 
HETATM 1853 O O6  . LIG_H  H  8  .   ? -6.232  -10.858 -12.606 1.00 1.79  1   H  1 
HETATM 1854 C C22 . LIG_H  H  8  .   ? -5.634  -10.944 -13.639 1.00 1.94  1   H  1 
HETATM 1855 C C23 . LIG_H  H  8  .   ? -6.186  -11.708 -14.661 1.00 1.74  1   H  1 
HETATM 1856 N N1  . LIG_H  H  8  .   ? -6.723  -11.022 -15.723 1.00 2.95  1   H  1 
HETATM 1857 C C24 . LIG_H  H  8  .   ? -6.761  -11.877 -16.847 1.00 1.72  1   H  1 
HETATM 1858 C C25 . LIG_H  H  8  .   ? -5.951  -9.875  -16.020 1.00 2.05  1   H  1 
HETATM 1859 C C26 . LIG_H  H  8  .   ? -8.050  -10.635 -15.378 1.00 1.86  1   H  1 
HETATM 1860 O O7  . LIG_H  H  8  .   ? -8.169  -6.519  -10.570 1.00 1.81  1   H  1 
HETATM 1861 C C27 . LIG_H  H  8  .   ? -9.135  -5.983  -11.183 1.00 1.87  1   H  1 
HETATM 1862 O O8  . LIG_H  H  8  .   ? -9.921  -6.651  -11.798 1.00 1.71  1   H  1 
HETATM 1863 C C28 . LIG_H  H  8  .   ? -9.253  -4.671  -11.054 1.00 1.60  1   H  1 
HETATM 1864 C C29 . LIG_H  H  8  .   ? -10.134 -3.956  -10.770 1.00 1.79  1   H  1 
HETATM 1865 C C30 . LIG_H  H  8  .   ? -10.742 -3.043  -10.489 1.00 1.75  1   H  1 
HETATM 1866 C C31 . LIG_H  H  8  .   ? -11.460 -2.217  -10.159 1.00 1.67  1   H  1 
HETATM 1867 C C32 . LIG_H  H  8  .   ? -12.093 -1.339  -9.845  1.00 1.86  1   H  1 
HETATM 1868 C C33 . LIG_H  H  8  .   ? -12.753 -0.472  -9.502  1.00 1.71  1   H  1 
HETATM 1869 C C34 . LIG_H  H  8  .   ? -13.363 0.432   -9.129  1.00 1.64  1   H  1 
HETATM 1870 C C35 . LIG_H  H  8  .   ? -13.940 1.319   -8.701  1.00 1.67  1   H  1 
HETATM 1871 C C36 . LIG_H  H  8  .   ? -14.487 2.210   -8.226  1.00 1.73  1   H  1 
HETATM 1872 C C37 . LIG_H  H  8  .   ? -15.009 3.089   -7.706  1.00 1.76  1   H  1 
HETATM 1873 C C38 . LIG_H  H  8  .   ? -15.523 3.961   -7.146  1.00 1.50  1   H  1 
HETATM 1874 C C39 . LIG_H  H  8  .   ? -16.054 4.816   -6.560  1.00 1.58  1   H  1 
HETATM 1875 C C40 . LIG_H  H  8  .   ? -16.583 5.623   -5.938  1.00 1.69  1   H  1 
HETATM 1876 C C41 . LIG_H  H  8  .   ? -17.113 6.401   -5.290  1.00 1.49  1   H  1 
HETATM 1877 C C42 . LIG_H  H  8  .   ? -17.614 7.135   -4.656  1.00 1.50  1   H  1 
HETATM 1878 C C43 . LIG_H  H  8  .   ? -18.117 7.906   -4.075  1.00 1.33  1   H  1 
HETATM 1879 C C44 . LIG_H  H  8  .   ? -18.694 8.795   -3.504  1.00 1.34  1   H  1 
HETATM 1880 C C1  . LIG_I  I  9  .   ? -12.287 5.851   3.059   1.00 2.23  1   I  1 
HETATM 1881 C C2  . LIG_I  I  9  .   ? -13.016 5.738   2.330   1.00 2.06  1   I  1 
HETATM 1882 C C3  . LIG_I  I  9  .   ? -13.063 4.944   1.537   1.00 1.91  1   I  1 
HETATM 1883 C C4  . LIG_I  I  9  .   ? -12.669 3.995   1.117   1.00 2.33  1   I  1 
HETATM 1884 C C5  . LIG_I  I  9  .   ? -12.255 3.038   0.715   1.00 2.10  1   I  1 
HETATM 1885 C C6  . LIG_I  I  9  .   ? -11.716 2.107   0.405   1.00 1.93  1   I  1 
HETATM 1886 C C7  . LIG_I  I  9  .   ? -11.152 1.221   0.093   1.00 2.00  1   I  1 
HETATM 1887 C C8  . LIG_I  I  9  .   ? -10.546 0.347   -0.210  1.00 1.94  1   I  1 
HETATM 1888 C C9  . LIG_I  I  9  .   ? -9.952  -0.506  -0.502  1.00 2.02  1   I  1 
HETATM 1889 C C10 . LIG_I  I  9  .   ? -9.313  -1.371  -0.872  1.00 2.31  1   I  1 
HETATM 1890 C C11 . LIG_I  I  9  .   ? -8.713  -2.153  -1.338  1.00 2.19  1   I  1 
HETATM 1891 C C12 . LIG_I  I  9  .   ? -8.066  -2.959  -1.805  1.00 2.55  1   I  1 
HETATM 1892 C C13 . LIG_I  I  9  .   ? -7.496  -3.710  -2.362  1.00 1.75  1   I  1 
HETATM 1893 C C14 . LIG_I  I  9  .   ? -6.837  -4.472  -2.892  1.00 1.77  1   I  1 
HETATM 1894 C C15 . LIG_I  I  9  .   ? -6.272  -5.156  -3.524  1.00 1.80  1   I  1 
HETATM 1895 C C16 . LIG_I  I  9  .   ? -5.579  -5.935  -4.039  1.00 1.88  1   I  1 
HETATM 1896 C C17 . LIG_I  I  9  .   ? -5.134  -6.594  -4.780  1.00 1.61  1   I  1 
HETATM 1897 C C18 . LIG_I  I  9  .   ? -4.307  -7.555  -5.063  1.00 1.80  1   I  1 
HETATM 1898 O O1  . LIG_I  I  9  .   ? -4.692  -8.568  -5.533  1.00 2.61  1   I  1 
HETATM 1899 O O2  . LIG_I  I  9  .   ? -3.126  -7.314  -4.760  1.00 2.43  1   I  1 
HETATM 1900 C C19 . LIG_I  I  9  .   ? -2.265  -8.293  -4.907  1.00 1.70  1   I  1 
HETATM 1901 C C20 . LIG_I  I  9  .   ? -0.980  -8.010  -4.313  1.00 1.93  1   I  1 
HETATM 1902 C C21 . LIG_I  I  9  .   ? -0.172  -9.249  -4.237  1.00 2.01  1   I  1 
HETATM 1903 O O3  . LIG_I  I  9  .   ? 0.377   -9.492  -5.417  1.00 2.33  1   I  1 
HETATM 1904 P P1  . LIG_I  I  9  .   ? 1.423   -10.625 -5.573  1.00 2.13  1   I  1 
HETATM 1905 O O4  . LIG_I  I  9  .   ? 1.580   -11.339 -4.352  1.00 2.23  1   I  1 
HETATM 1906 O O5  . LIG_I  I  9  .   ? 2.537   -10.112 -6.263  1.00 2.48  1   I  1 
HETATM 1907 O O6  . LIG_I  I  9  .   ? 0.604   -11.531 -6.568  1.00 2.35  1   I  1 
HETATM 1908 C C22 . LIG_I  I  9  .   ? 0.582   -12.806 -6.518  1.00 2.41  1   I  1 
HETATM 1909 C C23 . LIG_I  I  9  .   ? 0.225   -13.435 -7.719  1.00 2.17  1   I  1 
HETATM 1910 N N1  . LIG_I  I  9  .   ? -1.133  -13.605 -7.970  1.00 3.30  1   I  1 
HETATM 1911 C C24 . LIG_I  I  9  .   ? -1.272  -14.565 -8.993  1.00 2.16  1   I  1 
HETATM 1912 C C25 . LIG_I  I  9  .   ? -1.683  -12.383 -8.406  1.00 2.35  1   I  1 
HETATM 1913 C C26 . LIG_I  I  9  .   ? -1.803  -14.053 -6.816  1.00 2.28  1   I  1 
HETATM 1914 O O7  . LIG_I  I  9  .   ? -1.148  -7.615  -2.997  1.00 2.14  1   I  1 
HETATM 1915 C C27 . LIG_I  I  9  .   ? -0.555  -6.549  -2.661  1.00 2.38  1   I  1 
HETATM 1916 O O8  . LIG_I  I  9  .   ? 0.293   -6.037  -3.328  1.00 2.15  1   I  1 
HETATM 1917 C C28 . LIG_I  I  9  .   ? -0.976  -6.024  -1.518  1.00 1.98  1   I  1 
HETATM 1918 C C29 . LIG_I  I  9  .   ? -1.540  -5.048  -1.281  1.00 2.11  1   I  1 
HETATM 1919 C C30 . LIG_I  I  9  .   ? -2.126  -4.315  -0.660  1.00 2.17  1   I  1 
HETATM 1920 C C31 . LIG_I  I  9  .   ? -2.761  -3.477  -0.282  1.00 1.95  1   I  1 
HETATM 1921 C C32 . LIG_I  I  9  .   ? -3.368  -2.692  0.201   1.00 2.17  1   I  1 
HETATM 1922 C C33 . LIG_I  I  9  .   ? -4.005  -1.870  0.610   1.00 1.93  1   I  1 
HETATM 1923 C C34 . LIG_I  I  9  .   ? -4.658  -1.049  1.024   1.00 1.90  1   I  1 
HETATM 1924 C C35 . LIG_I  I  9  .   ? -5.314  -0.225  1.400   1.00 1.89  1   I  1 
HETATM 1925 C C36 . LIG_I  I  9  .   ? -6.002  0.605   1.781   1.00 2.07  1   I  1 
HETATM 1926 C C37 . LIG_I  I  9  .   ? -6.710  1.419   2.156   1.00 1.98  1   I  1 
HETATM 1927 C C38 . LIG_I  I  9  .   ? -7.426  2.245   2.547   1.00 1.67  1   I  1 
HETATM 1928 C C39 . LIG_I  I  9  .   ? -8.139  3.080   2.932   1.00 1.79  1   I  1 
HETATM 1929 C C40 . LIG_I  I  9  .   ? -8.853  3.903   3.315   1.00 1.94  1   I  1 
HETATM 1930 C C41 . LIG_I  I  9  .   ? -9.571  4.702   3.681   1.00 1.58  1   I  1 
HETATM 1931 C C42 . LIG_I  I  9  .   ? -10.277 5.456   4.028   1.00 1.52  1   I  1 
HETATM 1932 C C43 . LIG_I  I  9  .   ? -10.946 6.215   4.427   1.00 1.35  1   I  1 
HETATM 1933 C C44 . LIG_I  I  9  .   ? -11.638 7.056   4.934   1.00 1.39  1   I  1 
HETATM 1934 C C1  . LIG_J  J  10 .   ? -3.861  3.802   22.542  1.00 2.19  1   J  1 
HETATM 1935 C C2  . LIG_J  J  10 .   ? -4.125  2.852   22.743  1.00 2.05  1   J  1 
HETATM 1936 C C3  . LIG_J  J  10 .   ? -5.103  2.647   23.130  1.00 1.93  1   J  1 
HETATM 1937 C C4  . LIG_J  J  10 .   ? -6.011  3.082   23.496  1.00 2.33  1   J  1 
HETATM 1938 C C5  . LIG_J  J  10 .   ? -6.848  3.632   23.882  1.00 2.13  1   J  1 
HETATM 1939 C C6  . LIG_J  J  10 .   ? -7.487  4.400   24.321  1.00 1.91  1   J  1 
HETATM 1940 C C7  . LIG_J  J  10 .   ? -7.938  5.206   24.806  1.00 1.83  1   J  1 
HETATM 1941 C C8  . LIG_J  J  10 .   ? -8.206  6.096   25.324  1.00 1.72  1   J  1 
HETATM 1942 C C9  . LIG_J  J  10 .   ? -8.329  6.977   25.860  1.00 1.78  1   J  1 
HETATM 1943 C C10 . LIG_J  J  10 .   ? -8.415  7.904   26.424  1.00 1.88  1   J  1 
HETATM 1944 C C11 . LIG_J  J  10 .   ? -8.498  8.816   26.969  1.00 1.65  1   J  1 
HETATM 1945 C C12 . LIG_J  J  10 .   ? -8.667  9.742   27.510  1.00 1.74  1   J  1 
HETATM 1946 C C13 . LIG_J  J  10 .   ? -8.933  10.667  27.989  1.00 1.36  1   J  1 
HETATM 1947 C C14 . LIG_J  J  10 .   ? -9.347  11.576  28.447  1.00 1.33  1   J  1 
HETATM 1948 C C15 . LIG_J  J  10 .   ? -9.767  12.493  28.783  1.00 1.34  1   J  1 
HETATM 1949 C C16 . LIG_J  J  10 .   ? -10.325 13.356  29.234  1.00 1.30  1   J  1 
HETATM 1950 C C17 . LIG_J  J  10 .   ? -10.807 14.298  29.372  1.00 1.23  1   J  1 
HETATM 1951 C C18 . LIG_J  J  10 .   ? -11.611 14.978  30.078  1.00 1.28  1   J  1 
HETATM 1952 O O1  . LIG_J  J  10 .   ? -11.993 14.542  31.093  1.00 1.81  1   J  1 
HETATM 1953 O O2  . LIG_J  J  10 .   ? -11.951 16.045  29.601  1.00 1.67  1   J  1 
HETATM 1954 C C19 . LIG_J  J  10 .   ? -12.853 16.704  30.274  1.00 1.24  1   J  1 
HETATM 1955 C C20 . LIG_J  J  10 .   ? -13.224 17.950  29.635  1.00 1.30  1   J  1 
HETATM 1956 C C21 . LIG_J  J  10 .   ? -14.244 18.654  30.441  1.00 1.32  1   J  1 
HETATM 1957 O O3  . LIG_J  J  10 .   ? -14.125 18.285  31.708  1.00 1.41  1   J  1 
HETATM 1958 P P1  . LIG_J  J  10 .   ? -13.829 19.347  32.810  1.00 1.28  1   J  1 
HETATM 1959 O O4  . LIG_J  J  10 .   ? -13.152 20.452  32.213  1.00 1.27  1   J  1 
HETATM 1960 O O5  . LIG_J  J  10 .   ? -13.320 18.704  33.917  1.00 1.22  1   J  1 
HETATM 1961 O O6  . LIG_J  J  10 .   ? -15.298 19.777  33.056  1.00 1.37  1   J  1 
HETATM 1962 C C22 . LIG_J  J  10 .   ? -15.737 20.107  34.149  1.00 1.35  1   J  1 
HETATM 1963 C C23 . LIG_J  J  10 .   ? -16.519 21.284  34.207  1.00 1.34  1   J  1 
HETATM 1964 N N1  . LIG_J  J  10 .   ? -17.215 21.711  33.076  1.00 2.05  1   J  1 
HETATM 1965 C C24 . LIG_J  J  10 .   ? -17.932 20.653  32.468  1.00 1.42  1   J  1 
HETATM 1966 C C25 . LIG_J  J  10 .   ? -18.123 22.709  33.448  1.00 1.48  1   J  1 
HETATM 1967 C C26 . LIG_J  J  10 .   ? -16.291 22.268  32.145  1.00 1.51  1   J  1 
HETATM 1968 O O7  . LIG_J  J  10 .   ? -13.776 17.659  28.403  1.00 1.48  1   J  1 
HETATM 1969 C C27 . LIG_J  J  10 .   ? -13.242 18.231  27.419  1.00 1.43  1   J  1 
HETATM 1970 O O8  . LIG_J  J  10 .   ? -12.603 19.220  27.512  1.00 1.46  1   J  1 
HETATM 1971 C C28 . LIG_J  J  10 .   ? -13.360 17.595  26.302  1.00 1.29  1   J  1 
HETATM 1972 C C29 . LIG_J  J  10 .   ? -12.731 16.720  25.851  1.00 1.39  1   J  1 
HETATM 1973 C C30 . LIG_J  J  10 .   ? -12.262 15.865  25.348  1.00 1.35  1   J  1 
HETATM 1974 C C31 . LIG_J  J  10 .   ? -11.673 14.982  24.980  1.00 1.36  1   J  1 
HETATM 1975 C C32 . LIG_J  J  10 .   ? -11.114 14.127  24.610  1.00 1.50  1   J  1 
HETATM 1976 C C33 . LIG_J  J  10 .   ? -10.494 13.268  24.309  1.00 1.48  1   J  1 
HETATM 1977 C C34 . LIG_J  J  10 .   ? -9.853  12.426  24.013  1.00 1.49  1   J  1 
HETATM 1978 C C35 . LIG_J  J  10 .   ? -9.151  11.618  23.735  1.00 1.51  1   J  1 
HETATM 1979 C C36 . LIG_J  J  10 .   ? -8.415  10.832  23.466  1.00 1.65  1   J  1 
HETATM 1980 C C37 . LIG_J  J  10 .   ? -7.643  10.054  23.220  1.00 1.69  1   J  1 
HETATM 1981 C C38 . LIG_J  J  10 .   ? -6.861  9.273   22.997  1.00 1.52  1   J  1 
HETATM 1982 C C39 . LIG_J  J  10 .   ? -6.081  8.464   22.769  1.00 1.64  1   J  1 
HETATM 1983 C C40 . LIG_J  J  10 .   ? -5.340  7.673   22.518  1.00 1.83  1   J  1 
HETATM 1984 C C41 . LIG_J  J  10 .   ? -4.618  6.857   22.227  1.00 1.54  1   J  1 
HETATM 1985 C C42 . LIG_J  J  10 .   ? -3.944  6.094   21.931  1.00 1.51  1   J  1 
HETATM 1986 C C43 . LIG_J  J  10 .   ? -3.243  5.350   21.570  1.00 1.34  1   J  1 
HETATM 1987 C C44 . LIG_J  J  10 .   ? -2.401  4.658   21.083  1.00 1.41  1   J  1 
HETATM 1988 C C1  . LIG_K  K  11 .   ? -11.555 2.142   12.311  1.00 2.16  1   K  1 
HETATM 1989 C C2  . LIG_K  K  11 .   ? -11.319 2.219   13.289  1.00 1.98  1   K  1 
HETATM 1990 C C3  . LIG_K  K  11 .   ? -10.559 1.592   13.787  1.00 1.81  1   K  1 
HETATM 1991 C C4  . LIG_K  K  11 .   ? -9.756  0.842   13.706  1.00 2.14  1   K  1 
HETATM 1992 C C5  . LIG_K  K  11 .   ? -8.926  0.126   13.589  1.00 2.04  1   K  1 
HETATM 1993 C C6  . LIG_K  K  11 .   ? -8.108  -0.569  13.324  1.00 1.88  1   K  1 
HETATM 1994 C C7  . LIG_K  K  11 .   ? -7.298  -1.236  13.044  1.00 1.80  1   K  1 
HETATM 1995 C C8  . LIG_K  K  11 .   ? -6.496  -1.892  12.659  1.00 1.78  1   K  1 
HETATM 1996 C C9  . LIG_K  K  11 .   ? -5.703  -2.526  12.276  1.00 1.85  1   K  1 
HETATM 1997 C C10 . LIG_K  K  11 .   ? -4.888  -3.184  11.814  1.00 2.00  1   K  1 
HETATM 1998 C C11 . LIG_K  K  11 .   ? -4.098  -3.785  11.345  1.00 1.88  1   K  1 
HETATM 1999 C C12 . LIG_K  K  11 .   ? -3.306  -4.415  10.832  1.00 1.98  1   K  1 
HETATM 2000 C C13 . LIG_K  K  11 .   ? -2.526  -4.990  10.307  1.00 1.55  1   K  1 
HETATM 2001 C C14 . LIG_K  K  11 .   ? -1.788  -5.666  9.751   1.00 1.53  1   K  1 
HETATM 2002 C C15 . LIG_K  K  11 .   ? -1.088  -6.278  9.212   1.00 1.47  1   K  1 
HETATM 2003 C C16 . LIG_K  K  11 .   ? -0.408  -7.022  8.630   1.00 1.47  1   K  1 
HETATM 2004 C C17 . LIG_K  K  11 .   ? 0.203   -7.681  8.159   1.00 1.38  1   K  1 
HETATM 2005 C C18 . LIG_K  K  11 .   ? 0.860   -8.576  7.510   1.00 1.47  1   K  1 
HETATM 2006 O O1  . LIG_K  K  11 .   ? 2.014   -8.441  7.319   1.00 2.17  1   K  1 
HETATM 2007 O O2  . LIG_K  K  11 .   ? 0.182   -9.538  7.131   1.00 1.91  1   K  1 
HETATM 2008 C C19 . LIG_K  K  11 .   ? 0.803   -10.445 6.420   1.00 1.36  1   K  1 
HETATM 2009 C C20 . LIG_K  K  11 .   ? -0.039  -11.557 6.048   1.00 1.41  1   K  1 
HETATM 2010 C C21 . LIG_K  K  11 .   ? 0.623   -12.342 4.979   1.00 1.48  1   K  1 
HETATM 2011 O O3  . LIG_K  K  11 .   ? 1.390   -13.308 5.501   1.00 1.56  1   K  1 
HETATM 2012 P P1  . LIG_K  K  11 .   ? 2.117   -14.285 4.555   1.00 1.38  1   K  1 
HETATM 2013 O O4  . LIG_K  K  11 .   ? 1.393   -14.403 3.342   1.00 1.45  1   K  1 
HETATM 2014 O O5  . LIG_K  K  11 .   ? 2.497   -15.430 5.273   1.00 1.44  1   K  1 
HETATM 2015 O O6  . LIG_K  K  11 .   ? 3.394   -13.438 4.304   1.00 1.63  1   K  1 
HETATM 2016 C C22 . LIG_K  K  11 .   ? 4.123   -13.419 3.277   1.00 1.59  1   K  1 
HETATM 2017 C C23 . LIG_K  K  11 .   ? 4.387   -12.103 2.906   1.00 1.61  1   K  1 
HETATM 2018 N N1  . LIG_K  K  11 .   ? 5.688   -11.686 2.945   1.00 2.77  1   K  1 
HETATM 2019 C C24 . LIG_K  K  11 .   ? 6.325   -12.048 4.159   1.00 1.72  1   K  1 
HETATM 2020 C C25 . LIG_K  K  11 .   ? 6.382   -12.246 1.848   1.00 1.85  1   K  1 
HETATM 2021 C C26 . LIG_K  K  11 .   ? 5.668   -10.300 2.843   1.00 1.99  1   K  1 
HETATM 2022 O O7  . LIG_K  K  11 .   ? -1.230  -11.097 5.521   1.00 1.65  1   K  1 
HETATM 2023 C C27 . LIG_K  K  11 .   ? -2.284  -11.720 5.880   1.00 1.59  1   K  1 
HETATM 2024 O O8  . LIG_K  K  11 .   ? -2.261  -12.756 6.478   1.00 1.62  1   K  1 
HETATM 2025 C C28 . LIG_K  K  11 .   ? -3.395  -11.095 5.608   1.00 1.46  1   K  1 
HETATM 2026 C C29 . LIG_K  K  11 .   ? -3.887  -10.180 6.032   1.00 1.57  1   K  1 
HETATM 2027 C C30 . LIG_K  K  11 .   ? -4.458  -9.290  6.322   1.00 1.53  1   K  1 
HETATM 2028 C C31 . LIG_K  K  11 .   ? -4.918  -8.359  6.695   1.00 1.53  1   K  1 
HETATM 2029 C C32 . LIG_K  K  11 .   ? -5.428  -7.460  7.025   1.00 1.69  1   K  1 
HETATM 2030 C C33 . LIG_K  K  11 .   ? -5.927  -6.538  7.377   1.00 1.59  1   K  1 
HETATM 2031 C C34 . LIG_K  K  11 .   ? -6.469  -5.634  7.738   1.00 1.59  1   K  1 
HETATM 2032 C C35 . LIG_K  K  11 .   ? -7.044  -4.748  8.098   1.00 1.61  1   K  1 
HETATM 2033 C C36 . LIG_K  K  11 .   ? -7.653  -3.862  8.442   1.00 1.74  1   K  1 
HETATM 2034 C C37 . LIG_K  K  11 .   ? -8.286  -2.991  8.778   1.00 1.78  1   K  1 
HETATM 2035 C C38 . LIG_K  K  11 .   ? -8.940  -2.117  9.096   1.00 1.54  1   K  1 
HETATM 2036 C C39 . LIG_K  K  11 .   ? -9.603  -1.241  9.404   1.00 1.62  1   K  1 
HETATM 2037 C C40 . LIG_K  K  11 .   ? -10.269 -0.393  9.721   1.00 1.79  1   K  1 
HETATM 2038 C C41 . LIG_K  K  11 .   ? -10.946 0.437   10.049  1.00 1.47  1   K  1 
HETATM 2039 C C42 . LIG_K  K  11 .   ? -11.627 1.200   10.353  1.00 1.42  1   K  1 
HETATM 2040 C C43 . LIG_K  K  11 .   ? -12.366 1.938   10.614  1.00 1.29  1   K  1 
HETATM 2041 C C44 . LIG_K  K  11 .   ? -13.222 2.705   10.784  1.00 1.41  1   K  1 
HETATM 2042 C C1  . LIG_L  L  12 .   ? -18.212 5.588   3.204   1.00 2.06  1   L  1 
HETATM 2043 C C2  . LIG_L  L  12 .   ? -18.822 4.781   3.407   1.00 1.98  1   L  1 
HETATM 2044 C C3  . LIG_L  L  12 .   ? -19.611 4.719   4.166   1.00 1.89  1   L  1 
HETATM 2045 C C4  . LIG_L  L  12 .   ? -20.169 5.079   4.998   1.00 2.23  1   L  1 
HETATM 2046 C C5  . LIG_L  L  12 .   ? -20.792 5.407   5.828   1.00 2.02  1   L  1 
HETATM 2047 C C6  . LIG_L  L  12 .   ? -21.352 5.821   6.661   1.00 1.83  1   L  1 
HETATM 2048 C C7  . LIG_L  L  12 .   ? -21.871 6.258   7.484   1.00 1.87  1   L  1 
HETATM 2049 C C8  . LIG_L  L  12 .   ? -22.341 6.810   8.264   1.00 1.77  1   L  1 
HETATM 2050 C C9  . LIG_L  L  12 .   ? -22.763 7.432   8.998   1.00 1.79  1   L  1 
HETATM 2051 C C10 . LIG_L  L  12 .   ? -23.194 8.167   9.684   1.00 1.89  1   L  1 
HETATM 2052 C C11 . LIG_L  L  12 .   ? -23.643 8.940   10.282  1.00 1.72  1   L  1 
HETATM 2053 C C12 . LIG_L  L  12 .   ? -24.166 9.743   10.810  1.00 1.74  1   L  1 
HETATM 2054 C C13 . LIG_L  L  12 .   ? -24.732 10.527  11.288  1.00 1.39  1   L  1 
HETATM 2055 C C14 . LIG_L  L  12 .   ? -25.378 11.322  11.687  1.00 1.34  1   L  1 
HETATM 2056 C C15 . LIG_L  L  12 .   ? -26.041 12.056  12.075  1.00 1.32  1   L  1 
HETATM 2057 C C16 . LIG_L  L  12 .   ? -26.793 12.843  12.378  1.00 1.31  1   L  1 
HETATM 2058 C C17 . LIG_L  L  12 .   ? -27.497 13.501  12.723  1.00 1.26  1   L  1 
HETATM 2059 C C18 . LIG_L  L  12 .   ? -28.419 14.373  12.825  1.00 1.28  1   L  1 
HETATM 2060 O O1  . LIG_L  L  12 .   ? -29.548 14.086  12.912  1.00 1.87  1   L  1 
HETATM 2061 O O2  . LIG_L  L  12 .   ? -27.979 15.492  12.773  1.00 1.77  1   L  1 
HETATM 2062 C C19 . LIG_L  L  12 .   ? -28.851 16.452  12.711  1.00 1.27  1   L  1 
HETATM 2063 C C20 . LIG_L  L  12 .   ? -28.192 17.740  12.595  1.00 1.30  1   L  1 
HETATM 2064 C C21 . LIG_L  L  12 .   ? -29.182 18.820  12.456  1.00 1.37  1   L  1 
HETATM 2065 O O3  . LIG_L  L  12 .   ? -29.666 19.122  13.631  1.00 1.44  1   L  1 
HETATM 2066 P P1  . LIG_L  L  12 .   ? -30.577 20.357  13.750  1.00 1.29  1   L  1 
HETATM 2067 O O4  . LIG_L  L  12 .   ? -31.155 20.628  12.481  1.00 1.28  1   L  1 
HETATM 2068 O O5  . LIG_L  L  12 .   ? -29.906 21.342  14.451  1.00 1.25  1   L  1 
HETATM 2069 O O6  . LIG_L  L  12 .   ? -31.626 19.718  14.649  1.00 1.38  1   L  1 
HETATM 2070 C C22 . LIG_L  L  12 .   ? -32.679 20.280  14.971  1.00 1.37  1   L  1 
HETATM 2071 C C23 . LIG_L  L  12 .   ? -33.635 19.460  15.540  1.00 1.35  1   L  1 
HETATM 2072 N N1  . LIG_L  L  12 .   ? -34.341 20.028  16.570  1.00 2.03  1   L  1 
HETATM 2073 C C24 . LIG_L  L  12 .   ? -33.485 20.235  17.672  1.00 1.42  1   L  1 
HETATM 2074 C C25 . LIG_L  L  12 .   ? -34.904 21.263  16.180  1.00 1.47  1   L  1 
HETATM 2075 C C26 . LIG_L  L  12 .   ? -35.343 19.150  16.915  1.00 1.48  1   L  1 
HETATM 2076 O O7  . LIG_L  L  12 .   ? -27.424 17.779  11.456  1.00 1.49  1   L  1 
HETATM 2077 C C27 . LIG_L  L  12 .   ? -26.186 17.838  11.644  1.00 1.54  1   L  1 
HETATM 2078 O O8  . LIG_L  L  12 .   ? -25.700 17.936  12.722  1.00 1.58  1   L  1 
HETATM 2079 C C28 . LIG_L  L  12 .   ? -25.470 17.680  10.593  1.00 1.32  1   L  1 
HETATM 2080 C C29 . LIG_L  L  12 .   ? -24.718 16.867  10.313  1.00 1.43  1   L  1 
HETATM 2081 C C30 . LIG_L  L  12 .   ? -24.132 16.180  9.733   1.00 1.38  1   L  1 
HETATM 2082 C C31 . LIG_L  L  12 .   ? -23.623 15.341  9.268   1.00 1.38  1   L  1 
HETATM 2083 C C32 . LIG_L  L  12 .   ? -23.190 14.539  8.694   1.00 1.52  1   L  1 
HETATM 2084 C C33 . LIG_L  L  12 .   ? -22.805 13.692  8.154   1.00 1.47  1   L  1 
HETATM 2085 C C34 . LIG_L  L  12 .   ? -22.402 12.873  7.558   1.00 1.50  1   L  1 
HETATM 2086 C C35 . LIG_L  L  12 .   ? -21.983 12.081  6.960   1.00 1.55  1   L  1 
HETATM 2087 C C36 . LIG_L  L  12 .   ? -21.494 11.340  6.329   1.00 1.69  1   L  1 
HETATM 2088 C C37 . LIG_L  L  12 .   ? -20.916 10.660  5.713   1.00 1.67  1   L  1 
HETATM 2089 C C38 . LIG_L  L  12 .   ? -20.288 10.019  5.099   1.00 1.52  1   L  1 
HETATM 2090 C C39 . LIG_L  L  12 .   ? -19.624 9.387   4.503   1.00 1.61  1   L  1 
HETATM 2091 C C40 . LIG_L  L  12 .   ? -18.944 8.775   3.936   1.00 1.73  1   L  1 
HETATM 2092 C C41 . LIG_L  L  12 .   ? -18.236 8.150   3.379   1.00 1.45  1   L  1 
HETATM 2093 C C42 . LIG_L  L  12 .   ? -17.536 7.550   2.896   1.00 1.42  1   L  1 
HETATM 2094 C C43 . LIG_L  L  12 .   ? -16.782 6.982   2.409   1.00 1.29  1   L  1 
HETATM 2095 C C44 . LIG_L  L  12 .   ? -15.920 6.449   1.913   1.00 1.35  1   L  1 
HETATM 2096 C C1  . LIG_M  M  13 .   ? -10.167 8.323   8.293   1.00 2.22  1   M  1 
HETATM 2097 C C2  . LIG_M  M  13 .   ? -9.486  9.012   7.823   1.00 2.01  1   M  1 
HETATM 2098 C C3  . LIG_M  M  13 .   ? -8.439  8.855   7.414   1.00 1.88  1   M  1 
HETATM 2099 C C4  . LIG_M  M  13 .   ? -7.528  8.221   7.252   1.00 2.22  1   M  1 
HETATM 2100 C C5  . LIG_M  M  13 .   ? -6.609  7.609   7.056   1.00 2.15  1   M  1 
HETATM 2101 C C6  . LIG_M  M  13 .   ? -5.737  6.904   6.923   1.00 2.07  1   M  1 
HETATM 2102 C C7  . LIG_M  M  13 .   ? -4.895  6.178   6.792   1.00 2.03  1   M  1 
HETATM 2103 C C8  . LIG_M  M  13 .   ? -4.079  5.415   6.663   1.00 2.09  1   M  1 
HETATM 2104 C C9  . LIG_M  M  13 .   ? -3.300  4.620   6.515   1.00 2.16  1   M  1 
HETATM 2105 C C10 . LIG_M  M  13 .   ? -2.547  3.774   6.311   1.00 2.53  1   M  1 
HETATM 2106 C C11 . LIG_M  M  13 .   ? -1.835  2.933   6.052   1.00 2.42  1   M  1 
HETATM 2107 C C12 . LIG_M  M  13 .   ? -1.161  2.073   5.741   1.00 2.91  1   M  1 
HETATM 2108 C C13 . LIG_M  M  13 .   ? -0.486  1.252   5.363   1.00 1.91  1   M  1 
HETATM 2109 C C14 . LIG_M  M  13 .   ? 0.090   0.398   4.889   1.00 1.90  1   M  1 
HETATM 2110 C C15 . LIG_M  M  13 .   ? 0.715   -0.380  4.410   1.00 1.86  1   M  1 
HETATM 2111 C C16 . LIG_M  M  13 .   ? 1.162   -1.234  3.778   1.00 1.97  1   M  1 
HETATM 2112 C C17 . LIG_M  M  13 .   ? 1.815   -1.963  3.301   1.00 1.61  1   M  1 
HETATM 2113 C C18 . LIG_M  M  13 .   ? 1.954   -2.885  2.366   1.00 1.81  1   M  1 
HETATM 2114 O O1  . LIG_M  M  13 .   ? 1.839   -2.602  1.230   1.00 2.75  1   M  1 
HETATM 2115 O O2  . LIG_M  M  13 .   ? 2.181   -4.042  2.776   1.00 2.39  1   M  1 
HETATM 2116 C C19 . LIG_M  M  13 .   ? 2.219   -5.020  1.866   1.00 1.67  1   M  1 
HETATM 2117 C C20 . LIG_M  M  13 .   ? 1.716   -6.276  2.403   1.00 1.86  1   M  1 
HETATM 2118 C C21 . LIG_M  M  13 .   ? 1.821   -7.376  1.418   1.00 1.81  1   M  1 
HETATM 2119 O O3  . LIG_M  M  13 .   ? 3.064   -7.674  1.159   1.00 2.04  1   M  1 
HETATM 2120 P P1  . LIG_M  M  13 .   ? 3.282   -8.841  0.187   1.00 1.92  1   M  1 
HETATM 2121 O O4  . LIG_M  M  13 .   ? 2.685   -8.507  -1.055  1.00 2.00  1   M  1 
HETATM 2122 O O5  . LIG_M  M  13 .   ? 3.000   -10.072 0.776   1.00 2.08  1   M  1 
HETATM 2123 O O6  . LIG_M  M  13 .   ? 4.801   -8.687  0.082   1.00 2.16  1   M  1 
HETATM 2124 C C22 . LIG_M  M  13 .   ? 5.436   -8.886  -0.939  1.00 2.45  1   M  1 
HETATM 2125 C C23 . LIG_M  M  13 .   ? 6.792   -8.765  -0.762  1.00 2.44  1   M  1 
HETATM 2126 N N1  . LIG_M  M  13 .   ? 7.487   -8.542  -1.916  1.00 3.95  1   M  1 
HETATM 2127 C C24 . LIG_M  M  13 .   ? 7.094   -9.467  -2.922  1.00 2.92  1   M  1 
HETATM 2128 C C25 . LIG_M  M  13 .   ? 8.853   -8.738  -1.637  1.00 2.85  1   M  1 
HETATM 2129 C C26 . LIG_M  M  13 .   ? 7.234   -7.219  -2.341  1.00 3.22  1   M  1 
HETATM 2130 O O7  . LIG_M  M  13 .   ? 0.354   -6.166  2.619   1.00 2.01  1   M  1 
HETATM 2131 C C27 . LIG_M  M  13 .   ? -0.048  -6.305  3.810   1.00 1.99  1   M  1 
HETATM 2132 O O8  . LIG_M  M  13 .   ? 0.703   -6.596  4.706   1.00 1.95  1   M  1 
HETATM 2133 C C28 . LIG_M  M  13 .   ? -1.334  -6.025  3.995   1.00 1.65  1   M  1 
HETATM 2134 C C29 . LIG_M  M  13 .   ? -1.835  -5.064  4.449   1.00 1.75  1   M  1 
HETATM 2135 C C30 . LIG_M  M  13 .   ? -2.623  -4.307  4.726   1.00 1.71  1   M  1 
HETATM 2136 C C31 . LIG_M  M  13 .   ? -3.234  -3.406  5.048   1.00 1.65  1   M  1 
HETATM 2137 C C32 . LIG_M  M  13 .   ? -3.926  -2.570  5.311   1.00 1.86  1   M  1 
HETATM 2138 C C33 . LIG_M  M  13 .   ? -4.589  -1.694  5.583   1.00 1.71  1   M  1 
HETATM 2139 C C34 . LIG_M  M  13 .   ? -5.284  -0.829  5.871   1.00 1.66  1   M  1 
HETATM 2140 C C35 . LIG_M  M  13 .   ? -5.970  0.031   6.184   1.00 1.67  1   M  1 
HETATM 2141 C C36 . LIG_M  M  13 .   ? -6.672  0.885   6.517   1.00 1.83  1   M  1 
HETATM 2142 C C37 . LIG_M  M  13 .   ? -7.377  1.738   6.862   1.00 1.80  1   M  1 
HETATM 2143 C C38 . LIG_M  M  13 .   ? -8.097  2.584   7.215   1.00 1.58  1   M  1 
HETATM 2144 C C39 . LIG_M  M  13 .   ? -8.823  3.439   7.573   1.00 1.69  1   M  1 
HETATM 2145 C C40 . LIG_M  M  13 .   ? -9.505  4.288   7.933   1.00 1.85  1   M  1 
HETATM 2146 C C41 . LIG_M  M  13 .   ? -10.172 5.146   8.282   1.00 1.55  1   M  1 
HETATM 2147 C C42 . LIG_M  M  13 .   ? -10.823 5.952   8.639   1.00 1.47  1   M  1 
HETATM 2148 C C43 . LIG_M  M  13 .   ? -11.521 6.693   9.036   1.00 1.31  1   M  1 
HETATM 2149 C C44 . LIG_M  M  13 .   ? -12.340 7.395   9.508   1.00 1.36  1   M  1 
HETATM 2150 C C1  . LIG_N  N  14 .   ? -9.684  14.256  5.739   1.00 2.52  1   N  1 
HETATM 2151 C C2  . LIG_N  N  14 .   ? -9.695  13.328  5.362   1.00 2.43  1   N  1 
HETATM 2152 C C3  . LIG_N  N  14 .   ? -9.403  12.406  4.831   1.00 2.23  1   N  1 
HETATM 2153 C C4  . LIG_N  N  14 .   ? -9.021  11.530  4.290   1.00 2.65  1   N  1 
HETATM 2154 C C5  . LIG_N  N  14 .   ? -8.572  10.673  3.728   1.00 2.48  1   N  1 
HETATM 2155 C C6  . LIG_N  N  14 .   ? -8.042  9.826   3.200   1.00 2.29  1   N  1 
HETATM 2156 C C7  . LIG_N  N  14 .   ? -7.421  8.990   2.781   1.00 2.36  1   N  1 
HETATM 2157 C C8  . LIG_N  N  14 .   ? -6.718  8.162   2.461   1.00 2.41  1   N  1 
HETATM 2158 C C9  . LIG_N  N  14 .   ? -5.971  7.342   2.255   1.00 2.78  1   N  1 
HETATM 2159 C C10 . LIG_N  N  14 .   ? -5.146  6.538   2.081   1.00 3.19  1   N  1 
HETATM 2160 C C11 . LIG_N  N  14 .   ? -4.326  5.758   1.956   1.00 3.18  1   N  1 
HETATM 2161 C C12 . LIG_N  N  14 .   ? -3.462  5.008   1.803   1.00 3.94  1   N  1 
HETATM 2162 C C13 . LIG_N  N  14 .   ? -2.607  4.255   1.701   1.00 2.61  1   N  1 
HETATM 2163 C C14 . LIG_N  N  14 .   ? -1.688  3.605   1.518   1.00 2.65  1   N  1 
HETATM 2164 C C15 . LIG_N  N  14 .   ? -0.786  2.956   1.396   1.00 2.89  1   N  1 
HETATM 2165 C C16 . LIG_N  N  14 .   ? 0.275   2.528   1.106   1.00 3.02  1   N  1 
HETATM 2166 C C17 . LIG_N  N  14 .   ? 1.189   1.897   1.038   1.00 2.35  1   N  1 
HETATM 2167 C C18 . LIG_N  N  14 .   ? 2.411   1.787   0.536   1.00 2.77  1   N  1 
HETATM 2168 O O1  . LIG_N  N  14 .   ? 3.240   1.133   1.082   1.00 4.07  1   N  1 
HETATM 2169 O O2  . LIG_N  N  14 .   ? 2.598   2.428   -0.511  1.00 3.70  1   N  1 
HETATM 2170 C C19 . LIG_N  N  14 .   ? 3.830   2.540   -0.993  1.00 3.10  1   N  1 
HETATM 2171 C C20 . LIG_N  N  14 .   ? 3.892   3.507   -2.082  1.00 5.31  1   N  1 
HETATM 2172 C C21 . LIG_N  N  14 .   ? 5.300   3.853   -2.431  1.00 4.53  1   N  1 
HETATM 2173 O O3  . LIG_N  N  14 .   ? 6.029   2.786   -2.699  1.00 5.43  1   N  1 
HETATM 2174 P P1  . LIG_N  N  14 .   ? 7.344   2.953   -3.475  1.00 4.95  1   N  1 
HETATM 2175 O O4  . LIG_N  N  14 .   ? 8.076   1.716   -3.336  1.00 5.01  1   N  1 
HETATM 2176 O O5  . LIG_N  N  14 .   ? 7.991   4.170   -3.212  1.00 5.76  1   N  1 
HETATM 2177 O O6  . LIG_N  N  14 .   ? 6.760   3.067   -4.916  1.00 5.11  1   N  1 
HETATM 2178 C C22 . LIG_N  N  14 .   ? 6.665   2.166   -5.781  1.00 6.70  1   N  1 
HETATM 2179 C C23 . LIG_N  N  14 .   ? 5.649   2.475   -6.703  1.00 6.68  1   N  1 
HETATM 2180 N N1  . LIG_N  N  14 .   ? 4.744   1.460   -6.966  1.00 7.79  1   N  1 
HETATM 2181 C C24 . LIG_N  N  14 .   ? 4.105   1.039   -5.781  1.00 6.00  1   N  1 
HETATM 2182 C C25 . LIG_N  N  14 .   ? 3.800   1.965   -7.862  1.00 5.93  1   N  1 
HETATM 2183 C C26 . LIG_N  N  14 .   ? 5.432   0.365   -7.535  1.00 6.61  1   N  1 
HETATM 2184 O O7  . LIG_N  N  14 .   ? 3.314   4.692   -1.668  1.00 4.32  1   N  1 
HETATM 2185 C C27 . LIG_N  N  14 .   ? 2.377   5.144   -2.394  1.00 5.73  1   N  1 
HETATM 2186 O O8  . LIG_N  N  14 .   ? 2.110   4.666   -3.463  1.00 3.79  1   N  1 
HETATM 2187 C C28 . LIG_N  N  14 .   ? 1.727   6.159   -1.872  1.00 4.43  1   N  1 
HETATM 2188 C C29 . LIG_N  N  14 .   ? 0.829   6.792   -1.767  1.00 4.88  1   N  1 
HETATM 2189 C C30 . LIG_N  N  14 .   ? 0.103   7.616   -1.390  1.00 4.79  1   N  1 
HETATM 2190 C C31 . LIG_N  N  14 .   ? -0.630  8.397   -1.054  1.00 3.70  1   N  1 
HETATM 2191 C C32 . LIG_N  N  14 .   ? -1.308  9.202   -0.615  1.00 4.65  1   N  1 
HETATM 2192 C C33 . LIG_N  N  14 .   ? -1.965  9.996   -0.131  1.00 3.50  1   N  1 
HETATM 2193 C C34 . LIG_N  N  14 .   ? -2.593  10.823  0.391   1.00 3.13  1   N  1 
HETATM 2194 C C35 . LIG_N  N  14 .   ? -3.218  11.627  0.922   1.00 3.06  1   N  1 
HETATM 2195 C C36 . LIG_N  N  14 .   ? -3.868  12.408  1.483   1.00 3.42  1   N  1 
HETATM 2196 C C37 . LIG_N  N  14 .   ? -4.549  13.148  2.062   1.00 3.17  1   N  1 
HETATM 2197 C C38 . LIG_N  N  14 .   ? -5.252  13.830  2.679   1.00 2.26  1   N  1 
HETATM 2198 C C39 . LIG_N  N  14 .   ? -5.995  14.442  3.324   1.00 2.31  1   N  1 
HETATM 2199 C C40 . LIG_N  N  14 .   ? -6.759  14.943  4.007   1.00 2.34  1   N  1 
HETATM 2200 C C41 . LIG_N  N  14 .   ? -7.548  15.383  4.713   1.00 1.80  1   N  1 
HETATM 2201 C C42 . LIG_N  N  14 .   ? -8.307  15.720  5.435   1.00 1.72  1   N  1 
HETATM 2202 C C43 . LIG_N  N  14 .   ? -9.025  16.082  6.187   1.00 1.39  1   N  1 
HETATM 2203 C C44 . LIG_N  N  14 .   ? -9.767  16.451  6.998   1.00 1.44  1   N  1 
HETATM 2204 C C1  . LIG_O  O  15 .   ? -14.057 -1.104  23.694  1.00 2.09  1   O  1 
HETATM 2205 C C2  . LIG_O  O  15 .   ? -14.220 -1.451  22.830  1.00 2.09  1   O  1 
HETATM 2206 C C3  . LIG_O  O  15 .   ? -13.749 -2.256  22.237  1.00 2.06  1   O  1 
HETATM 2207 C C4  . LIG_O  O  15 .   ? -13.052 -3.050  22.005  1.00 2.37  1   O  1 
HETATM 2208 C C5  . LIG_O  O  15 .   ? -12.326 -3.851  21.728  1.00 2.03  1   O  1 
HETATM 2209 C C6  . LIG_O  O  15 .   ? -11.548 -4.610  21.503  1.00 1.80  1   O  1 
HETATM 2210 C C7  . LIG_O  O  15 .   ? -10.769 -5.363  21.270  1.00 1.79  1   O  1 
HETATM 2211 C C8  . LIG_O  O  15 .   ? -9.982  -6.123  21.050  1.00 1.68  1   O  1 
HETATM 2212 C C9  . LIG_O  O  15 .   ? -9.243  -6.897  20.817  1.00 1.69  1   O  1 
HETATM 2213 C C10 . LIG_O  O  15 .   ? -8.504  -7.730  20.549  1.00 1.84  1   O  1 
HETATM 2214 C C11 . LIG_O  O  15 .   ? -7.851  -8.572  20.243  1.00 1.69  1   O  1 
HETATM 2215 C C12 . LIG_O  O  15 .   ? -7.196  -9.458  19.931  1.00 1.72  1   O  1 
HETATM 2216 C C13 . LIG_O  O  15 .   ? -6.603  -10.336 19.566  1.00 1.38  1   O  1 
HETATM 2217 C C14 . LIG_O  O  15 .   ? -5.963  -11.257 19.313  1.00 1.35  1   O  1 
HETATM 2218 C C15 . LIG_O  O  15 .   ? -5.455  -12.169 18.947  1.00 1.32  1   O  1 
HETATM 2219 C C16 . LIG_O  O  15 .   ? -4.803  -13.142 18.820  1.00 1.33  1   O  1 
HETATM 2220 C C17 . LIG_O  O  15 .   ? -4.408  -14.080 18.374  1.00 1.26  1   O  1 
HETATM 2221 C C18 . LIG_O  O  15 .   ? -3.631  -15.127 18.525  1.00 1.29  1   O  1 
HETATM 2222 O O1  . LIG_O  O  15 .   ? -3.976  -16.193 18.165  1.00 1.72  1   O  1 
HETATM 2223 O O2  . LIG_O  O  15 .   ? -2.546  -14.876 19.070  1.00 1.68  1   O  1 
HETATM 2224 C C19 . LIG_O  O  15 .   ? -1.804  -15.890 19.491  1.00 1.24  1   O  1 
HETATM 2225 C C20 . LIG_O  O  15 .   ? -0.816  -15.448 20.493  1.00 1.28  1   O  1 
HETATM 2226 C C21 . LIG_O  O  15 .   ? -0.108  -16.625 21.073  1.00 1.32  1   O  1 
HETATM 2227 O O3  . LIG_O  O  15 .   ? 0.456   -17.311 20.065  1.00 1.39  1   O  1 
HETATM 2228 P P1  . LIG_O  O  15 .   ? 1.220   -18.605 20.345  1.00 1.19  1   O  1 
HETATM 2229 O O4  . LIG_O  O  15 .   ? 1.746   -19.066 19.088  1.00 1.19  1   O  1 
HETATM 2230 O O5  . LIG_O  O  15 .   ? 0.498   -19.473 21.164  1.00 1.20  1   O  1 
HETATM 2231 O O6  . LIG_O  O  15 .   ? 2.392   -17.985 21.161  1.00 1.32  1   O  1 
HETATM 2232 C C22 . LIG_O  O  15 .   ? 3.416   -18.621 21.487  1.00 1.32  1   O  1 
HETATM 2233 C C23 . LIG_O  O  15 .   ? 4.459   -17.849 21.965  1.00 1.29  1   O  1 
HETATM 2234 N N1  . LIG_O  O  15 .   ? 5.483   -18.586 22.516  1.00 1.88  1   O  1 
HETATM 2235 C C24 . LIG_O  O  15 .   ? 6.543   -17.723 22.821  1.00 1.30  1   O  1 
HETATM 2236 C C25 . LIG_O  O  15 .   ? 5.933   -19.559 21.584  1.00 1.36  1   O  1 
HETATM 2237 C C26 . LIG_O  O  15 .   ? 5.017   -19.202 23.702  1.00 1.38  1   O  1 
HETATM 2238 O O7  . LIG_O  O  15 .   ? -1.486  -14.822 21.531  1.00 1.50  1   O  1 
HETATM 2239 C C27 . LIG_O  O  15 .   ? -1.292  -13.572 21.619  1.00 1.46  1   O  1 
HETATM 2240 O O8  . LIG_O  O  15 .   ? -0.392  -13.024 21.046  1.00 1.50  1   O  1 
HETATM 2241 C C28 . LIG_O  O  15 .   ? -2.170  -12.916 22.351  1.00 1.32  1   O  1 
HETATM 2242 C C29 . LIG_O  O  15 .   ? -2.514  -11.804 22.424  1.00 1.44  1   O  1 
HETATM 2243 C C30 . LIG_O  O  15 .   ? -3.148  -10.931 22.780  1.00 1.44  1   O  1 
HETATM 2244 C C31 . LIG_O  O  15 .   ? -3.655  -9.952  23.032  1.00 1.42  1   O  1 
HETATM 2245 C C32 . LIG_O  O  15 .   ? -4.240  -9.052  23.368  1.00 1.58  1   O  1 
HETATM 2246 C C33 . LIG_O  O  15 .   ? -4.839  -8.142  23.679  1.00 1.51  1   O  1 
HETATM 2247 C C34 . LIG_O  O  15 .   ? -5.506  -7.271  24.000  1.00 1.50  1   O  1 
HETATM 2248 C C35 . LIG_O  O  15 .   ? -6.210  -6.423  24.302  1.00 1.56  1   O  1 
HETATM 2249 C C36 . LIG_O  O  15 .   ? -6.979  -5.609  24.588  1.00 1.66  1   O  1 
HETATM 2250 C C37 . LIG_O  O  15 .   ? -7.803  -4.841  24.852  1.00 1.69  1   O  1 
HETATM 2251 C C38 . LIG_O  O  15 .   ? -8.684  -4.105  25.071  1.00 1.51  1   O  1 
HETATM 2252 C C39 . LIG_O  O  15 .   ? -9.598  -3.397  25.235  1.00 1.69  1   O  1 
HETATM 2253 C C40 . LIG_O  O  15 .   ? -10.520 -2.725  25.351  1.00 1.80  1   O  1 
HETATM 2254 C C41 . LIG_O  O  15 .   ? -11.458 -2.070  25.411  1.00 1.51  1   O  1 
HETATM 2255 C C42 . LIG_O  O  15 .   ? -12.372 -1.452  25.455  1.00 1.55  1   O  1 
HETATM 2256 C C43 . LIG_O  O  15 .   ? -13.263 -0.814  25.554  1.00 1.31  1   O  1 
HETATM 2257 C C44 . LIG_O  O  15 .   ? -14.211 -0.100  25.749  1.00 1.40  1   O  1 
HETATM 2258 C C1  . LIG_P  P  16 .   ? -29.242 -6.544  11.415  1.00 2.09  1   P  1 
HETATM 2259 C C2  . LIG_P  P  16 .   ? -28.928 -6.505  12.475  1.00 2.20  1   P  1 
HETATM 2260 C C3  . LIG_P  P  16 .   ? -28.214 -7.179  13.052  1.00 2.10  1   P  1 
HETATM 2261 C C4  . LIG_P  P  16 .   ? -27.587 -8.101  13.059  1.00 2.45  1   P  1 
HETATM 2262 C C5  . LIG_P  P  16 .   ? -26.959 -9.010  13.023  1.00 1.98  1   P  1 
HETATM 2263 C C6  . LIG_P  P  16 .   ? -26.478 -9.960  12.695  1.00 1.82  1   P  1 
HETATM 2264 C C7  . LIG_P  P  16 .   ? -26.177 -10.870 12.211  1.00 1.70  1   P  1 
HETATM 2265 C C8  . LIG_P  P  16 .   ? -26.000 -11.768 11.615  1.00 1.65  1   P  1 
HETATM 2266 C C9  . LIG_P  P  16 .   ? -25.902 -12.680 11.068  1.00 1.66  1   P  1 
HETATM 2267 C C10 . LIG_P  P  16 .   ? -25.827 -13.661 10.543  1.00 1.71  1   P  1 
HETATM 2268 C C11 . LIG_P  P  16 .   ? -25.758 -14.667 10.143  1.00 1.62  1   P  1 
HETATM 2269 C C12 . LIG_P  P  16 .   ? -25.586 -15.727 9.891   1.00 1.62  1   P  1 
HETATM 2270 C C13 . LIG_P  P  16 .   ? -25.371 -16.786 9.800   1.00 1.35  1   P  1 
HETATM 2271 C C14 . LIG_P  P  16 .   ? -25.038 -17.847 9.726   1.00 1.31  1   P  1 
HETATM 2272 C C15 . LIG_P  P  16 .   ? -24.726 -18.888 9.783   1.00 1.29  1   P  1 
HETATM 2273 C C16 . LIG_P  P  16 .   ? -24.245 -19.909 9.732   1.00 1.29  1   P  1 
HETATM 2274 C C17 . LIG_P  P  16 .   ? -23.943 -20.925 9.968   1.00 1.23  1   P  1 
HETATM 2275 C C18 . LIG_P  P  16 .   ? -23.085 -21.830 9.739   1.00 1.26  1   P  1 
HETATM 2276 O O1  . LIG_P  P  16 .   ? -22.872 -22.677 10.530  1.00 1.61  1   P  1 
HETATM 2277 O O2  . LIG_P  P  16 .   ? -22.483 -21.680 8.680   1.00 1.57  1   P  1 
HETATM 2278 C C19 . LIG_P  P  16 .   ? -21.485 -22.474 8.484   1.00 1.24  1   P  1 
HETATM 2279 C C20 . LIG_P  P  16 .   ? -21.087 -22.481 7.099   1.00 1.29  1   P  1 
HETATM 2280 C C21 . LIG_P  P  16 .   ? -20.187 -23.638 6.874   1.00 1.33  1   P  1 
HETATM 2281 O O3  . LIG_P  P  16 .   ? -20.867 -24.579 6.209   1.00 1.37  1   P  1 
HETATM 2282 P P1  . LIG_P  P  16 .   ? -20.219 -25.908 5.825   1.00 1.25  1   P  1 
HETATM 2283 O O4  . LIG_P  P  16 .   ? -18.797 -25.770 5.796   1.00 1.20  1   P  1 
HETATM 2284 O O5  . LIG_P  P  16 .   ? -20.899 -26.438 4.729   1.00 1.18  1   P  1 
HETATM 2285 O O6  . LIG_P  P  16 .   ? -20.612 -26.626 7.125   1.00 1.33  1   P  1 
HETATM 2286 C C22 . LIG_P  P  16 .   ? -20.347 -27.748 7.538   1.00 1.32  1   P  1 
HETATM 2287 C C23 . LIG_P  P  16 .   ? -19.878 -27.806 8.850   1.00 1.32  1   P  1 
HETATM 2288 N N1  . LIG_P  P  16 .   ? -20.758 -28.132 9.853   1.00 2.00  1   P  1 
HETATM 2289 C C24 . LIG_P  P  16 .   ? -20.072 -28.930 10.778  1.00 1.38  1   P  1 
HETATM 2290 C C25 . LIG_P  P  16 .   ? -21.182 -26.939 10.477  1.00 1.48  1   P  1 
HETATM 2291 C C26 . LIG_P  P  16 .   ? -21.881 -28.839 9.366   1.00 1.46  1   P  1 
HETATM 2292 O O7  . LIG_P  P  16 .   ? -20.387 -21.323 6.815   1.00 1.46  1   P  1 
HETATM 2293 C C27 . LIG_P  P  16 .   ? -20.767 -20.735 5.786   1.00 1.37  1   P  1 
HETATM 2294 O O8  . LIG_P  P  16 .   ? -21.542 -21.232 5.018   1.00 1.43  1   P  1 
HETATM 2295 C C28 . LIG_P  P  16 .   ? -20.320 -19.521 5.624   1.00 1.27  1   P  1 
HETATM 2296 C C29 . LIG_P  P  16 .   ? -20.945 -18.594 5.268   1.00 1.34  1   P  1 
HETATM 2297 C C30 . LIG_P  P  16 .   ? -21.485 -17.667 5.059   1.00 1.33  1   P  1 
HETATM 2298 C C31 . LIG_P  P  16 .   ? -22.115 -16.742 4.864   1.00 1.32  1   P  1 
HETATM 2299 C C32 . LIG_P  P  16 .   ? -22.701 -15.820 4.742   1.00 1.46  1   P  1 
HETATM 2300 C C33 . LIG_P  P  16 .   ? -23.346 -14.896 4.661   1.00 1.44  1   P  1 
HETATM 2301 C C34 . LIG_P  P  16 .   ? -23.975 -13.976 4.675   1.00 1.43  1   P  1 
HETATM 2302 C C35 . LIG_P  P  16 .   ? -24.615 -13.052 4.778   1.00 1.48  1   P  1 
HETATM 2303 C C36 . LIG_P  P  16 .   ? -25.252 -12.155 5.004   1.00 1.56  1   P  1 
HETATM 2304 C C37 . LIG_P  P  16 .   ? -25.894 -11.269 5.349   1.00 1.57  1   P  1 
HETATM 2305 C C38 . LIG_P  P  16 .   ? -26.521 -10.422 5.801   1.00 1.43  1   P  1 
HETATM 2306 C C39 . LIG_P  P  16 .   ? -27.148 -9.593  6.346   1.00 1.62  1   P  1 
HETATM 2307 C C40 . LIG_P  P  16 .   ? -27.743 -8.797  6.950   1.00 1.73  1   P  1 
HETATM 2308 C C41 . LIG_P  P  16 .   ? -28.331 -8.019  7.602   1.00 1.55  1   P  1 
HETATM 2309 C C42 . LIG_P  P  16 .   ? -28.916 -7.296  8.208   1.00 1.60  1   P  1 
HETATM 2310 C C43 . LIG_P  P  16 .   ? -29.529 -6.548  8.705   1.00 1.35  1   P  1 
HETATM 2311 C C44 . LIG_P  P  16 .   ? -30.298 -5.696  9.086   1.00 1.44  1   P  1 
HETATM 2312 C C1  . LIG_Q  Q  17 .   ? -9.010  5.029   19.312  1.00 2.10  1   Q  1 
HETATM 2313 C C2  . LIG_Q  Q  17 .   ? -9.808  4.698   18.832  1.00 2.00  1   Q  1 
HETATM 2314 C C3  . LIG_Q  Q  17 .   ? -9.829  3.765   18.234  1.00 1.84  1   Q  1 
HETATM 2315 C C4  . LIG_Q  Q  17 .   ? -9.277  2.876   17.873  1.00 2.14  1   Q  1 
HETATM 2316 C C5  . LIG_Q  Q  17 .   ? -8.692  2.002   17.526  1.00 1.99  1   Q  1 
HETATM 2317 C C6  . LIG_Q  Q  17 .   ? -7.970  1.188   17.287  1.00 1.82  1   Q  1 
HETATM 2318 C C7  . LIG_Q  Q  17 .   ? -7.230  0.407   17.075  1.00 1.77  1   Q  1 
HETATM 2319 C C8  . LIG_Q  Q  17 .   ? -6.437  -0.346  16.888  1.00 1.71  1   Q  1 
HETATM 2320 C C9  . LIG_Q  Q  17 .   ? -5.676  -1.109  16.681  1.00 1.79  1   Q  1 
HETATM 2321 C C10 . LIG_Q  Q  17 .   ? -4.897  -1.910  16.445  1.00 1.93  1   Q  1 
HETATM 2322 C C11 . LIG_Q  Q  17 .   ? -4.163  -2.692  16.173  1.00 1.79  1   Q  1 
HETATM 2323 C C12 . LIG_Q  Q  17 .   ? -3.411  -3.507  15.892  1.00 1.86  1   Q  1 
HETATM 2324 C C13 . LIG_Q  Q  17 .   ? -2.705  -4.301  15.539  1.00 1.46  1   Q  1 
HETATM 2325 C C14 . LIG_Q  Q  17 .   ? -1.990  -5.142  15.214  1.00 1.43  1   Q  1 
HETATM 2326 C C15 . LIG_Q  Q  17 .   ? -1.328  -5.898  14.771  1.00 1.38  1   Q  1 
HETATM 2327 C C16 . LIG_Q  Q  17 .   ? -0.644  -6.793  14.448  1.00 1.42  1   Q  1 
HETATM 2328 C C17 . LIG_Q  Q  17 .   ? 0.049   -7.419  13.918  1.00 1.28  1   Q  1 
HETATM 2329 C C18 . LIG_Q  Q  17 .   ? 0.761   -8.520  13.827  1.00 1.35  1   Q  1 
HETATM 2330 O O1  . LIG_Q  Q  17 .   ? 0.344   -9.576  14.175  1.00 1.91  1   Q  1 
HETATM 2331 O O2  . LIG_Q  Q  17 .   ? 1.906   -8.330  13.355  1.00 1.79  1   Q  1 
HETATM 2332 C C19 . LIG_Q  Q  17 .   ? 2.743   -9.348  13.395  1.00 1.27  1   Q  1 
HETATM 2333 C C20 . LIG_Q  Q  17 .   ? 4.103   -8.965  13.801  1.00 1.30  1   Q  1 
HETATM 2334 C C21 . LIG_Q  Q  17 .   ? 4.950   -10.187 13.924  1.00 1.33  1   Q  1 
HETATM 2335 O O3  . LIG_Q  Q  17 .   ? 5.390   -10.544 12.725  1.00 1.42  1   Q  1 
HETATM 2336 P P1  . LIG_Q  Q  17 .   ? 6.373   -11.710 12.576  1.00 1.25  1   Q  1 
HETATM 2337 O O4  . LIG_Q  Q  17 .   ? 6.929   -11.614 11.264  1.00 1.25  1   Q  1 
HETATM 2338 O O5  . LIG_Q  Q  17 .   ? 5.829   -12.932 12.977  1.00 1.24  1   Q  1 
HETATM 2339 O O6  . LIG_Q  Q  17 .   ? 7.401   -11.275 13.638  1.00 1.40  1   Q  1 
HETATM 2340 C C22 . LIG_Q  Q  17 .   ? 8.630   -11.241 13.523  1.00 1.35  1   Q  1 
HETATM 2341 C C23 . LIG_Q  Q  17 .   ? 9.276   -10.551 14.519  1.00 1.34  1   Q  1 
HETATM 2342 N N1  . LIG_Q  Q  17 .   ? 10.150  -9.555  14.160  1.00 1.90  1   Q  1 
HETATM 2343 C C24 . LIG_Q  Q  17 .   ? 9.792   -8.412  14.884  1.00 1.37  1   Q  1 
HETATM 2344 C C25 . LIG_Q  Q  17 .   ? 11.453  -9.956  14.496  1.00 1.39  1   Q  1 
HETATM 2345 C C26 . LIG_Q  Q  17 .   ? 10.090  -9.280  12.777  1.00 1.41  1   Q  1 
HETATM 2346 O O7  . LIG_Q  Q  17 .   ? 4.061   -8.383  15.066  1.00 1.56  1   Q  1 
HETATM 2347 C C27 . LIG_Q  Q  17 .   ? 4.526   -7.200  15.174  1.00 1.50  1   Q  1 
HETATM 2348 O O8  . LIG_Q  Q  17 .   ? 5.268   -6.739  14.362  1.00 1.60  1   Q  1 
HETATM 2349 C C28 . LIG_Q  Q  17 .   ? 4.087   -6.514  16.232  1.00 1.37  1   Q  1 
HETATM 2350 C C29 . LIG_Q  Q  17 .   ? 3.483   -5.485  16.313  1.00 1.51  1   Q  1 
HETATM 2351 C C30 . LIG_Q  Q  17 .   ? 2.846   -4.656  16.783  1.00 1.50  1   Q  1 
HETATM 2352 C C31 . LIG_Q  Q  17 .   ? 2.146   -3.754  16.964  1.00 1.49  1   Q  1 
HETATM 2353 C C32 . LIG_Q  Q  17 .   ? 1.465   -2.913  17.278  1.00 1.65  1   Q  1 
HETATM 2354 C C33 . LIG_Q  Q  17 .   ? 0.719   -2.062  17.481  1.00 1.57  1   Q  1 
HETATM 2355 C C34 . LIG_Q  Q  17 .   ? -0.042  -1.236  17.698  1.00 1.57  1   Q  1 
HETATM 2356 C C35 . LIG_Q  Q  17 .   ? -0.839  -0.421  17.869  1.00 1.61  1   Q  1 
HETATM 2357 C C36 . LIG_Q  Q  17 .   ? -1.667  0.365   18.037  1.00 1.76  1   Q  1 
HETATM 2358 C C37 . LIG_Q  Q  17 .   ? -2.515  1.146   18.222  1.00 1.72  1   Q  1 
HETATM 2359 C C38 . LIG_Q  Q  17 .   ? -3.364  1.919   18.440  1.00 1.57  1   Q  1 
HETATM 2360 C C39 . LIG_Q  Q  17 .   ? -4.232  2.695   18.688  1.00 1.65  1   Q  1 
HETATM 2361 C C40 . LIG_Q  Q  17 .   ? -5.080  3.424   18.970  1.00 1.79  1   Q  1 
HETATM 2362 C C41 . LIG_Q  Q  17 .   ? -5.932  4.141   19.299  1.00 1.48  1   Q  1 
HETATM 2363 C C42 . LIG_Q  Q  17 .   ? -6.724  4.810   19.662  1.00 1.46  1   Q  1 
HETATM 2364 C C43 . LIG_Q  Q  17 .   ? -7.467  5.518   20.090  1.00 1.31  1   Q  1 
HETATM 2365 C C44 . LIG_Q  Q  17 .   ? -8.191  6.312   20.650  1.00 1.37  1   Q  1 
HETATM 2366 C C1  . LIG_R  R  18 .   ? -0.851  7.728   24.138  1.00 2.24  1   R  1 
HETATM 2367 C C2  . LIG_R  R  18 .   ? -0.887  8.499   23.398  1.00 2.08  1   R  1 
HETATM 2368 C C3  . LIG_R  R  18 .   ? -0.368  8.590   22.389  1.00 1.94  1   R  1 
HETATM 2369 C C4  . LIG_R  R  18 .   ? 0.343   8.275   21.592  1.00 2.22  1   R  1 
HETATM 2370 C C5  . LIG_R  R  18 .   ? 1.061   7.938   20.768  1.00 2.06  1   R  1 
HETATM 2371 C C6  . LIG_R  R  18 .   ? 1.808   7.490   20.022  1.00 1.86  1   R  1 
HETATM 2372 C C7  . LIG_R  R  18 .   ? 2.544   7.011   19.309  1.00 1.83  1   R  1 
HETATM 2373 C C8  . LIG_R  R  18 .   ? 3.302   6.448   18.676  1.00 1.80  1   R  1 
HETATM 2374 C C9  . LIG_R  R  18 .   ? 4.076   5.848   18.122  1.00 1.88  1   R  1 
HETATM 2375 C C10 . LIG_R  R  18 .   ? 4.889   5.199   17.601  1.00 2.03  1   R  1 
HETATM 2376 C C11 . LIG_R  R  18 .   ? 5.716   4.538   17.194  1.00 1.85  1   R  1 
HETATM 2377 C C12 . LIG_R  R  18 .   ? 6.538   3.834   16.799  1.00 1.97  1   R  1 
HETATM 2378 C C13 . LIG_R  R  18 .   ? 7.373   3.107   16.513  1.00 1.50  1   R  1 
HETATM 2379 C C14 . LIG_R  R  18 .   ? 8.201   2.381   16.166  1.00 1.50  1   R  1 
HETATM 2380 C C15 . LIG_R  R  18 .   ? 9.027   1.628   15.997  1.00 1.45  1   R  1 
HETATM 2381 C C16 . LIG_R  R  18 .   ? 9.816   0.880   15.569  1.00 1.45  1   R  1 
HETATM 2382 C C17 . LIG_R  R  18 .   ? 10.584  0.056   15.521  1.00 1.30  1   R  1 
HETATM 2383 C C18 . LIG_R  R  18 .   ? 11.258  -0.725  14.703  1.00 1.45  1   R  1 
HETATM 2384 O O1  . LIG_R  R  18 .   ? 11.453  -0.411  13.591  1.00 2.06  1   R  1 
HETATM 2385 O O2  . LIG_R  R  18 .   ? 11.626  -1.811  15.176  1.00 1.90  1   R  1 
HETATM 2386 C C19 . LIG_R  R  18 .   ? 12.130  -2.713  14.331  1.00 1.32  1   R  1 
HETATM 2387 C C20 . LIG_R  R  18 .   ? 11.911  -4.073  14.827  1.00 1.36  1   R  1 
HETATM 2388 C C21 . LIG_R  R  18 .   ? 12.539  -5.087  13.940  1.00 1.40  1   R  1 
HETATM 2389 O O3  . LIG_R  R  18 .   ? 13.851  -4.856  13.834  1.00 1.51  1   R  1 
HETATM 2390 P P1  . LIG_R  R  18 .   ? 14.830  -6.006  13.567  1.00 1.37  1   R  1 
HETATM 2391 O O4  . LIG_R  R  18 .   ? 16.167  -5.490  13.725  1.00 1.31  1   R  1 
HETATM 2392 O O5  . LIG_R  R  18 .   ? 14.447  -7.195  14.175  1.00 1.30  1   R  1 
HETATM 2393 O O6  . LIG_R  R  18 .   ? 14.606  -6.191  11.997  1.00 1.53  1   R  1 
HETATM 2394 C C22 . LIG_R  R  18 .   ? 15.169  -7.114  11.390  1.00 1.49  1   R  1 
HETATM 2395 C C23 . LIG_R  R  18 .   ? 15.603  -6.883  10.117  1.00 1.56  1   R  1 
HETATM 2396 N N1  . LIG_R  R  18 .   ? 16.782  -7.548  9.784   1.00 2.58  1   R  1 
HETATM 2397 C C24 . LIG_R  R  18 .   ? 17.898  -6.791  10.251  1.00 1.71  1   R  1 
HETATM 2398 C C25 . LIG_R  R  18 .   ? 16.849  -7.640  8.388   1.00 1.81  1   R  1 
HETATM 2399 C C26 . LIG_R  R  18 .   ? 16.815  -8.847  10.333  1.00 1.60  1   R  1 
HETATM 2400 O O7  . LIG_R  R  18 .   ? 10.538  -4.340  14.811  1.00 1.61  1   R  1 
HETATM 2401 C C27 . LIG_R  R  18 .   ? 9.990   -4.511  15.958  1.00 1.54  1   R  1 
HETATM 2402 O O8  . LIG_R  R  18 .   ? 10.643  -4.701  16.944  1.00 1.62  1   R  1 
HETATM 2403 C C28 . LIG_R  R  18 .   ? 8.667   -4.382  16.004  1.00 1.39  1   R  1 
HETATM 2404 C C29 . LIG_R  R  18 .   ? 7.962   -3.687  16.660  1.00 1.50  1   R  1 
HETATM 2405 C C30 . LIG_R  R  18 .   ? 7.119   -3.074  17.105  1.00 1.53  1   R  1 
HETATM 2406 C C31 . LIG_R  R  18 .   ? 6.396   -2.360  17.655  1.00 1.50  1   R  1 
HETATM 2407 C C32 . LIG_R  R  18 .   ? 5.637   -1.689  18.168  1.00 1.65  1   R  1 
HETATM 2408 C C33 . LIG_R  R  18 .   ? 4.920   -0.986  18.736  1.00 1.56  1   R  1 
HETATM 2409 C C34 . LIG_R  R  18 .   ? 4.196   -0.279  19.309  1.00 1.55  1   R  1 
HETATM 2410 C C35 . LIG_R  R  18 .   ? 3.504   0.444   19.905  1.00 1.62  1   R  1 
HETATM 2411 C C36 . LIG_R  R  18 .   ? 2.844   1.179   20.523  1.00 1.73  1   R  1 
HETATM 2412 C C37 . LIG_R  R  18 .   ? 2.212   1.907   21.193  1.00 1.71  1   R  1 
HETATM 2413 C C38 . LIG_R  R  18 .   ? 1.632   2.627   21.904  1.00 1.54  1   R  1 
HETATM 2414 C C39 . LIG_R  R  18 .   ? 1.072   3.362   22.642  1.00 1.66  1   R  1 
HETATM 2415 C C40 . LIG_R  R  18 .   ? 0.544   4.076   23.383  1.00 1.79  1   R  1 
HETATM 2416 C C41 . LIG_R  R  18 .   ? 0.027   4.797   24.116  1.00 1.51  1   R  1 
HETATM 2417 C C42 . LIG_R  R  18 .   ? -0.472  5.496   24.811  1.00 1.55  1   R  1 
HETATM 2418 C C43 . LIG_R  R  18 .   ? -0.973  6.172   25.517  1.00 1.31  1   R  1 
HETATM 2419 C C44 . LIG_R  R  18 .   ? -1.513  6.828   26.360  1.00 1.41  1   R  1 
HETATM 2420 C C1  . LIG_S  S  19 .   ? -7.112  13.170  10.175  1.00 2.32  1   S  1 
HETATM 2421 C C2  . LIG_S  S  19 .   ? -6.984  13.947  10.009  1.00 2.00  1   S  1 
HETATM 2422 C C3  . LIG_S  S  19 .   ? -7.148  14.801  10.598  1.00 1.84  1   S  1 
HETATM 2423 C C4  . LIG_S  S  19 .   ? -7.370  15.348  11.440  1.00 2.22  1   S  1 
HETATM 2424 C C5  . LIG_S  S  19 .   ? -7.633  15.870  12.332  1.00 2.08  1   S  1 
HETATM 2425 C C6  . LIG_S  S  19 .   ? -7.939  16.185  13.284  1.00 1.91  1   S  1 
HETATM 2426 C C7  . LIG_S  S  19 .   ? -8.288  16.419  14.235  1.00 1.92  1   S  1 
HETATM 2427 C C8  . LIG_S  S  19 .   ? -8.712  16.646  15.167  1.00 1.87  1   S  1 
HETATM 2428 C C9  . LIG_S  S  19 .   ? -9.165  16.908  16.072  1.00 1.86  1   S  1 
HETATM 2429 C C10 . LIG_S  S  19 .   ? -9.683  17.235  16.958  1.00 1.94  1   S  1 
HETATM 2430 C C11 . LIG_S  S  19 .   ? -10.218 17.613  17.791  1.00 1.70  1   S  1 
HETATM 2431 C C12 . LIG_S  S  19 .   ? -10.797 18.040  18.596  1.00 1.75  1   S  1 
HETATM 2432 C C13 . LIG_S  S  19 .   ? -11.397 18.519  19.339  1.00 1.38  1   S  1 
HETATM 2433 C C14 . LIG_S  S  19 .   ? -12.037 19.021  20.072  1.00 1.35  1   S  1 
HETATM 2434 C C15 . LIG_S  S  19 .   ? -12.651 19.541  20.763  1.00 1.34  1   S  1 
HETATM 2435 C C16 . LIG_S  S  19 .   ? -13.313 20.083  21.496  1.00 1.31  1   S  1 
HETATM 2436 C C17 . LIG_S  S  19 .   ? -13.918 20.553  22.137  1.00 1.24  1   S  1 
HETATM 2437 C C18 . LIG_S  S  19 .   ? -14.683 21.121  22.965  1.00 1.25  1   S  1 
HETATM 2438 O O1  . LIG_S  S  19 .   ? -14.493 22.217  23.298  1.00 1.86  1   S  1 
HETATM 2439 O O2  . LIG_S  S  19 .   ? -15.586 20.409  23.311  1.00 1.72  1   S  1 
HETATM 2440 C C19 . LIG_S  S  19 .   ? -16.432 20.881  24.186  1.00 1.24  1   S  1 
HETATM 2441 C C20 . LIG_S  S  19 .   ? -17.518 19.956  24.419  1.00 1.29  1   S  1 
HETATM 2442 C C21 . LIG_S  S  19 .   ? -18.272 20.292  25.676  1.00 1.31  1   S  1 
HETATM 2443 O O3  . LIG_S  S  19 .   ? -17.443 20.630  26.659  1.00 1.40  1   S  1 
HETATM 2444 P P1  . LIG_S  S  19 .   ? -18.028 21.325  27.921  1.00 1.26  1   S  1 
HETATM 2445 O O4  . LIG_S  S  19 .   ? -16.944 21.796  28.667  1.00 1.26  1   S  1 
HETATM 2446 O O5  . LIG_S  S  19 .   ? -18.998 20.543  28.546  1.00 1.22  1   S  1 
HETATM 2447 O O6  . LIG_S  S  19 .   ? -18.804 22.463  27.210  1.00 1.35  1   S  1 
HETATM 2448 C C22 . LIG_S  S  19 .   ? -18.711 23.650  27.493  1.00 1.35  1   S  1 
HETATM 2449 C C23 . LIG_S  S  19 .   ? -18.852 24.608  26.520  1.00 1.34  1   S  1 
HETATM 2450 N N1  . LIG_S  S  19 .   ? -18.526 25.855  26.958  1.00 2.07  1   S  1 
HETATM 2451 C C24 . LIG_S  S  19 .   ? -17.283 25.806  27.634  1.00 1.39  1   S  1 
HETATM 2452 C C25 . LIG_S  S  19 .   ? -18.450 26.674  25.862  1.00 1.48  1   S  1 
HETATM 2453 C C26 . LIG_S  S  19 .   ? -19.522 26.308  27.845  1.00 1.42  1   S  1 
HETATM 2454 O O7  . LIG_S  S  19 .   ? -17.027 18.680  24.589  1.00 1.48  1   S  1 
HETATM 2455 C C27 . LIG_S  S  19 .   ? -17.421 17.852  23.719  1.00 1.45  1   S  1 
HETATM 2456 O O8  . LIG_S  S  19 .   ? -18.275 18.129  22.930  1.00 1.50  1   S  1 
HETATM 2457 C C28 . LIG_S  S  19 .   ? -16.767 16.722  23.670  1.00 1.30  1   S  1 
HETATM 2458 C C29 . LIG_S  S  19 .   ? -16.153 16.229  22.815  1.00 1.43  1   S  1 
HETATM 2459 C C30 . LIG_S  S  19 .   ? -15.457 15.578  22.255  1.00 1.37  1   S  1 
HETATM 2460 C C31 . LIG_S  S  19 .   ? -14.737 15.103  21.533  1.00 1.37  1   S  1 
HETATM 2461 C C32 . LIG_S  S  19 .   ? -13.987 14.627  20.890  1.00 1.53  1   S  1 
HETATM 2462 C C33 . LIG_S  S  19 .   ? -13.247 14.227  20.166  1.00 1.47  1   S  1 
HETATM 2463 C C34 . LIG_S  S  19 .   ? -12.530 13.846  19.413  1.00 1.51  1   S  1 
HETATM 2464 C C35 . LIG_S  S  19 .   ? -11.848 13.514  18.601  1.00 1.54  1   S  1 
HETATM 2465 C C36 . LIG_S  S  19 .   ? -11.202 13.230  17.742  1.00 1.64  1   S  1 
HETATM 2466 C C37 . LIG_S  S  19 .   ? -10.573 12.983  16.845  1.00 1.70  1   S  1 
HETATM 2467 C C38 . LIG_S  S  19 .   ? -9.974  12.762  15.922  1.00 1.54  1   S  1 
HETATM 2468 C C39 . LIG_S  S  19 .   ? -9.392  12.550  14.970  1.00 1.66  1   S  1 
HETATM 2469 C C40 . LIG_S  S  19 .   ? -8.855  12.340  14.001  1.00 1.82  1   S  1 
HETATM 2470 C C41 . LIG_S  S  19 .   ? -8.344  12.146  13.013  1.00 1.50  1   S  1 
HETATM 2471 C C42 . LIG_S  S  19 .   ? -7.853  11.948  12.065  1.00 1.44  1   S  1 
HETATM 2472 C C43 . LIG_S  S  19 .   ? -7.391  11.720  11.120  1.00 1.32  1   S  1 
HETATM 2473 C C44 . LIG_S  S  19 .   ? -6.876  11.352  10.088  1.00 1.34  1   S  1 
HETATM 2474 C C1  . LIG_T  T  20 .   ? -0.560  24.921  17.906  1.00 2.40  1   T  1 
HETATM 2475 C C2  . LIG_T  T  20 .   ? -0.868  24.475  17.048  1.00 2.58  1   T  1 
HETATM 2476 C C3  . LIG_T  T  20 .   ? -0.720  23.578  16.409  1.00 2.39  1   T  1 
HETATM 2477 C C4  . LIG_T  T  20 .   ? -0.395  22.576  16.064  1.00 2.64  1   T  1 
HETATM 2478 C C5  . LIG_T  T  20 .   ? -0.037  21.569  15.707  1.00 2.25  1   T  1 
HETATM 2479 C C6  . LIG_T  T  20 .   ? 0.348   20.571  15.377  1.00 2.03  1   T  1 
HETATM 2480 C C7  . LIG_T  T  20 .   ? 0.705   19.599  14.975  1.00 2.16  1   T  1 
HETATM 2481 C C8  . LIG_T  T  20 .   ? 1.079   18.688  14.444  1.00 2.07  1   T  1 
HETATM 2482 C C9  . LIG_T  T  20 .   ? 1.418   17.855  13.806  1.00 2.27  1   T  1 
HETATM 2483 C C10 . LIG_T  T  20 .   ? 1.778   17.092  13.031  1.00 2.44  1   T  1 
HETATM 2484 C C11 . LIG_T  T  20 .   ? 2.115   16.539  12.150  1.00 2.28  1   T  1 
HETATM 2485 C C12 . LIG_T  T  20 .   ? 2.465   16.258  11.133  1.00 2.53  1   T  1 
HETATM 2486 C C13 . LIG_T  T  20 .   ? 2.704   16.321  10.057  1.00 1.87  1   T  1 
HETATM 2487 C C14 . LIG_T  T  20 .   ? 2.995   16.489  9.004   1.00 1.98  1   T  1 
HETATM 2488 C C15 . LIG_T  T  20 .   ? 3.216   16.799  7.942   1.00 2.18  1   T  1 
HETATM 2489 C C16 . LIG_T  T  20 .   ? 3.639   17.159  6.956   1.00 2.49  1   T  1 
HETATM 2490 C C17 . LIG_T  T  20 .   ? 4.015   17.459  5.931   1.00 2.07  1   T  1 
HETATM 2491 C C18 . LIG_T  T  20 .   ? 5.158   17.738  5.402   1.00 2.43  1   T  1 
HETATM 2492 O O1  . LIG_T  T  20 .   ? 5.454   17.406  4.315   1.00 3.15  1   T  1 
HETATM 2493 O O2  . LIG_T  T  20 .   ? 5.896   18.326  6.188   1.00 2.86  1   T  1 
HETATM 2494 C C19 . LIG_T  T  20 .   ? 7.170   18.462  5.875   1.00 2.22  1   T  1 
HETATM 2495 C C20 . LIG_T  T  20 .   ? 7.932   18.925  7.027   1.00 2.88  1   T  1 
HETATM 2496 C C21 . LIG_T  T  20 .   ? 9.362   19.013  6.684   1.00 3.03  1   T  1 
HETATM 2497 O O3  . LIG_T  T  20 .   ? 9.797   17.864  6.160   1.00 2.83  1   T  1 
HETATM 2498 P P1  . LIG_T  T  20 .   ? 11.321  17.686  5.900   1.00 2.75  1   T  1 
HETATM 2499 O O4  . LIG_T  T  20 .   ? 11.486  17.125  4.619   1.00 2.45  1   T  1 
HETATM 2500 O O5  . LIG_T  T  20 .   ? 12.053  18.837  6.271   1.00 2.30  1   T  1 
HETATM 2501 O O6  . LIG_T  T  20 .   ? 11.597  16.615  6.971   1.00 2.92  1   T  1 
HETATM 2502 C C22 . LIG_T  T  20 .   ? 12.360  15.636  6.811   1.00 3.35  1   T  1 
HETATM 2503 C C23 . LIG_T  T  20 .   ? 12.557  14.921  7.971   1.00 3.19  1   T  1 
HETATM 2504 N N1  . LIG_T  T  20 .   ? 13.753  15.135  8.624   1.00 4.84  1   T  1 
HETATM 2505 C C24 . LIG_T  T  20 .   ? 13.595  16.191  9.556   1.00 3.00  1   T  1 
HETATM 2506 C C25 . LIG_T  T  20 .   ? 14.091  13.951  9.280   1.00 3.19  1   T  1 
HETATM 2507 C C26 . LIG_T  T  20 .   ? 14.786  15.450  7.717   1.00 3.49  1   T  1 
HETATM 2508 O O7  . LIG_T  T  20 .   ? 7.773   18.021  8.061   1.00 2.71  1   T  1 
HETATM 2509 C C27 . LIG_T  T  20 .   ? 7.635   18.558  9.205   1.00 2.48  1   T  1 
HETATM 2510 O O8  . LIG_T  T  20 .   ? 7.836   19.737  9.369   1.00 2.24  1   T  1 
HETATM 2511 C C28 . LIG_T  T  20 .   ? 7.258   17.780  10.186  1.00 2.04  1   T  1 
HETATM 2512 C C29 . LIG_T  T  20 .   ? 6.960   18.011  11.276  1.00 2.08  1   T  1 
HETATM 2513 C C30 . LIG_T  T  20 .   ? 6.578   17.939  12.327  1.00 1.95  1   T  1 
HETATM 2514 C C31 . LIG_T  T  20 .   ? 6.264   18.122  13.396  1.00 1.81  1   T  1 
HETATM 2515 C C32 . LIG_T  T  20 .   ? 5.952   18.291  14.456  1.00 2.16  1   T  1 
HETATM 2516 C C33 . LIG_T  T  20 .   ? 5.672   18.630  15.499  1.00 1.92  1   T  1 
HETATM 2517 C C34 . LIG_T  T  20 .   ? 5.394   19.055  16.500  1.00 1.84  1   T  1 
HETATM 2518 C C35 . LIG_T  T  20 .   ? 5.122   19.572  17.449  1.00 1.78  1   T  1 
HETATM 2519 C C36 . LIG_T  T  20 .   ? 4.833   20.193  18.322  1.00 1.92  1   T  1 
HETATM 2520 C C37 . LIG_T  T  20 .   ? 4.487   20.928  19.091  1.00 1.90  1   T  1 
HETATM 2521 C C38 . LIG_T  T  20 .   ? 4.050   21.731  19.717  1.00 1.61  1   T  1 
HETATM 2522 C C39 . LIG_T  T  20 .   ? 3.440   22.609  20.104  1.00 1.66  1   T  1 
HETATM 2523 C C40 . LIG_T  T  20 .   ? 2.699   23.448  20.158  1.00 1.99  1   T  1 
HETATM 2524 C C41 . LIG_T  T  20 .   ? 1.922   24.275  20.101  1.00 1.72  1   T  1 
HETATM 2525 C C42 . LIG_T  T  20 .   ? 1.146   25.021  19.945  1.00 1.69  1   T  1 
HETATM 2526 C C43 . LIG_T  T  20 .   ? 0.384   25.775  19.823  1.00 1.43  1   T  1 
HETATM 2527 C C44 . LIG_T  T  20 .   ? -0.441  26.633  19.756  1.00 1.48  1   T  1 
HETATM 2528 C C1  . LIG_U  U  21 .   ? -11.438 23.245  15.664  1.00 2.62  1   U  1 
HETATM 2529 C C2  . LIG_U  U  21 .   ? -11.976 24.295  15.786  1.00 2.48  1   U  1 
HETATM 2530 C C3  . LIG_U  U  21 .   ? -11.616 25.293  15.395  1.00 2.29  1   U  1 
HETATM 2531 C C4  . LIG_U  U  21 .   ? -10.739 25.672  14.821  1.00 2.56  1   U  1 
HETATM 2532 C C5  . LIG_U  U  21 .   ? -9.809  25.834  14.241  1.00 2.28  1   U  1 
HETATM 2533 C C6  . LIG_U  U  21 .   ? -8.841  25.797  13.654  1.00 1.94  1   U  1 
HETATM 2534 C C7  . LIG_U  U  21 .   ? -7.910  25.640  13.082  1.00 1.96  1   U  1 
HETATM 2535 C C8  . LIG_U  U  21 .   ? -6.979  25.445  12.498  1.00 1.93  1   U  1 
HETATM 2536 C C9  . LIG_U  U  21 .   ? -6.078  25.198  11.912  1.00 2.02  1   U  1 
HETATM 2537 C C10 . LIG_U  U  21 .   ? -5.180  24.903  11.284  1.00 2.21  1   U  1 
HETATM 2538 C C11 . LIG_U  U  21 .   ? -4.342  24.598  10.630  1.00 2.06  1   U  1 
HETATM 2539 C C12 . LIG_U  U  21 .   ? -3.499  24.252  9.950   1.00 2.34  1   U  1 
HETATM 2540 C C13 . LIG_U  U  21 .   ? -2.699  23.917  9.243   1.00 1.69  1   U  1 
HETATM 2541 C C14 . LIG_U  U  21 .   ? -1.896  23.551  8.523   1.00 1.76  1   U  1 
HETATM 2542 C C15 . LIG_U  U  21 .   ? -1.139  23.238  7.791   1.00 1.79  1   U  1 
HETATM 2543 C C16 . LIG_U  U  21 .   ? -0.323  22.865  7.052   1.00 1.84  1   U  1 
HETATM 2544 C C17 . LIG_U  U  21 .   ? 0.421   22.780  6.294   1.00 1.69  1   U  1 
HETATM 2545 C C18 . LIG_U  U  21 .   ? 1.371   22.211  5.623   1.00 2.26  1   U  1 
HETATM 2546 O O1  . LIG_U  U  21 .   ? 1.469   21.039  5.550   1.00 3.79  1   U  1 
HETATM 2547 O O2  . LIG_U  U  21 .   ? 2.141   23.013  5.094   1.00 3.51  1   U  1 
HETATM 2548 C C19 . LIG_U  U  21 .   ? 3.179   22.557  4.431   1.00 2.70  1   U  1 
HETATM 2549 C C20 . LIG_U  U  21 .   ? 4.440   23.148  4.890   1.00 2.46  1   U  1 
HETATM 2550 C C21 . LIG_U  U  21 .   ? 5.457   23.087  3.838   1.00 3.06  1   U  1 
HETATM 2551 O O3  . LIG_U  U  21 .   ? 5.318   24.131  3.041   1.00 2.79  1   U  1 
HETATM 2552 P P1  . LIG_U  U  21 .   ? 6.328   24.423  1.926   1.00 2.78  1   U  1 
HETATM 2553 O O4  . LIG_U  U  21 .   ? 7.608   23.877  2.256   1.00 2.40  1   U  1 
HETATM 2554 O O5  . LIG_U  U  21 .   ? 6.207   25.773  1.549   1.00 2.37  1   U  1 
HETATM 2555 O O6  . LIG_U  U  21 .   ? 5.701   23.539  0.790   1.00 2.90  1   U  1 
HETATM 2556 C C22 . LIG_U  U  21 .   ? 6.360   22.793  0.026   1.00 3.65  1   U  1 
HETATM 2557 C C23 . LIG_U  U  21 .   ? 5.576   21.845  -0.585  1.00 4.10  1   U  1 
HETATM 2558 N N1  . LIG_U  U  21 .   ? 6.189   21.108  -1.539  1.00 5.56  1   U  1 
HETATM 2559 C C24 . LIG_U  U  21 .   ? 5.360   20.004  -1.783  1.00 5.02  1   U  1 
HETATM 2560 C C25 . LIG_U  U  21 .   ? 6.305   21.883  -2.722  1.00 4.99  1   U  1 
HETATM 2561 C C26 . LIG_U  U  21 .   ? 7.462   20.677  -1.111  1.00 5.21  1   U  1 
HETATM 2562 O O7  . LIG_U  U  21 .   ? 4.936   22.381  5.945   1.00 2.68  1   U  1 
HETATM 2563 C C27 . LIG_U  U  21 .   ? 5.094   22.957  7.041   1.00 2.41  1   U  1 
HETATM 2564 O O8  . LIG_U  U  21 .   ? 4.924   24.135  7.167   1.00 2.29  1   U  1 
HETATM 2565 C C28 . LIG_U  U  21 .   ? 5.376   22.159  8.067   1.00 2.06  1   U  1 
HETATM 2566 C C29 . LIG_U  U  21 .   ? 4.562   21.750  8.823   1.00 2.00  1   U  1 
HETATM 2567 C C30 . LIG_U  U  21 .   ? 3.689   21.366  9.367   1.00 1.97  1   U  1 
HETATM 2568 C C31 . LIG_U  U  21 .   ? 2.701   21.048  9.834   1.00 1.86  1   U  1 
HETATM 2569 C C32 . LIG_U  U  21 .   ? 1.707   20.750  10.215  1.00 2.16  1   U  1 
HETATM 2570 C C33 . LIG_U  U  21 .   ? 0.652   20.554  10.562  1.00 1.89  1   U  1 
HETATM 2571 C C34 . LIG_U  U  21 .   ? -0.410  20.439  10.878  1.00 1.79  1   U  1 
HETATM 2572 C C35 . LIG_U  U  21 .   ? -1.483  20.406  11.219  1.00 1.83  1   U  1 
HETATM 2573 C C36 . LIG_U  U  21 .   ? -2.557  20.492  11.565  1.00 1.98  1   U  1 
HETATM 2574 C C37 . LIG_U  U  21 .   ? -3.623  20.615  11.984  1.00 1.94  1   U  1 
HETATM 2575 C C38 . LIG_U  U  21 .   ? -4.690  20.760  12.438  1.00 1.66  1   U  1 
HETATM 2576 C C39 . LIG_U  U  21 .   ? -5.758  20.912  12.928  1.00 1.72  1   U  1 
HETATM 2577 C C40 . LIG_U  U  21 .   ? -6.813  21.051  13.447  1.00 2.18  1   U  1 
HETATM 2578 C C41 . LIG_U  U  21 .   ? -7.865  21.185  13.980  1.00 1.83  1   U  1 
HETATM 2579 C C42 . LIG_U  U  21 .   ? -8.849  21.260  14.502  1.00 1.84  1   U  1 
HETATM 2580 C C43 . LIG_U  U  21 .   ? -9.805  21.174  15.011  1.00 1.54  1   U  1 
HETATM 2581 C C44 . LIG_U  U  21 .   ? -10.802 20.820  15.577  1.00 1.52  1   U  1 
HETATM 2582 C C1  . LIG_V  V  22 .   ? -19.147 1.950   8.105   1.00 2.01  1   V  1 
HETATM 2583 C C2  . LIG_V  V  22 .   ? -19.607 1.502   7.335   1.00 1.98  1   V  1 
HETATM 2584 C C3  . LIG_V  V  22 .   ? -19.462 0.599   6.703   1.00 1.97  1   V  1 
HETATM 2585 C C4  . LIG_V  V  22 .   ? -19.094 -0.328  6.225   1.00 2.19  1   V  1 
HETATM 2586 C C5  . LIG_V  V  22 .   ? -18.696 -1.258  5.737   1.00 1.98  1   V  1 
HETATM 2587 C C6  . LIG_V  V  22 .   ? -18.232 -2.179  5.291   1.00 1.75  1   V  1 
HETATM 2588 C C7  . LIG_V  V  22 .   ? -17.752 -3.092  4.878   1.00 1.78  1   V  1 
HETATM 2589 C C8  . LIG_V  V  22 .   ? -17.245 -4.011  4.490   1.00 1.68  1   V  1 
HETATM 2590 C C9  . LIG_V  V  22 .   ? -16.761 -4.944  4.151   1.00 1.80  1   V  1 
HETATM 2591 C C10 . LIG_V  V  22 .   ? -16.265 -5.931  3.820   1.00 1.84  1   V  1 
HETATM 2592 C C11 . LIG_V  V  22 .   ? -15.774 -6.876  3.486   1.00 1.68  1   V  1 
HETATM 2593 C C12 . LIG_V  V  22 .   ? -15.242 -7.854  3.204   1.00 1.77  1   V  1 
HETATM 2594 C C13 . LIG_V  V  22 .   ? -14.690 -8.767  2.857   1.00 1.41  1   V  1 
HETATM 2595 C C14 . LIG_V  V  22 .   ? -14.076 -9.709  2.603   1.00 1.41  1   V  1 
HETATM 2596 C C15 . LIG_V  V  22 .   ? -13.472 -10.571 2.238   1.00 1.38  1   V  1 
HETATM 2597 C C16 . LIG_V  V  22 .   ? -12.805 -11.525 2.069   1.00 1.39  1   V  1 
HETATM 2598 C C17 . LIG_V  V  22 .   ? -12.152 -12.298 1.659   1.00 1.28  1   V  1 
HETATM 2599 C C18 . LIG_V  V  22 .   ? -11.406 -13.378 1.822   1.00 1.33  1   V  1 
HETATM 2600 O O1  . LIG_V  V  22 .   ? -11.863 -14.450 2.013   1.00 1.79  1   V  1 
HETATM 2601 O O2  . LIG_V  V  22 .   ? -10.175 -13.133 1.785   1.00 1.65  1   V  1 
HETATM 2602 C C19 . LIG_V  V  22 .   ? -9.344  -14.076 2.211   1.00 1.25  1   V  1 
HETATM 2603 C C20 . LIG_V  V  22 .   ? -8.130  -13.490 2.781   1.00 1.31  1   V  1 
HETATM 2604 C C21 . LIG_V  V  22 .   ? -7.213  -14.557 3.255   1.00 1.33  1   V  1 
HETATM 2605 O O3  . LIG_V  V  22 .   ? -6.153  -14.643 2.444   1.00 1.41  1   V  1 
HETATM 2606 P P1  . LIG_V  V  22 .   ? -4.923  -15.462 2.860   1.00 1.26  1   V  1 
HETATM 2607 O O4  . LIG_V  V  22 .   ? -4.302  -14.870 3.997   1.00 1.24  1   V  1 
HETATM 2608 O O5  . LIG_V  V  22 .   ? -4.157  -15.734 1.702   1.00 1.24  1   V  1 
HETATM 2609 O O6  . LIG_V  V  22 .   ? -5.639  -16.733 3.357   1.00 1.39  1   V  1 
HETATM 2610 C C22 . LIG_V  V  22 .   ? -5.266  -17.891 3.133   1.00 1.34  1   V  1 
HETATM 2611 C C23 . LIG_V  V  22 .   ? -6.187  -18.818 3.525   1.00 1.30  1   V  1 
HETATM 2612 N N1  . LIG_V  V  22 .   ? -6.058  -20.074 2.994   1.00 1.84  1   V  1 
HETATM 2613 C C24 . LIG_V  V  22 .   ? -7.175  -20.318 2.164   1.00 1.31  1   V  1 
HETATM 2614 C C25 . LIG_V  V  22 .   ? -4.861  -20.211 2.236   1.00 1.32  1   V  1 
HETATM 2615 C C26 . LIG_V  V  22 .   ? -6.043  -20.983 4.055   1.00 1.30  1   V  1 
HETATM 2616 O O7  . LIG_V  V  22 .   ? -8.472  -12.738 3.905   1.00 1.55  1   V  1 
HETATM 2617 C C27 . LIG_V  V  22 .   ? -8.180  -11.508 3.880   1.00 1.51  1   V  1 
HETATM 2618 O O8  . LIG_V  V  22 .   ? -7.474  -11.043 3.032   1.00 1.56  1   V  1 
HETATM 2619 C C28 . LIG_V  V  22 .   ? -8.746  -10.793 4.835   1.00 1.40  1   V  1 
HETATM 2620 C C29 . LIG_V  V  22 .   ? -9.231  -9.752  4.930   1.00 1.53  1   V  1 
HETATM 2621 C C30 . LIG_V  V  22 .   ? -9.842  -8.912  5.396   1.00 1.50  1   V  1 
HETATM 2622 C C31 . LIG_V  V  22 .   ? -10.455 -8.002  5.684   1.00 1.51  1   V  1 
HETATM 2623 C C32 . LIG_V  V  22 .   ? -11.077 -7.147  6.089   1.00 1.70  1   V  1 
HETATM 2624 C C33 . LIG_V  V  22 .   ? -11.712 -6.270  6.449   1.00 1.56  1   V  1 
HETATM 2625 C C34 . LIG_V  V  22 .   ? -12.358 -5.406  6.858   1.00 1.58  1   V  1 
HETATM 2626 C C35 . LIG_V  V  22 .   ? -12.989 -4.544  7.272   1.00 1.59  1   V  1 
HETATM 2627 C C36 . LIG_V  V  22 .   ? -13.629 -3.684  7.701   1.00 1.67  1   V  1 
HETATM 2628 C C37 . LIG_V  V  22 .   ? -14.263 -2.819  8.114   1.00 1.69  1   V  1 
HETATM 2629 C C38 . LIG_V  V  22 .   ? -14.896 -1.930  8.494   1.00 1.54  1   V  1 
HETATM 2630 C C39 . LIG_V  V  22 .   ? -15.531 -1.019  8.836   1.00 1.62  1   V  1 
HETATM 2631 C C40 . LIG_V  V  22 .   ? -16.147 -0.095  9.119   1.00 1.71  1   V  1 
HETATM 2632 C C41 . LIG_V  V  22 .   ? -16.761 0.847   9.308   1.00 1.42  1   V  1 
HETATM 2633 C C42 . LIG_V  V  22 .   ? -17.333 1.771   9.422   1.00 1.41  1   V  1 
HETATM 2634 C C43 . LIG_V  V  22 .   ? -17.861 2.729   9.532   1.00 1.27  1   V  1 
HETATM 2635 C C44 . LIG_V  V  22 .   ? -18.346 3.789   9.658   1.00 1.35  1   V  1 
HETATM 2636 C C1  . LIG_W  W  23 .   ? -15.618 5.439   11.971  1.00 2.04  1   W  1 
HETATM 2637 C C2  . LIG_W  W  23 .   ? -15.161 5.978   11.372  1.00 1.94  1   W  1 
HETATM 2638 C C3  . LIG_W  W  23 .   ? -15.411 6.998   11.151  1.00 1.84  1   W  1 
HETATM 2639 C C4  . LIG_W  W  23 .   ? -16.003 7.849   11.276  1.00 2.10  1   W  1 
HETATM 2640 C C5  . LIG_W  W  23 .   ? -16.573 8.766   11.375  1.00 1.99  1   W  1 
HETATM 2641 C C6  . LIG_W  W  23 .   ? -17.202 9.608   11.569  1.00 1.80  1   W  1 
HETATM 2642 C C7  . LIG_W  W  23 .   ? -17.752 10.492  11.728  1.00 1.81  1   W  1 
HETATM 2643 C C8  . LIG_W  W  23 .   ? -18.222 11.421  11.843  1.00 1.70  1   W  1 
HETATM 2644 C C9  . LIG_W  W  23 .   ? -18.550 12.408  11.891  1.00 1.81  1   W  1 
HETATM 2645 C C10 . LIG_W  W  23 .   ? -18.822 13.455  11.872  1.00 1.92  1   W  1 
HETATM 2646 C C11 . LIG_W  W  23 .   ? -19.040 14.503  11.799  1.00 1.69  1   W  1 
HETATM 2647 C C12 . LIG_W  W  23 .   ? -19.264 15.548  11.694  1.00 1.77  1   W  1 
HETATM 2648 C C13 . LIG_W  W  23 .   ? -19.525 16.583  11.542  1.00 1.39  1   W  1 
HETATM 2649 C C14 . LIG_W  W  23 .   ? -19.826 17.616  11.442  1.00 1.35  1   W  1 
HETATM 2650 C C15 . LIG_W  W  23 .   ? -20.143 18.655  11.318  1.00 1.35  1   W  1 
HETATM 2651 C C16 . LIG_W  W  23 .   ? -20.481 19.697  11.339  1.00 1.31  1   W  1 
HETATM 2652 C C17 . LIG_W  W  23 .   ? -20.798 20.759  11.412  1.00 1.26  1   W  1 
HETATM 2653 C C18 . LIG_W  W  23 .   ? -21.058 21.606  12.332  1.00 1.29  1   W  1 
HETATM 2654 O O1  . LIG_W  W  23 .   ? -20.246 22.351  12.719  1.00 1.90  1   W  1 
HETATM 2655 O O2  . LIG_W  W  23 .   ? -22.174 21.470  12.810  1.00 1.76  1   W  1 
HETATM 2656 C C19 . LIG_W  W  23 .   ? -22.445 22.145  13.899  1.00 1.26  1   W  1 
HETATM 2657 C C20 . LIG_W  W  23 .   ? -23.507 21.493  14.676  1.00 1.30  1   W  1 
HETATM 2658 C C21 . LIG_W  W  23 .   ? -24.017 22.448  15.685  1.00 1.35  1   W  1 
HETATM 2659 O O3  . LIG_W  W  23 .   ? -24.718 23.377  15.057  1.00 1.44  1   W  1 
HETATM 2660 P P1  . LIG_W  W  23 .   ? -25.776 24.222  15.812  1.00 1.27  1   W  1 
HETATM 2661 O O4  . LIG_W  W  23 .   ? -25.124 25.341  16.405  1.00 1.27  1   W  1 
HETATM 2662 O O5  . LIG_W  W  23 .   ? -26.859 24.405  14.944  1.00 1.27  1   W  1 
HETATM 2663 O O6  . LIG_W  W  23 .   ? -26.177 23.247  16.923  1.00 1.35  1   W  1 
HETATM 2664 C C22 . LIG_W  W  23 .   ? -27.158 23.435  17.684  1.00 1.36  1   W  1 
HETATM 2665 C C23 . LIG_W  W  23 .   ? -27.438 22.324  18.446  1.00 1.36  1   W  1 
HETATM 2666 N N1  . LIG_W  W  23 .   ? -28.654 22.247  19.027  1.00 2.12  1   W  1 
HETATM 2667 C C24 . LIG_W  W  23 .   ? -29.646 21.967  18.051  1.00 1.46  1   W  1 
HETATM 2668 C C25 . LIG_W  W  23 .   ? -28.996 23.435  19.701  1.00 1.46  1   W  1 
HETATM 2669 C C26 . LIG_W  W  23 .   ? -28.567 21.192  19.920  1.00 1.50  1   W  1 
HETATM 2670 O O7  . LIG_W  W  23 .   ? -22.964 20.412  15.348  1.00 1.52  1   W  1 
HETATM 2671 C C27 . LIG_W  W  23 .   ? -23.556 19.320  15.167  1.00 1.52  1   W  1 
HETATM 2672 O O8  . LIG_W  W  23 .   ? -24.594 19.239  14.591  1.00 1.61  1   W  1 
HETATM 2673 C C28 . LIG_W  W  23 .   ? -22.929 18.274  15.621  1.00 1.32  1   W  1 
HETATM 2674 C C29 . LIG_W  W  23 .   ? -22.924 17.176  15.452  1.00 1.44  1   W  1 
HETATM 2675 C C30 . LIG_W  W  23 .   ? -22.601 16.112  15.550  1.00 1.40  1   W  1 
HETATM 2676 C C31 . LIG_W  W  23 .   ? -22.391 15.044  15.495  1.00 1.39  1   W  1 
HETATM 2677 C C32 . LIG_W  W  23 .   ? -22.110 13.974  15.508  1.00 1.52  1   W  1 
HETATM 2678 C C33 . LIG_W  W  23 .   ? -21.852 12.909  15.431  1.00 1.48  1   W  1 
HETATM 2679 C C34 . LIG_W  W  23 .   ? -21.533 11.845  15.342  1.00 1.53  1   W  1 
HETATM 2680 C C35 . LIG_W  W  23 .   ? -21.175 10.808  15.209  1.00 1.58  1   W  1 
HETATM 2681 C C36 . LIG_W  W  23 .   ? -20.747 9.786   15.057  1.00 1.70  1   W  1 
HETATM 2682 C C37 . LIG_W  W  23 .   ? -20.253 8.802   14.886  1.00 1.72  1   W  1 
HETATM 2683 C C38 . LIG_W  W  23 .   ? -19.690 7.847   14.694  1.00 1.52  1   W  1 
HETATM 2684 C C39 . LIG_W  W  23 .   ? -19.061 6.950   14.466  1.00 1.61  1   W  1 
HETATM 2685 C C40 . LIG_W  W  23 .   ? -18.381 6.118   14.204  1.00 1.78  1   W  1 
HETATM 2686 C C41 . LIG_W  W  23 .   ? -17.670 5.348   13.873  1.00 1.44  1   W  1 
HETATM 2687 C C42 . LIG_W  W  23 .   ? -16.954 4.629   13.521  1.00 1.42  1   W  1 
HETATM 2688 C C43 . LIG_W  W  23 .   ? -16.236 3.929   13.163  1.00 1.28  1   W  1 
HETATM 2689 C C44 . LIG_W  W  23 .   ? -15.486 3.096   12.852  1.00 1.37  1   W  1 
HETATM 2690 C C1  . LIG_X  X  24 .   ? -23.337 4.905   -4.575  1.00 2.24  1   X  1 
HETATM 2691 C C2  . LIG_X  X  24 .   ? -23.759 4.079   -4.096  1.00 2.15  1   X  1 
HETATM 2692 C C3  . LIG_X  X  24 .   ? -23.516 2.971   -3.927  1.00 2.09  1   X  1 
HETATM 2693 C C4  . LIG_X  X  24 .   ? -22.976 1.985   -3.974  1.00 2.39  1   X  1 
HETATM 2694 C C5  . LIG_X  X  24 .   ? -22.379 1.005   -4.036  1.00 2.09  1   X  1 
HETATM 2695 C C6  . LIG_X  X  24 .   ? -21.710 0.076   -4.146  1.00 1.80  1   X  1 
HETATM 2696 C C7  . LIG_X  X  24 .   ? -21.045 -0.828  -4.236  1.00 1.78  1   X  1 
HETATM 2697 C C8  . LIG_X  X  24 .   ? -20.334 -1.701  -4.330  1.00 1.69  1   X  1 
HETATM 2698 C C9  . LIG_X  X  24 .   ? -19.627 -2.551  -4.392  1.00 1.75  1   X  1 
HETATM 2699 C C10 . LIG_X  X  24 .   ? -18.873 -3.419  -4.488  1.00 1.85  1   X  1 
HETATM 2700 C C11 . LIG_X  X  24 .   ? -18.154 -4.260  -4.596  1.00 1.68  1   X  1 
HETATM 2701 C C12 . LIG_X  X  24 .   ? -17.425 -5.123  -4.774  1.00 1.78  1   X  1 
HETATM 2702 C C13 . LIG_X  X  24 .   ? -16.709 -5.961  -4.958  1.00 1.39  1   X  1 
HETATM 2703 C C14 . LIG_X  X  24 .   ? -15.993 -6.795  -5.277  1.00 1.40  1   X  1 
HETATM 2704 C C15 . LIG_X  X  24 .   ? -15.317 -7.622  -5.516  1.00 1.36  1   X  1 
HETATM 2705 C C16 . LIG_X  X  24 .   ? -14.642 -8.465  -5.988  1.00 1.37  1   X  1 
HETATM 2706 C C17 . LIG_X  X  24 .   ? -14.009 -9.349  -6.076  1.00 1.27  1   X  1 
HETATM 2707 C C18 . LIG_X  X  24 .   ? -13.391 -10.236 -6.812  1.00 1.33  1   X  1 
HETATM 2708 O O1  . LIG_X  X  24 .   ? -12.868 -11.178 -6.322  1.00 1.90  1   X  1 
HETATM 2709 O O2  . LIG_X  X  24 .   ? -13.422 -10.008 -8.010  1.00 1.73  1   X  1 
HETATM 2710 C C19 . LIG_X  X  24 .   ? -12.884 -10.876 -8.851  1.00 1.28  1   X  1 
HETATM 2711 C C20 . LIG_X  X  24 .   ? -13.169 -10.445 -10.228 1.00 1.30  1   X  1 
HETATM 2712 C C21 . LIG_X  X  24 .   ? -12.608 -11.371 -11.251 1.00 1.34  1   X  1 
HETATM 2713 O O3  . LIG_X  X  24 .   ? -12.817 -12.647 -10.890 1.00 1.44  1   X  1 
HETATM 2714 P P1  . LIG_X  X  24 .   ? -13.423 -13.705 -11.866 1.00 1.26  1   X  1 
HETATM 2715 O O4  . LIG_X  X  24 .   ? -13.176 -14.998 -11.281 1.00 1.22  1   X  1 
HETATM 2716 O O5  . LIG_X  X  24 .   ? -13.048 -13.469 -13.194 1.00 1.24  1   X  1 
HETATM 2717 O O6  . LIG_X  X  24 .   ? -14.879 -13.307 -11.651 1.00 1.41  1   X  1 
HETATM 2718 C C22 . LIG_X  X  24 .   ? -15.931 -13.928 -11.790 1.00 1.44  1   X  1 
HETATM 2719 C C23 . LIG_X  X  24 .   ? -16.978 -13.179 -11.278 1.00 1.41  1   X  1 
HETATM 2720 N N1  . LIG_X  X  24 .   ? -18.242 -13.475 -11.611 1.00 2.19  1   X  1 
HETATM 2721 C C24 . LIG_X  X  24 .   ? -18.373 -13.556 -13.024 1.00 1.44  1   X  1 
HETATM 2722 C C25 . LIG_X  X  24 .   ? -18.643 -14.680 -11.021 1.00 1.54  1   X  1 
HETATM 2723 C C26 . LIG_X  X  24 .   ? -19.011 -12.415 -11.131 1.00 1.50  1   X  1 
HETATM 2724 O O7  . LIG_X  X  24 .   ? -12.582 -9.193  -10.407 1.00 1.53  1   X  1 
HETATM 2725 C C27 . LIG_X  X  24 .   ? -13.417 -8.260  -10.530 1.00 1.61  1   X  1 
HETATM 2726 O O8  . LIG_X  X  24 .   ? -14.552 -8.510  -10.854 1.00 1.62  1   X  1 
HETATM 2727 C C28 . LIG_X  X  24 .   ? -13.055 -7.020  -10.227 1.00 1.47  1   X  1 
HETATM 2728 C C29 . LIG_X  X  24 .   ? -13.702 -6.171  -9.673  1.00 1.58  1   X  1 
HETATM 2729 C C30 . LIG_X  X  24 .   ? -14.145 -5.306  -9.123  1.00 1.62  1   X  1 
HETATM 2730 C C31 . LIG_X  X  24 .   ? -14.675 -4.439  -8.589  1.00 1.60  1   X  1 
HETATM 2731 C C32 . LIG_X  X  24 .   ? -15.166 -3.563  -8.096  1.00 1.84  1   X  1 
HETATM 2732 C C33 . LIG_X  X  24 .   ? -15.696 -2.650  -7.647  1.00 1.66  1   X  1 
HETATM 2733 C C34 . LIG_X  X  24 .   ? -16.227 -1.723  -7.249  1.00 1.61  1   X  1 
HETATM 2734 C C35 . LIG_X  X  24 .   ? -16.783 -0.778  -6.888  1.00 1.69  1   X  1 
HETATM 2735 C C36 . LIG_X  X  24 .   ? -17.362 0.175   -6.595  1.00 1.77  1   X  1 
HETATM 2736 C C37 . LIG_X  X  24 .   ? -17.972 1.136   -6.381  1.00 1.80  1   X  1 
HETATM 2737 C C38 . LIG_X  X  24 .   ? -18.609 2.097   -6.219  1.00 1.53  1   X  1 
HETATM 2738 C C39 . LIG_X  X  24 .   ? -19.279 3.053   -6.087  1.00 1.68  1   X  1 
HETATM 2739 C C40 . LIG_X  X  24 .   ? -19.984 3.959   -5.965  1.00 1.87  1   X  1 
HETATM 2740 C C41 . LIG_X  X  24 .   ? -20.734 4.834   -5.866  1.00 1.55  1   X  1 
HETATM 2741 C C42 . LIG_X  X  24 .   ? -21.493 5.629   -5.767  1.00 1.56  1   X  1 
HETATM 2742 C C43 . LIG_X  X  24 .   ? -22.232 6.457   -5.698  1.00 1.33  1   X  1 
HETATM 2743 C C44 . LIG_X  X  24 .   ? -22.986 7.376   -5.655  1.00 1.40  1   X  1 
HETATM 2744 C C1  . LIG_Y  Y  25 .   ? -15.342 -0.854  15.233  1.00 2.19  1   Y  1 
HETATM 2745 C C2  . LIG_Y  Y  25 .   ? -15.521 -1.053  16.266  1.00 2.02  1   Y  1 
HETATM 2746 C C3  . LIG_Y  Y  25 .   ? -14.915 -1.631  16.991  1.00 1.98  1   Y  1 
HETATM 2747 C C4  . LIG_Y  Y  25 .   ? -14.004 -2.139  17.252  1.00 2.23  1   Y  1 
HETATM 2748 C C5  . LIG_Y  Y  25 .   ? -13.043 -2.653  17.352  1.00 1.97  1   Y  1 
HETATM 2749 C C6  . LIG_Y  Y  25 .   ? -12.062 -3.117  17.193  1.00 1.81  1   Y  1 
HETATM 2750 C C7  . LIG_Y  Y  25 .   ? -11.113 -3.592  16.992  1.00 1.78  1   Y  1 
HETATM 2751 C C8  . LIG_Y  Y  25 .   ? -10.174 -4.090  16.759  1.00 1.69  1   Y  1 
HETATM 2752 C C9  . LIG_Y  Y  25 .   ? -9.309  -4.672  16.522  1.00 1.75  1   Y  1 
HETATM 2753 C C10 . LIG_Y  Y  25 .   ? -8.457  -5.343  16.289  1.00 1.82  1   Y  1 
HETATM 2754 C C11 . LIG_Y  Y  25 .   ? -7.671  -6.067  16.133  1.00 1.75  1   Y  1 
HETATM 2755 C C12 . LIG_Y  Y  25 .   ? -6.890  -6.843  15.965  1.00 1.81  1   Y  1 
HETATM 2756 C C13 . LIG_Y  Y  25 .   ? -6.137  -7.628  15.864  1.00 1.44  1   Y  1 
HETATM 2757 C C14 . LIG_Y  Y  25 .   ? -5.395  -8.451  15.662  1.00 1.41  1   Y  1 
HETATM 2758 C C15 . LIG_Y  Y  25 .   ? -4.700  -9.265  15.545  1.00 1.38  1   Y  1 
HETATM 2759 C C16 . LIG_Y  Y  25 .   ? -4.006  -10.155 15.307  1.00 1.40  1   Y  1 
HETATM 2760 C C17 . LIG_Y  Y  25 .   ? -3.442  -11.013 15.304  1.00 1.28  1   Y  1 
HETATM 2761 C C18 . LIG_Y  Y  25 .   ? -2.730  -12.021 14.964  1.00 1.30  1   Y  1 
HETATM 2762 O O1  . LIG_Y  Y  25 .   ? -2.278  -12.741 15.778  1.00 1.82  1   Y  1 
HETATM 2763 O O2  . LIG_Y  Y  25 .   ? -2.589  -12.159 13.754  1.00 1.69  1   Y  1 
HETATM 2764 C C19 . LIG_Y  Y  25 .   ? -1.745  -13.087 13.343  1.00 1.25  1   Y  1 
HETATM 2765 C C20 . LIG_Y  Y  25 .   ? -1.541  -12.973 11.918  1.00 1.29  1   Y  1 
HETATM 2766 C C21 . LIG_Y  Y  25 .   ? -0.286  -13.571 11.431  1.00 1.31  1   Y  1 
HETATM 2767 O O3  . LIG_Y  Y  25 .   ? 0.390   -14.245 12.352  1.00 1.38  1   Y  1 
HETATM 2768 P P1  . LIG_Y  Y  25 .   ? 1.723   -14.910 11.946  1.00 1.24  1   Y  1 
HETATM 2769 O O4  . LIG_Y  Y  25 .   ? 2.469   -13.999 11.148  1.00 1.20  1   Y  1 
HETATM 2770 O O5  . LIG_Y  Y  25 .   ? 2.308   -15.532 13.039  1.00 1.21  1   Y  1 
HETATM 2771 O O6  . LIG_Y  Y  25 .   ? 1.120   -16.004 11.018  1.00 1.36  1   Y  1 
HETATM 2772 C C22 . LIG_Y  Y  25 .   ? 1.702   -16.620 10.136  1.00 1.30  1   Y  1 
HETATM 2773 C C23 . LIG_Y  Y  25 .   ? 0.940   -16.663 8.984   1.00 1.30  1   Y  1 
HETATM 2774 N N1  . LIG_Y  Y  25 .   ? 1.129   -17.779 8.244   1.00 1.83  1   Y  1 
HETATM 2775 C C24 . LIG_Y  Y  25 .   ? 0.313   -17.685 7.106   1.00 1.28  1   Y  1 
HETATM 2776 C C25 . LIG_Y  Y  25 .   ? 0.788   -18.929 9.004   1.00 1.30  1   Y  1 
HETATM 2777 C C26 . LIG_Y  Y  25 .   ? 2.485   -17.833 7.839   1.00 1.31  1   Y  1 
HETATM 2778 O O7  . LIG_Y  Y  25 .   ? -1.421  -11.635 11.624  1.00 1.49  1   Y  1 
HETATM 2779 C C27 . LIG_Y  Y  25 .   ? -2.102  -11.250 10.647  1.00 1.46  1   Y  1 
HETATM 2780 O O8  . LIG_Y  Y  25 .   ? -2.548  -12.021 9.838   1.00 1.50  1   Y  1 
HETATM 2781 C C28 . LIG_Y  Y  25 .   ? -2.336  -9.967  10.623  1.00 1.36  1   Y  1 
HETATM 2782 C C29 . LIG_Y  Y  25 .   ? -3.399  -9.458  10.777  1.00 1.46  1   Y  1 
HETATM 2783 C C30 . LIG_Y  Y  25 .   ? -4.422  -9.119  10.963  1.00 1.46  1   Y  1 
HETATM 2784 C C31 . LIG_Y  Y  25 .   ? -5.461  -8.692  11.109  1.00 1.44  1   Y  1 
HETATM 2785 C C32 . LIG_Y  Y  25 .   ? -6.466  -8.279  11.235  1.00 1.66  1   Y  1 
HETATM 2786 C C33 . LIG_Y  Y  25 .   ? -7.478  -7.789  11.320  1.00 1.57  1   Y  1 
HETATM 2787 C C34 . LIG_Y  Y  25 .   ? -8.456  -7.252  11.377  1.00 1.55  1   Y  1 
HETATM 2788 C C35 . LIG_Y  Y  25 .   ? -9.387  -6.628  11.412  1.00 1.56  1   Y  1 
HETATM 2789 C C36 . LIG_Y  Y  25 .   ? -10.263 -5.929  11.488  1.00 1.63  1   Y  1 
HETATM 2790 C C37 . LIG_Y  Y  25 .   ? -11.092 -5.163  11.633  1.00 1.66  1   Y  1 
HETATM 2791 C C38 . LIG_Y  Y  25 .   ? -11.872 -4.358  11.814  1.00 1.48  1   Y  1 
HETATM 2792 C C39 . LIG_Y  Y  25 .   ? -12.645 -3.536  12.079  1.00 1.56  1   Y  1 
HETATM 2793 C C40 . LIG_Y  Y  25 .   ? -13.364 -2.731  12.411  1.00 1.70  1   Y  1 
HETATM 2794 C C41 . LIG_Y  Y  25 .   ? -14.070 -1.940  12.787  1.00 1.44  1   Y  1 
HETATM 2795 C C42 . LIG_Y  Y  25 .   ? -14.753 -1.204  13.166  1.00 1.44  1   Y  1 
HETATM 2796 C C43 . LIG_Y  Y  25 .   ? -15.431 -0.438  13.500  1.00 1.28  1   Y  1 
HETATM 2797 C C44 . LIG_Y  Y  25 .   ? -16.197 0.406   13.793  1.00 1.36  1   Y  1 
HETATM 2798 C C1  . LIG_Z  Z  26 .   ? -15.387 3.190   5.380   1.00 2.03  1   Z  1 
HETATM 2799 C C2  . LIG_Z  Z  26 .   ? -15.993 2.994   4.498   1.00 1.93  1   Z  1 
HETATM 2800 C C3  . LIG_Z  Z  26 .   ? -15.912 2.157   3.722   1.00 1.80  1   Z  1 
HETATM 2801 C C4  . LIG_Z  Z  26 .   ? -15.384 1.203   3.434   1.00 2.09  1   Z  1 
HETATM 2802 C C5  . LIG_Z  Z  26 .   ? -14.850 0.257   3.155   1.00 1.96  1   Z  1 
HETATM 2803 C C6  . LIG_Z  Z  26 .   ? -14.247 -0.685  2.971   1.00 1.75  1   Z  1 
HETATM 2804 C C7  . LIG_Z  Z  26 .   ? -13.656 -1.603  2.778   1.00 1.77  1   Z  1 
HETATM 2805 C C8  . LIG_Z  Z  26 .   ? -13.040 -2.508  2.578   1.00 1.74  1   Z  1 
HETATM 2806 C C9  . LIG_Z  Z  26 .   ? -12.462 -3.410  2.350   1.00 1.79  1   Z  1 
HETATM 2807 C C10 . LIG_Z  Z  26 .   ? -11.857 -4.335  2.066   1.00 1.89  1   Z  1 
HETATM 2808 C C11 . LIG_Z  Z  26 .   ? -11.283 -5.221  1.728   1.00 1.83  1   Z  1 
HETATM 2809 C C12 . LIG_Z  Z  26 .   ? -10.677 -6.125  1.377   1.00 1.95  1   Z  1 
HETATM 2810 C C13 . LIG_Z  Z  26 .   ? -10.127 -7.002  0.963   1.00 1.47  1   Z  1 
HETATM 2811 C C14 . LIG_Z  Z  26 .   ? -9.499  -7.855  0.537   1.00 1.48  1   Z  1 
HETATM 2812 C C15 . LIG_Z  Z  26 .   ? -9.019  -8.706  0.043   1.00 1.47  1   Z  1 
HETATM 2813 C C16 . LIG_Z  Z  26 .   ? -8.308  -9.492  -0.460  1.00 1.47  1   Z  1 
HETATM 2814 C C17 . LIG_Z  Z  26 .   ? -8.002  -10.313 -1.130  1.00 1.35  1   Z  1 
HETATM 2815 C C18 . LIG_Z  Z  26 .   ? -7.059  -11.046 -1.641  1.00 1.46  1   Z  1 
HETATM 2816 O O1  . LIG_Z  Z  26 .   ? -7.266  -11.666 -2.618  1.00 2.05  1   Z  1 
HETATM 2817 O O2  . LIG_Z  Z  26 .   ? -5.957  -10.990 -1.065  1.00 1.91  1   Z  1 
HETATM 2818 C C19 . LIG_Z  Z  26 .   ? -4.935  -11.655 -1.592  1.00 1.40  1   Z  1 
HETATM 2819 C C20 . LIG_Z  Z  26 .   ? -3.659  -11.031 -1.285  1.00 1.48  1   Z  1 
HETATM 2820 C C21 . LIG_Z  Z  26 .   ? -2.549  -11.990 -1.171  1.00 1.52  1   Z  1 
HETATM 2821 O O3  . LIG_Z  Z  26 .   ? -2.709  -13.037 -1.939  1.00 1.70  1   Z  1 
HETATM 2822 P P1  . LIG_Z  Z  26 .   ? -1.475  -13.717 -2.559  1.00 1.49  1   Z  1 
HETATM 2823 O O4  . LIG_Z  Z  26 .   ? -0.322  -12.917 -2.271  1.00 1.56  1   Z  1 
HETATM 2824 O O5  . LIG_Z  Z  26 .   ? -1.805  -14.179 -3.820  1.00 1.58  1   Z  1 
HETATM 2825 O O6  . LIG_Z  Z  26 .   ? -1.300  -14.986 -1.669  1.00 1.67  1   Z  1 
HETATM 2826 C C22 . LIG_Z  Z  26 .   ? -0.223  -15.609 -1.782  1.00 1.68  1   Z  1 
HETATM 2827 C C23 . LIG_Z  Z  26 .   ? -0.181  -16.871 -1.247  1.00 1.55  1   Z  1 
HETATM 2828 N N1  . LIG_Z  Z  26 .   ? 0.981   -17.164 -0.547  1.00 2.37  1   Z  1 
HETATM 2829 C C24 . LIG_Z  Z  26 .   ? 1.030   -18.565 -0.334  1.00 1.55  1   Z  1 
HETATM 2830 C C25 . LIG_Z  Z  26 .   ? 0.955   -16.477 0.684   1.00 1.64  1   Z  1 
HETATM 2831 C C26 . LIG_Z  Z  26 .   ? 2.115   -16.768 -1.286  1.00 1.78  1   Z  1 
HETATM 2832 O O7  . LIG_Z  Z  26 .   ? -3.713  -10.433 -0.037  1.00 1.68  1   Z  1 
HETATM 2833 C C27 . LIG_Z  Z  26 .   ? -3.694  -9.169  -0.047  1.00 1.74  1   Z  1 
HETATM 2834 O O8  . LIG_Z  Z  26 .   ? -3.573  -8.550  -1.068  1.00 1.75  1   Z  1 
HETATM 2835 C C28 . LIG_Z  Z  26 .   ? -3.890  -8.590  1.128   1.00 1.53  1   Z  1 
HETATM 2836 C C29 . LIG_Z  Z  26 .   ? -4.628  -7.719  1.408   1.00 1.66  1   Z  1 
HETATM 2837 C C30 . LIG_Z  Z  26 .   ? -5.184  -6.980  2.042   1.00 1.63  1   Z  1 
HETATM 2838 C C31 . LIG_Z  Z  26 .   ? -5.881  -6.201  2.468   1.00 1.55  1   Z  1 
HETATM 2839 C C32 . LIG_Z  Z  26 .   ? -6.499  -5.447  3.008   1.00 1.74  1   Z  1 
HETATM 2840 C C33 . LIG_Z  Z  26 .   ? -7.172  -4.664  3.466   1.00 1.58  1   Z  1 
HETATM 2841 C C34 . LIG_Z  Z  26 .   ? -7.835  -3.872  3.932   1.00 1.58  1   Z  1 
HETATM 2842 C C35 . LIG_Z  Z  26 .   ? -8.518  -3.073  4.349   1.00 1.58  1   Z  1 
HETATM 2843 C C36 . LIG_Z  Z  26 .   ? -9.219  -2.246  4.731   1.00 1.68  1   Z  1 
HETATM 2844 C C37 . LIG_Z  Z  26 .   ? -9.939  -1.418  5.077   1.00 1.67  1   Z  1 
HETATM 2845 C C38 . LIG_Z  Z  26 .   ? -10.657 -0.574  5.421   1.00 1.52  1   Z  1 
HETATM 2846 C C39 . LIG_Z  Z  26 .   ? -11.385 0.271   5.756   1.00 1.59  1   Z  1 
HETATM 2847 C C40 . LIG_Z  Z  26 .   ? -12.096 1.103   6.081   1.00 1.68  1   Z  1 
HETATM 2848 C C41 . LIG_Z  Z  26 .   ? -12.824 1.915   6.388   1.00 1.45  1   Z  1 
HETATM 2849 C C42 . LIG_Z  Z  26 .   ? -13.486 2.666   6.743   1.00 1.41  1   Z  1 
HETATM 2850 C C43 . LIG_Z  Z  26 .   ? -14.089 3.433   7.208   1.00 1.28  1   Z  1 
HETATM 2851 C C44 . LIG_Z  Z  26 .   ? -14.596 4.245   7.848   1.00 1.34  1   Z  1 
HETATM 2852 C C1  . LIG_AA AA 27 .   ? -9.446  1.096   24.142  1.00 2.16  1   AA 1 
HETATM 2853 C C2  . LIG_AA AA 27 .   ? -10.113 1.340   23.256  1.00 2.09  1   AA 1 
HETATM 2854 C C3  . LIG_AA AA 27 .   ? -10.023 0.882   22.217  1.00 1.98  1   AA 1 
HETATM 2855 C C4  . LIG_AA AA 27 .   ? -9.479  0.112   21.622  1.00 2.27  1   AA 1 
HETATM 2856 C C5  . LIG_AA AA 27 .   ? -8.901  -0.661  21.082  1.00 2.02  1   AA 1 
HETATM 2857 C C6  . LIG_AA AA 27 .   ? -8.190  -1.456  20.717  1.00 1.79  1   AA 1 
HETATM 2858 C C7  . LIG_AA AA 27 .   ? -7.428  -2.222  20.511  1.00 1.78  1   AA 1 
HETATM 2859 C C8  . LIG_AA AA 27 .   ? -6.620  -2.975  20.380  1.00 1.72  1   AA 1 
HETATM 2860 C C9  . LIG_AA AA 27 .   ? -5.816  -3.714  20.237  1.00 1.73  1   AA 1 
HETATM 2861 C C10 . LIG_AA AA 27 .   ? -4.967  -4.470  20.082  1.00 1.84  1   AA 1 
HETATM 2862 C C11 . LIG_AA AA 27 .   ? -4.135  -5.189  19.873  1.00 1.71  1   AA 1 
HETATM 2863 C C12 . LIG_AA AA 27 .   ? -3.321  -5.956  19.648  1.00 1.82  1   AA 1 
HETATM 2864 C C13 . LIG_AA AA 27 .   ? -2.512  -6.682  19.377  1.00 1.42  1   AA 1 
HETATM 2865 C C14 . LIG_AA AA 27 .   ? -1.747  -7.488  19.133  1.00 1.38  1   AA 1 
HETATM 2866 C C15 . LIG_AA AA 27 .   ? -0.991  -8.214  18.796  1.00 1.34  1   AA 1 
HETATM 2867 C C16 . LIG_AA AA 27 .   ? -0.334  -9.140  18.551  1.00 1.36  1   AA 1 
HETATM 2868 C C17 . LIG_AA AA 27 .   ? 0.477   -9.771  18.165  1.00 1.27  1   AA 1 
HETATM 2869 C C18 . LIG_AA AA 27 .   ? 0.947   -10.998 18.110  1.00 1.34  1   AA 1 
HETATM 2870 O O1  . LIG_AA AA 27 .   ? 0.250   -11.933 17.933  1.00 1.86  1   AA 1 
HETATM 2871 O O2  . LIG_AA AA 27 .   ? 2.160   -11.058 18.278  1.00 1.77  1   AA 1 
HETATM 2872 C C19 . LIG_AA AA 27 .   ? 2.671   -12.253 18.498  1.00 1.25  1   AA 1 
HETATM 2873 C C20 . LIG_AA AA 27 .   ? 3.979   -12.125 19.119  1.00 1.29  1   AA 1 
HETATM 2874 C C21 . LIG_AA AA 27 .   ? 4.643   -13.464 19.197  1.00 1.33  1   AA 1 
HETATM 2875 O O3  . LIG_AA AA 27 .   ? 5.895   -13.336 18.745  1.00 1.40  1   AA 1 
HETATM 2876 P P1  . LIG_AA AA 27 .   ? 6.704   -14.558 18.297  1.00 1.22  1   AA 1 
HETATM 2877 O O4  . LIG_AA AA 27 .   ? 7.899   -14.076 17.693  1.00 1.20  1   AA 1 
HETATM 2878 O O5  . LIG_AA AA 27 .   ? 6.758   -15.529 19.317  1.00 1.19  1   AA 1 
HETATM 2879 O O6  . LIG_AA AA 27 .   ? 5.709   -15.056 17.196  1.00 1.37  1   AA 1 
HETATM 2880 C C22 . LIG_AA AA 27 .   ? 5.954   -15.789 16.196  1.00 1.33  1   AA 1 
HETATM 2881 C C23 . LIG_AA AA 27 .   ? 4.762   -16.084 15.525  1.00 1.32  1   AA 1 
HETATM 2882 N N1  . LIG_AA AA 27 .   ? 4.017   -17.171 15.990  1.00 1.95  1   AA 1 
HETATM 2883 C C24 . LIG_AA AA 27 .   ? 2.664   -16.838 15.868  1.00 1.34  1   AA 1 
HETATM 2884 C C25 . LIG_AA AA 27 .   ? 4.332   -18.290 15.194  1.00 1.36  1   AA 1 
HETATM 2885 C C26 . LIG_AA AA 27 .   ? 4.291   -17.477 17.341  1.00 1.39  1   AA 1 
HETATM 2886 O O7  . LIG_AA AA 27 .   ? 3.843   -11.651 20.427  1.00 1.54  1   AA 1 
HETATM 2887 C C27 . LIG_AA AA 27 .   ? 4.351   -10.512 20.681  1.00 1.44  1   AA 1 
HETATM 2888 O O8  . LIG_AA AA 27 .   ? 5.002   -9.924  19.859  1.00 1.52  1   AA 1 
HETATM 2889 C C28 . LIG_AA AA 27 .   ? 4.050   -9.999  21.877  1.00 1.34  1   AA 1 
HETATM 2890 C C29 . LIG_AA AA 27 .   ? 3.538   -8.919  22.063  1.00 1.48  1   AA 1 
HETATM 2891 C C30 . LIG_AA AA 27 .   ? 2.945   -7.976  21.960  1.00 1.47  1   AA 1 
HETATM 2892 C C31 . LIG_AA AA 27 .   ? 2.338   -6.993  22.005  1.00 1.46  1   AA 1 
HETATM 2893 C C32 . LIG_AA AA 27 .   ? 1.685   -6.102  22.029  1.00 1.64  1   AA 1 
HETATM 2894 C C33 . LIG_AA AA 27 .   ? 0.987   -5.216  22.152  1.00 1.56  1   AA 1 
HETATM 2895 C C34 . LIG_AA AA 27 .   ? 0.242   -4.383  22.318  1.00 1.55  1   AA 1 
HETATM 2896 C C35 . LIG_AA AA 27 .   ? -0.569  -3.620  22.595  1.00 1.58  1   AA 1 
HETATM 2897 C C36 . LIG_AA AA 27 .   ? -1.440  -2.942  22.934  1.00 1.69  1   AA 1 
HETATM 2898 C C37 . LIG_AA AA 27 .   ? -2.350  -2.330  23.346  1.00 1.68  1   AA 1 
HETATM 2899 C C38 . LIG_AA AA 27 .   ? -3.276  -1.764  23.776  1.00 1.50  1   AA 1 
HETATM 2900 C C39 . LIG_AA AA 27 .   ? -4.224  -1.216  24.232  1.00 1.65  1   AA 1 
HETATM 2901 C C40 . LIG_AA AA 27 .   ? -5.180  -0.702  24.670  1.00 1.79  1   AA 1 
HETATM 2902 C C41 . LIG_AA AA 27 .   ? -6.148  -0.200  25.098  1.00 1.56  1   AA 1 
HETATM 2903 C C42 . LIG_AA AA 27 .   ? -7.059  0.265   25.529  1.00 1.58  1   AA 1 
HETATM 2904 C C43 . LIG_AA AA 27 .   ? -7.944  0.700   26.042  1.00 1.33  1   AA 1 
HETATM 2905 C C44 . LIG_AA AA 27 .   ? -8.834  1.144   26.726  1.00 1.41  1   AA 1 
HETATM 2906 C C1  . LIG_BA BA 28 .   ? -1.711  17.842  20.751  1.00 2.03  1   BA 1 
HETATM 2907 C C2  . LIG_BA BA 28 .   ? -0.921  18.123  20.322  1.00 2.17  1   BA 1 
HETATM 2908 C C3  . LIG_BA BA 28 .   ? -0.016  17.881  19.716  1.00 2.16  1   BA 1 
HETATM 2909 C C4  . LIG_BA BA 28 .   ? 0.724   17.385  19.074  1.00 2.53  1   BA 1 
HETATM 2910 C C5  . LIG_BA BA 28 .   ? 1.449   16.871  18.385  1.00 2.25  1   BA 1 
HETATM 2911 C C6  . LIG_BA BA 28 .   ? 2.076   16.275  17.682  1.00 2.06  1   BA 1 
HETATM 2912 C C7  . LIG_BA BA 28 .   ? 2.656   15.668  16.952  1.00 2.11  1   BA 1 
HETATM 2913 C C8  . LIG_BA BA 28 .   ? 3.255   15.096  16.219  1.00 2.00  1   BA 1 
HETATM 2914 C C9  . LIG_BA BA 28 .   ? 3.864   14.576  15.464  1.00 2.18  1   BA 1 
HETATM 2915 C C10 . LIG_BA BA 28 .   ? 4.541   14.099  14.681  1.00 2.37  1   BA 1 
HETATM 2916 C C11 . LIG_BA BA 28 .   ? 5.277   13.669  13.971  1.00 2.23  1   BA 1 
HETATM 2917 C C12 . LIG_BA BA 28 .   ? 6.085   13.235  13.293  1.00 2.70  1   BA 1 
HETATM 2918 C C13 . LIG_BA BA 28 .   ? 6.949   12.850  12.693  1.00 1.88  1   BA 1 
HETATM 2919 C C14 . LIG_BA BA 28 .   ? 7.840   12.433  12.101  1.00 1.90  1   BA 1 
HETATM 2920 C C15 . LIG_BA BA 28 .   ? 8.742   12.042  11.598  1.00 1.97  1   BA 1 
HETATM 2921 C C16 . LIG_BA BA 28 .   ? 9.649   11.611  11.009  1.00 2.15  1   BA 1 
HETATM 2922 C C17 . LIG_BA BA 28 .   ? 10.586  11.179  10.705  1.00 1.80  1   BA 1 
HETATM 2923 C C18 . LIG_BA BA 28 .   ? 11.421  10.640  9.880   1.00 2.34  1   BA 1 
HETATM 2924 O O1  . LIG_BA BA 28 .   ? 11.581  11.073  8.802   1.00 3.42  1   BA 1 
HETATM 2925 O O2  . LIG_BA BA 28 .   ? 11.978  9.641   10.332  1.00 3.09  1   BA 1 
HETATM 2926 C C19 . LIG_BA BA 28 .   ? 12.683  8.896   9.490   1.00 2.27  1   BA 1 
HETATM 2927 C C20 . LIG_BA BA 28 .   ? 13.110  7.675   10.141  1.00 2.44  1   BA 1 
HETATM 2928 C C21 . LIG_BA BA 28 .   ? 13.888  6.816   9.215   1.00 2.51  1   BA 1 
HETATM 2929 O O3  . LIG_BA BA 28 .   ? 15.106  6.733   9.724   1.00 2.46  1   BA 1 
HETATM 2930 P P1  . LIG_BA BA 28 .   ? 16.148  5.685   9.325   1.00 2.20  1   BA 1 
HETATM 2931 O O4  . LIG_BA BA 28 .   ? 17.375  6.105   9.951   1.00 1.94  1   BA 1 
HETATM 2932 O O5  . LIG_BA BA 28 .   ? 15.709  4.371   9.540   1.00 2.24  1   BA 1 
HETATM 2933 O O6  . LIG_BA BA 28 .   ? 16.281  5.927   7.797   1.00 2.70  1   BA 1 
HETATM 2934 C C22 . LIG_BA BA 28 .   ? 17.185  6.723   7.393   1.00 3.28  1   BA 1 
HETATM 2935 C C23 . LIG_BA BA 28 .   ? 17.368  6.748   6.090   1.00 4.03  1   BA 1 
HETATM 2936 N N1  . LIG_BA BA 28 .   ? 16.744  6.080   5.407   1.00 7.94  1   BA 1 
HETATM 2937 O O7  . LIG_BA BA 28 .   ? 12.013  6.926   10.546  1.00 2.35  1   BA 1 
HETATM 2938 C C24 . LIG_BA BA 28 .   ? 11.949  6.661   11.775  1.00 1.90  1   BA 1 
HETATM 2939 O O8  . LIG_BA BA 28 .   ? 12.891  6.795   12.498  1.00 2.05  1   BA 1 
HETATM 2940 C C25 . LIG_BA BA 28 .   ? 10.765  6.309   12.234  1.00 1.92  1   BA 1 
HETATM 2941 C C26 . LIG_BA BA 28 .   ? 10.081  6.892   12.992  1.00 2.36  1   BA 1 
HETATM 2942 C C27 . LIG_BA BA 28 .   ? 9.193   7.258   13.540  1.00 2.51  1   BA 1 
HETATM 2943 C C28 . LIG_BA BA 28 .   ? 8.429   7.814   14.174  1.00 2.00  1   BA 1 
HETATM 2944 C C29 . LIG_BA BA 28 .   ? 7.592   8.286   14.760  1.00 2.05  1   BA 1 
HETATM 2945 C C30 . LIG_BA BA 28 .   ? 6.781   8.806   15.370  1.00 1.96  1   BA 1 
HETATM 2946 C C31 . LIG_BA BA 28 .   ? 5.937   9.308   15.930  1.00 1.91  1   BA 1 
HETATM 2947 C C32 . LIG_BA BA 28 .   ? 5.095   9.794   16.487  1.00 2.21  1   BA 1 
HETATM 2948 C C33 . LIG_BA BA 28 .   ? 4.241   10.288  17.030  1.00 1.83  1   BA 1 
HETATM 2949 C C34 . LIG_BA BA 28 .   ? 3.369   10.792  17.582  1.00 1.80  1   BA 1 
HETATM 2950 C C35 . LIG_BA BA 28 .   ? 2.509   11.305  18.142  1.00 1.82  1   BA 1 
HETATM 2951 C C36 . LIG_BA BA 28 .   ? 1.658   11.866  18.704  1.00 1.88  1   BA 1 
HETATM 2952 C C37 . LIG_BA BA 28 .   ? 0.834   12.454  19.268  1.00 1.85  1   BA 1 
HETATM 2953 C C38 . LIG_BA BA 28 .   ? 0.054   13.109  19.829  1.00 1.53  1   BA 1 
HETATM 2954 C C39 . LIG_BA BA 28 .   ? -0.672  13.823  20.353  1.00 1.54  1   BA 1 
HETATM 2955 C C40 . LIG_BA BA 28 .   ? -1.310  14.590  20.830  1.00 1.74  1   BA 1 
HETATM 2956 C C41 . LIG_BA BA 28 .   ? -1.937  15.398  21.288  1.00 1.45  1   BA 1 
HETATM 2957 C C1  . LIG_AB AB 29 .   ? -23.939 -0.109  3.651   1.00 2.29  1   AB 1 
HETATM 2958 C C2  . LIG_AB AB 29 .   ? -24.677 0.281   3.280   1.00 2.20  1   AB 1 
HETATM 2959 C C3  . LIG_AB AB 29 .   ? -25.572 0.817   3.222   1.00 2.08  1   AB 1 
HETATM 2960 C C4  . LIG_AB AB 29 .   ? -26.497 1.281   3.232   1.00 2.38  1   AB 1 
HETATM 2961 C C5  . LIG_AB AB 29 .   ? -27.446 1.760   3.315   1.00 1.96  1   AB 1 
HETATM 2962 C C6  . LIG_AB AB 29 .   ? -28.330 2.198   3.677   1.00 1.75  1   AB 1 
HETATM 2963 C C7  . LIG_AB AB 29 .   ? -28.959 2.523   4.419   1.00 1.78  1   AB 1 
HETATM 2964 C C8  . LIG_AB AB 29 .   ? -29.298 2.738   5.376   1.00 1.70  1   AB 1 
HETATM 2965 C C9  . LIG_AB AB 29 .   ? -29.564 2.943   6.357   1.00 1.74  1   AB 1 
HETATM 2966 C C10 . LIG_AB AB 29 .   ? -29.942 3.204   7.329   1.00 1.81  1   AB 1 
HETATM 2967 C C11 . LIG_AB AB 29 .   ? -30.428 3.513   8.211   1.00 1.67  1   AB 1 
HETATM 2968 C C12 . LIG_AB AB 29 .   ? -30.976 3.853   9.074   1.00 1.67  1   AB 1 
HETATM 2969 C C13 . LIG_AB AB 29 .   ? -31.633 4.253   9.810   1.00 1.39  1   AB 1 
HETATM 2970 C C14 . LIG_AB AB 29 .   ? -32.244 4.687   10.594  1.00 1.35  1   AB 1 
HETATM 2971 C C15 . LIG_AB AB 29 .   ? -32.959 5.164   11.255  1.00 1.34  1   AB 1 
HETATM 2972 C C16 . LIG_AB AB 29 .   ? -33.519 5.674   12.082  1.00 1.33  1   AB 1 
HETATM 2973 C C17 . LIG_AB AB 29 .   ? -34.246 6.240   12.697  1.00 1.26  1   AB 1 
HETATM 2974 C C18 . LIG_AB AB 29 .   ? -34.391 6.792   13.815  1.00 1.29  1   AB 1 
HETATM 2975 O O1  . LIG_AB AB 29 .   ? -35.130 7.699   13.952  1.00 1.68  1   AB 1 
HETATM 2976 O O2  . LIG_AB AB 29 .   ? -33.648 6.329   14.664  1.00 1.64  1   AB 1 
HETATM 2977 C C19 . LIG_AB AB 29 .   ? -33.584 6.938   15.814  1.00 1.29  1   AB 1 
HETATM 2978 C C20 . LIG_AB AB 29 .   ? -32.644 6.257   16.690  1.00 1.32  1   AB 1 
HETATM 2979 C C21 . LIG_AB AB 29 .   ? -32.560 6.917   18.005  1.00 1.43  1   AB 1 
HETATM 2980 O O3  . LIG_AB AB 29 .   ? -33.579 6.553   18.747  1.00 1.38  1   AB 1 
HETATM 2981 P P1  . LIG_AB AB 29 .   ? -33.545 6.680   20.282  1.00 1.30  1   AB 1 
HETATM 2982 O O4  . LIG_AB AB 29 .   ? -32.658 7.724   20.676  1.00 1.25  1   AB 1 
HETATM 2983 O O5  . LIG_AB AB 29 .   ? -34.842 6.677   20.755  1.00 1.22  1   AB 1 
HETATM 2984 O O6  . LIG_AB AB 29 .   ? -32.775 5.399   20.580  1.00 1.38  1   AB 1 
HETATM 2985 C C22 . LIG_AB AB 29 .   ? -32.979 4.363   21.032  1.00 1.41  1   AB 1 
HETATM 2986 C C23 . LIG_AB AB 29 .   ? -31.897 3.736   21.618  1.00 1.39  1   AB 1 
HETATM 2987 N N1  . LIG_AB AB 29 .   ? -31.842 2.407   21.677  1.00 2.10  1   AB 1 
HETATM 2988 C C24 . LIG_AB AB 29 .   ? -30.861 1.992   22.504  1.00 1.53  1   AB 1 
HETATM 2989 C C25 . LIG_AB AB 29 .   ? -31.941 1.842   20.679  1.00 1.63  1   AB 1 
HETATM 2990 C C26 . LIG_AB AB 29 .   ? -32.623 1.832   21.674  1.00 1.67  1   AB 1 
HETATM 2991 O O7  . LIG_AB AB 29 .   ? -31.389 6.329   16.140  1.00 1.51  1   AB 1 
HETATM 2992 C C27 . LIG_AB AB 29 .   ? -30.854 5.250   15.958  1.00 1.48  1   AB 1 
HETATM 2993 O O8  . LIG_AB AB 29 .   ? -31.328 4.214   16.326  1.00 1.55  1   AB 1 
HETATM 2994 C C28 . LIG_AB AB 29 .   ? -29.758 5.292   15.300  1.00 1.31  1   AB 1 
HETATM 2995 C C29 . LIG_AB AB 29 .   ? -29.230 4.586   14.659  1.00 1.41  1   AB 1 
HETATM 2996 C C30 . LIG_AB AB 29 .   ? -28.544 4.175   13.977  1.00 1.39  1   AB 1 
HETATM 2997 C C31 . LIG_AB AB 29 .   ? -27.934 3.668   13.281  1.00 1.37  1   AB 1 
HETATM 2998 C C32 . LIG_AB AB 29 .   ? -27.267 3.269   12.583  1.00 1.52  1   AB 1 
HETATM 2999 C C33 . LIG_AB AB 29 .   ? -26.635 2.890   11.847  1.00 1.50  1   AB 1 
HETATM 3000 C C34 . LIG_AB AB 29 .   ? -25.997 2.572   11.069  1.00 1.51  1   AB 1 
HETATM 3001 C C35 . LIG_AB AB 29 .   ? -25.413 2.323   10.240  1.00 1.57  1   AB 1 
HETATM 3002 C C36 . LIG_AB AB 29 .   ? -24.871 2.119   9.373   1.00 1.73  1   AB 1 
HETATM 3003 C C37 . LIG_AB AB 29 .   ? -24.342 1.896   8.499   1.00 1.74  1   AB 1 
HETATM 3004 C C38 . LIG_AB AB 29 .   ? -23.827 1.618   7.652   1.00 1.54  1   AB 1 
HETATM 3005 C C39 . LIG_AB AB 29 .   ? -23.353 1.232   6.804   1.00 1.68  1   AB 1 
HETATM 3006 C C40 . LIG_AB AB 29 .   ? -22.945 0.708   6.020   1.00 1.77  1   AB 1 
HETATM 3007 C C41 . LIG_AB AB 29 .   ? -22.609 -0.013  5.297   1.00 1.53  1   AB 1 
HETATM 3008 C C42 . LIG_AB AB 29 .   ? -22.318 -0.762  4.690   1.00 1.50  1   AB 1 
HETATM 3009 C C43 . LIG_AB AB 29 .   ? -22.005 -1.567  4.110   1.00 1.30  1   AB 1 
HETATM 3010 C C44 . LIG_AB AB 29 .   ? -21.618 -2.437  3.584   1.00 1.36  1   AB 1 
HETATM 3011 C C1  . LIG_BB BB 30 .   ? -11.266 22.938  7.115   1.00 1.52  1   BB 1 
HETATM 3012 C C2  . LIG_BB BB 30 .   ? -11.029 21.903  6.438   1.00 1.49  1   BB 1 
HETATM 3013 C C3  . LIG_BB BB 30 .   ? -10.349 21.512  5.558   1.00 1.50  1   BB 1 
HETATM 3014 C C4  . LIG_BB BB 30 .   ? -9.767  20.533  5.150   1.00 1.62  1   BB 1 
HETATM 3015 C C5  . LIG_BB BB 30 .   ? -8.936  20.295  4.285   1.00 1.69  1   BB 1 
HETATM 3016 C C6  . LIG_BB BB 30 .   ? -8.130  19.532  4.009   1.00 1.59  1   BB 1 
HETATM 3017 C C7  . LIG_BB BB 30 .   ? -7.345  19.207  3.228   1.00 1.59  1   BB 1 
HETATM 3018 C C8  . LIG_BB BB 30 .   ? -7.032  19.399  2.185   1.00 1.86  1   BB 1 
HETATM 3019 C C9  . LIG_BB BB 30 .   ? -6.663  19.350  1.163   1.00 1.96  1   BB 1 
HETATM 3020 C C10 . LIG_BB BB 30 .   ? -6.337  19.323  0.093   1.00 2.30  1   BB 1 
HETATM 3021 C C11 . LIG_BB BB 30 .   ? -6.146  19.112  -0.926  1.00 2.44  1   BB 1 
HETATM 3022 C C12 . LIG_BB BB 30 .   ? -5.832  18.967  -2.013  1.00 3.40  1   BB 1 
HETATM 3023 C C13 . LIG_BB BB 30 .   ? -6.049  18.276  -2.967  1.00 2.76  1   BB 1 
HETATM 3024 C C14 . LIG_BB BB 30 .   ? -5.665  18.069  -4.067  1.00 2.92  1   BB 1 
HETATM 3025 C C15 . LIG_BB BB 30 .   ? -5.896  17.395  -5.044  1.00 3.10  1   BB 1 
HETATM 3026 C C16 . LIG_BB BB 30 .   ? -5.161  17.284  -6.117  1.00 3.91  1   BB 1 
HETATM 3027 C C17 . LIG_BB BB 30 .   ? -4.077  16.599  -6.062  1.00 3.52  1   BB 1 
HETATM 3028 C C18 . LIG_BB BB 30 .   ? -3.220  16.638  -7.112  1.00 4.18  1   BB 1 
HETATM 3029 O O1  . LIG_BB BB 30 .   ? -3.536  17.167  -8.142  1.00 3.68  1   BB 1 
HETATM 3030 O O2  . LIG_BB BB 30 .   ? -2.120  16.119  -6.909  1.00 4.09  1   BB 1 
HETATM 3031 C C19 . LIG_BB BB 30 .   ? -1.309  16.233  -7.939  1.00 4.54  1   BB 1 
HETATM 3032 C C20 . LIG_BB BB 30 .   ? -0.284  15.226  -7.998  1.00 7.52  1   BB 1 
HETATM 3033 C C21 . LIG_BB BB 30 .   ? -0.076  14.805  -9.420  1.00 7.06  1   BB 1 
HETATM 3034 O O3  . LIG_BB BB 30 .   ? -1.290  14.672  -10.026 1.00 7.79  1   BB 1 
HETATM 3035 P P1  . LIG_BB BB 30 .   ? -1.346  14.155  -11.504 1.00 7.99  1   BB 1 
HETATM 3036 O O4  . LIG_BB BB 30 .   ? -0.377  14.902  -12.268 1.00 7.04  1   BB 1 
HETATM 3037 O O5  . LIG_BB BB 30 .   ? -1.334  12.748  -11.504 1.00 8.06  1   BB 1 
HETATM 3038 O O6  . LIG_BB BB 30 .   ? -2.747  14.622  -11.927 1.00 7.65  1   BB 1 
HETATM 3039 C C22 . LIG_BB BB 30 .   ? -2.995  14.900  -13.122 1.00 7.49  1   BB 1 
HETATM 3040 C C23 . LIG_BB BB 30 .   ? -4.236  15.481  -13.295 1.00 6.47  1   BB 1 
HETATM 3041 N N1  . LIG_BB BB 30 .   ? -4.342  16.124  -14.406 1.00 11.08 1   BB 1 
HETATM 3042 O O7  . LIG_BB BB 30 .   ? -0.637  14.083  -7.328  1.00 4.24  1   BB 1 
HETATM 3043 C C24 . LIG_BB BB 30 .   ? 0.339   13.367  -6.916  1.00 4.08  1   BB 1 
HETATM 3044 O O8  . LIG_BB BB 30 .   ? 1.462   13.797  -6.823  1.00 2.87  1   BB 1 
HETATM 3045 C C25 . LIG_BB BB 30 .   ? -0.007  12.070  -6.515  1.00 3.72  1   BB 1 
HETATM 3046 C C26 . LIG_BB BB 30 .   ? -0.152  11.933  -5.150  1.00 4.08  1   BB 1 
HETATM 3047 C C27 . LIG_BB BB 30 .   ? -1.198  11.174  -4.815  1.00 4.52  1   BB 1 
HETATM 3048 C C28 . LIG_BB BB 30 .   ? -2.318  11.717  -4.588  1.00 3.14  1   BB 1 
HETATM 3049 C C29 . LIG_BB BB 30 .   ? -3.034  12.114  -3.796  1.00 3.18  1   BB 1 
HETATM 3050 C C30 . LIG_BB BB 30 .   ? -3.989  12.449  -3.297  1.00 3.09  1   BB 1 
HETATM 3051 C C31 . LIG_BB BB 30 .   ? -4.740  12.979  -2.665  1.00 2.65  1   BB 1 
HETATM 3052 C C32 . LIG_BB BB 30 .   ? -5.614  13.326  -2.117  1.00 2.58  1   BB 1 
HETATM 3053 C C33 . LIG_BB BB 30 .   ? -6.407  13.896  -1.624  1.00 2.02  1   BB 1 
HETATM 3054 C C34 . LIG_BB BB 30 .   ? -7.234  14.499  -1.250  1.00 1.71  1   BB 1 
HETATM 3055 C C35 . LIG_BB BB 30 .   ? -8.027  15.219  -0.970  1.00 1.69  1   BB 1 
HETATM 3056 C C36 . LIG_BB BB 30 .   ? -8.801  15.994  -0.798  1.00 1.76  1   BB 1 
HETATM 3057 C C37 . LIG_BB BB 30 .   ? -9.524  16.845  -0.724  1.00 1.76  1   BB 1 
HETATM 3058 C C38 . LIG_BB BB 30 .   ? -10.187 17.717  -0.693  1.00 1.53  1   BB 1 
HETATM 3059 C C39 . LIG_BB BB 30 .   ? -10.766 18.697  -0.563  1.00 1.41  1   BB 1 
HETATM 3060 C C40 . LIG_BB BB 30 .   ? -11.168 19.541  -0.014  1.00 1.42  1   BB 1 
HETATM 3061 C C41 . LIG_BB BB 30 .   ? -11.579 20.428  0.633   1.00 1.33  1   BB 1 
HETATM 3062 C C1  . LIG_AC AC 31 .   ? -27.701 -2.542  5.004   1.00 2.09  1   AC 1 
HETATM 3063 C C2  . LIG_AC AC 31 .   ? -27.207 -2.389  5.876   1.00 2.15  1   AC 1 
HETATM 3064 C C3  . LIG_AC AC 31 .   ? -26.301 -2.969  6.204   1.00 2.03  1   AC 1 
HETATM 3065 C C4  . LIG_AC AC 31 .   ? -25.519 -3.765  6.051   1.00 2.42  1   AC 1 
HETATM 3066 C C5  . LIG_AC AC 31 .   ? -24.740 -4.564  5.886   1.00 2.03  1   AC 1 
HETATM 3067 C C6  . LIG_AC AC 31 .   ? -24.004 -5.398  5.634   1.00 1.82  1   AC 1 
HETATM 3068 C C7  . LIG_AC AC 31 .   ? -23.284 -6.221  5.375   1.00 1.72  1   AC 1 
HETATM 3069 C C8  . LIG_AC AC 31 .   ? -22.585 -7.055  5.068   1.00 1.66  1   AC 1 
HETATM 3070 C C9  . LIG_AC AC 31 .   ? -21.915 -7.896  4.773   1.00 1.62  1   AC 1 
HETATM 3071 C C10 . LIG_AC AC 31 .   ? -21.236 -8.785  4.458   1.00 1.71  1   AC 1 
HETATM 3072 C C11 . LIG_AC AC 31 .   ? -20.604 -9.675  4.171   1.00 1.62  1   AC 1 
HETATM 3073 C C12 . LIG_AC AC 31 .   ? -19.942 -10.586 3.883   1.00 1.66  1   AC 1 
HETATM 3074 C C13 . LIG_AC AC 31 .   ? -19.316 -11.493 3.617   1.00 1.37  1   AC 1 
HETATM 3075 C C14 . LIG_AC AC 31 .   ? -18.652 -12.399 3.342   1.00 1.36  1   AC 1 
HETATM 3076 C C15 . LIG_AC AC 31 .   ? -18.055 -13.305 3.090   1.00 1.34  1   AC 1 
HETATM 3077 C C16 . LIG_AC AC 31 .   ? -17.327 -14.183 2.826   1.00 1.36  1   AC 1 
HETATM 3078 C C17 . LIG_AC AC 31 .   ? -16.884 -15.130 2.549   1.00 1.26  1   AC 1 
HETATM 3079 C C18 . LIG_AC AC 31 .   ? -15.880 -15.911 2.246   1.00 1.30  1   AC 1 
HETATM 3080 O O1  . LIG_AC AC 31 .   ? -14.800 -15.699 2.647   1.00 1.72  1   AC 1 
HETATM 3081 O O2  . LIG_AC AC 31 .   ? -16.160 -16.842 1.495   1.00 1.61  1   AC 1 
HETATM 3082 C C19 . LIG_AC AC 31 .   ? -15.180 -17.516 0.911   1.00 1.24  1   AC 1 
HETATM 3083 C C20 . LIG_AC AC 31 .   ? -15.699 -18.178 -0.302  1.00 1.27  1   AC 1 
HETATM 3084 C C21 . LIG_AC AC 31 .   ? -14.625 -18.839 -1.080  1.00 1.30  1   AC 1 
HETATM 3085 O O3  . LIG_AC AC 31 .   ? -14.128 -19.894 -0.422  1.00 1.34  1   AC 1 
HETATM 3086 P P1  . LIG_AC AC 31 .   ? -13.757 -21.202 -1.173  1.00 1.21  1   AC 1 
HETATM 3087 O O4  . LIG_AC AC 31 .   ? -13.815 -20.992 -2.581  1.00 1.19  1   AC 1 
HETATM 3088 O O5  . LIG_AC AC 31 .   ? -12.582 -21.737 -0.614  1.00 1.18  1   AC 1 
HETATM 3089 O O6  . LIG_AC AC 31 .   ? -14.946 -22.082 -0.771  1.00 1.35  1   AC 1 
HETATM 3090 C C22 . LIG_AC AC 31 .   ? -15.072 -22.713 0.315   1.00 1.31  1   AC 1 
HETATM 3091 C C23 . LIG_AC AC 31 .   ? -16.406 -22.992 0.622   1.00 1.29  1   AC 1 
HETATM 3092 N N1  . LIG_AC AC 31 .   ? -16.604 -23.975 1.557   1.00 1.92  1   AC 1 
HETATM 3093 C C24 . LIG_AC AC 31 .   ? -15.769 -23.765 2.680   1.00 1.31  1   AC 1 
HETATM 3094 C C25 . LIG_AC AC 31 .   ? -17.946 -23.934 1.933   1.00 1.41  1   AC 1 
HETATM 3095 C C26 . LIG_AC AC 31 .   ? -16.308 -25.230 0.972   1.00 1.36  1   AC 1 
HETATM 3096 O O7  . LIG_AC AC 31 .   ? -16.239 -17.218 -1.140  1.00 1.49  1   AC 1 
HETATM 3097 C C27 . LIG_AC AC 31 .   ? -17.495 -17.285 -1.297  1.00 1.42  1   AC 1 
HETATM 3098 O O8  . LIG_AC AC 31 .   ? -18.105 -18.274 -1.010  1.00 1.45  1   AC 1 
HETATM 3099 C C28 . LIG_AC AC 31 .   ? -18.072 -16.177 -1.693  1.00 1.31  1   AC 1 
HETATM 3100 C C29 . LIG_AC AC 31 .   ? -18.848 -15.458 -1.198  1.00 1.41  1   AC 1 
HETATM 3101 C C30 . LIG_AC AC 31 .   ? -19.546 -14.616 -0.943  1.00 1.39  1   AC 1 
HETATM 3102 C C31 . LIG_AC AC 31 .   ? -20.261 -13.819 -0.554  1.00 1.40  1   AC 1 
HETATM 3103 C C32 . LIG_AC AC 31 .   ? -20.965 -12.995 -0.271  1.00 1.56  1   AC 1 
HETATM 3104 C C33 . LIG_AC AC 31 .   ? -21.678 -12.159 0.018   1.00 1.50  1   AC 1 
HETATM 3105 C C34 . LIG_AC AC 31 .   ? -22.375 -11.295 0.261   1.00 1.47  1   AC 1 
HETATM 3106 C C35 . LIG_AC AC 31 .   ? -23.063 -10.411 0.507   1.00 1.54  1   AC 1 
HETATM 3107 C C36 . LIG_AC AC 31 .   ? -23.733 -9.507  0.760   1.00 1.58  1   AC 1 
HETATM 3108 C C37 . LIG_AC AC 31 .   ? -24.407 -8.605  1.023   1.00 1.62  1   AC 1 
HETATM 3109 C C38 . LIG_AC AC 31 .   ? -25.091 -7.691  1.288   1.00 1.47  1   AC 1 
HETATM 3110 C C39 . LIG_AC AC 31 .   ? -25.778 -6.764  1.576   1.00 1.68  1   AC 1 
HETATM 3111 C C40 . LIG_AC AC 31 .   ? -26.419 -5.847  1.905   1.00 1.77  1   AC 1 
HETATM 3112 C C41 . LIG_AC AC 31 .   ? -27.046 -4.921  2.248   1.00 1.57  1   AC 1 
HETATM 3113 C C42 . LIG_AC AC 31 .   ? -27.650 -4.056  2.584   1.00 1.59  1   AC 1 
HETATM 3114 C C43 . LIG_AC AC 31 .   ? -28.304 -3.197  2.836   1.00 1.34  1   AC 1 
HETATM 3115 C C44 . LIG_AC AC 31 .   ? -29.095 -2.284  3.001   1.00 1.43  1   AC 1 
HETATM 3116 C C1  . LIG_BC BC 32 .   ? -13.420 3.071   21.348  1.00 1.87  1   BC 1 
HETATM 3117 C C2  . LIG_BC BC 32 .   ? -13.463 2.746   22.231  1.00 1.94  1   BC 1 
HETATM 3118 C C3  . LIG_BC BC 32 .   ? -13.847 3.102   23.173  1.00 1.98  1   BC 1 
HETATM 3119 C C4  . LIG_BC BC 32 .   ? -14.410 3.754   23.794  1.00 2.25  1   BC 1 
HETATM 3120 C C5  . LIG_BC BC 32 .   ? -15.019 4.495   24.310  1.00 2.04  1   BC 1 
HETATM 3121 C C6  . LIG_BC BC 32 .   ? -15.650 5.355   24.627  1.00 1.81  1   BC 1 
HETATM 3122 C C7  . LIG_BC BC 32 .   ? -16.265 6.229   24.799  1.00 1.72  1   BC 1 
HETATM 3123 C C8  . LIG_BC BC 32 .   ? -16.855 7.150   24.899  1.00 1.64  1   BC 1 
HETATM 3124 C C9  . LIG_BC BC 32 .   ? -17.416 8.061   24.940  1.00 1.70  1   BC 1 
HETATM 3125 C C10 . LIG_BC BC 32 .   ? -18.014 9.018   24.968  1.00 1.75  1   BC 1 
HETATM 3126 C C11 . LIG_BC BC 32 .   ? -18.578 9.959   24.921  1.00 1.63  1   BC 1 
HETATM 3127 C C12 . LIG_BC BC 32 .   ? -19.165 10.909  24.879  1.00 1.67  1   BC 1 
HETATM 3128 C C13 . LIG_BC BC 32 .   ? -19.755 11.824  24.735  1.00 1.39  1   BC 1 
HETATM 3129 C C14 . LIG_BC BC 32 .   ? -20.383 12.751  24.675  1.00 1.35  1   BC 1 
HETATM 3130 C C15 . LIG_BC BC 32 .   ? -21.012 13.603  24.458  1.00 1.39  1   BC 1 
HETATM 3131 C C16 . LIG_BC BC 32 .   ? -21.692 14.532  24.420  1.00 1.33  1   BC 1 
HETATM 3132 C C17 . LIG_BC BC 32 .   ? -22.365 15.283  24.095  1.00 1.25  1   BC 1 
HETATM 3133 C C18 . LIG_BC BC 32 .   ? -23.121 16.309  24.265  1.00 1.29  1   BC 1 
HETATM 3134 O O1  . LIG_BC BC 32 .   ? -24.187 16.352  23.795  1.00 1.83  1   BC 1 
HETATM 3135 O O2  . LIG_BC BC 32 .   ? -22.625 17.204  24.927  1.00 1.62  1   BC 1 
HETATM 3136 C C19 . LIG_BC BC 32 .   ? -23.425 18.201  25.236  1.00 1.31  1   BC 1 
HETATM 3137 C C20 . LIG_BC BC 32 .   ? -23.457 18.389  26.680  1.00 1.29  1   BC 1 
HETATM 3138 C C21 . LIG_BC BC 32 .   ? -24.354 19.502  27.069  1.00 1.37  1   BC 1 
HETATM 3139 O O3  . LIG_BC BC 32 .   ? -24.030 20.638  26.455  1.00 1.36  1   BC 1 
HETATM 3140 P P1  . LIG_BC BC 32 .   ? -25.036 21.828  26.532  1.00 1.28  1   BC 1 
HETATM 3141 O O4  . LIG_BC BC 32 .   ? -24.305 23.010  26.281  1.00 1.21  1   BC 1 
HETATM 3142 O O5  . LIG_BC BC 32 .   ? -25.837 21.725  27.696  1.00 1.22  1   BC 1 
HETATM 3143 O O6  . LIG_BC BC 32 .   ? -25.956 21.462  25.330  1.00 1.31  1   BC 1 
HETATM 3144 C C22 . LIG_BC BC 32 .   ? -26.038 22.152  24.243  1.00 1.31  1   BC 1 
HETATM 3145 C C23 . LIG_BC BC 32 .   ? -26.848 21.535  23.372  1.00 1.30  1   BC 1 
HETATM 3146 N N1  . LIG_BC BC 32 .   ? -27.204 20.422  23.647  1.00 2.09  1   BC 1 
HETATM 3147 O O7  . LIG_BC BC 32 .   ? -22.181 18.687  27.137  1.00 1.36  1   BC 1 
HETATM 3148 C C24 . LIG_BC BC 32 .   ? -21.714 17.875  27.987  1.00 1.33  1   BC 1 
HETATM 3149 O O8  . LIG_BC BC 32 .   ? -22.415 17.103  28.572  1.00 1.45  1   BC 1 
HETATM 3150 C C25 . LIG_BC BC 32 .   ? -20.418 17.827  28.154  1.00 1.32  1   BC 1 
HETATM 3151 C C26 . LIG_BC BC 32 .   ? -19.654 16.935  27.974  1.00 1.49  1   BC 1 
HETATM 3152 C C27 . LIG_BC BC 32 .   ? -18.710 16.394  27.885  1.00 1.55  1   BC 1 
HETATM 3153 C C28 . LIG_BC BC 32 .   ? -17.939 15.628  27.613  1.00 1.38  1   BC 1 
HETATM 3154 C C29 . LIG_BC BC 32 .   ? -17.124 14.935  27.338  1.00 1.43  1   BC 1 
HETATM 3155 C C30 . LIG_BC BC 32 .   ? -16.422 14.161  26.927  1.00 1.49  1   BC 1 
HETATM 3156 C C31 . LIG_BC BC 32 .   ? -15.776 13.421  26.423  1.00 1.43  1   BC 1 
HETATM 3157 C C32 . LIG_BC BC 32 .   ? -15.235 12.681  25.816  1.00 1.64  1   BC 1 
HETATM 3158 C C33 . LIG_BC BC 32 .   ? -14.766 11.961  25.144  1.00 1.47  1   BC 1 
HETATM 3159 C C34 . LIG_BC BC 32 .   ? -14.354 11.224  24.409  1.00 1.48  1   BC 1 
HETATM 3160 C C35 . LIG_BC BC 32 .   ? -13.998 10.480  23.674  1.00 1.56  1   BC 1 
HETATM 3161 C C36 . LIG_BC BC 32 .   ? -13.686 9.685   22.935  1.00 1.65  1   BC 1 
HETATM 3162 C C37 . LIG_BC BC 32 .   ? -13.415 8.854   22.244  1.00 1.68  1   BC 1 
HETATM 3163 C C38 . LIG_BC BC 32 .   ? -13.175 7.945   21.616  1.00 1.45  1   BC 1 
HETATM 3164 C C39 . LIG_BC BC 32 .   ? -12.968 7.004   21.071  1.00 1.47  1   BC 1 
HETATM 3165 C C40 . LIG_BC BC 32 .   ? -12.785 6.043   20.675  1.00 1.55  1   BC 1 
HETATM 3166 C C41 . LIG_BC BC 32 .   ? -12.624 5.034   20.346  1.00 1.41  1   BC 1 
HETATM 3167 C C1  . LIG_AD AD 33 .   ? -24.509 -0.262  -0.391  1.00 2.19  1   AD 1 
HETATM 3168 C C2  . LIG_AD AD 33 .   ? -23.623 0.142   -0.065  1.00 2.15  1   AD 1 
HETATM 3169 C C3  . LIG_AD AD 33 .   ? -22.544 -0.045  0.156   1.00 2.12  1   AD 1 
HETATM 3170 C C4  . LIG_AD AD 33 .   ? -21.504 -0.415  0.289   1.00 2.34  1   AD 1 
HETATM 3171 C C5  . LIG_AD AD 33 .   ? -20.449 -0.856  0.380   1.00 1.97  1   AD 1 
HETATM 3172 C C6  . LIG_AD AD 33 .   ? -19.440 -1.392  0.394   1.00 1.76  1   AD 1 
HETATM 3173 C C7  . LIG_AD AD 33 .   ? -18.468 -1.969  0.346   1.00 1.73  1   AD 1 
HETATM 3174 C C8  . LIG_AD AD 33 .   ? -17.556 -2.615  0.214   1.00 1.64  1   AD 1 
HETATM 3175 C C9  . LIG_AD AD 33 .   ? -16.702 -3.291  -0.005  1.00 1.72  1   AD 1 
HETATM 3176 C C10 . LIG_AD AD 33 .   ? -15.883 -4.046  -0.313  1.00 1.84  1   AD 1 
HETATM 3177 C C11 . LIG_AD AD 33 .   ? -15.170 -4.821  -0.700  1.00 1.71  1   AD 1 
HETATM 3178 C C12 . LIG_AD AD 33 .   ? -14.502 -5.673  -1.081  1.00 1.81  1   AD 1 
HETATM 3179 C C13 . LIG_AD AD 33 .   ? -13.858 -6.498  -1.494  1.00 1.41  1   AD 1 
HETATM 3180 C C14 . LIG_AD AD 33 .   ? -13.281 -7.421  -1.873  1.00 1.40  1   AD 1 
HETATM 3181 C C15 . LIG_AD AD 33 .   ? -12.622 -8.199  -2.308  1.00 1.37  1   AD 1 
HETATM 3182 C C16 . LIG_AD AD 33 .   ? -12.114 -9.203  -2.688  1.00 1.36  1   AD 1 
HETATM 3183 C C17 . LIG_AD AD 33 .   ? -11.325 -9.793  -3.237  1.00 1.28  1   AD 1 
HETATM 3184 C C18 . LIG_AD AD 33 .   ? -10.983 -10.991 -3.655  1.00 1.33  1   AD 1 
HETATM 3185 O O1  . LIG_AD AD 33 .   ? -10.128 -11.115 -4.452  1.00 1.88  1   AD 1 
HETATM 3186 O O2  . LIG_AD AD 33 .   ? -11.605 -11.921 -3.154  1.00 1.67  1   AD 1 
HETATM 3187 C C19 . LIG_AD AD 33 .   ? -11.413 -13.146 -3.640  1.00 1.25  1   AD 1 
HETATM 3188 C C20 . LIG_AD AD 33 .   ? -12.208 -14.122 -2.904  1.00 1.27  1   AD 1 
HETATM 3189 C C21 . LIG_AD AD 33 .   ? -12.084 -15.507 -3.416  1.00 1.30  1   AD 1 
HETATM 3190 O O3  . LIG_AD AD 33 .   ? -11.978 -15.560 -4.740  1.00 1.38  1   AD 1 
HETATM 3191 P P1  . LIG_AD AD 33 .   ? -11.699 -16.948 -5.388  1.00 1.23  1   AD 1 
HETATM 3192 O O4  . LIG_AD AD 33 .   ? -11.352 -16.719 -6.751  1.00 1.22  1   AD 1 
HETATM 3193 O O5  . LIG_AD AD 33 .   ? -12.690 -17.882 -5.048  1.00 1.22  1   AD 1 
HETATM 3194 O O6  . LIG_AD AD 33 .   ? -10.422 -17.326 -4.548  1.00 1.37  1   AD 1 
HETATM 3195 C C22 . LIG_AD AD 33 .   ? -9.617  -18.247 -4.768  1.00 1.35  1   AD 1 
HETATM 3196 C C23 . LIG_AD AD 33 .   ? -8.404  -17.778 -5.313  1.00 1.33  1   AD 1 
HETATM 3197 N N1  . LIG_AD AD 33 .   ? -7.257  -18.171 -4.664  1.00 1.94  1   AD 1 
HETATM 3198 C C24 . LIG_AD AD 33 .   ? -6.170  -17.528 -5.309  1.00 1.36  1   AD 1 
HETATM 3199 C C25 . LIG_AD AD 33 .   ? -7.304  -17.808 -3.302  1.00 1.41  1   AD 1 
HETATM 3200 C C26 . LIG_AD AD 33 .   ? -7.089  -19.564 -4.773  1.00 1.36  1   AD 1 
HETATM 3201 O O7  . LIG_AD AD 33 .   ? -13.543 -13.780 -2.998  1.00 1.51  1   AD 1 
HETATM 3202 C C27 . LIG_AD AD 33 .   ? -14.125 -13.632 -1.868  1.00 1.45  1   AD 1 
HETATM 3203 O O8  . LIG_AD AD 33 .   ? -13.657 -14.069 -0.847  1.00 1.52  1   AD 1 
HETATM 3204 C C28 . LIG_AD AD 33 .   ? -15.212 -12.911 -1.882  1.00 1.34  1   AD 1 
HETATM 3205 C C29 . LIG_AD AD 33 .   ? -15.709 -12.107 -1.224  1.00 1.45  1   AD 1 
HETATM 3206 C C30 . LIG_AD AD 33 .   ? -16.434 -11.293 -0.925  1.00 1.44  1   AD 1 
HETATM 3207 C C31 . LIG_AD AD 33 .   ? -17.023 -10.432 -0.507  1.00 1.44  1   AD 1 
HETATM 3208 C C32 . LIG_AD AD 33 .   ? -17.716 -9.599  -0.221  1.00 1.61  1   AD 1 
HETATM 3209 C C33 . LIG_AD AD 33 .   ? -18.420 -8.760  0.042   1.00 1.53  1   AD 1 
HETATM 3210 C C34 . LIG_AD AD 33 .   ? -19.177 -7.934  0.218   1.00 1.51  1   AD 1 
HETATM 3211 C C35 . LIG_AD AD 33 .   ? -19.977 -7.136  0.312   1.00 1.58  1   AD 1 
HETATM 3212 C C36 . LIG_AD AD 33 .   ? -20.800 -6.365  0.309   1.00 1.65  1   AD 1 
HETATM 3213 C C37 . LIG_AD AD 33 .   ? -21.657 -5.633  0.205   1.00 1.64  1   AD 1 
HETATM 3214 C C38 . LIG_AD AD 33 .   ? -22.525 -4.934  0.040   1.00 1.48  1   AD 1 
HETATM 3215 C C39 . LIG_AD AD 33 .   ? -23.396 -4.235  -0.172  1.00 1.67  1   AD 1 
HETATM 3216 C C40 . LIG_AD AD 33 .   ? -24.214 -3.508  -0.393  1.00 1.78  1   AD 1 
HETATM 3217 C C41 . LIG_AD AD 33 .   ? -25.004 -2.745  -0.632  1.00 1.47  1   AD 1 
HETATM 3218 C C42 . LIG_AD AD 33 .   ? -25.713 -1.977  -0.862  1.00 1.52  1   AD 1 
HETATM 3219 C C43 . LIG_AD AD 33 .   ? -26.457 -1.237  -1.095  1.00 1.31  1   AD 1 
HETATM 3220 C C44 . LIG_AD AD 33 .   ? -27.272 -0.468  -1.330  1.00 1.42  1   AD 1 
HETATM 3221 C C1  . LIG_BD BD 34 .   ? -18.090 13.553  -3.513  1.00 1.32  1   BD 1 
HETATM 3222 C C2  . LIG_BD BD 34 .   ? -18.127 13.171  -2.345  1.00 1.35  1   BD 1 
HETATM 3223 C C3  . LIG_BD BD 34 .   ? -18.244 12.203  -1.732  1.00 1.35  1   BD 1 
HETATM 3224 C C4  . LIG_BD BD 34 .   ? -18.150 11.872  -0.536  1.00 1.38  1   BD 1 
HETATM 3225 C C5  . LIG_BD BD 34 .   ? -18.222 10.682  -0.101  1.00 1.39  1   BD 1 
HETATM 3226 C C6  . LIG_BD BD 34 .   ? -19.190 10.043  0.120   1.00 1.35  1   BD 1 
HETATM 3227 C C7  . LIG_BD BD 34 .   ? -20.189 10.362  0.558   1.00 1.32  1   BD 1 
HETATM 3228 C C8  . LIG_BD BD 34 .   ? -20.575 11.143  1.215   1.00 1.35  1   BD 1 
HETATM 3229 C C9  . LIG_BD BD 34 .   ? -21.192 11.847  1.703   1.00 1.34  1   BD 1 
HETATM 3230 C C10 . LIG_BD BD 34 .   ? -21.819 12.610  2.133   1.00 1.43  1   BD 1 
HETATM 3231 C C11 . LIG_BD BD 34 .   ? -22.603 13.142  2.530   1.00 1.43  1   BD 1 
HETATM 3232 C C12 . LIG_BD BD 34 .   ? -23.361 13.767  2.980   1.00 1.44  1   BD 1 
HETATM 3233 C C13 . LIG_BD BD 34 .   ? -24.309 13.758  3.658   1.00 1.31  1   BD 1 
HETATM 3234 C C14 . LIG_BD BD 34 .   ? -24.953 14.709  4.039   1.00 1.29  1   BD 1 
HETATM 3235 C C15 . LIG_BD BD 34 .   ? -25.466 14.974  5.081   1.00 1.31  1   BD 1 
HETATM 3236 C C16 . LIG_BD BD 34 .   ? -26.155 16.028  5.311   1.00 1.31  1   BD 1 
HETATM 3237 C C17 . LIG_BD BD 34 .   ? -26.587 16.276  6.549   1.00 1.19  1   BD 1 
HETATM 3238 C C18 . LIG_BD BD 34 .   ? -27.397 17.388  6.607   1.00 1.22  1   BD 1 
HETATM 3239 O O1  . LIG_BD BD 34 .   ? -28.486 17.370  6.143   1.00 1.57  1   BD 1 
HETATM 3240 O O2  . LIG_BD BD 34 .   ? -26.905 18.372  7.146   1.00 1.46  1   BD 1 
HETATM 3241 C C19 . LIG_BD BD 34 .   ? -27.680 19.443  7.223   1.00 1.21  1   BD 1 
HETATM 3242 C C20 . LIG_BD BD 34 .   ? -26.862 20.623  7.531   1.00 1.24  1   BD 1 
HETATM 3243 C C21 . LIG_BD BD 34 .   ? -27.731 21.807  7.783   1.00 1.26  1   BD 1 
HETATM 3244 O O3  . LIG_BD BD 34 .   ? -28.778 21.744  6.918   1.00 1.32  1   BD 1 
HETATM 3245 P P1  . LIG_BD BD 34 .   ? -30.120 22.507  7.225   1.00 1.27  1   BD 1 
HETATM 3246 O O4  . LIG_BD BD 34 .   ? -30.567 22.123  8.537   1.00 1.21  1   BD 1 
HETATM 3247 O O5  . LIG_BD BD 34 .   ? -30.943 22.317  6.109   1.00 1.16  1   BD 1 
HETATM 3248 O O6  . LIG_BD BD 34 .   ? -29.603 23.975  7.302   1.00 1.26  1   BD 1 
HETATM 3249 C C22 . LIG_BD BD 34 .   ? -30.213 24.879  8.042   1.00 1.23  1   BD 1 
HETATM 3250 C C23 . LIG_BD BD 34 .   ? -29.306 25.864  8.411   1.00 1.21  1   BD 1 
HETATM 3251 N N1  . LIG_BD BD 34 .   ? -28.285 25.896  7.666   1.00 1.61  1   BD 1 
HETATM 3252 O O7  . LIG_BD BD 34 .   ? -26.058 20.919  6.443   1.00 1.23  1   BD 1 
HETATM 3253 C C24 . LIG_BD BD 34 .   ? -24.794 20.858  6.639   1.00 1.23  1   BD 1 
HETATM 3254 O O8  . LIG_BD BD 34 .   ? -24.331 20.643  7.714   1.00 1.29  1   BD 1 
HETATM 3255 C C25 . LIG_BD BD 34 .   ? -23.988 20.983  5.488   1.00 1.24  1   BD 1 
HETATM 3256 C C26 . LIG_BD BD 34 .   ? -23.696 19.718  4.957   1.00 1.36  1   BD 1 
HETATM 3257 C C27 . LIG_BD BD 34 .   ? -23.031 19.678  3.843   1.00 1.38  1   BD 1 
HETATM 3258 C C28 . LIG_BD BD 34 .   ? -22.826 18.586  3.199   1.00 1.23  1   BD 1 
HETATM 3259 C C29 . LIG_BD BD 34 .   ? -22.368 18.255  2.198   1.00 1.24  1   BD 1 
HETATM 3260 C C30 . LIG_BD BD 34 .   ? -22.132 17.501  1.374   1.00 1.29  1   BD 1 
HETATM 3261 C C31 . LIG_BD BD 34 .   ? -21.873 16.986  0.419   1.00 1.26  1   BD 1 
HETATM 3262 C C32 . LIG_BD BD 34 .   ? -21.726 16.325  -0.436  1.00 1.33  1   BD 1 
HETATM 3263 C C33 . LIG_BD BD 34 .   ? -21.776 15.572  -1.208  1.00 1.28  1   BD 1 
HETATM 3264 C C34 . LIG_BD BD 34 .   ? -21.631 14.916  -2.116  1.00 1.26  1   BD 1 
HETATM 3265 C C35 . LIG_BD BD 34 .   ? -21.866 13.911  -2.717  1.00 1.25  1   BD 1 
HETATM 3266 C C36 . LIG_BD BD 34 .   ? -21.548 13.344  -3.697  1.00 1.34  1   BD 1 
HETATM 3267 C C37 . LIG_BD BD 34 .   ? -21.629 12.313  -4.275  1.00 1.37  1   BD 1 
HETATM 3268 C C38 . LIG_BD BD 34 .   ? -21.230 11.766  -5.239  1.00 1.30  1   BD 1 
HETATM 3269 C C39 . LIG_BD BD 34 .   ? -21.156 10.693  -5.803  1.00 1.26  1   BD 1 
HETATM 3270 C C40 . LIG_BD BD 34 .   ? -20.599 10.229  -6.733  1.00 1.28  1   BD 1 
HETATM 3271 C C41 . LIG_BD BD 34 .   ? -20.408 9.097   -7.249  1.00 1.21  1   BD 1 
HETATM 3272 C C1  . LIG_AE AE 35 .   ? 1.757   5.890   32.465  1.00 2.17  1   AE 1 
HETATM 3273 C C2  . LIG_AE AE 35 .   ? 2.364   6.383   33.264  1.00 2.20  1   AE 1 
HETATM 3274 C C3  . LIG_AE AE 35 .   ? 2.664   7.360   33.759  1.00 2.00  1   AE 1 
HETATM 3275 C C4  . LIG_AE AE 35 .   ? 2.806   8.424   34.064  1.00 2.21  1   AE 1 
HETATM 3276 C C5  . LIG_AE AE 35 .   ? 2.888   9.530   34.306  1.00 1.88  1   AE 1 
HETATM 3277 C C6  . LIG_AE AE 35 .   ? 2.861   10.646  34.455  1.00 1.63  1   AE 1 
HETATM 3278 C C7  . LIG_AE AE 35 .   ? 2.697   11.714  34.557  1.00 1.60  1   AE 1 
HETATM 3279 C C8  . LIG_AE AE 35 .   ? 2.322   12.737  34.646  1.00 1.59  1   AE 1 
HETATM 3280 C C9  . LIG_AE AE 35 .   ? 1.734   13.624  34.733  1.00 1.63  1   AE 1 
HETATM 3281 C C10 . LIG_AE AE 35 .   ? 1.023   14.473  34.822  1.00 1.69  1   AE 1 
HETATM 3282 C C11 . LIG_AE AE 35 .   ? 0.235   15.200  34.928  1.00 1.65  1   AE 1 
HETATM 3283 C C12 . LIG_AE AE 35 .   ? -0.627  15.882  35.041  1.00 1.68  1   AE 1 
HETATM 3284 C C13 . LIG_AE AE 35 .   ? -1.496  16.495  35.161  1.00 1.39  1   AE 1 
HETATM 3285 C C14 . LIG_AE AE 35 .   ? -2.406  17.111  35.279  1.00 1.34  1   AE 1 
HETATM 3286 C C15 . LIG_AE AE 35 .   ? -3.270  17.706  35.383  1.00 1.29  1   AE 1 
HETATM 3287 C C16 . LIG_AE AE 35 .   ? -4.188  18.342  35.512  1.00 1.30  1   AE 1 
HETATM 3288 C C17 . LIG_AE AE 35 .   ? -4.974  18.932  35.644  1.00 1.21  1   AE 1 
HETATM 3289 C C18 . LIG_AE AE 35 .   ? -6.039  19.559  35.820  1.00 1.26  1   AE 1 
HETATM 3290 O O1  . LIG_AE AE 35 .   ? -6.230  20.169  36.812  1.00 1.67  1   AE 1 
HETATM 3291 O O2  . LIG_AE AE 35 .   ? -6.799  19.445  34.879  1.00 1.58  1   AE 1 
HETATM 3292 C C19 . LIG_AE AE 35 .   ? -7.939  20.032  35.000  1.00 1.22  1   AE 1 
HETATM 3293 C C20 . LIG_AE AE 35 .   ? -8.564  20.276  33.739  1.00 1.27  1   AE 1 
HETATM 3294 C C21 . LIG_AE AE 35 .   ? -9.904  20.901  33.951  1.00 1.31  1   AE 1 
HETATM 3295 O O3  . LIG_AE AE 35 .   ? -9.761  22.158  34.273  1.00 1.39  1   AE 1 
HETATM 3296 P P1  . LIG_AE AE 35 .   ? -10.981 23.021  34.664  1.00 1.27  1   AE 1 
HETATM 3297 O O4  . LIG_AE AE 35 .   ? -10.512 24.366  34.651  1.00 1.22  1   AE 1 
HETATM 3298 O O5  . LIG_AE AE 35 .   ? -12.114 22.677  33.939  1.00 1.19  1   AE 1 
HETATM 3299 O O6  . LIG_AE AE 35 .   ? -11.173 22.524  36.094  1.00 1.33  1   AE 1 
HETATM 3300 C C22 . LIG_AE AE 35 .   ? -11.428 23.285  37.103  1.00 1.41  1   AE 1 
HETATM 3301 C C23 . LIG_AE AE 35 .   ? -10.470 23.259  38.148  1.00 1.41  1   AE 1 
HETATM 3302 N N1  . LIG_AE AE 35 .   ? -10.733 22.441  39.221  1.00 1.98  1   AE 1 
HETATM 3303 C C24 . LIG_AE AE 35 .   ? -9.882  22.794  40.269  1.00 1.52  1   AE 1 
HETATM 3304 C C25 . LIG_AE AE 35 .   ? -10.498 21.099  38.855  1.00 1.63  1   AE 1 
HETATM 3305 C C26 . LIG_AE AE 35 .   ? -12.076 22.574  39.632  1.00 1.60  1   AE 1 
HETATM 3306 O O7  . LIG_AE AE 35 .   ? -8.786  19.106  33.084  1.00 1.43  1   AE 1 
HETATM 3307 C C27 . LIG_AE AE 35 .   ? -8.275  19.050  31.969  1.00 1.40  1   AE 1 
HETATM 3308 O O8  . LIG_AE AE 35 .   ? -7.652  19.949  31.486  1.00 1.43  1   AE 1 
HETATM 3309 C C28 . LIG_AE AE 35 .   ? -8.406  17.921  31.383  1.00 1.27  1   AE 1 
HETATM 3310 C C29 . LIG_AE AE 35 .   ? -7.701  17.244  30.871  1.00 1.36  1   AE 1 
HETATM 3311 C C30 . LIG_AE AE 35 .   ? -7.201  16.382  30.443  1.00 1.34  1   AE 1 
HETATM 3312 C C31 . LIG_AE AE 35 .   ? -6.513  15.610  30.117  1.00 1.31  1   AE 1 
HETATM 3313 C C32 . LIG_AE AE 35 .   ? -5.883  14.767  29.875  1.00 1.41  1   AE 1 
HETATM 3314 C C33 . LIG_AE AE 35 .   ? -5.214  13.936  29.729  1.00 1.37  1   AE 1 
HETATM 3315 C C34 . LIG_AE AE 35 .   ? -4.598  13.043  29.673  1.00 1.37  1   AE 1 
HETATM 3316 C C35 . LIG_AE AE 35 .   ? -4.028  12.134  29.684  1.00 1.44  1   AE 1 
HETATM 3317 C C36 . LIG_AE AE 35 .   ? -3.512  11.171  29.747  1.00 1.51  1   AE 1 
HETATM 3318 C C37 . LIG_AE AE 35 .   ? -3.038  10.180  29.841  1.00 1.54  1   AE 1 
HETATM 3319 C C38 . LIG_AE AE 35 .   ? -2.566  9.180   29.950  1.00 1.42  1   AE 1 
HETATM 3320 C C39 . LIG_AE AE 35 .   ? -2.080  8.173   30.063  1.00 1.51  1   AE 1 
HETATM 3321 C C40 . LIG_AE AE 35 .   ? -1.574  7.203   30.190  1.00 1.73  1   AE 1 
HETATM 3322 C C41 . LIG_AE AE 35 .   ? -1.026  6.242   30.300  1.00 1.49  1   AE 1 
HETATM 3323 C C42 . LIG_AE AE 35 .   ? -0.482  5.355   30.334  1.00 1.57  1   AE 1 
HETATM 3324 C C43 . LIG_AE AE 35 .   ? 0.037   4.425   30.246  1.00 1.33  1   AE 1 
HETATM 3325 C C44 . LIG_AE AE 35 .   ? 0.529   3.416   30.040  1.00 1.37  1   AE 1 
HETATM 3326 C C1  . LIG_BE BE 36 .   ? -19.984 -0.571  12.470  1.00 1.91  1   BE 1 
HETATM 3327 C C2  . LIG_BE BE 36 .   ? -19.647 -1.078  11.904  1.00 1.97  1   BE 1 
HETATM 3328 C C3  . LIG_BE BE 36 .   ? -19.123 -1.891  11.433  1.00 1.98  1   BE 1 
HETATM 3329 C C4  . LIG_BE BE 36 .   ? -18.518 -2.750  11.099  1.00 2.29  1   BE 1 
HETATM 3330 C C5  . LIG_BE BE 36 .   ? -17.897 -3.626  10.796  1.00 2.01  1   BE 1 
HETATM 3331 C C6  . LIG_BE BE 36 .   ? -17.226 -4.499  10.586  1.00 1.75  1   BE 1 
HETATM 3332 C C7  . LIG_BE BE 36 .   ? -16.522 -5.332  10.430  1.00 1.79  1   BE 1 
HETATM 3333 C C8  . LIG_BE BE 36 .   ? -15.789 -6.160  10.293  1.00 1.65  1   BE 1 
HETATM 3334 C C9  . LIG_BE BE 36 .   ? -15.024 -6.947  10.164  1.00 1.75  1   BE 1 
HETATM 3335 C C10 . LIG_BE BE 36 .   ? -14.220 -7.757  10.018  1.00 1.76  1   BE 1 
HETATM 3336 C C11 . LIG_BE BE 36 .   ? -13.435 -8.542  9.865   1.00 1.68  1   BE 1 
HETATM 3337 C C12 . LIG_BE BE 36 .   ? -12.645 -9.362  9.693   1.00 1.74  1   BE 1 
HETATM 3338 C C13 . LIG_BE BE 36 .   ? -11.880 -10.184 9.555   1.00 1.40  1   BE 1 
HETATM 3339 C C14 . LIG_BE BE 36 .   ? -11.154 -11.031 9.320   1.00 1.37  1   BE 1 
HETATM 3340 C C15 . LIG_BE BE 36 .   ? -10.415 -11.852 9.189   1.00 1.38  1   BE 1 
HETATM 3341 C C16 . LIG_BE BE 36 .   ? -9.758  -12.738 8.833   1.00 1.36  1   BE 1 
HETATM 3342 C C17 . LIG_BE BE 36 .   ? -9.026  -13.545 8.809   1.00 1.29  1   BE 1 
HETATM 3343 C C18 . LIG_BE BE 36 .   ? -8.475  -14.524 8.153   1.00 1.31  1   BE 1 
HETATM 3344 O O1  . LIG_BE BE 36 .   ? -8.769  -14.789 7.046   1.00 1.77  1   BE 1 
HETATM 3345 O O2  . LIG_BE BE 36 .   ? -7.619  -15.104 8.787   1.00 1.68  1   BE 1 
HETATM 3346 C C19 . LIG_BE BE 36 .   ? -6.954  -16.067 8.180   1.00 1.25  1   BE 1 
HETATM 3347 C C20 . LIG_BE BE 36 .   ? -5.708  -16.339 8.866   1.00 1.28  1   BE 1 
HETATM 3348 C C21 . LIG_BE BE 36 .   ? -5.257  -17.721 8.547   1.00 1.31  1   BE 1 
HETATM 3349 O O3  . LIG_BE BE 36 .   ? -4.193  -17.680 7.761   1.00 1.32  1   BE 1 
HETATM 3350 P P1  . LIG_BE BE 36 .   ? -3.561  -18.990 7.249   1.00 1.18  1   BE 1 
HETATM 3351 O O4  . LIG_BE BE 36 .   ? -2.261  -19.090 7.838   1.00 1.17  1   BE 1 
HETATM 3352 O O5  . LIG_BE BE 36 .   ? -3.707  -19.055 5.857   1.00 1.18  1   BE 1 
HETATM 3353 O O6  . LIG_BE BE 36 .   ? -4.456  -20.092 7.896   1.00 1.33  1   BE 1 
HETATM 3354 C C22 . LIG_BE BE 36 .   ? -4.216  -21.344 7.750   1.00 1.27  1   BE 1 
HETATM 3355 C C23 . LIG_BE BE 36 .   ? -5.117  -22.079 8.394   1.00 1.26  1   BE 1 
HETATM 3356 N N1  . LIG_BE BE 36 .   ? -6.187  -21.603 8.627   1.00 2.00  1   BE 1 
HETATM 3357 O O7  . LIG_BE BE 36 .   ? -5.877  -16.286 10.250  1.00 1.41  1   BE 1 
HETATM 3358 C C24 . LIG_BE BE 36 .   ? -5.251  -15.358 10.865  1.00 1.32  1   BE 1 
HETATM 3359 O O8  . LIG_BE BE 36 .   ? -4.352  -14.769 10.336  1.00 1.47  1   BE 1 
HETATM 3360 C C25 . LIG_BE BE 36 .   ? -5.706  -15.033 12.083  1.00 1.34  1   BE 1 
HETATM 3361 C C26 . LIG_BE BE 36 .   ? -6.354  -14.038 12.347  1.00 1.60  1   BE 1 
HETATM 3362 C C27 . LIG_BE BE 36 .   ? -7.028  -13.309 12.866  1.00 1.66  1   BE 1 
HETATM 3363 C C28 . LIG_BE BE 36 .   ? -7.764  -12.466 13.154  1.00 1.50  1   BE 1 
HETATM 3364 C C29 . LIG_BE BE 36 .   ? -8.519  -11.697 13.512  1.00 1.58  1   BE 1 
HETATM 3365 C C30 . LIG_BE BE 36 .   ? -9.349  -10.922 13.750  1.00 1.61  1   BE 1 
HETATM 3366 C C31 . LIG_BE BE 36 .   ? -10.192 -10.179 13.975  1.00 1.57  1   BE 1 
HETATM 3367 C C32 . LIG_BE BE 36 .   ? -11.054 -9.451  14.174  1.00 1.76  1   BE 1 
HETATM 3368 C C33 . LIG_BE BE 36 .   ? -11.934 -8.736  14.334  1.00 1.58  1   BE 1 
HETATM 3369 C C34 . LIG_BE BE 36 .   ? -12.826 -8.001  14.486  1.00 1.60  1   BE 1 
HETATM 3370 C C35 . LIG_BE BE 36 .   ? -13.712 -7.260  14.627  1.00 1.66  1   BE 1 
HETATM 3371 C C36 . LIG_BE BE 36 .   ? -14.587 -6.495  14.731  1.00 1.79  1   BE 1 
HETATM 3372 C C37 . LIG_BE BE 36 .   ? -15.449 -5.710  14.786  1.00 1.74  1   BE 1 
HETATM 3373 C C38 . LIG_BE BE 36 .   ? -16.304 -4.901  14.803  1.00 1.47  1   BE 1 
HETATM 3374 C C39 . LIG_BE BE 36 .   ? -17.134 -4.078  14.756  1.00 1.54  1   BE 1 
HETATM 3375 C C40 . LIG_BE BE 36 .   ? -17.887 -3.261  14.583  1.00 1.60  1   BE 1 
HETATM 3376 C C41 . LIG_BE BE 36 .   ? -18.608 -2.447  14.365  1.00 1.42  1   BE 1 
HETATM 3377 C C1  . LIG_AF AF 37 .   ? -12.953 13.956  3.048   1.00 2.31  1   AF 1 
HETATM 3378 C C2  . LIG_AF AF 37 .   ? -13.280 13.159  3.660   1.00 2.13  1   AF 1 
HETATM 3379 C C3  . LIG_AF AF 37 .   ? -13.707 13.215  4.632   1.00 1.92  1   AF 1 
HETATM 3380 C C4  . LIG_AF AF 37 .   ? -13.884 13.797  5.501   1.00 2.30  1   AF 1 
HETATM 3381 C C5  . LIG_AF AF 37 .   ? -14.008 14.454  6.357   1.00 2.03  1   AF 1 
HETATM 3382 C C6  . LIG_AF AF 37 .   ? -14.088 15.173  7.193   1.00 1.87  1   AF 1 
HETATM 3383 C C7  . LIG_AF AF 37 .   ? -14.144 15.873  8.006   1.00 1.76  1   AF 1 
HETATM 3384 C C8  . LIG_AF AF 37 .   ? -14.233 16.608  8.803   1.00 1.74  1   AF 1 
HETATM 3385 C C9  . LIG_AF AF 37 .   ? -14.329 17.334  9.582   1.00 1.77  1   AF 1 
HETATM 3386 C C10 . LIG_AF AF 37 .   ? -14.459 18.120  10.360  1.00 1.82  1   AF 1 
HETATM 3387 C C11 . LIG_AF AF 37 .   ? -14.623 18.892  11.126  1.00 1.67  1   AF 1 
HETATM 3388 C C12 . LIG_AF AF 37 .   ? -14.797 19.692  11.865  1.00 1.77  1   AF 1 
HETATM 3389 C C13 . LIG_AF AF 37 .   ? -14.978 20.459  12.620  1.00 1.38  1   AF 1 
HETATM 3390 C C14 . LIG_AF AF 37 .   ? -15.257 21.296  13.282  1.00 1.34  1   AF 1 
HETATM 3391 C C15 . LIG_AF AF 37 .   ? -15.508 22.064  14.009  1.00 1.34  1   AF 1 
HETATM 3392 C C16 . LIG_AF AF 37 .   ? -15.904 23.005  14.530  1.00 1.32  1   AF 1 
HETATM 3393 C C17 . LIG_AF AF 37 .   ? -16.163 23.743  15.278  1.00 1.23  1   AF 1 
HETATM 3394 C C18 . LIG_AF AF 37 .   ? -16.763 24.861  15.532  1.00 1.26  1   AF 1 
HETATM 3395 O O1  . LIG_AF AF 37 .   ? -16.829 25.272  16.627  1.00 1.81  1   AF 1 
HETATM 3396 O O2  . LIG_AF AF 37 .   ? -17.215 25.410  14.551  1.00 1.72  1   AF 1 
HETATM 3397 C C19 . LIG_AF AF 37 .   ? -17.925 26.515  14.706  1.00 1.24  1   AF 1 
HETATM 3398 C C20 . LIG_AF AF 37 .   ? -18.152 27.167  13.418  1.00 1.30  1   AF 1 
HETATM 3399 C C21 . LIG_AF AF 37 .   ? -19.250 28.140  13.497  1.00 1.32  1   AF 1 
HETATM 3400 O O3  . LIG_AF AF 37 .   ? -18.736 29.364  13.492  1.00 1.43  1   AF 1 
HETATM 3401 P P1  . LIG_AF AF 37 .   ? -19.661 30.600  13.277  1.00 1.27  1   AF 1 
HETATM 3402 O O4  . LIG_AF AF 37 .   ? -20.700 30.253  12.357  1.00 1.27  1   AF 1 
HETATM 3403 O O5  . LIG_AF AF 37 .   ? -18.843 31.698  13.001  1.00 1.23  1   AF 1 
HETATM 3404 O O6  . LIG_AF AF 37 .   ? -20.271 30.704  14.692  1.00 1.36  1   AF 1 
HETATM 3405 C C22 . LIG_AF AF 37 .   ? -19.673 31.246  15.637  1.00 1.39  1   AF 1 
HETATM 3406 C C23 . LIG_AF AF 37 .   ? -20.480 31.689  16.693  1.00 1.32  1   AF 1 
HETATM 3407 N N1  . LIG_AF AF 37 .   ? -19.925 31.582  17.941  1.00 2.09  1   AF 1 
HETATM 3408 C C24 . LIG_AF AF 37 .   ? -18.648 32.194  17.949  1.00 1.40  1   AF 1 
HETATM 3409 C C25 . LIG_AF AF 37 .   ? -20.773 32.220  18.846  1.00 1.42  1   AF 1 
HETATM 3410 C C26 . LIG_AF AF 37 .   ? -19.795 30.205  18.267  1.00 1.42  1   AF 1 
HETATM 3411 O O7  . LIG_AF AF 37 .   ? -18.504 26.228  12.484  1.00 1.52  1   AF 1 
HETATM 3412 C C27 . LIG_AF AF 37 .   ? -17.599 25.967  11.684  1.00 1.47  1   AF 1 
HETATM 3413 O O8  . LIG_AF AF 37 .   ? -16.601 26.632  11.617  1.00 1.53  1   AF 1 
HETATM 3414 C C28 . LIG_AF AF 37 .   ? -17.745 24.913  10.986  1.00 1.30  1   AF 1 
HETATM 3415 C C29 . LIG_AF AF 37 .   ? -16.977 24.297  10.448  1.00 1.39  1   AF 1 
HETATM 3416 C C30 . LIG_AF AF 37 .   ? -16.581 23.580  9.761   1.00 1.41  1   AF 1 
HETATM 3417 C C31 . LIG_AF AF 37 .   ? -16.078 22.963  9.051   1.00 1.40  1   AF 1 
HETATM 3418 C C32 . LIG_AF AF 37 .   ? -15.719 22.350  8.254   1.00 1.52  1   AF 1 
HETATM 3419 C C33 . LIG_AF AF 37 .   ? -15.391 21.787  7.414   1.00 1.45  1   AF 1 
HETATM 3420 C C34 . LIG_AF AF 37 .   ? -15.150 21.226  6.523   1.00 1.47  1   AF 1 
HETATM 3421 C C35 . LIG_AF AF 37 .   ? -14.947 20.678  5.631   1.00 1.51  1   AF 1 
HETATM 3422 C C36 . LIG_AF AF 37 .   ? -14.761 20.078  4.759   1.00 1.62  1   AF 1 
HETATM 3423 C C37 . LIG_AF AF 37 .   ? -14.567 19.450  3.927   1.00 1.64  1   AF 1 
HETATM 3424 C C38 . LIG_AF AF 37 .   ? -14.326 18.744  3.158   1.00 1.48  1   AF 1 
HETATM 3425 C C39 . LIG_AF AF 37 .   ? -14.012 17.958  2.506   1.00 1.59  1   AF 1 
HETATM 3426 C C40 . LIG_AF AF 37 .   ? -13.603 17.111  2.016   1.00 1.74  1   AF 1 
HETATM 3427 C C41 . LIG_AF AF 37 .   ? -13.062 16.215  1.760   1.00 1.51  1   AF 1 
HETATM 3428 C C42 . LIG_AF AF 37 .   ? -12.455 15.392  1.643   1.00 1.55  1   AF 1 
HETATM 3429 C C43 . LIG_AF AF 37 .   ? -11.770 14.606  1.550   1.00 1.36  1   AF 1 
HETATM 3430 C C44 . LIG_AF AF 37 .   ? -10.953 13.824  1.500   1.00 1.40  1   AF 1 
HETATM 3431 C C1  . LIG_BF BF 38 .   ? -3.931  10.842  25.990  1.00 1.35  1   BF 1 
HETATM 3432 C C2  . LIG_BF BF 38 .   ? -4.346  11.675  25.190  1.00 1.33  1   BF 1 
HETATM 3433 C C3  . LIG_BF BF 38 .   ? -4.339  12.764  24.799  1.00 1.38  1   BF 1 
HETATM 3434 C C4  . LIG_BF BF 38 .   ? -4.935  13.504  24.137  1.00 1.43  1   BF 1 
HETATM 3435 C C5  . LIG_BF BF 38 .   ? -5.207  14.549  23.735  1.00 1.40  1   BF 1 
HETATM 3436 C C6  . LIG_BF BF 38 .   ? -5.991  15.164  23.149  1.00 1.33  1   BF 1 
HETATM 3437 C C7  . LIG_BF BF 38 .   ? -6.240  16.298  22.837  1.00 1.29  1   BF 1 
HETATM 3438 C C8  . LIG_BF BF 38 .   ? -5.548  17.207  22.910  1.00 1.37  1   BF 1 
HETATM 3439 C C9  . LIG_BF BF 38 .   ? -5.369  18.326  22.693  1.00 1.37  1   BF 1 
HETATM 3440 C C10 . LIG_BF BF 38 .   ? -4.791  19.278  22.683  1.00 1.39  1   BF 1 
HETATM 3441 C C11 . LIG_BF BF 38 .   ? -4.541  20.365  22.459  1.00 1.35  1   BF 1 
HETATM 3442 C C12 . LIG_BF BF 38 .   ? -3.789  21.235  22.601  1.00 1.42  1   BF 1 
HETATM 3443 C C13 . LIG_BF BF 38 .   ? -3.605  22.363  22.311  1.00 1.29  1   BF 1 
HETATM 3444 C C14 . LIG_BF BF 38 .   ? -3.963  23.424  22.480  1.00 1.29  1   BF 1 
HETATM 3445 C C15 . LIG_BF BF 38 .   ? -4.002  24.566  22.193  1.00 1.31  1   BF 1 
HETATM 3446 C C16 . LIG_BF BF 38 .   ? -4.766  25.535  22.484  1.00 1.28  1   BF 1 
HETATM 3447 C C17 . LIG_BF BF 38 .   ? -4.927  26.591  21.753  1.00 1.17  1   BF 1 
HETATM 3448 C C18 . LIG_BF BF 38 .   ? -6.037  27.372  21.891  1.00 1.21  1   BF 1 
HETATM 3449 O O1  . LIG_BF BF 38 .   ? -6.269  27.969  22.906  1.00 1.49  1   BF 1 
HETATM 3450 O O2  . LIG_BF BF 38 .   ? -6.757  27.402  20.887  1.00 1.41  1   BF 1 
HETATM 3451 C C19 . LIG_BF BF 38 .   ? -7.885  28.144  20.917  1.00 1.18  1   BF 1 
HETATM 3452 C C20 . LIG_BF BF 38 .   ? -8.720  27.749  19.774  1.00 1.23  1   BF 1 
HETATM 3453 C C21 . LIG_BF BF 38 .   ? -9.930  28.577  19.589  1.00 1.22  1   BF 1 
HETATM 3454 O O3  . LIG_BF BF 38 .   ? -9.906  29.631  20.361  1.00 1.31  1   BF 1 
HETATM 3455 P P1  . LIG_BF BF 38 .   ? -10.399 30.999  19.795  1.00 1.24  1   BF 1 
HETATM 3456 O O4  . LIG_BF BF 38 .   ? -11.738 30.842  19.293  1.00 1.21  1   BF 1 
HETATM 3457 O O5  . LIG_BF BF 38 .   ? -9.407  31.519  18.935  1.00 1.15  1   BF 1 
HETATM 3458 O O6  . LIG_BF BF 38 .   ? -10.414 31.780  21.123  1.00 1.26  1   BF 1 
HETATM 3459 C C22 . LIG_BF BF 38 .   ? -11.225 31.536  22.107  1.00 1.23  1   BF 1 
HETATM 3460 C C23 . LIG_BF BF 38 .   ? -11.416 32.717  22.874  1.00 1.19  1   BF 1 
HETATM 3461 N N1  . LIG_BF BF 38 .   ? -11.285 33.831  22.140  1.00 1.69  1   BF 1 
HETATM 3462 O O7  . LIG_BF BF 38 .   ? -9.174  26.482  20.059  1.00 1.27  1   BF 1 
HETATM 3463 C C24 . LIG_BF BF 38 .   ? -9.125  25.693  19.097  1.00 1.23  1   BF 1 
HETATM 3464 O O8  . LIG_BF BF 38 .   ? -8.861  26.054  17.987  1.00 1.29  1   BF 1 
HETATM 3465 C C25 . LIG_BF BF 38 .   ? -9.329  24.347  19.409  1.00 1.26  1   BF 1 
HETATM 3466 C C26 . LIG_BF BF 38 .   ? -8.232  23.643  19.046  1.00 1.42  1   BF 1 
HETATM 3467 C C27 . LIG_BF BF 38 .   ? -8.209  22.388  19.246  1.00 1.45  1   BF 1 
HETATM 3468 C C28 . LIG_BF BF 38 .   ? -7.194  21.711  19.016  1.00 1.34  1   BF 1 
HETATM 3469 C C29 . LIG_BF BF 38 .   ? -6.898  20.616  18.914  1.00 1.35  1   BF 1 
HETATM 3470 C C30 . LIG_BF BF 38 .   ? -6.111  19.863  18.611  1.00 1.44  1   BF 1 
HETATM 3471 C C31 . LIG_BF BF 38 .   ? -5.738  18.900  18.241  1.00 1.36  1   BF 1 
HETATM 3472 C C32 . LIG_BF BF 38 .   ? -5.153  18.036  17.971  1.00 1.47  1   BF 1 
HETATM 3473 C C33 . LIG_BF BF 38 .   ? -4.923  17.069  17.611  1.00 1.36  1   BF 1 
HETATM 3474 C C34 . LIG_BF BF 38 .   ? -4.650  15.997  17.481  1.00 1.36  1   BF 1 
HETATM 3475 C C35 . LIG_BF BF 38 .   ? -4.721  14.993  17.008  1.00 1.38  1   BF 1 
HETATM 3476 C C36 . LIG_BF BF 38 .   ? -4.564  13.858  16.948  1.00 1.48  1   BF 1 
HETATM 3477 C C37 . LIG_BF BF 38 .   ? -4.671  12.882  16.342  1.00 1.54  1   BF 1 
HETATM 3478 C C38 . LIG_BF BF 38 .   ? -4.442  11.737  16.294  1.00 1.39  1   BF 1 
HETATM 3479 C C39 . LIG_BF BF 38 .   ? -4.326  10.790  15.607  1.00 1.37  1   BF 1 
HETATM 3480 C C40 . LIG_BF BF 38 .   ? -3.963  9.724   15.531  1.00 1.43  1   BF 1 
HETATM 3481 C C41 . LIG_BF BF 38 .   ? -3.706  8.699   14.888  1.00 1.27  1   BF 1 
HETATM 3482 C C1  . LIG_AG AG 39 .   ? -21.701 1.446   15.381  1.00 2.06  1   AG 1 
HETATM 3483 C C2  . LIG_AG AG 39 .   ? -22.539 1.526   14.997  1.00 2.10  1   AG 1 
HETATM 3484 C C3  . LIG_AG AG 39 .   ? -23.251 2.331   14.948  1.00 2.04  1   AG 1 
HETATM 3485 C C4  . LIG_AG AG 39 .   ? -23.657 3.263   15.112  1.00 2.30  1   AG 1 
HETATM 3486 C C5  . LIG_AG AG 39 .   ? -24.122 4.218   15.258  1.00 1.98  1   AG 1 
HETATM 3487 C C6  . LIG_AG AG 39 .   ? -24.501 5.178   15.482  1.00 1.80  1   AG 1 
HETATM 3488 C C7  . LIG_AG AG 39 .   ? -24.952 6.084   15.703  1.00 1.80  1   AG 1 
HETATM 3489 C C8  . LIG_AG AG 39 .   ? -25.471 6.951   15.963  1.00 1.66  1   AG 1 
HETATM 3490 C C9  . LIG_AG AG 39 .   ? -26.064 7.751   16.236  1.00 1.75  1   AG 1 
HETATM 3491 C C10 . LIG_AG AG 39 .   ? -26.729 8.549   16.525  1.00 1.81  1   AG 1 
HETATM 3492 C C11 . LIG_AG AG 39 .   ? -27.456 9.275   16.814  1.00 1.65  1   AG 1 
HETATM 3493 C C12 . LIG_AG AG 39 .   ? -28.214 9.935   17.155  1.00 1.64  1   AG 1 
HETATM 3494 C C13 . LIG_AG AG 39 .   ? -29.034 10.545  17.484  1.00 1.40  1   AG 1 
HETATM 3495 C C14 . LIG_AG AG 39 .   ? -29.821 11.145  17.901  1.00 1.37  1   AG 1 
HETATM 3496 C C15 . LIG_AG AG 39 .   ? -30.649 11.770  18.289  1.00 1.36  1   AG 1 
HETATM 3497 C C16 . LIG_AG AG 39 .   ? -31.313 12.436  18.849  1.00 1.36  1   AG 1 
HETATM 3498 C C17 . LIG_AG AG 39 .   ? -31.973 13.138  19.435  1.00 1.28  1   AG 1 
HETATM 3499 C C18 . LIG_AG AG 39 .   ? -31.842 13.751  20.528  1.00 1.31  1   AG 1 
HETATM 3500 O O1  . LIG_AG AG 39 .   ? -32.656 14.483  20.972  1.00 1.68  1   AG 1 
HETATM 3501 O O2  . LIG_AG AG 39 .   ? -30.738 13.485  21.017  1.00 1.64  1   AG 1 
HETATM 3502 C C19 . LIG_AG AG 39 .   ? -30.450 13.880  22.226  1.00 1.31  1   AG 1 
HETATM 3503 C C20 . LIG_AG AG 39 .   ? -29.369 13.046  22.752  1.00 1.32  1   AG 1 
HETATM 3504 C C21 . LIG_AG AG 39 .   ? -29.638 12.800  24.178  1.00 1.41  1   AG 1 
HETATM 3505 O O3  . LIG_AG AG 39 .   ? -30.335 11.677  24.225  1.00 1.40  1   AG 1 
HETATM 3506 P P1  . LIG_AG AG 39 .   ? -31.038 11.173  25.491  1.00 1.32  1   AG 1 
HETATM 3507 O O4  . LIG_AG AG 39 .   ? -32.429 11.159  25.249  1.00 1.27  1   AG 1 
HETATM 3508 O O5  . LIG_AG AG 39 .   ? -30.528 11.759  26.648  1.00 1.24  1   AG 1 
HETATM 3509 O O6  . LIG_AG AG 39 .   ? -30.435 9.790   25.396  1.00 1.39  1   AG 1 
HETATM 3510 C C22 . LIG_AG AG 39 .   ? -30.964 8.747   25.089  1.00 1.45  1   AG 1 
HETATM 3511 C C23 . LIG_AG AG 39 .   ? -30.210 7.691   25.539  1.00 1.39  1   AG 1 
HETATM 3512 N N1  . LIG_AG AG 39 .   ? -30.546 6.469   25.121  1.00 2.04  1   AG 1 
HETATM 3513 C C24 . LIG_AG AG 39 .   ? -29.661 5.566   25.709  1.00 1.55  1   AG 1 
HETATM 3514 C C25 . LIG_AG AG 39 .   ? -31.858 6.144   25.507  1.00 1.62  1   AG 1 
HETATM 3515 C C26 . LIG_AG AG 39 .   ? -30.447 6.411   23.726  1.00 1.65  1   AG 1 
HETATM 3516 O O7  . LIG_AG AG 39 .   ? -28.183 13.688  22.583  1.00 1.49  1   AG 1 
HETATM 3517 C C27 . LIG_AG AG 39 .   ? -27.285 12.977  22.148  1.00 1.52  1   AG 1 
HETATM 3518 O O8  . LIG_AG AG 39 .   ? -27.485 11.812  21.868  1.00 1.59  1   AG 1 
HETATM 3519 C C28 . LIG_AG AG 39 .   ? -26.135 13.530  22.013  1.00 1.33  1   AG 1 
HETATM 3520 C C29 . LIG_AG AG 39 .   ? -25.164 12.999  21.599  1.00 1.45  1   AG 1 
HETATM 3521 C C30 . LIG_AG AG 39 .   ? -24.302 12.527  21.241  1.00 1.37  1   AG 1 
HETATM 3522 C C31 . LIG_AG AG 39 .   ? -23.486 11.886  20.846  1.00 1.37  1   AG 1 
HETATM 3523 C C32 . LIG_AG AG 39 .   ? -22.811 11.152  20.474  1.00 1.52  1   AG 1 
HETATM 3524 C C33 . LIG_AG AG 39 .   ? -22.222 10.322  20.093  1.00 1.46  1   AG 1 
HETATM 3525 C C34 . LIG_AG AG 39 .   ? -21.749 9.430   19.700  1.00 1.51  1   AG 1 
HETATM 3526 C C35 . LIG_AG AG 39 .   ? -21.325 8.506   19.300  1.00 1.60  1   AG 1 
HETATM 3527 C C36 . LIG_AG AG 39 .   ? -20.986 7.549   18.887  1.00 1.72  1   AG 1 
HETATM 3528 C C37 . LIG_AG AG 39 .   ? -20.697 6.574   18.484  1.00 1.69  1   AG 1 
HETATM 3529 C C38 . LIG_AG AG 39 .   ? -20.443 5.576   18.102  1.00 1.54  1   AG 1 
HETATM 3530 C C39 . LIG_AG AG 39 .   ? -20.254 4.567   17.708  1.00 1.67  1   AG 1 
HETATM 3531 C C40 . LIG_AG AG 39 .   ? -20.124 3.567   17.313  1.00 1.82  1   AG 1 
HETATM 3532 C C41 . LIG_AG AG 39 .   ? -20.044 2.554   16.892  1.00 1.47  1   AG 1 
HETATM 3533 C C42 . LIG_AG AG 39 .   ? -19.978 1.572   16.527  1.00 1.48  1   AG 1 
HETATM 3534 C C43 . LIG_AG AG 39 .   ? -19.899 0.580   16.194  1.00 1.30  1   AG 1 
HETATM 3535 C C44 . LIG_AG AG 39 .   ? -19.758 -0.515  15.889  1.00 1.36  1   AG 1 
HETATM 3536 C C1  . LIG_BG BG 40 .   ? -21.972 3.268   1.497   1.00 2.08  1   BG 1 
HETATM 3537 C C2  . LIG_BG BG 40 .   ? -22.667 3.654   2.082   1.00 2.14  1   BG 1 
HETATM 3538 C C3  . LIG_BG BG 40 .   ? -23.383 4.184   2.686   1.00 2.10  1   BG 1 
HETATM 3539 C C4  . LIG_BG BG 40 .   ? -24.112 4.703   3.314   1.00 2.35  1   BG 1 
HETATM 3540 C C5  . LIG_BG BG 40 .   ? -24.851 5.229   3.973   1.00 2.02  1   BG 1 
HETATM 3541 C C6  . LIG_BG BG 40 .   ? -25.586 5.746   4.626   1.00 1.75  1   BG 1 
HETATM 3542 C C7  . LIG_BG BG 40 .   ? -26.320 6.238   5.266   1.00 1.76  1   BG 1 
HETATM 3543 C C8  . LIG_BG BG 40 .   ? -27.080 6.708   5.873   1.00 1.63  1   BG 1 
HETATM 3544 C C9  . LIG_BG BG 40 .   ? -27.861 7.147   6.445   1.00 1.74  1   BG 1 
HETATM 3545 C C10 . LIG_BG BG 40 .   ? -28.684 7.588   7.026   1.00 1.80  1   BG 1 
HETATM 3546 C C11 . LIG_BG BG 40 .   ? -29.505 8.007   7.581   1.00 1.65  1   BG 1 
HETATM 3547 C C12 . LIG_BG BG 40 .   ? -30.276 8.491   8.156   1.00 1.72  1   BG 1 
HETATM 3548 C C13 . LIG_BG BG 40 .   ? -31.029 8.959   8.752   1.00 1.40  1   BG 1 
HETATM 3549 C C14 . LIG_BG BG 40 .   ? -31.698 9.598   9.303   1.00 1.37  1   BG 1 
HETATM 3550 C C15 . LIG_BG BG 40 .   ? -32.402 10.188  9.883   1.00 1.36  1   BG 1 
HETATM 3551 C C16 . LIG_BG BG 40 .   ? -32.952 11.048  10.322  1.00 1.32  1   BG 1 
HETATM 3552 C C17 . LIG_BG BG 40 .   ? -33.626 11.768  10.784  1.00 1.25  1   BG 1 
HETATM 3553 C C18 . LIG_BG BG 40 .   ? -33.790 13.032  10.850  1.00 1.27  1   BG 1 
HETATM 3554 O O1  . LIG_BG BG 40 .   ? -34.825 13.492  11.164  1.00 1.70  1   BG 1 
HETATM 3555 O O2  . LIG_BG BG 40 .   ? -32.774 13.698  10.523  1.00 1.65  1   BG 1 
HETATM 3556 C C19 . LIG_BG BG 40 .   ? -32.918 14.995  10.458  1.00 1.28  1   BG 1 
HETATM 3557 C C20 . LIG_BG BG 40 .   ? -31.873 15.640  9.654   1.00 1.31  1   BG 1 
HETATM 3558 C C21 . LIG_BG BG 40 .   ? -32.234 17.066  9.433   1.00 1.38  1   BG 1 
HETATM 3559 O O3  . LIG_BG BG 40 .   ? -33.520 17.254  9.695   1.00 1.38  1   BG 1 
HETATM 3560 P P1  . LIG_BG BG 40 .   ? -34.047 18.700  9.850   1.00 1.28  1   BG 1 
HETATM 3561 O O4  . LIG_BG BG 40 .   ? -35.211 18.669  10.687  1.00 1.22  1   BG 1 
HETATM 3562 O O5  . LIG_BG BG 40 .   ? -32.989 19.550  10.175  1.00 1.20  1   BG 1 
HETATM 3563 O O6  . LIG_BG BG 40 .   ? -34.469 18.947  8.387   1.00 1.34  1   BG 1 
HETATM 3564 C C22 . LIG_BG BG 40 .   ? -35.347 19.828  8.071   1.00 1.33  1   BG 1 
HETATM 3565 C C23 . LIG_BG BG 40 .   ? -34.722 20.810  7.398   1.00 1.29  1   BG 1 
HETATM 3566 N N1  . LIG_BG BG 40 .   ? -33.597 20.547  7.032   1.00 2.08  1   BG 1 
HETATM 3567 O O7  . LIG_BG BG 40 .   ? -31.788 15.021  8.446   1.00 1.41  1   BG 1 
HETATM 3568 C C24 . LIG_BG BG 40 .   ? -30.643 14.621  8.168   1.00 1.35  1   BG 1 
HETATM 3569 O O8  . LIG_BG BG 40 .   ? -29.688 14.849  8.866   1.00 1.54  1   BG 1 
HETATM 3570 C C25 . LIG_BG BG 40 .   ? -30.527 13.920  7.096   1.00 1.34  1   BG 1 
HETATM 3571 C C26 . LIG_BG BG 40 .   ? -29.709 13.291  6.615   1.00 1.50  1   BG 1 
HETATM 3572 C C27 . LIG_BG BG 40 .   ? -29.206 12.652  5.899   1.00 1.56  1   BG 1 
HETATM 3573 C C28 . LIG_BG BG 40 .   ? -28.507 12.024  5.309   1.00 1.40  1   BG 1 
HETATM 3574 C C29 . LIG_BG BG 40 .   ? -27.884 11.414  4.619   1.00 1.46  1   BG 1 
HETATM 3575 C C30 . LIG_BG BG 40 .   ? -27.216 10.813  3.960   1.00 1.51  1   BG 1 
HETATM 3576 C C31 . LIG_BG BG 40 .   ? -26.583 10.226  3.277   1.00 1.49  1   BG 1 
HETATM 3577 C C32 . LIG_BG BG 40 .   ? -25.947 9.636   2.628   1.00 1.70  1   BG 1 
HETATM 3578 C C33 . LIG_BG BG 40 .   ? -25.344 9.060   1.952   1.00 1.56  1   BG 1 
HETATM 3579 C C34 . LIG_BG BG 40 .   ? -24.726 8.467   1.270   1.00 1.55  1   BG 1 
HETATM 3580 C C35 . LIG_BG BG 40 .   ? -24.110 7.847   0.620   1.00 1.67  1   BG 1 
HETATM 3581 C C36 . LIG_BG BG 40 .   ? -23.485 7.168   0.033   1.00 1.85  1   BG 1 
HETATM 3582 C C37 . LIG_BG BG 40 .   ? -22.833 6.444   -0.459  1.00 1.77  1   BG 1 
HETATM 3583 C C38 . LIG_BG BG 40 .   ? -22.175 5.651   -0.814  1.00 1.43  1   BG 1 
HETATM 3584 C C39 . LIG_BG BG 40 .   ? -21.526 4.798   -1.024  1.00 1.47  1   BG 1 
HETATM 3585 C C40 . LIG_BG BG 40 .   ? -20.935 3.963   -1.058  1.00 1.54  1   BG 1 
HETATM 3586 C C41 . LIG_BG BG 40 .   ? -20.380 3.105   -0.991  1.00 1.38  1   BG 1 
HETATM 3587 C C1  . LIG_AH AH 41 .   ? -26.585 -2.740  15.280  1.00 2.06  1   AH 1 
HETATM 3588 C C2  . LIG_AH AH 41 .   ? -26.281 -2.839  14.366  1.00 2.19  1   AH 1 
HETATM 3589 C C3  . LIG_AH AH 41 .   ? -25.517 -3.435  13.816  1.00 2.09  1   AH 1 
HETATM 3590 C C4  . LIG_AH AH 41 .   ? -24.715 -4.132  13.525  1.00 2.46  1   AH 1 
HETATM 3591 C C5  . LIG_AH AH 41 .   ? -23.930 -4.877  13.203  1.00 2.00  1   AH 1 
HETATM 3592 C C6  . LIG_AH AH 41 .   ? -23.233 -5.707  12.919  1.00 1.79  1   AH 1 
HETATM 3593 C C7  . LIG_AH AH 41 .   ? -22.663 -6.619  12.648  1.00 1.75  1   AH 1 
HETATM 3594 C C8  . LIG_AH AH 41 .   ? -22.256 -7.631  12.423  1.00 1.66  1   AH 1 
HETATM 3595 C C9  . LIG_AH AH 41 .   ? -21.979 -8.685  12.225  1.00 1.69  1   AH 1 
HETATM 3596 C C10 . LIG_AH AH 41 .   ? -21.752 -9.793  12.033  1.00 1.76  1   AH 1 
HETATM 3597 C C11 . LIG_AH AH 41 .   ? -21.627 -10.884 11.824  1.00 1.63  1   AH 1 
HETATM 3598 C C12 . LIG_AH AH 41 .   ? -21.496 -11.991 11.630  1.00 1.65  1   AH 1 
HETATM 3599 C C13 . LIG_AH AH 41 .   ? -21.448 -13.073 11.351  1.00 1.35  1   AH 1 
HETATM 3600 C C14 . LIG_AH AH 41 .   ? -21.270 -14.178 11.102  1.00 1.31  1   AH 1 
HETATM 3601 C C15 . LIG_AH AH 41 .   ? -21.181 -15.230 10.731  1.00 1.29  1   AH 1 
HETATM 3602 C C16 . LIG_AH AH 41 .   ? -20.795 -16.310 10.484  1.00 1.29  1   AH 1 
HETATM 3603 C C17 . LIG_AH AH 41 .   ? -20.668 -17.303 9.960   1.00 1.25  1   AH 1 
HETATM 3604 C C18 . LIG_AH AH 41 .   ? -19.901 -18.353 9.929   1.00 1.27  1   AH 1 
HETATM 3605 O O1  . LIG_AH AH 41 .   ? -19.797 -19.004 8.954   1.00 1.66  1   AH 1 
HETATM 3606 O O2  . LIG_AH AH 41 .   ? -19.243 -18.523 10.955  1.00 1.63  1   AH 1 
HETATM 3607 C C19 . LIG_AH AH 41 .   ? -18.286 -19.437 10.965  1.00 1.25  1   AH 1 
HETATM 3608 C C20 . LIG_AH AH 41 .   ? -17.365 -19.230 12.086  1.00 1.29  1   AH 1 
HETATM 3609 C C21 . LIG_AH AH 41 .   ? -16.738 -20.496 12.544  1.00 1.34  1   AH 1 
HETATM 3610 O O3  . LIG_AH AH 41 .   ? -15.930 -20.980 11.613  1.00 1.37  1   AH 1 
HETATM 3611 P P1  . LIG_AH AH 41 .   ? -15.031 -22.188 11.925  1.00 1.22  1   AH 1 
HETATM 3612 O O4  . LIG_AH AH 41 .   ? -14.925 -22.946 10.720  1.00 1.21  1   AH 1 
HETATM 3613 O O5  . LIG_AH AH 41 .   ? -13.876 -21.781 12.603  1.00 1.20  1   AH 1 
HETATM 3614 O O6  . LIG_AH AH 41 .   ? -15.868 -22.933 12.979  1.00 1.34  1   AH 1 
HETATM 3615 C C22 . LIG_AH AH 41 .   ? -16.206 -24.150 12.972  1.00 1.34  1   AH 1 
HETATM 3616 C C23 . LIG_AH AH 41 .   ? -17.578 -24.318 13.188  1.00 1.34  1   AH 1 
HETATM 3617 N N1  . LIG_AH AH 41 .   ? -17.948 -25.440 13.882  1.00 2.01  1   AH 1 
HETATM 3618 C C24 . LIG_AH AH 41 .   ? -17.136 -26.547 13.546  1.00 1.40  1   AH 1 
HETATM 3619 C C25 . LIG_AH AH 41 .   ? -17.844 -25.198 15.262  1.00 1.51  1   AH 1 
HETATM 3620 C C26 . LIG_AH AH 41 .   ? -19.271 -25.708 13.535  1.00 1.49  1   AH 1 
HETATM 3621 O O7  . LIG_AH AH 41 .   ? -18.039 -18.741 13.181  1.00 1.50  1   AH 1 
HETATM 3622 C C27 . LIG_AH AH 41 .   ? -17.713 -17.572 13.534  1.00 1.44  1   AH 1 
HETATM 3623 O O8  . LIG_AH AH 41 .   ? -16.661 -17.066 13.220  1.00 1.51  1   AH 1 
HETATM 3624 C C28 . LIG_AH AH 41 .   ? -18.601 -16.938 14.218  1.00 1.31  1   AH 1 
HETATM 3625 C C29 . LIG_AH AH 41 .   ? -18.886 -15.867 14.465  1.00 1.39  1   AH 1 
HETATM 3626 C C30 . LIG_AH AH 41 .   ? -19.473 -14.997 14.846  1.00 1.37  1   AH 1 
HETATM 3627 C C31 . LIG_AH AH 41 .   ? -19.990 -14.042 15.155  1.00 1.36  1   AH 1 
HETATM 3628 C C32 . LIG_AH AH 41 .   ? -20.552 -13.138 15.504  1.00 1.56  1   AH 1 
HETATM 3629 C C33 . LIG_AH AH 41 .   ? -21.113 -12.195 15.838  1.00 1.51  1   AH 1 
HETATM 3630 C C34 . LIG_AH AH 41 .   ? -21.680 -11.266 16.167  1.00 1.49  1   AH 1 
HETATM 3631 C C35 . LIG_AH AH 41 .   ? -22.258 -10.322 16.479  1.00 1.58  1   AH 1 
HETATM 3632 C C36 . LIG_AH AH 41 .   ? -22.848 -9.381  16.750  1.00 1.70  1   AH 1 
HETATM 3633 C C37 . LIG_AH AH 41 .   ? -23.455 -8.437  16.995  1.00 1.69  1   AH 1 
HETATM 3634 C C38 . LIG_AH AH 41 .   ? -24.082 -7.486  17.197  1.00 1.50  1   AH 1 
HETATM 3635 C C39 . LIG_AH AH 41 .   ? -24.732 -6.531  17.355  1.00 1.70  1   AH 1 
HETATM 3636 C C40 . LIG_AH AH 41 .   ? -25.374 -5.591  17.439  1.00 1.82  1   AH 1 
HETATM 3637 C C41 . LIG_AH AH 41 .   ? -26.030 -4.641  17.468  1.00 1.55  1   AH 1 
HETATM 3638 C C42 . LIG_AH AH 41 .   ? -26.663 -3.740  17.449  1.00 1.59  1   AH 1 
HETATM 3639 C C43 . LIG_AH AH 41 .   ? -27.304 -2.837  17.465  1.00 1.33  1   AH 1 
HETATM 3640 C C44 . LIG_AH AH 41 .   ? -27.997 -1.888  17.540  1.00 1.45  1   AH 1 
HETATM 3641 C C1  . LIG_BH BH 42 .   ? -15.105 7.084   6.642   1.00 1.25  1   BH 1 
HETATM 3642 C C2  . LIG_BH BH 42 .   ? -15.204 8.363   6.473   1.00 1.24  1   BH 1 
HETATM 3643 C C3  . LIG_BH BH 42 .   ? -15.937 9.120   7.047   1.00 1.24  1   BH 1 
HETATM 3644 C C4  . LIG_BH BH 42 .   ? -16.114 10.339  7.056   1.00 1.29  1   BH 1 
HETATM 3645 C C5  . LIG_BH BH 42 .   ? -16.907 11.047  7.608   1.00 1.36  1   BH 1 
HETATM 3646 C C6  . LIG_BH BH 42 .   ? -17.209 12.158  7.608   1.00 1.31  1   BH 1 
HETATM 3647 C C7  . LIG_BH BH 42 .   ? -17.894 13.003  7.658   1.00 1.34  1   BH 1 
HETATM 3648 C C8  . LIG_BH BH 42 .   ? -17.995 14.058  7.260   1.00 1.39  1   BH 1 
HETATM 3649 C C9  . LIG_BH BH 42 .   ? -18.211 14.990  6.798   1.00 1.38  1   BH 1 
HETATM 3650 C C10 . LIG_BH BH 42 .   ? -18.287 15.985  6.334   1.00 1.43  1   BH 1 
HETATM 3651 C C11 . LIG_BH BH 42 .   ? -18.505 16.972  5.928   1.00 1.42  1   BH 1 
HETATM 3652 C C12 . LIG_BH BH 42 .   ? -18.673 18.054  5.905   1.00 1.48  1   BH 1 
HETATM 3653 C C13 . LIG_BH BH 42 .   ? -19.090 19.101  5.574   1.00 1.35  1   BH 1 
HETATM 3654 C C14 . LIG_BH BH 42 .   ? -19.289 20.119  6.154   1.00 1.32  1   BH 1 
HETATM 3655 C C15 . LIG_BH BH 42 .   ? -19.459 21.256  6.010   1.00 1.33  1   BH 1 
HETATM 3656 C C16 . LIG_BH BH 42 .   ? -19.606 22.259  6.735   1.00 1.30  1   BH 1 
HETATM 3657 C C17 . LIG_BH BH 42 .   ? -19.417 23.439  6.443   1.00 1.20  1   BH 1 
HETATM 3658 C C18 . LIG_BH BH 42 .   ? -19.618 24.465  7.288   1.00 1.21  1   BH 1 
HETATM 3659 O O1  . LIG_BH BH 42 .   ? -20.162 24.355  8.338   1.00 1.54  1   BH 1 
HETATM 3660 O O2  . LIG_BH BH 42 .   ? -19.165 25.509  6.860   1.00 1.43  1   BH 1 
HETATM 3661 C C19 . LIG_BH BH 42 .   ? -19.438 26.584  7.571   1.00 1.19  1   BH 1 
HETATM 3662 C C20 . LIG_BH BH 42 .   ? -19.629 27.713  6.650   1.00 1.22  1   BH 1 
HETATM 3663 C C21 . LIG_BH BH 42 .   ? -20.073 28.899  7.430   1.00 1.22  1   BH 1 
HETATM 3664 O O3  . LIG_BH BH 42 .   ? -19.193 29.871  7.194   1.00 1.32  1   BH 1 
HETATM 3665 P P1  . LIG_BH BH 42 .   ? -19.479 31.325  7.667   1.00 1.25  1   BH 1 
HETATM 3666 O O4  . LIG_BH BH 42 .   ? -19.777 31.290  9.078   1.00 1.21  1   BH 1 
HETATM 3667 O O5  . LIG_BH BH 42 .   ? -18.416 32.115  7.171   1.00 1.14  1   BH 1 
HETATM 3668 O O6  . LIG_BH BH 42 .   ? -20.794 31.602  6.860   1.00 1.28  1   BH 1 
HETATM 3669 C C22 . LIG_BH BH 42 .   ? -21.300 32.790  6.641   1.00 1.22  1   BH 1 
HETATM 3670 C C23 . LIG_BH BH 42 .   ? -22.698 32.787  6.907   1.00 1.20  1   BH 1 
HETATM 3671 N N1  . LIG_BH BH 42 .   ? -23.025 32.307  8.078   1.00 1.65  1   BH 1 
HETATM 3672 O O7  . LIG_BH BH 42 .   ? -20.590 27.392  5.728   1.00 1.22  1   BH 1 
HETATM 3673 C C24 . LIG_BH BH 42 .   ? -20.300 27.570  4.494   1.00 1.20  1   BH 1 
HETATM 3674 O O8  . LIG_BH BH 42 .   ? -19.605 28.462  4.132   1.00 1.27  1   BH 1 
HETATM 3675 C C25 . LIG_BH BH 42 .   ? -20.853 26.637  3.618   1.00 1.23  1   BH 1 
HETATM 3676 C C26 . LIG_BH BH 42 .   ? -19.893 25.866  2.991   1.00 1.32  1   BH 1 
HETATM 3677 C C27 . LIG_BH BH 42 .   ? -20.166 24.676  2.635   1.00 1.37  1   BH 1 
HETATM 3678 C C28 . LIG_BH BH 42 .   ? -19.557 23.803  2.128   1.00 1.23  1   BH 1 
HETATM 3679 C C29 . LIG_BH BH 42 .   ? -19.490 22.661  1.863   1.00 1.23  1   BH 1 
HETATM 3680 C C30 . LIG_BH BH 42 .   ? -18.852 21.866  1.280   1.00 1.30  1   BH 1 
HETATM 3681 C C31 . LIG_BH BH 42 .   ? -18.574 20.754  1.038   1.00 1.25  1   BH 1 
HETATM 3682 C C32 . LIG_BH BH 42 .   ? -17.886 20.096  0.414   1.00 1.32  1   BH 1 
HETATM 3683 C C33 . LIG_BH BH 42 .   ? -17.513 19.191  -0.098  1.00 1.23  1   BH 1 
HETATM 3684 C C34 . LIG_BH BH 42 .   ? -16.984 18.707  -1.009  1.00 1.25  1   BH 1 
HETATM 3685 C C35 . LIG_BH BH 42 .   ? -17.076 18.144  -1.968  1.00 1.28  1   BH 1 
HETATM 3686 C C36 . LIG_BH BH 42 .   ? -16.754 17.906  -3.084  1.00 1.36  1   BH 1 
HETATM 3687 C C37 . LIG_BH BH 42 .   ? -17.356 17.541  -4.086  1.00 1.42  1   BH 1 
HETATM 3688 C C38 . LIG_BH BH 42 .   ? -17.088 17.449  -5.275  1.00 1.31  1   BH 1 
HETATM 3689 C C39 . LIG_BH BH 42 .   ? -17.748 17.165  -6.292  1.00 1.29  1   BH 1 
HETATM 3690 C C40 . LIG_BH BH 42 .   ? -17.466 17.054  -7.446  1.00 1.32  1   BH 1 
HETATM 3691 C C41 . LIG_BH BH 42 .   ? -18.115 16.804  -8.491  1.00 1.27  1   BH 1 
HETATM 3692 C C1  . LIG_AI AI 43 .   ? -9.346  7.778   12.748  1.00 2.10  1   AI 1 
HETATM 3693 C C2  . LIG_AI AI 43 .   ? -10.033 7.089   12.639  1.00 2.02  1   AI 1 
HETATM 3694 C C3  . LIG_AI AI 43 .   ? -9.798  6.089   12.267  1.00 1.84  1   AI 1 
HETATM 3695 C C4  . LIG_AI AI 43 .   ? -9.032  5.330   11.959  1.00 2.12  1   AI 1 
HETATM 3696 C C5  . LIG_AI AI 43 .   ? -8.302  4.541   11.631  1.00 2.05  1   AI 1 
HETATM 3697 C C6  . LIG_AI AI 43 .   ? -7.483  3.838   11.313  1.00 1.82  1   AI 1 
HETATM 3698 C C7  . LIG_AI AI 43 .   ? -6.695  3.130   10.976  1.00 1.76  1   AI 1 
HETATM 3699 C C8  . LIG_AI AI 43 .   ? -5.856  2.465   10.631  1.00 1.79  1   AI 1 
HETATM 3700 C C9  . LIG_AI AI 43 .   ? -5.036  1.801   10.277  1.00 1.85  1   AI 1 
HETATM 3701 C C10 . LIG_AI AI 43 .   ? -4.154  1.137   9.935   1.00 2.01  1   AI 1 
HETATM 3702 C C11 . LIG_AI AI 43 .   ? -3.337  0.466   9.555   1.00 1.94  1   AI 1 
HETATM 3703 C C12 . LIG_AI AI 43 .   ? -2.460  -0.206  9.218   1.00 2.13  1   AI 1 
HETATM 3704 C C13 . LIG_AI AI 43 .   ? -1.624  -0.872  8.819   1.00 1.58  1   AI 1 
HETATM 3705 C C14 . LIG_AI AI 43 .   ? -0.691  -1.468  8.508   1.00 1.61  1   AI 1 
HETATM 3706 C C15 . LIG_AI AI 43 .   ? 0.136   -2.079  8.060   1.00 1.58  1   AI 1 
HETATM 3707 C C16 . LIG_AI AI 43 .   ? 1.169   -2.561  7.832   1.00 1.64  1   AI 1 
HETATM 3708 C C17 . LIG_AI AI 43 .   ? 1.992   -3.073  7.272   1.00 1.45  1   AI 1 
HETATM 3709 C C18 . LIG_AI AI 43 .   ? 3.277   -3.376  7.383   1.00 1.65  1   AI 1 
HETATM 3710 O O1  . LIG_AI AI 43 .   ? 3.714   -3.737  8.428   1.00 2.31  1   AI 1 
HETATM 3711 O O2  . LIG_AI AI 43 .   ? 3.982   -3.217  6.351   1.00 2.16  1   AI 1 
HETATM 3712 C C19 . LIG_AI AI 43 .   ? 5.313   -3.312  6.504   1.00 1.54  1   AI 1 
HETATM 3713 C C20 . LIG_AI AI 43 .   ? 6.020   -2.068  6.126   1.00 1.95  1   AI 1 
HETATM 3714 C C21 . LIG_AI AI 43 .   ? 7.459   -2.353  5.910   1.00 1.99  1   AI 1 
HETATM 3715 O O3  . LIG_AI AI 43 .   ? 7.855   -1.685  4.828   1.00 2.17  1   AI 1 
HETATM 3716 P P1  . LIG_AI AI 43 .   ? 9.298   -1.226  4.651   1.00 2.19  1   AI 1 
HETATM 3717 O O4  . LIG_AI AI 43 .   ? 10.013  -1.286  5.886   1.00 2.21  1   AI 1 
HETATM 3718 O O5  . LIG_AI AI 43 .   ? 9.280   -0.061  3.865   1.00 3.07  1   AI 1 
HETATM 3719 O O6  . LIG_AI AI 43 .   ? 9.835   -2.390  3.779   1.00 2.64  1   AI 1 
HETATM 3720 C C22 . LIG_AI AI 43 .   ? 10.844  -2.178  3.010   1.00 3.09  1   AI 1 
HETATM 3721 C C23 . LIG_AI AI 43 .   ? 11.778  -3.178  3.013   1.00 3.00  1   AI 1 
HETATM 3722 N N1  . LIG_AI AI 43 .   ? 11.475  -4.275  2.230   1.00 4.32  1   AI 1 
HETATM 3723 C C24 . LIG_AI AI 43 .   ? 10.949  -5.289  3.070   1.00 2.96  1   AI 1 
HETATM 3724 C C25 . LIG_AI AI 43 .   ? 12.641  -4.727  1.615   1.00 3.13  1   AI 1 
HETATM 3725 C C26 . LIG_AI AI 43 .   ? 10.526  -3.923  1.241   1.00 3.47  1   AI 1 
HETATM 3726 O O7  . LIG_AI AI 43 .   ? 5.942   -1.172  7.187   1.00 2.16  1   AI 1 
HETATM 3727 C C27 . LIG_AI AI 43 .   ? 5.379   -0.061  6.968   1.00 2.15  1   AI 1 
HETATM 3728 O O8  . LIG_AI AI 43 .   ? 5.002   0.255   5.875   1.00 2.07  1   AI 1 
HETATM 3729 C C28 . LIG_AI AI 43 .   ? 5.182   0.690   8.039   1.00 1.87  1   AI 1 
HETATM 3730 C C29 . LIG_AI AI 43 .   ? 4.243   1.340   8.320   1.00 1.96  1   AI 1 
HETATM 3731 C C30 . LIG_AI AI 43 .   ? 3.512   1.924   8.932   1.00 1.93  1   AI 1 
HETATM 3732 C C31 . LIG_AI AI 43 .   ? 2.609   2.447   9.340   1.00 1.77  1   AI 1 
HETATM 3733 C C32 . LIG_AI AI 43 .   ? 1.803   3.000   9.832   1.00 2.01  1   AI 1 
HETATM 3734 C C33 . LIG_AI AI 43 .   ? 0.932   3.579   10.215  1.00 1.78  1   AI 1 
HETATM 3735 C C34 . LIG_AI AI 43 .   ? 0.079   4.187   10.593  1.00 1.73  1   AI 1 
HETATM 3736 C C35 . LIG_AI AI 43 .   ? -0.797  4.809   10.891  1.00 1.73  1   AI 1 
HETATM 3737 C C36 . LIG_AI AI 43 .   ? -1.687  5.449   11.092  1.00 1.87  1   AI 1 
HETATM 3738 C C37 . LIG_AI AI 43 .   ? -2.603  6.101   11.214  1.00 1.83  1   AI 1 
HETATM 3739 C C38 . LIG_AI AI 43 .   ? -3.530  6.734   11.315  1.00 1.64  1   AI 1 
HETATM 3740 C C39 . LIG_AI AI 43 .   ? -4.463  7.359   11.445  1.00 1.72  1   AI 1 
HETATM 3741 C C40 . LIG_AI AI 43 .   ? -5.420  7.872   11.704  1.00 1.79  1   AI 1 
HETATM 3742 C C41 . LIG_AI AI 43 .   ? -6.370  8.283   12.108  1.00 1.51  1   AI 1 
HETATM 3743 C C42 . LIG_AI AI 43 .   ? -7.226  8.586   12.641  1.00 1.47  1   AI 1 
HETATM 3744 C C43 . LIG_AI AI 43 .   ? -8.042  8.898   13.228  1.00 1.31  1   AI 1 
HETATM 3745 C C44 . LIG_AI AI 43 .   ? -8.827  9.316   13.970  1.00 1.34  1   AI 1 
HETATM 3746 C C1  . LIG_BI BI 44 .   ? -15.102 12.154  -3.838  1.00 1.31  1   BI 1 
HETATM 3747 C C2  . LIG_BI BI 44 .   ? -14.932 10.987  -3.371  1.00 1.34  1   BI 1 
HETATM 3748 C C3  . LIG_BI BI 44 .   ? -14.217 10.088  -3.680  1.00 1.35  1   BI 1 
HETATM 3749 C C4  . LIG_BI BI 44 .   ? -13.929 8.961   -3.319  1.00 1.40  1   BI 1 
HETATM 3750 C C5  . LIG_BI BI 44 .   ? -13.261 8.035   -3.622  1.00 1.45  1   BI 1 
HETATM 3751 C C6  . LIG_BI BI 44 .   ? -12.868 6.996   -3.516  1.00 1.33  1   BI 1 
HETATM 3752 C C7  . LIG_BI BI 44 .   ? -12.332 6.062   -3.775  1.00 1.36  1   BI 1 
HETATM 3753 C C8  . LIG_BI BI 44 .   ? -11.930 5.050   -3.864  1.00 1.49  1   BI 1 
HETATM 3754 C C9  . LIG_BI BI 44 .   ? -11.506 4.086   -4.066  1.00 1.50  1   BI 1 
HETATM 3755 C C10 . LIG_BI BI 44 .   ? -11.062 3.116   -4.346  1.00 1.63  1   BI 1 
HETATM 3756 C C11 . LIG_BI BI 44 .   ? -10.620 2.174   -4.672  1.00 1.55  1   BI 1 
HETATM 3757 C C12 . LIG_BI BI 44 .   ? -10.078 1.317   -5.134  1.00 2.05  1   BI 1 
HETATM 3758 C C13 . LIG_BI BI 44 .   ? -9.585  0.348   -5.416  1.00 1.70  1   BI 1 
HETATM 3759 C C14 . LIG_BI BI 44 .   ? -8.922  -0.309  -6.045  1.00 1.78  1   BI 1 
HETATM 3760 C C15 . LIG_BI BI 44 .   ? -8.390  -1.335  -6.238  1.00 1.86  1   BI 1 
HETATM 3761 C C16 . LIG_BI BI 44 .   ? -7.612  -1.739  -7.140  1.00 2.00  1   BI 1 
HETATM 3762 C C17 . LIG_BI BI 44 .   ? -7.070  -2.892  -7.168  1.00 1.61  1   BI 1 
HETATM 3763 C C18 . LIG_BI BI 44 .   ? -6.258  -3.230  -8.199  1.00 1.74  1   BI 1 
HETATM 3764 O O1  . LIG_BI BI 44 .   ? -5.891  -4.360  -8.345  1.00 2.07  1   BI 1 
HETATM 3765 O O2  . LIG_BI BI 44 .   ? -5.932  -2.282  -8.951  1.00 2.18  1   BI 1 
HETATM 3766 C C19 . LIG_BI BI 44 .   ? -5.125  -2.596  -9.944  1.00 1.82  1   BI 1 
HETATM 3767 C C20 . LIG_BI BI 44 .   ? -4.853  -1.434  -10.796 1.00 2.50  1   BI 1 
HETATM 3768 C C21 . LIG_BI BI 44 .   ? -4.167  -1.889  -12.029 1.00 2.55  1   BI 1 
HETATM 3769 O O3  . LIG_BI BI 44 .   ? -4.009  -3.237  -11.987 1.00 2.94  1   BI 1 
HETATM 3770 P P1  . LIG_BI BI 44 .   ? -4.001  -4.053  -13.305 1.00 2.54  1   BI 1 
HETATM 3771 O O4  . LIG_BI BI 44 .   ? -3.983  -5.458  -12.956 1.00 2.07  1   BI 1 
HETATM 3772 O O5  . LIG_BI BI 44 .   ? -4.988  -3.589  -14.187 1.00 2.64  1   BI 1 
HETATM 3773 O O6  . LIG_BI BI 44 .   ? -2.599  -3.561  -13.763 1.00 2.86  1   BI 1 
HETATM 3774 C C22 . LIG_BI BI 44 .   ? -1.792  -4.214  -14.397 1.00 2.74  1   BI 1 
HETATM 3775 C C23 . LIG_BI BI 44 .   ? -1.009  -5.109  -13.654 1.00 2.62  1   BI 1 
HETATM 3776 N N1  . LIG_BI BI 44 .   ? -0.469  -5.998  -14.450 1.00 6.33  1   BI 1 
HETATM 3777 O O7  . LIG_BI BI 44 .   ? -3.984  -0.625  -10.066 1.00 2.17  1   BI 1 
HETATM 3778 C C24 . LIG_BI BI 44 .   ? -4.121  0.628   -10.194 1.00 2.60  1   BI 1 
HETATM 3779 O O8  . LIG_BI BI 44 .   ? -4.655  1.121   -11.138 1.00 2.31  1   BI 1 
HETATM 3780 C C25 . LIG_BI BI 44 .   ? -3.590  1.383   -9.139  1.00 3.14  1   BI 1 
HETATM 3781 C C26 . LIG_BI BI 44 .   ? -4.213  2.554   -8.896  1.00 4.21  1   BI 1 
HETATM 3782 C C27 . LIG_BI BI 44 .   ? -3.997  3.159   -7.727  1.00 4.47  1   BI 1 
HETATM 3783 C C28 . LIG_BI BI 44 .   ? -4.956  3.735   -7.124  1.00 2.82  1   BI 1 
HETATM 3784 C C29 . LIG_BI BI 44 .   ? -5.744  4.597   -7.163  1.00 2.69  1   BI 1 
HETATM 3785 C C30 . LIG_BI BI 44 .   ? -6.699  5.227   -6.789  1.00 2.35  1   BI 1 
HETATM 3786 C C31 . LIG_BI BI 44 .   ? -7.504  6.074   -6.996  1.00 2.08  1   BI 1 
HETATM 3787 C C32 . LIG_BI BI 44 .   ? -8.470  6.703   -6.765  1.00 2.09  1   BI 1 
HETATM 3788 C C33 . LIG_BI BI 44 .   ? -9.270  7.477   -7.099  1.00 1.67  1   BI 1 
HETATM 3789 C C34 . LIG_BI BI 44 .   ? -10.212 8.157   -6.988  1.00 1.61  1   BI 1 
HETATM 3790 C C35 . LIG_BI BI 44 .   ? -10.957 8.923   -7.512  1.00 1.68  1   BI 1 
HETATM 3791 C C36 . LIG_BI BI 44 .   ? -11.944 9.605   -7.294  1.00 1.86  1   BI 1 
HETATM 3792 C C37 . LIG_BI BI 44 .   ? -12.674 10.386  -7.877  1.00 1.94  1   BI 1 
HETATM 3793 C C38 . LIG_BI BI 44 .   ? -13.607 11.104  -7.608  1.00 1.63  1   BI 1 
HETATM 3794 C C39 . LIG_BI BI 44 .   ? -14.361 11.973  -7.769  1.00 1.56  1   BI 1 
HETATM 3795 C C40 . LIG_BI BI 44 .   ? -15.178 12.710  -7.497  1.00 1.50  1   BI 1 
HETATM 3796 C C41 . LIG_BI BI 44 .   ? -15.976 13.608  -7.458  1.00 1.39  1   BI 1 
HETATM 3797 C C1  . LIG_AJ AJ 45 .   ? -7.330  9.397   18.221  1.00 2.05  1   AJ 1 
HETATM 3798 C C2  . LIG_AJ AJ 45 .   ? -7.948  8.761   17.540  1.00 1.99  1   AJ 1 
HETATM 3799 C C3  . LIG_AJ AJ 45 .   ? -7.748  7.862   16.853  1.00 1.83  1   AJ 1 
HETATM 3800 C C4  . LIG_AJ AJ 45 .   ? -7.152  7.027   16.346  1.00 2.16  1   AJ 1 
HETATM 3801 C C5  . LIG_AJ AJ 45 .   ? -6.544  6.191   15.827  1.00 1.99  1   AJ 1 
HETATM 3802 C C6  . LIG_AJ AJ 45 .   ? -5.832  5.388   15.385  1.00 1.83  1   AJ 1 
HETATM 3803 C C7  . LIG_AJ AJ 45 .   ? -5.123  4.583   14.992  1.00 1.77  1   AJ 1 
HETATM 3804 C C8  . LIG_AJ AJ 45 .   ? -4.385  3.785   14.644  1.00 1.78  1   AJ 1 
HETATM 3805 C C9  . LIG_AJ AJ 45 .   ? -3.646  2.989   14.344  1.00 1.83  1   AJ 1 
HETATM 3806 C C10 . LIG_AJ AJ 45 .   ? -2.867  2.169   14.046  1.00 2.00  1   AJ 1 
HETATM 3807 C C11 . LIG_AJ AJ 45 .   ? -2.113  1.376   13.765  1.00 1.83  1   AJ 1 
HETATM 3808 C C12 . LIG_AJ AJ 45 .   ? -1.337  0.555   13.485  1.00 2.00  1   AJ 1 
HETATM 3809 C C13 . LIG_AJ AJ 45 .   ? -0.614  -0.275  13.214  1.00 1.56  1   AJ 1 
HETATM 3810 C C14 . LIG_AJ AJ 45 .   ? 0.189   -1.070  12.941  1.00 1.56  1   AJ 1 
HETATM 3811 C C15 . LIG_AJ AJ 45 .   ? 0.831   -1.948  12.693  1.00 1.53  1   AJ 1 
HETATM 3812 C C16 . LIG_AJ AJ 45 .   ? 1.697   -2.717  12.412  1.00 1.53  1   AJ 1 
HETATM 3813 C C17 . LIG_AJ AJ 45 .   ? 2.123   -3.734  12.197  1.00 1.33  1   AJ 1 
HETATM 3814 C C18 . LIG_AJ AJ 45 .   ? 3.211   -4.411  11.904  1.00 1.43  1   AJ 1 
HETATM 3815 O O1  . LIG_AJ AJ 45 .   ? 3.174   -5.591  11.823  1.00 1.96  1   AJ 1 
HETATM 3816 O O2  . LIG_AJ AJ 45 .   ? 4.229   -3.719  11.705  1.00 1.87  1   AJ 1 
HETATM 3817 C C19 . LIG_AJ AJ 45 .   ? 5.364   -4.331  11.426  1.00 1.38  1   AJ 1 
HETATM 3818 C C20 . LIG_AJ AJ 45 .   ? 6.480   -3.385  11.251  1.00 1.49  1   AJ 1 
HETATM 3819 C C21 . LIG_AJ AJ 45 .   ? 7.764   -4.108  11.127  1.00 1.52  1   AJ 1 
HETATM 3820 O O3  . LIG_AJ AJ 45 .   ? 7.580   -5.121  10.287  1.00 1.60  1   AJ 1 
HETATM 3821 P P1  . LIG_AJ AJ 45 .   ? 8.697   -6.081  9.962   1.00 1.45  1   AJ 1 
HETATM 3822 O O4  . LIG_AJ AJ 45 .   ? 9.445   -6.434  11.121  1.00 1.33  1   AJ 1 
HETATM 3823 O O5  . LIG_AJ AJ 45 .   ? 8.139   -7.103  9.170   1.00 1.48  1   AJ 1 
HETATM 3824 O O6  . LIG_AJ AJ 45 .   ? 9.540   -5.071  9.089   1.00 1.69  1   AJ 1 
HETATM 3825 C C22 . LIG_AJ AJ 45 .   ? 10.545  -5.359  8.433   1.00 1.72  1   AJ 1 
HETATM 3826 C C23 . LIG_AJ AJ 45 .   ? 10.208  -6.120  7.332   1.00 1.68  1   AJ 1 
HETATM 3827 N N1  . LIG_AJ AJ 45 .   ? 11.197  -6.909  6.832   1.00 2.68  1   AJ 1 
HETATM 3828 C C24 . LIG_AJ AJ 45 .   ? 10.597  -7.916  6.025   1.00 1.82  1   AJ 1 
HETATM 3829 C C25 . LIG_AJ AJ 45 .   ? 11.955  -7.522  7.881   1.00 1.72  1   AJ 1 
HETATM 3830 C C26 . LIG_AJ AJ 45 .   ? 12.049  -6.112  6.054   1.00 1.93  1   AJ 1 
HETATM 3831 O O7  . LIG_AJ AJ 45 .   ? 6.565   -2.596  12.384  1.00 1.73  1   AJ 1 
HETATM 3832 C C27 . LIG_AJ AJ 45 .   ? 6.305   -1.365  12.220  1.00 1.68  1   AJ 1 
HETATM 3833 O O8  . LIG_AJ AJ 45 .   ? 6.303   -0.870  11.129  1.00 1.82  1   AJ 1 
HETATM 3834 C C28 . LIG_AJ AJ 45 .   ? 5.992   -0.701  13.331  1.00 1.49  1   AJ 1 
HETATM 3835 C C29 . LIG_AJ AJ 45 .   ? 5.068   -0.029  13.637  1.00 1.61  1   AJ 1 
HETATM 3836 C C30 . LIG_AJ AJ 45 .   ? 4.368   0.614   14.273  1.00 1.60  1   AJ 1 
HETATM 3837 C C31 . LIG_AJ AJ 45 .   ? 3.518   1.262   14.699  1.00 1.58  1   AJ 1 
HETATM 3838 C C32 . LIG_AJ AJ 45 .   ? 2.764   1.928   15.241  1.00 1.74  1   AJ 1 
HETATM 3839 C C33 . LIG_AJ AJ 45 .   ? 1.955   2.618   15.683  1.00 1.60  1   AJ 1 
HETATM 3840 C C34 . LIG_AJ AJ 45 .   ? 1.190   3.366   16.141  1.00 1.60  1   AJ 1 
HETATM 3841 C C35 . LIG_AJ AJ 45 .   ? 0.440   4.123   16.591  1.00 1.60  1   AJ 1 
HETATM 3842 C C36 . LIG_AJ AJ 45 .   ? -0.300  4.914   17.023  1.00 1.69  1   AJ 1 
HETATM 3843 C C37 . LIG_AJ AJ 45 .   ? -1.027  5.711   17.451  1.00 1.70  1   AJ 1 
HETATM 3844 C C38 . LIG_AJ AJ 45 .   ? -1.758  6.521   17.890  1.00 1.55  1   AJ 1 
HETATM 3845 C C39 . LIG_AJ AJ 45 .   ? -2.500  7.335   18.317  1.00 1.63  1   AJ 1 
HETATM 3846 C C40 . LIG_AJ AJ 45 .   ? -3.265  8.124   18.716  1.00 1.74  1   AJ 1 
HETATM 3847 C C41 . LIG_AJ AJ 45 .   ? -4.062  8.893   19.070  1.00 1.48  1   AJ 1 
HETATM 3848 C C42 . LIG_AJ AJ 45 .   ? -4.827  9.622   19.369  1.00 1.50  1   AJ 1 
HETATM 3849 C C43 . LIG_AJ AJ 45 .   ? -5.537  10.412  19.702  1.00 1.30  1   AJ 1 
HETATM 3850 C C44 . LIG_AJ AJ 45 .   ? -6.230  11.285  20.122  1.00 1.37  1   AJ 1 
HETATM 3851 C C1  . LIG_BJ BJ 46 .   ? 3.649   12.148  22.394  1.00 1.35  1   BJ 1 
HETATM 3852 C C2  . LIG_BJ BJ 46 .   ? 4.589   11.682  21.807  1.00 1.39  1   BJ 1 
HETATM 3853 C C3  . LIG_BJ BJ 46 .   ? 5.612   11.396  21.582  1.00 1.45  1   BJ 1 
HETATM 3854 C C4  . LIG_BJ BJ 46 .   ? 6.619   11.054  21.182  1.00 1.49  1   BJ 1 
HETATM 3855 C C5  . LIG_BJ BJ 46 .   ? 7.729   10.997  21.131  1.00 1.52  1   BJ 1 
HETATM 3856 C C6  . LIG_BJ BJ 46 .   ? 8.799   10.826  21.134  1.00 1.37  1   BJ 1 
HETATM 3857 C C7  . LIG_BJ BJ 46 .   ? 9.882   10.766  21.282  1.00 1.39  1   BJ 1 
HETATM 3858 C C8  . LIG_BJ BJ 46 .   ? 10.837  10.480  21.619  1.00 1.46  1   BJ 1 
HETATM 3859 C C9  . LIG_BJ BJ 46 .   ? 11.655  10.003  22.096  1.00 1.49  1   BJ 1 
HETATM 3860 C C10 . LIG_BJ BJ 46 .   ? 12.444  9.425   22.551  1.00 1.55  1   BJ 1 
HETATM 3861 C C11 . LIG_BJ BJ 46 .   ? 13.267  8.787   22.899  1.00 1.50  1   BJ 1 
HETATM 3862 C C12 . LIG_BJ BJ 46 .   ? 14.010  8.060   23.159  1.00 1.63  1   BJ 1 
HETATM 3863 C C13 . LIG_BJ BJ 46 .   ? 14.820  7.275   23.258  1.00 1.40  1   BJ 1 
HETATM 3864 C C14 . LIG_BJ BJ 46 .   ? 15.231  6.268   22.852  1.00 1.41  1   BJ 1 
HETATM 3865 C C15 . LIG_BJ BJ 46 .   ? 16.116  5.489   22.784  1.00 1.41  1   BJ 1 
HETATM 3866 C C16 . LIG_BJ BJ 46 .   ? 16.424  4.469   22.125  1.00 1.36  1   BJ 1 
HETATM 3867 C C17 . LIG_BJ BJ 46 .   ? 17.516  3.794   22.173  1.00 1.22  1   BJ 1 
HETATM 3868 C C18 . LIG_BJ BJ 46 .   ? 17.829  2.807   21.304  1.00 1.24  1   BJ 1 
HETATM 3869 O O1  . LIG_BJ BJ 46 .   ? 18.958  2.487   21.129  1.00 1.45  1   BJ 1 
HETATM 3870 O O2  . LIG_BJ BJ 46 .   ? 16.866  2.279   20.709  1.00 1.44  1   BJ 1 
HETATM 3871 C C19 . LIG_BJ BJ 46 .   ? 17.150  1.322   19.822  1.00 1.18  1   BJ 1 
HETATM 3872 C C20 . LIG_BJ BJ 46 .   ? 15.934  0.574   19.513  1.00 1.25  1   BJ 1 
HETATM 3873 C C21 . LIG_BJ BJ 46 .   ? 16.171  -0.314  18.362  1.00 1.25  1   BJ 1 
HETATM 3874 O O3  . LIG_BJ BJ 46 .   ? 16.522  -1.527  18.787  1.00 1.33  1   BJ 1 
HETATM 3875 P P1  . LIG_BJ BJ 46 .   ? 17.465  -2.331  17.897  1.00 1.21  1   BJ 1 
HETATM 3876 O O4  . LIG_BJ BJ 46 .   ? 17.431  -1.790  16.561  1.00 1.20  1   BJ 1 
HETATM 3877 O O5  . LIG_BJ BJ 46 .   ? 18.698  -2.475  18.565  1.00 1.19  1   BJ 1 
HETATM 3878 O O6  . LIG_BJ BJ 46 .   ? 16.658  -3.680  17.908  1.00 1.31  1   BJ 1 
HETATM 3879 C C22 . LIG_BJ BJ 46 .   ? 16.564  -4.462  16.898  1.00 1.19  1   BJ 1 
HETATM 3880 C C23 . LIG_BJ BJ 46 .   ? 17.633  -5.375  16.873  1.00 1.16  1   BJ 1 
HETATM 3881 N N1  . LIG_BJ BJ 46 .   ? 18.798  -4.848  16.494  1.00 1.67  1   BJ 1 
HETATM 3882 O O7  . LIG_BJ BJ 46 .   ? 14.952  1.447   19.123  1.00 1.32  1   BJ 1 
HETATM 3883 C C24 . LIG_BJ BJ 46 .   ? 13.870  1.321   19.723  1.00 1.26  1   BJ 1 
HETATM 3884 O O8  . LIG_BJ BJ 46 .   ? 13.638  0.408   20.450  1.00 1.34  1   BJ 1 
HETATM 3885 C C25 . LIG_BJ BJ 46 .   ? 13.009  2.364   19.449  1.00 1.26  1   BJ 1 
HETATM 3886 C C26 . LIG_BJ BJ 46 .   ? 12.401  2.815   20.538  1.00 1.38  1   BJ 1 
HETATM 3887 C C27 . LIG_BJ BJ 46 .   ? 11.833  3.985   20.460  1.00 1.45  1   BJ 1 
HETATM 3888 C C28 . LIG_BJ BJ 46 .   ? 11.277  4.448   21.464  1.00 1.33  1   BJ 1 
HETATM 3889 C C29 . LIG_BJ BJ 46 .   ? 10.582  5.297   21.801  1.00 1.34  1   BJ 1 
HETATM 3890 C C30 . LIG_BJ BJ 46 .   ? 9.931   5.640   22.691  1.00 1.35  1   BJ 1 
HETATM 3891 C C31 . LIG_BJ BJ 46 .   ? 9.263   6.195   23.336  1.00 1.34  1   BJ 1 
HETATM 3892 C C32 . LIG_BJ BJ 46 .   ? 8.703   6.628   24.169  1.00 1.39  1   BJ 1 
HETATM 3893 C C33 . LIG_BJ BJ 46 .   ? 8.219   7.185   24.915  1.00 1.34  1   BJ 1 
HETATM 3894 C C34 . LIG_BJ BJ 46 .   ? 7.828   7.807   25.736  1.00 1.30  1   BJ 1 
HETATM 3895 C C35 . LIG_BJ BJ 46 .   ? 7.454   8.493   26.432  1.00 1.36  1   BJ 1 
HETATM 3896 C C36 . LIG_BJ BJ 46 .   ? 7.172   9.256   27.268  1.00 1.49  1   BJ 1 
HETATM 3897 C C37 . LIG_BJ BJ 46 .   ? 6.847   10.420  27.244  1.00 1.50  1   BJ 1 
HETATM 3898 C C38 . LIG_BJ BJ 46 .   ? 6.630   11.306  27.993  1.00 1.34  1   BJ 1 
HETATM 3899 C C39 . LIG_BJ BJ 46 .   ? 6.227   12.444  27.964  1.00 1.33  1   BJ 1 
HETATM 3900 C C40 . LIG_BJ BJ 46 .   ? 5.694   13.214  27.380  1.00 1.34  1   BJ 1 
HETATM 3901 C C41 . LIG_BJ BJ 46 .   ? 5.251   14.349  27.274  1.00 1.33  1   BJ 1 
HETATM 3902 C C1  . LIG_AK AK 47 .   ? -14.559 2.279   17.439  1.00 2.07  1   AK 1 
HETATM 3903 C C2  . LIG_AK AK 47 .   ? -15.430 1.988   17.765  1.00 2.00  1   AK 1 
HETATM 3904 C C3  . LIG_AK AK 47 .   ? -16.256 2.433   18.285  1.00 1.92  1   AK 1 
HETATM 3905 C C4  . LIG_AK AK 47 .   ? -16.602 3.247   18.855  1.00 2.16  1   AK 1 
HETATM 3906 C C5  . LIG_AK AK 47 .   ? -16.848 4.140   19.400  1.00 2.02  1   AK 1 
HETATM 3907 C C6  . LIG_AK AK 47 .   ? -16.946 5.140   19.860  1.00 1.79  1   AK 1 
HETATM 3908 C C7  . LIG_AK AK 47 .   ? -17.013 6.162   20.189  1.00 1.78  1   AK 1 
HETATM 3909 C C8  . LIG_AK AK 47 .   ? -17.104 7.228   20.421  1.00 1.68  1   AK 1 
HETATM 3910 C C9  . LIG_AK AK 47 .   ? -17.224 8.300   20.535  1.00 1.76  1   AK 1 
HETATM 3911 C C10 . LIG_AK AK 47 .   ? -17.433 9.401   20.597  1.00 1.84  1   AK 1 
HETATM 3912 C C11 . LIG_AK AK 47 .   ? -17.723 10.456  20.558  1.00 1.66  1   AK 1 
HETATM 3913 C C12 . LIG_AK AK 47 .   ? -18.081 11.506  20.510  1.00 1.75  1   AK 1 
HETATM 3914 C C13 . LIG_AK AK 47 .   ? -18.484 12.519  20.419  1.00 1.38  1   AK 1 
HETATM 3915 C C14 . LIG_AK AK 47 .   ? -18.958 13.531  20.317  1.00 1.35  1   AK 1 
HETATM 3916 C C15 . LIG_AK AK 47 .   ? -19.400 14.507  20.221  1.00 1.33  1   AK 1 
HETATM 3917 C C16 . LIG_AK AK 47 .   ? -19.957 15.503  20.144  1.00 1.32  1   AK 1 
HETATM 3918 C C17 . LIG_AK AK 47 .   ? -20.235 16.491  20.084  1.00 1.25  1   AK 1 
HETATM 3919 C C18 . LIG_AK AK 47 .   ? -21.007 17.515  20.066  1.00 1.29  1   AK 1 
HETATM 3920 O O1  . LIG_AK AK 47 .   ? -22.166 17.441  20.181  1.00 1.88  1   AK 1 
HETATM 3921 O O2  . LIG_AK AK 47 .   ? -20.359 18.542  19.907  1.00 1.78  1   AK 1 
HETATM 3922 C C19 . LIG_AK AK 47 .   ? -21.025 19.660  19.807  1.00 1.27  1   AK 1 
HETATM 3923 C C20 . LIG_AK AK 47 .   ? -20.217 20.673  19.126  1.00 1.28  1   AK 1 
HETATM 3924 C C21 . LIG_AK AK 47 .   ? -20.917 21.982  19.130  1.00 1.33  1   AK 1 
HETATM 3925 O O3  . LIG_AK AK 47 .   ? -21.433 22.198  20.351  1.00 1.42  1   AK 1 
HETATM 3926 P P1  . LIG_AK AK 47 .   ? -21.792 23.647  20.821  1.00 1.26  1   AK 1 
HETATM 3927 O O4  . LIG_AK AK 47 .   ? -22.404 24.342  19.742  1.00 1.28  1   AK 1 
HETATM 3928 O O5  . LIG_AK AK 47 .   ? -22.453 23.562  22.062  1.00 1.26  1   AK 1 
HETATM 3929 O O6  . LIG_AK AK 47 .   ? -20.367 24.193  21.098  1.00 1.37  1   AK 1 
HETATM 3930 C C22 . LIG_AK AK 47 .   ? -19.769 25.073  20.437  1.00 1.36  1   AK 1 
HETATM 3931 C C23 . LIG_AK AK 47 .   ? -18.457 25.234  20.841  1.00 1.32  1   AK 1 
HETATM 3932 N N1  . LIG_AK AK 47 .   ? -17.662 25.925  20.006  1.00 2.10  1   AK 1 
HETATM 3933 C C24 . LIG_AK AK 47 .   ? -18.023 27.296  19.958  1.00 1.39  1   AK 1 
HETATM 3934 C C25 . LIG_AK AK 47 .   ? -17.776 25.382  18.734  1.00 1.49  1   AK 1 
HETATM 3935 C C26 . LIG_AK AK 47 .   ? -16.357 25.765  20.454  1.00 1.46  1   AK 1 
HETATM 3936 O O7  . LIG_AK AK 47 .   ? -20.062 20.253  17.821  1.00 1.50  1   AK 1 
HETATM 3937 C C27 . LIG_AK AK 47 .   ? -18.866 20.141  17.418  1.00 1.48  1   AK 1 
HETATM 3938 O O8  . LIG_AK AK 47 .   ? -17.988 20.778  17.899  1.00 1.51  1   AK 1 
HETATM 3939 C C28 . LIG_AK AK 47 .   ? -18.659 19.218  16.502  1.00 1.31  1   AK 1 
HETATM 3940 C C29 . LIG_AK AK 47 .   ? -18.095 18.161  16.569  1.00 1.43  1   AK 1 
HETATM 3941 C C30 . LIG_AK AK 47 .   ? -17.698 17.124  16.467  1.00 1.42  1   AK 1 
HETATM 3942 C C31 . LIG_AK AK 47 .   ? -17.255 16.076  16.540  1.00 1.38  1   AK 1 
HETATM 3943 C C32 . LIG_AK AK 47 .   ? -16.852 15.045  16.581  1.00 1.54  1   AK 1 
HETATM 3944 C C33 . LIG_AK AK 47 .   ? -16.449 14.004  16.680  1.00 1.51  1   AK 1 
HETATM 3945 C C34 . LIG_AK AK 47 .   ? -16.057 12.943  16.767  1.00 1.51  1   AK 1 
HETATM 3946 C C35 . LIG_AK AK 47 .   ? -15.682 11.882  16.828  1.00 1.58  1   AK 1 
HETATM 3947 C C36 . LIG_AK AK 47 .   ? -15.332 10.794  16.838  1.00 1.66  1   AK 1 
HETATM 3948 C C37 . LIG_AK AK 47 .   ? -14.994 9.706   16.821  1.00 1.63  1   AK 1 
HETATM 3949 C C38 . LIG_AK AK 47 .   ? -14.668 8.599   16.783  1.00 1.50  1   AK 1 
HETATM 3950 C C39 . LIG_AK AK 47 .   ? -14.366 7.486   16.738  1.00 1.62  1   AK 1 
HETATM 3951 C C40 . LIG_AK AK 47 .   ? -14.080 6.380   16.683  1.00 1.76  1   AK 1 
HETATM 3952 C C41 . LIG_AK AK 47 .   ? -13.791 5.264   16.611  1.00 1.44  1   AK 1 
HETATM 3953 C C42 . LIG_AK AK 47 .   ? -13.490 4.200   16.554  1.00 1.45  1   AK 1 
HETATM 3954 C C43 . LIG_AK AK 47 .   ? -13.144 3.163   16.450  1.00 1.29  1   AK 1 
HETATM 3955 C C44 . LIG_AK AK 47 .   ? -12.617 2.066   16.265  1.00 1.35  1   AK 1 
HETATM 3956 C C1  . LIG_AL AL 48 .   ? -24.236 -2.198  9.800   1.00 2.19  1   AL 1 
HETATM 3957 C C2  . LIG_AL AL 48 .   ? -25.333 -2.148  10.135  1.00 2.12  1   AL 1 
HETATM 3958 C C3  . LIG_AL AL 48 .   ? -25.952 -3.050  10.160  1.00 1.95  1   AL 1 
HETATM 3959 C C4  . LIG_AL AL 48 .   ? -25.940 -4.158  9.967   1.00 2.39  1   AL 1 
HETATM 3960 C C5  . LIG_AL AL 48 .   ? -25.853 -5.261  9.769   1.00 2.05  1   AL 1 
HETATM 3961 C C6  . LIG_AL AL 48 .   ? -25.546 -6.321  9.506   1.00 1.84  1   AL 1 
HETATM 3962 C C7  . LIG_AL AL 48 .   ? -25.149 -7.321  9.236   1.00 1.74  1   AL 1 
HETATM 3963 C C8  . LIG_AL AL 48 .   ? -24.646 -8.278  8.943   1.00 1.70  1   AL 1 
HETATM 3964 C C9  . LIG_AL AL 48 .   ? -24.049 -9.163  8.651   1.00 1.68  1   AL 1 
HETATM 3965 C C10 . LIG_AL AL 48 .   ? -23.370 -10.029 8.343   1.00 1.73  1   AL 1 
HETATM 3966 C C11 . LIG_AL AL 48 .   ? -22.656 -10.840 8.050   1.00 1.60  1   AL 1 
HETATM 3967 C C12 . LIG_AL AL 48 .   ? -21.882 -11.634 7.791   1.00 1.66  1   AL 1 
HETATM 3968 C C13 . LIG_AL AL 48 .   ? -21.101 -12.397 7.515   1.00 1.35  1   AL 1 
HETATM 3969 C C14 . LIG_AL AL 48 .   ? -20.293 -13.180 7.333   1.00 1.33  1   AL 1 
HETATM 3970 C C15 . LIG_AL AL 48 .   ? -19.493 -13.932 7.082   1.00 1.32  1   AL 1 
HETATM 3971 C C16 . LIG_AL AL 48 .   ? -18.673 -14.732 7.068   1.00 1.32  1   AL 1 
HETATM 3972 C C17 . LIG_AL AL 48 .   ? -17.893 -15.462 6.763   1.00 1.24  1   AL 1 
HETATM 3973 C C18 . LIG_AL AL 48 .   ? -17.061 -16.302 7.259   1.00 1.28  1   AL 1 
HETATM 3974 O O1  . LIG_AL AL 48 .   ? -17.006 -16.418 8.444   1.00 1.75  1   AL 1 
HETATM 3975 O O2  . LIG_AL AL 48 .   ? -16.345 -16.934 6.501   1.00 1.63  1   AL 1 
HETATM 3976 C C19 . LIG_AL AL 48 .   ? -15.634 -17.860 7.080   1.00 1.23  1   AL 1 
HETATM 3977 C C20 . LIG_AL AL 48 .   ? -14.443 -18.209 6.313   1.00 1.28  1   AL 1 
HETATM 3978 C C21 . LIG_AL AL 48 .   ? -13.945 -19.544 6.739   1.00 1.33  1   AL 1 
HETATM 3979 O O3  . LIG_AL AL 48 .   ? -14.856 -20.476 6.452   1.00 1.35  1   AL 1 
HETATM 3980 P P1  . LIG_AL AL 48 .   ? -14.546 -21.972 6.692   1.00 1.21  1   AL 1 
HETATM 3981 O O4  . LIG_AL AL 48 .   ? -13.669 -22.092 7.802   1.00 1.20  1   AL 1 
HETATM 3982 O O5  . LIG_AL AL 48 .   ? -15.754 -22.687 6.627   1.00 1.20  1   AL 1 
HETATM 3983 O O6  . LIG_AL AL 48 .   ? -13.748 -22.278 5.361   1.00 1.34  1   AL 1 
HETATM 3984 C C22 . LIG_AL AL 48 .   ? -12.502 -22.547 5.294   1.00 1.32  1   AL 1 
HETATM 3985 C C23 . LIG_AL AL 48 .   ? -11.933 -21.941 4.173   1.00 1.28  1   AL 1 
HETATM 3986 N N1  . LIG_AL AL 48 .   ? -10.744 -21.282 4.349   1.00 2.01  1   AL 1 
HETATM 3987 C C24 . LIG_AL AL 48 .   ? -10.472 -20.608 3.155   1.00 1.30  1   AL 1 
HETATM 3988 C C25 . LIG_AL AL 48 .   ? -9.714  -22.211 4.652   1.00 1.33  1   AL 1 
HETATM 3989 C C26 . LIG_AL AL 48 .   ? -10.816 -20.333 5.401   1.00 1.38  1   AL 1 
HETATM 3990 O O7  . LIG_AL AL 48 .   ? -13.450 -17.302 6.641   1.00 1.46  1   AL 1 
HETATM 3991 C C27 . LIG_AL AL 48 .   ? -12.779 -16.821 5.688   1.00 1.40  1   AL 1 
HETATM 3992 O O8  . LIG_AL AL 48 .   ? -12.901 -17.204 4.561   1.00 1.44  1   AL 1 
HETATM 3993 C C28 . LIG_AL AL 48 .   ? -11.973 -15.817 6.052   1.00 1.33  1   AL 1 
HETATM 3994 C C29 . LIG_AL AL 48 .   ? -12.361 -14.677 6.186   1.00 1.45  1   AL 1 
HETATM 3995 C C30 . LIG_AL AL 48 .   ? -13.061 -13.829 6.268   1.00 1.45  1   AL 1 
HETATM 3996 C C31 . LIG_AL AL 48 .   ? -13.725 -12.902 6.370   1.00 1.39  1   AL 1 
HETATM 3997 C C32 . LIG_AL AL 48 .   ? -14.485 -12.127 6.501   1.00 1.62  1   AL 1 
HETATM 3998 C C33 . LIG_AL AL 48 .   ? -15.242 -11.320 6.635   1.00 1.51  1   AL 1 
HETATM 3999 C C34 . LIG_AL AL 48 .   ? -16.029 -10.544 6.763   1.00 1.51  1   AL 1 
HETATM 4000 C C35 . LIG_AL AL 48 .   ? -16.769 -9.705  6.908   1.00 1.53  1   AL 1 
HETATM 4001 C C36 . LIG_AL AL 48 .   ? -17.489 -8.836  7.072   1.00 1.62  1   AL 1 
HETATM 4002 C C37 . LIG_AL AL 48 .   ? -18.192 -7.937  7.270   1.00 1.65  1   AL 1 
HETATM 4003 C C38 . LIG_AL AL 48 .   ? -18.892 -7.022  7.508   1.00 1.48  1   AL 1 
HETATM 4004 C C39 . LIG_AL AL 48 .   ? -19.597 -6.107  7.767   1.00 1.59  1   AL 1 
HETATM 4005 C C40 . LIG_AL AL 48 .   ? -20.283 -5.189  8.068   1.00 1.74  1   AL 1 
HETATM 4006 C C41 . LIG_AL AL 48 .   ? -20.971 -4.297  8.391   1.00 1.53  1   AL 1 
HETATM 4007 C C42 . LIG_AL AL 48 .   ? -21.606 -3.447  8.733   1.00 1.53  1   AL 1 
HETATM 4008 C C43 . LIG_AL AL 48 .   ? -22.134 -2.599  9.062   1.00 1.33  1   AL 1 
HETATM 4009 C C44 . LIG_AL AL 48 .   ? -22.584 -1.547  9.467   1.00 1.37  1   AL 1 
HETATM 4010 C C1  . LIG_AM AM 49 .   ? 0.235   12.194  26.713  1.00 1.35  1   AM 1 
HETATM 4011 C C2  . LIG_AM AM 49 .   ? 1.239   11.447  26.509  1.00 1.33  1   AM 1 
HETATM 4012 C C3  . LIG_AM AM 49 .   ? 1.733   10.737  25.684  1.00 1.34  1   AM 1 
HETATM 4013 C C4  . LIG_AM AM 49 .   ? 2.685   9.972   25.478  1.00 1.39  1   AM 1 
HETATM 4014 C C5  . LIG_AM AM 49 .   ? 3.052   9.167   24.647  1.00 1.37  1   AM 1 
HETATM 4015 C C6  . LIG_AM AM 49 .   ? 3.689   8.310   24.214  1.00 1.33  1   AM 1 
HETATM 4016 C C7  . LIG_AM AM 49 .   ? 3.987   7.523   23.456  1.00 1.34  1   AM 1 
HETATM 4017 C C8  . LIG_AM AM 49 .   ? 4.514   6.642   22.971  1.00 1.36  1   AM 1 
HETATM 4018 C C9  . LIG_AM AM 49 .   ? 4.860   5.819   22.359  1.00 1.34  1   AM 1 
HETATM 4019 C C10 . LIG_AM AM 49 .   ? 5.383   4.933   21.824  1.00 1.43  1   AM 1 
HETATM 4020 C C11 . LIG_AM AM 49 .   ? 5.948   3.973   21.706  1.00 1.42  1   AM 1 
HETATM 4021 C C12 . LIG_AM AM 49 .   ? 6.631   3.125   21.161  1.00 1.56  1   AM 1 
HETATM 4022 C C13 . LIG_AM AM 49 .   ? 7.276   2.133   21.413  1.00 1.36  1   AM 1 
HETATM 4023 C C14 . LIG_AM AM 49 .   ? 8.054   1.326   20.882  1.00 1.39  1   AM 1 
HETATM 4024 C C15 . LIG_AM AM 49 .   ? 8.739   0.364   21.228  1.00 1.35  1   AM 1 
HETATM 4025 C C16 . LIG_AM AM 49 .   ? 9.511   -0.430  20.566  1.00 1.35  1   AM 1 
HETATM 4026 C C17 . LIG_AM AM 49 .   ? 10.234  -1.334  21.061  1.00 1.22  1   AM 1 
HETATM 4027 C C18 . LIG_AM AM 49 .   ? 10.953  -2.243  20.341  1.00 1.24  1   AM 1 
HETATM 4028 O O1  . LIG_AM AM 49 .   ? 11.069  -2.200  19.167  1.00 1.53  1   AM 1 
HETATM 4029 O O2  . LIG_AM AM 49 .   ? 11.458  -3.112  21.036  1.00 1.45  1   AM 1 
HETATM 4030 C C19 . LIG_AM AM 49 .   ? 12.046  -4.164  20.457  1.00 1.18  1   AM 1 
HETATM 4031 C C20 . LIG_AM AM 49 .   ? 12.479  -5.110  21.490  1.00 1.25  1   AM 1 
HETATM 4032 C C21 . LIG_AM AM 49 .   ? 12.675  -6.472  20.922  1.00 1.24  1   AM 1 
HETATM 4033 O O3  . LIG_AM AM 49 .   ? 13.808  -6.534  20.196  1.00 1.30  1   AM 1 
HETATM 4034 P P1  . LIG_AM AM 49 .   ? 14.269  -7.916  19.701  1.00 1.20  1   AM 1 
HETATM 4035 O O4  . LIG_AM AM 49 .   ? 15.566  -7.758  19.095  1.00 1.13  1   AM 1 
HETATM 4036 O O5  . LIG_AM AM 49 .   ? 13.245  -8.557  18.973  1.00 1.13  1   AM 1 
HETATM 4037 O O6  . LIG_AM AM 49 .   ? 14.377  -8.620  21.080  1.00 1.24  1   AM 1 
HETATM 4038 C C22 . LIG_AM AM 49 .   ? 15.173  -9.529  21.386  1.00 1.20  1   AM 1 
HETATM 4039 C C23 . LIG_AM AM 49 .   ? 15.368  -9.692  22.765  1.00 1.16  1   AM 1 
HETATM 4040 N N1  . LIG_AM AM 49 .   ? 16.565  -10.270 23.138  1.00 1.49  1   AM 1 
HETATM 4041 C C24 . LIG_AM AM 49 .   ? 16.919  -9.747  24.400  1.00 1.15  1   AM 1 
HETATM 4042 C C25 . LIG_AM AM 49 .   ? 16.407  -11.668 23.217  1.00 1.19  1   AM 1 
HETATM 4043 C C26 . LIG_AM AM 49 .   ? 17.590  -9.942  22.188  1.00 1.17  1   AM 1 
HETATM 4044 O O7  . LIG_AM AM 49 .   ? 11.456  -5.256  22.424  1.00 1.31  1   AM 1 
HETATM 4045 C C27 . LIG_AM AM 49 .   ? 11.691  -4.864  23.618  1.00 1.27  1   AM 1 
HETATM 4046 O O8  . LIG_AM AM 49 .   ? 12.817  -4.557  23.939  1.00 1.30  1   AM 1 
HETATM 4047 C C28 . LIG_AM AM 49 .   ? 10.586  -4.761  24.471  1.00 1.24  1   AM 1 
HETATM 4048 C C29 . LIG_AM AM 49 .   ? 10.291  -3.502  24.811  1.00 1.35  1   AM 1 
HETATM 4049 C C30 . LIG_AM AM 49 .   ? 9.283   -2.987  25.321  1.00 1.36  1   AM 1 
HETATM 4050 C C31 . LIG_AM AM 49 .   ? 8.884   -1.814  25.506  1.00 1.37  1   AM 1 
HETATM 4051 C C32 . LIG_AM AM 49 .   ? 8.078   -1.058  25.851  1.00 1.47  1   AM 1 
HETATM 4052 C C33 . LIG_AM AM 49 .   ? 7.618   0.021   26.006  1.00 1.37  1   AM 1 
HETATM 4053 C C34 . LIG_AM AM 49 .   ? 6.982   0.925   26.287  1.00 1.31  1   AM 1 
HETATM 4054 C C35 . LIG_AM AM 49 .   ? 6.483   1.951   26.473  1.00 1.33  1   AM 1 
HETATM 4055 C C36 . LIG_AM AM 49 .   ? 5.948   2.910   26.774  1.00 1.33  1   AM 1 
HETATM 4056 C C37 . LIG_AM AM 49 .   ? 5.444   3.919   27.046  1.00 1.36  1   AM 1 
HETATM 4057 C C38 . LIG_AM AM 49 .   ? 4.958   4.838   27.533  1.00 1.26  1   AM 1 
HETATM 4058 C C39 . LIG_AM AM 49 .   ? 4.432   5.822   27.860  1.00 1.27  1   AM 1 
HETATM 4059 C C40 . LIG_AM AM 49 .   ? 3.956   6.696   28.446  1.00 1.38  1   AM 1 
HETATM 4060 C C41 . LIG_AM AM 49 .   ? 3.375   7.702   28.738  1.00 1.25  1   AM 1 
HETATM 4061 C C42 . LIG_AM AM 49 .   ? 2.932   8.539   29.481  1.00 1.31  1   AM 1 
HETATM 4062 C C43 . LIG_AM AM 49 .   ? 2.346   9.527   29.774  1.00 1.18  1   AM 1 
HETATM 4063 C C44 . LIG_AM AM 49 .   ? 1.939   10.354  30.619  1.00 1.20  1   AM 1 
HETATM 4064 C C1  . LIG_AN AN 50 .   ? 0.303   17.426  -0.646  1.00 4.68  1   AN 1 
HETATM 4065 C C2  . LIG_AN AN 50 .   ? 1.009   17.401  0.213   1.00 5.09  1   AN 1 
HETATM 4066 C C3  . LIG_AN AN 50 .   ? 1.493   16.885  1.151   1.00 4.14  1   AN 1 
HETATM 4067 C C4  . LIG_AN AN 50 .   ? 1.370   15.988  1.855   1.00 5.22  1   AN 1 
HETATM 4068 C C5  . LIG_AN AN 50 .   ? 1.210   15.042  2.451   1.00 4.32  1   AN 1 
HETATM 4069 C C6  . LIG_AN AN 50 .   ? 1.039   14.059  2.983   1.00 3.44  1   AN 1 
HETATM 4070 C C7  . LIG_AN AN 50 .   ? 0.861   13.091  3.466   1.00 3.27  1   AN 1 
HETATM 4071 C C8  . LIG_AN AN 50 .   ? 0.589   12.063  3.754   1.00 2.99  1   AN 1 
HETATM 4072 C C9  . LIG_AN AN 50 .   ? 0.271   11.031  3.876   1.00 3.26  1   AN 1 
HETATM 4073 C C10 . LIG_AN AN 50 .   ? -0.020  9.940   3.751   1.00 3.31  1   AN 1 
HETATM 4074 C C11 . LIG_AN AN 50 .   ? -0.104  8.881   3.491   1.00 3.26  1   AN 1 
HETATM 4075 C C12 . LIG_AN AN 50 .   ? -0.004  7.837   3.209   1.00 4.18  1   AN 1 
HETATM 4076 C C13 . LIG_AN AN 50 .   ? 0.572   6.932   2.970   1.00 2.62  1   AN 1 
HETATM 4077 C C14 . LIG_AN AN 50 .   ? 1.529   6.395   2.705   1.00 2.61  1   AN 1 
HETATM 4078 C C15 . LIG_AN AN 50 .   ? 2.329   5.671   2.624   1.00 2.78  1   AN 1 
HETATM 4079 C C16 . LIG_AN AN 50 .   ? 3.422   5.276   2.464   1.00 3.00  1   AN 1 
HETATM 4080 C C17 . LIG_AN AN 50 .   ? 4.204   4.513   2.533   1.00 2.40  1   AN 1 
HETATM 4081 C C18 . LIG_AN AN 50 .   ? 5.501   4.338   2.352   1.00 2.87  1   AN 1 
HETATM 4082 O O1  . LIG_AN AN 50 .   ? 6.060   3.442   2.891   1.00 4.28  1   AN 1 
HETATM 4083 O O2  . LIG_AN AN 50 .   ? 6.043   5.169   1.613   1.00 3.78  1   AN 1 
HETATM 4084 C C19 . LIG_AN AN 50 .   ? 7.361   5.141   1.513   1.00 3.19  1   AN 1 
HETATM 4085 C C20 . LIG_AN AN 50 .   ? 7.847   6.271   0.744   1.00 5.19  1   AN 1 
HETATM 4086 C C21 . LIG_AN AN 50 .   ? 9.286   6.493   1.009   1.00 4.73  1   AN 1 
HETATM 4087 O O3  . LIG_AN AN 50 .   ? 9.987   5.538   0.467   1.00 5.35  1   AN 1 
HETATM 4088 P P1  . LIG_AN AN 50 .   ? 11.476  5.769   0.197   1.00 5.57  1   AN 1 
HETATM 4089 O O4  . LIG_AN AN 50 .   ? 11.735  5.232   -1.096  1.00 5.72  1   AN 1 
HETATM 4090 O O5  . LIG_AN AN 50 .   ? 11.892  7.066   0.498   1.00 6.47  1   AN 1 
HETATM 4091 O O6  . LIG_AN AN 50 .   ? 12.063  4.836   1.272   1.00 5.12  1   AN 1 
HETATM 4092 C C22 . LIG_AN AN 50 .   ? 12.580  3.714   1.006   1.00 6.45  1   AN 1 
HETATM 4093 C C23 . LIG_AN AN 50 .   ? 13.177  3.121   2.099   1.00 5.51  1   AN 1 
HETATM 4094 N N1  . LIG_AN AN 50 .   ? 14.033  2.081   1.838   1.00 6.72  1   AN 1 
HETATM 4095 C C24 . LIG_AN AN 50 .   ? 14.476  1.558   3.068   1.00 5.71  1   AN 1 
HETATM 4096 C C25 . LIG_AN AN 50 .   ? 13.385  1.062   1.128   1.00 6.42  1   AN 1 
HETATM 4097 C C26 . LIG_AN AN 50 .   ? 15.160  2.558   1.124   1.00 6.72  1   AN 1 
HETATM 4098 O O7  . LIG_AN AN 50 .   ? 7.205   7.414   1.155   1.00 4.07  1   AN 1 
HETATM 4099 C C27 . LIG_AN AN 50 .   ? 6.579   8.040   0.251   1.00 5.23  1   AN 1 
HETATM 4100 O O8  . LIG_AN AN 50 .   ? 6.728   7.780   -0.918  1.00 3.64  1   AN 1 
HETATM 4101 C C28 . LIG_AN AN 50 .   ? 5.757   8.976   0.675   1.00 4.31  1   AN 1 
HETATM 4102 C C29 . LIG_AN AN 50 .   ? 5.031   9.694   0.100   1.00 4.28  1   AN 1 
HETATM 4103 C C30 . LIG_AN AN 50 .   ? 4.315   10.528  -0.101  1.00 4.32  1   AN 1 
HETATM 4104 C C31 . LIG_AN AN 50 .   ? 3.799   11.394  -0.630  1.00 4.17  1   AN 1 
HETATM 4105 C C32 . LIG_AN AN 50 .   ? 3.477   12.330  -1.130  1.00 4.69  1   AN 1 
HETATM 4106 C C33 . LIG_AN AN 50 .   ? 3.388   13.245  -1.794  1.00 3.82  1   AN 1 
HETATM 4107 C C34 . LIG_AN AN 50 .   ? 3.452   14.154  -2.448  1.00 3.78  1   AN 1 
HETATM 4108 C C35 . LIG_AN AN 50 .   ? 3.699   15.007  -3.124  1.00 3.56  1   AN 1 
HETATM 4109 C C36 . LIG_AN AN 50 .   ? 3.878   15.875  -3.786  1.00 4.50  1   AN 1 
HETATM 4110 C C37 . LIG_AN AN 50 .   ? 3.933   16.772  -4.423  1.00 4.66  1   AN 1 
HETATM 4111 C C38 . LIG_AN AN 50 .   ? 3.445   17.623  -4.935  1.00 3.36  1   AN 1 
HETATM 4112 C C39 . LIG_AN AN 50 .   ? 2.463   18.113  -5.063  1.00 4.06  1   AN 1 
HETATM 4113 C C40 . LIG_AN AN 50 .   ? 1.372   18.219  -4.792  1.00 5.04  1   AN 1 
HETATM 4114 C C41 . LIG_AN AN 50 .   ? 0.359   18.148  -4.267  1.00 3.96  1   AN 1 
HETATM 4115 C C42 . LIG_AN AN 50 .   ? -0.496  18.006  -3.622  1.00 4.15  1   AN 1 
HETATM 4116 C C43 . LIG_AN AN 50 .   ? -1.390  17.885  -3.024  1.00 2.97  1   AN 1 
HETATM 4117 C C44 . LIG_AN AN 50 .   ? -2.336  17.729  -2.377  1.00 2.85  1   AN 1 
HETATM 4118 C C1  . LIG_AO AO 51 .   ? -4.700  3.073   30.318  1.00 2.20  1   AO 1 
HETATM 4119 C C2  . LIG_AO AO 51 .   ? -4.659  2.567   31.273  1.00 2.17  1   AO 1 
HETATM 4120 C C3  . LIG_AO AO 51 .   ? -4.005  1.694   31.655  1.00 2.12  1   AO 1 
HETATM 4121 C C4  . LIG_AO AO 51 .   ? -3.230  0.887   31.545  1.00 2.38  1   AO 1 
HETATM 4122 C C5  . LIG_AO AO 51 .   ? -2.458  0.044   31.428  1.00 1.98  1   AO 1 
HETATM 4123 C C6  . LIG_AO AO 51 .   ? -1.722  -0.777  31.150  1.00 1.81  1   AO 1 
HETATM 4124 C C7  . LIG_AO AO 51 .   ? -1.005  -1.590  30.826  1.00 1.77  1   AO 1 
HETATM 4125 C C8  . LIG_AO AO 51 .   ? -0.310  -2.392  30.453  1.00 1.68  1   AO 1 
HETATM 4126 C C9  . LIG_AO AO 51 .   ? 0.369   -3.178  30.044  1.00 1.76  1   AO 1 
HETATM 4127 C C10 . LIG_AO AO 51 .   ? 1.093   -3.952  29.576  1.00 1.80  1   AO 1 
HETATM 4128 C C11 . LIG_AO AO 51 .   ? 1.819   -4.653  29.082  1.00 1.68  1   AO 1 
HETATM 4129 C C12 . LIG_AO AO 51 .   ? 2.575   -5.332  28.555  1.00 1.73  1   AO 1 
HETATM 4130 C C13 . LIG_AO AO 51 .   ? 3.347   -5.933  27.993  1.00 1.37  1   AO 1 
HETATM 4131 C C14 . LIG_AO AO 51 .   ? 4.148   -6.528  27.405  1.00 1.37  1   AO 1 
HETATM 4132 C C15 . LIG_AO AO 51 .   ? 4.915   -7.028  26.779  1.00 1.34  1   AO 1 
HETATM 4133 C C16 . LIG_AO AO 51 .   ? 5.763   -7.603  26.193  1.00 1.33  1   AO 1 
HETATM 4134 C C17 . LIG_AO AO 51 .   ? 6.449   -7.933  25.459  1.00 1.25  1   AO 1 
HETATM 4135 C C18 . LIG_AO AO 51 .   ? 7.431   -8.645  24.995  1.00 1.29  1   AO 1 
HETATM 4136 O O1  . LIG_AO AO 51 .   ? 8.010   -9.437  25.651  1.00 1.72  1   AO 1 
HETATM 4137 O O2  . LIG_AO AO 51 .   ? 7.664   -8.391  23.811  1.00 1.68  1   AO 1 
HETATM 4138 C C19 . LIG_AO AO 51 .   ? 8.651   -9.051  23.235  1.00 1.23  1   AO 1 
HETATM 4139 C C20 . LIG_AO AO 51 .   ? 8.719   -8.803  21.814  1.00 1.29  1   AO 1 
HETATM 4140 C C21 . LIG_AO AO 51 .   ? 9.889   -9.521  21.213  1.00 1.30  1   AO 1 
HETATM 4141 O O3  . LIG_AO AO 51 .   ? 9.676   -10.836 21.382  1.00 1.40  1   AO 1 
HETATM 4142 P P1  . LIG_AO AO 51 .   ? 10.703  -11.935 21.022  1.00 1.22  1   AO 1 
HETATM 4143 O O4  . LIG_AO AO 51 .   ? 10.272  -12.552 19.793  1.00 1.19  1   AO 1 
HETATM 4144 O O5  . LIG_AO AO 51 .   ? 12.007  -11.517 21.166  1.00 1.18  1   AO 1 
HETATM 4145 O O6  . LIG_AO AO 51 .   ? 10.302  -12.957 22.118  1.00 1.35  1   AO 1 
HETATM 4146 C C22 . LIG_AO AO 51 .   ? 10.723  -13.020 23.309  1.00 1.35  1   AO 1 
HETATM 4147 C C23 . LIG_AO AO 51 .   ? 9.734   -12.772 24.274  1.00 1.35  1   AO 1 
HETATM 4148 N N1  . LIG_AO AO 51 .   ? 9.918   -13.321 25.529  1.00 2.03  1   AO 1 
HETATM 4149 C C24 . LIG_AO AO 51 .   ? 11.237  -13.049 25.992  1.00 1.39  1   AO 1 
HETATM 4150 C C25 . LIG_AO AO 51 .   ? 8.968   -12.750 26.383  1.00 1.50  1   AO 1 
HETATM 4151 C C26 . LIG_AO AO 51 .   ? 9.728   -14.727 25.472  1.00 1.42  1   AO 1 
HETATM 4152 O O7  . LIG_AO AO 51 .   ? 8.890   -7.452  21.599  1.00 1.49  1   AO 1 
HETATM 4153 C C27 . LIG_AO AO 51 .   ? 7.927   -6.852  21.055  1.00 1.43  1   AO 1 
HETATM 4154 O O8  . LIG_AO AO 51 .   ? 7.020   -7.458  20.548  1.00 1.51  1   AO 1 
HETATM 4155 C C28 . LIG_AO AO 51 .   ? 7.944   -5.533  21.125  1.00 1.33  1   AO 1 
HETATM 4156 C C29 . LIG_AO AO 51 .   ? 7.158   -4.842  21.711  1.00 1.44  1   AO 1 
HETATM 4157 C C30 . LIG_AO AO 51 .   ? 6.426   -4.308  22.348  1.00 1.46  1   AO 1 
HETATM 4158 C C31 . LIG_AO AO 51 .   ? 5.664   -3.724  22.974  1.00 1.42  1   AO 1 
HETATM 4159 C C32 . LIG_AO AO 51 .   ? 4.925   -3.133  23.568  1.00 1.60  1   AO 1 
HETATM 4160 C C33 . LIG_AO AO 51 .   ? 4.149   -2.501  24.125  1.00 1.51  1   AO 1 
HETATM 4161 C C34 . LIG_AO AO 51 .   ? 3.359   -1.855  24.642  1.00 1.50  1   AO 1 
HETATM 4162 C C35 . LIG_AO AO 51 .   ? 2.538   -1.194  25.120  1.00 1.53  1   AO 1 
HETATM 4163 C C36 . LIG_AO AO 51 .   ? 1.695   -0.527  25.552  1.00 1.62  1   AO 1 
HETATM 4164 C C37 . LIG_AO AO 51 .   ? 0.831   0.155   25.971  1.00 1.63  1   AO 1 
HETATM 4165 C C38 . LIG_AO AO 51 .   ? -0.051  0.826   26.361  1.00 1.48  1   AO 1 
HETATM 4166 C C39 . LIG_AO AO 51 .   ? -0.957  1.498   26.752  1.00 1.69  1   AO 1 
HETATM 4167 C C40 . LIG_AO AO 51 .   ? -1.848  2.152   27.144  1.00 1.82  1   AO 1 
HETATM 4168 C C41 . LIG_AO AO 51 .   ? -2.746  2.802   27.526  1.00 1.53  1   AO 1 
HETATM 4169 C C42 . LIG_AO AO 51 .   ? -3.608  3.414   27.874  1.00 1.59  1   AO 1 
HETATM 4170 C C43 . LIG_AO AO 51 .   ? -4.471  4.061   28.097  1.00 1.34  1   AO 1 
HETATM 4171 C C44 . LIG_AO AO 51 .   ? -5.397  4.815   28.249  1.00 1.40  1   AO 1 
HETATM 4172 C C1  . LIG_AP AP 52 .   ? -11.094 11.917  -1.780  1.00 2.69  1   AP 1 
HETATM 4173 C C2  . LIG_AP AP 52 .   ? -10.474 12.104  -2.699  1.00 2.61  1   AP 1 
HETATM 4174 C C3  . LIG_AP AP 52 .   ? -9.581  11.581  -3.210  1.00 2.53  1   AP 1 
HETATM 4175 C C4  . LIG_AP AP 52 .   ? -8.753  10.805  -3.247  1.00 3.35  1   AP 1 
HETATM 4176 C C5  . LIG_AP AP 52 .   ? -7.907  10.049  -3.334  1.00 3.01  1   AP 1 
HETATM 4177 C C6  . LIG_AP AP 52 .   ? -7.067  9.274   -3.322  1.00 2.66  1   AP 1 
HETATM 4178 C C7  . LIG_AP AP 52 .   ? -6.239  8.514   -3.309  1.00 2.85  1   AP 1 
HETATM 4179 C C8  . LIG_AP AP 52 .   ? -5.422  7.737   -3.275  1.00 2.87  1   AP 1 
HETATM 4180 C C9  . LIG_AP AP 52 .   ? -4.635  6.943   -3.244  1.00 3.22  1   AP 1 
HETATM 4181 C C10 . LIG_AP AP 52 .   ? -3.856  6.082   -3.187  1.00 3.61  1   AP 1 
HETATM 4182 C C11 . LIG_AP AP 52 .   ? -3.159  5.202   -3.131  1.00 3.52  1   AP 1 
HETATM 4183 C C12 . LIG_AP AP 52 .   ? -2.471  4.280   -3.071  1.00 4.61  1   AP 1 
HETATM 4184 C C13 . LIG_AP AP 52 .   ? -1.828  3.358   -2.958  1.00 2.83  1   AP 1 
HETATM 4185 C C14 . LIG_AP AP 52 .   ? -1.224  2.400   -2.958  1.00 2.90  1   AP 1 
HETATM 4186 C C15 . LIG_AP AP 52 .   ? -0.600  1.484   -2.792  1.00 2.81  1   AP 1 
HETATM 4187 C C16 . LIG_AP AP 52 .   ? 0.010   0.510   -2.887  1.00 2.99  1   AP 1 
HETATM 4188 C C17 . LIG_AP AP 52 .   ? 0.729   -0.361  -2.752  1.00 2.19  1   AP 1 
HETATM 4189 C C18 . LIG_AP AP 52 .   ? 1.208   -1.361  -3.467  1.00 2.40  1   AP 1 
HETATM 4190 O O1  . LIG_AP AP 52 .   ? 2.343   -1.690  -3.415  1.00 3.53  1   AP 1 
HETATM 4191 O O2  . LIG_AP AP 52 .   ? 0.351   -1.871  -4.212  1.00 2.99  1   AP 1 
HETATM 4192 C C19 . LIG_AP AP 52 .   ? 0.752   -2.610  -5.225  1.00 2.25  1   AP 1 
HETATM 4193 C C20 . LIG_AP AP 52 .   ? -0.360  -3.212  -5.947  1.00 2.81  1   AP 1 
HETATM 4194 C C21 . LIG_AP AP 52 .   ? 0.146   -3.664  -7.261  1.00 2.88  1   AP 1 
HETATM 4195 O O3  . LIG_AP AP 52 .   ? 0.544   -4.930  -7.179  1.00 3.15  1   AP 1 
HETATM 4196 P P1  . LIG_AP AP 52 .   ? 1.395   -5.526  -8.314  1.00 3.32  1   AP 1 
HETATM 4197 O O4  . LIG_AP AP 52 .   ? 1.107   -6.942  -8.371  1.00 2.74  1   AP 1 
HETATM 4198 O O5  . LIG_AP AP 52 .   ? 1.327   -4.762  -9.483  1.00 3.89  1   AP 1 
HETATM 4199 O O6  . LIG_AP AP 52 .   ? 2.786   -5.349  -7.715  1.00 3.19  1   AP 1 
HETATM 4200 C C22 . LIG_AP AP 52 .   ? 3.283   -6.081  -6.793  1.00 4.03  1   AP 1 
HETATM 4201 C C23 . LIG_AP AP 52 .   ? 4.022   -5.314  -5.904  1.00 3.89  1   AP 1 
HETATM 4202 N N1  . LIG_AP AP 52 .   ? 4.595   -5.980  -4.834  1.00 5.45  1   AP 1 
HETATM 4203 C C24 . LIG_AP AP 52 .   ? 5.417   -7.038  -5.309  1.00 3.93  1   AP 1 
HETATM 4204 C C25 . LIG_AP AP 52 .   ? 3.588   -6.482  -3.999  1.00 3.65  1   AP 1 
HETATM 4205 C C26 . LIG_AP AP 52 .   ? 5.372   -5.044  -4.151  1.00 4.13  1   AP 1 
HETATM 4206 O O7  . LIG_AP AP 52 .   ? -1.371  -2.307  -6.182  1.00 2.65  1   AP 1 
HETATM 4207 C C27 . LIG_AP AP 52 .   ? -2.371  -2.378  -5.390  1.00 2.96  1   AP 1 
HETATM 4208 O O8  . LIG_AP AP 52 .   ? -2.482  -3.289  -4.595  1.00 2.28  1   AP 1 
HETATM 4209 C C28 . LIG_AP AP 52 .   ? -3.234  -1.364  -5.453  1.00 2.71  1   AP 1 
HETATM 4210 C C29 . LIG_AP AP 52 .   ? -3.887  -0.810  -4.615  1.00 2.63  1   AP 1 
HETATM 4211 C C30 . LIG_AP AP 52 .   ? -4.573  -0.001  -4.171  1.00 2.52  1   AP 1 
HETATM 4212 C C31 . LIG_AP AP 52 .   ? -5.199  0.722   -3.541  1.00 2.20  1   AP 1 
HETATM 4213 C C32 . LIG_AP AP 52 .   ? -5.815  1.520   -3.030  1.00 2.43  1   AP 1 
HETATM 4214 C C33 . LIG_AP AP 52 .   ? -6.428  2.323   -2.481  1.00 2.06  1   AP 1 
HETATM 4215 C C34 . LIG_AP AP 52 .   ? -7.039  3.183   -2.007  1.00 1.95  1   AP 1 
HETATM 4216 C C35 . LIG_AP AP 52 .   ? -7.651  4.052   -1.549  1.00 1.87  1   AP 1 
HETATM 4217 C C36 . LIG_AP AP 52 .   ? -8.274  4.948   -1.154  1.00 2.06  1   AP 1 
HETATM 4218 C C37 . LIG_AP AP 52 .   ? -8.915  5.860   -0.800  1.00 2.09  1   AP 1 
HETATM 4219 C C38 . LIG_AP AP 52 .   ? -9.565  6.785   -0.514  1.00 1.70  1   AP 1 
HETATM 4220 C C39 . LIG_AP AP 52 .   ? -10.229 7.728   -0.302  1.00 1.76  1   AP 1 
HETATM 4221 C C40 . LIG_AP AP 52 .   ? -10.881 8.660   -0.186  1.00 1.97  1   AP 1 
HETATM 4222 C C41 . LIG_AP AP 52 .   ? -11.543 9.591   -0.126  1.00 1.66  1   AP 1 
HETATM 4223 C C42 . LIG_AP AP 52 .   ? -12.177 10.457  -0.094  1.00 1.66  1   AP 1 
HETATM 4224 C C43 . LIG_AP AP 52 .   ? -12.856 11.311  -0.015  1.00 1.40  1   AP 1 
HETATM 4225 C C44 . LIG_AP AP 52 .   ? -13.604 12.171  0.084   1.00 1.43  1   AP 1 
#
