# By using this file you agree to the legally binding terms of use found at
# https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md.
# To request access to the AlphaFold 3 model parameters, follow the process set
# out at https://github.com/google-deepmind/alphafold3. You may only use these if
# received directly from Google. Use is subject to terms of use available at
# https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md.
data_atrop9short-far-30dopc-10dope-10dopa
#
_entry.id atrop9short-far-30dopc-10dope-10dopa
#
loop_
_atom_type.symbol
C 
N 
O 
P 
S 
#
loop_
_audit_author.name
_audit_author.pdbx_ordinal
"Google DeepMind" 1 
"Isomorphic Labs" 2 
#
_audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic
_audit_conform.dict_name     mmcif_ma.dic
_audit_conform.dict_version  1.4.5
#
loop_
_chem_comp.formula
_chem_comp.formula_weight
_chem_comp.id
_chem_comp.mon_nstd_flag
_chem_comp.name
_chem_comp.pdbx_smiles
_chem_comp.pdbx_synonyms
_chem_comp.type
"C3 H7 N O2"    89.093  ALA    y ALANINE         C[C@@H](C(=O)O)N                                                                          ? "L-PEPTIDE LINKING" 
"C6 H15 N4 O2"  175.209 ARG    y ARGININE        C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N                                                          ? "L-PEPTIDE LINKING" 
"C4 H8 N2 O3"   132.118 ASN    y ASPARAGINE      C([C@@H](C(=O)O)N)C(=O)N                                                                  ? "L-PEPTIDE LINKING" 
"C4 H7 N O4"    133.103 ASP    y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O                                                                  ? "L-PEPTIDE LINKING" 
"C3 H7 N O2 S"  121.158 CYS    y CYSTEINE        C([C@@H](C(=O)O)N)S                                                                       ? "L-PEPTIDE LINKING" 
"C15 H26"       206.367 FAR    . FARNESYL        C\C=C(/C)\CC\C=C(/C)\CCC=C(C)C                                                            ? NON-POLYMER         
"C5 H10 N2 O3"  146.144 GLN    y GLUTAMINE       C(CC(=O)N)[C@@H](C(=O)O)N                                                                 ? "L-PEPTIDE LINKING" 
"C5 H9 N O4"    147.129 GLU    y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N                                                                 ? "L-PEPTIDE LINKING" 
"C2 H5 N O2"    75.067  GLY    y GLYCINE         C(C(=O)O)N                                                                                ? "PEPTIDE LINKING"   
"C6 H10 N3 O2"  156.162 HIS    y HISTIDINE       c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N                                                          ? "L-PEPTIDE LINKING" 
"C6 H13 N O2"   131.173 ILE    y ISOLEUCINE      CC[C@H](C)[C@@H](C(=O)O)N                                                                 ? "L-PEPTIDE LINKING" 
"C6 H13 N O2"   131.173 LEU    y LEUCINE         CC(C)C[C@@H](C(=O)O)N                                                                     ? "L-PEPTIDE LINKING" 
?               ?       LIG_AA ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_AB ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_AC ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_AD ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_AE ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_AF ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_BA ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\\CCCCCCCC                  ? non-polymer         
?               ?       LIG_BB ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\\CCCCCCCC                  ? non-polymer         
?               ?       LIG_BC ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\\CCCCCCCC                  ? non-polymer         
?               ?       LIG_BD ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\\CCCCCCCC                  ? non-polymer         
?               ?       LIG_BE ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\\CCCCCCCC                  ? non-polymer         
?               ?       LIG_BF ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\\CCCCCCCC                  ? non-polymer         
?               ?       LIG_BG ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\\CCCCCCCC                  ? non-polymer         
?               ?       LIG_BH ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\\CCCCCCCC                  ? non-polymer         
?               ?       LIG_BI ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\\CCCCCCCC                  ? non-polymer         
?               ?       LIG_BJ ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)OCCN)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_CA ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC/C=C\\CCCCCCCC                     ? non-polymer         
?               ?       LIG_CB ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC/C=C\\CCCCCCCC                     ? non-polymer         
?               ?       LIG_CC ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC/C=C\\CCCCCCCC                     ? non-polymer         
?               ?       LIG_CD ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC/C=C\\CCCCCCCC                     ? non-polymer         
?               ?       LIG_CE ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC/C=C\\CCCCCCCC                     ? non-polymer         
?               ?       LIG_CF ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC/C=C\\CCCCCCCC                     ? non-polymer         
?               ?       LIG_CG ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC/C=C\\CCCCCCCC                     ? non-polymer         
?               ?       LIG_CH ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC/C=C\\CCCCCCCC                     ? non-polymer         
?               ?       LIG_CI ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC/C=C\\CCCCCCCC                     ? non-polymer         
?               ?       LIG_CJ ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OCC(COP(=O)(O)O)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 14:09:44)"
_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 29.82
_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 51.34 1 1   
A  SER    2   2 58.02 1 2   
A  ALA    3   2 62.30 1 3   
A  SER    4   2 70.28 1 4   
A  LYS    5   2 72.00 1 5   
A  PHE    6   2 79.50 1 6   
A  ILE    7   2 84.24 1 7   
A  LYS    8   2 86.61 1 8   
A  CYS    9   2 88.26 1 9   
A  VAL    10  2 86.47 1 10  
A  THR    11  2 84.30 1 11  
A  VAL    12  2 85.45 1 12  
A  GLY    13  2 86.83 1 13  
A  ASP    14  2 84.34 1 14  
A  GLY    15  2 83.95 1 15  
A  ALA    16  2 82.50 1 16  
A  VAL    17  2 83.74 1 17  
A  GLY    18  2 85.72 1 18  
A  LYS    19  2 82.11 1 19  
A  THR    20  2 81.23 1 20  
A  CYS    21  2 84.41 1 21  
A  MET    22  2 84.69 1 22  
A  LEU    23  2 83.95 1 23  
A  ILE    24  2 81.71 1 24  
A  CYS    25  2 84.23 1 25  
A  TYR    26  2 83.27 1 26  
A  THR    27  2 79.78 1 27  
A  SER    28  2 78.98 1 28  
A  ASN    29  2 74.25 1 29  
A  LYS    30  2 68.98 1 30  
A  PHE    31  2 69.57 1 31  
A  PRO    32  2 76.17 1 32  
A  THR    33  2 72.66 1 33  
A  ASP    34  2 70.22 1 34  
A  TYR    35  2 63.04 1 35  
A  ILE    36  2 70.75 1 36  
A  PRO    37  2 73.98 1 37  
A  THR    38  2 67.56 1 38  
A  VAL    39  2 67.78 1 39  
A  PHE    40  2 66.92 1 40  
A  ASP    41  2 71.04 1 41  
A  ASN    42  2 72.72 1 42  
A  PHE    43  2 70.85 1 43  
A  SER    44  2 76.92 1 44  
A  ALA    45  2 81.56 1 45  
A  ASN    46  2 80.29 1 46  
A  VAL    47  2 81.19 1 47  
A  ALA    48  2 84.01 1 48  
A  VAL    49  2 78.61 1 49  
A  ASP    50  2 75.25 1 50  
A  GLY    51  2 81.88 1 51  
A  GLN    52  2 75.44 1 52  
A  ILE    53  2 78.55 1 53  
A  VAL    54  2 82.58 1 54  
A  ASN    55  2 82.19 1 55  
A  LEU    56  2 85.47 1 56  
A  GLY    57  2 89.04 1 57  
A  LEU    58  2 84.62 1 58  
A  TRP    59  2 79.17 1 59  
A  ASP    60  2 80.04 1 60  
A  THR    61  2 78.08 1 61  
A  ALA    62  2 76.30 1 62  
A  GLY    63  2 76.04 1 63  
A  GLN    64  2 68.64 1 64  
A  GLU    65  2 68.12 1 65  
A  ASP    66  2 71.92 1 66  
A  TYR    67  2 69.74 1 67  
A  SER    68  2 80.58 1 68  
A  ARG    69  2 71.84 1 69  
A  LEU    70  2 78.84 1 70  
A  ARG    71  2 77.36 1 71  
A  PRO    72  2 85.28 1 72  
A  LEU    73  2 81.61 1 73  
A  SER    74  2 83.09 1 74  
A  TYR    75  2 82.82 1 75  
A  ARG    76  2 73.83 1 76  
A  GLY    77  2 87.79 1 77  
A  ALA    78  2 87.92 1 78  
A  ASP    79  2 86.18 1 79  
A  ILE    80  2 87.05 1 80  
A  PHE    81  2 87.85 1 81  
A  VAL    82  2 88.43 1 82  
A  LEU    83  2 88.18 1 83  
A  ALA    84  2 90.68 1 84  
A  PHE    85  2 88.70 1 85  
A  SER    86  2 88.99 1 86  
A  LEU    87  2 88.78 1 87  
A  ILE    88  2 82.97 1 88  
A  SER    89  2 87.30 1 89  
A  LYS    90  2 81.04 1 90  
A  ALA    91  2 89.84 1 91  
A  SER    92  2 88.21 1 92  
A  TYR    93  2 88.79 1 93  
A  GLU    94  2 85.95 1 94  
A  ASN    95  2 86.55 1 95  
A  VAL    96  2 87.99 1 96  
A  LEU    97  2 86.11 1 97  
A  LYS    98  2 82.15 1 98  
A  LYS    99  2 83.01 1 99  
A  TRP    100 2 86.71 1 100 
A  MET    101 2 87.88 1 101 
A  PRO    102 2 89.95 1 102 
A  GLU    103 2 85.04 1 103 
A  LEU    104 2 86.71 1 104 
A  ARG    105 2 76.58 1 105 
A  ARG    106 2 77.83 1 106 
A  PHE    107 2 81.98 1 107 
A  ALA    108 2 87.57 1 108 
A  PRO    109 2 85.27 1 109 
A  ASN    110 2 81.19 1 110 
A  VAL    111 2 87.05 1 111 
A  PRO    112 2 89.36 1 112 
A  ILE    113 2 87.30 1 113 
A  VAL    114 2 88.95 1 114 
A  LEU    115 2 89.39 1 115 
A  VAL    116 2 88.46 1 116 
A  GLY    117 2 91.47 1 117 
A  THR    118 2 86.44 1 118 
A  LYS    119 2 83.34 1 119 
A  LEU    120 2 86.91 1 120 
A  ASP    121 2 82.66 1 121 
A  LEU    122 2 82.63 1 122 
A  ARG    123 2 81.85 1 123 
A  ASP    124 2 77.63 1 124 
A  ASP    125 2 76.09 1 125 
A  LYS    126 2 67.67 1 126 
A  GLY    127 2 77.61 1 127 
A  TYR    128 2 68.44 1 128 
A  LEU    129 2 71.86 1 129 
A  ALA    130 2 75.59 1 130 
A  ASP    131 2 71.25 1 131 
A  HIS    132 2 68.44 1 132 
A  THR    133 2 72.16 1 133 
A  ASN    134 2 74.60 1 134 
A  VAL    135 2 82.84 1 135 
A  ILE    136 2 86.00 1 136 
A  THR    137 2 85.22 1 137 
A  SER    138 2 88.31 1 138 
A  THR    139 2 87.80 1 139 
A  GLN    140 2 86.68 1 140 
A  GLY    141 2 91.44 1 141 
A  GLU    142 2 85.88 1 142 
A  GLU    143 2 83.08 1 143 
A  LEU    144 2 89.03 1 144 
A  ARG    145 2 86.12 1 145 
A  LYS    146 2 84.48 1 146 
A  GLN    147 2 84.69 1 147 
A  ILE    148 2 86.24 1 148 
A  GLY    149 2 89.27 1 149 
A  ALA    150 2 90.38 1 150 
A  ALA    151 2 90.44 1 151 
A  ALA    152 2 91.55 1 152 
A  TYR    153 2 88.95 1 153 
A  ILE    154 2 86.76 1 154 
A  GLU    155 2 89.17 1 155 
A  CYS    156 2 89.46 1 156 
A  SER    157 2 88.03 1 157 
A  SER    158 2 85.49 1 158 
A  LYS    159 2 79.66 1 159 
A  THR    160 2 82.91 1 160 
A  GLN    161 2 79.78 1 161 
A  GLN    162 2 81.10 1 162 
A  ASN    163 2 85.71 1 163 
A  VAL    164 2 86.33 1 164 
A  LYS    165 2 79.92 1 165 
A  ALA    166 2 90.60 1 166 
A  VAL    167 2 87.57 1 167 
A  PHE    168 2 85.38 1 168 
A  ASP    169 2 85.34 1 169 
A  THR    170 2 86.72 1 170 
A  ALA    171 2 90.03 1 171 
A  ILE    172 2 85.55 1 172 
A  LYS    173 2 82.13 1 173 
A  VAL    174 2 86.36 1 174 
A  VAL    175 2 84.52 1 175 
A  LEU    176 2 81.11 1 176 
A  GLN    177 2 70.02 1 177 
A  PRO    178 2 64.03 1 178 
A  PRO    179 2 57.35 1 179 
A  ARG    180 2 50.91 1 180 
A  ARG    181 2 48.24 1 181 
A  LYS    182 2 48.22 1 182 
A  GLU    183 2 47.69 1 183 
A  VAL    184 2 51.28 1 184 
A  PRO    185 2 52.26 1 185 
A  ARG    186 2 48.23 1 186 
A  ARG    187 2 47.24 1 187 
A  ARG    188 2 45.53 1 188 
A  LYS    189 2 48.79 1 189 
A  ASN    190 2 53.70 1 190 
A  HIS    191 2 51.83 1 191 
A  ARG    192 2 46.54 1 192 
A  ARG    193 2 46.58 1 193 
A  SER    194 2 56.79 1 194 
A  GLY    195 2 63.01 1 195 
A  CYS    196 2 66.99 1 196 
B  FAR    .   2 7.00  1 197 
C  LIG_C  .   2 1.68  1 198 
D  LIG_D  .   2 1.67  1 199 
E  LIG_E  .   2 1.57  1 200 
F  LIG_F  .   2 1.59  1 201 
G  LIG_G  .   2 1.94  1 202 
H  LIG_H  .   2 1.84  1 203 
I  LIG_I  .   2 1.88  1 204 
J  LIG_J  .   2 1.62  1 205 
K  LIG_K  .   2 1.60  1 206 
L  LIG_L  .   2 2.06  1 207 
M  LIG_M  .   2 2.01  1 208 
N  LIG_N  .   2 1.61  1 209 
O  LIG_O  .   2 1.97  1 210 
P  LIG_P  .   2 1.88  1 211 
Q  LIG_Q  .   2 1.61  1 212 
R  LIG_R  .   2 1.59  1 213 
S  LIG_S  .   2 2.03  1 214 
T  LIG_T  .   2 1.56  1 215 
U  LIG_U  .   2 1.59  1 216 
V  LIG_V  .   2 1.53  1 217 
W  LIG_W  .   2 1.79  1 218 
X  LIG_X  .   2 1.56  1 219 
Y  LIG_Y  .   2 2.04  1 220 
Z  LIG_Z  .   2 1.75  1 221 
AA LIG_AA .   2 1.74  1 222 
BA LIG_BA .   2 1.98  1 223 
CA LIG_CA .   2 1.33  1 224 
AB LIG_AB .   2 1.80  1 225 
BB LIG_BB .   2 1.56  1 226 
CB LIG_CB .   2 1.30  1 227 
AC LIG_AC .   2 1.69  1 228 
BC LIG_BC .   2 1.31  1 229 
CC LIG_CC .   2 1.28  1 230 
AD LIG_AD .   2 1.74  1 231 
BD LIG_BD .   2 1.25  1 232 
CD LIG_CD .   2 1.35  1 233 
AE LIG_AE .   2 1.79  1 234 
BE LIG_BE .   2 1.97  1 235 
CE LIG_CE .   2 1.30  1 236 
AF LIG_AF .   2 2.04  1 237 
BF LIG_BF .   2 1.41  1 238 
CF LIG_CF .   2 1.41  1 239 
BG LIG_BG .   2 1.25  1 240 
CG LIG_CG .   2 1.40  1 241 
BH LIG_BH .   2 1.28  1 242 
CH LIG_CH .   2 1.30  1 243 
BI LIG_BI .   2 1.28  1 244 
CI LIG_CI .   2 1.32  1 245 
BJ LIG_BJ .   2 1.26  1 246 
CJ LIG_CJ .   2 1.30  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 
CA . 29 
AB . 30 
BB . 31 
CB . 32 
AC . 33 
BC . 34 
CC . 35 
AD . 36 
BD . 37 
CD . 38 
AE . 39 
BE . 40 
CE . 41 
AF . 42 
BF . 43 
CF . 44 
BG . 45 
CG . 46 
BH . 47 
CH . 48 
BI . 49 
CI . 50 
BJ . 51 
CJ . 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 
CA 1 29 LIG_CA . 1 CA 
AB 1 30 LIG_AB . 1 AB 
BB 1 31 LIG_BB . 1 BB 
CB 1 32 LIG_CB . 1 CB 
AC 1 33 LIG_AC . 1 AC 
BC 1 34 LIG_BC . 1 BC 
CC 1 35 LIG_CC . 1 CC 
AD 1 36 LIG_AD . 1 AD 
BD 1 37 LIG_BD . 1 BD 
CD 1 38 LIG_CD . 1 CD 
AE 1 39 LIG_AE . 1 AE 
BE 1 40 LIG_BE . 1 BE 
CE 1 41 LIG_CE . 1 CE 
AF 1 42 LIG_AF . 1 AF 
BF 1 43 LIG_BF . 1 BF 
CF 1 44 LIG_CF . 1 CF 
BG 1 45 LIG_BG . 1 BG 
CG 1 46 LIG_CG . 1 CG 
BH 1 47 LIG_BH . 1 BH 
CH 1 48 LIG_CH . 1 CH 
BI 1 49 LIG_BI . 1 BI 
CI 1 50 LIG_CI . 1 CI 
BJ 1 51 LIG_BJ . 1 BJ 
CJ 1 52 LIG_CJ . 1 CJ 
#
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 CA 
30 AB 
31 BB 
32 CB 
33 AC 
34 BC 
35 CC 
36 AD 
37 BD 
38 CD 
39 AE 
40 BE 
41 CE 
42 AF 
43 BF 
44 CF 
45 BG 
46 CG 
47 BH 
48 CH 
49 BI 
50 CI 
51 BJ 
52 CJ 
#
_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   ? 15.172  1.088   20.093  1.00 53.32 1   A  1 
ATOM   2    C CA  . MET    A  1  1   ? 13.939  0.305   19.955  1.00 55.62 1   A  1 
ATOM   3    C C   . MET    A  1  1   ? 14.237  -1.185  20.068  1.00 54.67 1   A  1 
ATOM   4    O O   . MET    A  1  1   ? 15.264  -1.643  19.581  1.00 49.67 1   A  1 
ATOM   5    C CB  . MET    A  1  1   ? 13.281  0.571   18.602  1.00 52.59 1   A  1 
ATOM   6    C CG  . MET    A  1  1   ? 12.774  1.989   18.436  1.00 51.45 1   A  1 
ATOM   7    S SD  . MET    A  1  1   ? 12.037  2.250   16.824  1.00 49.00 1   A  1 
ATOM   8    C CE  . MET    A  1  1   ? 11.436  3.928   16.991  1.00 44.37 1   A  1 
ATOM   9    N N   . SER    A  1  2   ? 13.341  -1.884  20.690  1.00 59.83 2   A  1 
ATOM   10   C CA  . SER    A  1  2   ? 13.505  -3.324  20.841  1.00 61.58 2   A  1 
ATOM   11   C C   . SER    A  1  2   ? 13.044  -4.040  19.577  1.00 63.26 2   A  1 
ATOM   12   O O   . SER    A  1  2   ? 12.029  -3.677  18.982  1.00 58.13 2   A  1 
ATOM   13   C CB  . SER    A  1  2   ? 12.718  -3.828  22.047  1.00 55.78 2   A  1 
ATOM   14   O OG  . SER    A  1  2   ? 11.337  -3.611  21.878  1.00 49.57 2   A  1 
ATOM   15   N N   . ALA    A  1  3   ? 13.795  -5.039  19.187  1.00 62.11 3   A  1 
ATOM   16   C CA  . ALA    A  1  3   ? 13.449  -5.826  18.013  1.00 63.94 3   A  1 
ATOM   17   C C   . ALA    A  1  3   ? 13.078  -7.238  18.441  1.00 66.30 3   A  1 
ATOM   18   O O   . ALA    A  1  3   ? 13.913  -7.971  18.968  1.00 61.38 3   A  1 
ATOM   19   C CB  . ALA    A  1  3   ? 14.618  -5.855  17.040  1.00 57.76 3   A  1 
ATOM   20   N N   . SER    A  1  4   ? 11.841  -7.597  18.196  1.00 71.77 4   A  1 
ATOM   21   C CA  . SER    A  1  4   ? 11.364  -8.928  18.526  1.00 73.82 4   A  1 
ATOM   22   C C   . SER    A  1  4   ? 10.350  -9.335  17.470  1.00 76.70 4   A  1 
ATOM   23   O O   . SER    A  1  4   ? 9.718   -8.485  16.845  1.00 71.84 4   A  1 
ATOM   24   C CB  . SER    A  1  4   ? 10.730  -8.954  19.914  1.00 67.93 4   A  1 
ATOM   25   O OG  . SER    A  1  4   ? 9.592   -8.127  19.961  1.00 59.65 4   A  1 
ATOM   26   N N   . LYS    A  1  5   ? 10.214  -10.627 17.278  1.00 79.97 5   A  1 
ATOM   27   C CA  . LYS    A  1  5   ? 9.274   -11.092 16.271  1.00 82.57 5   A  1 
ATOM   28   C C   . LYS    A  1  5   ? 7.846   -10.826 16.724  1.00 84.62 5   A  1 
ATOM   29   O O   . LYS    A  1  5   ? 7.478   -11.125 17.854  1.00 81.34 5   A  1 
ATOM   30   C CB  . LYS    A  1  5   ? 9.473   -12.574 15.991  1.00 77.84 5   A  1 
ATOM   31   C CG  . LYS    A  1  5   ? 8.561   -13.077 14.889  1.00 69.28 5   A  1 
ATOM   32   C CD  . LYS    A  1  5   ? 8.978   -14.418 14.348  1.00 65.17 5   A  1 
ATOM   33   C CE  . LYS    A  1  5   ? 8.108   -14.793 13.161  1.00 56.57 5   A  1 
ATOM   34   N NZ  . LYS    A  1  5   ? 8.575   -16.028 12.498  1.00 50.68 5   A  1 
ATOM   35   N N   . PHE    A  1  6   ? 7.076   -10.275 15.818  1.00 85.98 6   A  1 
ATOM   36   C CA  . PHE    A  1  6   ? 5.682   -9.995  16.105  1.00 86.83 6   A  1 
ATOM   37   C C   . PHE    A  1  6   ? 4.813   -11.129 15.586  1.00 87.46 6   A  1 
ATOM   38   O O   . PHE    A  1  6   ? 5.005   -11.602 14.468  1.00 84.44 6   A  1 
ATOM   39   C CB  . PHE    A  1  6   ? 5.266   -8.676  15.460  1.00 84.18 6   A  1 
ATOM   40   C CG  . PHE    A  1  6   ? 3.823   -8.323  15.682  1.00 82.57 6   A  1 
ATOM   41   C CD1 . PHE    A  1  6   ? 3.400   -7.842  16.905  1.00 75.58 6   A  1 
ATOM   42   C CD2 . PHE    A  1  6   ? 2.890   -8.479  14.670  1.00 74.36 6   A  1 
ATOM   43   C CE1 . PHE    A  1  6   ? 2.068   -7.523  17.119  1.00 71.34 6   A  1 
ATOM   44   C CE2 . PHE    A  1  6   ? 1.556   -8.164  14.874  1.00 70.50 6   A  1 
ATOM   45   C CZ  . PHE    A  1  6   ? 1.146   -7.681  16.104  1.00 71.25 6   A  1 
ATOM   46   N N   . ILE    A  1  7   ? 3.873   -11.539 16.405  1.00 87.25 7   A  1 
ATOM   47   C CA  . ILE    A  1  7   ? 2.938   -12.589 16.020  1.00 88.46 7   A  1 
ATOM   48   C C   . ILE    A  1  7   ? 1.528   -12.059 16.202  1.00 88.64 7   A  1 
ATOM   49   O O   . ILE    A  1  7   ? 1.160   -11.643 17.301  1.00 86.00 7   A  1 
ATOM   50   C CB  . ILE    A  1  7   ? 3.129   -13.858 16.871  1.00 87.14 7   A  1 
ATOM   51   C CG1 . ILE    A  1  7   ? 4.491   -14.487 16.570  1.00 80.82 7   A  1 
ATOM   52   C CG2 . ILE    A  1  7   ? 2.003   -14.852 16.608  1.00 79.74 7   A  1 
ATOM   53   C CD1 . ILE    A  1  7   ? 4.838   -15.667 17.450  1.00 75.87 7   A  1 
ATOM   54   N N   . LYS    A  1  8   ? 0.766   -12.096 15.131  1.00 89.21 8   A  1 
ATOM   55   C CA  . LYS    A  1  8   ? -0.624  -11.680 15.199  1.00 89.85 8   A  1 
ATOM   56   C C   . LYS    A  1  8   ? -1.503  -12.908 15.360  1.00 89.87 8   A  1 
ATOM   57   O O   . LYS    A  1  8   ? -1.595  -13.736 14.455  1.00 88.02 8   A  1 
ATOM   58   C CB  . LYS    A  1  8   ? -1.029  -10.893 13.960  1.00 88.49 8   A  1 
ATOM   59   C CG  . LYS    A  1  8   ? -2.498  -10.499 13.965  1.00 87.27 8   A  1 
ATOM   60   C CD  . LYS    A  1  8   ? -2.857  -9.535  12.849  1.00 85.41 8   A  1 
ATOM   61   C CE  . LYS    A  1  8   ? -4.339  -9.209  12.896  1.00 83.09 8   A  1 
ATOM   62   N NZ  . LYS    A  1  8   ? -4.731  -8.176  11.901  1.00 78.24 8   A  1 
ATOM   63   N N   . CYS    A  1  9   ? -2.145  -12.997 16.499  1.00 89.35 9   A  1 
ATOM   64   C CA  . CYS    A  1  9   ? -3.025  -14.108 16.818  1.00 89.78 9   A  1 
ATOM   65   C C   . CYS    A  1  9   ? -4.462  -13.604 16.827  1.00 89.55 9   A  1 
ATOM   66   O O   . CYS    A  1  9   ? -4.796  -12.698 17.589  1.00 87.14 9   A  1 
ATOM   67   C CB  . CYS    A  1  9   ? -2.648  -14.690 18.177  1.00 89.18 9   A  1 
ATOM   68   S SG  . CYS    A  1  9   ? -3.735  -16.006 18.744  1.00 84.58 9   A  1 
ATOM   69   N N   . VAL    A  1  10  ? -5.279  -14.185 15.971  1.00 89.87 10  A  1 
ATOM   70   C CA  . VAL    A  1  10  ? -6.672  -13.762 15.857  1.00 89.78 10  A  1 
ATOM   71   C C   . VAL    A  1  10  ? -7.580  -14.869 16.363  1.00 90.05 10  A  1 
ATOM   72   O O   . VAL    A  1  10  ? -7.484  -16.011 15.918  1.00 87.83 10  A  1 
ATOM   73   C CB  . VAL    A  1  10  ? -7.030  -13.422 14.403  1.00 88.46 10  A  1 
ATOM   74   C CG1 . VAL    A  1  10  ? -8.493  -13.012 14.291  1.00 79.27 10  A  1 
ATOM   75   C CG2 . VAL    A  1  10  ? -6.128  -12.316 13.882  1.00 80.03 10  A  1 
ATOM   76   N N   . THR    A  1  11  ? -8.464  -14.511 17.269  1.00 89.05 11  A  1 
ATOM   77   C CA  . THR    A  1  11  ? -9.386  -15.476 17.851  1.00 88.97 11  A  1 
ATOM   78   C C   . THR    A  1  11  ? -10.732 -15.413 17.138  1.00 88.14 11  A  1 
ATOM   79   O O   . THR    A  1  11  ? -11.317 -14.339 17.003  1.00 85.09 11  A  1 
ATOM   80   C CB  . THR    A  1  11  ? -9.572  -15.207 19.346  1.00 88.06 11  A  1 
ATOM   81   O OG1 . THR    A  1  11  ? -8.293  -15.241 19.993  1.00 75.43 11  A  1 
ATOM   82   C CG2 . THR    A  1  11  ? -10.474 -16.245 19.981  1.00 75.33 11  A  1 
ATOM   83   N N   . VAL    A  1  12  ? -11.202 -16.561 16.702  1.00 89.42 12  A  1 
ATOM   84   C CA  . VAL    A  1  12  ? -12.481 -16.647 16.005  1.00 89.75 12  A  1 
ATOM   85   C C   . VAL    A  1  12  ? -13.300 -17.796 16.583  1.00 89.63 12  A  1 
ATOM   86   O O   . VAL    A  1  12  ? -12.775 -18.662 17.279  1.00 85.67 12  A  1 
ATOM   87   C CB  . VAL    A  1  12  ? -12.300 -16.857 14.489  1.00 88.45 12  A  1 
ATOM   88   C CG1 . VAL    A  1  12  ? -11.512 -15.711 13.879  1.00 77.13 12  A  1 
ATOM   89   C CG2 . VAL    A  1  12  ? -11.611 -18.177 14.202  1.00 78.11 12  A  1 
ATOM   90   N N   . GLY    A  1  13  ? -14.587 -17.769 16.277  1.00 88.85 13  A  1 
ATOM   91   C CA  . GLY    A  1  13  ? -15.481 -18.799 16.771  1.00 88.44 13  A  1 
ATOM   92   C C   . GLY    A  1  13  ? -16.855 -18.219 17.033  1.00 87.99 13  A  1 
ATOM   93   O O   . GLY    A  1  13  ? -17.033 -17.003 17.016  1.00 82.03 13  A  1 
ATOM   94   N N   . ASP    A  1  14  ? -17.811 -19.086 17.275  1.00 87.77 14  A  1 
ATOM   95   C CA  . ASP    A  1  14  ? -19.181 -18.650 17.521  1.00 87.46 14  A  1 
ATOM   96   C C   . ASP    A  1  14  ? -19.283 -17.696 18.701  1.00 87.02 14  A  1 
ATOM   97   O O   . ASP    A  1  14  ? -18.414 -17.650 19.574  1.00 82.87 14  A  1 
ATOM   98   C CB  . ASP    A  1  14  ? -20.086 -19.848 17.801  1.00 86.08 14  A  1 
ATOM   99   C CG  . ASP    A  1  14  ? -20.532 -20.568 16.544  1.00 84.64 14  A  1 
ATOM   100  O OD1 . ASP    A  1  14  ? -20.090 -20.203 15.439  1.00 78.71 14  A  1 
ATOM   101  O OD2 . ASP    A  1  14  ? -21.349 -21.502 16.672  1.00 80.16 14  A  1 
ATOM   102  N N   . GLY    A  1  15  ? -20.380 -16.950 18.707  1.00 86.05 15  A  1 
ATOM   103  C CA  . GLY    A  1  15  ? -20.641 -16.100 19.845  1.00 84.67 15  A  1 
ATOM   104  C C   . GLY    A  1  15  ? -20.920 -16.949 21.072  1.00 84.80 15  A  1 
ATOM   105  O O   . GLY    A  1  15  ? -21.384 -18.081 20.962  1.00 80.27 15  A  1 
ATOM   106  N N   . ALA    A  1  16  ? -20.614 -16.394 22.227  1.00 83.54 16  A  1 
ATOM   107  C CA  . ALA    A  1  16  ? -20.885 -17.039 23.510  1.00 83.91 16  A  1 
ATOM   108  C C   . ALA    A  1  16  ? -20.039 -18.273 23.805  1.00 84.69 16  A  1 
ATOM   109  O O   . ALA    A  1  16  ? -20.295 -18.965 24.789  1.00 79.45 16  A  1 
ATOM   110  C CB  . ALA    A  1  16  ? -22.366 -17.390 23.646  1.00 80.90 16  A  1 
ATOM   111  N N   . VAL    A  1  17  ? -19.045 -18.546 23.000  1.00 87.26 17  A  1 
ATOM   112  C CA  . VAL    A  1  17  ? -18.162 -19.671 23.315  1.00 87.59 17  A  1 
ATOM   113  C C   . VAL    A  1  17  ? -17.096 -19.292 24.337  1.00 87.35 17  A  1 
ATOM   114  O O   . VAL    A  1  17  ? -16.408 -20.168 24.862  1.00 82.45 17  A  1 
ATOM   115  C CB  . VAL    A  1  17  ? -17.476 -20.259 22.063  1.00 86.78 17  A  1 
ATOM   116  C CG1 . VAL    A  1  17  ? -18.514 -20.699 21.041  1.00 76.74 17  A  1 
ATOM   117  C CG2 . VAL    A  1  17  ? -16.492 -19.272 21.456  1.00 78.03 17  A  1 
ATOM   118  N N   . GLY    A  1  18  ? -16.967 -18.008 24.595  1.00 86.22 18  A  1 
ATOM   119  C CA  . GLY    A  1  18  ? -16.015 -17.559 25.597  1.00 86.37 18  A  1 
ATOM   120  C C   . GLY    A  1  18  ? -14.714 -17.004 25.059  1.00 87.31 18  A  1 
ATOM   121  O O   . GLY    A  1  18  ? -13.727 -16.948 25.791  1.00 82.99 18  A  1 
ATOM   122  N N   . LYS    A  1  19  ? -14.700 -16.601 23.805  1.00 86.06 19  A  1 
ATOM   123  C CA  . LYS    A  1  19  ? -13.479 -16.052 23.208  1.00 86.00 19  A  1 
ATOM   124  C C   . LYS    A  1  19  ? -12.973 -14.839 23.979  1.00 86.15 19  A  1 
ATOM   125  O O   . LYS    A  1  19  ? -11.791 -14.750 24.318  1.00 83.32 19  A  1 
ATOM   126  C CB  . LYS    A  1  19  ? -13.720 -15.646 21.754  1.00 84.18 19  A  1 
ATOM   127  C CG  . LYS    A  1  19  ? -14.169 -16.765 20.843  1.00 81.63 19  A  1 
ATOM   128  C CD  . LYS    A  1  19  ? -14.173 -16.335 19.381  1.00 80.03 19  A  1 
ATOM   129  C CE  . LYS    A  1  19  ? -15.122 -15.175 19.100  1.00 77.06 19  A  1 
ATOM   130  N NZ  . LYS    A  1  19  ? -16.543 -15.549 19.319  1.00 74.54 19  A  1 
ATOM   131  N N   . THR    A  1  20  ? -13.871 -13.912 24.219  1.00 85.66 20  A  1 
ATOM   132  C CA  . THR    A  1  20  ? -13.488 -12.690 24.910  1.00 85.08 20  A  1 
ATOM   133  C C   . THR    A  1  20  ? -13.031 -12.985 26.336  1.00 85.79 20  A  1 
ATOM   134  O O   . THR    A  1  20  ? -12.033 -12.432 26.800  1.00 83.66 20  A  1 
ATOM   135  C CB  . THR    A  1  20  ? -14.648 -11.690 24.901  1.00 82.91 20  A  1 
ATOM   136  O OG1 . THR    A  1  20  ? -14.981 -11.377 23.547  1.00 73.92 20  A  1 
ATOM   137  C CG2 . THR    A  1  20  ? -14.282 -10.412 25.636  1.00 71.56 20  A  1 
ATOM   138  N N   . CYS    A  1  21  ? -13.745 -13.866 27.009  1.00 86.88 21  A  1 
ATOM   139  C CA  . CYS    A  1  21  ? -13.341 -14.241 28.364  1.00 86.74 21  A  1 
ATOM   140  C C   . CYS    A  1  21  ? -11.961 -14.891 28.366  1.00 87.53 21  A  1 
ATOM   141  O O   . CYS    A  1  21  ? -11.154 -14.636 29.255  1.00 85.32 21  A  1 
ATOM   142  C CB  . CYS    A  1  21  ? -14.356 -15.191 28.986  1.00 84.32 21  A  1 
ATOM   143  S SG  . CYS    A  1  21  ? -15.915 -14.400 29.435  1.00 75.69 21  A  1 
ATOM   144  N N   . MET    A  1  22  ? -11.719 -15.720 27.389  1.00 86.51 22  A  1 
ATOM   145  C CA  . MET    A  1  22  ? -10.423 -16.385 27.300  1.00 87.45 22  A  1 
ATOM   146  C C   . MET    A  1  22  ? -9.301  -15.356 27.154  1.00 87.28 22  A  1 
ATOM   147  O O   . MET    A  1  22  ? -8.265  -15.459 27.812  1.00 85.21 22  A  1 
ATOM   148  C CB  . MET    A  1  22  ? -10.414 -17.359 26.123  1.00 87.05 22  A  1 
ATOM   149  C CG  . MET    A  1  22  ? -9.122  -18.144 25.973  1.00 84.19 22  A  1 
ATOM   150  S SD  . MET    A  1  22  ? -9.208  -19.402 24.682  1.00 84.04 22  A  1 
ATOM   151  C CE  . MET    A  1  22  ? -9.362  -18.391 23.219  1.00 75.79 22  A  1 
ATOM   152  N N   . LEU    A  1  23  ? -9.522  -14.381 26.306  1.00 86.94 23  A  1 
ATOM   153  C CA  . LEU    A  1  23  ? -8.517  -13.343 26.102  1.00 86.85 23  A  1 
ATOM   154  C C   . LEU    A  1  23  ? -8.333  -12.484 27.349  1.00 86.66 23  A  1 
ATOM   155  O O   . LEU    A  1  23  ? -7.203  -12.157 27.720  1.00 84.38 23  A  1 
ATOM   156  C CB  . LEU    A  1  23  ? -8.898  -12.473 24.909  1.00 85.94 23  A  1 
ATOM   157  C CG  . LEU    A  1  23  ? -8.819  -13.172 23.552  1.00 84.40 23  A  1 
ATOM   158  C CD1 . LEU    A  1  23  ? -9.541  -12.368 22.489  1.00 77.84 23  A  1 
ATOM   159  C CD2 . LEU    A  1  23  ? -7.369  -13.382 23.154  1.00 78.63 23  A  1 
ATOM   160  N N   . ILE    A  1  24  ? -9.425  -12.131 27.978  1.00 86.47 24  A  1 
ATOM   161  C CA  . ILE    A  1  24  ? -9.343  -11.328 29.194  1.00 85.63 24  A  1 
ATOM   162  C C   . ILE    A  1  24  ? -8.601  -12.100 30.280  1.00 85.60 24  A  1 
ATOM   163  O O   . ILE    A  1  24  ? -7.732  -11.551 30.958  1.00 83.68 24  A  1 
ATOM   164  C CB  . ILE    A  1  24  ? -10.742 -10.910 29.679  1.00 84.01 24  A  1 
ATOM   165  C CG1 . ILE    A  1  24  ? -11.356 -9.900  28.706  1.00 78.84 24  A  1 
ATOM   166  C CG2 . ILE    A  1  24  ? -10.667 -10.310 31.080  1.00 77.40 24  A  1 
ATOM   167  C CD1 . ILE    A  1  24  ? -12.827 -9.638  28.925  1.00 72.02 24  A  1 
ATOM   168  N N   . CYS    A  1  25  ? -8.932  -13.362 30.430  1.00 87.55 25  A  1 
ATOM   169  C CA  . CYS    A  1  25  ? -8.264  -14.178 31.441  1.00 86.97 25  A  1 
ATOM   170  C C   . CYS    A  1  25  ? -6.769  -14.298 31.162  1.00 87.03 25  A  1 
ATOM   171  O O   . CYS    A  1  25  ? -5.959  -14.240 32.081  1.00 84.03 25  A  1 
ATOM   172  C CB  . CYS    A  1  25  ? -8.893  -15.563 31.512  1.00 85.21 25  A  1 
ATOM   173  S SG  . CYS    A  1  25  ? -10.528 -15.559 32.259  1.00 74.57 25  A  1 
ATOM   174  N N   . TYR    A  1  26  ? -6.442  -14.466 29.910  1.00 86.13 26  A  1 
ATOM   175  C CA  . TYR    A  1  26  ? -5.031  -14.593 29.564  1.00 86.12 26  A  1 
ATOM   176  C C   . TYR    A  1  26  ? -4.260  -13.309 29.863  1.00 85.46 26  A  1 
ATOM   177  O O   . TYR    A  1  26  ? -3.156  -13.359 30.403  1.00 82.07 26  A  1 
ATOM   178  C CB  . TYR    A  1  26  ? -4.880  -14.956 28.090  1.00 85.78 26  A  1 
ATOM   179  C CG  . TYR    A  1  26  ? -3.442  -15.069 27.638  1.00 86.69 26  A  1 
ATOM   180  C CD1 . TYR    A  1  26  ? -2.632  -16.096 28.106  1.00 80.46 26  A  1 
ATOM   181  C CD2 . TYR    A  1  26  ? -2.895  -14.157 26.751  1.00 81.10 26  A  1 
ATOM   182  C CE1 . TYR    A  1  26  ? -1.316  -16.204 27.700  1.00 79.83 26  A  1 
ATOM   183  C CE2 . TYR    A  1  26  ? -1.580  -14.258 26.336  1.00 80.02 26  A  1 
ATOM   184  C CZ  . TYR    A  1  26  ? -0.794  -15.283 26.813  1.00 83.42 26  A  1 
ATOM   185  O OH  . TYR    A  1  26  ? 0.515   -15.392 26.408  1.00 82.13 26  A  1 
ATOM   186  N N   . THR    A  1  27  ? -4.843  -12.187 29.529  1.00 85.12 27  A  1 
ATOM   187  C CA  . THR    A  1  27  ? -4.141  -10.917 29.704  1.00 83.83 27  A  1 
ATOM   188  C C   . THR    A  1  27  ? -4.206  -10.370 31.125  1.00 82.89 27  A  1 
ATOM   189  O O   . THR    A  1  27  ? -3.269  -9.711  31.570  1.00 79.41 27  A  1 
ATOM   190  C CB  . THR    A  1  27  ? -4.687  -9.858  28.740  1.00 82.52 27  A  1 
ATOM   191  O OG1 . THR    A  1  27  ? -6.086  -9.665  28.973  1.00 73.05 27  A  1 
ATOM   192  C CG2 . THR    A  1  27  ? -4.468  -10.277 27.298  1.00 71.66 27  A  1 
ATOM   193  N N   . SER    A  1  28  ? -5.291  -10.628 31.816  1.00 84.26 28  A  1 
ATOM   194  C CA  . SER    A  1  28  ? -5.465  -10.086 33.163  1.00 82.28 28  A  1 
ATOM   195  C C   . SER    A  1  28  ? -5.284  -11.122 34.266  1.00 81.45 28  A  1 
ATOM   196  O O   . SER    A  1  28  ? -5.207  -10.761 35.440  1.00 76.25 28  A  1 
ATOM   197  C CB  . SER    A  1  28  ? -6.850  -9.455  33.302  1.00 79.57 28  A  1 
ATOM   198  O OG  . SER    A  1  28  ? -7.850  -10.447 33.330  1.00 70.04 28  A  1 
ATOM   199  N N   . ASN    A  1  29  ? -5.245  -12.374 33.888  1.00 81.61 29  A  1 
ATOM   200  C CA  . ASN    A  1  29  ? -5.129  -13.476 34.839  1.00 81.37 29  A  1 
ATOM   201  C C   . ASN    A  1  29  ? -6.310  -13.504 35.815  1.00 82.20 29  A  1 
ATOM   202  O O   . ASN    A  1  29  ? -6.173  -13.910 36.966  1.00 75.94 29  A  1 
ATOM   203  C CB  . ASN    A  1  29  ? -3.804  -13.396 35.598  1.00 77.35 29  A  1 
ATOM   204  C CG  . ASN    A  1  29  ? -3.421  -14.721 36.225  1.00 71.37 29  A  1 
ATOM   205  O OD1 . ASN    A  1  29  ? -3.714  -15.783 35.686  1.00 62.13 29  A  1 
ATOM   206  N ND2 . ASN    A  1  29  ? -2.758  -14.657 37.370  1.00 62.07 29  A  1 
ATOM   207  N N   . LYS    A  1  30  ? -7.464  -13.065 35.340  1.00 79.33 30  A  1 
ATOM   208  C CA  . LYS    A  1  30  ? -8.682  -13.071 36.140  1.00 79.00 30  A  1 
ATOM   209  C C   . LYS    A  1  30  ? -9.875  -13.386 35.255  1.00 79.03 30  A  1 
ATOM   210  O O   . LYS    A  1  30  ? -9.889  -13.037 34.076  1.00 73.70 30  A  1 
ATOM   211  C CB  . LYS    A  1  30  ? -8.918  -11.716 36.811  1.00 74.32 30  A  1 
ATOM   212  C CG  . LYS    A  1  30  ? -7.936  -11.365 37.910  1.00 67.81 30  A  1 
ATOM   213  C CD  . LYS    A  1  30  ? -8.297  -10.037 38.542  1.00 63.07 30  A  1 
ATOM   214  C CE  . LYS    A  1  30  ? -7.338  -9.686  39.664  1.00 55.15 30  A  1 
ATOM   215  N NZ  . LYS    A  1  30  ? -7.683  -8.378  40.288  1.00 49.40 30  A  1 
ATOM   216  N N   . PHE    A  1  31  ? -10.862 -14.028 35.842  1.00 79.11 31  A  1 
ATOM   217  C CA  . PHE    A  1  31  ? -12.087 -14.304 35.114  1.00 78.76 31  A  1 
ATOM   218  C C   . PHE    A  1  31  ? -13.023 -13.108 35.265  1.00 79.11 31  A  1 
ATOM   219  O O   . PHE    A  1  31  ? -13.313 -12.697 36.388  1.00 73.44 31  A  1 
ATOM   220  C CB  . PHE    A  1  31  ? -12.752 -15.567 35.650  1.00 73.70 31  A  1 
ATOM   221  C CG  . PHE    A  1  31  ? -13.979 -15.969 34.885  1.00 70.73 31  A  1 
ATOM   222  C CD1 . PHE    A  1  31  ? -13.868 -16.554 33.637  1.00 64.81 31  A  1 
ATOM   223  C CD2 . PHE    A  1  31  ? -15.240 -15.760 35.412  1.00 64.58 31  A  1 
ATOM   224  C CE1 . PHE    A  1  31  ? -14.994 -16.922 32.927  1.00 59.87 31  A  1 
ATOM   225  C CE2 . PHE    A  1  31  ? -16.371 -16.128 34.703  1.00 59.66 31  A  1 
ATOM   226  C CZ  . PHE    A  1  31  ? -16.247 -16.710 33.459  1.00 61.51 31  A  1 
ATOM   227  N N   . PRO    A  1  32  ? -13.498 -12.564 34.169  1.00 79.58 32  A  1 
ATOM   228  C CA  . PRO    A  1  32  ? -14.363 -11.388 34.266  1.00 78.33 32  A  1 
ATOM   229  C C   . PRO    A  1  32  ? -15.727 -11.742 34.849  1.00 78.86 32  A  1 
ATOM   230  O O   . PRO    A  1  32  ? -16.359 -12.710 34.430  1.00 74.31 32  A  1 
ATOM   231  C CB  . PRO    A  1  32  ? -14.486 -10.923 32.816  1.00 73.86 32  A  1 
ATOM   232  C CG  . PRO    A  1  32  ? -14.277 -12.157 32.011  1.00 72.47 32  A  1 
ATOM   233  C CD  . PRO    A  1  32  ? -13.277 -12.977 32.777  1.00 75.76 32  A  1 
ATOM   234  N N   . THR    A  1  33  ? -16.163 -10.944 35.794  1.00 78.66 33  A  1 
ATOM   235  C CA  . THR    A  1  33  ? -17.444 -11.186 36.447  1.00 77.53 33  A  1 
ATOM   236  C C   . THR    A  1  33  ? -18.380 -9.989  36.373  1.00 77.24 33  A  1 
ATOM   237  O O   . THR    A  1  33  ? -19.590 -10.159 36.255  1.00 71.94 33  A  1 
ATOM   238  C CB  . THR    A  1  33  ? -17.244 -11.550 37.921  1.00 73.38 33  A  1 
ATOM   239  O OG1 . THR    A  1  33  ? -16.488 -10.520 38.567  1.00 66.34 33  A  1 
ATOM   240  C CG2 . THR    A  1  33  ? -16.513 -12.871 38.060  1.00 63.56 33  A  1 
ATOM   241  N N   . ASP    A  1  34  ? -17.823 -8.798  36.453  1.00 77.54 34  A  1 
ATOM   242  C CA  . ASP    A  1  34  ? -18.659 -7.604  36.489  1.00 76.49 34  A  1 
ATOM   243  C C   . ASP    A  1  34  ? -19.119 -7.164  35.109  1.00 76.02 34  A  1 
ATOM   244  O O   . ASP    A  1  34  ? -20.293 -6.856  34.909  1.00 71.41 34  A  1 
ATOM   245  C CB  . ASP    A  1  34  ? -17.910 -6.463  37.169  1.00 73.26 34  A  1 
ATOM   246  C CG  . ASP    A  1  34  ? -17.632 -6.749  38.630  1.00 66.82 34  A  1 
ATOM   247  O OD1 . ASP    A  1  34  ? -18.338 -7.587  39.221  1.00 60.02 34  A  1 
ATOM   248  O OD2 . ASP    A  1  34  ? -16.708 -6.128  39.187  1.00 60.19 34  A  1 
ATOM   249  N N   . TYR    A  1  35  ? -18.203 -7.122  34.189  1.00 75.52 35  A  1 
ATOM   250  C CA  . TYR    A  1  35  ? -18.529 -6.647  32.855  1.00 74.28 35  A  1 
ATOM   251  C C   . TYR    A  1  35  ? -17.668 -7.359  31.831  1.00 75.03 35  A  1 
ATOM   252  O O   . TYR    A  1  35  ? -16.454 -7.462  31.997  1.00 71.05 35  A  1 
ATOM   253  C CB  . TYR    A  1  35  ? -18.314 -5.138  32.755  1.00 69.80 35  A  1 
ATOM   254  C CG  . TYR    A  1  35  ? -18.441 -4.598  31.349  1.00 65.10 35  A  1 
ATOM   255  C CD1 . TYR    A  1  35  ? -19.680 -4.487  30.738  1.00 58.81 35  A  1 
ATOM   256  C CD2 . TYR    A  1  35  ? -17.319 -4.206  30.631  1.00 58.49 35  A  1 
ATOM   257  C CE1 . TYR    A  1  35  ? -19.805 -4.003  29.448  1.00 52.31 35  A  1 
ATOM   258  C CE2 . TYR    A  1  35  ? -17.432 -3.720  29.337  1.00 53.28 35  A  1 
ATOM   259  C CZ  . TYR    A  1  35  ? -18.678 -3.621  28.753  1.00 53.40 35  A  1 
ATOM   260  O OH  . TYR    A  1  35  ? -18.795 -3.143  27.468  1.00 49.47 35  A  1 
ATOM   261  N N   . ILE    A  1  36  ? -18.324 -7.836  30.794  1.00 77.16 36  A  1 
ATOM   262  C CA  . ILE    A  1  36  ? -17.618 -8.480  29.698  1.00 76.52 36  A  1 
ATOM   263  C C   . ILE    A  1  36  ? -17.927 -7.693  28.433  1.00 75.85 36  A  1 
ATOM   264  O O   . ILE    A  1  36  ? -19.084 -7.634  28.011  1.00 71.03 36  A  1 
ATOM   265  C CB  . ILE    A  1  36  ? -18.048 -9.942  29.525  1.00 73.36 36  A  1 
ATOM   266  C CG1 . ILE    A  1  36  ? -17.756 -10.735 30.801  1.00 67.30 36  A  1 
ATOM   267  C CG2 . ILE    A  1  36  ? -17.329 -10.563 28.334  1.00 64.96 36  A  1 
ATOM   268  C CD1 . ILE    A  1  36  ? -18.340 -12.127 30.805  1.00 59.84 36  A  1 
ATOM   269  N N   . PRO    A  1  37  ? -16.933 -7.097  27.834  1.00 77.35 37  A  1 
ATOM   270  C CA  . PRO    A  1  37  ? -17.182 -6.340  26.613  1.00 75.69 37  A  1 
ATOM   271  C C   . PRO    A  1  37  ? -17.560 -7.260  25.459  1.00 75.95 37  A  1 
ATOM   272  O O   . PRO    A  1  37  ? -17.267 -8.454  25.478  1.00 72.48 37  A  1 
ATOM   273  C CB  . PRO    A  1  37  ? -15.851 -5.642  26.348  1.00 72.20 37  A  1 
ATOM   274  C CG  . PRO    A  1  37  ? -14.846 -6.514  26.996  1.00 70.60 37  A  1 
ATOM   275  C CD  . PRO    A  1  37  ? -15.519 -7.081  28.213  1.00 73.62 37  A  1 
ATOM   276  N N   . THR    A  1  38  ? -18.216 -6.692  24.470  1.00 75.10 38  A  1 
ATOM   277  C CA  . THR    A  1  38  ? -18.621 -7.464  23.303  1.00 72.40 38  A  1 
ATOM   278  C C   . THR    A  1  38  ? -17.407 -8.012  22.564  1.00 72.36 38  A  1 
ATOM   279  O O   . THR    A  1  38  ? -17.408 -9.155  22.112  1.00 67.72 38  A  1 
ATOM   280  C CB  . THR    A  1  38  ? -19.457 -6.599  22.357  1.00 67.20 38  A  1 
ATOM   281  O OG1 . THR    A  1  38  ? -20.587 -6.079  23.063  1.00 60.13 38  A  1 
ATOM   282  C CG2 . THR    A  1  38  ? -19.935 -7.408  21.165  1.00 58.03 38  A  1 
ATOM   283  N N   . VAL    A  1  39  ? -16.402 -7.185  22.457  1.00 72.71 39  A  1 
ATOM   284  C CA  . VAL    A  1  39  ? -15.169 -7.585  21.797  1.00 72.53 39  A  1 
ATOM   285  C C   . VAL    A  1  39  ? -13.987 -7.068  22.604  1.00 73.31 39  A  1 
ATOM   286  O O   . VAL    A  1  39  ? -13.984 -5.927  23.055  1.00 68.53 39  A  1 
ATOM   287  C CB  . VAL    A  1  39  ? -15.099 -7.048  20.356  1.00 67.07 39  A  1 
ATOM   288  C CG1 . VAL    A  1  39  ? -13.779 -7.419  19.706  1.00 59.68 39  A  1 
ATOM   289  C CG2 . VAL    A  1  39  ? -16.256 -7.581  19.533  1.00 60.64 39  A  1 
ATOM   290  N N   . PHE    A  1  40  ? -13.020 -7.921  22.765  1.00 74.85 40  A  1 
ATOM   291  C CA  . PHE    A  1  40  ? -11.797 -7.576  23.476  1.00 74.63 40  A  1 
ATOM   292  C C   . PHE    A  1  40  ? -10.964 -6.612  22.634  1.00 76.33 40  A  1 
ATOM   293  O O   . PHE    A  1  40  ? -10.794 -6.825  21.438  1.00 70.62 40  A  1 
ATOM   294  C CB  . PHE    A  1  40  ? -11.032 -8.872  23.738  1.00 69.82 40  A  1 
ATOM   295  C CG  . PHE    A  1  40  ? -9.725  -8.712  24.447  1.00 68.42 40  A  1 
ATOM   296  C CD1 . PHE    A  1  40  ? -9.685  -8.553  25.818  1.00 62.38 40  A  1 
ATOM   297  C CD2 . PHE    A  1  40  ? -8.540  -8.764  23.744  1.00 62.43 40  A  1 
ATOM   298  C CE1 . PHE    A  1  40  ? -8.475  -8.436  26.475  1.00 57.94 40  A  1 
ATOM   299  C CE2 . PHE    A  1  40  ? -7.326  -8.646  24.394  1.00 57.76 40  A  1 
ATOM   300  C CZ  . PHE    A  1  40  ? -7.294  -8.482  25.761  1.00 60.89 40  A  1 
ATOM   301  N N   . ASP    A  1  41  ? -10.472 -5.579  23.267  1.00 78.20 41  A  1 
ATOM   302  C CA  . ASP    A  1  41  ? -9.648  -4.619  22.551  1.00 77.21 41  A  1 
ATOM   303  C C   . ASP    A  1  41  ? -8.301  -5.251  22.211  1.00 78.45 41  A  1 
ATOM   304  O O   . ASP    A  1  41  ? -7.779  -6.061  22.974  1.00 73.22 41  A  1 
ATOM   305  C CB  . ASP    A  1  41  ? -9.444  -3.367  23.398  1.00 72.65 41  A  1 
ATOM   306  C CG  . ASP    A  1  41  ? -8.845  -2.217  22.606  1.00 67.59 41  A  1 
ATOM   307  O OD1 . ASP    A  1  41  ? -8.984  -2.195  21.367  1.00 60.42 41  A  1 
ATOM   308  O OD2 . ASP    A  1  41  ? -8.237  -1.326  23.228  1.00 60.60 41  A  1 
ATOM   309  N N   . ASN    A  1  42  ? -7.769  -4.873  21.077  1.00 80.09 42  A  1 
ATOM   310  C CA  . ASN    A  1  42  ? -6.505  -5.458  20.653  1.00 79.60 42  A  1 
ATOM   311  C C   . ASN    A  1  42  ? -5.422  -5.259  21.705  1.00 80.00 42  A  1 
ATOM   312  O O   . ASN    A  1  42  ? -5.311  -4.195  22.310  1.00 74.38 42  A  1 
ATOM   313  C CB  . ASN    A  1  42  ? -6.057  -4.872  19.322  1.00 75.10 42  A  1 
ATOM   314  C CG  . ASN    A  1  42  ? -6.967  -5.262  18.176  1.00 69.26 42  A  1 
ATOM   315  O OD1 . ASN    A  1  42  ? -7.833  -6.126  18.315  1.00 60.50 42  A  1 
ATOM   316  N ND2 . ASN    A  1  42  ? -6.767  -4.629  17.030  1.00 62.81 42  A  1 
ATOM   317  N N   . PHE    A  1  43  ? -4.645  -6.286  21.886  1.00 81.61 43  A  1 
ATOM   318  C CA  . PHE    A  1  43  ? -3.637  -6.322  22.930  1.00 81.68 43  A  1 
ATOM   319  C C   . PHE    A  1  43  ? -2.304  -6.738  22.332  1.00 83.10 43  A  1 
ATOM   320  O O   . PHE    A  1  43  ? -2.259  -7.545  21.407  1.00 78.98 43  A  1 
ATOM   321  C CB  . PHE    A  1  43  ? -4.071  -7.317  24.011  1.00 77.11 43  A  1 
ATOM   322  C CG  . PHE    A  1  43  ? -3.064  -7.543  25.101  1.00 72.15 43  A  1 
ATOM   323  C CD1 . PHE    A  1  43  ? -3.017  -6.708  26.201  1.00 65.97 43  A  1 
ATOM   324  C CD2 . PHE    A  1  43  ? -2.174  -8.599  25.031  1.00 64.12 43  A  1 
ATOM   325  C CE1 . PHE    A  1  43  ? -2.097  -6.923  27.212  1.00 59.26 43  A  1 
ATOM   326  C CE2 . PHE    A  1  43  ? -1.245  -8.822  26.037  1.00 57.78 43  A  1 
ATOM   327  C CZ  . PHE    A  1  43  ? -1.210  -7.981  27.130  1.00 57.56 43  A  1 
ATOM   328  N N   . SER    A  1  44  ? -1.246  -6.192  22.881  1.00 80.81 44  A  1 
ATOM   329  C CA  . SER    A  1  44  ? 0.082   -6.560  22.425  1.00 80.47 44  A  1 
ATOM   330  C C   . SER    A  1  44  ? 1.031   -6.572  23.607  1.00 80.95 44  A  1 
ATOM   331  O O   . SER    A  1  44  ? 1.017   -5.657  24.429  1.00 76.87 44  A  1 
ATOM   332  C CB  . SER    A  1  44  ? 0.580   -5.591  21.364  1.00 76.73 44  A  1 
ATOM   333  O OG  . SER    A  1  44  ? 1.864   -5.957  20.905  1.00 65.67 44  A  1 
ATOM   334  N N   . ALA    A  1  45  ? 1.838   -7.605  23.678  1.00 82.67 45  A  1 
ATOM   335  C CA  . ALA    A  1  45  ? 2.792   -7.716  24.766  1.00 82.23 45  A  1 
ATOM   336  C C   . ALA    A  1  45  ? 3.896   -8.692  24.402  1.00 84.01 45  A  1 
ATOM   337  O O   . ALA    A  1  45  ? 3.721   -9.556  23.544  1.00 80.77 45  A  1 
ATOM   338  C CB  . ALA    A  1  45  ? 2.104   -8.170  26.041  1.00 78.14 45  A  1 
ATOM   339  N N   . ASN    A  1  46  ? 5.007   -8.543  25.070  1.00 85.12 46  A  1 
ATOM   340  C CA  . ASN    A  1  46  ? 6.109   -9.467  24.873  1.00 85.20 46  A  1 
ATOM   341  C C   . ASN    A  1  46  ? 5.883   -10.706 25.723  1.00 85.24 46  A  1 
ATOM   342  O O   . ASN    A  1  46  ? 5.598   -10.607 26.917  1.00 81.83 46  A  1 
ATOM   343  C CB  . ASN    A  1  46  ? 7.433   -8.813  25.240  1.00 83.06 46  A  1 
ATOM   344  C CG  . ASN    A  1  46  ? 7.820   -7.715  24.273  1.00 79.84 46  A  1 
ATOM   345  O OD1 . ASN    A  1  46  ? 7.470   -7.756  23.096  1.00 70.40 46  A  1 
ATOM   346  N ND2 . ASN    A  1  46  ? 8.553   -6.727  24.765  1.00 71.60 46  A  1 
ATOM   347  N N   . VAL    A  1  47  ? 6.009   -11.851 25.094  1.00 85.13 47  A  1 
ATOM   348  C CA  . VAL    A  1  47  ? 5.783   -13.123 25.769  1.00 84.92 47  A  1 
ATOM   349  C C   . VAL    A  1  47  ? 6.982   -14.024 25.526  1.00 84.90 47  A  1 
ATOM   350  O O   . VAL    A  1  47  ? 7.484   -14.110 24.408  1.00 82.39 47  A  1 
ATOM   351  C CB  . VAL    A  1  47  ? 4.507   -13.807 25.259  1.00 83.17 47  A  1 
ATOM   352  C CG1 . VAL    A  1  47  ? 4.301   -15.146 25.948  1.00 73.49 47  A  1 
ATOM   353  C CG2 . VAL    A  1  47  ? 3.298   -12.912 25.470  1.00 74.35 47  A  1 
ATOM   354  N N   . ALA    A  1  48  ? 7.415   -14.685 26.575  1.00 85.56 48  A  1 
ATOM   355  C CA  . ALA    A  1  48  ? 8.532   -15.610 26.461  1.00 85.13 48  A  1 
ATOM   356  C C   . ALA    A  1  48  ? 8.011   -17.035 26.367  1.00 85.21 48  A  1 
ATOM   357  O O   . ALA    A  1  48  ? 7.271   -17.492 27.238  1.00 81.60 48  A  1 
ATOM   358  C CB  . ALA    A  1  48  ? 9.465   -15.466 27.657  1.00 82.54 48  A  1 
ATOM   359  N N   . VAL    A  1  49  ? 8.404   -17.717 25.308  1.00 83.31 49  A  1 
ATOM   360  C CA  . VAL    A  1  49  ? 8.010   -19.103 25.101  1.00 82.67 49  A  1 
ATOM   361  C C   . VAL    A  1  49  ? 9.237   -19.877 24.638  1.00 82.14 49  A  1 
ATOM   362  O O   . VAL    A  1  49  ? 9.848   -19.531 23.628  1.00 78.66 49  A  1 
ATOM   363  C CB  . VAL    A  1  49  ? 6.890   -19.229 24.059  1.00 80.35 49  A  1 
ATOM   364  C CG1 . VAL    A  1  49  ? 6.566   -20.693 23.809  1.00 71.06 49  A  1 
ATOM   365  C CG2 . VAL    A  1  49  ? 5.648   -18.488 24.520  1.00 72.06 49  A  1 
ATOM   366  N N   . ASP    A  1  50  ? 9.568   -20.907 25.383  1.00 82.06 50  A  1 
ATOM   367  C CA  . ASP    A  1  50  ? 10.718  -21.751 25.056  1.00 81.38 50  A  1 
ATOM   368  C C   . ASP    A  1  50  ? 11.996  -20.939 24.861  1.00 81.66 50  A  1 
ATOM   369  O O   . ASP    A  1  50  ? 12.790  -21.204 23.957  1.00 75.82 50  A  1 
ATOM   370  C CB  . ASP    A  1  50  ? 10.433  -22.596 23.811  1.00 78.12 50  A  1 
ATOM   371  C CG  . ASP    A  1  50  ? 9.337   -23.618 24.038  1.00 72.66 50  A  1 
ATOM   372  O OD1 . ASP    A  1  50  ? 9.013   -23.899 25.208  1.00 65.01 50  A  1 
ATOM   373  O OD2 . ASP    A  1  50  ? 8.806   -24.144 23.044  1.00 65.33 50  A  1 
ATOM   374  N N   . GLY    A  1  51  ? 12.168  -19.964 25.716  1.00 83.16 51  A  1 
ATOM   375  C CA  . GLY    A  1  51  ? 13.377  -19.161 25.658  1.00 82.38 51  A  1 
ATOM   376  C C   . GLY    A  1  51  ? 13.401  -18.102 24.576  1.00 83.23 51  A  1 
ATOM   377  O O   . GLY    A  1  51  ? 14.402  -17.405 24.428  1.00 78.75 51  A  1 
ATOM   378  N N   . GLN    A  1  52  ? 12.328  -17.982 23.835  1.00 84.22 52  A  1 
ATOM   379  C CA  . GLN    A  1  52  ? 12.244  -16.966 22.793  1.00 83.89 52  A  1 
ATOM   380  C C   . GLN    A  1  52  ? 11.225  -15.915 23.193  1.00 84.60 52  A  1 
ATOM   381  O O   . GLN    A  1  52  ? 10.126  -16.249 23.629  1.00 81.18 52  A  1 
ATOM   382  C CB  . GLN    A  1  52  ? 11.848  -17.578 21.455  1.00 80.68 52  A  1 
ATOM   383  C CG  . GLN    A  1  52  ? 12.856  -18.566 20.896  1.00 72.52 52  A  1 
ATOM   384  C CD  . GLN    A  1  52  ? 12.463  -19.074 19.525  1.00 69.09 52  A  1 
ATOM   385  O OE1 . GLN    A  1  52  ? 11.859  -18.357 18.728  1.00 62.53 52  A  1 
ATOM   386  N NE2 . GLN    A  1  52  ? 12.806  -20.320 19.232  1.00 60.22 52  A  1 
ATOM   387  N N   . ILE    A  1  53  ? 11.604  -14.672 23.026  1.00 85.65 53  A  1 
ATOM   388  C CA  . ILE    A  1  53  ? 10.695  -13.579 23.329  1.00 85.59 53  A  1 
ATOM   389  C C   . ILE    A  1  53  ? 10.038  -13.122 22.039  1.00 85.94 53  A  1 
ATOM   390  O O   . ILE    A  1  53  ? 10.719  -12.758 21.078  1.00 81.90 53  A  1 
ATOM   391  C CB  . ILE    A  1  53  ? 11.430  -12.409 23.997  1.00 82.92 53  A  1 
ATOM   392  C CG1 . ILE    A  1  53  ? 12.052  -12.866 25.321  1.00 73.22 53  A  1 
ATOM   393  C CG2 . ILE    A  1  53  ? 10.472  -11.249 24.227  1.00 69.80 53  A  1 
ATOM   394  C CD1 . ILE    A  1  53  ? 12.972  -11.847 25.955  1.00 63.39 53  A  1 
ATOM   395  N N   . VAL    A  1  54  ? 8.727   -13.151 22.034  1.00 85.84 54  A  1 
ATOM   396  C CA  . VAL    A  1  54  ? 7.975   -12.702 20.869  1.00 86.36 54  A  1 
ATOM   397  C C   . VAL    A  1  54  ? 7.008   -11.614 21.294  1.00 86.53 54  A  1 
ATOM   398  O O   . VAL    A  1  54  ? 6.562   -11.579 22.440  1.00 84.20 54  A  1 
ATOM   399  C CB  . VAL    A  1  54  ? 7.192   -13.848 20.204  1.00 84.81 54  A  1 
ATOM   400  C CG1 . VAL    A  1  54  ? 8.134   -14.967 19.797  1.00 74.47 54  A  1 
ATOM   401  C CG2 . VAL    A  1  54  ? 6.101   -14.373 21.121  1.00 75.82 54  A  1 
ATOM   402  N N   . ASN    A  1  55  ? 6.701   -10.750 20.362  1.00 88.31 55  A  1 
ATOM   403  C CA  . ASN    A  1  55  ? 5.700   -9.727  20.602  1.00 88.66 55  A  1 
ATOM   404  C C   . ASN    A  1  55  ? 4.377   -10.303 20.122  1.00 88.72 55  A  1 
ATOM   405  O O   . ASN    A  1  55  ? 4.165   -10.456 18.919  1.00 85.93 55  A  1 
ATOM   406  C CB  . ASN    A  1  55  ? 6.060   -8.451  19.852  1.00 86.48 55  A  1 
ATOM   407  C CG  . ASN    A  1  55  ? 5.176   -7.286  20.239  1.00 80.02 55  A  1 
ATOM   408  O OD1 . ASN    A  1  55  ? 3.958   -7.410  20.307  1.00 69.32 55  A  1 
ATOM   409  N ND2 . ASN    A  1  55  ? 5.785   -6.143  20.499  1.00 70.05 55  A  1 
ATOM   410  N N   . LEU    A  1  56  ? 3.529   -10.639 21.060  1.00 87.85 56  A  1 
ATOM   411  C CA  . LEU    A  1  56  ? 2.265   -11.285 20.737  1.00 88.63 56  A  1 
ATOM   412  C C   . LEU    A  1  56  ? 1.135   -10.273 20.671  1.00 88.28 56  A  1 
ATOM   413  O O   . LEU    A  1  56  ? 0.852   -9.585  21.650  1.00 85.39 56  A  1 
ATOM   414  C CB  . LEU    A  1  56  ? 1.935   -12.347 21.782  1.00 87.66 56  A  1 
ATOM   415  C CG  . LEU    A  1  56  ? 0.611   -13.094 21.593  1.00 86.98 56  A  1 
ATOM   416  C CD1 . LEU    A  1  56  ? 0.637   -13.920 20.327  1.00 79.15 56  A  1 
ATOM   417  C CD2 . LEU    A  1  56  ? 0.331   -13.979 22.799  1.00 79.85 56  A  1 
ATOM   418  N N   . GLY    A  1  57  ? 0.497   -10.204 19.513  1.00 89.52 57  A  1 
ATOM   419  C CA  . GLY    A  1  57  ? -0.671  -9.374  19.341  1.00 89.43 57  A  1 
ATOM   420  C C   . GLY    A  1  57  ? -1.902  -10.247 19.373  1.00 89.96 57  A  1 
ATOM   421  O O   . GLY    A  1  57  ? -1.941  -11.281 18.714  1.00 87.24 57  A  1 
ATOM   422  N N   . LEU    A  1  58  ? -2.888  -9.831  20.141  1.00 88.25 58  A  1 
ATOM   423  C CA  . LEU    A  1  58  ? -4.120  -10.594 20.277  1.00 87.99 58  A  1 
ATOM   424  C C   . LEU    A  1  58  ? -5.297  -9.804  19.734  1.00 87.30 58  A  1 
ATOM   425  O O   . LEU    A  1  58  ? -5.536  -8.674  20.155  1.00 83.73 58  A  1 
ATOM   426  C CB  . LEU    A  1  58  ? -4.379  -10.940 21.741  1.00 86.50 58  A  1 
ATOM   427  C CG  . LEU    A  1  58  ? -3.331  -11.807 22.429  1.00 84.49 58  A  1 
ATOM   428  C CD1 . LEU    A  1  58  ? -3.645  -11.934 23.910  1.00 78.73 58  A  1 
ATOM   429  C CD2 . LEU    A  1  58  ? -3.274  -13.183 21.788  1.00 80.01 58  A  1 
ATOM   430  N N   . TRP    A  1  59  ? -6.030  -10.419 18.833  1.00 89.31 59  A  1 
ATOM   431  C CA  . TRP    A  1  59  ? -7.214  -9.817  18.239  1.00 88.97 59  A  1 
ATOM   432  C C   . TRP    A  1  59  ? -8.423  -10.669 18.571  1.00 88.37 59  A  1 
ATOM   433  O O   . TRP    A  1  59  ? -8.383  -11.892 18.450  1.00 83.62 59  A  1 
ATOM   434  C CB  . TRP    A  1  59  ? -7.086  -9.744  16.718  1.00 87.02 59  A  1 
ATOM   435  C CG  . TRP    A  1  59  ? -6.345  -8.567  16.188  1.00 84.63 59  A  1 
ATOM   436  C CD1 . TRP    A  1  59  ? -6.882  -7.503  15.521  1.00 73.09 59  A  1 
ATOM   437  C CD2 . TRP    A  1  59  ? -4.937  -8.324  16.244  1.00 80.05 59  A  1 
ATOM   438  N NE1 . TRP    A  1  59  ? -5.899  -6.623  15.161  1.00 73.37 59  A  1 
ATOM   439  C CE2 . TRP    A  1  59  ? -4.692  -7.095  15.592  1.00 77.02 59  A  1 
ATOM   440  C CE3 . TRP    A  1  59  ? -3.849  -9.018  16.777  1.00 72.40 59  A  1 
ATOM   441  C CZ2 . TRP    A  1  59  ? -3.411  -6.556  15.465  1.00 75.72 59  A  1 
ATOM   442  C CZ3 . TRP    A  1  59  ? -2.577  -8.476  16.650  1.00 66.14 59  A  1 
ATOM   443  C CH2 . TRP    A  1  59  ? -2.373  -7.265  16.001  1.00 68.64 59  A  1 
ATOM   444  N N   . ASP    A  1  60  ? -9.483  -10.008 18.946  1.00 85.30 60  A  1 
ATOM   445  C CA  . ASP    A  1  60  ? -10.743 -10.679 19.195  1.00 84.29 60  A  1 
ATOM   446  C C   . ASP    A  1  60  ? -11.681 -10.379 18.034  1.00 83.83 60  A  1 
ATOM   447  O O   . ASP    A  1  60  ? -11.526 -9.369  17.352  1.00 78.40 60  A  1 
ATOM   448  C CB  . ASP    A  1  60  ? -11.352 -10.193 20.509  1.00 81.52 60  A  1 
ATOM   449  C CG  . ASP    A  1  60  ? -12.499 -11.060 21.000  1.00 79.88 60  A  1 
ATOM   450  O OD1 . ASP    A  1  60  ? -12.728 -12.140 20.426  1.00 72.97 60  A  1 
ATOM   451  O OD2 . ASP    A  1  60  ? -13.163 -10.660 21.980  1.00 74.14 60  A  1 
ATOM   452  N N   . THR    A  1  61  ? -12.639 -11.257 17.813  1.00 85.18 61  A  1 
ATOM   453  C CA  . THR    A  1  61  ? -13.635 -11.038 16.774  1.00 83.41 61  A  1 
ATOM   454  C C   . THR    A  1  61  ? -15.004 -11.377 17.333  1.00 81.36 61  A  1 
ATOM   455  O O   . THR    A  1  61  ? -15.130 -12.154 18.280  1.00 74.11 61  A  1 
ATOM   456  C CB  . THR    A  1  61  ? -13.386 -11.898 15.526  1.00 81.15 61  A  1 
ATOM   457  O OG1 . THR    A  1  61  ? -13.494 -13.285 15.864  1.00 71.16 61  A  1 
ATOM   458  C CG2 . THR    A  1  61  ? -12.018 -11.625 14.929  1.00 70.21 61  A  1 
ATOM   459  N N   . ALA    A  1  62  ? -16.013 -10.798 16.722  1.00 81.18 62  A  1 
ATOM   460  C CA  . ALA    A  1  62  ? -17.378 -11.094 17.124  1.00 78.57 62  A  1 
ATOM   461  C C   . ALA    A  1  62  ? -17.854 -12.343 16.400  1.00 78.35 62  A  1 
ATOM   462  O O   . ALA    A  1  62  ? -17.687 -12.463 15.186  1.00 70.78 62  A  1 
ATOM   463  C CB  . ALA    A  1  62  ? -18.287 -9.917  16.811  1.00 72.61 62  A  1 
ATOM   464  N N   . GLY    A  1  63  ? -18.434 -13.253 17.139  1.00 78.16 63  A  1 
ATOM   465  C CA  . GLY    A  1  63  ? -18.913 -14.488 16.541  1.00 76.23 63  A  1 
ATOM   466  C C   . GLY    A  1  63  ? -20.293 -14.386 15.936  1.00 77.88 63  A  1 
ATOM   467  O O   . GLY    A  1  63  ? -20.709 -15.272 15.193  1.00 71.90 63  A  1 
ATOM   468  N N   . GLN    A  1  64  ? -20.996 -13.328 16.246  1.00 77.92 64  A  1 
ATOM   469  C CA  . GLN    A  1  64  ? -22.361 -13.147 15.769  1.00 77.39 64  A  1 
ATOM   470  C C   . GLN    A  1  64  ? -22.402 -12.900 14.271  1.00 79.27 64  A  1 
ATOM   471  O O   . GLN    A  1  64  ? -21.506 -12.285 13.698  1.00 74.28 64  A  1 
ATOM   472  C CB  . GLN    A  1  64  ? -23.033 -11.991 16.501  1.00 72.39 64  A  1 
ATOM   473  C CG  . GLN    A  1  64  ? -23.251 -12.213 17.991  1.00 66.25 64  A  1 
ATOM   474  C CD  . GLN    A  1  64  ? -22.022 -11.934 18.836  1.00 61.02 64  A  1 
ATOM   475  O OE1 . GLN    A  1  64  ? -20.939 -11.656 18.322  1.00 56.51 64  A  1 
ATOM   476  N NE2 . GLN    A  1  64  ? -22.179 -12.006 20.148  1.00 52.73 64  A  1 
ATOM   477  N N   . GLU    A  1  65  ? -23.475 -13.366 13.662  1.00 77.85 65  A  1 
ATOM   478  C CA  . GLU    A  1  65  ? -23.641 -13.251 12.220  1.00 76.87 65  A  1 
ATOM   479  C C   . GLU    A  1  65  ? -23.684 -11.803 11.747  1.00 78.06 65  A  1 
ATOM   480  O O   . GLU    A  1  65  ? -23.288 -11.509 10.621  1.00 72.74 65  A  1 
ATOM   481  C CB  . GLU    A  1  65  ? -24.913 -13.980 11.793  1.00 73.26 65  A  1 
ATOM   482  C CG  . GLU    A  1  65  ? -24.979 -14.303 10.313  1.00 66.31 65  A  1 
ATOM   483  C CD  . GLU    A  1  65  ? -23.933 -15.320 9.896   1.00 59.99 65  A  1 
ATOM   484  O OE1 . GLU    A  1  65  ? -23.418 -16.054 10.766  1.00 54.47 65  A  1 
ATOM   485  O OE2 . GLU    A  1  65  ? -23.625 -15.384 8.691   1.00 53.50 65  A  1 
ATOM   486  N N   . ASP    A  1  66  ? -24.147 -10.918 12.610  1.00 78.31 66  A  1 
ATOM   487  C CA  . ASP    A  1  66  ? -24.262 -9.507  12.242  1.00 78.21 66  A  1 
ATOM   488  C C   . ASP    A  1  66  ? -22.915 -8.864  11.936  1.00 79.34 66  A  1 
ATOM   489  O O   . ASP    A  1  66  ? -22.866 -7.829  11.276  1.00 75.00 66  A  1 
ATOM   490  C CB  . ASP    A  1  66  ? -24.952 -8.722  13.356  1.00 74.52 66  A  1 
ATOM   491  C CG  . ASP    A  1  66  ? -26.416 -9.088  13.507  1.00 67.89 66  A  1 
ATOM   492  O OD1 . ASP    A  1  66  ? -27.002 -9.631  12.552  1.00 61.13 66  A  1 
ATOM   493  O OD2 . ASP    A  1  66  ? -26.978 -8.825  14.586  1.00 60.93 66  A  1 
ATOM   494  N N   . TYR    A  1  67  ? -21.851 -9.462  12.409  1.00 78.02 67  A  1 
ATOM   495  C CA  . TYR    A  1  67  ? -20.519 -8.909  12.201  1.00 78.70 67  A  1 
ATOM   496  C C   . TYR    A  1  67  ? -19.706 -9.692  11.181  1.00 80.18 67  A  1 
ATOM   497  O O   . TYR    A  1  67  ? -18.496 -9.481  11.064  1.00 75.97 67  A  1 
ATOM   498  C CB  . TYR    A  1  67  ? -19.772 -8.852  13.531  1.00 75.25 67  A  1 
ATOM   499  C CG  . TYR    A  1  67  ? -20.474 -7.998  14.555  1.00 71.75 67  A  1 
ATOM   500  C CD1 . TYR    A  1  67  ? -20.371 -6.616  14.514  1.00 67.04 67  A  1 
ATOM   501  C CD2 . TYR    A  1  67  ? -21.251 -8.573  15.544  1.00 65.18 67  A  1 
ATOM   502  C CE1 . TYR    A  1  67  ? -21.027 -5.825  15.438  1.00 62.55 67  A  1 
ATOM   503  C CE2 . TYR    A  1  67  ? -21.912 -7.787  16.474  1.00 61.22 67  A  1 
ATOM   504  C CZ  . TYR    A  1  67  ? -21.792 -6.416  16.416  1.00 62.29 67  A  1 
ATOM   505  O OH  . TYR    A  1  67  ? -22.443 -5.633  17.337  1.00 58.72 67  A  1 
ATOM   506  N N   . SER    A  1  68  ? -20.363 -10.568 10.457  1.00 83.97 68  A  1 
ATOM   507  C CA  . SER    A  1  68  ? -19.662 -11.400 9.487   1.00 83.25 68  A  1 
ATOM   508  C C   . SER    A  1  68  ? -18.974 -10.586 8.397   1.00 83.79 68  A  1 
ATOM   509  O O   . SER    A  1  68  ? -17.963 -11.019 7.849   1.00 80.16 68  A  1 
ATOM   510  C CB  . SER    A  1  68  ? -20.628 -12.396 8.851   1.00 81.20 68  A  1 
ATOM   511  O OG  . SER    A  1  68  ? -21.643 -11.729 8.138   1.00 71.13 68  A  1 
ATOM   512  N N   . ARG    A  1  69  ? -19.517 -9.428  8.098   1.00 84.39 69  A  1 
ATOM   513  C CA  . ARG    A  1  69  ? -18.920 -8.593  7.065   1.00 84.39 69  A  1 
ATOM   514  C C   . ARG    A  1  69  ? -17.685 -7.843  7.551   1.00 85.22 69  A  1 
ATOM   515  O O   . ARG    A  1  69  ? -16.839 -7.458  6.746   1.00 81.44 69  A  1 
ATOM   516  C CB  . ARG    A  1  69  ? -19.947 -7.593  6.542   1.00 82.28 69  A  1 
ATOM   517  C CG  . ARG    A  1  69  ? -21.116 -8.240  5.821   1.00 75.36 69  A  1 
ATOM   518  C CD  . ARG    A  1  69  ? -22.125 -7.197  5.394   1.00 72.63 69  A  1 
ATOM   519  N NE  . ARG    A  1  69  ? -21.555 -6.266  4.431   1.00 63.63 69  A  1 
ATOM   520  C CZ  . ARG    A  1  69  ? -22.101 -5.095  4.102   1.00 57.86 69  A  1 
ATOM   521  N NH1 . ARG    A  1  69  ? -23.242 -4.709  4.654   1.00 51.97 69  A  1 
ATOM   522  N NH2 . ARG    A  1  69  ? -21.503 -4.313  3.223   1.00 51.11 69  A  1 
ATOM   523  N N   . LEU    A  1  70  ? -17.596 -7.642  8.851   1.00 83.94 70  A  1 
ATOM   524  C CA  . LEU    A  1  70  ? -16.476 -6.899  9.422   1.00 83.97 70  A  1 
ATOM   525  C C   . LEU    A  1  70  ? -15.369 -7.801  9.937   1.00 84.24 70  A  1 
ATOM   526  O O   . LEU    A  1  70  ? -14.199 -7.411  9.952   1.00 80.56 70  A  1 
ATOM   527  C CB  . LEU    A  1  70  ? -16.966 -6.020  10.567  1.00 81.49 70  A  1 
ATOM   528  C CG  . LEU    A  1  70  ? -18.002 -4.955  10.216  1.00 76.48 70  A  1 
ATOM   529  C CD1 . LEU    A  1  70  ? -18.477 -4.261  11.475  1.00 70.43 70  A  1 
ATOM   530  C CD2 . LEU    A  1  70  ? -17.426 -3.952  9.236   1.00 69.57 70  A  1 
ATOM   531  N N   . ARG    A  1  71  ? -15.742 -8.975  10.356  1.00 83.25 71  A  1 
ATOM   532  C CA  . ARG    A  1  71  ? -14.818 -9.922  10.969  1.00 83.35 71  A  1 
ATOM   533  C C   . ARG    A  1  71  ? -13.549 -10.182 10.141  1.00 83.67 71  A  1 
ATOM   534  O O   . ARG    A  1  71  ? -12.449 -10.153 10.691  1.00 81.06 71  A  1 
ATOM   535  C CB  . ARG    A  1  71  ? -15.574 -11.223 11.224  1.00 81.18 71  A  1 
ATOM   536  C CG  . ARG    A  1  71  ? -14.949 -12.130 12.238  1.00 75.91 71  A  1 
ATOM   537  C CD  . ARG    A  1  71  ? -15.747 -13.415 12.351  1.00 77.01 71  A  1 
ATOM   538  N NE  . ARG    A  1  71  ? -17.142 -13.157 12.707  1.00 74.79 71  A  1 
ATOM   539  C CZ  . ARG    A  1  71  ? -18.205 -13.546 12.001  1.00 75.27 71  A  1 
ATOM   540  N NH1 . ARG    A  1  71  ? -18.072 -14.229 10.865  1.00 65.98 71  A  1 
ATOM   541  N NH2 . ARG    A  1  71  ? -19.420 -13.256 12.430  1.00 69.52 71  A  1 
ATOM   542  N N   . PRO    A  1  72  ? -13.687 -10.420 8.841   1.00 86.41 72  A  1 
ATOM   543  C CA  . PRO    A  1  72  ? -12.478 -10.707 8.047   1.00 86.61 72  A  1 
ATOM   544  C C   . PRO    A  1  72  ? -11.462 -9.576  7.999   1.00 87.18 72  A  1 
ATOM   545  O O   . PRO    A  1  72  ? -10.305 -9.813  7.645   1.00 84.09 72  A  1 
ATOM   546  C CB  . PRO    A  1  72  ? -13.032 -10.981 6.650   1.00 84.51 72  A  1 
ATOM   547  C CG  . PRO    A  1  72  ? -14.422 -11.423 6.881   1.00 82.64 72  A  1 
ATOM   548  C CD  . PRO    A  1  72  ? -14.900 -10.636 8.059   1.00 85.50 72  A  1 
ATOM   549  N N   . LEU    A  1  73  ? -11.864 -8.385  8.364   1.00 86.07 73  A  1 
ATOM   550  C CA  . LEU    A  1  73  ? -10.922 -7.274  8.375   1.00 85.77 73  A  1 
ATOM   551  C C   . LEU    A  1  73  ? -9.814  -7.499  9.397   1.00 85.86 73  A  1 
ATOM   552  O O   . LEU    A  1  73  ? -8.714  -6.971  9.243   1.00 82.39 73  A  1 
ATOM   553  C CB  . LEU    A  1  73  ? -11.646 -5.965  8.677   1.00 84.30 73  A  1 
ATOM   554  C CG  . LEU    A  1  73  ? -12.706 -5.531  7.660   1.00 80.83 73  A  1 
ATOM   555  C CD1 . LEU    A  1  73  ? -13.430 -4.298  8.152   1.00 74.09 73  A  1 
ATOM   556  C CD2 . LEU    A  1  73  ? -12.076 -5.274  6.305   1.00 73.58 73  A  1 
ATOM   557  N N   . SER    A  1  74  ? -10.115 -8.279  10.417  1.00 85.94 74  A  1 
ATOM   558  C CA  . SER    A  1  74  ? -9.113  -8.588  11.431  1.00 85.53 74  A  1 
ATOM   559  C C   . SER    A  1  74  ? -8.156  -9.689  10.986  1.00 86.46 74  A  1 
ATOM   560  O O   . SER    A  1  74  ? -7.142  -9.917  11.642  1.00 83.49 74  A  1 
ATOM   561  C CB  . SER    A  1  74  ? -9.783  -9.011  12.735  1.00 83.20 74  A  1 
ATOM   562  O OG  . SER    A  1  74  ? -10.544 -7.953  13.286  1.00 73.91 74  A  1 
ATOM   563  N N   . TYR    A  1  75  ? -8.473  -10.353 9.904   1.00 86.45 75  A  1 
ATOM   564  C CA  . TYR    A  1  75  ? -7.664  -11.485 9.463   1.00 86.85 75  A  1 
ATOM   565  C C   . TYR    A  1  75  ? -6.400  -11.072 8.717   1.00 86.79 75  A  1 
ATOM   566  O O   . TYR    A  1  75  ? -5.511  -11.900 8.517   1.00 82.35 75  A  1 
ATOM   567  C CB  . TYR    A  1  75  ? -8.482  -12.408 8.557   1.00 85.50 75  A  1 
ATOM   568  C CG  . TYR    A  1  75  ? -9.721  -13.012 9.184   1.00 85.70 75  A  1 
ATOM   569  C CD1 . TYR    A  1  75  ? -9.952  -12.955 10.550  1.00 79.14 75  A  1 
ATOM   570  C CD2 . TYR    A  1  75  ? -10.661 -13.661 8.392   1.00 80.07 75  A  1 
ATOM   571  C CE1 . TYR    A  1  75  ? -11.089 -13.507 11.111  1.00 79.01 75  A  1 
ATOM   572  C CE2 . TYR    A  1  75  ? -11.796 -14.220 8.940   1.00 78.87 75  A  1 
ATOM   573  C CZ  . TYR    A  1  75  ? -12.011 -14.139 10.297  1.00 82.36 75  A  1 
ATOM   574  O OH  . TYR    A  1  75  ? -13.144 -14.685 10.850  1.00 80.80 75  A  1 
ATOM   575  N N   . ARG    A  1  76  ? -6.340  -9.835  8.318   1.00 88.33 76  A  1 
ATOM   576  C CA  . ARG    A  1  76  ? -5.188  -9.379  7.556   1.00 87.90 76  A  1 
ATOM   577  C C   . ARG    A  1  76  ? -3.921  -9.468  8.397   1.00 88.08 76  A  1 
ATOM   578  O O   . ARG    A  1  76  ? -3.870  -8.974  9.519   1.00 84.39 76  A  1 
ATOM   579  C CB  . ARG    A  1  76  ? -5.381  -7.942  7.092   1.00 86.17 76  A  1 
ATOM   580  C CG  . ARG    A  1  76  ? -6.507  -7.777  6.093   1.00 77.10 76  A  1 
ATOM   581  C CD  . ARG    A  1  76  ? -6.643  -6.336  5.670   1.00 74.09 76  A  1 
ATOM   582  N NE  . ARG    A  1  76  ? -7.780  -6.143  4.771   1.00 64.97 76  A  1 
ATOM   583  C CZ  . ARG    A  1  76  ? -8.150  -4.971  4.271   1.00 58.15 76  A  1 
ATOM   584  N NH1 . ARG    A  1  76  ? -7.467  -3.870  4.567   1.00 51.66 76  A  1 
ATOM   585  N NH2 . ARG    A  1  76  ? -9.198  -4.892  3.471   1.00 51.33 76  A  1 
ATOM   586  N N   . GLY    A  1  77  ? -2.929  -10.090 7.831   1.00 87.73 77  A  1 
ATOM   587  C CA  . GLY    A  1  77  ? -1.659  -10.221 8.517   1.00 88.09 77  A  1 
ATOM   588  C C   . GLY    A  1  77  ? -1.646  -11.215 9.657   1.00 89.37 77  A  1 
ATOM   589  O O   . GLY    A  1  77  ? -0.668  -11.273 10.403  1.00 85.96 77  A  1 
ATOM   590  N N   . ALA    A  1  78  ? -2.707  -11.985 9.800   1.00 88.17 78  A  1 
ATOM   591  C CA  . ALA    A  1  78  ? -2.754  -12.957 10.884  1.00 88.83 78  A  1 
ATOM   592  C C   . ALA    A  1  78  ? -1.677  -14.020 10.697  1.00 88.81 78  A  1 
ATOM   593  O O   . ALA    A  1  78  ? -1.481  -14.529 9.593   1.00 85.80 78  A  1 
ATOM   594  C CB  . ALA    A  1  78  ? -4.124  -13.615 10.958  1.00 87.99 78  A  1 
ATOM   595  N N   . ASP    A  1  79  ? -0.995  -14.332 11.771  1.00 89.92 79  A  1 
ATOM   596  C CA  . ASP    A  1  79  ? 0.002   -15.394 11.748  1.00 89.70 79  A  1 
ATOM   597  C C   . ASP    A  1  79  ? -0.592  -16.712 12.209  1.00 90.20 79  A  1 
ATOM   598  O O   . ASP    A  1  79  ? -0.104  -17.776 11.831  1.00 87.51 79  A  1 
ATOM   599  C CB  . ASP    A  1  79  ? 1.181   -15.020 12.640  1.00 88.03 79  A  1 
ATOM   600  C CG  . ASP    A  1  79  ? 1.952   -13.831 12.104  1.00 86.56 79  A  1 
ATOM   601  O OD1 . ASP    A  1  79  ? 2.389   -13.887 10.939  1.00 78.74 79  A  1 
ATOM   602  O OD2 . ASP    A  1  79  ? 2.111   -12.841 12.843  1.00 78.76 79  A  1 
ATOM   603  N N   . ILE    A  1  80  ? -1.619  -16.625 13.016  1.00 90.55 80  A  1 
ATOM   604  C CA  . ILE    A  1  80  ? -2.278  -17.829 13.496  1.00 91.54 80  A  1 
ATOM   605  C C   . ILE    A  1  80  ? -3.684  -17.500 13.969  1.00 91.54 80  A  1 
ATOM   606  O O   . ILE    A  1  80  ? -3.944  -16.406 14.472  1.00 89.10 80  A  1 
ATOM   607  C CB  . ILE    A  1  80  ? -1.465  -18.486 14.626  1.00 90.60 80  A  1 
ATOM   608  C CG1 . ILE    A  1  80  ? -2.029  -19.871 14.959  1.00 81.93 80  A  1 
ATOM   609  C CG2 . ILE    A  1  80  ? -1.432  -17.601 15.868  1.00 82.33 80  A  1 
ATOM   610  C CD1 . ILE    A  1  80  ? -1.030  -20.791 15.594  1.00 78.81 80  A  1 
ATOM   611  N N   . PHE    A  1  81  ? -4.574  -18.453 13.788  1.00 91.24 81  A  1 
ATOM   612  C CA  . PHE    A  1  81  ? -5.934  -18.335 14.289  1.00 91.64 81  A  1 
ATOM   613  C C   . PHE    A  1  81  ? -6.120  -19.248 15.487  1.00 91.93 81  A  1 
ATOM   614  O O   . PHE    A  1  81  ? -5.667  -20.393 15.481  1.00 90.15 81  A  1 
ATOM   615  C CB  . PHE    A  1  81  ? -6.953  -18.739 13.229  1.00 90.86 81  A  1 
ATOM   616  C CG  . PHE    A  1  81  ? -7.098  -17.751 12.111  1.00 90.10 81  A  1 
ATOM   617  C CD1 . PHE    A  1  81  ? -7.660  -16.510 12.341  1.00 84.68 81  A  1 
ATOM   618  C CD2 . PHE    A  1  81  ? -6.687  -18.070 10.830  1.00 84.23 81  A  1 
ATOM   619  C CE1 . PHE    A  1  81  ? -7.803  -15.597 11.310  1.00 83.15 81  A  1 
ATOM   620  C CE2 . PHE    A  1  81  ? -6.829  -17.163 9.795   1.00 82.35 81  A  1 
ATOM   621  C CZ  . PHE    A  1  81  ? -7.387  -15.923 10.036  1.00 86.02 81  A  1 
ATOM   622  N N   . VAL    A  1  82  ? -6.811  -18.731 16.474  1.00 91.17 82  A  1 
ATOM   623  C CA  . VAL    A  1  82  ? -7.287  -19.553 17.575  1.00 91.48 82  A  1 
ATOM   624  C C   . VAL    A  1  82  ? -8.774  -19.714 17.307  1.00 91.08 82  A  1 
ATOM   625  O O   . VAL    A  1  82  ? -9.544  -18.760 17.443  1.00 88.87 82  A  1 
ATOM   626  C CB  . VAL    A  1  82  ? -7.026  -18.894 18.939  1.00 90.61 82  A  1 
ATOM   627  C CG1 . VAL    A  1  82  ? -7.796  -19.612 20.040  1.00 82.78 82  A  1 
ATOM   628  C CG2 . VAL    A  1  82  ? -5.537  -18.918 19.247  1.00 83.01 82  A  1 
ATOM   629  N N   . LEU    A  1  83  ? -9.150  -20.899 16.890  1.00 91.47 83  A  1 
ATOM   630  C CA  . LEU    A  1  83  ? -10.533 -21.175 16.527  1.00 91.96 83  A  1 
ATOM   631  C C   . LEU    A  1  83  ? -11.201 -21.876 17.699  1.00 92.01 83  A  1 
ATOM   632  O O   . LEU    A  1  83  ? -10.861 -23.013 18.029  1.00 89.64 83  A  1 
ATOM   633  C CB  . LEU    A  1  83  ? -10.575 -22.031 15.264  1.00 90.54 83  A  1 
ATOM   634  C CG  . LEU    A  1  83  ? -11.928 -22.529 14.755  1.00 88.66 83  A  1 
ATOM   635  C CD1 . LEU    A  1  83  ? -12.950 -21.416 14.679  1.00 80.09 83  A  1 
ATOM   636  C CD2 . LEU    A  1  83  ? -11.741 -23.171 13.386  1.00 81.09 83  A  1 
ATOM   637  N N   . ALA    A  1  84  ? -12.138 -21.193 18.308  1.00 91.47 84  A  1 
ATOM   638  C CA  . ALA    A  1  84  ? -12.747 -21.684 19.533  1.00 91.76 84  A  1 
ATOM   639  C C   . ALA    A  1  84  ? -14.173 -22.169 19.346  1.00 91.48 84  A  1 
ATOM   640  O O   . ALA    A  1  84  ? -14.943 -21.602 18.569  1.00 88.36 84  A  1 
ATOM   641  C CB  . ALA    A  1  84  ? -12.714 -20.593 20.597  1.00 90.33 84  A  1 
ATOM   642  N N   . PHE    A  1  85  ? -14.497 -23.201 20.071  1.00 91.41 85  A  1 
ATOM   643  C CA  . PHE    A  1  85  ? -15.865 -23.681 20.174  1.00 91.57 85  A  1 
ATOM   644  C C   . PHE    A  1  85  ? -16.081 -24.066 21.630  1.00 91.10 85  A  1 
ATOM   645  O O   . PHE    A  1  85  ? -15.121 -24.275 22.376  1.00 88.82 85  A  1 
ATOM   646  C CB  . PHE    A  1  85  ? -16.125 -24.875 19.247  1.00 91.12 85  A  1 
ATOM   647  C CG  . PHE    A  1  85  ? -15.428 -26.141 19.658  1.00 91.63 85  A  1 
ATOM   648  C CD1 . PHE    A  1  85  ? -14.149 -26.420 19.202  1.00 85.25 85  A  1 
ATOM   649  C CD2 . PHE    A  1  85  ? -16.052 -27.055 20.490  1.00 85.21 85  A  1 
ATOM   650  C CE1 . PHE    A  1  85  ? -13.502 -27.585 19.580  1.00 85.72 85  A  1 
ATOM   651  C CE2 . PHE    A  1  85  ? -15.410 -28.222 20.873  1.00 84.93 85  A  1 
ATOM   652  C CZ  . PHE    A  1  85  ? -14.132 -28.486 20.417  1.00 88.92 85  A  1 
ATOM   653  N N   . SER    A  1  86  ? -17.333 -24.161 22.019  1.00 91.86 86  A  1 
ATOM   654  C CA  . SER    A  1  86  ? -17.636 -24.520 23.397  1.00 91.46 86  A  1 
ATOM   655  C C   . SER    A  1  86  ? -17.847 -26.019 23.524  1.00 91.46 86  A  1 
ATOM   656  O O   . SER    A  1  86  ? -18.598 -26.616 22.757  1.00 89.27 86  A  1 
ATOM   657  C CB  . SER    A  1  86  ? -18.879 -23.783 23.879  1.00 89.82 86  A  1 
ATOM   658  O OG  . SER    A  1  86  ? -19.282 -24.257 25.148  1.00 80.07 86  A  1 
ATOM   659  N N   . LEU    A  1  87  ? -17.204 -26.602 24.500  1.00 90.86 87  A  1 
ATOM   660  C CA  . LEU    A  1  87  ? -17.333 -28.033 24.745  1.00 91.15 87  A  1 
ATOM   661  C C   . LEU    A  1  87  ? -18.735 -28.427 25.192  1.00 90.38 87  A  1 
ATOM   662  O O   . LEU    A  1  87  ? -19.060 -29.612 25.201  1.00 87.46 87  A  1 
ATOM   663  C CB  . LEU    A  1  87  ? -16.308 -28.473 25.786  1.00 90.70 87  A  1 
ATOM   664  C CG  . LEU    A  1  87  ? -14.853 -28.408 25.324  1.00 89.99 87  A  1 
ATOM   665  C CD1 . LEU    A  1  87  ? -13.906 -28.511 26.511  1.00 84.58 87  A  1 
ATOM   666  C CD2 . LEU    A  1  87  ? -14.564 -29.517 24.323  1.00 85.09 87  A  1 
ATOM   667  N N   . ILE    A  1  88  ? -19.536 -27.456 25.537  1.00 89.92 88  A  1 
ATOM   668  C CA  . ILE    A  1  88  ? -20.913 -27.736 25.933  1.00 89.02 88  A  1 
ATOM   669  C C   . ILE    A  1  88  ? -21.917 -27.261 24.888  1.00 88.79 88  A  1 
ATOM   670  O O   . ILE    A  1  88  ? -23.117 -27.213 25.160  1.00 84.20 88  A  1 
ATOM   671  C CB  . ILE    A  1  88  ? -21.244 -27.110 27.304  1.00 86.88 88  A  1 
ATOM   672  C CG1 . ILE    A  1  88  ? -21.182 -25.585 27.233  1.00 78.59 88  A  1 
ATOM   673  C CG2 . ILE    A  1  88  ? -20.308 -27.652 28.369  1.00 74.88 88  A  1 
ATOM   674  C CD1 . ILE    A  1  88  ? -21.821 -24.887 28.415  1.00 71.45 88  A  1 
ATOM   675  N N   . SER    A  1  89  ? -21.430 -26.918 23.715  1.00 89.23 89  A  1 
ATOM   676  C CA  . SER    A  1  89  ? -22.305 -26.461 22.644  1.00 88.98 89  A  1 
ATOM   677  C C   . SER    A  1  89  ? -21.996 -27.219 21.365  1.00 89.59 89  A  1 
ATOM   678  O O   . SER    A  1  89  ? -21.015 -26.930 20.682  1.00 87.67 89  A  1 
ATOM   679  C CB  . SER    A  1  89  ? -22.151 -24.965 22.412  1.00 87.28 89  A  1 
ATOM   680  O OG  . SER    A  1  89  ? -22.883 -24.554 21.273  1.00 81.06 89  A  1 
ATOM   681  N N   . LYS    A  1  90  ? -22.850 -28.167 21.041  1.00 89.90 90  A  1 
ATOM   682  C CA  . LYS    A  1  90  ? -22.664 -28.940 19.823  1.00 90.30 90  A  1 
ATOM   683  C C   . LYS    A  1  90  ? -22.757 -28.049 18.589  1.00 91.03 90  A  1 
ATOM   684  O O   . LYS    A  1  90  ? -22.071 -28.284 17.594  1.00 88.75 90  A  1 
ATOM   685  C CB  . LYS    A  1  90  ? -23.696 -30.064 19.749  1.00 88.77 90  A  1 
ATOM   686  C CG  . LYS    A  1  90  ? -23.461 -31.037 18.611  1.00 80.71 90  A  1 
ATOM   687  C CD  . LYS    A  1  90  ? -24.444 -32.183 18.643  1.00 74.77 90  A  1 
ATOM   688  C CE  . LYS    A  1  90  ? -24.188 -33.150 17.501  1.00 66.66 90  A  1 
ATOM   689  N NZ  . LYS    A  1  90  ? -25.150 -34.285 17.502  1.00 58.44 90  A  1 
ATOM   690  N N   . ALA    A  1  91  ? -23.595 -27.039 18.656  1.00 90.53 91  A  1 
ATOM   691  C CA  . ALA    A  1  91  ? -23.740 -26.117 17.534  1.00 90.48 91  A  1 
ATOM   692  C C   . ALA    A  1  91  ? -22.431 -25.393 17.246  1.00 91.01 91  A  1 
ATOM   693  O O   . ALA    A  1  91  ? -22.043 -25.239 16.086  1.00 88.39 91  A  1 
ATOM   694  C CB  . ALA    A  1  91  ? -24.849 -25.114 17.816  1.00 88.79 91  A  1 
ATOM   695  N N   . SER    A  1  92  ? -21.762 -24.951 18.286  1.00 90.20 92  A  1 
ATOM   696  C CA  . SER    A  1  92  ? -20.493 -24.258 18.089  1.00 89.97 92  A  1 
ATOM   697  C C   . SER    A  1  92  ? -19.447 -25.203 17.505  1.00 90.37 92  A  1 
ATOM   698  O O   . SER    A  1  92  ? -18.608 -24.791 16.704  1.00 87.74 92  A  1 
ATOM   699  C CB  . SER    A  1  92  ? -19.993 -23.652 19.403  1.00 88.79 92  A  1 
ATOM   700  O OG  . SER    A  1  92  ? -19.583 -24.645 20.316  1.00 82.17 92  A  1 
ATOM   701  N N   . TYR    A  1  93  ? -19.513 -26.446 17.909  1.00 90.37 93  A  1 
ATOM   702  C CA  . TYR    A  1  93  ? -18.611 -27.468 17.382  1.00 91.53 93  A  1 
ATOM   703  C C   . TYR    A  1  93  ? -18.859 -27.685 15.891  1.00 91.64 93  A  1 
ATOM   704  O O   . TYR    A  1  93  ? -17.922 -27.703 15.091  1.00 89.59 93  A  1 
ATOM   705  C CB  . TYR    A  1  93  ? -18.821 -28.763 18.164  1.00 91.29 93  A  1 
ATOM   706  C CG  . TYR    A  1  93  ? -18.060 -29.962 17.654  1.00 91.76 93  A  1 
ATOM   707  C CD1 . TYR    A  1  93  ? -16.765 -30.217 18.082  1.00 85.54 93  A  1 
ATOM   708  C CD2 . TYR    A  1  93  ? -18.649 -30.856 16.775  1.00 86.33 93  A  1 
ATOM   709  C CE1 . TYR    A  1  93  ? -16.073 -31.329 17.640  1.00 85.54 93  A  1 
ATOM   710  C CE2 . TYR    A  1  93  ? -17.963 -31.969 16.322  1.00 85.20 93  A  1 
ATOM   711  C CZ  . TYR    A  1  93  ? -16.678 -32.202 16.757  1.00 88.92 93  A  1 
ATOM   712  O OH  . TYR    A  1  93  ? -15.996 -33.305 16.310  1.00 87.74 93  A  1 
ATOM   713  N N   . GLU    A  1  94  ? -20.115 -27.833 15.535  1.00 92.06 94  A  1 
ATOM   714  C CA  . GLU    A  1  94  ? -20.463 -28.062 14.134  1.00 92.00 94  A  1 
ATOM   715  C C   . GLU    A  1  94  ? -20.157 -26.853 13.261  1.00 91.90 94  A  1 
ATOM   716  O O   . GLU    A  1  94  ? -19.800 -27.001 12.090  1.00 89.41 94  A  1 
ATOM   717  C CB  . GLU    A  1  94  ? -21.937 -28.439 14.021  1.00 90.69 94  A  1 
ATOM   718  C CG  . GLU    A  1  94  ? -22.259 -29.791 14.634  1.00 85.75 94  A  1 
ATOM   719  C CD  . GLU    A  1  94  ? -23.739 -30.122 14.605  1.00 82.11 94  A  1 
ATOM   720  O OE1 . GLU    A  1  94  ? -24.544 -29.225 14.287  1.00 74.92 94  A  1 
ATOM   721  O OE2 . GLU    A  1  94  ? -24.094 -31.277 14.905  1.00 74.68 94  A  1 
ATOM   722  N N   . ASN    A  1  95  ? -20.293 -25.682 13.825  1.00 90.56 95  A  1 
ATOM   723  C CA  . ASN    A  1  95  ? -20.029 -24.472 13.054  1.00 90.33 95  A  1 
ATOM   724  C C   . ASN    A  1  95  ? -18.553 -24.289 12.726  1.00 90.60 95  A  1 
ATOM   725  O O   . ASN    A  1  95  ? -18.220 -23.464 11.877  1.00 88.20 95  A  1 
ATOM   726  C CB  . ASN    A  1  95  ? -20.561 -23.241 13.782  1.00 89.10 95  A  1 
ATOM   727  C CG  . ASN    A  1  95  ? -22.053 -23.059 13.594  1.00 87.14 95  A  1 
ATOM   728  O OD1 . ASN    A  1  95  ? -22.635 -23.566 12.639  1.00 78.29 95  A  1 
ATOM   729  N ND2 . ASN    A  1  95  ? -22.681 -22.322 14.495  1.00 78.17 95  A  1 
ATOM   730  N N   . VAL    A  1  96  ? -17.701 -25.033 13.374  1.00 90.85 96  A  1 
ATOM   731  C CA  . VAL    A  1  96  ? -16.286 -24.968 13.016  1.00 90.83 96  A  1 
ATOM   732  C C   . VAL    A  1  96  ? -16.125 -25.352 11.546  1.00 90.95 96  A  1 
ATOM   733  O O   . VAL    A  1  96  ? -15.418 -24.677 10.791  1.00 88.88 96  A  1 
ATOM   734  C CB  . VAL    A  1  96  ? -15.446 -25.884 13.912  1.00 90.17 96  A  1 
ATOM   735  C CG1 . VAL    A  1  96  ? -14.029 -26.013 13.372  1.00 81.48 96  A  1 
ATOM   736  C CG2 . VAL    A  1  96  ? -15.415 -25.343 15.332  1.00 82.77 96  A  1 
ATOM   737  N N   . LEU    A  1  97  ? -16.800 -26.409 11.138  1.00 91.79 97  A  1 
ATOM   738  C CA  . LEU    A  1  97  ? -16.738 -26.845 9.746   1.00 91.86 97  A  1 
ATOM   739  C C   . LEU    A  1  97  ? -17.696 -26.079 8.847   1.00 91.85 97  A  1 
ATOM   740  O O   . LEU    A  1  97  ? -17.348 -25.741 7.714   1.00 89.06 97  A  1 
ATOM   741  C CB  . LEU    A  1  97  ? -17.048 -28.333 9.637   1.00 90.07 97  A  1 
ATOM   742  C CG  . LEU    A  1  97  ? -15.941 -29.287 10.055  1.00 82.64 97  A  1 
ATOM   743  C CD1 . LEU    A  1  97  ? -16.495 -30.690 10.184  1.00 75.90 97  A  1 
ATOM   744  C CD2 . LEU    A  1  97  ? -14.803 -29.253 9.045   1.00 75.69 97  A  1 
ATOM   745  N N   . LYS    A  1  98  ? -18.893 -25.829 9.336   1.00 92.20 98  A  1 
ATOM   746  C CA  . LYS    A  1  98  ? -19.921 -25.214 8.504   1.00 92.10 98  A  1 
ATOM   747  C C   . LYS    A  1  98  ? -19.706 -23.730 8.264   1.00 91.98 98  A  1 
ATOM   748  O O   . LYS    A  1  98  ? -20.051 -23.223 7.198   1.00 89.07 98  A  1 
ATOM   749  C CB  . LYS    A  1  98  ? -21.295 -25.407 9.137   1.00 90.70 98  A  1 
ATOM   750  C CG  . LYS    A  1  98  ? -21.772 -26.840 9.209   1.00 81.58 98  A  1 
ATOM   751  C CD  . LYS    A  1  98  ? -23.137 -26.901 9.868   1.00 77.11 98  A  1 
ATOM   752  C CE  . LYS    A  1  98  ? -23.647 -28.320 9.973   1.00 66.21 98  A  1 
ATOM   753  N NZ  . LYS    A  1  98  ? -24.973 -28.375 10.653  1.00 58.43 98  A  1 
ATOM   754  N N   . LYS    A  1  99  ? -19.179 -23.049 9.240   1.00 91.12 99  A  1 
ATOM   755  C CA  . LYS    A  1  99  ? -19.088 -21.597 9.178   1.00 90.82 99  A  1 
ATOM   756  C C   . LYS    A  1  99  ? -17.657 -21.083 9.188   1.00 91.09 99  A  1 
ATOM   757  O O   . LYS    A  1  99  ? -17.263 -20.322 8.303   1.00 89.04 99  A  1 
ATOM   758  C CB  . LYS    A  1  99  ? -19.863 -20.995 10.347  1.00 88.74 99  A  1 
ATOM   759  C CG  . LYS    A  1  99  ? -19.801 -19.484 10.452  1.00 81.00 99  A  1 
ATOM   760  C CD  . LYS    A  1  99  ? -20.614 -19.006 11.635  1.00 78.84 99  A  1 
ATOM   761  C CE  . LYS    A  1  99  ? -20.513 -17.507 11.811  1.00 70.96 99  A  1 
ATOM   762  N NZ  . LYS    A  1  99  ? -21.313 -17.036 12.976  1.00 65.47 99  A  1 
ATOM   763  N N   . TRP    A  1  100 ? -16.904 -21.483 10.189  1.00 91.57 100 A  1 
ATOM   764  C CA  . TRP    A  1  100 ? -15.592 -20.874 10.372  1.00 91.47 100 A  1 
ATOM   765  C C   . TRP    A  1  100 ? -14.550 -21.323 9.366   1.00 91.57 100 A  1 
ATOM   766  O O   . TRP    A  1  100 ? -13.809 -20.489 8.840   1.00 88.82 100 A  1 
ATOM   767  C CB  . TRP    A  1  100 ? -15.112 -21.093 11.803  1.00 90.74 100 A  1 
ATOM   768  C CG  . TRP    A  1  100 ? -16.068 -20.459 12.744  1.00 89.82 100 A  1 
ATOM   769  C CD1 . TRP    A  1  100 ? -16.949 -21.087 13.572  1.00 83.08 100 A  1 
ATOM   770  C CD2 . TRP    A  1  100 ? -16.308 -19.062 12.886  1.00 87.21 100 A  1 
ATOM   771  N NE1 . TRP    A  1  100 ? -17.715 -20.165 14.232  1.00 84.49 100 A  1 
ATOM   772  C CE2 . TRP    A  1  100 ? -17.345 -18.909 13.827  1.00 85.54 100 A  1 
ATOM   773  C CE3 . TRP    A  1  100 ? -15.749 -17.918 12.313  1.00 83.72 100 A  1 
ATOM   774  C CZ2 . TRP    A  1  100 ? -17.831 -17.662 14.206  1.00 85.62 100 A  1 
ATOM   775  C CZ3 . TRP    A  1  100 ? -16.233 -16.683 12.693  1.00 79.03 100 A  1 
ATOM   776  C CH2 . TRP    A  1  100 ? -17.263 -16.564 13.632  1.00 81.22 100 A  1 
ATOM   777  N N   . MET    A  1  101 ? -14.494 -22.584 9.077   1.00 91.62 101 A  1 
ATOM   778  C CA  . MET    A  1  101 ? -13.497 -23.039 8.117   1.00 91.82 101 A  1 
ATOM   779  C C   . MET    A  1  101 ? -13.714 -22.453 6.720   1.00 91.63 101 A  1 
ATOM   780  O O   . MET    A  1  101 ? -12.744 -22.030 6.092   1.00 89.29 101 A  1 
ATOM   781  C CB  . MET    A  1  101 ? -13.432 -24.560 8.072   1.00 91.03 101 A  1 
ATOM   782  C CG  . MET    A  1  101 ? -12.824 -25.173 9.327   1.00 85.65 101 A  1 
ATOM   783  S SD  . MET    A  1  101 ? -11.199 -24.511 9.750   1.00 85.01 101 A  1 
ATOM   784  C CE  . MET    A  1  101 ? -10.258 -24.920 8.291   1.00 76.95 101 A  1 
ATOM   785  N N   . PRO    A  1  102 ? -14.949 -22.407 6.233   1.00 91.12 102 A  1 
ATOM   786  C CA  . PRO    A  1  102 ? -15.133 -21.753 4.930   1.00 91.01 102 A  1 
ATOM   787  C C   . PRO    A  1  102 ? -14.710 -20.290 4.945   1.00 91.01 102 A  1 
ATOM   788  O O   . PRO    A  1  102 ? -14.120 -19.807 3.976   1.00 88.68 102 A  1 
ATOM   789  C CB  . PRO    A  1  102 ? -16.635 -21.897 4.680   1.00 89.71 102 A  1 
ATOM   790  C CG  . PRO    A  1  102 ? -17.011 -23.116 5.428   1.00 87.60 102 A  1 
ATOM   791  C CD  . PRO    A  1  102 ? -16.144 -23.127 6.653   1.00 90.53 102 A  1 
ATOM   792  N N   . GLU    A  1  103 ? -14.996 -19.607 6.024   1.00 90.21 103 A  1 
ATOM   793  C CA  . GLU    A  1  103 ? -14.613 -18.204 6.119   1.00 89.84 103 A  1 
ATOM   794  C C   . GLU    A  1  103 ? -13.095 -18.049 6.172   1.00 89.80 103 A  1 
ATOM   795  O O   . GLU    A  1  103 ? -12.524 -17.205 5.477   1.00 87.52 103 A  1 
ATOM   796  C CB  . GLU    A  1  103 ? -15.260 -17.561 7.338   1.00 88.22 103 A  1 
ATOM   797  C CG  . GLU    A  1  103 ? -14.944 -16.085 7.492   1.00 83.49 103 A  1 
ATOM   798  C CD  . GLU    A  1  103 ? -15.785 -15.418 8.561   1.00 82.30 103 A  1 
ATOM   799  O OE1 . GLU    A  1  103 ? -17.023 -15.421 8.430   1.00 76.97 103 A  1 
ATOM   800  O OE2 . GLU    A  1  103 ? -15.210 -14.899 9.531   1.00 77.03 103 A  1 
ATOM   801  N N   . LEU    A  1  104 ? -12.458 -18.853 6.986   1.00 89.98 104 A  1 
ATOM   802  C CA  . LEU    A  1  104 ? -11.007 -18.765 7.091   1.00 89.99 104 A  1 
ATOM   803  C C   . LEU    A  1  104 ? -10.327 -19.178 5.790   1.00 89.36 104 A  1 
ATOM   804  O O   . LEU    A  1  104 ? -9.337  -18.566 5.391   1.00 86.35 104 A  1 
ATOM   805  C CB  . LEU    A  1  104 ? -10.499 -19.621 8.245   1.00 89.10 104 A  1 
ATOM   806  C CG  . LEU    A  1  104 ? -10.951 -19.197 9.641   1.00 87.56 104 A  1 
ATOM   807  C CD1 . LEU    A  1  104 ? -10.434 -20.171 10.679  1.00 80.35 104 A  1 
ATOM   808  C CD2 . LEU    A  1  104 ? -10.490 -17.787 9.963   1.00 80.99 104 A  1 
ATOM   809  N N   . ARG    A  1  105 ? -10.859 -20.194 5.143   1.00 90.59 105 A  1 
ATOM   810  C CA  . ARG    A  1  105 ? -10.282 -20.620 3.869   1.00 89.87 105 A  1 
ATOM   811  C C   . ARG    A  1  105 ? -10.434 -19.541 2.804   1.00 89.94 105 A  1 
ATOM   812  O O   . ARG    A  1  105 ? -9.579  -19.405 1.936   1.00 86.25 105 A  1 
ATOM   813  C CB  . ARG    A  1  105 ? -10.921 -21.923 3.387   1.00 88.31 105 A  1 
ATOM   814  C CG  . ARG    A  1  105 ? -10.441 -23.164 4.123   1.00 81.29 105 A  1 
ATOM   815  C CD  . ARG    A  1  105 ? -10.871 -24.427 3.401   1.00 76.35 105 A  1 
ATOM   816  N NE  . ARG    A  1  105 ? -12.325 -24.623 3.467   1.00 68.31 105 A  1 
ATOM   817  C CZ  . ARG    A  1  105 ? -12.954 -25.364 4.376   1.00 61.89 105 A  1 
ATOM   818  N NH1 . ARG    A  1  105 ? -12.266 -26.002 5.321   1.00 54.31 105 A  1 
ATOM   819  N NH2 . ARG    A  1  105 ? -14.274 -25.477 4.353   1.00 55.31 105 A  1 
ATOM   820  N N   . ARG    A  1  106 ? -11.508 -18.811 2.891   1.00 90.25 106 A  1 
ATOM   821  C CA  . ARG    A  1  106 ? -11.736 -17.765 1.908   1.00 90.03 106 A  1 
ATOM   822  C C   . ARG    A  1  106 ? -10.795 -16.583 2.085   1.00 89.74 106 A  1 
ATOM   823  O O   . ARG    A  1  106 ? -10.249 -16.072 1.108   1.00 86.71 106 A  1 
ATOM   824  C CB  . ARG    A  1  106 ? -13.176 -17.280 1.985   1.00 88.25 106 A  1 
ATOM   825  C CG  . ARG    A  1  106 ? -13.495 -16.185 0.985   1.00 80.63 106 A  1 
ATOM   826  C CD  . ARG    A  1  106 ? -14.942 -15.775 1.063   1.00 78.29 106 A  1 
ATOM   827  N NE  . ARG    A  1  106 ? -15.229 -14.667 0.156   1.00 70.15 106 A  1 
ATOM   828  C CZ  . ARG    A  1  106 ? -16.413 -14.077 0.039   1.00 65.15 106 A  1 
ATOM   829  N NH1 . ARG    A  1  106 ? -17.440 -14.491 0.772   1.00 59.11 106 A  1 
ATOM   830  N NH2 . ARG    A  1  106 ? -16.572 -13.080 -0.804  1.00 57.82 106 A  1 
ATOM   831  N N   . PHE    A  1  107 ? -10.628 -16.155 3.319   1.00 89.24 107 A  1 
ATOM   832  C CA  . PHE    A  1  107 ? -9.870  -14.932 3.567   1.00 88.20 107 A  1 
ATOM   833  C C   . PHE    A  1  107 ? -8.437  -15.136 4.047   1.00 87.69 107 A  1 
ATOM   834  O O   . PHE    A  1  107 ? -7.627  -14.215 3.942   1.00 82.36 107 A  1 
ATOM   835  C CB  . PHE    A  1  107 ? -10.623 -14.063 4.568   1.00 86.50 107 A  1 
ATOM   836  C CG  . PHE    A  1  107 ? -11.950 -13.581 4.064   1.00 85.23 107 A  1 
ATOM   837  C CD1 . PHE    A  1  107 ? -12.020 -12.537 3.156   1.00 77.99 107 A  1 
ATOM   838  C CD2 . PHE    A  1  107 ? -13.128 -14.174 4.486   1.00 77.65 107 A  1 
ATOM   839  C CE1 . PHE    A  1  107 ? -13.242 -12.098 2.680   1.00 75.61 107 A  1 
ATOM   840  C CE2 . PHE    A  1  107 ? -14.354 -13.736 4.010   1.00 74.80 107 A  1 
ATOM   841  C CZ  . PHE    A  1  107 ? -14.409 -12.694 3.106   1.00 76.46 107 A  1 
ATOM   842  N N   . ALA    A  1  108 ? -8.144  -16.298 4.577   1.00 88.73 108 A  1 
ATOM   843  C CA  . ALA    A  1  108 ? -6.798  -16.570 5.076   1.00 88.60 108 A  1 
ATOM   844  C C   . ALA    A  1  108 ? -6.520  -18.071 5.020   1.00 88.86 108 A  1 
ATOM   845  O O   . ALA    A  1  108 ? -6.334  -18.722 6.049   1.00 84.95 108 A  1 
ATOM   846  C CB  . ALA    A  1  108 ? -6.645  -16.044 6.499   1.00 86.71 108 A  1 
ATOM   847  N N   . PRO    A  1  109 ? -6.498  -18.629 3.823   1.00 88.71 109 A  1 
ATOM   848  C CA  . PRO    A  1  109 ? -6.431  -20.086 3.668   1.00 87.48 109 A  1 
ATOM   849  C C   . PRO    A  1  109 ? -5.157  -20.766 4.149   1.00 86.66 109 A  1 
ATOM   850  O O   . PRO    A  1  109 ? -5.185  -21.966 4.426   1.00 80.22 109 A  1 
ATOM   851  C CB  . PRO    A  1  109 ? -6.596  -20.278 2.158   1.00 85.39 109 A  1 
ATOM   852  C CG  . PRO    A  1  109 ? -6.114  -19.006 1.566   1.00 82.59 109 A  1 
ATOM   853  C CD  . PRO    A  1  109 ? -6.522  -17.939 2.527   1.00 85.87 109 A  1 
ATOM   854  N N   . ASN    A  1  110 ? -4.078  -20.038 4.236   1.00 88.01 110 A  1 
ATOM   855  C CA  . ASN    A  1  110 ? -2.810  -20.672 4.576   1.00 87.68 110 A  1 
ATOM   856  C C   . ASN    A  1  110 ? -2.276  -20.315 5.960   1.00 88.04 110 A  1 
ATOM   857  O O   . ASN    A  1  110 ? -1.108  -20.550 6.250   1.00 83.61 110 A  1 
ATOM   858  C CB  . ASN    A  1  110 ? -1.775  -20.343 3.507   1.00 84.71 110 A  1 
ATOM   859  C CG  . ASN    A  1  110 ? -2.195  -20.834 2.139   1.00 79.17 110 A  1 
ATOM   860  O OD1 . ASN    A  1  110 ? -2.474  -20.051 1.242   1.00 69.18 110 A  1 
ATOM   861  N ND2 . ASN    A  1  110 ? -2.265  -22.141 1.984   1.00 69.09 110 A  1 
ATOM   862  N N   . VAL    A  1  111 ? -3.132  -19.765 6.774   1.00 89.36 111 A  1 
ATOM   863  C CA  . VAL    A  1  111 ? -2.732  -19.427 8.135   1.00 89.99 111 A  1 
ATOM   864  C C   . VAL    A  1  111 ? -3.065  -20.612 9.038   1.00 90.52 111 A  1 
ATOM   865  O O   . VAL    A  1  111 ? -4.178  -21.128 8.984   1.00 88.19 111 A  1 
ATOM   866  C CB  . VAL    A  1  111 ? -3.462  -18.161 8.609   1.00 88.80 111 A  1 
ATOM   867  C CG1 . VAL    A  1  111 ? -3.136  -17.860 10.061  1.00 80.98 111 A  1 
ATOM   868  C CG2 . VAL    A  1  111 ? -3.087  -16.987 7.722   1.00 81.51 111 A  1 
ATOM   869  N N   . PRO    A  1  112 ? -2.120  -21.044 9.852   1.00 90.62 112 A  1 
ATOM   870  C CA  . PRO    A  1  112 ? -2.394  -22.196 10.716  1.00 91.06 112 A  1 
ATOM   871  C C   . PRO    A  1  112 ? -3.460  -21.895 11.763  1.00 91.75 112 A  1 
ATOM   872  O O   . PRO    A  1  112 ? -3.720  -20.742 12.097  1.00 89.28 112 A  1 
ATOM   873  C CB  . PRO    A  1  112 ? -1.039  -22.482 11.366  1.00 88.99 112 A  1 
ATOM   874  C CG  . PRO    A  1  112 ? -0.299  -21.204 11.280  1.00 85.55 112 A  1 
ATOM   875  C CD  . PRO    A  1  112 ? -0.746  -20.552 10.014  1.00 88.26 112 A  1 
ATOM   876  N N   . ILE    A  1  113 ? -4.046  -22.959 12.262  1.00 90.80 113 A  1 
ATOM   877  C CA  . ILE    A  1  113 ? -5.151  -22.857 13.206  1.00 91.58 113 A  1 
ATOM   878  C C   . ILE    A  1  113 ? -4.875  -23.701 14.436  1.00 91.85 113 A  1 
ATOM   879  O O   . ILE    A  1  113 ? -4.406  -24.834 14.326  1.00 89.49 113 A  1 
ATOM   880  C CB  . ILE    A  1  113 ? -6.466  -23.333 12.559  1.00 90.27 113 A  1 
ATOM   881  C CG1 . ILE    A  1  113 ? -6.826  -22.460 11.356  1.00 82.83 113 A  1 
ATOM   882  C CG2 . ILE    A  1  113 ? -7.598  -23.348 13.576  1.00 82.27 113 A  1 
ATOM   883  C CD1 . ILE    A  1  113 ? -7.891  -23.057 10.467  1.00 79.29 113 A  1 
ATOM   884  N N   . VAL    A  1  114 ? -5.179  -23.138 15.582  1.00 91.94 114 A  1 
ATOM   885  C CA  . VAL    A  1  114 ? -5.188  -23.894 16.828  1.00 92.37 114 A  1 
ATOM   886  C C   . VAL    A  1  114 ? -6.646  -24.004 17.240  1.00 92.44 114 A  1 
ATOM   887  O O   . VAL    A  1  114 ? -7.302  -22.993 17.497  1.00 90.34 114 A  1 
ATOM   888  C CB  . VAL    A  1  114 ? -4.369  -23.201 17.929  1.00 91.41 114 A  1 
ATOM   889  C CG1 . VAL    A  1  114 ? -4.583  -23.898 19.267  1.00 82.01 114 A  1 
ATOM   890  C CG2 . VAL    A  1  114 ? -2.894  -23.210 17.570  1.00 82.13 114 A  1 
ATOM   891  N N   . LEU    A  1  115 ? -7.136  -25.220 17.282  1.00 91.98 115 A  1 
ATOM   892  C CA  . LEU    A  1  115 ? -8.520  -25.458 17.664  1.00 92.60 115 A  1 
ATOM   893  C C   . LEU    A  1  115 ? -8.611  -25.513 19.183  1.00 92.69 115 A  1 
ATOM   894  O O   . LEU    A  1  115 ? -7.825  -26.199 19.835  1.00 90.59 115 A  1 
ATOM   895  C CB  . LEU    A  1  115 ? -9.004  -26.772 17.057  1.00 91.85 115 A  1 
ATOM   896  C CG  . LEU    A  1  115 ? -10.463 -27.151 17.302  1.00 90.10 115 A  1 
ATOM   897  C CD1 . LEU    A  1  115 ? -11.397 -26.167 16.623  1.00 82.29 115 A  1 
ATOM   898  C CD2 . LEU    A  1  115 ? -10.720 -28.560 16.788  1.00 83.02 115 A  1 
ATOM   899  N N   . VAL    A  1  116 ? -9.570  -24.791 19.725  1.00 92.35 116 A  1 
ATOM   900  C CA  . VAL    A  1  116 ? -9.709  -24.714 21.178  1.00 92.43 116 A  1 
ATOM   901  C C   . VAL    A  1  116 ? -11.131 -25.028 21.603  1.00 92.14 116 A  1 
ATOM   902  O O   . VAL    A  1  116 ? -12.086 -24.449 21.086  1.00 89.65 116 A  1 
ATOM   903  C CB  . VAL    A  1  116 ? -9.322  -23.320 21.698  1.00 91.04 116 A  1 
ATOM   904  C CG1 . VAL    A  1  116 ? -9.541  -23.230 23.199  1.00 80.35 116 A  1 
ATOM   905  C CG2 . VAL    A  1  116 ? -7.877  -23.010 21.357  1.00 81.29 116 A  1 
ATOM   906  N N   . GLY    A  1  117 ? -11.251 -25.929 22.557  1.00 92.20 117 A  1 
ATOM   907  C CA  . GLY    A  1  117 ? -12.540 -26.227 23.153  1.00 92.05 117 A  1 
ATOM   908  C C   . GLY    A  1  117 ? -12.618 -25.503 24.481  1.00 92.18 117 A  1 
ATOM   909  O O   . GLY    A  1  117 ? -11.807 -25.751 25.366  1.00 89.43 117 A  1 
ATOM   910  N N   . THR    A  1  118 ? -13.587 -24.620 24.604  1.00 91.24 118 A  1 
ATOM   911  C CA  . THR    A  1  118 ? -13.708 -23.814 25.816  1.00 90.67 118 A  1 
ATOM   912  C C   . THR    A  1  118 ? -14.728 -24.392 26.792  1.00 90.25 118 A  1 
ATOM   913  O O   . THR    A  1  118 ? -15.438 -25.348 26.482  1.00 86.97 118 A  1 
ATOM   914  C CB  . THR    A  1  118 ? -14.102 -22.374 25.466  1.00 89.11 118 A  1 
ATOM   915  O OG1 . THR    A  1  118 ? -15.394 -22.380 24.854  1.00 78.66 118 A  1 
ATOM   916  C CG2 . THR    A  1  118 ? -13.095 -21.742 24.524  1.00 78.20 118 A  1 
ATOM   917  N N   . LYS    A  1  119 ? -14.777 -23.791 27.956  1.00 88.93 119 A  1 
ATOM   918  C CA  . LYS    A  1  119 ? -15.708 -24.179 29.014  1.00 88.65 119 A  1 
ATOM   919  C C   . LYS    A  1  119 ? -15.473 -25.612 29.495  1.00 88.92 119 A  1 
ATOM   920  O O   . LYS    A  1  119 ? -16.412 -26.363 29.774  1.00 84.24 119 A  1 
ATOM   921  C CB  . LYS    A  1  119 ? -17.158 -23.978 28.567  1.00 86.17 119 A  1 
ATOM   922  C CG  . LYS    A  1  119 ? -17.458 -22.545 28.146  1.00 84.94 119 A  1 
ATOM   923  C CD  . LYS    A  1  119 ? -18.923 -22.329 27.831  1.00 80.26 119 A  1 
ATOM   924  C CE  . LYS    A  1  119 ? -19.170 -20.899 27.379  1.00 77.98 119 A  1 
ATOM   925  N NZ  . LYS    A  1  119 ? -20.587 -20.664 27.018  1.00 69.93 119 A  1 
ATOM   926  N N   . LEU    A  1  120 ? -14.229 -25.957 29.583  1.00 90.29 120 A  1 
ATOM   927  C CA  . LEU    A  1  120 ? -13.853 -27.281 30.064  1.00 90.63 120 A  1 
ATOM   928  C C   . LEU    A  1  120 ? -14.400 -27.542 31.461  1.00 90.02 120 A  1 
ATOM   929  O O   . LEU    A  1  120 ? -14.755 -28.673 31.790  1.00 86.77 120 A  1 
ATOM   930  C CB  . LEU    A  1  120 ? -12.330 -27.417 30.062  1.00 89.79 120 A  1 
ATOM   931  C CG  . LEU    A  1  120 ? -11.732 -28.718 30.590  1.00 88.01 120 A  1 
ATOM   932  C CD1 . LEU    A  1  120 ? -12.226 -29.904 29.782  1.00 79.59 120 A  1 
ATOM   933  C CD2 . LEU    A  1  120 ? -10.214 -28.645 30.547  1.00 80.17 120 A  1 
ATOM   934  N N   . ASP    A  1  121 ? -14.476 -26.520 32.259  1.00 89.68 121 A  1 
ATOM   935  C CA  . ASP    A  1  121 ? -14.978 -26.652 33.619  1.00 87.94 121 A  1 
ATOM   936  C C   . ASP    A  1  121 ? -16.412 -27.170 33.649  1.00 87.82 121 A  1 
ATOM   937  O O   . ASP    A  1  121 ? -16.764 -27.969 34.515  1.00 83.03 121 A  1 
ATOM   938  C CB  . ASP    A  1  121 ? -14.886 -25.313 34.360  1.00 85.59 121 A  1 
ATOM   939  C CG  . ASP    A  1  121 ? -15.659 -24.208 33.666  1.00 80.67 121 A  1 
ATOM   940  O OD1 . ASP    A  1  121 ? -15.390 -23.932 32.485  1.00 72.49 121 A  1 
ATOM   941  O OD2 . ASP    A  1  121 ? -16.539 -23.606 34.313  1.00 74.05 121 A  1 
ATOM   942  N N   . LEU    A  1  122 ? -17.226 -26.735 32.706  1.00 87.64 122 A  1 
ATOM   943  C CA  . LEU    A  1  122 ? -18.611 -27.186 32.676  1.00 87.00 122 A  1 
ATOM   944  C C   . LEU    A  1  122 ? -18.729 -28.616 32.161  1.00 86.40 122 A  1 
ATOM   945  O O   . LEU    A  1  122 ? -19.547 -29.388 32.659  1.00 81.86 122 A  1 
ATOM   946  C CB  . LEU    A  1  122 ? -19.463 -26.242 31.835  1.00 85.20 122 A  1 
ATOM   947  C CG  . LEU    A  1  122 ? -19.641 -24.829 32.398  1.00 81.88 122 A  1 
ATOM   948  C CD1 . LEU    A  1  122 ? -20.443 -23.973 31.436  1.00 75.59 122 A  1 
ATOM   949  C CD2 . LEU    A  1  122 ? -20.318 -24.866 33.759  1.00 75.49 122 A  1 
ATOM   950  N N   . ARG    A  1  123 ? -17.934 -28.950 31.166  1.00 85.63 123 A  1 
ATOM   951  C CA  . ARG    A  1  123 ? -17.980 -30.322 30.664  1.00 85.64 123 A  1 
ATOM   952  C C   . ARG    A  1  123 ? -17.517 -31.307 31.735  1.00 84.82 123 A  1 
ATOM   953  O O   . ARG    A  1  123 ? -18.051 -32.408 31.840  1.00 80.74 123 A  1 
ATOM   954  C CB  . ARG    A  1  123 ? -17.114 -30.488 29.415  1.00 84.38 123 A  1 
ATOM   955  C CG  . ARG    A  1  123 ? -17.332 -31.836 28.737  1.00 81.47 123 A  1 
ATOM   956  C CD  . ARG    A  1  123 ? -16.285 -32.128 27.684  1.00 81.72 123 A  1 
ATOM   957  N NE  . ARG    A  1  123 ? -14.976 -32.329 28.277  1.00 80.96 123 A  1 
ATOM   958  C CZ  . ARG    A  1  123 ? -13.852 -32.480 27.585  1.00 83.75 123 A  1 
ATOM   959  N NH1 . ARG    A  1  123 ? -13.877 -32.453 26.254  1.00 73.95 123 A  1 
ATOM   960  N NH2 . ARG    A  1  123 ? -12.699 -32.655 28.209  1.00 77.27 123 A  1 
ATOM   961  N N   . ASP    A  1  124 ? -16.541 -30.910 32.509  1.00 84.01 124 A  1 
ATOM   962  C CA  . ASP    A  1  124 ? -16.014 -31.784 33.552  1.00 82.47 124 A  1 
ATOM   963  C C   . ASP    A  1  124 ? -16.857 -31.775 34.824  1.00 81.79 124 A  1 
ATOM   964  O O   . ASP    A  1  124 ? -16.594 -32.558 35.737  1.00 76.26 124 A  1 
ATOM   965  C CB  . ASP    A  1  124 ? -14.573 -31.390 33.885  1.00 79.59 124 A  1 
ATOM   966  C CG  . ASP    A  1  124 ? -13.601 -31.728 32.770  1.00 76.44 124 A  1 
ATOM   967  O OD1 . ASP    A  1  124 ? -13.995 -32.427 31.817  1.00 69.53 124 A  1 
ATOM   968  O OD2 . ASP    A  1  124 ? -12.433 -31.302 32.857  1.00 70.98 124 A  1 
ATOM   969  N N   . ASP    A  1  125 ? -17.857 -30.913 34.869  1.00 83.56 125 A  1 
ATOM   970  C CA  . ASP    A  1  125 ? -18.741 -30.848 36.027  1.00 82.33 125 A  1 
ATOM   971  C C   . ASP    A  1  125 ? -19.803 -31.938 35.901  1.00 81.75 125 A  1 
ATOM   972  O O   . ASP    A  1  125 ? -20.684 -31.862 35.047  1.00 76.96 125 A  1 
ATOM   973  C CB  . ASP    A  1  125 ? -19.385 -29.465 36.117  1.00 78.65 125 A  1 
ATOM   974  C CG  . ASP    A  1  125 ? -20.243 -29.287 37.359  1.00 73.35 125 A  1 
ATOM   975  O OD1 . ASP    A  1  125 ? -20.460 -30.266 38.095  1.00 66.17 125 A  1 
ATOM   976  O OD2 . ASP    A  1  125 ? -20.704 -28.154 37.599  1.00 65.92 125 A  1 
ATOM   977  N N   . LYS    A  1  126 ? -19.725 -32.927 36.747  1.00 81.05 126 A  1 
ATOM   978  C CA  . LYS    A  1  126 ? -20.671 -34.039 36.691  1.00 79.54 126 A  1 
ATOM   979  C C   . LYS    A  1  126 ? -22.098 -33.586 36.960  1.00 79.70 126 A  1 
ATOM   980  O O   . LYS    A  1  126 ? -23.043 -34.159 36.414  1.00 72.86 126 A  1 
ATOM   981  C CB  . LYS    A  1  126 ? -20.249 -35.125 37.679  1.00 75.35 126 A  1 
ATOM   982  C CG  . LYS    A  1  126 ? -18.939 -35.787 37.289  1.00 68.21 126 A  1 
ATOM   983  C CD  . LYS    A  1  126 ? -18.526 -36.864 38.257  1.00 58.71 126 A  1 
ATOM   984  C CE  . LYS    A  1  126 ? -17.210 -37.491 37.832  1.00 50.91 126 A  1 
ATOM   985  N NZ  . LYS    A  1  126 ? -16.748 -38.532 38.780  1.00 42.70 126 A  1 
ATOM   986  N N   . GLY    A  1  127 ? -22.251 -32.580 37.771  1.00 79.63 127 A  1 
ATOM   987  C CA  . GLY    A  1  127 ? -23.575 -32.039 38.029  1.00 78.20 127 A  1 
ATOM   988  C C   . GLY    A  1  127 ? -24.162 -31.426 36.776  1.00 78.94 127 A  1 
ATOM   989  O O   . GLY    A  1  127 ? -25.356 -31.562 36.505  1.00 73.69 127 A  1 
ATOM   990  N N   . TYR    A  1  128 ? -23.328 -30.775 36.016  1.00 77.09 128 A  1 
ATOM   991  C CA  . TYR    A  1  128 ? -23.774 -30.177 34.764  1.00 76.51 128 A  1 
ATOM   992  C C   . TYR    A  1  128 ? -24.116 -31.263 33.746  1.00 76.05 128 A  1 
ATOM   993  O O   . TYR    A  1  128 ? -25.122 -31.169 33.037  1.00 71.58 128 A  1 
ATOM   994  C CB  . TYR    A  1  128 ? -22.695 -29.248 34.209  1.00 72.84 128 A  1 
ATOM   995  C CG  . TYR    A  1  128 ? -23.119 -28.525 32.953  1.00 70.46 128 A  1 
ATOM   996  C CD1 . TYR    A  1  128 ? -23.828 -27.333 33.023  1.00 65.24 128 A  1 
ATOM   997  C CD2 . TYR    A  1  128 ? -22.820 -29.036 31.700  1.00 65.00 128 A  1 
ATOM   998  C CE1 . TYR    A  1  128 ? -24.229 -26.671 31.875  1.00 62.25 128 A  1 
ATOM   999  C CE2 . TYR    A  1  128 ? -23.223 -28.384 30.544  1.00 61.24 128 A  1 
ATOM   1000 C CZ  . TYR    A  1  128 ? -23.924 -27.201 30.639  1.00 62.52 128 A  1 
ATOM   1001 O OH  . TYR    A  1  128 ? -24.326 -26.549 29.498  1.00 60.51 128 A  1 
ATOM   1002 N N   . LEU    A  1  129 ? -23.289 -32.276 33.680  1.00 79.06 129 A  1 
ATOM   1003 C CA  . LEU    A  1  129 ? -23.519 -33.378 32.746  1.00 77.99 129 A  1 
ATOM   1004 C C   . LEU    A  1  129 ? -24.816 -34.118 33.029  1.00 77.63 129 A  1 
ATOM   1005 O O   . LEU    A  1  129 ? -25.414 -34.691 32.119  1.00 73.90 129 A  1 
ATOM   1006 C CB  . LEU    A  1  129 ? -22.355 -34.366 32.795  1.00 74.18 129 A  1 
ATOM   1007 C CG  . LEU    A  1  129 ? -21.052 -33.914 32.149  1.00 67.72 129 A  1 
ATOM   1008 C CD1 . LEU    A  1  129 ? -19.954 -34.909 32.448  1.00 61.87 129 A  1 
ATOM   1009 C CD2 . LEU    A  1  129 ? -21.228 -33.758 30.650  1.00 62.51 129 A  1 
ATOM   1010 N N   . ALA    A  1  130 ? -25.231 -34.104 34.251  1.00 78.03 130 A  1 
ATOM   1011 C CA  . ALA    A  1  130 ? -26.469 -34.787 34.610  1.00 76.93 130 A  1 
ATOM   1012 C C   . ALA    A  1  130 ? -27.667 -34.177 33.889  1.00 76.77 130 A  1 
ATOM   1013 O O   . ALA    A  1  130 ? -28.600 -34.891 33.521  1.00 71.84 130 A  1 
ATOM   1014 C CB  . ALA    A  1  130 ? -26.678 -34.730 36.114  1.00 74.38 130 A  1 
ATOM   1015 N N   . ASP    A  1  131 ? -27.633 -32.878 33.675  1.00 79.82 131 A  1 
ATOM   1016 C CA  . ASP    A  1  131 ? -28.740 -32.173 33.036  1.00 77.95 131 A  1 
ATOM   1017 C C   . ASP    A  1  131 ? -28.490 -31.858 31.567  1.00 77.04 131 A  1 
ATOM   1018 O O   . ASP    A  1  131 ? -29.419 -31.457 30.864  1.00 71.22 131 A  1 
ATOM   1019 C CB  . ASP    A  1  131 ? -29.033 -30.875 33.784  1.00 74.06 131 A  1 
ATOM   1020 C CG  . ASP    A  1  131 ? -29.492 -31.111 35.206  1.00 67.85 131 A  1 
ATOM   1021 O OD1 . ASP    A  1  131 ? -30.033 -32.197 35.485  1.00 60.88 131 A  1 
ATOM   1022 O OD2 . ASP    A  1  131 ? -29.313 -30.205 36.040  1.00 61.18 131 A  1 
ATOM   1023 N N   . HIS    A  1  132 ? -27.273 -32.025 31.110  1.00 77.53 132 A  1 
ATOM   1024 C CA  . HIS    A  1  132 ? -26.927 -31.669 29.739  1.00 76.36 132 A  1 
ATOM   1025 C C   . HIS    A  1  132 ? -26.079 -32.764 29.103  1.00 76.26 132 A  1 
ATOM   1026 O O   . HIS    A  1  132 ? -25.014 -33.104 29.614  1.00 71.38 132 A  1 
ATOM   1027 C CB  . HIS    A  1  132 ? -26.169 -30.348 29.711  1.00 72.70 132 A  1 
ATOM   1028 C CG  . HIS    A  1  132 ? -26.896 -29.222 30.377  1.00 69.76 132 A  1 
ATOM   1029 N ND1 . HIS    A  1  132 ? -26.845 -29.002 31.731  1.00 60.24 132 A  1 
ATOM   1030 C CD2 . HIS    A  1  132 ? -27.700 -28.267 29.868  1.00 61.05 132 A  1 
ATOM   1031 C CE1 . HIS    A  1  132 ? -27.592 -27.951 32.028  1.00 60.17 132 A  1 
ATOM   1032 N NE2 . HIS    A  1  132 ? -28.117 -27.485 30.920  1.00 58.99 132 A  1 
ATOM   1033 N N   . THR    A  1  133 ? -26.554 -33.272 27.985  1.00 79.95 133 A  1 
ATOM   1034 C CA  . THR    A  1  133 ? -25.870 -34.370 27.310  1.00 77.59 133 A  1 
ATOM   1035 C C   . THR    A  1  133 ? -25.120 -33.955 26.050  1.00 78.11 133 A  1 
ATOM   1036 O O   . THR    A  1  133 ? -24.256 -34.699 25.580  1.00 71.77 133 A  1 
ATOM   1037 C CB  . THR    A  1  133 ? -26.866 -35.471 26.937  1.00 72.59 133 A  1 
ATOM   1038 O OG1 . THR    A  1  133 ? -27.890 -34.919 26.102  1.00 63.99 133 A  1 
ATOM   1039 C CG2 . THR    A  1  133 ? -27.499 -36.065 28.184  1.00 61.15 133 A  1 
ATOM   1040 N N   . ASN    A  1  134 ? -25.445 -32.799 25.498  1.00 81.95 134 A  1 
ATOM   1041 C CA  . ASN    A  1  134 ? -24.811 -32.355 24.258  1.00 81.99 134 A  1 
ATOM   1042 C C   . ASN    A  1  134 ? -23.460 -31.695 24.524  1.00 83.91 134 A  1 
ATOM   1043 O O   . ASN    A  1  134 ? -23.287 -30.495 24.335  1.00 79.47 134 A  1 
ATOM   1044 C CB  . ASN    A  1  134 ? -25.725 -31.398 23.502  1.00 76.57 134 A  1 
ATOM   1045 C CG  . ASN    A  1  134 ? -26.941 -32.087 22.933  1.00 69.78 134 A  1 
ATOM   1046 O OD1 . ASN    A  1  134 ? -26.929 -33.293 22.686  1.00 61.10 134 A  1 
ATOM   1047 N ND2 . ASN    A  1  134 ? -28.004 -31.325 22.719  1.00 62.06 134 A  1 
ATOM   1048 N N   . VAL    A  1  135 ? -22.528 -32.502 24.942  1.00 86.33 135 A  1 
ATOM   1049 C CA  . VAL    A  1  135 ? -21.180 -32.010 25.193  1.00 86.96 135 A  1 
ATOM   1050 C C   . VAL    A  1  135 ? -20.216 -32.692 24.232  1.00 87.90 135 A  1 
ATOM   1051 O O   . VAL    A  1  135 ? -20.503 -33.765 23.700  1.00 84.91 135 A  1 
ATOM   1052 C CB  . VAL    A  1  135 ? -20.736 -32.257 26.646  1.00 84.40 135 A  1 
ATOM   1053 C CG1 . VAL    A  1  135 ? -21.680 -31.553 27.606  1.00 74.33 135 A  1 
ATOM   1054 C CG2 . VAL    A  1  135 ? -20.666 -33.744 26.952  1.00 75.05 135 A  1 
ATOM   1055 N N   . ILE    A  1  136 ? -19.097 -32.048 24.017  1.00 89.37 136 A  1 
ATOM   1056 C CA  . ILE    A  1  136 ? -18.102 -32.549 23.079  1.00 90.21 136 A  1 
ATOM   1057 C C   . ILE    A  1  136 ? -16.972 -33.219 23.845  1.00 90.40 136 A  1 
ATOM   1058 O O   . ILE    A  1  136 ? -16.381 -32.617 24.740  1.00 87.78 136 A  1 
ATOM   1059 C CB  . ILE    A  1  136 ? -17.540 -31.409 22.215  1.00 89.22 136 A  1 
ATOM   1060 C CG1 . ILE    A  1  136 ? -18.680 -30.619 21.556  1.00 83.78 136 A  1 
ATOM   1061 C CG2 . ILE    A  1  136 ? -16.576 -31.953 21.171  1.00 81.73 136 A  1 
ATOM   1062 C CD1 . ILE    A  1  136 ? -19.588 -31.435 20.676  1.00 75.51 136 A  1 
ATOM   1063 N N   . THR    A  1  137 ? -16.679 -34.444 23.469  1.00 89.70 137 A  1 
ATOM   1064 C CA  . THR    A  1  137 ? -15.596 -35.166 24.123  1.00 89.38 137 A  1 
ATOM   1065 C C   . THR    A  1  137 ? -14.253 -34.738 23.547  1.00 90.04 137 A  1 
ATOM   1066 O O   . THR    A  1  137 ? -14.180 -34.143 22.472  1.00 87.57 137 A  1 
ATOM   1067 C CB  . THR    A  1  137 ? -15.743 -36.676 23.934  1.00 87.25 137 A  1 
ATOM   1068 O OG1 . THR    A  1  137 ? -15.599 -36.992 22.551  1.00 77.74 137 A  1 
ATOM   1069 C CG2 . THR    A  1  137 ? -17.089 -37.164 24.439  1.00 74.88 137 A  1 
ATOM   1070 N N   . SER    A  1  138 ? -13.209 -35.084 24.251  1.00 90.56 138 A  1 
ATOM   1071 C CA  . SER    A  1  138 ? -11.864 -34.791 23.765  1.00 90.88 138 A  1 
ATOM   1072 C C   . SER    A  1  138 ? -11.599 -35.518 22.453  1.00 91.45 138 A  1 
ATOM   1073 O O   . SER    A  1  138 ? -10.915 -34.994 21.574  1.00 88.43 138 A  1 
ATOM   1074 C CB  . SER    A  1  138 ? -10.823 -35.190 24.801  1.00 89.16 138 A  1 
ATOM   1075 O OG  . SER    A  1  138 ? -10.984 -34.438 25.989  1.00 79.41 138 A  1 
ATOM   1076 N N   . THR    A  1  139 ? -12.150 -36.707 22.329  1.00 92.86 139 A  1 
ATOM   1077 C CA  . THR    A  1  139 ? -11.989 -37.479 21.101  1.00 92.88 139 A  1 
ATOM   1078 C C   . THR    A  1  139 ? -12.650 -36.767 19.924  1.00 93.00 139 A  1 
ATOM   1079 O O   . THR    A  1  139 ? -12.088 -36.703 18.830  1.00 90.31 139 A  1 
ATOM   1080 C CB  . THR    A  1  139 ? -12.580 -38.881 21.264  1.00 91.55 139 A  1 
ATOM   1081 O OG1 . THR    A  1  139 ? -11.939 -39.539 22.361  1.00 79.48 139 A  1 
ATOM   1082 C CG2 . THR    A  1  139 ? -12.381 -39.700 20.002  1.00 74.50 139 A  1 
ATOM   1083 N N   . GLN    A  1  140 ? -13.827 -36.237 20.157  1.00 92.35 140 A  1 
ATOM   1084 C CA  . GLN    A  1  140 ? -14.524 -35.500 19.106  1.00 92.13 140 A  1 
ATOM   1085 C C   . GLN    A  1  140 ? -13.755 -34.244 18.720  1.00 92.61 140 A  1 
ATOM   1086 O O   . GLN    A  1  140 ? -13.692 -33.884 17.543  1.00 90.44 140 A  1 
ATOM   1087 C CB  . GLN    A  1  140 ? -15.935 -35.133 19.566  1.00 90.69 140 A  1 
ATOM   1088 C CG  . GLN    A  1  140 ? -16.882 -36.313 19.629  1.00 86.98 140 A  1 
ATOM   1089 C CD  . GLN    A  1  140 ? -18.232 -35.937 20.198  1.00 84.75 140 A  1 
ATOM   1090 O OE1 . GLN    A  1  140 ? -18.314 -35.348 21.273  1.00 76.02 140 A  1 
ATOM   1091 N NE2 . GLN    A  1  140 ? -19.295 -36.273 19.488  1.00 74.18 140 A  1 
ATOM   1092 N N   . GLY    A  1  141 ? -13.192 -33.598 19.708  1.00 91.53 141 A  1 
ATOM   1093 C CA  . GLY    A  1  141 ? -12.396 -32.412 19.433  1.00 91.54 141 A  1 
ATOM   1094 C C   . GLY    A  1  141 ? -11.169 -32.746 18.610  1.00 92.46 141 A  1 
ATOM   1095 O O   . GLY    A  1  141 ? -10.825 -32.029 17.667  1.00 90.24 141 A  1 
ATOM   1096 N N   . GLU    A  1  142 ? -10.533 -33.830 18.952  1.00 93.25 142 A  1 
ATOM   1097 C CA  . GLU    A  1  142 ? -9.346  -34.256 18.210  1.00 93.41 142 A  1 
ATOM   1098 C C   . GLU    A  1  142 ? -9.713  -34.660 16.786  1.00 93.82 142 A  1 
ATOM   1099 O O   . GLU    A  1  142 ? -8.968  -34.382 15.841  1.00 91.55 142 A  1 
ATOM   1100 C CB  . GLU    A  1  142 ? -8.662  -35.412 18.941  1.00 91.85 142 A  1 
ATOM   1101 C CG  . GLU    A  1  142 ? -7.446  -35.993 18.233  1.00 80.98 142 A  1 
ATOM   1102 C CD  . GLU    A  1  142 ? -6.320  -34.993 18.039  1.00 80.47 142 A  1 
ATOM   1103 O OE1 . GLU    A  1  142 ? -6.307  -33.947 18.719  1.00 73.95 142 A  1 
ATOM   1104 O OE2 . GLU    A  1  142 ? -5.439  -35.262 17.200  1.00 73.65 142 A  1 
ATOM   1105 N N   . GLU    A  1  143 ? -10.857 -35.305 16.634  1.00 93.97 143 A  1 
ATOM   1106 C CA  . GLU    A  1  143 ? -11.308 -35.682 15.297  1.00 93.83 143 A  1 
ATOM   1107 C C   . GLU    A  1  143 ? -11.554 -34.437 14.454  1.00 94.00 143 A  1 
ATOM   1108 O O   . GLU    A  1  143 ? -11.209 -34.401 13.269  1.00 91.38 143 A  1 
ATOM   1109 C CB  . GLU    A  1  143 ? -12.579 -36.527 15.383  1.00 92.60 143 A  1 
ATOM   1110 C CG  . GLU    A  1  143 ? -13.097 -37.019 14.038  1.00 80.07 143 A  1 
ATOM   1111 C CD  . GLU    A  1  143 ? -12.121 -37.937 13.331  1.00 72.91 143 A  1 
ATOM   1112 O OE1 . GLU    A  1  143 ? -11.255 -38.531 14.008  1.00 64.32 143 A  1 
ATOM   1113 O OE2 . GLU    A  1  143 ? -12.216 -38.065 12.095  1.00 64.65 143 A  1 
ATOM   1114 N N   . LEU    A  1  144 ? -12.135 -33.440 15.069  1.00 92.67 144 A  1 
ATOM   1115 C CA  . LEU    A  1  144 ? -12.375 -32.190 14.357  1.00 92.79 144 A  1 
ATOM   1116 C C   . LEU    A  1  144 ? -11.054 -31.536 13.972  1.00 92.95 144 A  1 
ATOM   1117 O O   . LEU    A  1  144 ? -10.923 -30.999 12.870  1.00 90.73 144 A  1 
ATOM   1118 C CB  . LEU    A  1  144 ? -13.212 -31.246 15.216  1.00 91.68 144 A  1 
ATOM   1119 C CG  . LEU    A  1  144 ? -13.583 -29.899 14.589  1.00 89.25 144 A  1 
ATOM   1120 C CD1 . LEU    A  1  144 ? -14.364 -30.091 13.304  1.00 80.53 144 A  1 
ATOM   1121 C CD2 . LEU    A  1  144 ? -14.391 -29.077 15.580  1.00 81.65 144 A  1 
ATOM   1122 N N   . ARG    A  1  145 ? -10.095 -31.588 14.873  1.00 93.03 145 A  1 
ATOM   1123 C CA  . ARG    A  1  145 ? -8.776  -31.033 14.574  1.00 93.24 145 A  1 
ATOM   1124 C C   . ARG    A  1  145 ? -8.197  -31.672 13.317  1.00 92.82 145 A  1 
ATOM   1125 O O   . ARG    A  1  145 ? -7.689  -30.978 12.435  1.00 90.77 145 A  1 
ATOM   1126 C CB  . ARG    A  1  145 ? -7.812  -31.251 15.734  1.00 92.42 145 A  1 
ATOM   1127 C CG  . ARG    A  1  145 ? -6.439  -30.654 15.473  1.00 88.19 145 A  1 
ATOM   1128 C CD  . ARG    A  1  145 ? -5.359  -31.224 16.360  1.00 87.10 145 A  1 
ATOM   1129 N NE  . ARG    A  1  145 ? -5.110  -32.633 16.096  1.00 83.14 145 A  1 
ATOM   1130 C CZ  . ARG    A  1  145 ? -4.435  -33.109 15.048  1.00 81.35 145 A  1 
ATOM   1131 N NH1 . ARG    A  1  145 ? -3.926  -32.282 14.143  1.00 70.65 145 A  1 
ATOM   1132 N NH2 . ARG    A  1  145 ? -4.263  -34.410 14.906  1.00 74.60 145 A  1 
ATOM   1133 N N   . LYS    A  1  146 ? -8.276  -32.982 13.253  1.00 92.92 146 A  1 
ATOM   1134 C CA  . LYS    A  1  146 ? -7.753  -33.695 12.092  1.00 92.50 146 A  1 
ATOM   1135 C C   . LYS    A  1  146 ? -8.515  -33.320 10.830  1.00 91.51 146 A  1 
ATOM   1136 O O   . LYS    A  1  146 ? -7.920  -33.144 9.768   1.00 88.91 146 A  1 
ATOM   1137 C CB  . LYS    A  1  146 ? -7.841  -35.203 12.313  1.00 91.76 146 A  1 
ATOM   1138 C CG  . LYS    A  1  146 ? -6.923  -35.730 13.397  1.00 84.17 146 A  1 
ATOM   1139 C CD  . LYS    A  1  146 ? -7.118  -37.221 13.589  1.00 81.77 146 A  1 
ATOM   1140 C CE  . LYS    A  1  146 ? -6.230  -37.759 14.698  1.00 72.58 146 A  1 
ATOM   1141 N NZ  . LYS    A  1  146 ? -6.466  -39.209 14.941  1.00 64.20 146 A  1 
ATOM   1142 N N   . GLN    A  1  147 ? -9.814  -33.206 10.970  1.00 93.43 147 A  1 
ATOM   1143 C CA  . GLN    A  1  147 ? -10.652 -32.920 9.817   1.00 92.88 147 A  1 
ATOM   1144 C C   . GLN    A  1  147 ? -10.373 -31.545 9.218   1.00 92.36 147 A  1 
ATOM   1145 O O   . GLN    A  1  147 ? -10.381 -31.387 7.998   1.00 88.83 147 A  1 
ATOM   1146 C CB  . GLN    A  1  147 ? -12.119 -33.044 10.205  1.00 91.45 147 A  1 
ATOM   1147 C CG  . GLN    A  1  147 ? -13.079 -32.996 9.033   1.00 82.12 147 A  1 
ATOM   1148 C CD  . GLN    A  1  147 ? -14.497 -33.352 9.432   1.00 79.99 147 A  1 
ATOM   1149 O OE1 . GLN    A  1  147 ? -14.784 -33.584 10.607  1.00 71.57 147 A  1 
ATOM   1150 N NE2 . GLN    A  1  147 ? -15.391 -33.402 8.456   1.00 69.60 147 A  1 
ATOM   1151 N N   . ILE    A  1  148 ? -10.130 -30.582 10.059  1.00 91.66 148 A  1 
ATOM   1152 C CA  . ILE    A  1  148 ? -9.885  -29.226 9.564   1.00 90.76 148 A  1 
ATOM   1153 C C   . ILE    A  1  148 ? -8.403  -28.936 9.357   1.00 90.38 148 A  1 
ATOM   1154 O O   . ILE    A  1  148 ? -8.048  -27.866 8.853   1.00 86.96 148 A  1 
ATOM   1155 C CB  . ILE    A  1  148 ? -10.490 -28.159 10.502  1.00 89.50 148 A  1 
ATOM   1156 C CG1 . ILE    A  1  148 ? -9.749  -28.122 11.837  1.00 81.66 148 A  1 
ATOM   1157 C CG2 . ILE    A  1  148 ? -11.977 -28.417 10.700  1.00 79.93 148 A  1 
ATOM   1158 C CD1 . ILE    A  1  148 ? -10.178 -26.989 12.750  1.00 79.05 148 A  1 
ATOM   1159 N N   . GLY    A  1  149 ? -7.564  -29.859 9.751   1.00 90.36 149 A  1 
ATOM   1160 C CA  . GLY    A  1  149 ? -6.134  -29.665 9.587   1.00 89.75 149 A  1 
ATOM   1161 C C   . GLY    A  1  149 ? -5.523  -28.676 10.560  1.00 90.29 149 A  1 
ATOM   1162 O O   . GLY    A  1  149 ? -4.506  -28.056 10.255  1.00 86.66 149 A  1 
ATOM   1163 N N   . ALA    A  1  150 ? -6.134  -28.528 11.711  1.00 90.18 150 A  1 
ATOM   1164 C CA  . ALA    A  1  150 ? -5.599  -27.610 12.710  1.00 91.14 150 A  1 
ATOM   1165 C C   . ALA    A  1  150 ? -4.276  -28.141 13.255  1.00 91.28 150 A  1 
ATOM   1166 O O   . ALA    A  1  150 ? -4.087  -29.348 13.390  1.00 88.79 150 A  1 
ATOM   1167 C CB  . ALA    A  1  150 ? -6.596  -27.409 13.842  1.00 90.50 150 A  1 
ATOM   1168 N N   . ALA    A  1  151 ? -3.388  -27.223 13.568  1.00 91.33 151 A  1 
ATOM   1169 C CA  . ALA    A  1  151 ? -2.071  -27.605 14.060  1.00 91.25 151 A  1 
ATOM   1170 C C   . ALA    A  1  151 ? -2.120  -28.200 15.462  1.00 91.58 151 A  1 
ATOM   1171 O O   . ALA    A  1  151 ? -1.248  -28.986 15.832  1.00 88.36 151 A  1 
ATOM   1172 C CB  . ALA    A  1  151 ? -1.142  -26.401 14.039  1.00 89.68 151 A  1 
ATOM   1173 N N   . ALA    A  1  152 ? -3.118  -27.823 16.224  1.00 92.07 152 A  1 
ATOM   1174 C CA  . ALA    A  1  152 ? -3.228  -28.315 17.590  1.00 92.18 152 A  1 
ATOM   1175 C C   . ALA    A  1  152 ? -4.659  -28.204 18.085  1.00 92.63 152 A  1 
ATOM   1176 O O   . ALA    A  1  152 ? -5.459  -27.451 17.528  1.00 90.19 152 A  1 
ATOM   1177 C CB  . ALA    A  1  152 ? -2.299  -27.535 18.509  1.00 90.67 152 A  1 
ATOM   1178 N N   . TYR    A  1  153 ? -4.946  -28.964 19.114  1.00 91.87 153 A  1 
ATOM   1179 C CA  . TYR    A  1  153 ? -6.246  -28.921 19.768  1.00 92.47 153 A  1 
ATOM   1180 C C   . TYR    A  1  153 ? -6.016  -28.850 21.269  1.00 92.54 153 A  1 
ATOM   1181 O O   . TYR    A  1  153 ? -5.281  -29.666 21.824  1.00 90.18 153 A  1 
ATOM   1182 C CB  . TYR    A  1  153 ? -7.080  -30.158 19.428  1.00 91.54 153 A  1 
ATOM   1183 C CG  . TYR    A  1  153 ? -8.342  -30.277 20.255  1.00 91.15 153 A  1 
ATOM   1184 C CD1 . TYR    A  1  153 ? -9.324  -29.298 20.199  1.00 85.67 153 A  1 
ATOM   1185 C CD2 . TYR    A  1  153 ? -8.547  -31.362 21.096  1.00 86.26 153 A  1 
ATOM   1186 C CE1 . TYR    A  1  153 ? -10.477 -29.396 20.964  1.00 85.25 153 A  1 
ATOM   1187 C CE2 . TYR    A  1  153 ? -9.696  -31.471 21.860  1.00 84.59 153 A  1 
ATOM   1188 C CZ  . TYR    A  1  153 ? -10.660 -30.483 21.792  1.00 88.40 153 A  1 
ATOM   1189 O OH  . TYR    A  1  153 ? -11.802 -30.578 22.548  1.00 87.44 153 A  1 
ATOM   1190 N N   . ILE    A  1  154 ? -6.649  -27.886 21.892  1.00 93.45 154 A  1 
ATOM   1191 C CA  . ILE    A  1  154 ? -6.494  -27.683 23.328  1.00 93.61 154 A  1 
ATOM   1192 C C   . ILE    A  1  154 ? -7.855  -27.422 23.944  1.00 93.54 154 A  1 
ATOM   1193 O O   . ILE    A  1  154 ? -8.691  -26.738 23.352  1.00 90.61 154 A  1 
ATOM   1194 C CB  . ILE    A  1  154 ? -5.563  -26.492 23.629  1.00 92.00 154 A  1 
ATOM   1195 C CG1 . ILE    A  1  154 ? -4.185  -26.722 23.008  1.00 78.35 154 A  1 
ATOM   1196 C CG2 . ILE    A  1  154 ? -5.434  -26.263 25.129  1.00 77.73 154 A  1 
ATOM   1197 C CD1 . ILE    A  1  154 ? -3.296  -25.512 23.035  1.00 74.77 154 A  1 
ATOM   1198 N N   . GLU    A  1  155 ? -8.062  -27.960 25.118  1.00 92.65 155 A  1 
ATOM   1199 C CA  . GLU    A  1  155 ? -9.285  -27.718 25.869  1.00 92.59 155 A  1 
ATOM   1200 C C   . GLU    A  1  155 ? -8.946  -26.831 27.053  1.00 92.46 155 A  1 
ATOM   1201 O O   . GLU    A  1  155 ? -7.970  -27.087 27.758  1.00 89.92 155 A  1 
ATOM   1202 C CB  . GLU    A  1  155 ? -9.894  -29.036 26.335  1.00 90.93 155 A  1 
ATOM   1203 C CG  . GLU    A  1  155 ? -10.338 -29.923 25.186  1.00 87.78 155 A  1 
ATOM   1204 C CD  . GLU    A  1  155 ? -10.901 -31.256 25.633  1.00 88.97 155 A  1 
ATOM   1205 O OE1 . GLU    A  1  155 ? -10.592 -31.687 26.760  1.00 83.10 155 A  1 
ATOM   1206 O OE2 . GLU    A  1  155 ? -11.646 -31.878 24.853  1.00 84.14 155 A  1 
ATOM   1207 N N   . CYS    A  1  156 ? -9.737  -25.809 27.253  1.00 91.72 156 A  1 
ATOM   1208 C CA  . CYS    A  1  156 ? -9.432  -24.870 28.324  1.00 91.29 156 A  1 
ATOM   1209 C C   . CYS    A  1  156 ? -10.685 -24.372 29.027  1.00 91.10 156 A  1 
ATOM   1210 O O   . CYS    A  1  156 ? -11.806 -24.572 28.562  1.00 88.48 156 A  1 
ATOM   1211 C CB  . CYS    A  1  156 ? -8.649  -23.675 27.778  1.00 89.45 156 A  1 
ATOM   1212 S SG  . CYS    A  1  156 ? -9.637  -22.535 26.784  1.00 84.71 156 A  1 
ATOM   1213 N N   . SER    A  1  157 ? -10.458 -23.725 30.135  1.00 90.81 157 A  1 
ATOM   1214 C CA  . SER    A  1  157 ? -11.525 -23.095 30.893  1.00 90.48 157 A  1 
ATOM   1215 C C   . SER    A  1  157 ? -11.050 -21.734 31.363  1.00 90.13 157 A  1 
ATOM   1216 O O   . SER    A  1  157 ? -10.063 -21.638 32.088  1.00 86.95 157 A  1 
ATOM   1217 C CB  . SER    A  1  157 ? -11.917 -23.939 32.099  1.00 89.13 157 A  1 
ATOM   1218 O OG  . SER    A  1  157 ? -12.797 -23.216 32.946  1.00 80.69 157 A  1 
ATOM   1219 N N   . SER    A  1  158 ? -11.753 -20.703 30.956  1.00 89.29 158 A  1 
ATOM   1220 C CA  . SER    A  1  158 ? -11.410 -19.365 31.423  1.00 88.32 158 A  1 
ATOM   1221 C C   . SER    A  1  158 ? -11.744 -19.204 32.900  1.00 87.84 158 A  1 
ATOM   1222 O O   . SER    A  1  158 ? -11.045 -18.493 33.619  1.00 84.31 158 A  1 
ATOM   1223 C CB  . SER    A  1  158 ? -12.141 -18.312 30.601  1.00 86.72 158 A  1 
ATOM   1224 O OG  . SER    A  1  158 ? -11.728 -18.347 29.249  1.00 76.43 158 A  1 
ATOM   1225 N N   . LYS    A  1  159 ? -12.794 -19.863 33.330  1.00 87.35 159 A  1 
ATOM   1226 C CA  . LYS    A  1  159 ? -13.215 -19.738 34.719  1.00 86.86 159 A  1 
ATOM   1227 C C   . LYS    A  1  159 ? -12.163 -20.273 35.684  1.00 86.59 159 A  1 
ATOM   1228 O O   . LYS    A  1  159 ? -11.872 -19.645 36.704  1.00 82.77 159 A  1 
ATOM   1229 C CB  . LYS    A  1  159 ? -14.543 -20.462 34.931  1.00 84.95 159 A  1 
ATOM   1230 C CG  . LYS    A  1  159 ? -15.143 -20.242 36.308  1.00 80.64 159 A  1 
ATOM   1231 C CD  . LYS    A  1  159 ? -16.503 -20.889 36.427  1.00 75.75 159 A  1 
ATOM   1232 C CE  . LYS    A  1  159 ? -17.109 -20.641 37.796  1.00 69.53 159 A  1 
ATOM   1233 N NZ  . LYS    A  1  159 ? -18.449 -21.266 37.930  1.00 62.53 159 A  1 
ATOM   1234 N N   . THR    A  1  160 ? -11.612 -21.413 35.363  1.00 88.33 160 A  1 
ATOM   1235 C CA  . THR    A  1  160 ? -10.567 -21.997 36.200  1.00 87.29 160 A  1 
ATOM   1236 C C   . THR    A  1  160 ? -9.173  -21.620 35.712  1.00 87.16 160 A  1 
ATOM   1237 O O   . THR    A  1  160 ? -8.184  -21.919 36.383  1.00 82.49 160 A  1 
ATOM   1238 C CB  . THR    A  1  160 ? -10.668 -23.524 36.227  1.00 85.62 160 A  1 
ATOM   1239 O OG1 . THR    A  1  160 ? -10.397 -24.041 34.922  1.00 76.10 160 A  1 
ATOM   1240 C CG2 . THR    A  1  160 ? -12.049 -23.973 36.673  1.00 73.40 160 A  1 
ATOM   1241 N N   . GLN    A  1  161 ? -9.123  -20.996 34.552  1.00 89.00 161 A  1 
ATOM   1242 C CA  . GLN    A  1  161 ? -7.874  -20.615 33.898  1.00 88.85 161 A  1 
ATOM   1243 C C   . GLN    A  1  161 ? -7.050  -21.826 33.475  1.00 89.83 161 A  1 
ATOM   1244 O O   . GLN    A  1  161 ? -5.862  -21.703 33.171  1.00 86.08 161 A  1 
ATOM   1245 C CB  . GLN    A  1  161 ? -7.052  -19.675 34.781  1.00 86.06 161 A  1 
ATOM   1246 C CG  . GLN    A  1  161 ? -7.778  -18.380 35.101  1.00 78.66 161 A  1 
ATOM   1247 C CD  . GLN    A  1  161 ? -6.932  -17.403 35.885  1.00 72.50 161 A  1 
ATOM   1248 O OE1 . GLN    A  1  161 ? -5.756  -17.641 36.132  1.00 64.88 161 A  1 
ATOM   1249 N NE2 . GLN    A  1  161 ? -7.534  -16.291 36.289  1.00 62.20 161 A  1 
ATOM   1250 N N   . GLN    A  1  162 ? -7.680  -22.970 33.439  1.00 89.53 162 A  1 
ATOM   1251 C CA  . GLN    A  1  162 ? -6.987  -24.187 33.052  1.00 89.75 162 A  1 
ATOM   1252 C C   . GLN    A  1  162 ? -6.664  -24.158 31.562  1.00 90.22 162 A  1 
ATOM   1253 O O   . GLN    A  1  162 ? -7.550  -23.981 30.730  1.00 86.95 162 A  1 
ATOM   1254 C CB  . GLN    A  1  162 ? -7.840  -25.405 33.389  1.00 87.99 162 A  1 
ATOM   1255 C CG  . GLN    A  1  162 ? -7.141  -26.735 33.180  1.00 78.91 162 A  1 
ATOM   1256 C CD  . GLN    A  1  162 ? -7.978  -27.909 33.641  1.00 74.68 162 A  1 
ATOM   1257 O OE1 . GLN    A  1  162 ? -9.107  -27.739 34.100  1.00 67.26 162 A  1 
ATOM   1258 N NE2 . GLN    A  1  162 ? -7.433  -29.109 33.524  1.00 64.61 162 A  1 
ATOM   1259 N N   . ASN    A  1  163 ? -5.390  -24.312 31.258  1.00 88.73 163 A  1 
ATOM   1260 C CA  . ASN    A  1  163 ? -4.875  -24.366 29.894  1.00 89.67 163 A  1 
ATOM   1261 C C   . ASN    A  1  163 ? -5.035  -23.078 29.091  1.00 90.05 163 A  1 
ATOM   1262 O O   . ASN    A  1  163 ? -4.762  -23.072 27.892  1.00 85.88 163 A  1 
ATOM   1263 C CB  . ASN    A  1  163 ? -5.497  -25.531 29.114  1.00 87.95 163 A  1 
ATOM   1264 C CG  . ASN    A  1  163 ? -4.963  -26.873 29.556  1.00 87.36 163 A  1 
ATOM   1265 O OD1 . ASN    A  1  163 ? -3.857  -26.970 30.074  1.00 77.76 163 A  1 
ATOM   1266 N ND2 . ASN    A  1  163 ? -5.752  -27.917 29.345  1.00 78.29 163 A  1 
ATOM   1267 N N   . VAL    A  1  164 ? -5.445  -22.015 29.731  1.00 89.68 164 A  1 
ATOM   1268 C CA  . VAL    A  1  164 ? -5.591  -20.760 28.991  1.00 89.80 164 A  1 
ATOM   1269 C C   . VAL    A  1  164 ? -4.226  -20.285 28.501  1.00 89.67 164 A  1 
ATOM   1270 O O   . VAL    A  1  164 ? -4.071  -19.893 27.344  1.00 87.42 164 A  1 
ATOM   1271 C CB  . VAL    A  1  164 ? -6.276  -19.686 29.849  1.00 88.72 164 A  1 
ATOM   1272 C CG1 . VAL    A  1  164 ? -6.223  -18.328 29.163  1.00 79.28 164 A  1 
ATOM   1273 C CG2 . VAL    A  1  164 ? -7.724  -20.074 30.108  1.00 79.72 164 A  1 
ATOM   1274 N N   . LYS    A  1  165 ? -3.255  -20.329 29.373  1.00 90.08 165 A  1 
ATOM   1275 C CA  . LYS    A  1  165 ? -1.910  -19.946 28.964  1.00 89.39 165 A  1 
ATOM   1276 C C   . LYS    A  1  165 ? -1.375  -20.914 27.912  1.00 89.91 165 A  1 
ATOM   1277 O O   . LYS    A  1  165 ? -0.676  -20.509 26.981  1.00 87.98 165 A  1 
ATOM   1278 C CB  . LYS    A  1  165 ? -0.976  -19.908 30.168  1.00 87.33 165 A  1 
ATOM   1279 C CG  . LYS    A  1  165 ? 0.420   -19.399 29.852  1.00 79.11 165 A  1 
ATOM   1280 C CD  . LYS    A  1  165 ? 1.276   -19.304 31.102  1.00 73.42 165 A  1 
ATOM   1281 C CE  . LYS    A  1  165 ? 2.639   -18.700 30.802  1.00 64.61 165 A  1 
ATOM   1282 N NZ  . LYS    A  1  165 ? 3.456   -19.550 29.894  1.00 57.41 165 A  1 
ATOM   1283 N N   . ALA    A  1  166 ? -1.707  -22.182 28.057  1.00 90.79 166 A  1 
ATOM   1284 C CA  . ALA    A  1  166 ? -1.255  -23.194 27.109  1.00 91.22 166 A  1 
ATOM   1285 C C   . ALA    A  1  166 ? -1.771  -22.926 25.701  1.00 91.78 166 A  1 
ATOM   1286 O O   . ALA    A  1  166 ? -1.088  -23.233 24.722  1.00 89.07 166 A  1 
ATOM   1287 C CB  . ALA    A  1  166 ? -1.686  -24.578 27.571  1.00 90.16 166 A  1 
ATOM   1288 N N   . VAL    A  1  167 ? -2.958  -22.371 25.608  1.00 90.56 167 A  1 
ATOM   1289 C CA  . VAL    A  1  167 ? -3.527  -22.053 24.297  1.00 90.75 167 A  1 
ATOM   1290 C C   . VAL    A  1  167 ? -2.605  -21.117 23.532  1.00 90.63 167 A  1 
ATOM   1291 O O   . VAL    A  1  167 ? -2.247  -21.370 22.377  1.00 88.59 167 A  1 
ATOM   1292 C CB  . VAL    A  1  167 ? -4.918  -21.413 24.440  1.00 90.09 167 A  1 
ATOM   1293 C CG1 . VAL    A  1  167 ? -5.381  -20.818 23.115  1.00 80.69 167 A  1 
ATOM   1294 C CG2 . VAL    A  1  167 ? -5.925  -22.443 24.930  1.00 81.66 167 A  1 
ATOM   1295 N N   . PHE    A  1  168 ? -2.225  -20.050 24.173  1.00 90.62 168 A  1 
ATOM   1296 C CA  . PHE    A  1  168 ? -1.431  -19.043 23.485  1.00 90.08 168 A  1 
ATOM   1297 C C   . PHE    A  1  168 ? 0.035   -19.428 23.370  1.00 90.12 168 A  1 
ATOM   1298 O O   . PHE    A  1  168 ? 0.685   -19.078 22.382  1.00 86.68 168 A  1 
ATOM   1299 C CB  . PHE    A  1  168 ? -1.640  -17.696 24.155  1.00 88.72 168 A  1 
ATOM   1300 C CG  . PHE    A  1  168 ? -3.070  -17.249 24.084  1.00 88.14 168 A  1 
ATOM   1301 C CD1 . PHE    A  1  168 ? -3.574  -16.704 22.916  1.00 81.46 168 A  1 
ATOM   1302 C CD2 . PHE    A  1  168 ? -3.924  -17.436 25.154  1.00 81.54 168 A  1 
ATOM   1303 C CE1 . PHE    A  1  168 ? -4.904  -16.339 22.826  1.00 80.20 168 A  1 
ATOM   1304 C CE2 . PHE    A  1  168 ? -5.258  -17.072 25.065  1.00 78.66 168 A  1 
ATOM   1305 C CZ  . PHE    A  1  168 ? -5.747  -16.520 23.899  1.00 82.92 168 A  1 
ATOM   1306 N N   . ASP    A  1  169 ? 0.525   -20.153 24.334  1.00 89.98 169 A  1 
ATOM   1307 C CA  . ASP    A  1  169 ? 1.886   -20.671 24.202  1.00 89.47 169 A  1 
ATOM   1308 C C   . ASP    A  1  169 ? 1.970   -21.612 23.004  1.00 89.98 169 A  1 
ATOM   1309 O O   . ASP    A  1  169 ? 2.931   -21.567 22.232  1.00 87.88 169 A  1 
ATOM   1310 C CB  . ASP    A  1  169 ? 2.311   -21.414 25.467  1.00 87.58 169 A  1 
ATOM   1311 C CG  . ASP    A  1  169 ? 2.629   -20.481 26.625  1.00 83.89 169 A  1 
ATOM   1312 O OD1 . ASP    A  1  169 ? 2.685   -19.253 26.421  1.00 76.65 169 A  1 
ATOM   1313 O OD2 . ASP    A  1  169 ? 2.833   -20.992 27.744  1.00 77.31 169 A  1 
ATOM   1314 N N   . THR    A  1  170 ? 0.961   -22.446 22.854  1.00 90.44 170 A  1 
ATOM   1315 C CA  . THR    A  1  170 ? 0.927   -23.371 21.726  1.00 90.79 170 A  1 
ATOM   1316 C C   . THR    A  1  170 ? 0.811   -22.613 20.410  1.00 91.09 170 A  1 
ATOM   1317 O O   . THR    A  1  170 ? 1.471   -22.955 19.427  1.00 88.83 170 A  1 
ATOM   1318 C CB  . THR    A  1  170 ? -0.236  -24.359 21.866  1.00 90.10 170 A  1 
ATOM   1319 O OG1 . THR    A  1  170 ? -0.071  -25.116 23.067  1.00 78.97 170 A  1 
ATOM   1320 C CG2 . THR    A  1  170 ? -0.292  -25.310 20.680  1.00 76.84 170 A  1 
ATOM   1321 N N   . ALA    A  1  171 ? -0.025  -21.602 20.406  1.00 90.78 171 A  1 
ATOM   1322 C CA  . ALA    A  1  171 ? -0.177  -20.793 19.202  1.00 90.63 171 A  1 
ATOM   1323 C C   . ALA    A  1  171 ? 1.164   -20.190 18.791  1.00 90.52 171 A  1 
ATOM   1324 O O   . ALA    A  1  171 ? 1.531   -20.212 17.613  1.00 88.20 171 A  1 
ATOM   1325 C CB  . ALA    A  1  171 ? -1.206  -19.697 19.433  1.00 90.03 171 A  1 
ATOM   1326 N N   . ILE    A  1  172 ? 1.883   -19.676 19.749  1.00 90.07 172 A  1 
ATOM   1327 C CA  . ILE    A  1  172 ? 3.194   -19.099 19.462  1.00 89.48 172 A  1 
ATOM   1328 C C   . ILE    A  1  172 ? 4.137   -20.166 18.914  1.00 88.94 172 A  1 
ATOM   1329 O O   . ILE    A  1  172 ? 4.839   -19.937 17.926  1.00 86.69 172 A  1 
ATOM   1330 C CB  . ILE    A  1  172 ? 3.787   -18.446 20.720  1.00 88.33 172 A  1 
ATOM   1331 C CG1 . ILE    A  1  172 ? 2.972   -17.204 21.101  1.00 81.85 172 A  1 
ATOM   1332 C CG2 . ILE    A  1  172 ? 5.246   -18.075 20.493  1.00 81.43 172 A  1 
ATOM   1333 C CD1 . ILE    A  1  172 ? 3.245   -16.689 22.496  1.00 77.57 172 A  1 
ATOM   1334 N N   . LYS    A  1  173 ? 4.138   -21.317 19.540  1.00 90.28 173 A  1 
ATOM   1335 C CA  . LYS    A  1  173 ? 5.015   -22.396 19.088  1.00 89.82 173 A  1 
ATOM   1336 C C   . LYS    A  1  173 ? 4.696   -22.820 17.662  1.00 89.60 173 A  1 
ATOM   1337 O O   . LYS    A  1  173 ? 5.605   -23.095 16.877  1.00 86.86 173 A  1 
ATOM   1338 C CB  . LYS    A  1  173 ? 4.907   -23.602 20.019  1.00 88.64 173 A  1 
ATOM   1339 C CG  . LYS    A  1  173 ? 5.506   -23.376 21.393  1.00 82.53 173 A  1 
ATOM   1340 C CD  . LYS    A  1  173 ? 5.344   -24.599 22.273  1.00 78.17 173 A  1 
ATOM   1341 C CE  . LYS    A  1  173 ? 5.882   -24.346 23.671  1.00 70.28 173 A  1 
ATOM   1342 N NZ  . LYS    A  1  173 ? 5.742   -25.538 24.551  1.00 63.00 173 A  1 
ATOM   1343 N N   . VAL    A  1  174 ? 3.425   -22.875 17.338  1.00 89.59 174 A  1 
ATOM   1344 C CA  . VAL    A  1  174 ? 3.026   -23.258 15.985  1.00 89.35 174 A  1 
ATOM   1345 C C   . VAL    A  1  174 ? 3.571   -22.259 14.971  1.00 88.85 174 A  1 
ATOM   1346 O O   . VAL    A  1  174 ? 4.069   -22.641 13.910  1.00 85.83 174 A  1 
ATOM   1347 C CB  . VAL    A  1  174 ? 1.497   -23.364 15.871  1.00 88.85 174 A  1 
ATOM   1348 C CG1 . VAL    A  1  174 ? 1.066   -23.492 14.414  1.00 80.70 174 A  1 
ATOM   1349 C CG2 . VAL    A  1  174 ? 0.992   -24.563 16.662  1.00 81.32 174 A  1 
ATOM   1350 N N   . VAL    A  1  175 ? 3.474   -20.997 15.300  1.00 89.06 175 A  1 
ATOM   1351 C CA  . VAL    A  1  175 ? 3.973   -19.966 14.388  1.00 87.92 175 A  1 
ATOM   1352 C C   . VAL    A  1  175 ? 5.485   -20.063 14.228  1.00 86.12 175 A  1 
ATOM   1353 O O   . VAL    A  1  175 ? 6.018   -19.875 13.131  1.00 81.39 175 A  1 
ATOM   1354 C CB  . VAL    A  1  175 ? 3.586   -18.565 14.878  1.00 87.40 175 A  1 
ATOM   1355 C CG1 . VAL    A  1  175 ? 4.259   -17.490 14.030  1.00 79.06 175 A  1 
ATOM   1356 C CG2 . VAL    A  1  175 ? 2.082   -18.389 14.832  1.00 80.70 175 A  1 
ATOM   1357 N N   . LEU    A  1  176 ? 6.162   -20.346 15.310  1.00 87.29 176 A  1 
ATOM   1358 C CA  . LEU    A  1  176 ? 7.618   -20.417 15.262  1.00 85.60 176 A  1 
ATOM   1359 C C   . LEU    A  1  176 ? 8.127   -21.659 14.539  1.00 83.21 176 A  1 
ATOM   1360 O O   . LEU    A  1  176 ? 9.278   -21.687 14.102  1.00 76.94 176 A  1 
ATOM   1361 C CB  . LEU    A  1  176 ? 8.195   -20.369 16.672  1.00 83.94 176 A  1 
ATOM   1362 C CG  . LEU    A  1  176 ? 7.964   -19.064 17.438  1.00 81.27 176 A  1 
ATOM   1363 C CD1 . LEU    A  1  176 ? 8.460   -19.193 18.864  1.00 75.14 176 A  1 
ATOM   1364 C CD2 . LEU    A  1  176 ? 8.649   -17.900 16.740  1.00 75.47 176 A  1 
ATOM   1365 N N   . GLN    A  1  177 ? 7.290   -22.648 14.412  1.00 83.55 177 A  1 
ATOM   1366 C CA  . GLN    A  1  177 ? 7.688   -23.847 13.687  1.00 80.52 177 A  1 
ATOM   1367 C C   . GLN    A  1  177 ? 7.795   -23.542 12.201  1.00 78.56 177 A  1 
ATOM   1368 O O   . GLN    A  1  177 ? 7.114   -22.649 11.695  1.00 70.15 177 A  1 
ATOM   1369 C CB  . GLN    A  1  177 ? 6.679   -24.969 13.901  1.00 76.20 177 A  1 
ATOM   1370 C CG  . GLN    A  1  177 ? 6.756   -25.611 15.268  1.00 67.49 177 A  1 
ATOM   1371 C CD  . GLN    A  1  177 ? 5.688   -26.663 15.480  1.00 62.89 177 A  1 
ATOM   1372 O OE1 . GLN    A  1  177 ? 4.752   -26.787 14.695  1.00 56.51 177 A  1 
ATOM   1373 N NE2 . GLN    A  1  177 ? 5.818   -27.429 16.552  1.00 54.30 177 A  1 
ATOM   1374 N N   . PRO    A  1  178 ? 8.630   -24.287 11.499  1.00 71.94 178 A  1 
ATOM   1375 C CA  . PRO    A  1  178 ? 8.750   -24.068 10.057  1.00 68.09 178 A  1 
ATOM   1376 C C   . PRO    A  1  178 ? 7.403   -24.261 9.372   1.00 66.96 178 A  1 
ATOM   1377 O O   . PRO    A  1  178 ? 6.778   -25.305 9.528   1.00 60.32 178 A  1 
ATOM   1378 C CB  . PRO    A  1  178 ? 9.744   -25.141 9.612   1.00 61.86 178 A  1 
ATOM   1379 C CG  . PRO    A  1  178 ? 10.503  -25.493 10.839  1.00 58.16 178 A  1 
ATOM   1380 C CD  . PRO    A  1  178 ? 9.551   -25.325 11.977  1.00 60.90 178 A  1 
ATOM   1381 N N   . PRO    A  1  179 ? 6.972   -23.275 8.625   1.00 63.80 179 A  1 
ATOM   1382 C CA  . PRO    A  1  179 ? 5.682   -23.400 7.950   1.00 60.99 179 A  1 
ATOM   1383 C C   . PRO    A  1  179 ? 5.742   -24.430 6.828   1.00 60.65 179 A  1 
ATOM   1384 O O   . PRO    A  1  179 ? 6.750   -24.559 6.142   1.00 55.29 179 A  1 
ATOM   1385 C CB  . PRO    A  1  179 ? 5.442   -21.994 7.397   1.00 54.99 179 A  1 
ATOM   1386 C CG  . PRO    A  1  179 ? 6.803   -21.434 7.202   1.00 52.05 179 A  1 
ATOM   1387 C CD  . PRO    A  1  179 ? 7.636   -22.000 8.315   1.00 53.67 179 A  1 
ATOM   1388 N N   . ARG    A  1  180 ? 4.658   -25.133 6.647   1.00 62.40 180 A  1 
ATOM   1389 C CA  . ARG    A  1  180 ? 4.607   -26.157 5.610   1.00 61.60 180 A  1 
ATOM   1390 C C   . ARG    A  1  180 ? 4.167   -25.567 4.278   1.00 60.96 180 A  1 
ATOM   1391 O O   . ARG    A  1  180 ? 4.928   -25.545 3.313   1.00 56.98 180 A  1 
ATOM   1392 C CB  . ARG    A  1  180 ? 3.667   -27.285 6.039   1.00 57.08 180 A  1 
ATOM   1393 C CG  . ARG    A  1  180 ? 3.666   -28.464 5.085   1.00 52.05 180 A  1 
ATOM   1394 C CD  . ARG    A  1  180 ? 2.819   -29.593 5.626   1.00 49.15 180 A  1 
ATOM   1395 N NE  . ARG    A  1  180 ? 2.779   -30.726 4.712   1.00 44.75 180 A  1 
ATOM   1396 C CZ  . ARG    A  1  180 ? 2.133   -31.862 4.951   1.00 40.48 180 A  1 
ATOM   1397 N NH1 . ARG    A  1  180 ? 1.468   -32.028 6.082   1.00 38.52 180 A  1 
ATOM   1398 N NH2 . ARG    A  1  180 ? 2.148   -32.827 4.063   1.00 36.01 180 A  1 
ATOM   1399 N N   . ARG    A  1  181 ? 2.940   -25.097 4.233   1.00 58.10 181 A  1 
ATOM   1400 C CA  . ARG    A  1  181 ? 2.418   -24.469 3.022   1.00 57.72 181 A  1 
ATOM   1401 C C   . ARG    A  1  181 ? 2.346   -22.952 3.144   1.00 57.17 181 A  1 
ATOM   1402 O O   . ARG    A  1  181 ? 1.967   -22.280 2.192   1.00 54.15 181 A  1 
ATOM   1403 C CB  . ARG    A  1  181 ? 1.023   -25.003 2.708   1.00 53.69 181 A  1 
ATOM   1404 C CG  . ARG    A  1  181 ? 0.990   -26.465 2.280   1.00 49.62 181 A  1 
ATOM   1405 C CD  . ARG    A  1  181 ? 1.464   -26.635 0.854   1.00 46.98 181 A  1 
ATOM   1406 N NE  . ARG    A  1  181 ? 1.358   -28.014 0.401   1.00 42.61 181 A  1 
ATOM   1407 C CZ  . ARG    A  1  181 ? 1.691   -28.447 -0.812  1.00 38.64 181 A  1 
ATOM   1408 N NH1 . ARG    A  1  181 ? 2.157   -27.598 -1.721  1.00 37.29 181 A  1 
ATOM   1409 N NH2 . ARG    A  1  181 ? 1.560   -29.713 -1.119  1.00 34.70 181 A  1 
ATOM   1410 N N   . LYS    A  1  182 ? 2.698   -22.464 4.287   1.00 53.54 182 A  1 
ATOM   1411 C CA  . LYS    A  1  182 ? 2.597   -21.027 4.508   1.00 54.20 182 A  1 
ATOM   1412 C C   . LYS    A  1  182 ? 3.657   -20.236 3.754   1.00 53.64 182 A  1 
ATOM   1413 O O   . LYS    A  1  182 ? 3.438   -19.076 3.411   1.00 50.80 182 A  1 
ATOM   1414 C CB  . LYS    A  1  182 ? 2.686   -20.717 5.998   1.00 51.25 182 A  1 
ATOM   1415 C CG  . LYS    A  1  182 ? 2.413   -19.271 6.345   1.00 47.84 182 A  1 
ATOM   1416 C CD  . LYS    A  1  182 ? 2.411   -19.052 7.838   1.00 44.74 182 A  1 
ATOM   1417 C CE  . LYS    A  1  182 ? 2.151   -17.595 8.175   1.00 40.47 182 A  1 
ATOM   1418 N NZ  . LYS    A  1  182 ? 2.141   -17.352 9.637   1.00 37.49 182 A  1 
ATOM   1419 N N   . GLU    A  1  183 ? 4.770   -20.846 3.514   1.00 52.95 183 A  1 
ATOM   1420 C CA  . GLU    A  1  183 ? 5.836   -20.138 2.814   1.00 53.21 183 A  1 
ATOM   1421 C C   . GLU    A  1  183 ? 5.514   -19.951 1.336   1.00 52.05 183 A  1 
ATOM   1422 O O   . GLU    A  1  183 ? 5.890   -18.945 0.735   1.00 49.54 183 A  1 
ATOM   1423 C CB  . GLU    A  1  183 ? 7.164   -20.863 2.980   1.00 50.29 183 A  1 
ATOM   1424 C CG  . GLU    A  1  183 ? 8.349   -20.079 2.454   1.00 46.28 183 A  1 
ATOM   1425 C CD  . GLU    A  1  183 ? 9.682   -20.737 2.752   1.00 43.54 183 A  1 
ATOM   1426 O OE1 . GLU    A  1  183 ? 9.678   -21.807 3.387   1.00 40.35 183 A  1 
ATOM   1427 O OE2 . GLU    A  1  183 ? 10.719  -20.181 2.352   1.00 40.96 183 A  1 
ATOM   1428 N N   . VAL    A  1  184 ? 4.829   -20.915 0.775   1.00 53.95 184 A  1 
ATOM   1429 C CA  . VAL    A  1  184 ? 4.429   -20.814 -0.628  1.00 55.11 184 A  1 
ATOM   1430 C C   . VAL    A  1  184 ? 3.508   -19.608 -0.856  1.00 54.59 184 A  1 
ATOM   1431 O O   . VAL    A  1  184 ? 3.724   -18.837 -1.793  1.00 51.32 184 A  1 
ATOM   1432 C CB  . VAL    A  1  184 ? 3.761   -22.111 -1.102  1.00 51.35 184 A  1 
ATOM   1433 C CG1 . VAL    A  1  184 ? 3.247   -21.959 -2.526  1.00 46.10 184 A  1 
ATOM   1434 C CG2 . VAL    A  1  184 ? 4.751   -23.263 -1.019  1.00 46.57 184 A  1 
ATOM   1435 N N   . PRO    A  1  185 ? 2.508   -19.436 -0.018  1.00 53.30 185 A  1 
ATOM   1436 C CA  . PRO    A  1  185 ? 1.654   -18.253 -0.158  1.00 53.86 185 A  1 
ATOM   1437 C C   . PRO    A  1  185 ? 2.417   -16.955 0.017   1.00 53.26 185 A  1 
ATOM   1438 O O   . PRO    A  1  185 ? 2.090   -15.963 -0.624  1.00 50.79 185 A  1 
ATOM   1439 C CB  . PRO    A  1  185 ? 0.631   -18.419 0.961   1.00 51.61 185 A  1 
ATOM   1440 C CG  . PRO    A  1  185 ? 0.619   -19.858 1.242   1.00 50.40 185 A  1 
ATOM   1441 C CD  . PRO    A  1  185 ? 1.964   -20.399 0.891   1.00 52.57 185 A  1 
ATOM   1442 N N   . ARG    A  1  186 ? 3.411   -16.960 0.847   1.00 55.03 186 A  1 
ATOM   1443 C CA  . ARG    A  1  186 ? 4.214   -15.755 0.999   1.00 56.76 186 A  1 
ATOM   1444 C C   . ARG    A  1  186 ? 4.893   -15.432 -0.324  1.00 55.05 186 A  1 
ATOM   1445 O O   . ARG    A  1  186 ? 4.963   -14.274 -0.731  1.00 52.16 186 A  1 
ATOM   1446 C CB  . ARG    A  1  186 ? 5.276   -15.935 2.078   1.00 53.94 186 A  1 
ATOM   1447 C CG  . ARG    A  1  186 ? 4.736   -15.927 3.488   1.00 50.19 186 A  1 
ATOM   1448 C CD  . ARG    A  1  186 ? 5.869   -16.051 4.476   1.00 48.07 186 A  1 
ATOM   1449 N NE  . ARG    A  1  186 ? 5.401   -16.017 5.858   1.00 43.39 186 A  1 
ATOM   1450 C CZ  . ARG    A  1  186 ? 6.179   -16.167 6.925   1.00 40.77 186 A  1 
ATOM   1451 N NH1 . ARG    A  1  186 ? 7.479   -16.364 6.773   1.00 38.78 186 A  1 
ATOM   1452 N NH2 . ARG    A  1  186 ? 5.661   -16.120 8.134   1.00 36.43 186 A  1 
ATOM   1453 N N   . ARG    A  1  187 ? 5.372   -16.449 -0.963  1.00 53.03 187 A  1 
ATOM   1454 C CA  . ARG    A  1  187 ? 6.010   -16.251 -2.258  1.00 55.80 187 A  1 
ATOM   1455 C C   . ARG    A  1  187 ? 4.999   -15.710 -3.261  1.00 54.15 187 A  1 
ATOM   1456 O O   . ARG    A  1  187 ? 5.309   -14.805 -4.035  1.00 51.91 187 A  1 
ATOM   1457 C CB  . ARG    A  1  187 ? 6.587   -17.562 -2.785  1.00 52.69 187 A  1 
ATOM   1458 C CG  . ARG    A  1  187 ? 7.782   -18.068 -2.004  1.00 48.83 187 A  1 
ATOM   1459 C CD  . ARG    A  1  187 ? 8.297   -19.353 -2.608  1.00 46.85 187 A  1 
ATOM   1460 N NE  . ARG    A  1  187 ? 9.426   -19.896 -1.867  1.00 42.63 187 A  1 
ATOM   1461 C CZ  . ARG    A  1  187 ? 10.041  -21.040 -2.150  1.00 39.78 187 A  1 
ATOM   1462 N NH1 . ARG    A  1  187 ? 9.634   -21.777 -3.173  1.00 37.96 187 A  1 
ATOM   1463 N NH2 . ARG    A  1  187 ? 11.054  -21.446 -1.417  1.00 36.04 187 A  1 
ATOM   1464 N N   . ARG    A  1  188 ? 3.828   -16.275 -3.223  1.00 52.31 188 A  1 
ATOM   1465 C CA  . ARG    A  1  188 ? 2.785   -15.825 -4.140  1.00 54.15 188 A  1 
ATOM   1466 C C   . ARG    A  1  188 ? 2.414   -14.369 -3.870  1.00 52.06 188 A  1 
ATOM   1467 O O   . ARG    A  1  188 ? 2.251   -13.587 -4.809  1.00 49.00 188 A  1 
ATOM   1468 C CB  . ARG    A  1  188 ? 1.541   -16.709 -4.015  1.00 51.69 188 A  1 
ATOM   1469 C CG  . ARG    A  1  188 ? 1.777   -18.134 -4.484  1.00 47.74 188 A  1 
ATOM   1470 C CD  . ARG    A  1  188 ? 0.559   -19.005 -4.282  1.00 44.73 188 A  1 
ATOM   1471 N NE  . ARG    A  1  188 ? -0.529  -18.638 -5.169  1.00 40.92 188 A  1 
ATOM   1472 C CZ  . ARG    A  1  188 ? -1.722  -19.233 -5.191  1.00 38.23 188 A  1 
ATOM   1473 N NH1 . ARG    A  1  188 ? -1.981  -20.230 -4.368  1.00 36.03 188 A  1 
ATOM   1474 N NH2 . ARG    A  1  188 ? -2.654  -18.827 -6.040  1.00 34.01 188 A  1 
ATOM   1475 N N   . LYS    A  1  189 ? 2.295   -14.035 -2.621  1.00 53.45 189 A  1 
ATOM   1476 C CA  . LYS    A  1  189 ? 1.965   -12.660 -2.269  1.00 54.49 189 A  1 
ATOM   1477 C C   . LYS    A  1  189 ? 3.078   -11.715 -2.704  1.00 52.66 189 A  1 
ATOM   1478 O O   . LYS    A  1  189 ? 2.812   -10.645 -3.252  1.00 49.45 189 A  1 
ATOM   1479 C CB  . LYS    A  1  189 ? 1.735   -12.522 -0.769  1.00 52.03 189 A  1 
ATOM   1480 C CG  . LYS    A  1  189 ? 0.443   -13.143 -0.291  1.00 48.79 189 A  1 
ATOM   1481 C CD  . LYS    A  1  189 ? 0.261   -12.958 1.198   1.00 46.15 189 A  1 
ATOM   1482 C CE  . LYS    A  1  189 ? -1.034  -13.590 1.682   1.00 41.78 189 A  1 
ATOM   1483 N NZ  . LYS    A  1  189 ? -1.222  -13.430 3.147   1.00 40.30 189 A  1 
ATOM   1484 N N   . ASN    A  1  190 ? 4.281   -12.122 -2.464  1.00 56.91 190 A  1 
ATOM   1485 C CA  . ASN    A  1  190 ? 5.411   -11.288 -2.855  1.00 59.42 190 A  1 
ATOM   1486 C C   . ASN    A  1  190 ? 5.439   -11.125 -4.367  1.00 59.20 190 A  1 
ATOM   1487 O O   . ASN    A  1  190 ? 5.731   -10.046 -4.877  1.00 54.25 190 A  1 
ATOM   1488 C CB  . ASN    A  1  190 ? 6.721   -11.898 -2.375  1.00 55.25 190 A  1 
ATOM   1489 C CG  . ASN    A  1  190 ? 6.890   -11.791 -0.874  1.00 50.58 190 A  1 
ATOM   1490 O OD1 . ASN    A  1  190 ? 6.213   -11.009 -0.210  1.00 46.86 190 A  1 
ATOM   1491 N ND2 . ASN    A  1  190 ? 7.804   -12.578 -0.333  1.00 47.16 190 A  1 
ATOM   1492 N N   . HIS    A  1  191 ? 5.134   -12.180 -5.032  1.00 56.60 191 A  1 
ATOM   1493 C CA  . HIS    A  1  191 ? 5.107   -12.137 -6.487  1.00 57.20 191 A  1 
ATOM   1494 C C   . HIS    A  1  191 ? 4.022   -11.182 -6.973  1.00 54.37 191 A  1 
ATOM   1495 O O   . HIS    A  1  191 ? 4.239   -10.423 -7.912  1.00 52.01 191 A  1 
ATOM   1496 C CB  . HIS    A  1  191 ? 4.870   -13.538 -7.040  1.00 55.62 191 A  1 
ATOM   1497 C CG  . HIS    A  1  191 ? 5.023   -13.612 -8.526  1.00 52.91 191 A  1 
ATOM   1498 N ND1 . HIS    A  1  191 ? 3.992   -13.377 -9.388  1.00 47.99 191 A  1 
ATOM   1499 C CD2 . HIS    A  1  191 ? 6.101   -13.887 -9.292  1.00 48.12 191 A  1 
ATOM   1500 C CE1 . HIS    A  1  191 ? 4.422   -13.506 -10.631 1.00 47.09 191 A  1 
ATOM   1501 N NE2 . HIS    A  1  191 ? 5.705   -13.816 -10.602 1.00 46.44 191 A  1 
ATOM   1502 N N   . ARG    A  1  192 ? 2.899   -11.237 -6.329  1.00 52.06 192 A  1 
ATOM   1503 C CA  . ARG    A  1  192 ? 1.813   -10.321 -6.688  1.00 55.11 192 A  1 
ATOM   1504 C C   . ARG    A  1  192 ? 2.214   -8.873  -6.450  1.00 53.40 192 A  1 
ATOM   1505 O O   . ARG    A  1  192 ? 1.887   -7.994  -7.241  1.00 49.95 192 A  1 
ATOM   1506 C CB  . ARG    A  1  192 ? 0.556   -10.635 -5.881  1.00 52.63 192 A  1 
ATOM   1507 C CG  . ARG    A  1  192 ? -0.135  -11.912 -6.291  1.00 48.79 192 A  1 
ATOM   1508 C CD  . ARG    A  1  192 ? -1.357  -12.173 -5.440  1.00 45.99 192 A  1 
ATOM   1509 N NE  . ARG    A  1  192 ? -2.370  -11.138 -5.619  1.00 41.97 192 A  1 
ATOM   1510 C CZ  . ARG    A  1  192 ? -3.260  -11.101 -6.596  1.00 39.40 192 A  1 
ATOM   1511 N NH1 . ARG    A  1  192 ? -3.293  -12.054 -7.518  1.00 37.23 192 A  1 
ATOM   1512 N NH2 . ARG    A  1  192 ? -4.131  -10.100 -6.661  1.00 35.38 192 A  1 
ATOM   1513 N N   . ARG    A  1  193 ? 2.897   -8.657  -5.375  1.00 51.58 193 A  1 
ATOM   1514 C CA  . ARG    A  1  193 ? 3.335   -7.306  -5.046  1.00 55.37 193 A  1 
ATOM   1515 C C   . ARG    A  1  193 ? 4.285   -6.749  -6.098  1.00 54.28 193 A  1 
ATOM   1516 O O   . ARG    A  1  193 ? 4.417   -5.534  -6.227  1.00 50.30 193 A  1 
ATOM   1517 C CB  . ARG    A  1  193 ? 4.046   -7.281  -3.697  1.00 52.92 193 A  1 
ATOM   1518 C CG  . ARG    A  1  193 ? 3.149   -7.511  -2.505  1.00 49.23 193 A  1 
ATOM   1519 C CD  . ARG    A  1  193 ? 3.955   -7.463  -1.229  1.00 46.85 193 A  1 
ATOM   1520 N NE  . ARG    A  1  193 ? 3.130   -7.717  -0.047  1.00 42.35 193 A  1 
ATOM   1521 C CZ  . ARG    A  1  193 ? 3.589   -7.790  1.197   1.00 38.92 193 A  1 
ATOM   1522 N NH1 . ARG    A  1  193 ? 4.878   -7.620  1.431   1.00 36.04 193 A  1 
ATOM   1523 N NH2 . ARG    A  1  193 ? 2.761   -8.030  2.198   1.00 34.51 193 A  1 
ATOM   1524 N N   . SER    A  1  194 ? 4.950   -7.622  -6.826  1.00 56.30 194 A  1 
ATOM   1525 C CA  . SER    A  1  194 ? 5.946   -7.199  -7.799  1.00 60.70 194 A  1 
ATOM   1526 C C   . SER    A  1  194 ? 5.422   -7.061  -9.218  1.00 60.49 194 A  1 
ATOM   1527 O O   . SER    A  1  194 ? 6.213   -7.082  -10.146 1.00 55.02 194 A  1 
ATOM   1528 C CB  . SER    A  1  194 ? 7.105   -8.184  -7.794  1.00 56.96 194 A  1 
ATOM   1529 O OG  . SER    A  1  194 ? 6.696   -9.422  -8.331  1.00 51.25 194 A  1 
ATOM   1530 N N   . GLY    A  1  195 ? 4.127   -6.907  -9.361  1.00 61.41 195 A  1 
ATOM   1531 C CA  . GLY    A  1  195 ? 3.626   -6.765  -10.713 1.00 64.93 195 A  1 
ATOM   1532 C C   . GLY    A  1  195 ? 3.204   -5.370  -11.079 1.00 65.61 195 A  1 
ATOM   1533 O O   . GLY    A  1  195 ? 2.125   -4.968  -10.710 1.00 60.08 195 A  1 
ATOM   1534 N N   . CYS    A  1  196 ? 3.992   -4.576  -11.838 1.00 65.08 196 A  1 
ATOM   1535 C CA  . CYS    A  1  196 ? 3.741   -3.371  -12.233 1.00 72.09 196 A  1 
ATOM   1536 C C   . CYS    A  1  196 ? 3.548   -2.982  -13.079 1.00 69.06 196 A  1 
ATOM   1537 O O   . CYS    A  1  196 ? 3.738   -3.265  -12.928 1.00 63.07 196 A  1 
ATOM   1538 C CB  . CYS    A  1  196 ? 4.138   -2.342  -12.510 1.00 68.23 196 A  1 
ATOM   1539 S SG  . CYS    A  1  196 ? 4.044   -1.743  -13.375 1.00 67.04 196 A  1 
ATOM   1540 O OXT . CYS    A  1  196 ? 3.534   -2.202  -13.421 1.00 64.36 196 A  1 
HETATM 1541 C C1  . FAR    B  2  .   ? 4.142   -0.638  -14.723 1.00 23.98 1   B  1 
HETATM 1542 C C2  . FAR    B  2  .   ? 4.337   -0.230  -15.833 1.00 15.92 1   B  1 
HETATM 1543 C C3  . FAR    B  2  .   ? 4.641   -0.711  -16.896 1.00 10.66 1   B  1 
HETATM 1544 C C5  . FAR    B  2  .   ? 4.865   0.045   -17.935 1.00 6.61  1   B  1 
HETATM 1545 C C6  . FAR    B  2  .   ? 4.418   0.583   -18.696 1.00 5.54  1   B  1 
HETATM 1546 C C7  . FAR    B  2  .   ? 4.603   1.401   -19.570 1.00 4.44  1   B  1 
HETATM 1547 C C8  . FAR    B  2  .   ? 3.989   1.964   -20.389 1.00 4.90  1   B  1 
HETATM 1548 C C9  . FAR    B  2  .   ? 4.490   2.854   -21.173 1.00 4.19  1   B  1 
HETATM 1549 C C11 . FAR    B  2  .   ? 4.267   3.573   -22.007 1.00 4.09  1   B  1 
HETATM 1550 C C12 . FAR    B  2  .   ? 4.673   4.482   -22.619 1.00 3.89  1   B  1 
HETATM 1551 C C13 . FAR    B  2  .   ? 4.502   5.240   -23.475 1.00 2.18  1   B  1 
HETATM 1552 C C14 . FAR    B  2  .   ? 3.370   5.239   -24.250 1.00 2.81  1   B  1 
HETATM 1553 C C15 . FAR    B  2  .   ? 5.336   6.239   -23.834 1.00 3.35  1   B  1 
HETATM 1554 C C4  . FAR    B  2  .   ? 4.742   -2.106  -17.071 1.00 8.18  1   B  1 
HETATM 1555 C C10 . FAR    B  2  .   ? 2.623   1.672   -20.480 1.00 4.31  1   B  1 
HETATM 1556 C C1  . LIG_C  C  3  .   ? 2.870   18.423  -20.260 1.00 2.10  1   C  1 
HETATM 1557 C C2  . LIG_C  C  3  .   ? 3.425   17.901  -19.782 1.00 2.09  1   C  1 
HETATM 1558 C C3  . LIG_C  C  3  .   ? 3.633   17.412  -18.819 1.00 1.99  1   C  1 
HETATM 1559 C C4  . LIG_C  C  3  .   ? 3.603   17.046  -17.831 1.00 2.20  1   C  1 
HETATM 1560 C C5  . LIG_C  C  3  .   ? 3.491   16.697  -16.806 1.00 2.05  1   C  1 
HETATM 1561 C C6  . LIG_C  C  3  .   ? 3.269   16.372  -15.795 1.00 1.80  1   C  1 
HETATM 1562 C C7  . LIG_C  C  3  .   ? 3.059   16.041  -14.783 1.00 1.81  1   C  1 
HETATM 1563 C C8  . LIG_C  C  3  .   ? 2.841   15.703  -13.770 1.00 1.80  1   C  1 
HETATM 1564 C C9  . LIG_C  C  3  .   ? 2.639   15.359  -12.768 1.00 1.92  1   C  1 
HETATM 1565 C C10 . LIG_C  C  3  .   ? 2.451   14.968  -11.723 1.00 1.97  1   C  1 
HETATM 1566 C C11 . LIG_C  C  3  .   ? 2.304   14.568  -10.707 1.00 1.93  1   C  1 
HETATM 1567 C C12 . LIG_C  C  3  .   ? 2.139   14.150  -9.670  1.00 2.08  1   C  1 
HETATM 1568 C C13 . LIG_C  C  3  .   ? 2.020   13.785  -8.626  1.00 1.62  1   C  1 
HETATM 1569 C C14 . LIG_C  C  3  .   ? 1.848   13.323  -7.610  1.00 1.59  1   C  1 
HETATM 1570 C C15 . LIG_C  C  3  .   ? 1.768   12.969  -6.587  1.00 1.56  1   C  1 
HETATM 1571 C C16 . LIG_C  C  3  .   ? 1.550   12.374  -5.608  1.00 1.54  1   C  1 
HETATM 1572 C C17 . LIG_C  C  3  .   ? 1.553   11.989  -4.597  1.00 1.34  1   C  1 
HETATM 1573 C C18 . LIG_C  C  3  .   ? 1.155   11.067  -3.772  1.00 1.43  1   C  1 
HETATM 1574 O O1  . LIG_C  C  3  .   ? 1.853   10.621  -2.954  1.00 2.00  1   C  1 
HETATM 1575 O O2  . LIG_C  C  3  .   ? 0.011   10.723  -3.979  1.00 1.94  1   C  1 
HETATM 1576 C C19 . LIG_C  C  3  .   ? -0.467  9.697   -3.316  1.00 1.35  1   C  1 
HETATM 1577 C C20 . LIG_C  C  3  .   ? -1.832  9.401   -3.749  1.00 1.36  1   C  1 
HETATM 1578 C C21 . LIG_C  C  3  .   ? -2.288  8.139   -3.155  1.00 1.44  1   C  1 
HETATM 1579 O O3  . LIG_C  C  3  .   ? -2.395  8.299   -1.854  1.00 1.41  1   C  1 
HETATM 1580 P P1  . LIG_C  C  3  .   ? -2.729  7.137   -0.960  1.00 1.41  1   C  1 
HETATM 1581 O O4  . LIG_C  C  3  .   ? -3.169  7.690   0.291   1.00 1.24  1   C  1 
HETATM 1582 O O5  . LIG_C  C  3  .   ? -3.440  6.115   -1.581  1.00 1.31  1   C  1 
HETATM 1583 O O6  . LIG_C  C  3  .   ? -1.323  6.595   -0.786  1.00 1.42  1   C  1 
HETATM 1584 C C22 . LIG_C  C  3  .   ? -0.848  6.107   0.233   1.00 1.53  1   C  1 
HETATM 1585 C C23 . LIG_C  C  3  .   ? 0.410   5.664   -0.017  1.00 1.44  1   C  1 
HETATM 1586 N N1  . LIG_C  C  3  .   ? 1.475   6.437   0.301   1.00 2.41  1   C  1 
HETATM 1587 C C24 . LIG_C  C  3  .   ? 2.147   5.790   1.337   1.00 1.52  1   C  1 
HETATM 1588 C C25 . LIG_C  C  3  .   ? 1.102   7.732   0.725   1.00 1.44  1   C  1 
HETATM 1589 C C26 . LIG_C  C  3  .   ? 2.267   6.561   -0.827  1.00 1.53  1   C  1 
HETATM 1590 O O7  . LIG_C  C  3  .   ? -1.826  9.238   -5.097  1.00 1.63  1   C  1 
HETATM 1591 C C27 . LIG_C  C  3  .   ? -2.362  10.173  -5.733  1.00 1.59  1   C  1 
HETATM 1592 O O8  . LIG_C  C  3  .   ? -3.091  10.952  -5.211  1.00 1.75  1   C  1 
HETATM 1593 C C28 . LIG_C  C  3  .   ? -2.028  10.234  -6.978  1.00 1.51  1   C  1 
HETATM 1594 C C29 . LIG_C  C  3  .   ? -1.977  10.976  -7.817  1.00 1.66  1   C  1 
HETATM 1595 C C30 . LIG_C  C  3  .   ? -1.812  11.506  -8.791  1.00 1.75  1   C  1 
HETATM 1596 C C31 . LIG_C  C  3  .   ? -1.707  12.170  -9.689  1.00 1.67  1   C  1 
HETATM 1597 C C32 . LIG_C  C  3  .   ? -1.577  12.766  -10.619 1.00 1.85  1   C  1 
HETATM 1598 C C33 . LIG_C  C  3  .   ? -1.460  13.405  -11.544 1.00 1.73  1   C  1 
HETATM 1599 C C34 . LIG_C  C  3  .   ? -1.319  14.010  -12.497 1.00 1.71  1   C  1 
HETATM 1600 C C35 . LIG_C  C  3  .   ? -1.165  14.628  -13.448 1.00 1.71  1   C  1 
HETATM 1601 C C36 . LIG_C  C  3  .   ? -0.962  15.218  -14.398 1.00 1.75  1   C  1 
HETATM 1602 C C37 . LIG_C  C  3  .   ? -0.733  15.817  -15.354 1.00 1.76  1   C  1 
HETATM 1603 C C38 . LIG_C  C  3  .   ? -0.452  16.403  -16.301 1.00 1.60  1   C  1 
HETATM 1604 C C39 . LIG_C  C  3  .   ? -0.138  16.999  -17.241 1.00 1.78  1   C  1 
HETATM 1605 C C40 . LIG_C  C  3  .   ? 0.241   17.568  -18.169 1.00 1.82  1   C  1 
HETATM 1606 C C41 . LIG_C  C  3  .   ? 0.649   18.129  -19.080 1.00 1.53  1   C  1 
HETATM 1607 C C42 . LIG_C  C  3  .   ? 1.076   18.659  -19.950 1.00 1.55  1   C  1 
HETATM 1608 C C43 . LIG_C  C  3  .   ? 1.444   19.233  -20.812 1.00 1.36  1   C  1 
HETATM 1609 C C44 . LIG_C  C  3  .   ? 1.797   19.861  -21.749 1.00 1.40  1   C  1 
HETATM 1610 C C1  . LIG_D  D  4  .   ? -10.703 16.781  -20.797 1.00 2.34  1   D  1 
HETATM 1611 C C2  . LIG_D  D  4  .   ? -11.618 16.506  -21.141 1.00 2.31  1   D  1 
HETATM 1612 C C3  . LIG_D  D  4  .   ? -12.399 15.868  -20.692 1.00 1.99  1   D  1 
HETATM 1613 C C4  . LIG_D  D  4  .   ? -12.848 15.267  -19.921 1.00 2.32  1   D  1 
HETATM 1614 C C5  . LIG_D  D  4  .   ? -13.237 14.661  -19.086 1.00 2.09  1   D  1 
HETATM 1615 C C6  . LIG_D  D  4  .   ? -13.444 14.129  -18.141 1.00 1.75  1   D  1 
HETATM 1616 C C7  . LIG_D  D  4  .   ? -13.559 13.639  -17.178 1.00 1.77  1   D  1 
HETATM 1617 C C8  . LIG_D  D  4  .   ? -13.602 13.194  -16.180 1.00 1.72  1   D  1 
HETATM 1618 C C9  . LIG_D  D  4  .   ? -13.619 12.768  -15.181 1.00 1.87  1   D  1 
HETATM 1619 C C10 . LIG_D  D  4  .   ? -13.612 12.332  -14.129 1.00 1.90  1   D  1 
HETATM 1620 C C11 . LIG_D  D  4  .   ? -13.588 11.916  -13.098 1.00 1.89  1   D  1 
HETATM 1621 C C12 . LIG_D  D  4  .   ? -13.550 11.491  -12.047 1.00 2.03  1   D  1 
HETATM 1622 C C13 . LIG_D  D  4  .   ? -13.456 11.047  -11.016 1.00 1.56  1   D  1 
HETATM 1623 C C14 . LIG_D  D  4  .   ? -13.368 10.592  -9.966  1.00 1.56  1   D  1 
HETATM 1624 C C15 . LIG_D  D  4  .   ? -13.215 10.147  -8.965  1.00 1.50  1   D  1 
HETATM 1625 C C16 . LIG_D  D  4  .   ? -13.173 9.678   -7.904  1.00 1.53  1   D  1 
HETATM 1626 C C17 . LIG_D  D  4  .   ? -12.865 9.216   -6.989  1.00 1.33  1   D  1 
HETATM 1627 C C18 . LIG_D  D  4  .   ? -13.148 8.736   -5.826  1.00 1.41  1   D  1 
HETATM 1628 O O1  . LIG_D  D  4  .   ? -14.250 8.645   -5.468  1.00 1.93  1   D  1 
HETATM 1629 O O2  . LIG_D  D  4  .   ? -12.180 8.396   -5.152  1.00 1.91  1   D  1 
HETATM 1630 C C19 . LIG_D  D  4  .   ? -12.435 7.986   -3.927  1.00 1.33  1   D  1 
HETATM 1631 C C20 . LIG_D  D  4  .   ? -11.278 8.106   -3.074  1.00 1.35  1   D  1 
HETATM 1632 C C21 . LIG_D  D  4  .   ? -11.657 8.006   -1.656  1.00 1.45  1   D  1 
HETATM 1633 O O3  . LIG_D  D  4  .   ? -11.800 6.748   -1.313  1.00 1.47  1   D  1 
HETATM 1634 P P1  . LIG_D  D  4  .   ? -12.119 6.379   0.133   1.00 1.37  1   D  1 
HETATM 1635 O O4  . LIG_D  D  4  .   ? -12.954 7.353   0.718   1.00 1.27  1   D  1 
HETATM 1636 O O5  . LIG_D  D  4  .   ? -10.956 5.965   0.792   1.00 1.31  1   D  1 
HETATM 1637 O O6  . LIG_D  D  4  .   ? -12.931 5.130   -0.199  1.00 1.40  1   D  1 
HETATM 1638 C C22 . LIG_D  D  4  .   ? -13.896 4.709   0.365   1.00 1.59  1   D  1 
HETATM 1639 C C23 . LIG_D  D  4  .   ? -14.852 4.312   -0.468  1.00 1.51  1   D  1 
HETATM 1640 N N1  . LIG_D  D  4  .   ? -15.605 3.276   -0.139  1.00 2.52  1   D  1 
HETATM 1641 C C24 . LIG_D  D  4  .   ? -16.393 3.213   0.325   1.00 1.69  1   D  1 
HETATM 1642 C C25 . LIG_D  D  4  .   ? -16.251 3.475   0.579   1.00 1.73  1   D  1 
HETATM 1643 C C26 . LIG_D  D  4  .   ? -15.258 2.193   -0.844  1.00 1.86  1   D  1 
HETATM 1644 O O7  . LIG_D  D  4  .   ? -10.719 9.368   -3.217  1.00 1.53  1   D  1 
HETATM 1645 C C27 . LIG_D  D  4  .   ? -9.596  9.412   -3.759  1.00 1.53  1   D  1 
HETATM 1646 O O8  . LIG_D  D  4  .   ? -8.936  8.440   -3.907  1.00 1.66  1   D  1 
HETATM 1647 C C28 . LIG_D  D  4  .   ? -9.272  10.581  -4.248  1.00 1.48  1   D  1 
HETATM 1648 C C29 . LIG_D  D  4  .   ? -9.100  10.934  -5.331  1.00 1.60  1   D  1 
HETATM 1649 C C30 . LIG_D  D  4  .   ? -9.000  11.500  -6.290  1.00 1.63  1   D  1 
HETATM 1650 C C31 . LIG_D  D  4  .   ? -8.939  11.931  -7.332  1.00 1.62  1   D  1 
HETATM 1651 C C32 . LIG_D  D  4  .   ? -8.899  12.394  -8.340  1.00 1.82  1   D  1 
HETATM 1652 C C33 . LIG_D  D  4  .   ? -8.864  12.792  -9.394  1.00 1.63  1   D  1 
HETATM 1653 C C34 . LIG_D  D  4  .   ? -8.782  13.201  -10.450 1.00 1.61  1   D  1 
HETATM 1654 C C35 . LIG_D  D  4  .   ? -8.699  13.604  -11.516 1.00 1.60  1   D  1 
HETATM 1655 C C36 . LIG_D  D  4  .   ? -8.662  14.009  -12.585 1.00 1.67  1   D  1 
HETATM 1656 C C37 . LIG_D  D  4  .   ? -8.652  14.430  -13.661 1.00 1.66  1   D  1 
HETATM 1657 C C38 . LIG_D  D  4  .   ? -8.692  14.874  -14.737 1.00 1.52  1   D  1 
HETATM 1658 C C39 . LIG_D  D  4  .   ? -8.766  15.337  -15.822 1.00 1.60  1   D  1 
HETATM 1659 C C40 . LIG_D  D  4  .   ? -8.869  15.823  -16.881 1.00 1.79  1   D  1 
HETATM 1660 C C41 . LIG_D  D  4  .   ? -8.980  16.314  -17.912 1.00 1.55  1   D  1 
HETATM 1661 C C42 . LIG_D  D  4  .   ? -9.057  16.821  -18.880 1.00 1.56  1   D  1 
HETATM 1662 C C43 . LIG_D  D  4  .   ? -9.073  17.347  -19.813 1.00 1.39  1   D  1 
HETATM 1663 C C44 . LIG_D  D  4  .   ? -8.941  18.019  -20.797 1.00 1.42  1   D  1 
HETATM 1664 C C1  . LIG_E  E  5  .   ? 26.382  20.802  -17.052 1.00 1.95  1   E  1 
HETATM 1665 C C2  . LIG_E  E  5  .   ? 25.445  20.831  -17.141 1.00 2.15  1   E  1 
HETATM 1666 C C3  . LIG_E  E  5  .   ? 24.694  20.189  -16.696 1.00 2.02  1   E  1 
HETATM 1667 C C4  . LIG_E  E  5  .   ? 24.336  19.436  -16.037 1.00 2.20  1   E  1 
HETATM 1668 C C5  . LIG_E  E  5  .   ? 24.052  18.685  -15.291 1.00 2.02  1   E  1 
HETATM 1669 C C6  . LIG_E  E  5  .   ? 23.951  17.996  -14.432 1.00 1.73  1   E  1 
HETATM 1670 C C7  . LIG_E  E  5  .   ? 23.925  17.396  -13.528 1.00 1.70  1   E  1 
HETATM 1671 C C8  . LIG_E  E  5  .   ? 24.008  16.874  -12.570 1.00 1.63  1   E  1 
HETATM 1672 C C9  . LIG_E  E  5  .   ? 24.149  16.418  -11.602 1.00 1.75  1   E  1 
HETATM 1673 C C10 . LIG_E  E  5  .   ? 24.326  15.979  -10.583 1.00 1.82  1   E  1 
HETATM 1674 C C11 . LIG_E  E  5  .   ? 24.558  15.595  -9.584  1.00 1.75  1   E  1 
HETATM 1675 C C12 . LIG_E  E  5  .   ? 24.841  15.183  -8.579  1.00 1.88  1   E  1 
HETATM 1676 C C13 . LIG_E  E  5  .   ? 25.183  14.779  -7.613  1.00 1.49  1   E  1 
HETATM 1677 C C14 . LIG_E  E  5  .   ? 25.546  14.265  -6.676  1.00 1.48  1   E  1 
HETATM 1678 C C15 . LIG_E  E  5  .   ? 25.958  13.833  -5.773  1.00 1.43  1   E  1 
HETATM 1679 C C16 . LIG_E  E  5  .   ? 26.350  13.237  -4.877  1.00 1.43  1   E  1 
HETATM 1680 C C17 . LIG_E  E  5  .   ? 26.826  12.907  -4.005  1.00 1.30  1   E  1 
HETATM 1681 C C18 . LIG_E  E  5  .   ? 27.188  12.031  -3.151  1.00 1.32  1   E  1 
HETATM 1682 O O1  . LIG_E  E  5  .   ? 27.919  12.316  -2.287  1.00 1.79  1   E  1 
HETATM 1683 O O2  . LIG_E  E  5  .   ? 26.702  10.934  -3.315  1.00 1.72  1   E  1 
HETATM 1684 C C19 . LIG_E  E  5  .   ? 27.101  10.016  -2.511  1.00 1.26  1   E  1 
HETATM 1685 C C20 . LIG_E  E  5  .   ? 26.504  8.728   -2.789  1.00 1.28  1   E  1 
HETATM 1686 C C21 . LIG_E  E  5  .   ? 27.212  7.757   -1.933  1.00 1.29  1   E  1 
HETATM 1687 O O3  . LIG_E  E  5  .   ? 26.373  7.099   -1.158  1.00 1.32  1   E  1 
HETATM 1688 P P1  . LIG_E  E  5  .   ? 26.899  6.150   -0.090  1.00 1.22  1   E  1 
HETATM 1689 O O4  . LIG_E  E  5  .   ? 25.788  5.574   0.559   1.00 1.20  1   E  1 
HETATM 1690 O O5  . LIG_E  E  5  .   ? 27.897  6.769   0.682   1.00 1.20  1   E  1 
HETATM 1691 O O6  . LIG_E  E  5  .   ? 27.582  5.112   -1.016  1.00 1.27  1   E  1 
HETATM 1692 C C22 . LIG_E  E  5  .   ? 27.215  3.919   -1.289  1.00 1.38  1   E  1 
HETATM 1693 C C23 . LIG_E  E  5  .   ? 27.764  3.493   -2.498  1.00 1.32  1   E  1 
HETATM 1694 N N1  . LIG_E  E  5  .   ? 29.130  3.292   -2.599  1.00 2.18  1   E  1 
HETATM 1695 C C24 . LIG_E  E  5  .   ? 29.600  2.569   -1.474  1.00 1.35  1   E  1 
HETATM 1696 C C25 . LIG_E  E  5  .   ? 29.380  2.581   -3.739  1.00 1.39  1   E  1 
HETATM 1697 C C26 . LIG_E  E  5  .   ? 29.799  4.512   -2.696  1.00 1.42  1   E  1 
HETATM 1698 O O7  . LIG_E  E  5  .   ? 26.688  8.389   -4.093  1.00 1.43  1   E  1 
HETATM 1699 C C27 . LIG_E  E  5  .   ? 25.735  7.876   -4.709  1.00 1.41  1   E  1 
HETATM 1700 O O8  . LIG_E  E  5  .   ? 24.911  7.202   -4.191  1.00 1.53  1   E  1 
HETATM 1701 C C28 . LIG_E  E  5  .   ? 25.723  8.165   -5.955  1.00 1.40  1   E  1 
HETATM 1702 C C29 . LIG_E  E  5  .   ? 25.998  8.970   -6.664  1.00 1.56  1   E  1 
HETATM 1703 C C30 . LIG_E  E  5  .   ? 26.159  9.618   -7.569  1.00 1.62  1   E  1 
HETATM 1704 C C31 . LIG_E  E  5  .   ? 26.386  10.387  -8.335  1.00 1.52  1   E  1 
HETATM 1705 C C32 . LIG_E  E  5  .   ? 26.618  11.120  -9.124  1.00 1.76  1   E  1 
HETATM 1706 C C33 . LIG_E  E  5  .   ? 26.881  11.908  -9.862  1.00 1.61  1   E  1 
HETATM 1707 C C34 . LIG_E  E  5  .   ? 27.137  12.701  -10.615 1.00 1.58  1   E  1 
HETATM 1708 C C35 . LIG_E  E  5  .   ? 27.379  13.516  -11.354 1.00 1.59  1   E  1 
HETATM 1709 C C36 . LIG_E  E  5  .   ? 27.580  14.349  -12.092 1.00 1.62  1   E  1 
HETATM 1710 C C37 . LIG_E  E  5  .   ? 27.755  15.204  -12.816 1.00 1.63  1   E  1 
HETATM 1711 C C38 . LIG_E  E  5  .   ? 27.919  16.072  -13.520 1.00 1.48  1   E  1 
HETATM 1712 C C39 . LIG_E  E  5  .   ? 28.065  16.967  -14.225 1.00 1.59  1   E  1 
HETATM 1713 C C40 . LIG_E  E  5  .   ? 28.155  17.851  -14.923 1.00 1.68  1   E  1 
HETATM 1714 C C41 . LIG_E  E  5  .   ? 28.205  18.737  -15.618 1.00 1.51  1   E  1 
HETATM 1715 C C42 . LIG_E  E  5  .   ? 28.231  19.576  -16.304 1.00 1.58  1   E  1 
HETATM 1716 C C43 . LIG_E  E  5  .   ? 28.287  20.397  -16.992 1.00 1.39  1   E  1 
HETATM 1717 C C44 . LIG_E  E  5  .   ? 28.451  21.296  -17.744 1.00 1.47  1   E  1 
HETATM 1718 C C1  . LIG_F  F  6  .   ? -1.458  21.661  -18.815 1.00 2.12  1   F  1 
HETATM 1719 C C2  . LIG_F  F  6  .   ? -2.074  21.154  -18.447 1.00 2.09  1   F  1 
HETATM 1720 C C3  . LIG_F  F  6  .   ? -2.561  20.571  -17.662 1.00 1.84  1   F  1 
HETATM 1721 C C4  . LIG_F  F  6  .   ? -2.985  20.052  -16.835 1.00 2.20  1   F  1 
HETATM 1722 C C5  . LIG_F  F  6  .   ? -3.354  19.563  -15.947 1.00 2.05  1   F  1 
HETATM 1723 C C6  . LIG_F  F  6  .   ? -3.670  19.107  -15.029 1.00 1.79  1   F  1 
HETATM 1724 C C7  . LIG_F  F  6  .   ? -3.946  18.675  -14.091 1.00 1.80  1   F  1 
HETATM 1725 C C8  . LIG_F  F  6  .   ? -4.183  18.257  -13.133 1.00 1.78  1   F  1 
HETATM 1726 C C9  . LIG_F  F  6  .   ? -4.393  17.818  -12.182 1.00 1.93  1   F  1 
HETATM 1727 C C10 . LIG_F  F  6  .   ? -4.576  17.344  -11.183 1.00 1.94  1   F  1 
HETATM 1728 C C11 . LIG_F  F  6  .   ? -4.755  16.868  -10.220 1.00 1.93  1   F  1 
HETATM 1729 C C12 . LIG_F  F  6  .   ? -4.919  16.375  -9.229  1.00 2.05  1   F  1 
HETATM 1730 C C13 . LIG_F  F  6  .   ? -5.148  15.866  -8.282  1.00 1.61  1   F  1 
HETATM 1731 C C14 . LIG_F  F  6  .   ? -5.328  15.358  -7.289  1.00 1.57  1   F  1 
HETATM 1732 C C15 . LIG_F  F  6  .   ? -5.643  14.824  -6.417  1.00 1.50  1   F  1 
HETATM 1733 C C16 . LIG_F  F  6  .   ? -5.802  14.327  -5.379  1.00 1.50  1   F  1 
HETATM 1734 C C17 . LIG_F  F  6  .   ? -6.320  13.813  -4.575  1.00 1.32  1   F  1 
HETATM 1735 C C18 . LIG_F  F  6  .   ? -6.307  13.423  -3.357  1.00 1.37  1   F  1 
HETATM 1736 O O1  . LIG_F  F  6  .   ? -7.277  13.293  -2.731  1.00 1.86  1   F  1 
HETATM 1737 O O2  . LIG_F  F  6  .   ? -5.168  13.236  -2.952  1.00 1.75  1   F  1 
HETATM 1738 C C19 . LIG_F  F  6  .   ? -4.989  13.067  -1.675  1.00 1.28  1   F  1 
HETATM 1739 C C20 . LIG_F  F  6  .   ? -3.579  13.100  -1.339  1.00 1.27  1   F  1 
HETATM 1740 C C21 . LIG_F  F  6  .   ? -3.413  13.269  0.120   1.00 1.28  1   F  1 
HETATM 1741 O O3  . LIG_F  F  6  .   ? -4.363  12.578  0.724   1.00 1.32  1   F  1 
HETATM 1742 P P1  . LIG_F  F  6  .   ? -4.475  12.528  2.251   1.00 1.25  1   F  1 
HETATM 1743 O O4  . LIG_F  F  6  .   ? -3.497  11.607  2.732   1.00 1.18  1   F  1 
HETATM 1744 O O5  . LIG_F  F  6  .   ? -4.569  13.797  2.799   1.00 1.20  1   F  1 
HETATM 1745 O O6  . LIG_F  F  6  .   ? -5.867  11.884  2.311   1.00 1.27  1   F  1 
HETATM 1746 C C22 . LIG_F  F  6  .   ? -6.117  10.696  2.634   1.00 1.36  1   F  1 
HETATM 1747 C C23 . LIG_F  F  6  .   ? -7.253  10.217  1.993   1.00 1.29  1   F  1 
HETATM 1748 N N1  . LIG_F  F  6  .   ? -7.105  9.336   0.945   1.00 2.03  1   F  1 
HETATM 1749 C C24 . LIG_F  F  6  .   ? -6.090  8.407   1.255   1.00 1.32  1   F  1 
HETATM 1750 C C25 . LIG_F  F  6  .   ? -8.304  8.677   0.740   1.00 1.33  1   F  1 
HETATM 1751 C C26 . LIG_F  F  6  .   ? -6.762  10.037  -0.233  1.00 1.39  1   F  1 
HETATM 1752 O O7  . LIG_F  F  6  .   ? -3.031  14.199  -1.949  1.00 1.48  1   F  1 
HETATM 1753 C C27 . LIG_F  F  6  .   ? -2.053  13.964  -2.696  1.00 1.47  1   F  1 
HETATM 1754 O O8  . LIG_F  F  6  .   ? -1.383  12.998  -2.546  1.00 1.63  1   F  1 
HETATM 1755 C C28 . LIG_F  F  6  .   ? -1.868  14.829  -3.652  1.00 1.44  1   F  1 
HETATM 1756 C C29 . LIG_F  F  6  .   ? -1.574  14.997  -4.707  1.00 1.55  1   F  1 
HETATM 1757 C C30 . LIG_F  F  6  .   ? -1.366  15.519  -5.713  1.00 1.56  1   F  1 
HETATM 1758 C C31 . LIG_F  F  6  .   ? -1.136  15.925  -6.729  1.00 1.56  1   F  1 
HETATM 1759 C C32 . LIG_F  F  6  .   ? -0.913  16.430  -7.722  1.00 1.74  1   F  1 
HETATM 1760 C C33 . LIG_F  F  6  .   ? -0.697  16.916  -8.720  1.00 1.65  1   F  1 
HETATM 1761 C C34 . LIG_F  F  6  .   ? -0.484  17.435  -9.724  1.00 1.61  1   F  1 
HETATM 1762 C C35 . LIG_F  F  6  .   ? -0.286  17.951  -10.719 1.00 1.58  1   F  1 
HETATM 1763 C C36 . LIG_F  F  6  .   ? -0.125  18.472  -11.722 1.00 1.62  1   F  1 
HETATM 1764 C C37 . LIG_F  F  6  .   ? 0.009   19.002  -12.732 1.00 1.63  1   F  1 
HETATM 1765 C C38 . LIG_F  F  6  .   ? 0.105   19.544  -13.734 1.00 1.51  1   F  1 
HETATM 1766 C C39 . LIG_F  F  6  .   ? 0.167   20.092  -14.745 1.00 1.62  1   F  1 
HETATM 1767 C C40 . LIG_F  F  6  .   ? 0.171   20.642  -15.741 1.00 1.68  1   F  1 
HETATM 1768 C C41 . LIG_F  F  6  .   ? 0.112   21.211  -16.735 1.00 1.49  1   F  1 
HETATM 1769 C C42 . LIG_F  F  6  .   ? 0.031   21.771  -17.665 1.00 1.50  1   F  1 
HETATM 1770 C C43 . LIG_F  F  6  .   ? -0.015  22.380  -18.582 1.00 1.33  1   F  1 
HETATM 1771 C C44 . LIG_F  F  6  .   ? 0.021   23.081  -19.541 1.00 1.39  1   F  1 
HETATM 1772 C C1  . LIG_G  G  7  .   ? -1.076  13.976  -22.245 1.00 2.29  1   G  1 
HETATM 1773 C C2  . LIG_G  G  7  .   ? -0.875  13.386  -23.017 1.00 2.13  1   G  1 
HETATM 1774 C C3  . LIG_G  G  7  .   ? -0.840  12.305  -22.936 1.00 2.02  1   G  1 
HETATM 1775 C C4  . LIG_G  G  7  .   ? -0.872  11.453  -22.337 1.00 2.29  1   G  1 
HETATM 1776 C C5  . LIG_G  G  7  .   ? -0.921  10.653  -21.628 1.00 2.20  1   G  1 
HETATM 1777 C C6  . LIG_G  G  7  .   ? -0.997  10.008  -20.790 1.00 1.93  1   G  1 
HETATM 1778 C C7  . LIG_G  G  7  .   ? -1.039  9.449   -19.898 1.00 1.98  1   G  1 
HETATM 1779 C C8  . LIG_G  G  7  .   ? -1.048  8.957   -18.960 1.00 1.91  1   G  1 
HETATM 1780 C C9  . LIG_G  G  7  .   ? -1.031  8.487   -18.022 1.00 2.07  1   G  1 
HETATM 1781 C C10 . LIG_G  G  7  .   ? -0.982  7.982   -17.050 1.00 2.16  1   G  1 
HETATM 1782 C C11 . LIG_G  G  7  .   ? -0.915  7.464   -16.102 1.00 2.08  1   G  1 
HETATM 1783 C C12 . LIG_G  G  7  .   ? -0.839  6.890   -15.160 1.00 2.23  1   G  1 
HETATM 1784 C C13 . LIG_G  G  7  .   ? -0.773  6.309   -14.211 1.00 1.71  1   G  1 
HETATM 1785 C C14 . LIG_G  G  7  .   ? -0.744  5.654   -13.298 1.00 1.72  1   G  1 
HETATM 1786 C C15 . LIG_G  G  7  .   ? -0.728  5.064   -12.379 1.00 1.70  1   G  1 
HETATM 1787 C C16 . LIG_G  G  7  .   ? -0.759  4.275   -11.564 1.00 1.79  1   G  1 
HETATM 1788 C C17 . LIG_G  G  7  .   ? -0.872  3.753   -10.637 1.00 1.57  1   G  1 
HETATM 1789 C C18 . LIG_G  G  7  .   ? -1.048  2.588   -10.110 1.00 1.74  1   G  1 
HETATM 1790 O O1  . LIG_G  G  7  .   ? -0.760  1.628   -10.705 1.00 2.87  1   G  1 
HETATM 1791 O O2  . LIG_G  G  7  .   ? -1.550  2.566   -9.022  1.00 2.46  1   G  1 
HETATM 1792 C C19 . LIG_G  G  7  .   ? -1.871  1.387   -8.540  1.00 1.88  1   G  1 
HETATM 1793 C C20 . LIG_G  G  7  .   ? -2.856  1.530   -7.471  1.00 1.79  1   G  1 
HETATM 1794 C C21 . LIG_G  G  7  .   ? -3.166  0.214   -6.902  1.00 1.91  1   G  1 
HETATM 1795 O O3  . LIG_G  G  7  .   ? -3.138  0.295   -5.597  1.00 1.80  1   G  1 
HETATM 1796 P P1  . LIG_G  G  7  .   ? -3.243  -0.937  -4.744  1.00 1.72  1   G  1 
HETATM 1797 O O4  . LIG_G  G  7  .   ? -1.997  -1.158  -4.052  1.00 1.57  1   G  1 
HETATM 1798 O O5  . LIG_G  G  7  .   ? -3.846  -1.995  -5.397  1.00 1.68  1   G  1 
HETATM 1799 O O6  . LIG_G  G  7  .   ? -4.164  -0.373  -3.619  1.00 1.77  1   G  1 
HETATM 1800 C C22 . LIG_G  G  7  .   ? -5.371  -0.377  -3.665  1.00 2.24  1   G  1 
HETATM 1801 C C23 . LIG_G  G  7  .   ? -5.964  -0.001  -2.494  1.00 1.92  1   G  1 
HETATM 1802 N N1  . LIG_G  G  7  .   ? -7.306  0.170   -2.525  1.00 2.96  1   G  1 
HETATM 1803 C C24 . LIG_G  G  7  .   ? -7.743  0.375   -1.206  1.00 2.38  1   G  1 
HETATM 1804 C C25 . LIG_G  G  7  .   ? -7.605  1.279   -3.333  1.00 2.22  1   G  1 
HETATM 1805 C C26 . LIG_G  G  7  .   ? -7.928  -0.985  -3.054  1.00 2.67  1   G  1 
HETATM 1806 O O7  . LIG_G  G  7  .   ? -4.011  2.067   -8.001  1.00 1.88  1   G  1 
HETATM 1807 C C27 . LIG_G  G  7  .   ? -4.358  3.194   -7.582  1.00 1.81  1   G  1 
HETATM 1808 O O8  . LIG_G  G  7  .   ? -3.983  3.600   -6.526  1.00 1.85  1   G  1 
HETATM 1809 C C28 . LIG_G  G  7  .   ? -5.074  3.894   -8.428  1.00 1.67  1   G  1 
HETATM 1810 C C29 . LIG_G  G  7  .   ? -4.835  4.687   -9.229  1.00 1.78  1   G  1 
HETATM 1811 C C30 . LIG_G  G  7  .   ? -4.902  5.435   -10.080 1.00 1.86  1   G  1 
HETATM 1812 C C31 . LIG_G  G  7  .   ? -4.766  6.199   -10.898 1.00 1.71  1   G  1 
HETATM 1813 C C32 . LIG_G  G  7  .   ? -4.696  6.951   -11.721 1.00 2.02  1   G  1 
HETATM 1814 C C33 . LIG_G  G  7  .   ? -4.537  7.712   -12.532 1.00 1.86  1   G  1 
HETATM 1815 C C34 . LIG_G  G  7  .   ? -4.348  8.489   -13.343 1.00 1.85  1   G  1 
HETATM 1816 C C35 . LIG_G  G  7  .   ? -4.105  9.270   -14.130 1.00 1.82  1   G  1 
HETATM 1817 C C36 . LIG_G  G  7  .   ? -3.824  10.054  -14.918 1.00 1.97  1   G  1 
HETATM 1818 C C37 . LIG_G  G  7  .   ? -3.505  10.835  -15.716 1.00 1.91  1   G  1 
HETATM 1819 C C38 . LIG_G  G  7  .   ? -3.192  11.603  -16.528 1.00 1.70  1   G  1 
HETATM 1820 C C39 . LIG_G  G  7  .   ? -2.886  12.368  -17.384 1.00 1.82  1   G  1 
HETATM 1821 C C40 . LIG_G  G  7  .   ? -2.579  13.093  -18.239 1.00 1.94  1   G  1 
HETATM 1822 C C41 . LIG_G  G  7  .   ? -2.279  13.788  -19.118 1.00 1.57  1   G  1 
HETATM 1823 C C42 . LIG_G  G  7  .   ? -2.003  14.426  -19.954 1.00 1.56  1   G  1 
HETATM 1824 C C43 . LIG_G  G  7  .   ? -1.755  15.116  -20.770 1.00 1.38  1   G  1 
HETATM 1825 C C44 . LIG_G  G  7  .   ? -1.514  15.949  -21.593 1.00 1.42  1   G  1 
HETATM 1826 C C1  . LIG_H  H  8  .   ? 12.629  8.786   -25.609 1.00 2.03  1   H  1 
HETATM 1827 C C2  . LIG_H  H  8  .   ? 12.507  9.021   -24.745 1.00 2.20  1   H  1 
HETATM 1828 C C3  . LIG_H  H  8  .   ? 12.489  8.912   -23.646 1.00 2.18  1   H  1 
HETATM 1829 C C4  . LIG_H  H  8  .   ? 12.527  8.649   -22.595 1.00 2.42  1   H  1 
HETATM 1830 C C5  . LIG_H  H  8  .   ? 12.573  8.320   -21.551 1.00 2.22  1   H  1 
HETATM 1831 C C6  . LIG_H  H  8  .   ? 12.635  7.900   -20.538 1.00 1.96  1   H  1 
HETATM 1832 C C7  . LIG_H  H  8  .   ? 12.690  7.433   -19.552 1.00 1.98  1   H  1 
HETATM 1833 C C8  . LIG_H  H  8  .   ? 12.744  6.908   -18.583 1.00 1.90  1   H  1 
HETATM 1834 C C9  . LIG_H  H  8  .   ? 12.798  6.351   -17.644 1.00 2.03  1   H  1 
HETATM 1835 C C10 . LIG_H  H  8  .   ? 12.843  5.717   -16.693 1.00 2.02  1   H  1 
HETATM 1836 C C11 . LIG_H  H  8  .   ? 12.887  5.050   -15.799 1.00 2.04  1   H  1 
HETATM 1837 C C12 . LIG_H  H  8  .   ? 12.937  4.338   -14.900 1.00 2.21  1   H  1 
HETATM 1838 C C13 . LIG_H  H  8  .   ? 13.004  3.633   -14.018 1.00 1.69  1   H  1 
HETATM 1839 C C14 . LIG_H  H  8  .   ? 13.045  2.888   -13.129 1.00 1.68  1   H  1 
HETATM 1840 C C15 . LIG_H  H  8  .   ? 13.130  2.188   -12.280 1.00 1.66  1   H  1 
HETATM 1841 C C16 . LIG_H  H  8  .   ? 13.135  1.386   -11.410 1.00 1.72  1   H  1 
HETATM 1842 C C17 . LIG_H  H  8  .   ? 13.343  0.675   -10.649 1.00 1.52  1   H  1 
HETATM 1843 C C18 . LIG_H  H  8  .   ? 13.158  -0.289  -9.773  1.00 1.62  1   H  1 
HETATM 1844 O O1  . LIG_H  H  8  .   ? 12.214  -0.310  -9.099  1.00 2.82  1   H  1 
HETATM 1845 O O2  . LIG_H  H  8  .   ? 14.046  -1.160  -9.747  1.00 2.26  1   H  1 
HETATM 1846 C C19 . LIG_H  H  8  .   ? 13.817  -2.288  -9.081  1.00 1.66  1   H  1 
HETATM 1847 C C20 . LIG_H  H  8  .   ? 14.014  -3.497  -9.891  1.00 1.68  1   H  1 
HETATM 1848 C C21 . LIG_H  H  8  .   ? 14.763  -4.526  -9.134  1.00 1.69  1   H  1 
HETATM 1849 O O3  . LIG_H  H  8  .   ? 13.983  -5.089  -8.220  1.00 1.65  1   H  1 
HETATM 1850 P P1  . LIG_H  H  8  .   ? 14.262  -6.497  -7.689  1.00 1.60  1   H  1 
HETATM 1851 O O4  . LIG_H  H  8  .   ? 13.237  -6.761  -6.736  1.00 1.48  1   H  1 
HETATM 1852 O O5  . LIG_H  H  8  .   ? 14.514  -7.391  -8.728  1.00 1.49  1   H  1 
HETATM 1853 O O6  . LIG_H  H  8  .   ? 15.612  -6.243  -6.950  1.00 1.53  1   H  1 
HETATM 1854 C C22 . LIG_H  H  8  .   ? 15.779  -6.317  -5.722  1.00 1.79  1   H  1 
HETATM 1855 C C23 . LIG_H  H  8  .   ? 16.824  -7.177  -5.330  1.00 1.57  1   H  1 
HETATM 1856 N N1  . LIG_H  H  8  .   ? 18.124  -6.901  -5.708  1.00 2.67  1   H  1 
HETATM 1857 C C24 . LIG_H  H  8  .   ? 18.431  -5.568  -5.400  1.00 1.73  1   H  1 
HETATM 1858 C C25 . LIG_H  H  8  .   ? 19.008  -7.748  -5.033  1.00 1.70  1   H  1 
HETATM 1859 C C26 . LIG_H  H  8  .   ? 18.287  -7.122  -7.093  1.00 1.78  1   H  1 
HETATM 1860 O O7  . LIG_H  H  8  .   ? 14.782  -3.214  -10.999 1.00 1.81  1   H  1 
HETATM 1861 C C27 . LIG_H  H  8  .   ? 14.140  -3.149  -12.085 1.00 1.76  1   H  1 
HETATM 1862 O O8  . LIG_H  H  8  .   ? 13.011  -3.542  -12.157 1.00 1.84  1   H  1 
HETATM 1863 C C28 . LIG_H  H  8  .   ? 14.746  -2.561  -13.081 1.00 1.72  1   H  1 
HETATM 1864 C C29 . LIG_H  H  8  .   ? 14.471  -1.827  -13.932 1.00 1.79  1   H  1 
HETATM 1865 C C30 . LIG_H  H  8  .   ? 14.488  -1.095  -14.794 1.00 1.83  1   H  1 
HETATM 1866 C C31 . LIG_H  H  8  .   ? 14.353  -0.343  -15.647 1.00 1.69  1   H  1 
HETATM 1867 C C32 . LIG_H  H  8  .   ? 14.285  0.383   -16.512 1.00 1.98  1   H  1 
HETATM 1868 C C33 . LIG_H  H  8  .   ? 14.168  1.102   -17.404 1.00 1.81  1   H  1 
HETATM 1869 C C34 . LIG_H  H  8  .   ? 14.052  1.799   -18.312 1.00 1.79  1   H  1 
HETATM 1870 C C35 . LIG_H  H  8  .   ? 13.923  2.475   -19.233 1.00 1.76  1   H  1 
HETATM 1871 C C36 . LIG_H  H  8  .   ? 13.786  3.121   -20.176 1.00 1.84  1   H  1 
HETATM 1872 C C37 . LIG_H  H  8  .   ? 13.657  3.756   -21.139 1.00 1.85  1   H  1 
HETATM 1873 C C38 . LIG_H  H  8  .   ? 13.535  4.371   -22.110 1.00 1.71  1   H  1 
HETATM 1874 C C39 . LIG_H  H  8  .   ? 13.415  4.998   -23.084 1.00 1.88  1   H  1 
HETATM 1875 C C40 . LIG_H  H  8  .   ? 13.298  5.628   -24.028 1.00 1.86  1   H  1 
HETATM 1876 C C41 . LIG_H  H  8  .   ? 13.191  6.280   -24.985 1.00 1.64  1   H  1 
HETATM 1877 C C42 . LIG_H  H  8  .   ? 13.102  6.908   -25.889 1.00 1.64  1   H  1 
HETATM 1878 C C43 . LIG_H  H  8  .   ? 13.015  7.512   -26.824 1.00 1.40  1   H  1 
HETATM 1879 C C44 . LIG_H  H  8  .   ? 12.936  8.105   -27.862 1.00 1.45  1   H  1 
HETATM 1880 C C1  . LIG_I  I  9  .   ? 3.998   12.808  -23.879 1.00 2.11  1   I  1 
HETATM 1881 C C2  . LIG_I  I  9  .   ? 4.238   12.046  -24.092 1.00 2.08  1   I  1 
HETATM 1882 C C3  . LIG_I  I  9  .   ? 4.357   11.160  -23.536 1.00 2.09  1   I  1 
HETATM 1883 C C4  . LIG_I  I  9  .   ? 4.435   10.542  -22.717 1.00 2.33  1   I  1 
HETATM 1884 C C5  . LIG_I  I  9  .   ? 4.493   9.985   -21.804 1.00 2.16  1   I  1 
HETATM 1885 C C6  . LIG_I  I  9  .   ? 4.507   9.551   -20.830 1.00 1.93  1   I  1 
HETATM 1886 C C7  . LIG_I  I  9  .   ? 4.488   9.158   -19.845 1.00 1.97  1   I  1 
HETATM 1887 C C8  . LIG_I  I  9  .   ? 4.455   8.777   -18.842 1.00 1.91  1   I  1 
HETATM 1888 C C9  . LIG_I  I  9  .   ? 4.401   8.376   -17.860 1.00 2.02  1   I  1 
HETATM 1889 C C10 . LIG_I  I  9  .   ? 4.356   7.921   -16.846 1.00 2.12  1   I  1 
HETATM 1890 C C11 . LIG_I  I  9  .   ? 4.313   7.434   -15.875 1.00 2.04  1   I  1 
HETATM 1891 C C12 . LIG_I  I  9  .   ? 4.252   6.915   -14.896 1.00 2.17  1   I  1 
HETATM 1892 C C13 . LIG_I  I  9  .   ? 4.192   6.372   -13.935 1.00 1.71  1   I  1 
HETATM 1893 C C14 . LIG_I  I  9  .   ? 4.096   5.801   -12.971 1.00 1.71  1   I  1 
HETATM 1894 C C15 . LIG_I  I  9  .   ? 4.028   5.291   -12.024 1.00 1.78  1   I  1 
HETATM 1895 C C16 . LIG_I  I  9  .   ? 3.884   4.676   -11.063 1.00 1.83  1   I  1 
HETATM 1896 C C17 . LIG_I  I  9  .   ? 3.797   4.261   -10.124 1.00 1.61  1   I  1 
HETATM 1897 C C18 . LIG_I  I  9  .   ? 3.431   3.484   -9.170  1.00 1.72  1   I  1 
HETATM 1898 O O1  . LIG_I  I  9  .   ? 3.604   2.339   -9.182  1.00 2.77  1   I  1 
HETATM 1899 O O2  . LIG_I  I  9  .   ? 2.886   4.105   -8.292  1.00 2.38  1   I  1 
HETATM 1900 C C19 . LIG_I  I  9  .   ? 2.221   3.440   -7.363  1.00 1.78  1   I  1 
HETATM 1901 C C20 . LIG_I  I  9  .   ? 1.446   4.347   -6.519  1.00 1.61  1   I  1 
HETATM 1902 C C21 . LIG_I  I  9  .   ? 0.478   3.620   -5.692  1.00 1.77  1   I  1 
HETATM 1903 O O3  . LIG_I  I  9  .   ? 1.038   2.600   -5.152  1.00 1.64  1   I  1 
HETATM 1904 P P1  . LIG_I  I  9  .   ? 0.227   1.686   -4.309  1.00 1.61  1   I  1 
HETATM 1905 O O4  . LIG_I  I  9  .   ? -0.914  2.330   -3.739  1.00 1.43  1   I  1 
HETATM 1906 O O5  . LIG_I  I  9  .   ? 0.103   0.454   -4.975  1.00 1.60  1   I  1 
HETATM 1907 O O6  . LIG_I  I  9  .   ? 1.289   1.573   -3.177  1.00 1.63  1   I  1 
HETATM 1908 C C22 . LIG_I  I  9  .   ? 1.133   1.079   -2.062  1.00 1.97  1   I  1 
HETATM 1909 C C23 . LIG_I  I  9  .   ? 1.862   -0.091  -2.007  1.00 1.77  1   I  1 
HETATM 1910 N N1  . LIG_I  I  9  .   ? 3.224   0.040   -1.862  1.00 3.01  1   I  1 
HETATM 1911 C C24 . LIG_I  I  9  .   ? 3.484   0.434   -0.537  1.00 2.06  1   I  1 
HETATM 1912 C C25 . LIG_I  I  9  .   ? 3.810   -1.185  -2.092  1.00 2.00  1   I  1 
HETATM 1913 C C26 . LIG_I  I  9  .   ? 3.772   1.007   -2.747  1.00 2.13  1   I  1 
HETATM 1914 O O7  . LIG_I  I  9  .   ? 0.696   5.164   -7.327  1.00 1.79  1   I  1 
HETATM 1915 C C27 . LIG_I  I  9  .   ? 0.900   6.386   -7.200  1.00 1.79  1   I  1 
HETATM 1916 O O8  . LIG_I  I  9  .   ? 1.504   6.835   -6.276  1.00 1.85  1   I  1 
HETATM 1917 C C28 . LIG_I  I  9  .   ? 0.444   7.099   -8.181  1.00 1.70  1   I  1 
HETATM 1918 C C29 . LIG_I  I  9  .   ? 0.771   7.666   -9.073  1.00 1.78  1   I  1 
HETATM 1919 C C30 . LIG_I  I  9  .   ? 0.749   8.283   -10.031 1.00 1.86  1   I  1 
HETATM 1920 C C31 . LIG_I  I  9  .   ? 0.934   8.843   -10.972 1.00 1.69  1   I  1 
HETATM 1921 C C32 . LIG_I  I  9  .   ? 1.011   9.425   -11.925 1.00 1.92  1   I  1 
HETATM 1922 C C33 . LIG_I  I  9  .   ? 1.148   9.980   -12.893 1.00 1.76  1   I  1 
HETATM 1923 C C34 . LIG_I  I  9  .   ? 1.245   10.543  -13.887 1.00 1.79  1   I  1 
HETATM 1924 C C35 . LIG_I  I  9  .   ? 1.357   11.084  -14.876 1.00 1.81  1   I  1 
HETATM 1925 C C36 . LIG_I  I  9  .   ? 1.475   11.597  -15.890 1.00 1.91  1   I  1 
HETATM 1926 C C37 . LIG_I  I  9  .   ? 1.613   12.070  -16.930 1.00 1.92  1   I  1 
HETATM 1927 C C38 . LIG_I  I  9  .   ? 1.788   12.498  -17.993 1.00 1.70  1   I  1 
HETATM 1928 C C39 . LIG_I  I  9  .   ? 2.015   12.894  -19.077 1.00 1.86  1   I  1 
HETATM 1929 C C40 . LIG_I  I  9  .   ? 2.301   13.216  -20.146 1.00 1.89  1   I  1 
HETATM 1930 C C41 . LIG_I  I  9  .   ? 2.649   13.461  -21.208 1.00 1.58  1   I  1 
HETATM 1931 C C42 . LIG_I  I  9  .   ? 3.032   13.678  -22.211 1.00 1.55  1   I  1 
HETATM 1932 C C43 . LIG_I  I  9  .   ? 3.397   13.935  -23.193 1.00 1.38  1   I  1 
HETATM 1933 C C44 . LIG_I  I  9  .   ? 3.787   14.352  -24.279 1.00 1.44  1   I  1 
HETATM 1934 C C1  . LIG_J  J  10 .   ? 14.787  21.190  -16.041 1.00 1.97  1   J  1 
HETATM 1935 C C2  . LIG_J  J  10 .   ? 14.026  20.603  -16.063 1.00 2.07  1   J  1 
HETATM 1936 C C3  . LIG_J  J  10 .   ? 13.332  19.948  -15.468 1.00 1.95  1   J  1 
HETATM 1937 C C4  . LIG_J  J  10 .   ? 12.766  19.400  -14.733 1.00 2.26  1   J  1 
HETATM 1938 C C5  . LIG_J  J  10 .   ? 12.216  18.829  -13.961 1.00 2.09  1   J  1 
HETATM 1939 C C6  . LIG_J  J  10 .   ? 11.709  18.241  -13.167 1.00 1.87  1   J  1 
HETATM 1940 C C7  . LIG_J  J  10 .   ? 11.220  17.615  -12.404 1.00 1.84  1   J  1 
HETATM 1941 C C8  . LIG_J  J  10 .   ? 10.774  16.955  -11.641 1.00 1.76  1   J  1 
HETATM 1942 C C9  . LIG_J  J  10 .   ? 10.365  16.269  -10.903 1.00 1.87  1   J  1 
HETATM 1943 C C10 . LIG_J  J  10 .   ? 10.024  15.522  -10.118 1.00 1.94  1   J  1 
HETATM 1944 C C11 . LIG_J  J  10 .   ? 9.760   14.779  -9.342  1.00 1.89  1   J  1 
HETATM 1945 C C12 . LIG_J  J  10 .   ? 9.555   14.046  -8.514  1.00 1.97  1   J  1 
HETATM 1946 C C13 . LIG_J  J  10 .   ? 9.410   13.326  -7.675  1.00 1.59  1   J  1 
HETATM 1947 C C14 . LIG_J  J  10 .   ? 9.355   12.641  -6.767  1.00 1.57  1   J  1 
HETATM 1948 C C15 . LIG_J  J  10 .   ? 9.332   11.954  -5.931  1.00 1.54  1   J  1 
HETATM 1949 C C16 . LIG_J  J  10 .   ? 9.359   11.315  -4.953  1.00 1.51  1   J  1 
HETATM 1950 C C17 . LIG_J  J  10 .   ? 9.321   10.606  -4.175  1.00 1.36  1   J  1 
HETATM 1951 C C18 . LIG_J  J  10 .   ? 9.393   10.091  -2.998  1.00 1.39  1   J  1 
HETATM 1952 O O1  . LIG_J  J  10 .   ? 8.849   9.091   -2.754  1.00 1.93  1   J  1 
HETATM 1953 O O2  . LIG_J  J  10 .   ? 10.054  10.736  -2.207  1.00 1.79  1   J  1 
HETATM 1954 C C19 . LIG_J  J  10 .   ? 10.073  10.322  -0.960  1.00 1.32  1   J  1 
HETATM 1955 C C20 . LIG_J  J  10 .   ? 11.185  10.854  -0.215  1.00 1.32  1   J  1 
HETATM 1956 C C21 . LIG_J  J  10 .   ? 10.835  10.952  1.217   1.00 1.31  1   J  1 
HETATM 1957 O O3  . LIG_J  J  10 .   ? 11.125  9.809   1.819   1.00 1.33  1   J  1 
HETATM 1958 P P1  . LIG_J  J  10 .   ? 10.974  9.637   3.333   1.00 1.26  1   J  1 
HETATM 1959 O O4  . LIG_J  J  10 .   ? 11.792  8.522   3.696   1.00 1.20  1   J  1 
HETATM 1960 O O5  . LIG_J  J  10 .   ? 11.116  10.844  4.018   1.00 1.23  1   J  1 
HETATM 1961 O O6  . LIG_J  J  10 .   ? 9.503   9.206   3.406   1.00 1.29  1   J  1 
HETATM 1962 C C22 . LIG_J  J  10 .   ? 9.159   8.028   3.310   1.00 1.33  1   J  1 
HETATM 1963 C C23 . LIG_J  J  10 .   ? 7.793   7.829   3.441   1.00 1.29  1   J  1 
HETATM 1964 N N1  . LIG_J  J  10 .   ? 7.130   7.398   2.338   1.00 2.19  1   J  1 
HETATM 1965 C C24 . LIG_J  J  10 .   ? 7.796   6.284   1.807   1.00 1.37  1   J  1 
HETATM 1966 C C25 . LIG_J  J  10 .   ? 5.861   7.053   2.717   1.00 1.37  1   J  1 
HETATM 1967 C C26 . LIG_J  J  10 .   ? 7.077   8.426   1.379   1.00 1.41  1   J  1 
HETATM 1968 O O7  . LIG_J  J  10 .   ? 11.453  12.136  -0.632  1.00 1.53  1   J  1 
HETATM 1969 C C27 . LIG_J  J  10 .   ? 12.626  12.333  -1.032  1.00 1.51  1   J  1 
HETATM 1970 O O8  . LIG_J  J  10 .   ? 13.490  11.557  -0.813  1.00 1.67  1   J  1 
HETATM 1971 C C28 . LIG_J  J  10 .   ? 12.766  13.398  -1.757  1.00 1.41  1   J  1 
HETATM 1972 C C29 . LIG_J  J  10 .   ? 12.751  13.708  -2.824  1.00 1.60  1   J  1 
HETATM 1973 C C30 . LIG_J  J  10 .   ? 12.828  14.363  -3.757  1.00 1.64  1   J  1 
HETATM 1974 C C31 . LIG_J  J  10 .   ? 12.863  14.853  -4.745  1.00 1.57  1   J  1 
HETATM 1975 C C32 . LIG_J  J  10 .   ? 12.968  15.448  -5.685  1.00 1.80  1   J  1 
HETATM 1976 C C33 . LIG_J  J  10 .   ? 13.113  16.005  -6.636  1.00 1.66  1   J  1 
HETATM 1977 C C34 . LIG_J  J  10 .   ? 13.338  16.620  -7.565  1.00 1.67  1   J  1 
HETATM 1978 C C35 . LIG_J  J  10 .   ? 13.617  17.240  -8.464  1.00 1.68  1   J  1 
HETATM 1979 C C36 . LIG_J  J  10 .   ? 13.964  17.864  -9.347  1.00 1.76  1   J  1 
HETATM 1980 C C37 . LIG_J  J  10 .   ? 14.340  18.478  -10.228 1.00 1.74  1   J  1 
HETATM 1981 C C38 . LIG_J  J  10 .   ? 14.719  19.080  -11.103 1.00 1.60  1   J  1 
HETATM 1982 C C39 . LIG_J  J  10 .   ? 15.087  19.696  -11.991 1.00 1.73  1   J  1 
HETATM 1983 C C40 . LIG_J  J  10 .   ? 15.431  20.311  -12.879 1.00 1.74  1   J  1 
HETATM 1984 C C41 . LIG_J  J  10 .   ? 15.763  20.917  -13.773 1.00 1.50  1   J  1 
HETATM 1985 C C42 . LIG_J  J  10 .   ? 16.127  21.502  -14.608 1.00 1.53  1   J  1 
HETATM 1986 C C43 . LIG_J  J  10 .   ? 16.535  22.103  -15.397 1.00 1.37  1   J  1 
HETATM 1987 C C44 . LIG_J  J  10 .   ? 17.029  22.773  -16.205 1.00 1.46  1   J  1 
HETATM 1988 C C1  . LIG_K  K  11 .   ? 5.797   21.767  -17.822 1.00 2.00  1   K  1 
HETATM 1989 C C2  . LIG_K  K  11 .   ? 5.999   21.094  -18.145 1.00 2.02  1   K  1 
HETATM 1990 C C3  . LIG_K  K  11 .   ? 6.150   20.185  -17.634 1.00 1.97  1   K  1 
HETATM 1991 C C4  . LIG_K  K  11 .   ? 6.242   19.524  -16.845 1.00 2.15  1   K  1 
HETATM 1992 C C5  . LIG_K  K  11 .   ? 6.282   18.908  -15.952 1.00 2.05  1   K  1 
HETATM 1993 C C6  . LIG_K  K  11 .   ? 6.265   18.402  -15.004 1.00 1.89  1   K  1 
HETATM 1994 C C7  . LIG_K  K  11 .   ? 6.213   17.930  -14.030 1.00 1.83  1   K  1 
HETATM 1995 C C8  . LIG_K  K  11 .   ? 6.128   17.506  -13.036 1.00 1.76  1   K  1 
HETATM 1996 C C9  . LIG_K  K  11 .   ? 6.034   17.094  -12.030 1.00 1.89  1   K  1 
HETATM 1997 C C10 . LIG_K  K  11 .   ? 5.937   16.658  -10.981 1.00 1.98  1   K  1 
HETATM 1998 C C11 . LIG_K  K  11 .   ? 5.839   16.229  -9.952  1.00 1.92  1   K  1 
HETATM 1999 C C12 . LIG_K  K  11 .   ? 5.760   15.789  -8.902  1.00 1.96  1   K  1 
HETATM 2000 C C13 . LIG_K  K  11 .   ? 5.682   15.377  -7.851  1.00 1.57  1   K  1 
HETATM 2001 C C14 . LIG_K  K  11 .   ? 5.624   14.929  -6.786  1.00 1.54  1   K  1 
HETATM 2002 C C15 . LIG_K  K  11 .   ? 5.541   14.544  -5.754  1.00 1.51  1   K  1 
HETATM 2003 C C16 . LIG_K  K  11 .   ? 5.516   14.051  -4.678  1.00 1.51  1   K  1 
HETATM 2004 C C17 . LIG_K  K  11 .   ? 5.337   13.708  -3.699  1.00 1.35  1   K  1 
HETATM 2005 C C18 . LIG_K  K  11 .   ? 5.412   12.998  -2.595  1.00 1.40  1   K  1 
HETATM 2006 O O1  . LIG_K  K  11 .   ? 6.266   12.231  -2.419  1.00 2.00  1   K  1 
HETATM 2007 O O2  . LIG_K  K  11 .   ? 4.525   13.218  -1.801  1.00 1.82  1   K  1 
HETATM 2008 C C19 . LIG_K  K  11 .   ? 4.459   12.491  -0.689  1.00 1.32  1   K  1 
HETATM 2009 C C20 . LIG_K  K  11 .   ? 3.463   13.057  0.208   1.00 1.29  1   K  1 
HETATM 2010 C C21 . LIG_K  K  11 .   ? 2.873   12.055  1.105   1.00 1.29  1   K  1 
HETATM 2011 O O3  . LIG_K  K  11 .   ? 3.758   11.425  1.807   1.00 1.33  1   K  1 
HETATM 2012 P P1  . LIG_K  K  11 .   ? 3.307   10.438  2.887   1.00 1.26  1   K  1 
HETATM 2013 O O4  . LIG_K  K  11 .   ? 3.702   9.130   2.491   1.00 1.20  1   K  1 
HETATM 2014 O O5  . LIG_K  K  11 .   ? 1.994   10.652  3.281   1.00 1.23  1   K  1 
HETATM 2015 O O6  . LIG_K  K  11 .   ? 4.295   10.869  4.003   1.00 1.29  1   K  1 
HETATM 2016 C C22 . LIG_K  K  11 .   ? 4.055   10.889  5.152   1.00 1.31  1   K  1 
HETATM 2017 C C23 . LIG_K  K  11 .   ? 4.970   10.484  6.076   1.00 1.25  1   K  1 
HETATM 2018 N N1  . LIG_K  K  11 .   ? 6.172   11.088  6.231   1.00 1.94  1   K  1 
HETATM 2019 C C24 . LIG_K  K  11 .   ? 6.748   10.657  7.428   1.00 1.25  1   K  1 
HETATM 2020 C C25 . LIG_K  K  11 .   ? 7.018   10.722  5.178   1.00 1.30  1   K  1 
HETATM 2021 C C26 . LIG_K  K  11 .   ? 6.020   12.469  6.286   1.00 1.32  1   K  1 
HETATM 2022 O O7  . LIG_K  K  11 .   ? 2.396   13.508  -0.552  1.00 1.50  1   K  1 
HETATM 2023 C C27 . LIG_K  K  11 .   ? 2.073   14.714  -0.392  1.00 1.46  1   K  1 
HETATM 2024 O O8  . LIG_K  K  11 .   ? 2.309   15.287  0.615   1.00 1.62  1   K  1 
HETATM 2025 C C28 . LIG_K  K  11 .   ? 1.554   15.284  -1.459  1.00 1.42  1   K  1 
HETATM 2026 C C29 . LIG_K  K  11 .   ? 1.962   15.830  -2.384  1.00 1.59  1   K  1 
HETATM 2027 C C30 . LIG_K  K  11 .   ? 2.079   16.408  -3.376  1.00 1.64  1   K  1 
HETATM 2028 C C31 . LIG_K  K  11 .   ? 2.403   16.964  -4.313  1.00 1.58  1   K  1 
HETATM 2029 C C32 . LIG_K  K  11 .   ? 2.621   17.526  -5.277  1.00 1.80  1   K  1 
HETATM 2030 C C33 . LIG_K  K  11 .   ? 2.913   18.064  -6.248  1.00 1.67  1   K  1 
HETATM 2031 C C34 . LIG_K  K  11 .   ? 3.167   18.600  -7.248  1.00 1.66  1   K  1 
HETATM 2032 C C35 . LIG_K  K  11 .   ? 3.432   19.108  -8.255  1.00 1.63  1   K  1 
HETATM 2033 C C36 . LIG_K  K  11 .   ? 3.687   19.588  -9.286  1.00 1.72  1   K  1 
HETATM 2034 C C37 . LIG_K  K  11 .   ? 3.947   20.052  -10.338 1.00 1.71  1   K  1 
HETATM 2035 C C38 . LIG_K  K  11 .   ? 4.209   20.507  -11.401 1.00 1.56  1   K  1 
HETATM 2036 C C39 . LIG_K  K  11 .   ? 4.458   20.952  -12.484 1.00 1.67  1   K  1 
HETATM 2037 C C40 . LIG_K  K  11 .   ? 4.678   21.391  -13.556 1.00 1.74  1   K  1 
HETATM 2038 C C41 . LIG_K  K  11 .   ? 4.889   21.833  -14.613 1.00 1.49  1   K  1 
HETATM 2039 C C42 . LIG_K  K  11 .   ? 5.058   22.272  -15.619 1.00 1.49  1   K  1 
HETATM 2040 C C43 . LIG_K  K  11 .   ? 5.180   22.760  -16.588 1.00 1.34  1   K  1 
HETATM 2041 C C44 . LIG_K  K  11 .   ? 5.260   23.405  -17.637 1.00 1.42  1   K  1 
HETATM 2042 C C1  . LIG_L  L  12 .   ? 7.917   8.295   -26.738 1.00 2.12  1   L  1 
HETATM 2043 C C2  . LIG_L  L  12 .   ? 8.275   9.205   -26.351 1.00 2.17  1   L  1 
HETATM 2044 C C3  . LIG_L  L  12 .   ? 8.529   9.476   -25.319 1.00 2.11  1   L  1 
HETATM 2045 C C4  . LIG_L  L  12 .   ? 8.510   9.126   -24.284 1.00 2.47  1   L  1 
HETATM 2046 C C5  . LIG_L  L  12 .   ? 8.423   8.600   -23.331 1.00 2.31  1   L  1 
HETATM 2047 C C6  . LIG_L  L  12 .   ? 8.295   7.959   -22.427 1.00 2.11  1   L  1 
HETATM 2048 C C7  . LIG_L  L  12 .   ? 8.155   7.298   -21.571 1.00 2.17  1   L  1 
HETATM 2049 C C8  . LIG_L  L  12 .   ? 7.991   6.589   -20.738 1.00 2.12  1   L  1 
HETATM 2050 C C9  . LIG_L  L  12 .   ? 7.837   5.907   -19.907 1.00 2.24  1   L  1 
HETATM 2051 C C10 . LIG_L  L  12 .   ? 7.691   5.211   -19.014 1.00 2.53  1   L  1 
HETATM 2052 C C11 . LIG_L  L  12 .   ? 7.558   4.580   -18.120 1.00 2.34  1   L  1 
HETATM 2053 C C12 . LIG_L  L  12 .   ? 7.446   3.948   -17.168 1.00 2.60  1   L  1 
HETATM 2054 C C13 . LIG_L  L  12 .   ? 7.323   3.399   -16.199 1.00 1.93  1   L  1 
HETATM 2055 C C14 . LIG_L  L  12 .   ? 7.248   2.818   -15.204 1.00 2.02  1   L  1 
HETATM 2056 C C15 . LIG_L  L  12 .   ? 7.106   2.368   -14.221 1.00 2.16  1   L  1 
HETATM 2057 C C16 . LIG_L  L  12 .   ? 7.049   1.793   -13.186 1.00 2.03  1   L  1 
HETATM 2058 C C17 . LIG_L  L  12 .   ? 6.815   1.530   -12.170 1.00 1.72  1   L  1 
HETATM 2059 C C18 . LIG_L  L  12 .   ? 6.938   0.822   -11.091 1.00 1.83  1   L  1 
HETATM 2060 O O1  . LIG_L  L  12 .   ? 6.606   1.256   -10.071 1.00 2.75  1   L  1 
HETATM 2061 O O2  . LIG_L  L  12 .   ? 7.421   -0.273  -11.235 1.00 2.44  1   L  1 
HETATM 2062 C C19 . LIG_L  L  12 .   ? 7.701   -0.983  -10.163 1.00 1.86  1   L  1 
HETATM 2063 C C20 . LIG_L  L  12 .   ? 8.378   -2.242  -10.513 1.00 1.92  1   L  1 
HETATM 2064 C C21 . LIG_L  L  12 .   ? 8.970   -2.881  -9.329  1.00 2.04  1   L  1 
HETATM 2065 O O3  . LIG_L  L  12 .   ? 8.018   -3.161  -8.472  1.00 1.85  1   L  1 
HETATM 2066 P P1  . LIG_L  L  12 .   ? 8.205   -4.135  -7.328  1.00 1.79  1   L  1 
HETATM 2067 O O4  . LIG_L  L  12 .   ? 8.803   -5.325  -7.783  1.00 1.60  1   L  1 
HETATM 2068 O O5  . LIG_L  L  12 .   ? 6.978   -4.177  -6.609  1.00 1.66  1   L  1 
HETATM 2069 O O6  . LIG_L  L  12 .   ? 9.199   -3.348  -6.437  1.00 1.69  1   L  1 
HETATM 2070 C C22 . LIG_L  L  12 .   ? 10.198  -3.842  -5.929  1.00 2.22  1   L  1 
HETATM 2071 C C23 . LIG_L  L  12 .   ? 10.260  -3.716  -4.565  1.00 1.91  1   L  1 
HETATM 2072 N N1  . LIG_L  L  12 .   ? 11.288  -4.372  -3.938  1.00 2.91  1   L  1 
HETATM 2073 C C24 . LIG_L  L  12 .   ? 11.186  -4.139  -2.560  1.00 1.92  1   L  1 
HETATM 2074 C C25 . LIG_L  L  12 .   ? 12.508  -3.897  -4.439  1.00 1.97  1   L  1 
HETATM 2075 C C26 . LIG_L  L  12 .   ? 11.196  -5.754  -4.176  1.00 2.13  1   L  1 
HETATM 2076 O O7  . LIG_L  L  12 .   ? 9.418   -1.961  -11.369 1.00 1.88  1   L  1 
HETATM 2077 C C27 . LIG_L  L  12 .   ? 9.279   -2.433  -12.533 1.00 1.98  1   L  1 
HETATM 2078 O O8  . LIG_L  L  12 .   ? 8.484   -3.280  -12.772 1.00 2.11  1   L  1 
HETATM 2079 C C28 . LIG_L  L  12 .   ? 10.025  -1.856  -13.429 1.00 2.00  1   L  1 
HETATM 2080 C C29 . LIG_L  L  12 .   ? 9.917   -1.501  -14.503 1.00 2.21  1   L  1 
HETATM 2081 C C30 . LIG_L  L  12 .   ? 10.084  -1.008  -15.511 1.00 2.38  1   L  1 
HETATM 2082 C C31 . LIG_L  L  12 .   ? 10.032  -0.541  -16.549 1.00 1.96  1   L  1 
HETATM 2083 C C32 . LIG_L  L  12 .   ? 10.016  -0.038  -17.564 1.00 2.29  1   L  1 
HETATM 2084 C C33 . LIG_L  L  12 .   ? 9.906   0.485   -18.579 1.00 2.01  1   L  1 
HETATM 2085 C C34 . LIG_L  L  12 .   ? 9.788   1.033   -19.581 1.00 2.00  1   L  1 
HETATM 2086 C C35 . LIG_L  L  12 .   ? 9.625   1.575   -20.579 1.00 2.07  1   L  1 
HETATM 2087 C C36 . LIG_L  L  12 .   ? 9.444   2.132   -21.569 1.00 2.21  1   L  1 
HETATM 2088 C C37 . LIG_L  L  12 .   ? 9.222   2.695   -22.552 1.00 2.13  1   L  1 
HETATM 2089 C C38 . LIG_L  L  12 .   ? 8.971   3.286   -23.520 1.00 1.82  1   L  1 
HETATM 2090 C C39 . LIG_L  L  12 .   ? 8.691   3.915   -24.463 1.00 2.00  1   L  1 
HETATM 2091 C C40 . LIG_L  L  12 .   ? 8.385   4.594   -25.349 1.00 2.10  1   L  1 
HETATM 2092 C C41 . LIG_L  L  12 .   ? 8.035   5.295   -26.180 1.00 1.72  1   L  1 
HETATM 2093 C C42 . LIG_L  L  12 .   ? 7.643   5.987   -26.921 1.00 1.64  1   L  1 
HETATM 2094 C C43 . LIG_L  L  12 .   ? 7.136   6.633   -27.637 1.00 1.38  1   L  1 
HETATM 2095 C C44 . LIG_L  L  12 .   ? 6.532   7.285   -28.419 1.00 1.47  1   L  1 
HETATM 2096 C C1  . LIG_M  M  13 .   ? -4.831  1.621   -30.996 1.00 2.29  1   M  1 
HETATM 2097 C C2  . LIG_M  M  13 .   ? -4.839  2.435   -30.471 1.00 2.39  1   M  1 
HETATM 2098 C C3  . LIG_M  M  13 .   ? -4.649  2.540   -29.404 1.00 2.29  1   M  1 
HETATM 2099 C C4  . LIG_M  M  13 .   ? -4.393  2.094   -28.444 1.00 2.65  1   M  1 
HETATM 2100 C C5  . LIG_M  M  13 .   ? -4.142  1.627   -27.488 1.00 2.47  1   M  1 
HETATM 2101 C C6  . LIG_M  M  13 .   ? -3.907  1.023   -26.591 1.00 2.02  1   M  1 
HETATM 2102 C C7  . LIG_M  M  13 .   ? -3.700  0.408   -25.729 1.00 2.06  1   M  1 
HETATM 2103 C C8  . LIG_M  M  13 .   ? -3.524  -0.286  -24.899 1.00 1.96  1   M  1 
HETATM 2104 C C9  . LIG_M  M  13 .   ? -3.365  -0.965  -24.094 1.00 2.14  1   M  1 
HETATM 2105 C C10 . LIG_M  M  13 .   ? -3.232  -1.706  -23.263 1.00 2.19  1   M  1 
HETATM 2106 C C11 . LIG_M  M  13 .   ? -3.140  -2.468  -22.493 1.00 2.13  1   M  1 
HETATM 2107 C C12 . LIG_M  M  13 .   ? -3.085  -3.277  -21.727 1.00 2.30  1   M  1 
HETATM 2108 C C13 . LIG_M  M  13 .   ? -3.050  -4.108  -21.006 1.00 1.75  1   M  1 
HETATM 2109 C C14 . LIG_M  M  13 .   ? -3.023  -4.959  -20.263 1.00 1.74  1   M  1 
HETATM 2110 C C15 . LIG_M  M  13 .   ? -3.009  -5.788  -19.587 1.00 1.74  1   M  1 
HETATM 2111 C C16 . LIG_M  M  13 .   ? -2.992  -6.624  -18.798 1.00 1.80  1   M  1 
HETATM 2112 C C17 . LIG_M  M  13 .   ? -2.972  -7.514  -18.284 1.00 1.56  1   M  1 
HETATM 2113 C C18 . LIG_M  M  13 .   ? -2.875  -8.335  -17.325 1.00 1.70  1   M  1 
HETATM 2114 O O1  . LIG_M  M  13 .   ? -2.827  -7.959  -16.218 1.00 2.91  1   M  1 
HETATM 2115 O O2  . LIG_M  M  13 .   ? -2.833  -9.480  -17.670 1.00 2.59  1   M  1 
HETATM 2116 C C19 . LIG_M  M  13 .   ? -2.697  -10.370 -16.740 1.00 1.78  1   M  1 
HETATM 2117 C C20 . LIG_M  M  13 .   ? -2.739  -11.705 -17.284 1.00 1.74  1   M  1 
HETATM 2118 C C21 . LIG_M  M  13 .   ? -2.211  -12.646 -16.298 1.00 1.89  1   M  1 
HETATM 2119 O O3  . LIG_M  M  13 .   ? -3.073  -12.833 -15.341 1.00 1.78  1   M  1 
HETATM 2120 P P1  . LIG_M  M  13 .   ? -2.982  -14.139 -14.549 1.00 1.75  1   M  1 
HETATM 2121 O O4  . LIG_M  M  13 .   ? -1.649  -14.296 -14.077 1.00 1.57  1   M  1 
HETATM 2122 O O5  . LIG_M  M  13 .   ? -3.532  -15.158 -15.312 1.00 1.59  1   M  1 
HETATM 2123 O O6  . LIG_M  M  13 .   ? -3.878  -13.783 -13.365 1.00 1.77  1   M  1 
HETATM 2124 C C22 . LIG_M  M  13 .   ? -5.061  -13.552 -13.499 1.00 2.50  1   M  1 
HETATM 2125 C C23 . LIG_M  M  13 .   ? -5.848  -14.002 -12.469 1.00 1.97  1   M  1 
HETATM 2126 N N1  . LIG_M  M  13 .   ? -6.880  -14.835 -12.799 1.00 3.54  1   M  1 
HETATM 2127 C C24 . LIG_M  M  13 .   ? -6.391  -16.137 -13.076 1.00 2.22  1   M  1 
HETATM 2128 C C25 . LIG_M  M  13 .   ? -7.742  -14.899 -11.717 1.00 2.44  1   M  1 
HETATM 2129 C C26 . LIG_M  M  13 .   ? -7.536  -14.333 -13.936 1.00 2.26  1   M  1 
HETATM 2130 O O7  . LIG_M  M  13 .   ? -1.884  -11.797 -18.362 1.00 1.88  1   M  1 
HETATM 2131 C C27 . LIG_M  M  13 .   ? -2.351  -12.359 -19.369 1.00 1.81  1   M  1 
HETATM 2132 O O8  . LIG_M  M  13 .   ? -3.413  -12.877 -19.351 1.00 1.83  1   M  1 
HETATM 2133 C C28 . LIG_M  M  13 .   ? -1.655  -12.221 -20.447 1.00 1.73  1   M  1 
HETATM 2134 C C29 . LIG_M  M  13 .   ? -1.739  -11.384 -21.246 1.00 1.88  1   M  1 
HETATM 2135 C C30 . LIG_M  M  13 .   ? -1.895  -10.527 -21.905 1.00 1.95  1   M  1 
HETATM 2136 C C31 . LIG_M  M  13 .   ? -2.087  -9.614  -22.550 1.00 1.82  1   M  1 
HETATM 2137 C C32 . LIG_M  M  13 .   ? -2.288  -8.712  -23.142 1.00 2.16  1   M  1 
HETATM 2138 C C33 . LIG_M  M  13 .   ? -2.521  -7.813  -23.767 1.00 1.95  1   M  1 
HETATM 2139 C C34 . LIG_M  M  13 .   ? -2.773  -6.934  -24.412 1.00 1.90  1   M  1 
HETATM 2140 C C35 . LIG_M  M  13 .   ? -3.018  -6.068  -25.098 1.00 1.83  1   M  1 
HETATM 2141 C C36 . LIG_M  M  13 .   ? -3.259  -5.222  -25.818 1.00 2.01  1   M  1 
HETATM 2142 C C37 . LIG_M  M  13 .   ? -3.484  -4.397  -26.581 1.00 1.92  1   M  1 
HETATM 2143 C C38 . LIG_M  M  13 .   ? -3.680  -3.625  -27.395 1.00 1.70  1   M  1 
HETATM 2144 C C39 . LIG_M  M  13 .   ? -3.885  -2.883  -28.268 1.00 1.88  1   M  1 
HETATM 2145 C C40 . LIG_M  M  13 .   ? -4.081  -2.183  -29.145 1.00 2.05  1   M  1 
HETATM 2146 C C41 . LIG_M  M  13 .   ? -4.288  -1.508  -30.051 1.00 1.80  1   M  1 
HETATM 2147 C C42 . LIG_M  M  13 .   ? -4.484  -0.880  -30.925 1.00 1.75  1   M  1 
HETATM 2148 C C43 . LIG_M  M  13 .   ? -4.675  -0.307  -31.838 1.00 1.45  1   M  1 
HETATM 2149 C C44 . LIG_M  M  13 .   ? -4.890  0.232   -32.903 1.00 1.51  1   M  1 
HETATM 2150 C C1  . LIG_N  N  14 .   ? 18.396  14.724  -21.832 1.00 1.89  1   N  1 
HETATM 2151 C C2  . LIG_N  N  14 .   ? 18.994  14.234  -21.588 1.00 2.10  1   N  1 
HETATM 2152 C C3  . LIG_N  N  14 .   ? 19.481  13.577  -20.867 1.00 2.07  1   N  1 
HETATM 2153 C C4  . LIG_N  N  14 .   ? 19.867  12.960  -20.066 1.00 2.26  1   N  1 
HETATM 2154 C C5  . LIG_N  N  14 .   ? 20.160  12.362  -19.211 1.00 2.06  1   N  1 
HETATM 2155 C C6  . LIG_N  N  14 .   ? 20.346  11.778  -18.313 1.00 1.82  1   N  1 
HETATM 2156 C C7  . LIG_N  N  14 .   ? 20.453  11.208  -17.400 1.00 1.81  1   N  1 
HETATM 2157 C C8  . LIG_N  N  14 .   ? 20.526  10.633  -16.469 1.00 1.75  1   N  1 
HETATM 2158 C C9  . LIG_N  N  14 .   ? 20.573  10.051  -15.544 1.00 1.81  1   N  1 
HETATM 2159 C C10 . LIG_N  N  14 .   ? 20.606  9.431   -14.577 1.00 1.86  1   N  1 
HETATM 2160 C C11 . LIG_N  N  14 .   ? 20.622  8.818   -13.641 1.00 1.82  1   N  1 
HETATM 2161 C C12 . LIG_N  N  14 .   ? 20.624  8.196   -12.678 1.00 1.94  1   N  1 
HETATM 2162 C C13 . LIG_N  N  14 .   ? 20.624  7.574   -11.746 1.00 1.54  1   N  1 
HETATM 2163 C C14 . LIG_N  N  14 .   ? 20.568  6.971   -10.765 1.00 1.52  1   N  1 
HETATM 2164 C C15 . LIG_N  N  14 .   ? 20.547  6.374   -9.854  1.00 1.48  1   N  1 
HETATM 2165 C C16 . LIG_N  N  14 .   ? 20.450  5.777   -8.853  1.00 1.45  1   N  1 
HETATM 2166 C C17 . LIG_N  N  14 .   ? 20.440  5.121   -8.042  1.00 1.31  1   N  1 
HETATM 2167 C C18 . LIG_N  N  14 .   ? 20.231  4.527   -6.918  1.00 1.35  1   N  1 
HETATM 2168 O O1  . LIG_N  N  14 .   ? 20.315  3.370   -6.796  1.00 1.94  1   N  1 
HETATM 2169 O O2  . LIG_N  N  14 .   ? 19.915  5.299   -6.028  1.00 1.78  1   N  1 
HETATM 2170 C C19 . LIG_N  N  14 .   ? 19.597  4.793   -4.848  1.00 1.31  1   N  1 
HETATM 2171 C C20 . LIG_N  N  14 .   ? 18.826  5.755   -4.077  1.00 1.34  1   N  1 
HETATM 2172 C C21 . LIG_N  N  14 .   ? 18.227  5.148   -2.877  1.00 1.33  1   N  1 
HETATM 2173 O O3  . LIG_N  N  14 .   ? 19.026  4.266   -2.322  1.00 1.38  1   N  1 
HETATM 2174 P P1  . LIG_N  N  14 .   ? 18.871  3.875   -0.847  1.00 1.31  1   N  1 
HETATM 2175 O O4  . LIG_N  N  14 .   ? 19.249  2.509   -0.760  1.00 1.21  1   N  1 
HETATM 2176 O O5  . LIG_N  N  14 .   ? 17.632  4.251   -0.339  1.00 1.22  1   N  1 
HETATM 2177 O O6  . LIG_N  N  14 .   ? 19.921  4.851   -0.301  1.00 1.29  1   N  1 
HETATM 2178 C C22 . LIG_N  N  14 .   ? 20.637  4.747   0.707   1.00 1.36  1   N  1 
HETATM 2179 C C23 . LIG_N  N  14 .   ? 21.675  3.805   0.580   1.00 1.29  1   N  1 
HETATM 2180 N N1  . LIG_N  N  14 .   ? 22.573  3.828   -0.465  1.00 2.10  1   N  1 
HETATM 2181 C C24 . LIG_N  N  14 .   ? 22.935  5.148   -0.776  1.00 1.34  1   N  1 
HETATM 2182 C C25 . LIG_N  N  14 .   ? 23.700  3.093   -0.099  1.00 1.38  1   N  1 
HETATM 2183 C C26 . LIG_N  N  14 .   ? 22.048  3.209   -1.626  1.00 1.41  1   N  1 
HETATM 2184 O O7  . LIG_N  N  14 .   ? 17.765  6.155   -4.863  1.00 1.54  1   N  1 
HETATM 2185 C C27 . LIG_N  N  14 .   ? 17.576  7.388   -4.910  1.00 1.51  1   N  1 
HETATM 2186 O O8  . LIG_N  N  14 .   ? 18.005  8.112   -4.081  1.00 1.65  1   N  1 
HETATM 2187 C C28 . LIG_N  N  14 .   ? 16.927  7.797   -5.968  1.00 1.44  1   N  1 
HETATM 2188 C C29 . LIG_N  N  14 .   ? 17.113  8.366   -6.912  1.00 1.59  1   N  1 
HETATM 2189 C C30 . LIG_N  N  14 .   ? 17.017  8.882   -7.925  1.00 1.64  1   N  1 
HETATM 2190 C C31 . LIG_N  N  14 .   ? 17.084  9.416   -8.914  1.00 1.58  1   N  1 
HETATM 2191 C C32 . LIG_N  N  14 .   ? 17.079  9.920   -9.916  1.00 1.82  1   N  1 
HETATM 2192 C C33 . LIG_N  N  14 .   ? 17.111  10.428  -10.927 1.00 1.65  1   N  1 
HETATM 2193 C C34 . LIG_N  N  14 .   ? 17.095  10.933  -11.954 1.00 1.68  1   N  1 
HETATM 2194 C C35 . LIG_N  N  14 .   ? 17.089  11.444  -12.972 1.00 1.65  1   N  1 
HETATM 2195 C C36 . LIG_N  N  14 .   ? 17.072  11.965  -13.998 1.00 1.74  1   N  1 
HETATM 2196 C C37 . LIG_N  N  14 .   ? 17.060  12.477  -15.035 1.00 1.72  1   N  1 
HETATM 2197 C C38 . LIG_N  N  14 .   ? 17.049  12.991  -16.073 1.00 1.59  1   N  1 
HETATM 2198 C C39 . LIG_N  N  14 .   ? 17.050  13.509  -17.125 1.00 1.76  1   N  1 
HETATM 2199 C C40 . LIG_N  N  14 .   ? 17.067  14.007  -18.167 1.00 1.80  1   N  1 
HETATM 2200 C C41 . LIG_N  N  14 .   ? 17.097  14.494  -19.219 1.00 1.58  1   N  1 
HETATM 2201 C C42 . LIG_N  N  14 .   ? 17.118  14.948  -20.226 1.00 1.62  1   N  1 
HETATM 2202 C C43 . LIG_N  N  14 .   ? 17.071  15.408  -21.225 1.00 1.38  1   N  1 
HETATM 2203 C C44 . LIG_N  N  14 .   ? 16.948  15.943  -22.302 1.00 1.41  1   N  1 
HETATM 2204 C C1  . LIG_O  O  15 .   ? 2.889   4.069   -30.728 1.00 2.13  1   O  1 
HETATM 2205 C C2  . LIG_O  O  15 .   ? 2.589   4.849   -30.109 1.00 2.23  1   O  1 
HETATM 2206 C C3  . LIG_O  O  15 .   ? 2.564   4.825   -29.016 1.00 2.28  1   O  1 
HETATM 2207 C C4  . LIG_O  O  15 .   ? 2.750   4.239   -28.137 1.00 2.55  1   O  1 
HETATM 2208 C C5  . LIG_O  O  15 .   ? 2.991   3.558   -27.317 1.00 2.33  1   O  1 
HETATM 2209 C C6  . LIG_O  O  15 .   ? 3.316   2.785   -26.609 1.00 2.06  1   O  1 
HETATM 2210 C C7  . LIG_O  O  15 .   ? 3.682   2.009   -25.946 1.00 2.06  1   O  1 
HETATM 2211 C C8  . LIG_O  O  15 .   ? 4.083   1.230   -25.299 1.00 1.95  1   O  1 
HETATM 2212 C C9  . LIG_O  O  15 .   ? 4.452   0.476   -24.623 1.00 2.08  1   O  1 
HETATM 2213 C C10 . LIG_O  O  15 .   ? 4.791   -0.292  -23.882 1.00 2.19  1   O  1 
HETATM 2214 C C11 . LIG_O  O  15 .   ? 5.037   -1.064  -23.140 1.00 2.07  1   O  1 
HETATM 2215 C C12 . LIG_O  O  15 .   ? 5.199   -1.883  -22.396 1.00 2.24  1   O  1 
HETATM 2216 C C13 . LIG_O  O  15 .   ? 5.313   -2.729  -21.691 1.00 1.73  1   O  1 
HETATM 2217 C C14 . LIG_O  O  15 .   ? 5.397   -3.628  -20.994 1.00 1.73  1   O  1 
HETATM 2218 C C15 . LIG_O  O  15 .   ? 5.460   -4.514  -20.369 1.00 1.75  1   O  1 
HETATM 2219 C C16 . LIG_O  O  15 .   ? 5.533   -5.436  -19.658 1.00 1.82  1   O  1 
HETATM 2220 C C17 . LIG_O  O  15 .   ? 5.616   -6.323  -19.143 1.00 1.65  1   O  1 
HETATM 2221 C C18 . LIG_O  O  15 .   ? 5.735   -7.252  -18.267 1.00 1.71  1   O  1 
HETATM 2222 O O1  . LIG_O  O  15 .   ? 5.437   -7.072  -17.152 1.00 2.80  1   O  1 
HETATM 2223 O O2  . LIG_O  O  15 .   ? 6.179   -8.285  -18.712 1.00 2.63  1   O  1 
HETATM 2224 C C19 . LIG_O  O  15 .   ? 6.423   -9.258  -17.870 1.00 1.84  1   O  1 
HETATM 2225 C C20 . LIG_O  O  15 .   ? 6.631   -10.539 -18.517 1.00 1.84  1   O  1 
HETATM 2226 C C21 . LIG_O  O  15 .   ? 7.446   -11.431 -17.662 1.00 1.82  1   O  1 
HETATM 2227 O O3  . LIG_O  O  15 .   ? 6.719   -11.880 -16.674 1.00 1.80  1   O  1 
HETATM 2228 P P1  . LIG_O  O  15 .   ? 7.236   -12.978 -15.740 1.00 1.71  1   O  1 
HETATM 2229 O O4  . LIG_O  O  15 .   ? 8.653   -13.143 -15.867 1.00 1.50  1   O  1 
HETATM 2230 O O5  . LIG_O  O  15 .   ? 6.395   -14.090 -15.828 1.00 1.62  1   O  1 
HETATM 2231 O O6  . LIG_O  O  15 .   ? 6.983   -12.248 -14.397 1.00 1.68  1   O  1 
HETATM 2232 C C22 . LIG_O  O  15 .   ? 5.923   -11.706 -14.023 1.00 2.28  1   O  1 
HETATM 2233 C C23 . LIG_O  O  15 .   ? 6.180   -10.845 -12.948 1.00 1.90  1   O  1 
HETATM 2234 N N1  . LIG_O  O  15 .   ? 6.299   -9.514  -13.221 1.00 3.25  1   O  1 
HETATM 2235 C C24 . LIG_O  O  15 .   ? 6.660   -8.857  -12.068 1.00 2.06  1   O  1 
HETATM 2236 C C25 . LIG_O  O  15 .   ? 5.085   -9.046  -13.702 1.00 2.10  1   O  1 
HETATM 2237 C C26 . LIG_O  O  15 .   ? 7.282   -9.253  -14.193 1.00 2.30  1   O  1 
HETATM 2238 O O7  . LIG_O  O  15 .   ? 7.356   -10.368 -19.670 1.00 1.90  1   O  1 
HETATM 2239 C C27 . LIG_O  O  15 .   ? 6.882   -10.911 -20.687 1.00 1.85  1   O  1 
HETATM 2240 O O8  . LIG_O  O  15 .   ? 5.940   -11.617 -20.648 1.00 1.90  1   O  1 
HETATM 2241 C C28 . LIG_O  O  15 .   ? 7.449   -10.540 -21.785 1.00 1.76  1   O  1 
HETATM 2242 C C29 . LIG_O  O  15 .   ? 7.324   -9.603  -22.427 1.00 1.88  1   O  1 
HETATM 2243 C C30 . LIG_O  O  15 .   ? 7.246   -8.714  -23.074 1.00 1.93  1   O  1 
HETATM 2244 C C31 . LIG_O  O  15 .   ? 7.094   -7.782  -23.687 1.00 1.77  1   O  1 
HETATM 2245 C C32 . LIG_O  O  15 .   ? 6.959   -6.887  -24.323 1.00 2.09  1   O  1 
HETATM 2246 C C33 . LIG_O  O  15 .   ? 6.799   -5.997  -24.980 1.00 1.89  1   O  1 
HETATM 2247 C C34 . LIG_O  O  15 .   ? 6.605   -5.131  -25.673 1.00 1.87  1   O  1 
HETATM 2248 C C35 . LIG_O  O  15 .   ? 6.383   -4.279  -26.377 1.00 1.85  1   O  1 
HETATM 2249 C C36 . LIG_O  O  15 .   ? 6.130   -3.434  -27.094 1.00 1.99  1   O  1 
HETATM 2250 C C37 . LIG_O  O  15 .   ? 5.843   -2.600  -27.825 1.00 1.97  1   O  1 
HETATM 2251 C C38 . LIG_O  O  15 .   ? 5.530   -1.766  -28.565 1.00 1.71  1   O  1 
HETATM 2252 C C39 . LIG_O  O  15 .   ? 5.190   -0.907  -29.302 1.00 1.88  1   O  1 
HETATM 2253 C C40 . LIG_O  O  15 .   ? 4.830   -0.053  -30.008 1.00 2.03  1   O  1 
HETATM 2254 C C41 . LIG_O  O  15 .   ? 4.439   0.780   -30.702 1.00 1.72  1   O  1 
HETATM 2255 C C42 . LIG_O  O  15 .   ? 4.058   1.535   -31.400 1.00 1.71  1   O  1 
HETATM 2256 C C43 . LIG_O  O  15 .   ? 3.686   2.221   -32.168 1.00 1.44  1   O  1 
HETATM 2257 C C44 . LIG_O  O  15 .   ? 3.302   2.863   -33.115 1.00 1.51  1   O  1 
HETATM 2258 C C1  . LIG_P  P  16 .   ? 14.984  -1.508  -30.251 1.00 2.10  1   P  1 
HETATM 2259 C C2  . LIG_P  P  16 .   ? 15.705  -1.995  -30.456 1.00 2.41  1   P  1 
HETATM 2260 C C3  . LIG_P  P  16 .   ? 16.201  -2.783  -29.883 1.00 2.36  1   P  1 
HETATM 2261 C C4  . LIG_P  P  16 .   ? 16.390  -3.387  -29.039 1.00 2.75  1   P  1 
HETATM 2262 C C5  . LIG_P  P  16 .   ? 16.540  -3.988  -28.150 1.00 2.42  1   P  1 
HETATM 2263 C C6  . LIG_P  P  16 .   ? 16.595  -4.532  -27.226 1.00 2.08  1   P  1 
HETATM 2264 C C7  . LIG_P  P  16 .   ? 16.617  -5.078  -26.325 1.00 2.08  1   P  1 
HETATM 2265 C C8  . LIG_P  P  16 .   ? 16.618  -5.640  -25.414 1.00 1.96  1   P  1 
HETATM 2266 C C9  . LIG_P  P  16 .   ? 16.598  -6.189  -24.506 1.00 2.04  1   P  1 
HETATM 2267 C C10 . LIG_P  P  16 .   ? 16.539  -6.763  -23.565 1.00 2.00  1   P  1 
HETATM 2268 C C11 . LIG_P  P  16 .   ? 16.497  -7.327  -22.654 1.00 2.05  1   P  1 
HETATM 2269 C C12 . LIG_P  P  16 .   ? 16.443  -7.868  -21.694 1.00 2.13  1   P  1 
HETATM 2270 C C13 . LIG_P  P  16 .   ? 16.403  -8.393  -20.756 1.00 1.71  1   P  1 
HETATM 2271 C C14 . LIG_P  P  16 .   ? 16.359  -8.899  -19.770 1.00 1.67  1   P  1 
HETATM 2272 C C15 . LIG_P  P  16 .   ? 16.347  -9.366  -18.824 1.00 1.66  1   P  1 
HETATM 2273 C C16 . LIG_P  P  16 .   ? 16.321  -9.798  -17.770 1.00 1.69  1   P  1 
HETATM 2274 C C17 . LIG_P  P  16 .   ? 16.267  -10.258 -16.889 1.00 1.43  1   P  1 
HETATM 2275 C C18 . LIG_P  P  16 .   ? 16.189  -10.590 -15.681 1.00 1.51  1   P  1 
HETATM 2276 O O1  . LIG_P  P  16 .   ? 16.883  -10.098 -14.897 1.00 2.30  1   P  1 
HETATM 2277 O O2  . LIG_P  P  16 .   ? 15.315  -11.382 -15.422 1.00 2.12  1   P  1 
HETATM 2278 C C19 . LIG_P  P  16 .   ? 15.162  -11.671 -14.162 1.00 1.58  1   P  1 
HETATM 2279 C C20 . LIG_P  P  16 .   ? 13.776  -11.651 -13.772 1.00 1.71  1   P  1 
HETATM 2280 C C21 . LIG_P  P  16 .   ? 13.503  -12.535 -12.617 1.00 1.73  1   P  1 
HETATM 2281 O O3  . LIG_P  P  16 .   ? 14.600  -12.835 -11.940 1.00 1.68  1   P  1 
HETATM 2282 P P1  . LIG_P  P  16 .   ? 14.540  -13.695 -10.662 1.00 1.69  1   P  1 
HETATM 2283 O O4  . LIG_P  P  16 .   ? 15.584  -13.282 -9.818  1.00 1.48  1   P  1 
HETATM 2284 O O5  . LIG_P  P  16 .   ? 13.224  -13.769 -10.160 1.00 1.54  1   P  1 
HETATM 2285 O O6  . LIG_P  P  16 .   ? 14.836  -15.078 -11.267 1.00 1.58  1   P  1 
HETATM 2286 C C22 . LIG_P  P  16 .   ? 15.916  -15.692 -11.117 1.00 1.83  1   P  1 
HETATM 2287 C C23 . LIG_P  P  16 .   ? 15.873  -17.017 -11.543 1.00 1.61  1   P  1 
HETATM 2288 N N1  . LIG_P  P  16 .   ? 15.788  -17.294 -12.887 1.00 2.96  1   P  1 
HETATM 2289 C C24 . LIG_P  P  16 .   ? 16.697  -16.478 -13.587 1.00 1.84  1   P  1 
HETATM 2290 C C25 . LIG_P  P  16 .   ? 14.479  -17.025 -13.333 1.00 1.93  1   P  1 
HETATM 2291 C C26 . LIG_P  P  16 .   ? 16.055  -18.622 -13.102 1.00 1.85  1   P  1 
HETATM 2292 O O7  . LIG_P  P  16 .   ? 12.999  -12.127 -14.793 1.00 1.83  1   P  1 
HETATM 2293 C C27 . LIG_P  P  16 .   ? 12.111  -11.326 -15.178 1.00 1.79  1   P  1 
HETATM 2294 O O8  . LIG_P  P  16 .   ? 11.781  -10.394 -14.519 1.00 1.92  1   P  1 
HETATM 2295 C C28 . LIG_P  P  16 .   ? 11.661  -11.511 -16.371 1.00 1.70  1   P  1 
HETATM 2296 C C29 . LIG_P  P  16 .   ? 11.582  -10.806 -17.257 1.00 1.85  1   P  1 
HETATM 2297 C C30 . LIG_P  P  16 .   ? 11.562  -10.203 -18.164 1.00 1.87  1   P  1 
HETATM 2298 C C31 . LIG_P  P  16 .   ? 11.637  -9.479  -19.018 1.00 1.69  1   P  1 
HETATM 2299 C C32 . LIG_P  P  16 .   ? 11.757  -8.783  -19.858 1.00 2.01  1   P  1 
HETATM 2300 C C33 . LIG_P  P  16 .   ? 11.910  -8.056  -20.702 1.00 1.82  1   P  1 
HETATM 2301 C C34 . LIG_P  P  16 .   ? 12.068  -7.334  -21.549 1.00 1.79  1   P  1 
HETATM 2302 C C35 . LIG_P  P  16 .   ? 12.231  -6.611  -22.420 1.00 1.78  1   P  1 
HETATM 2303 C C36 . LIG_P  P  16 .   ? 12.387  -5.895  -23.294 1.00 1.96  1   P  1 
HETATM 2304 C C37 . LIG_P  P  16 .   ? 12.525  -5.181  -24.193 1.00 1.91  1   P  1 
HETATM 2305 C C38 . LIG_P  P  16 .   ? 12.657  -4.470  -25.096 1.00 1.74  1   P  1 
HETATM 2306 C C39 . LIG_P  P  16 .   ? 12.801  -3.745  -26.010 1.00 1.93  1   P  1 
HETATM 2307 C C40 . LIG_P  P  16 .   ? 12.945  -3.037  -26.913 1.00 2.05  1   P  1 
HETATM 2308 C C41 . LIG_P  P  16 .   ? 13.102  -2.338  -27.827 1.00 1.83  1   P  1 
HETATM 2309 C C42 . LIG_P  P  16 .   ? 13.246  -1.660  -28.679 1.00 1.75  1   P  1 
HETATM 2310 C C43 . LIG_P  P  16 .   ? 13.317  -0.944  -29.510 1.00 1.46  1   P  1 
HETATM 2311 C C44 . LIG_P  P  16 .   ? 13.311  -0.100  -30.379 1.00 1.49  1   P  1 
HETATM 2312 C C1  . LIG_Q  Q  17 .   ? 22.548  14.309  -22.666 1.00 1.91  1   Q  1 
HETATM 2313 C C2  . LIG_Q  Q  17 .   ? 22.985  14.432  -21.896 1.00 2.22  1   Q  1 
HETATM 2314 C C3  . LIG_Q  Q  17 .   ? 23.395  14.175  -20.901 1.00 2.12  1   Q  1 
HETATM 2315 C C4  . LIG_Q  Q  17 .   ? 23.759  13.787  -19.958 1.00 2.23  1   Q  1 
HETATM 2316 C C5  . LIG_Q  Q  17 .   ? 24.082  13.300  -19.015 1.00 2.01  1   Q  1 
HETATM 2317 C C6  . LIG_Q  Q  17 .   ? 24.335  12.708  -18.101 1.00 1.73  1   Q  1 
HETATM 2318 C C7  . LIG_Q  Q  17 .   ? 24.538  12.064  -17.226 1.00 1.78  1   Q  1 
HETATM 2319 C C8  . LIG_Q  Q  17 .   ? 24.716  11.388  -16.364 1.00 1.64  1   Q  1 
HETATM 2320 C C9  . LIG_Q  Q  17 .   ? 24.854  10.688  -15.516 1.00 1.73  1   Q  1 
HETATM 2321 C C10 . LIG_Q  Q  17 .   ? 24.965  9.964   -14.622 1.00 1.85  1   Q  1 
HETATM 2322 C C11 . LIG_Q  Q  17 .   ? 25.057  9.267   -13.746 1.00 1.71  1   Q  1 
HETATM 2323 C C12 . LIG_Q  Q  17 .   ? 25.113  8.541   -12.851 1.00 1.88  1   Q  1 
HETATM 2324 C C13 . LIG_Q  Q  17 .   ? 25.171  7.866   -11.953 1.00 1.51  1   Q  1 
HETATM 2325 C C14 . LIG_Q  Q  17 .   ? 25.157  7.130   -11.074 1.00 1.47  1   Q  1 
HETATM 2326 C C15 . LIG_Q  Q  17 .   ? 25.198  6.496   -10.178 1.00 1.44  1   Q  1 
HETATM 2327 C C16 . LIG_Q  Q  17 .   ? 25.122  5.729   -9.301  1.00 1.46  1   Q  1 
HETATM 2328 C C17 . LIG_Q  Q  17 .   ? 25.273  5.241   -8.346  1.00 1.30  1   Q  1 
HETATM 2329 C C18 . LIG_Q  Q  17 .   ? 25.080  4.271   -7.523  1.00 1.32  1   Q  1 
HETATM 2330 O O1  . LIG_Q  Q  17 .   ? 25.665  4.180   -6.518  1.00 1.86  1   Q  1 
HETATM 2331 O O2  . LIG_Q  Q  17 .   ? 24.202  3.494   -7.899  1.00 1.73  1   Q  1 
HETATM 2332 C C19 . LIG_Q  Q  17 .   ? 23.985  2.419   -7.185  1.00 1.28  1   Q  1 
HETATM 2333 C C20 . LIG_Q  Q  17 .   ? 23.297  1.366   -7.930  1.00 1.33  1   Q  1 
HETATM 2334 C C21 . LIG_Q  Q  17 .   ? 23.746  0.029   -7.471  1.00 1.32  1   Q  1 
HETATM 2335 O O3  . LIG_Q  Q  17 .   ? 23.733  -0.061  -6.154  1.00 1.35  1   Q  1 
HETATM 2336 P P1  . LIG_Q  Q  17 .   ? 23.631  -1.428  -5.443  1.00 1.27  1   Q  1 
HETATM 2337 O O4  . LIG_Q  Q  17 .   ? 24.012  -1.242  -4.088  1.00 1.21  1   Q  1 
HETATM 2338 O O5  . LIG_Q  Q  17 .   ? 24.211  -2.458  -6.190  1.00 1.20  1   Q  1 
HETATM 2339 O O6  . LIG_Q  Q  17 .   ? 22.099  -1.626  -5.476  1.00 1.32  1   Q  1 
HETATM 2340 C C22 . LIG_Q  Q  17 .   ? 21.320  -0.840  -4.944  1.00 1.40  1   Q  1 
HETATM 2341 C C23 . LIG_Q  Q  17 .   ? 20.194  -1.442  -4.406  1.00 1.38  1   Q  1 
HETATM 2342 N N1  . LIG_Q  Q  17 .   ? 19.042  -1.294  -5.093  1.00 2.45  1   Q  1 
HETATM 2343 C C24 . LIG_Q  Q  17 .   ? 18.029  -1.815  -4.301  1.00 1.58  1   Q  1 
HETATM 2344 C C25 . LIG_Q  Q  17 .   ? 18.854  0.059   -5.354  1.00 1.56  1   Q  1 
HETATM 2345 C C26 . LIG_Q  Q  17 .   ? 19.088  -2.004  -6.313  1.00 1.67  1   Q  1 
HETATM 2346 O O7  . LIG_Q  Q  17 .   ? 23.625  1.451   -9.249  1.00 1.49  1   Q  1 
HETATM 2347 C C27 . LIG_Q  Q  17 .   ? 22.663  1.502   -10.048 1.00 1.51  1   Q  1 
HETATM 2348 O O8  . LIG_Q  Q  17 .   ? 21.567  1.170   -9.748  1.00 1.62  1   Q  1 
HETATM 2349 C C28 . LIG_Q  Q  17 .   ? 22.961  1.988   -11.209 1.00 1.44  1   Q  1 
HETATM 2350 C C29 . LIG_Q  Q  17 .   ? 22.672  2.630   -12.063 1.00 1.58  1   Q  1 
HETATM 2351 C C30 . LIG_Q  Q  17 .   ? 22.665  3.243   -13.020 1.00 1.63  1   Q  1 
HETATM 2352 C C31 . LIG_Q  Q  17 .   ? 22.587  3.886   -13.937 1.00 1.54  1   Q  1 
HETATM 2353 C C32 . LIG_Q  Q  17 .   ? 22.530  4.533   -14.865 1.00 1.70  1   Q  1 
HETATM 2354 C C33 . LIG_Q  Q  17 .   ? 22.428  5.196   -15.786 1.00 1.61  1   Q  1 
HETATM 2355 C C34 . LIG_Q  Q  17 .   ? 22.304  5.883   -16.708 1.00 1.60  1   Q  1 
HETATM 2356 C C35 . LIG_Q  Q  17 .   ? 22.162  6.589   -17.609 1.00 1.60  1   Q  1 
HETATM 2357 C C36 . LIG_Q  Q  17 .   ? 22.021  7.325   -18.497 1.00 1.69  1   Q  1 
HETATM 2358 C C37 . LIG_Q  Q  17 .   ? 21.885  8.096   -19.364 1.00 1.72  1   Q  1 
HETATM 2359 C C38 . LIG_Q  Q  17 .   ? 21.769  8.914   -20.197 1.00 1.53  1   Q  1 
HETATM 2360 C C39 . LIG_Q  Q  17 .   ? 21.684  9.786   -20.996 1.00 1.69  1   Q  1 
HETATM 2361 C C40 . LIG_Q  Q  17 .   ? 21.624  10.679  -21.740 1.00 1.77  1   Q  1 
HETATM 2362 C C41 . LIG_Q  Q  17 .   ? 21.592  11.602  -22.445 1.00 1.56  1   Q  1 
HETATM 2363 C C42 . LIG_Q  Q  17 .   ? 21.587  12.503  -23.104 1.00 1.59  1   Q  1 
HETATM 2364 C C43 . LIG_Q  Q  17 .   ? 21.513  13.386  -23.788 1.00 1.39  1   Q  1 
HETATM 2365 C C44 . LIG_Q  Q  17 .   ? 21.393  14.300  -24.568 1.00 1.47  1   Q  1 
HETATM 2366 C C1  . LIG_R  R  18 .   ? 18.897  18.711  -19.022 1.00 1.94  1   R  1 
HETATM 2367 C C2  . LIG_R  R  18 .   ? 19.557  18.478  -19.253 1.00 2.09  1   R  1 
HETATM 2368 C C3  . LIG_R  R  18 .   ? 20.228  17.850  -18.782 1.00 1.95  1   R  1 
HETATM 2369 C C4  . LIG_R  R  18 .   ? 20.660  17.172  -18.166 1.00 2.22  1   R  1 
HETATM 2370 C C5  . LIG_R  R  18 .   ? 20.978  16.484  -17.429 1.00 2.05  1   R  1 
HETATM 2371 C C6  . LIG_R  R  18 .   ? 21.091  15.839  -16.608 1.00 1.81  1   R  1 
HETATM 2372 C C7  . LIG_R  R  18 .   ? 21.115  15.226  -15.746 1.00 1.81  1   R  1 
HETATM 2373 C C8  . LIG_R  R  18 .   ? 21.088  14.636  -14.858 1.00 1.71  1   R  1 
HETATM 2374 C C9  . LIG_R  R  18 .   ? 21.065  14.074  -13.958 1.00 1.79  1   R  1 
HETATM 2375 C C10 . LIG_R  R  18 .   ? 21.066  13.499  -13.002 1.00 1.88  1   R  1 
HETATM 2376 C C11 . LIG_R  R  18 .   ? 21.118  12.959  -12.055 1.00 1.75  1   R  1 
HETATM 2377 C C12 . LIG_R  R  18 .   ? 21.177  12.402  -11.083 1.00 1.87  1   R  1 
HETATM 2378 C C13 . LIG_R  R  18 .   ? 21.275  11.846  -10.138 1.00 1.51  1   R  1 
HETATM 2379 C C14 . LIG_R  R  18 .   ? 21.340  11.268  -9.164  1.00 1.45  1   R  1 
HETATM 2380 C C15 . LIG_R  R  18 .   ? 21.454  10.749  -8.232  1.00 1.43  1   R  1 
HETATM 2381 C C16 . LIG_R  R  18 .   ? 21.504  10.150  -7.245  1.00 1.42  1   R  1 
HETATM 2382 C C17 . LIG_R  R  18 .   ? 21.770  9.752   -6.331  1.00 1.30  1   R  1 
HETATM 2383 C C18 . LIG_R  R  18 .   ? 21.670  9.089   -5.241  1.00 1.32  1   R  1 
HETATM 2384 O O1  . LIG_R  R  18 .   ? 21.195  8.034   -5.218  1.00 1.96  1   R  1 
HETATM 2385 O O2  . LIG_R  R  18 .   ? 22.090  9.692   -4.277  1.00 1.76  1   R  1 
HETATM 2386 C C19 . LIG_R  R  18 .   ? 21.841  9.197   -3.103  1.00 1.26  1   R  1 
HETATM 2387 C C20 . LIG_R  R  18 .   ? 22.152  10.150  -2.052  1.00 1.27  1   R  1 
HETATM 2388 C C21 . LIG_R  R  18 .   ? 21.545  9.626   -0.821  1.00 1.28  1   R  1 
HETATM 2389 O O3  . LIG_R  R  18 .   ? 22.318  9.841   0.202   1.00 1.33  1   R  1 
HETATM 2390 P P1  . LIG_R  R  18 .   ? 21.960  9.321   1.589   1.00 1.23  1   R  1 
HETATM 2391 O O4  . LIG_R  R  18 .   ? 21.127  10.289  2.237   1.00 1.22  1   R  1 
HETATM 2392 O O5  . LIG_R  R  18 .   ? 21.556  7.994   1.541   1.00 1.21  1   R  1 
HETATM 2393 O O6  . LIG_R  R  18 .   ? 23.369  9.462   2.184   1.00 1.27  1   R  1 
HETATM 2394 C C22 . LIG_R  R  18 .   ? 24.185  8.541   2.321   1.00 1.35  1   R  1 
HETATM 2395 C C23 . LIG_R  R  18 .   ? 25.441  9.025   2.644   1.00 1.29  1   R  1 
HETATM 2396 N N1  . LIG_R  R  18 .   ? 25.829  9.025   3.955   1.00 2.07  1   R  1 
HETATM 2397 C C24 . LIG_R  R  18 .   ? 25.904  7.700   4.412   1.00 1.31  1   R  1 
HETATM 2398 C C25 . LIG_R  R  18 .   ? 27.082  9.616   4.044   1.00 1.37  1   R  1 
HETATM 2399 C C26 . LIG_R  R  18 .   ? 24.911  9.745   4.756   1.00 1.36  1   R  1 
HETATM 2400 O O7  . LIG_R  R  18 .   ? 21.550  11.372  -2.328  1.00 1.48  1   R  1 
HETATM 2401 C C27 . LIG_R  R  18 .   ? 22.330  12.323  -2.625  1.00 1.44  1   R  1 
HETATM 2402 O O8  . LIG_R  R  18 .   ? 23.486  12.254  -2.405  1.00 1.61  1   R  1 
HETATM 2403 C C28 . LIG_R  R  18 .   ? 21.758  13.328  -3.247  1.00 1.40  1   R  1 
HETATM 2404 C C29 . LIG_R  R  18 .   ? 21.741  13.889  -4.214  1.00 1.58  1   R  1 
HETATM 2405 C C30 . LIG_R  R  18 .   ? 21.405  14.498  -5.118  1.00 1.64  1   R  1 
HETATM 2406 C C31 . LIG_R  R  18 .   ? 21.098  14.962  -6.086  1.00 1.59  1   R  1 
HETATM 2407 C C32 . LIG_R  R  18 .   ? 20.706  15.435  -7.023  1.00 1.78  1   R  1 
HETATM 2408 C C33 . LIG_R  R  18 .   ? 20.304  15.837  -7.990  1.00 1.63  1   R  1 
HETATM 2409 C C34 . LIG_R  R  18 .   ? 19.870  16.225  -8.963  1.00 1.64  1   R  1 
HETATM 2410 C C35 . LIG_R  R  18 .   ? 19.438  16.584  -9.948  1.00 1.64  1   R  1 
HETATM 2411 C C36 . LIG_R  R  18 .   ? 19.030  16.927  -10.958 1.00 1.74  1   R  1 
HETATM 2412 C C37 . LIG_R  R  18 .   ? 18.667  17.263  -11.998 1.00 1.73  1   R  1 
HETATM 2413 C C38 . LIG_R  R  18 .   ? 18.363  17.592  -13.056 1.00 1.56  1   R  1 
HETATM 2414 C C39 . LIG_R  R  18 .   ? 18.127  17.931  -14.150 1.00 1.72  1   R  1 
HETATM 2415 C C40 . LIG_R  R  18 .   ? 17.990  18.250  -15.226 1.00 1.77  1   R  1 
HETATM 2416 C C41 . LIG_R  R  18 .   ? 17.910  18.539  -16.316 1.00 1.53  1   R  1 
HETATM 2417 C C42 . LIG_R  R  18 .   ? 17.908  18.817  -17.362 1.00 1.55  1   R  1 
HETATM 2418 C C43 . LIG_R  R  18 .   ? 17.899  19.092  -18.399 1.00 1.37  1   R  1 
HETATM 2419 C C44 . LIG_R  R  18 .   ? 17.846  19.432  -19.571 1.00 1.44  1   R  1 
HETATM 2420 C C1  . LIG_S  S  19 .   ? 0.217   9.562   -28.045 1.00 2.15  1   S  1 
HETATM 2421 C C2  . LIG_S  S  19 .   ? 0.572   9.791   -27.240 1.00 2.17  1   S  1 
HETATM 2422 C C3  . LIG_S  S  19 .   ? 0.875   9.579   -26.202 1.00 2.18  1   S  1 
HETATM 2423 C C4  . LIG_S  S  19 .   ? 1.097   9.184   -25.229 1.00 2.39  1   S  1 
HETATM 2424 C C5  . LIG_S  S  19 .   ? 1.248   8.687   -24.259 1.00 2.23  1   S  1 
HETATM 2425 C C6  . LIG_S  S  19 .   ? 1.328   8.125   -23.307 1.00 2.03  1   S  1 
HETATM 2426 C C7  . LIG_S  S  19 .   ? 1.386   7.557   -22.369 1.00 2.06  1   S  1 
HETATM 2427 C C8  . LIG_S  S  19 .   ? 1.426   6.950   -21.453 1.00 1.97  1   S  1 
HETATM 2428 C C9  . LIG_S  S  19 .   ? 1.428   6.344   -20.557 1.00 2.12  1   S  1 
HETATM 2429 C C10 . LIG_S  S  19 .   ? 1.402   5.673   -19.643 1.00 2.23  1   S  1 
HETATM 2430 C C11 . LIG_S  S  19 .   ? 1.304   5.013   -18.772 1.00 2.16  1   S  1 
HETATM 2431 C C12 . LIG_S  S  19 .   ? 1.159   4.308   -17.905 1.00 2.32  1   S  1 
HETATM 2432 C C13 . LIG_S  S  19 .   ? 0.919   3.591   -17.088 1.00 1.79  1   S  1 
HETATM 2433 C C14 . LIG_S  S  19 .   ? 0.675   2.855   -16.272 1.00 1.79  1   S  1 
HETATM 2434 C C15 . LIG_S  S  19 .   ? 0.294   2.151   -15.533 1.00 1.98  1   S  1 
HETATM 2435 C C16 . LIG_S  S  19 .   ? 0.043   1.394   -14.724 1.00 2.01  1   S  1 
HETATM 2436 C C17 . LIG_S  S  19 .   ? -0.422  0.671   -14.103 1.00 1.69  1   S  1 
HETATM 2437 C C18 . LIG_S  S  19 .   ? -0.281  -0.210  -13.185 1.00 1.88  1   S  1 
HETATM 2438 O O1  . LIG_S  S  19 .   ? 0.535   -0.089  -12.356 1.00 2.69  1   S  1 
HETATM 2439 O O2  . LIG_S  S  19 .   ? -1.041  -1.157  -13.279 1.00 2.51  1   S  1 
HETATM 2440 C C19 . LIG_S  S  19 .   ? -0.781  -2.180  -12.514 1.00 1.86  1   S  1 
HETATM 2441 C C20 . LIG_S  S  19 .   ? -1.146  -3.442  -13.161 1.00 1.90  1   S  1 
HETATM 2442 C C21 . LIG_S  S  19 .   ? -0.679  -4.563  -12.330 1.00 2.00  1   S  1 
HETATM 2443 O O3  . LIG_S  S  19 .   ? -1.101  -4.362  -11.092 1.00 1.99  1   S  1 
HETATM 2444 P P1  . LIG_S  S  19 .   ? -0.989  -5.437  -10.024 1.00 1.90  1   S  1 
HETATM 2445 O O4  . LIG_S  S  19 .   ? -1.742  -4.976  -8.891  1.00 1.67  1   S  1 
HETATM 2446 O O5  . LIG_S  S  19 .   ? 0.328   -5.880  -9.858  1.00 1.62  1   S  1 
HETATM 2447 O O6  . LIG_S  S  19 .   ? -1.763  -6.549  -10.741 1.00 1.76  1   S  1 
HETATM 2448 C C22 . LIG_S  S  19 .   ? -2.604  -7.291  -10.241 1.00 2.48  1   S  1 
HETATM 2449 C C23 . LIG_S  S  19 .   ? -2.840  -8.423  -11.011 1.00 2.09  1   S  1 
HETATM 2450 N N1  . LIG_S  S  19 .   ? -3.510  -8.305  -12.209 1.00 3.41  1   S  1 
HETATM 2451 C C24 . LIG_S  S  19 .   ? -2.584  -8.127  -13.248 1.00 2.32  1   S  1 
HETATM 2452 C C25 . LIG_S  S  19 .   ? -4.200  -9.472  -12.452 1.00 2.36  1   S  1 
HETATM 2453 C C26 . LIG_S  S  19 .   ? -4.389  -7.211  -12.170 1.00 2.56  1   S  1 
HETATM 2454 O O7  . LIG_S  S  19 .   ? -0.507  -3.478  -14.370 1.00 1.93  1   S  1 
HETATM 2455 C C27 . LIG_S  S  19 .   ? -1.262  -3.645  -15.369 1.00 2.04  1   S  1 
HETATM 2456 O O8  . LIG_S  S  19 .   ? -2.242  -4.286  -15.293 1.00 1.99  1   S  1 
HETATM 2457 C C28 . LIG_S  S  19 .   ? -0.881  -3.037  -16.451 1.00 1.97  1   S  1 
HETATM 2458 C C29 . LIG_S  S  19 .   ? -0.980  -2.162  -17.151 1.00 2.12  1   S  1 
HETATM 2459 C C30 . LIG_S  S  19 .   ? -0.909  -1.403  -18.017 1.00 2.13  1   S  1 
HETATM 2460 C C31 . LIG_S  S  19 .   ? -0.936  -0.601  -18.817 1.00 1.85  1   S  1 
HETATM 2461 C C32 . LIG_S  S  19 .   ? -0.919  0.153   -19.665 1.00 2.18  1   S  1 
HETATM 2462 C C33 . LIG_S  S  19 .   ? -0.916  0.908   -20.527 1.00 1.92  1   S  1 
HETATM 2463 C C34 . LIG_S  S  19 .   ? -0.909  1.638   -21.426 1.00 1.88  1   S  1 
HETATM 2464 C C35 . LIG_S  S  19 .   ? -0.886  2.353   -22.327 1.00 1.94  1   S  1 
HETATM 2465 C C36 . LIG_S  S  19 .   ? -0.856  3.062   -23.242 1.00 2.00  1   S  1 
HETATM 2466 C C37 . LIG_S  S  19 .   ? -0.828  3.780   -24.155 1.00 1.97  1   S  1 
HETATM 2467 C C38 . LIG_S  S  19 .   ? -0.797  4.517   -25.064 1.00 1.74  1   S  1 
HETATM 2468 C C39 . LIG_S  S  19 .   ? -0.779  5.277   -25.966 1.00 1.92  1   S  1 
HETATM 2469 C C40 . LIG_S  S  19 .   ? -0.758  6.051   -26.836 1.00 1.93  1   S  1 
HETATM 2470 C C41 . LIG_S  S  19 .   ? -0.728  6.845   -27.674 1.00 1.63  1   S  1 
HETATM 2471 C C42 . LIG_S  S  19 .   ? -0.690  7.611   -28.484 1.00 1.60  1   S  1 
HETATM 2472 C C43 . LIG_S  S  19 .   ? -0.671  8.342   -29.313 1.00 1.41  1   S  1 
HETATM 2473 C C44 . LIG_S  S  19 .   ? -0.681  9.089   -30.244 1.00 1.46  1   S  1 
HETATM 2474 C C1  . LIG_T  T  20 .   ? 19.992  7.213   -29.635 1.00 1.93  1   T  1 
HETATM 2475 C C2  . LIG_T  T  20 .   ? 20.133  6.542   -29.855 1.00 2.17  1   T  1 
HETATM 2476 C C3  . LIG_T  T  20 .   ? 20.421  5.631   -29.396 1.00 2.07  1   T  1 
HETATM 2477 C C4  . LIG_T  T  20 .   ? 20.734  4.861   -28.755 1.00 2.40  1   T  1 
HETATM 2478 C C5  . LIG_T  T  20 .   ? 21.034  4.124   -28.006 1.00 2.08  1   T  1 
HETATM 2479 C C6  . LIG_T  T  20 .   ? 21.314  3.457   -27.200 1.00 1.83  1   T  1 
HETATM 2480 C C7  . LIG_T  T  20 .   ? 21.569  2.814   -26.362 1.00 1.75  1   T  1 
HETATM 2481 C C8  . LIG_T  T  20 .   ? 21.816  2.193   -25.504 1.00 1.66  1   T  1 
HETATM 2482 C C9  . LIG_T  T  20 .   ? 22.054  1.572   -24.640 1.00 1.73  1   T  1 
HETATM 2483 C C10 . LIG_T  T  20 .   ? 22.293  0.908   -23.742 1.00 1.73  1   T  1 
HETATM 2484 C C11 . LIG_T  T  20 .   ? 22.518  0.232   -22.881 1.00 1.71  1   T  1 
HETATM 2485 C C12 . LIG_T  T  20 .   ? 22.744  -0.456  -21.997 1.00 1.85  1   T  1 
HETATM 2486 C C13 . LIG_T  T  20 .   ? 22.978  -1.148  -21.147 1.00 1.48  1   T  1 
HETATM 2487 C C14 . LIG_T  T  20 .   ? 23.189  -1.884  -20.289 1.00 1.47  1   T  1 
HETATM 2488 C C15 . LIG_T  T  20 .   ? 23.409  -2.587  -19.464 1.00 1.45  1   T  1 
HETATM 2489 C C16 . LIG_T  T  20 .   ? 23.548  -3.377  -18.622 1.00 1.43  1   T  1 
HETATM 2490 C C17 . LIG_T  T  20 .   ? 23.726  -3.984  -17.767 1.00 1.27  1   T  1 
HETATM 2491 C C18 . LIG_T  T  20 .   ? 23.635  -4.955  -16.933 1.00 1.32  1   T  1 
HETATM 2492 O O1  . LIG_T  T  20 .   ? 23.245  -5.992  -17.280 1.00 1.81  1   T  1 
HETATM 2493 O O2  . LIG_T  T  20 .   ? 23.922  -4.687  -15.789 1.00 1.63  1   T  1 
HETATM 2494 C C19 . LIG_T  T  20 .   ? 23.650  -5.578  -14.856 1.00 1.25  1   T  1 
HETATM 2495 C C20 . LIG_T  T  20 .   ? 23.922  -5.000  -13.556 1.00 1.31  1   T  1 
HETATM 2496 C C21 . LIG_T  T  20 .   ? 23.415  -5.865  -12.485 1.00 1.32  1   T  1 
HETATM 2497 O O3  . LIG_T  T  20 .   ? 24.347  -5.953  -11.550 1.00 1.31  1   T  1 
HETATM 2498 P P1  . LIG_T  T  20 .   ? 24.083  -6.230  -10.094 1.00 1.28  1   T  1 
HETATM 2499 O O4  . LIG_T  T  20 .   ? 22.869  -5.659  -9.650  1.00 1.19  1   T  1 
HETATM 2500 O O5  . LIG_T  T  20 .   ? 25.262  -5.924  -9.392  1.00 1.17  1   T  1 
HETATM 2501 O O6  . LIG_T  T  20 .   ? 23.870  -7.784  -10.173 1.00 1.27  1   T  1 
HETATM 2502 C C22 . LIG_T  T  20 .   ? 23.739  -8.544  -9.173  1.00 1.34  1   T  1 
HETATM 2503 C C23 . LIG_T  T  20 .   ? 24.647  -9.610  -9.218  1.00 1.29  1   T  1 
HETATM 2504 N N1  . LIG_T  T  20 .   ? 25.967  -9.382  -8.857  1.00 2.08  1   T  1 
HETATM 2505 C C24 . LIG_T  T  20 .   ? 26.659  -8.801  -9.939  1.00 1.32  1   T  1 
HETATM 2506 C C25 . LIG_T  T  20 .   ? 26.604  -10.566 -8.539  1.00 1.34  1   T  1 
HETATM 2507 C C26 . LIG_T  T  20 .   ? 26.024  -8.528  -7.719  1.00 1.33  1   T  1 
HETATM 2508 O O7  . LIG_T  T  20 .   ? 23.246  -3.777  -13.480 1.00 1.46  1   T  1 
HETATM 2509 C C27 . LIG_T  T  20 .   ? 23.960  -2.743  -13.423 1.00 1.41  1   T  1 
HETATM 2510 O O8  . LIG_T  T  20 .   ? 25.083  -2.779  -13.076 1.00 1.48  1   T  1 
HETATM 2511 C C28 . LIG_T  T  20 .   ? 23.361  -1.649  -13.839 1.00 1.38  1   T  1 
HETATM 2512 C C29 . LIG_T  T  20 .   ? 23.191  -1.066  -14.790 1.00 1.51  1   T  1 
HETATM 2513 C C30 . LIG_T  T  20 .   ? 22.849  -0.330  -15.597 1.00 1.53  1   T  1 
HETATM 2514 C C31 . LIG_T  T  20 .   ? 22.569  0.295   -16.501 1.00 1.47  1   T  1 
HETATM 2515 C C32 . LIG_T  T  20 .   ? 22.245  0.961   -17.358 1.00 1.65  1   T  1 
HETATM 2516 C C33 . LIG_T  T  20 .   ? 21.922  1.591   -18.250 1.00 1.56  1   T  1 
HETATM 2517 C C34 . LIG_T  T  20 .   ? 21.586  2.241   -19.138 1.00 1.54  1   T  1 
HETATM 2518 C C35 . LIG_T  T  20 .   ? 21.264  2.887   -20.032 1.00 1.53  1   T  1 
HETATM 2519 C C36 . LIG_T  T  20 .   ? 20.962  3.530   -20.947 1.00 1.57  1   T  1 
HETATM 2520 C C37 . LIG_T  T  20 .   ? 20.693  4.166   -21.893 1.00 1.63  1   T  1 
HETATM 2521 C C38 . LIG_T  T  20 .   ? 20.460  4.784   -22.867 1.00 1.49  1   T  1 
HETATM 2522 C C39 . LIG_T  T  20 .   ? 20.271  5.397   -23.879 1.00 1.68  1   T  1 
HETATM 2523 C C40 . LIG_T  T  20 .   ? 20.128  5.999   -24.900 1.00 1.76  1   T  1 
HETATM 2524 C C41 . LIG_T  T  20 .   ? 20.019  6.575   -25.937 1.00 1.66  1   T  1 
HETATM 2525 C C42 . LIG_T  T  20 .   ? 19.959  7.141   -26.926 1.00 1.69  1   T  1 
HETATM 2526 C C43 . LIG_T  T  20 .   ? 19.928  7.740   -27.855 1.00 1.45  1   T  1 
HETATM 2527 C C44 . LIG_T  T  20 .   ? 19.928  8.521   -28.821 1.00 1.48  1   T  1 
HETATM 2528 C C1  . LIG_U  U  21 .   ? 10.360  22.850  -17.667 1.00 1.99  1   U  1 
HETATM 2529 C C2  . LIG_U  U  21 .   ? 9.704   22.365  -17.629 1.00 2.05  1   U  1 
HETATM 2530 C C3  . LIG_U  U  21 .   ? 9.209   21.854  -16.816 1.00 1.89  1   U  1 
HETATM 2531 C C4  . LIG_U  U  21 .   ? 8.931   21.468  -15.874 1.00 2.15  1   U  1 
HETATM 2532 C C5  . LIG_U  U  21 .   ? 8.682   21.067  -14.875 1.00 2.04  1   U  1 
HETATM 2533 C C6  . LIG_U  U  21 .   ? 8.541   20.702  -13.846 1.00 1.81  1   U  1 
HETATM 2534 C C7  . LIG_U  U  21 .   ? 8.453   20.336  -12.818 1.00 1.79  1   U  1 
HETATM 2535 C C8  . LIG_U  U  21 .   ? 8.420   19.975  -11.777 1.00 1.72  1   U  1 
HETATM 2536 C C9  . LIG_U  U  21 .   ? 8.411   19.600  -10.751 1.00 1.81  1   U  1 
HETATM 2537 C C10 . LIG_U  U  21 .   ? 8.441   19.175  -9.694  1.00 1.92  1   U  1 
HETATM 2538 C C11 . LIG_U  U  21 .   ? 8.481   18.714  -8.672  1.00 1.85  1   U  1 
HETATM 2539 C C12 . LIG_U  U  21 .   ? 8.553   18.232  -7.642  1.00 1.98  1   U  1 
HETATM 2540 C C13 . LIG_U  U  21 .   ? 8.639   17.712  -6.651  1.00 1.57  1   U  1 
HETATM 2541 C C14 . LIG_U  U  21 .   ? 8.730   17.213  -5.627  1.00 1.54  1   U  1 
HETATM 2542 C C15 . LIG_U  U  21 .   ? 8.803   16.664  -4.690  1.00 1.50  1   U  1 
HETATM 2543 C C16 . LIG_U  U  21 .   ? 8.845   16.140  -3.640  1.00 1.49  1   U  1 
HETATM 2544 C C17 . LIG_U  U  21 .   ? 8.852   15.425  -2.841  1.00 1.32  1   U  1 
HETATM 2545 C C18 . LIG_U  U  21 .   ? 8.861   14.968  -1.623  1.00 1.37  1   U  1 
HETATM 2546 O O1  . LIG_U  U  21 .   ? 8.683   13.835  -1.418  1.00 2.01  1   U  1 
HETATM 2547 O O2  . LIG_U  U  21 .   ? 9.071   15.790  -0.768  1.00 1.85  1   U  1 
HETATM 2548 C C19 . LIG_U  U  21 .   ? 8.995   15.439  0.502   1.00 1.30  1   U  1 
HETATM 2549 C C20 . LIG_U  U  21 .   ? 9.400   16.549  1.343   1.00 1.27  1   U  1 
HETATM 2550 C C21 . LIG_U  U  21 .   ? 8.650   16.613  2.600   1.00 1.28  1   U  1 
HETATM 2551 O O3  . LIG_U  U  21 .   ? 8.528   15.460  3.174   1.00 1.35  1   U  1 
HETATM 2552 P P1  . LIG_U  U  21 .   ? 7.760   15.354  4.480   1.00 1.25  1   U  1 
HETATM 2553 O O4  . LIG_U  U  21 .   ? 7.528   16.623  5.028   1.00 1.20  1   U  1 
HETATM 2554 O O5  . LIG_U  U  21 .   ? 6.689   14.473  4.295   1.00 1.22  1   U  1 
HETATM 2555 O O6  . LIG_U  U  21 .   ? 8.851   14.595  5.272   1.00 1.26  1   U  1 
HETATM 2556 C C22 . LIG_U  U  21 .   ? 9.500   15.034  6.200   1.00 1.34  1   U  1 
HETATM 2557 C C23 . LIG_U  U  21 .   ? 9.996   14.012  6.965   1.00 1.26  1   U  1 
HETATM 2558 N N1  . LIG_U  U  21 .   ? 9.942   14.095  8.311   1.00 1.98  1   U  1 
HETATM 2559 C C24 . LIG_U  U  21 .   ? 10.553  15.270  8.757   1.00 1.29  1   U  1 
HETATM 2560 C C25 . LIG_U  U  21 .   ? 10.601  12.993  8.852   1.00 1.29  1   U  1 
HETATM 2561 C C26 . LIG_U  U  21 .   ? 8.590   14.082  8.732   1.00 1.34  1   U  1 
HETATM 2562 O O7  . LIG_U  U  21 .   ? 9.038   17.714  0.712   1.00 1.49  1   U  1 
HETATM 2563 C C27 . LIG_U  U  21 .   ? 9.944   18.552  0.567   1.00 1.47  1   U  1 
HETATM 2564 O O8  . LIG_U  U  21 .   ? 10.937  18.496  1.206   1.00 1.66  1   U  1 
HETATM 2565 C C28 . LIG_U  U  21 .   ? 9.734   19.426  -0.375  1.00 1.42  1   U  1 
HETATM 2566 C C29 . LIG_U  U  21 .   ? 10.007  19.599  -1.460  1.00 1.59  1   U  1 
HETATM 2567 C C30 . LIG_U  U  21 .   ? 10.114  20.014  -2.520  1.00 1.65  1   U  1 
HETATM 2568 C C31 . LIG_U  U  21 .   ? 10.316  20.250  -3.609  1.00 1.59  1   U  1 
HETATM 2569 C C32 . LIG_U  U  21 .   ? 10.480  20.535  -4.687  1.00 1.80  1   U  1 
HETATM 2570 C C33 . LIG_U  U  21 .   ? 10.676  20.747  -5.788  1.00 1.67  1   U  1 
HETATM 2571 C C34 . LIG_U  U  21 .   ? 10.870  20.980  -6.898  1.00 1.66  1   U  1 
HETATM 2572 C C35 . LIG_U  U  21 .   ? 11.078  21.211  -8.009  1.00 1.64  1   U  1 
HETATM 2573 C C36 . LIG_U  U  21 .   ? 11.289  21.446  -9.124  1.00 1.69  1   U  1 
HETATM 2574 C C37 . LIG_U  U  21 .   ? 11.488  21.690  -10.248 1.00 1.67  1   U  1 
HETATM 2575 C C38 . LIG_U  U  21 .   ? 11.654  21.974  -11.375 1.00 1.53  1   U  1 
HETATM 2576 C C39 . LIG_U  U  21 .   ? 11.777  22.282  -12.514 1.00 1.69  1   U  1 
HETATM 2577 C C40 . LIG_U  U  21 .   ? 11.846  22.610  -13.641 1.00 1.72  1   U  1 
HETATM 2578 C C41 . LIG_U  U  21 .   ? 11.859  22.929  -14.764 1.00 1.49  1   U  1 
HETATM 2579 C C42 . LIG_U  U  21 .   ? 11.849  23.269  -15.828 1.00 1.54  1   U  1 
HETATM 2580 C C43 . LIG_U  U  21 .   ? 11.867  23.659  -16.853 1.00 1.36  1   U  1 
HETATM 2581 C C44 . LIG_U  U  21 .   ? 11.940  24.169  -17.949 1.00 1.41  1   U  1 
HETATM 2582 C C1  . LIG_V  V  22 .   ? 6.620   31.330  -12.027 1.00 1.94  1   V  1 
HETATM 2583 C C2  . LIG_V  V  22 .   ? 6.656   31.929  -11.276 1.00 2.07  1   V  1 
HETATM 2584 C C3  . LIG_V  V  22 .   ? 6.498   32.008  -10.182 1.00 1.88  1   V  1 
HETATM 2585 C C4  . LIG_V  V  22 .   ? 6.265   31.858  -9.129  1.00 2.13  1   V  1 
HETATM 2586 C C5  . LIG_V  V  22 .   ? 6.019   31.601  -8.075  1.00 1.89  1   V  1 
HETATM 2587 C C6  . LIG_V  V  22 .   ? 5.740   31.256  -7.051  1.00 1.67  1   V  1 
HETATM 2588 C C7  . LIG_V  V  22 .   ? 5.459   30.892  -6.043  1.00 1.68  1   V  1 
HETATM 2589 C C8  . LIG_V  V  22 .   ? 5.173   30.498  -5.042  1.00 1.68  1   V  1 
HETATM 2590 C C9  . LIG_V  V  22 .   ? 4.903   30.116  -4.037  1.00 1.77  1   V  1 
HETATM 2591 C C10 . LIG_V  V  22 .   ? 4.618   29.701  -2.999  1.00 1.83  1   V  1 
HETATM 2592 C C11 . LIG_V  V  22 .   ? 4.346   29.309  -1.979  1.00 1.80  1   V  1 
HETATM 2593 C C12 . LIG_V  V  22 .   ? 4.032   28.872  -0.959  1.00 1.89  1   V  1 
HETATM 2594 C C13 . LIG_V  V  22 .   ? 3.719   28.501  0.067   1.00 1.51  1   V  1 
HETATM 2595 C C14 . LIG_V  V  22 .   ? 3.352   28.034  1.050   1.00 1.51  1   V  1 
HETATM 2596 C C15 . LIG_V  V  22 .   ? 3.029   27.704  2.059   1.00 1.45  1   V  1 
HETATM 2597 C C16 . LIG_V  V  22 .   ? 2.630   27.142  3.024   1.00 1.41  1   V  1 
HETATM 2598 C C17 . LIG_V  V  22 .   ? 2.359   26.891  4.065   1.00 1.28  1   V  1 
HETATM 2599 C C18 . LIG_V  V  22 .   ? 1.912   26.016  4.929   1.00 1.29  1   V  1 
HETATM 2600 O O1  . LIG_V  V  22 .   ? 2.231   26.033  6.053   1.00 1.83  1   V  1 
HETATM 2601 O O2  . LIG_V  V  22 .   ? 1.162   25.186  4.455   1.00 1.60  1   V  1 
HETATM 2602 C C19 . LIG_V  V  22 .   ? 0.798   24.133  5.180   1.00 1.26  1   V  1 
HETATM 2603 C C20 . LIG_V  V  22 .   ? 0.038   23.219  4.346   1.00 1.26  1   V  1 
HETATM 2604 C C21 . LIG_V  V  22 .   ? -0.055  21.856  4.850   1.00 1.27  1   V  1 
HETATM 2605 O O3  . LIG_V  V  22 .   ? 0.041   21.761  6.116   1.00 1.27  1   V  1 
HETATM 2606 P P1  . LIG_V  V  22 .   ? -0.004  20.378  6.748   1.00 1.21  1   V  1 
HETATM 2607 O O4  . LIG_V  V  22 .   ? -1.332  20.174  7.230   1.00 1.19  1   V  1 
HETATM 2608 O O5  . LIG_V  V  22 .   ? 0.579   19.429  5.934   1.00 1.20  1   V  1 
HETATM 2609 O O6  . LIG_V  V  22 .   ? 0.945   20.708  7.910   1.00 1.24  1   V  1 
HETATM 2610 C C22 . LIG_V  V  22 .   ? 1.191   19.984  8.899   1.00 1.28  1   V  1 
HETATM 2611 C C23 . LIG_V  V  22 .   ? 1.420   20.766  10.030  1.00 1.25  1   V  1 
HETATM 2612 N N1  . LIG_V  V  22 .   ? 0.326   21.298  10.692  1.00 1.98  1   V  1 
HETATM 2613 C C24 . LIG_V  V  22 .   ? -0.541  20.233  11.067  1.00 1.25  1   V  1 
HETATM 2614 C C25 . LIG_V  V  22 .   ? -0.373  22.195  9.869   1.00 1.32  1   V  1 
HETATM 2615 C C26 . LIG_V  V  22 .   ? 0.750   21.965  11.823  1.00 1.30  1   V  1 
HETATM 2616 O O7  . LIG_V  V  22 .   ? 0.734   23.077  3.180   1.00 1.44  1   V  1 
HETATM 2617 C C27 . LIG_V  V  22 .   ? 0.089   23.378  2.163   1.00 1.41  1   V  1 
HETATM 2618 O O8  . LIG_V  V  22 .   ? -1.083  23.511  2.173   1.00 1.51  1   V  1 
HETATM 2619 C C28 . LIG_V  V  22 .   ? 0.813   23.561  1.121   1.00 1.38  1   V  1 
HETATM 2620 C C29 . LIG_V  V  22 .   ? 0.908   24.161  0.223   1.00 1.54  1   V  1 
HETATM 2621 C C30 . LIG_V  V  22 .   ? 1.285   24.638  -0.717  1.00 1.54  1   V  1 
HETATM 2622 C C31 . LIG_V  V  22 .   ? 1.568   25.150  -1.648  1.00 1.50  1   V  1 
HETATM 2623 C C32 . LIG_V  V  22 .   ? 1.928   25.577  -2.605  1.00 1.69  1   V  1 
HETATM 2624 C C33 . LIG_V  V  22 .   ? 2.270   26.001  -3.579  1.00 1.55  1   V  1 
HETATM 2625 C C34 . LIG_V  V  22 .   ? 2.666   26.379  -4.565  1.00 1.57  1   V  1 
HETATM 2626 C C35 . LIG_V  V  22 .   ? 3.077   26.734  -5.541  1.00 1.56  1   V  1 
HETATM 2627 C C36 . LIG_V  V  22 .   ? 3.508   27.066  -6.524  1.00 1.63  1   V  1 
HETATM 2628 C C37 . LIG_V  V  22 .   ? 3.950   27.412  -7.503  1.00 1.61  1   V  1 
HETATM 2629 C C38 . LIG_V  V  22 .   ? 4.397   27.778  -8.479  1.00 1.48  1   V  1 
HETATM 2630 C C39 . LIG_V  V  22 .   ? 4.848   28.160  -9.459  1.00 1.58  1   V  1 
HETATM 2631 C C40 . LIG_V  V  22 .   ? 5.259   28.587  -10.406 1.00 1.69  1   V  1 
HETATM 2632 C C41 . LIG_V  V  22 .   ? 5.646   29.051  -11.346 1.00 1.48  1   V  1 
HETATM 2633 C C42 . LIG_V  V  22 .   ? 6.005   29.509  -12.237 1.00 1.48  1   V  1 
HETATM 2634 C C43 . LIG_V  V  22 .   ? 6.345   29.916  -13.161 1.00 1.36  1   V  1 
HETATM 2635 C C44 . LIG_V  V  22 .   ? 6.674   30.319  -14.195 1.00 1.42  1   V  1 
HETATM 2636 C C1  . LIG_W  W  23 .   ? -5.686  15.418  -19.469 1.00 2.16  1   W  1 
HETATM 2637 C C2  . LIG_W  W  23 .   ? -6.223  14.582  -19.425 1.00 2.23  1   W  1 
HETATM 2638 C C3  . LIG_W  W  23 .   ? -6.670  13.743  -18.807 1.00 2.04  1   W  1 
HETATM 2639 C C4  . LIG_W  W  23 .   ? -7.077  13.024  -18.079 1.00 2.35  1   W  1 
HETATM 2640 C C5  . LIG_W  W  23 .   ? -7.434  12.333  -17.266 1.00 2.09  1   W  1 
HETATM 2641 C C6  . LIG_W  W  23 .   ? -7.754  11.704  -16.383 1.00 1.86  1   W  1 
HETATM 2642 C C7  . LIG_W  W  23 .   ? -8.053  11.099  -15.485 1.00 1.95  1   W  1 
HETATM 2643 C C8  . LIG_W  W  23 .   ? -8.333  10.525  -14.560 1.00 1.89  1   W  1 
HETATM 2644 C C9  . LIG_W  W  23 .   ? -8.593  9.966   -13.632 1.00 2.10  1   W  1 
HETATM 2645 C C10 . LIG_W  W  23 .   ? -8.809  9.393   -12.650 1.00 2.13  1   W  1 
HETATM 2646 C C11 . LIG_W  W  23 .   ? -9.016  8.827   -11.693 1.00 2.08  1   W  1 
HETATM 2647 C C12 . LIG_W  W  23 .   ? -9.171  8.266   -10.709 1.00 2.17  1   W  1 
HETATM 2648 C C13 . LIG_W  W  23 .   ? -9.317  7.664   -9.771  1.00 1.66  1   W  1 
HETATM 2649 C C14 . LIG_W  W  23 .   ? -9.336  7.080   -8.787  1.00 1.62  1   W  1 
HETATM 2650 C C15 . LIG_W  W  23 .   ? -9.414  6.405   -7.928  1.00 1.55  1   W  1 
HETATM 2651 C C16 . LIG_W  W  23 .   ? -9.284  5.823   -6.914  1.00 1.60  1   W  1 
HETATM 2652 C C17 . LIG_W  W  23 .   ? -9.431  5.036   -6.150  1.00 1.38  1   W  1 
HETATM 2653 C C18 . LIG_W  W  23 .   ? -9.094  4.589   -4.982  1.00 1.50  1   W  1 
HETATM 2654 O O1  . LIG_W  W  23 .   ? -9.565  3.625   -4.521  1.00 2.12  1   W  1 
HETATM 2655 O O2  . LIG_W  W  23 .   ? -8.223  5.268   -4.447  1.00 2.03  1   W  1 
HETATM 2656 C C19 . LIG_W  W  23 .   ? -7.843  4.936   -3.241  1.00 1.42  1   W  1 
HETATM 2657 C C20 . LIG_W  W  23 .   ? -6.488  5.367   -2.925  1.00 1.50  1   W  1 
HETATM 2658 C C21 . LIG_W  W  23 .   ? -6.336  5.416   -1.464  1.00 1.58  1   W  1 
HETATM 2659 O O3  . LIG_W  W  23 .   ? -6.486  4.206   -0.950  1.00 1.62  1   W  1 
HETATM 2660 P P1  . LIG_W  W  23 .   ? -6.454  3.996   0.550   1.00 1.55  1   W  1 
HETATM 2661 O O4  . LIG_W  W  23 .   ? -7.139  2.766   0.814   1.00 1.44  1   W  1 
HETATM 2662 O O5  . LIG_W  W  23 .   ? -6.812  5.137   1.285   1.00 1.41  1   W  1 
HETATM 2663 O O6  . LIG_W  W  23 .   ? -4.969  3.787   0.760   1.00 1.56  1   W  1 
HETATM 2664 C C22 . LIG_W  W  23 .   ? -4.423  2.682   0.835   1.00 1.82  1   W  1 
HETATM 2665 C C23 . LIG_W  W  23 .   ? -3.090  2.796   1.011   1.00 1.66  1   W  1 
HETATM 2666 N N1  . LIG_W  W  23 .   ? -2.373  1.660   1.002   1.00 2.96  1   W  1 
HETATM 2667 C C24 . LIG_W  W  23 .   ? -1.034  2.034   1.102   1.00 1.93  1   W  1 
HETATM 2668 C C25 . LIG_W  W  23 .   ? -2.719  0.911   2.127   1.00 2.03  1   W  1 
HETATM 2669 C C26 . LIG_W  W  23 .   ? -2.627  0.942   -0.172  1.00 2.24  1   W  1 
HETATM 2670 O O7  . LIG_W  W  23 .   ? -6.272  6.645   -3.398  1.00 1.66  1   W  1 
HETATM 2671 C C27 . LIG_W  W  23 .   ? -5.687  6.704   -4.499  1.00 1.66  1   W  1 
HETATM 2672 O O8  . LIG_W  W  23 .   ? -5.202  5.731   -4.992  1.00 1.76  1   W  1 
HETATM 2673 C C28 . LIG_W  W  23 .   ? -5.684  7.867   -5.086  1.00 1.53  1   W  1 
HETATM 2674 C C29 . LIG_W  W  23 .   ? -5.641  8.221   -6.170  1.00 1.66  1   W  1 
HETATM 2675 C C30 . LIG_W  W  23 .   ? -5.633  8.931   -7.044  1.00 1.74  1   W  1 
HETATM 2676 C C31 . LIG_W  W  23 .   ? -5.597  9.512   -7.995  1.00 1.69  1   W  1 
HETATM 2677 C C32 . LIG_W  W  23 .   ? -5.532  10.194  -8.886  1.00 1.88  1   W  1 
HETATM 2678 C C33 . LIG_W  W  23 .   ? -5.455  10.857  -9.798  1.00 1.75  1   W  1 
HETATM 2679 C C34 . LIG_W  W  23 .   ? -5.351  11.549  -10.698 1.00 1.72  1   W  1 
HETATM 2680 C C35 . LIG_W  W  23 .   ? -5.224  12.238  -11.596 1.00 1.72  1   W  1 
HETATM 2681 C C36 . LIG_W  W  23 .   ? -5.094  12.923  -12.506 1.00 1.78  1   W  1 
HETATM 2682 C C37 . LIG_W  W  23 .   ? -4.963  13.590  -13.434 1.00 1.78  1   W  1 
HETATM 2683 C C38 . LIG_W  W  23 .   ? -4.831  14.246  -14.363 1.00 1.56  1   W  1 
HETATM 2684 C C39 . LIG_W  W  23 .   ? -4.711  14.892  -15.303 1.00 1.68  1   W  1 
HETATM 2685 C C40 . LIG_W  W  23 .   ? -4.617  15.486  -16.255 1.00 1.82  1   W  1 
HETATM 2686 C C41 . LIG_W  W  23 .   ? -4.549  16.049  -17.225 1.00 1.53  1   W  1 
HETATM 2687 C C42 . LIG_W  W  23 .   ? -4.480  16.574  -18.143 1.00 1.53  1   W  1 
HETATM 2688 C C43 . LIG_W  W  23 .   ? -4.376  17.163  -19.037 1.00 1.36  1   W  1 
HETATM 2689 C C44 . LIG_W  W  23 .   ? -4.193  17.847  -19.940 1.00 1.43  1   W  1 
HETATM 2690 C C1  . LIG_X  X  24 .   ? -1.208  28.089  -16.357 1.00 2.03  1   X  1 
HETATM 2691 C C2  . LIG_X  X  24 .   ? -1.476  28.795  -15.899 1.00 2.08  1   X  1 
HETATM 2692 C C3  . LIG_X  X  24 .   ? -1.945  28.855  -14.939 1.00 1.89  1   X  1 
HETATM 2693 C C4  . LIG_X  X  24 .   ? -2.394  28.615  -14.012 1.00 2.10  1   X  1 
HETATM 2694 C C5  . LIG_X  X  24 .   ? -2.835  28.280  -13.063 1.00 1.99  1   X  1 
HETATM 2695 C C6  . LIG_X  X  24 .   ? -3.254  27.828  -12.160 1.00 1.69  1   X  1 
HETATM 2696 C C7  . LIG_X  X  24 .   ? -3.672  27.337  -11.289 1.00 1.70  1   X  1 
HETATM 2697 C C8  . LIG_X  X  24 .   ? -4.111  26.830  -10.425 1.00 1.64  1   X  1 
HETATM 2698 C C9  . LIG_X  X  24 .   ? -4.565  26.354  -9.571  1.00 1.77  1   X  1 
HETATM 2699 C C10 . LIG_X  X  24 .   ? -5.049  25.851  -8.671  1.00 1.85  1   X  1 
HETATM 2700 C C11 . LIG_X  X  24 .   ? -5.524  25.394  -7.788  1.00 1.77  1   X  1 
HETATM 2701 C C12 . LIG_X  X  24 .   ? -6.011  24.913  -6.874  1.00 1.92  1   X  1 
HETATM 2702 C C13 . LIG_X  X  24 .   ? -6.485  24.501  -5.958  1.00 1.51  1   X  1 
HETATM 2703 C C14 . LIG_X  X  24 .   ? -6.936  24.058  -5.002  1.00 1.49  1   X  1 
HETATM 2704 C C15 . LIG_X  X  24 .   ? -7.367  23.734  -4.058  1.00 1.46  1   X  1 
HETATM 2705 C C16 . LIG_X  X  24 .   ? -7.771  23.311  -3.044  1.00 1.42  1   X  1 
HETATM 2706 C C17 . LIG_X  X  24 .   ? -8.202  23.138  -2.103  1.00 1.29  1   X  1 
HETATM 2707 C C18 . LIG_X  X  24 .   ? -8.538  22.590  -0.988  1.00 1.33  1   X  1 
HETATM 2708 O O1  . LIG_X  X  24 .   ? -8.915  23.217  -0.083  1.00 1.89  1   X  1 
HETATM 2709 O O2  . LIG_X  X  24 .   ? -8.412  21.395  -0.989  1.00 1.75  1   X  1 
HETATM 2710 C C19 . LIG_X  X  24 .   ? -8.580  20.735  0.125   1.00 1.27  1   X  1 
HETATM 2711 C C20 . LIG_X  X  24 .   ? -8.576  19.315  -0.137  1.00 1.25  1   X  1 
HETATM 2712 C C21 . LIG_X  X  24 .   ? -8.247  18.554  1.075   1.00 1.26  1   X  1 
HETATM 2713 O O3  . LIG_X  X  24 .   ? -9.345  18.055  1.616   1.00 1.31  1   X  1 
HETATM 2714 P P1  . LIG_X  X  24 .   ? -9.290  17.213  2.878   1.00 1.23  1   X  1 
HETATM 2715 O O4  . LIG_X  X  24 .   ? -10.545 16.559  2.995   1.00 1.20  1   X  1 
HETATM 2716 O O5  . LIG_X  X  24 .   ? -8.119  16.445  2.926   1.00 1.21  1   X  1 
HETATM 2717 O O6  . LIG_X  X  24 .   ? -9.164  18.306  3.922   1.00 1.25  1   X  1 
HETATM 2718 C C22 . LIG_X  X  24 .   ? -10.129 18.931  4.444   1.00 1.32  1   X  1 
HETATM 2719 C C23 . LIG_X  X  24 .   ? -9.893  20.285  4.514   1.00 1.28  1   X  1 
HETATM 2720 N N1  . LIG_X  X  24 .   ? -10.746 21.042  5.246   1.00 2.03  1   X  1 
HETATM 2721 C C24 . LIG_X  X  24 .   ? -10.644 20.659  6.601   1.00 1.29  1   X  1 
HETATM 2722 C C25 . LIG_X  X  24 .   ? -10.365 22.358  5.079   1.00 1.35  1   X  1 
HETATM 2723 C C26 . LIG_X  X  24 .   ? -12.061 20.850  4.789   1.00 1.36  1   X  1 
HETATM 2724 O O7  . LIG_X  X  24 .   ? -7.582  19.050  -1.042  1.00 1.48  1   X  1 
HETATM 2725 C C27 . LIG_X  X  24 .   ? -7.971  18.610  -2.147  1.00 1.47  1   X  1 
HETATM 2726 O O8  . LIG_X  X  24 .   ? -9.026  18.107  -2.273  1.00 1.59  1   X  1 
HETATM 2727 C C28 . LIG_X  X  24 .   ? -7.126  18.802  -3.122  1.00 1.42  1   X  1 
HETATM 2728 C C29 . LIG_X  X  24 .   ? -6.901  19.311  -4.064  1.00 1.63  1   X  1 
HETATM 2729 C C30 . LIG_X  X  24 .   ? -6.400  19.723  -4.995  1.00 1.62  1   X  1 
HETATM 2730 C C31 . LIG_X  X  24 .   ? -5.998  20.193  -5.911  1.00 1.57  1   X  1 
HETATM 2731 C C32 . LIG_X  X  24 .   ? -5.519  20.638  -6.820  1.00 1.75  1   X  1 
HETATM 2732 C C33 . LIG_X  X  24 .   ? -5.061  21.127  -7.712  1.00 1.59  1   X  1 
HETATM 2733 C C34 . LIG_X  X  24 .   ? -4.556  21.625  -8.612  1.00 1.60  1   X  1 
HETATM 2734 C C35 . LIG_X  X  24 .   ? -4.060  22.134  -9.505  1.00 1.60  1   X  1 
HETATM 2735 C C36 . LIG_X  X  24 .   ? -3.553  22.654  -10.399 1.00 1.66  1   X  1 
HETATM 2736 C C37 . LIG_X  X  24 .   ? -3.063  23.204  -11.294 1.00 1.64  1   X  1 
HETATM 2737 C C38 . LIG_X  X  24 .   ? -2.601  23.778  -12.200 1.00 1.50  1   X  1 
HETATM 2738 C C39 . LIG_X  X  24 .   ? -2.166  24.371  -13.120 1.00 1.63  1   X  1 
HETATM 2739 C C40 . LIG_X  X  24 .   ? -1.777  24.957  -14.044 1.00 1.76  1   X  1 
HETATM 2740 C C41 . LIG_X  X  24 .   ? -1.438  25.538  -14.974 1.00 1.50  1   X  1 
HETATM 2741 C C42 . LIG_X  X  24 .   ? -1.138  26.084  -15.878 1.00 1.55  1   X  1 
HETATM 2742 C C43 . LIG_X  X  24 .   ? -0.851  26.582  -16.803 1.00 1.36  1   X  1 
HETATM 2743 C C44 . LIG_X  X  24 .   ? -0.506  27.013  -17.885 1.00 1.40  1   X  1 
HETATM 2744 C C1  . LIG_Y  Y  25 .   ? -0.120  0.553   -31.874 1.00 2.34  1   Y  1 
HETATM 2745 C C2  . LIG_Y  Y  25 .   ? 0.251   -0.388  -31.949 1.00 2.44  1   Y  1 
HETATM 2746 C C3  . LIG_Y  Y  25 .   ? 0.590   -1.318  -31.396 1.00 2.31  1   Y  1 
HETATM 2747 C C4  . LIG_Y  Y  25 .   ? 0.889   -2.057  -30.639 1.00 2.68  1   Y  1 
HETATM 2748 C C5  . LIG_Y  Y  25 .   ? 1.171   -2.761  -29.813 1.00 2.42  1   Y  1 
HETATM 2749 C C6  . LIG_Y  Y  25 .   ? 1.416   -3.415  -28.926 1.00 2.11  1   Y  1 
HETATM 2750 C C7  . LIG_Y  Y  25 .   ? 1.627   -4.047  -28.033 1.00 2.15  1   Y  1 
HETATM 2751 C C8  . LIG_Y  Y  25 .   ? 1.797   -4.683  -27.125 1.00 2.04  1   Y  1 
HETATM 2752 C C9  . LIG_Y  Y  25 .   ? 1.918   -5.332  -26.237 1.00 2.25  1   Y  1 
HETATM 2753 C C10 . LIG_Y  Y  25 .   ? 2.016   -6.001  -25.287 1.00 2.22  1   Y  1 
HETATM 2754 C C11 . LIG_Y  Y  25 .   ? 2.093   -6.650  -24.373 1.00 2.23  1   Y  1 
HETATM 2755 C C12 . LIG_Y  Y  25 .   ? 2.148   -7.291  -23.411 1.00 2.45  1   Y  1 
HETATM 2756 C C13 . LIG_Y  Y  25 .   ? 2.164   -7.941  -22.497 1.00 1.86  1   Y  1 
HETATM 2757 C C14 . LIG_Y  Y  25 .   ? 2.149   -8.550  -21.520 1.00 1.85  1   Y  1 
HETATM 2758 C C15 . LIG_Y  Y  25 .   ? 2.106   -9.211  -20.635 1.00 1.83  1   Y  1 
HETATM 2759 C C16 . LIG_Y  Y  25 .   ? 2.057   -9.743  -19.593 1.00 1.85  1   Y  1 
HETATM 2760 C C17 . LIG_Y  Y  25 .   ? 1.988   -10.461 -18.777 1.00 1.58  1   Y  1 
HETATM 2761 C C18 . LIG_Y  Y  25 .   ? 1.884   -10.797 -17.545 1.00 1.72  1   Y  1 
HETATM 2762 O O1  . LIG_Y  Y  25 .   ? 1.652   -11.890 -17.228 1.00 2.91  1   Y  1 
HETATM 2763 O O2  . LIG_Y  Y  25 .   ? 2.043   -9.869  -16.753 1.00 2.69  1   Y  1 
HETATM 2764 C C19 . LIG_Y  Y  25 .   ? 1.787   -10.092 -15.478 1.00 1.87  1   Y  1 
HETATM 2765 C C20 . LIG_Y  Y  25 .   ? 1.728   -8.853  -14.737 1.00 1.91  1   Y  1 
HETATM 2766 C C21 . LIG_Y  Y  25 .   ? 1.025   -9.057  -13.455 1.00 1.90  1   Y  1 
HETATM 2767 O O3  . LIG_Y  Y  25 .   ? 1.748   -9.870  -12.701 1.00 1.89  1   Y  1 
HETATM 2768 P P1  . LIG_Y  Y  25 .   ? 1.273   -10.384 -11.363 1.00 1.71  1   Y  1 
HETATM 2769 O O4  . LIG_Y  Y  25 .   ? 2.391   -10.290 -10.448 1.00 1.62  1   Y  1 
HETATM 2770 O O5  . LIG_Y  Y  25 .   ? 0.024   -9.891  -11.024 1.00 1.61  1   Y  1 
HETATM 2771 O O6  . LIG_Y  Y  25 .   ? 1.173   -11.879 -11.759 1.00 1.69  1   Y  1 
HETATM 2772 C C22 . LIG_Y  Y  25 .   ? 0.237   -12.589 -11.555 1.00 2.43  1   Y  1 
HETATM 2773 C C23 . LIG_Y  Y  25 .   ? 0.491   -13.528 -10.581 1.00 2.11  1   Y  1 
HETATM 2774 N N1  . LIG_Y  Y  25 .   ? -0.550  -14.240 -10.098 1.00 3.34  1   Y  1 
HETATM 2775 C C24 . LIG_Y  Y  25 .   ? -1.203  -13.463 -9.124  1.00 2.76  1   Y  1 
HETATM 2776 C C25 . LIG_Y  Y  25 .   ? -0.078  -15.409 -9.508  1.00 2.58  1   Y  1 
HETATM 2777 C C26 . LIG_Y  Y  25 .   ? -1.471  -14.543 -11.117 1.00 2.68  1   Y  1 
HETATM 2778 O O7  . LIG_Y  Y  25 .   ? 1.029   -7.938  -15.472 1.00 1.90  1   Y  1 
HETATM 2779 C C27 . LIG_Y  Y  25 .   ? 1.642   -6.872  -15.740 1.00 1.90  1   Y  1 
HETATM 2780 O O8  . LIG_Y  Y  25 .   ? 2.439   -6.403  -15.003 1.00 1.94  1   Y  1 
HETATM 2781 C C28 . LIG_Y  Y  25 .   ? 1.317   -6.361  -16.869 1.00 1.79  1   Y  1 
HETATM 2782 C C29 . LIG_Y  Y  25 .   ? 1.497   -5.665  -17.691 1.00 1.96  1   Y  1 
HETATM 2783 C C30 . LIG_Y  Y  25 .   ? 1.422   -5.089  -18.686 1.00 1.95  1   Y  1 
HETATM 2784 C C31 . LIG_Y  Y  25 .   ? 1.378   -4.465  -19.618 1.00 1.79  1   Y  1 
HETATM 2785 C C32 . LIG_Y  Y  25 .   ? 1.278   -3.838  -20.559 1.00 2.01  1   Y  1 
HETATM 2786 C C33 . LIG_Y  Y  25 .   ? 1.168   -3.196  -21.493 1.00 1.87  1   Y  1 
HETATM 2787 C C34 . LIG_Y  Y  25 .   ? 1.025   -2.563  -22.447 1.00 1.78  1   Y  1 
HETATM 2788 C C35 . LIG_Y  Y  25 .   ? 0.846   -1.938  -23.398 1.00 1.77  1   Y  1 
HETATM 2789 C C36 . LIG_Y  Y  25 .   ? 0.621   -1.327  -24.344 1.00 1.82  1   Y  1 
HETATM 2790 C C37 . LIG_Y  Y  25 .   ? 0.376   -0.715  -25.295 1.00 1.87  1   Y  1 
HETATM 2791 C C38 . LIG_Y  Y  25 .   ? 0.118   -0.119  -26.252 1.00 1.70  1   Y  1 
HETATM 2792 C C39 . LIG_Y  Y  25 .   ? -0.131  0.471   -27.237 1.00 1.86  1   Y  1 
HETATM 2793 C C40 . LIG_Y  Y  25 .   ? -0.358  1.023   -28.218 1.00 1.93  1   Y  1 
HETATM 2794 C C41 . LIG_Y  Y  25 .   ? -0.579  1.561   -29.210 1.00 1.74  1   Y  1 
HETATM 2795 C C42 . LIG_Y  Y  25 .   ? -0.798  2.076   -30.136 1.00 1.66  1   Y  1 
HETATM 2796 C C43 . LIG_Y  Y  25 .   ? -1.055  2.692   -31.018 1.00 1.43  1   Y  1 
HETATM 2797 C C44 . LIG_Y  Y  25 .   ? -1.336  3.418   -31.888 1.00 1.50  1   Y  1 
HETATM 2798 C C1  . LIG_Z  Z  26 .   ? -6.671  12.232  -23.239 1.00 2.14  1   Z  1 
HETATM 2799 C C2  . LIG_Z  Z  26 .   ? -7.636  12.135  -23.244 1.00 2.18  1   Z  1 
HETATM 2800 C C3  . LIG_Z  Z  26 .   ? -8.400  11.661  -22.588 1.00 1.99  1   Z  1 
HETATM 2801 C C4  . LIG_Z  Z  26 .   ? -8.859  11.185  -21.733 1.00 2.38  1   Z  1 
HETATM 2802 C C5  . LIG_Z  Z  26 .   ? -9.329  10.710  -20.855 1.00 2.04  1   Z  1 
HETATM 2803 C C6  . LIG_Z  Z  26 .   ? -9.727  10.253  -19.922 1.00 1.76  1   Z  1 
HETATM 2804 C C7  . LIG_Z  Z  26 .   ? -10.123 9.834   -18.984 1.00 1.77  1   Z  1 
HETATM 2805 C C8  . LIG_Z  Z  26 .   ? -10.515 9.446   -18.020 1.00 1.70  1   Z  1 
HETATM 2806 C C9  . LIG_Z  Z  26 .   ? -10.950 9.109   -17.072 1.00 1.89  1   Z  1 
HETATM 2807 C C10 . LIG_Z  Z  26 .   ? -11.400 8.740   -16.076 1.00 1.86  1   Z  1 
HETATM 2808 C C11 . LIG_Z  Z  26 .   ? -11.869 8.381   -15.126 1.00 1.86  1   Z  1 
HETATM 2809 C C12 . LIG_Z  Z  26 .   ? -12.308 7.984   -14.141 1.00 1.98  1   Z  1 
HETATM 2810 C C13 . LIG_Z  Z  26 .   ? -12.775 7.619   -13.183 1.00 1.55  1   Z  1 
HETATM 2811 C C14 . LIG_Z  Z  26 .   ? -13.147 7.171   -12.184 1.00 1.55  1   Z  1 
HETATM 2812 C C15 . LIG_Z  Z  26 .   ? -13.619 6.827   -11.244 1.00 1.48  1   Z  1 
HETATM 2813 C C16 . LIG_Z  Z  26 .   ? -13.860 6.284   -10.217 1.00 1.48  1   Z  1 
HETATM 2814 C C17 . LIG_Z  Z  26 .   ? -14.341 6.013   -9.265  1.00 1.32  1   Z  1 
HETATM 2815 C C18 . LIG_Z  Z  26 .   ? -14.271 5.274   -8.193  1.00 1.39  1   Z  1 
HETATM 2816 O O1  . LIG_Z  Z  26 .   ? -14.856 5.550   -7.218  1.00 1.89  1   Z  1 
HETATM 2817 O O2  . LIG_Z  Z  26 .   ? -13.526 4.321   -8.299  1.00 1.86  1   Z  1 
HETATM 2818 C C19 . LIG_Z  Z  26 .   ? -13.296 3.578   -7.241  1.00 1.34  1   Z  1 
HETATM 2819 C C20 . LIG_Z  Z  26 .   ? -12.513 2.397   -7.570  1.00 1.46  1   Z  1 
HETATM 2820 C C21 . LIG_Z  Z  26 .   ? -11.978 1.789   -6.350  1.00 1.58  1   Z  1 
HETATM 2821 O O3  . LIG_Z  Z  26 .   ? -12.892 1.117   -5.688  1.00 1.54  1   Z  1 
HETATM 2822 P P1  . LIG_Z  Z  26 .   ? -12.472 0.206   -4.546  1.00 1.56  1   Z  1 
HETATM 2823 O O4  . LIG_Z  Z  26 .   ? -13.614 0.010   -3.734  1.00 1.45  1   Z  1 
HETATM 2824 O O5  . LIG_Z  Z  26 .   ? -11.270 0.607   -3.952  1.00 1.38  1   Z  1 
HETATM 2825 O O6  . LIG_Z  Z  26 .   ? -12.164 -1.026  -5.381  1.00 1.58  1   Z  1 
HETATM 2826 C C22 . LIG_Z  Z  26 .   ? -12.625 -2.146  -5.248  1.00 1.90  1   Z  1 
HETATM 2827 C C23 . LIG_Z  Z  26 .   ? -12.004 -3.044  -6.062  1.00 1.80  1   Z  1 
HETATM 2828 N N1  . LIG_Z  Z  26 .   ? -12.543 -4.272  -6.223  1.00 2.95  1   Z  1 
HETATM 2829 C C24 . LIG_Z  Z  26 .   ? -11.557 -5.097  -6.761  1.00 2.26  1   Z  1 
HETATM 2830 C C25 . LIG_Z  Z  26 .   ? -12.969 -4.790  -4.990  1.00 2.36  1   Z  1 
HETATM 2831 C C26 . LIG_Z  Z  26 .   ? -13.618 -4.182  -7.108  1.00 2.11  1   Z  1 
HETATM 2832 O O7  . LIG_Z  Z  26 .   ? -11.395 2.757   -8.289  1.00 1.65  1   Z  1 
HETATM 2833 C C27 . LIG_Z  Z  26 .   ? -11.315 2.283   -9.442  1.00 1.56  1   Z  1 
HETATM 2834 O O8  . LIG_Z  Z  26 .   ? -12.107 1.508   -9.855  1.00 1.62  1   Z  1 
HETATM 2835 C C28 . LIG_Z  Z  26 .   ? -10.331 2.758   -10.137 1.00 1.50  1   Z  1 
HETATM 2836 C C29 . LIG_Z  Z  26 .   ? -10.080 3.096   -11.167 1.00 1.65  1   Z  1 
HETATM 2837 C C30 . LIG_Z  Z  26 .   ? -9.576  3.613   -12.035 1.00 1.68  1   Z  1 
HETATM 2838 C C31 . LIG_Z  Z  26 .   ? -9.209  4.145   -12.935 1.00 1.63  1   Z  1 
HETATM 2839 C C32 . LIG_Z  Z  26 .   ? -8.773  4.733   -13.783 1.00 1.89  1   Z  1 
HETATM 2840 C C33 . LIG_Z  Z  26 .   ? -8.356  5.343   -14.631 1.00 1.75  1   Z  1 
HETATM 2841 C C34 . LIG_Z  Z  26 .   ? -7.913  5.969   -15.466 1.00 1.73  1   Z  1 
HETATM 2842 C C35 . LIG_Z  Z  26 .   ? -7.473  6.619   -16.291 1.00 1.68  1   Z  1 
HETATM 2843 C C36 . LIG_Z  Z  26 .   ? -7.021  7.289   -17.093 1.00 1.77  1   Z  1 
HETATM 2844 C C37 . LIG_Z  Z  26 .   ? -6.580  7.983   -17.906 1.00 1.76  1   Z  1 
HETATM 2845 C C38 . LIG_Z  Z  26 .   ? -6.178  8.683   -18.724 1.00 1.59  1   Z  1 
HETATM 2846 C C39 . LIG_Z  Z  26 .   ? -5.810  9.384   -19.575 1.00 1.78  1   Z  1 
HETATM 2847 C C40 . LIG_Z  Z  26 .   ? -5.502  10.074  -20.427 1.00 1.85  1   Z  1 
HETATM 2848 C C41 . LIG_Z  Z  26 .   ? -5.259  10.776  -21.298 1.00 1.55  1   Z  1 
HETATM 2849 C C42 . LIG_Z  Z  26 .   ? -5.046  11.428  -22.132 1.00 1.52  1   Z  1 
HETATM 2850 C C43 . LIG_Z  Z  26 .   ? -4.788  12.084  -22.967 1.00 1.35  1   Z  1 
HETATM 2851 C C44 . LIG_Z  Z  26 .   ? -4.465  12.795  -23.865 1.00 1.41  1   Z  1 
HETATM 2852 C C1  . LIG_AA AA 27 .   ? 14.195  12.893  -23.546 1.00 2.07  1   AA 1 
HETATM 2853 C C2  . LIG_AA AA 27 .   ? 13.351  12.986  -23.911 1.00 2.15  1   AA 1 
HETATM 2854 C C3  . LIG_AA AA 27 .   ? 12.683  12.657  -23.250 1.00 2.08  1   AA 1 
HETATM 2855 C C4  . LIG_AA AA 27 .   ? 12.573  12.381  -22.247 1.00 2.33  1   AA 1 
HETATM 2856 C C5  . LIG_AA AA 27 .   ? 12.591  12.123  -21.214 1.00 2.22  1   AA 1 
HETATM 2857 C C6  . LIG_AA AA 27 .   ? 12.729  11.865  -20.183 1.00 1.98  1   AA 1 
HETATM 2858 C C7  . LIG_AA AA 27 .   ? 12.891  11.605  -19.170 1.00 1.95  1   AA 1 
HETATM 2859 C C8  . LIG_AA AA 27 .   ? 13.060  11.336  -18.146 1.00 1.85  1   AA 1 
HETATM 2860 C C9  . LIG_AA AA 27 .   ? 13.186  11.008  -17.149 1.00 1.96  1   AA 1 
HETATM 2861 C C10 . LIG_AA AA 27 .   ? 13.265  10.584  -16.138 1.00 2.03  1   AA 1 
HETATM 2862 C C11 . LIG_AA AA 27 .   ? 13.319  10.084  -15.184 1.00 1.99  1   AA 1 
HETATM 2863 C C12 . LIG_AA AA 27 .   ? 13.391  9.508   -14.252 1.00 2.12  1   AA 1 
HETATM 2864 C C13 . LIG_AA AA 27 .   ? 13.544  8.853   -13.380 1.00 1.65  1   AA 1 
HETATM 2865 C C14 . LIG_AA AA 27 .   ? 13.698  8.184   -12.482 1.00 1.65  1   AA 1 
HETATM 2866 C C15 . LIG_AA AA 27 .   ? 13.938  7.475   -11.679 1.00 1.58  1   AA 1 
HETATM 2867 C C16 . LIG_AA AA 27 .   ? 14.088  6.808   -10.754 1.00 1.61  1   AA 1 
HETATM 2868 C C17 . LIG_AA AA 27 .   ? 14.454  6.020   -10.078 1.00 1.39  1   AA 1 
HETATM 2869 C C18 . LIG_AA AA 27 .   ? 14.393  5.553   -8.897  1.00 1.49  1   AA 1 
HETATM 2870 O O1  . LIG_AA AA 27 .   ? 13.694  6.104   -8.147  1.00 2.45  1   AA 1 
HETATM 2871 O O2  . LIG_AA AA 27 .   ? 15.047  4.577   -8.616  1.00 2.11  1   AA 1 
HETATM 2872 C C19 . LIG_AA AA 27 .   ? 14.979  4.193   -7.386  1.00 1.48  1   AA 1 
HETATM 2873 C C20 . LIG_AA AA 27 .   ? 15.563  2.901   -7.152  1.00 1.48  1   AA 1 
HETATM 2874 C C21 . LIG_AA AA 27 .   ? 15.826  2.767   -5.704  1.00 1.51  1   AA 1 
HETATM 2875 O O3  . LIG_AA AA 27 .   ? 15.280  1.663   -5.238  1.00 1.46  1   AA 1 
HETATM 2876 P P1  . LIG_AA AA 27 .   ? 15.473  1.220   -3.807  1.00 1.43  1   AA 1 
HETATM 2877 O O4  . LIG_AA AA 27 .   ? 16.825  1.321   -3.422  1.00 1.25  1   AA 1 
HETATM 2878 O O5  . LIG_AA AA 27 .   ? 14.799  -0.003  -3.656  1.00 1.36  1   AA 1 
HETATM 2879 O O6  . LIG_AA AA 27 .   ? 14.681  2.331   -3.112  1.00 1.44  1   AA 1 
HETATM 2880 C C22 . LIG_AA AA 27 .   ? 14.699  2.573   -1.892  1.00 1.49  1   AA 1 
HETATM 2881 C C23 . LIG_AA AA 27 .   ? 14.163  3.804   -1.630  1.00 1.40  1   AA 1 
HETATM 2882 N N1  . LIG_AA AA 27 .   ? 13.813  4.077   -0.355  1.00 2.20  1   AA 1 
HETATM 2883 C C24 . LIG_AA AA 27 .   ? 13.300  5.367   -0.351  1.00 1.44  1   AA 1 
HETATM 2884 C C25 . LIG_AA AA 27 .   ? 12.837  3.167   0.063   1.00 1.55  1   AA 1 
HETATM 2885 C C26 . LIG_AA AA 27 .   ? 14.913  4.006   0.500   1.00 1.42  1   AA 1 
HETATM 2886 O O7  . LIG_AA AA 27 .   ? 16.777  2.792   -7.819  1.00 1.68  1   AA 1 
HETATM 2887 C C27 . LIG_AA AA 27 .   ? 16.896  1.831   -8.660  1.00 1.66  1   AA 1 
HETATM 2888 O O8  . LIG_AA AA 27 .   ? 16.208  0.874   -8.605  1.00 1.81  1   AA 1 
HETATM 2889 C C28 . LIG_AA AA 27 .   ? 17.759  2.043   -9.628  1.00 1.54  1   AA 1 
HETATM 2890 C C29 . LIG_AA AA 27 .   ? 17.654  2.731   -10.581 1.00 1.71  1   AA 1 
HETATM 2891 C C30 . LIG_AA AA 27 .   ? 17.571  3.414   -11.458 1.00 1.79  1   AA 1 
HETATM 2892 C C31 . LIG_AA AA 27 .   ? 17.410  4.164   -12.312 1.00 1.66  1   AA 1 
HETATM 2893 C C32 . LIG_AA AA 27 .   ? 17.281  4.931   -13.109 1.00 1.92  1   AA 1 
HETATM 2894 C C33 . LIG_AA AA 27 .   ? 17.132  5.728   -13.899 1.00 1.75  1   AA 1 
HETATM 2895 C C34 . LIG_AA AA 27 .   ? 17.012  6.528   -14.695 1.00 1.77  1   AA 1 
HETATM 2896 C C35 . LIG_AA AA 27 .   ? 16.925  7.323   -15.505 1.00 1.72  1   AA 1 
HETATM 2897 C C36 . LIG_AA AA 27 .   ? 16.838  8.087   -16.354 1.00 1.84  1   AA 1 
HETATM 2898 C C37 . LIG_AA AA 27 .   ? 16.743  8.813   -17.244 1.00 1.82  1   AA 1 
HETATM 2899 C C38 . LIG_AA AA 27 .   ? 16.625  9.497   -18.171 1.00 1.63  1   AA 1 
HETATM 2900 C C39 . LIG_AA AA 27 .   ? 16.465  10.156  -19.131 1.00 1.74  1   AA 1 
HETATM 2901 C C40 . LIG_AA AA 27 .   ? 16.263  10.790  -20.085 1.00 1.92  1   AA 1 
HETATM 2902 C C41 . LIG_AA AA 27 .   ? 16.030  11.391  -21.038 1.00 1.66  1   AA 1 
HETATM 2903 C C42 . LIG_AA AA 27 .   ? 15.814  11.962  -21.943 1.00 1.67  1   AA 1 
HETATM 2904 C C43 . LIG_AA AA 27 .   ? 15.613  12.524  -22.837 1.00 1.43  1   AA 1 
HETATM 2905 C C44 . LIG_AA AA 27 .   ? 15.504  13.179  -23.860 1.00 1.47  1   AA 1 
HETATM 2906 C C1  . LIG_BA BA 28 .   ? 9.270   4.606   -30.661 1.00 2.04  1   BA 1 
HETATM 2907 C C2  . LIG_BA BA 28 .   ? 8.529   4.065   -30.933 1.00 2.13  1   BA 1 
HETATM 2908 C C3  . LIG_BA BA 28 .   ? 8.129   3.128   -30.520 1.00 2.15  1   BA 1 
HETATM 2909 C C4  . LIG_BA BA 28 .   ? 8.117   2.352   -29.752 1.00 2.44  1   BA 1 
HETATM 2910 C C5  . LIG_BA BA 28 .   ? 8.152   1.613   -28.916 1.00 2.27  1   BA 1 
HETATM 2911 C C6  . LIG_BA BA 28 .   ? 8.319   0.963   -28.010 1.00 1.98  1   BA 1 
HETATM 2912 C C7  . LIG_BA BA 28 .   ? 8.517   0.352   -27.109 1.00 2.17  1   BA 1 
HETATM 2913 C C8  . LIG_BA BA 28 .   ? 8.738   -0.254  -26.198 1.00 1.98  1   BA 1 
HETATM 2914 C C9  . LIG_BA BA 28 .   ? 8.952   -0.863  -25.288 1.00 2.17  1   BA 1 
HETATM 2915 C C10 . LIG_BA BA 28 .   ? 9.153   -1.494  -24.338 1.00 2.19  1   BA 1 
HETATM 2916 C C11 . LIG_BA BA 28 .   ? 9.337   -2.103  -23.399 1.00 2.11  1   BA 1 
HETATM 2917 C C12 . LIG_BA BA 28 .   ? 9.475   -2.689  -22.409 1.00 2.36  1   BA 1 
HETATM 2918 C C13 . LIG_BA BA 28 .   ? 9.617   -3.266  -21.430 1.00 1.75  1   BA 1 
HETATM 2919 C C14 . LIG_BA BA 28 .   ? 9.674   -3.801  -20.401 1.00 1.74  1   BA 1 
HETATM 2920 C C15 . LIG_BA BA 28 .   ? 9.800   -4.327  -19.407 1.00 1.78  1   BA 1 
HETATM 2921 C C16 . LIG_BA BA 28 .   ? 9.746   -4.789  -18.323 1.00 1.86  1   BA 1 
HETATM 2922 C C17 . LIG_BA BA 28 .   ? 9.959   -5.263  -17.353 1.00 1.64  1   BA 1 
HETATM 2923 C C18 . LIG_BA BA 28 .   ? 9.566   -5.581  -16.152 1.00 1.76  1   BA 1 
HETATM 2924 O O1  . LIG_BA BA 28 .   ? 8.463   -5.360  -15.844 1.00 2.90  1   BA 1 
HETATM 2925 O O2  . LIG_BA BA 28 .   ? 10.395  -6.074  -15.391 1.00 2.42  1   BA 1 
HETATM 2926 C C19 . LIG_BA BA 28 .   ? 10.013  -6.365  -14.155 1.00 1.87  1   BA 1 
HETATM 2927 C C20 . LIG_BA BA 28 .   ? 11.071  -7.080  -13.436 1.00 1.84  1   BA 1 
HETATM 2928 C C21 . LIG_BA BA 28 .   ? 10.788  -7.160  -11.984 1.00 1.84  1   BA 1 
HETATM 2929 O O3  . LIG_BA BA 28 .   ? 10.134  -8.290  -11.730 1.00 1.82  1   BA 1 
HETATM 2930 P P1  . LIG_BA BA 28 .   ? 10.127  -8.966  -10.365 1.00 1.73  1   BA 1 
HETATM 2931 O O4  . LIG_BA BA 28 .   ? 9.982   -8.003  -9.325  1.00 1.55  1   BA 1 
HETATM 2932 O O5  . LIG_BA BA 28 .   ? 9.229   -10.064 -10.440 1.00 1.62  1   BA 1 
HETATM 2933 O O6  . LIG_BA BA 28 .   ? 11.563  -9.540  -10.268 1.00 1.62  1   BA 1 
HETATM 2934 C C22 . LIG_BA BA 28 .   ? 11.877  -10.406 -9.349  1.00 2.25  1   BA 1 
HETATM 2935 C C23 . LIG_BA BA 28 .   ? 13.224  -10.491 -9.193  1.00 2.22  1   BA 1 
HETATM 2936 N N1  . LIG_BA BA 28 .   ? 13.878  -9.435  -9.443  1.00 2.96  1   BA 1 
HETATM 2937 O O7  . LIG_BA BA 28 .   ? 12.267  -6.395  -13.557 1.00 1.76  1   BA 1 
HETATM 2938 C C24 . LIG_BA BA 28 .   ? 13.171  -6.988  -14.221 1.00 1.69  1   BA 1 
HETATM 2939 O O8  . LIG_BA BA 28 .   ? 13.165  -8.155  -14.378 1.00 1.91  1   BA 1 
HETATM 2940 C C25 . LIG_BA BA 28 .   ? 14.024  -6.194  -14.805 1.00 1.69  1   BA 1 
HETATM 2941 C C26 . LIG_BA BA 28 .   ? 14.157  -5.902  -15.895 1.00 2.04  1   BA 1 
HETATM 2942 C C27 . LIG_BA BA 28 .   ? 14.349  -5.210  -16.761 1.00 2.13  1   BA 1 
HETATM 2943 C C28 . LIG_BA BA 28 .   ? 14.309  -4.682  -17.745 1.00 1.84  1   BA 1 
HETATM 2944 C C29 . LIG_BA BA 28 .   ? 14.262  -3.997  -18.630 1.00 1.97  1   BA 1 
HETATM 2945 C C30 . LIG_BA BA 28 .   ? 14.132  -3.340  -19.524 1.00 1.98  1   BA 1 
HETATM 2946 C C31 . LIG_BA BA 28 .   ? 13.963  -2.632  -20.383 1.00 1.95  1   BA 1 
HETATM 2947 C C32 . LIG_BA BA 28 .   ? 13.748  -1.929  -21.217 1.00 2.15  1   BA 1 
HETATM 2948 C C33 . LIG_BA BA 28 .   ? 13.517  -1.211  -22.052 1.00 1.99  1   BA 1 
HETATM 2949 C C34 . LIG_BA BA 28 .   ? 13.275  -0.486  -22.890 1.00 1.95  1   BA 1 
HETATM 2950 C C35 . LIG_BA BA 28 .   ? 13.025  0.241   -23.741 1.00 1.96  1   BA 1 
HETATM 2951 C C36 . LIG_BA BA 28 .   ? 12.748  0.960   -24.601 1.00 2.01  1   BA 1 
HETATM 2952 C C37 . LIG_BA BA 28 .   ? 12.474  1.681   -25.481 1.00 1.99  1   BA 1 
HETATM 2953 C C38 . LIG_BA BA 28 .   ? 12.203  2.391   -26.371 1.00 1.63  1   BA 1 
HETATM 2954 C C39 . LIG_BA BA 28 .   ? 11.943  3.112   -27.252 1.00 1.77  1   BA 1 
HETATM 2955 C C40 . LIG_BA BA 28 .   ? 11.652  3.775   -28.111 1.00 1.67  1   BA 1 
HETATM 2956 C C41 . LIG_BA BA 28 .   ? 11.361  4.452   -28.957 1.00 1.50  1   BA 1 
HETATM 2957 C C1  . LIG_CA CA 29 .   ? -4.676  21.971  -20.770 1.00 1.47  1   CA 1 
HETATM 2958 C C2  . LIG_CA CA 29 .   ? -5.221  21.327  -19.903 1.00 1.41  1   CA 1 
HETATM 2959 C C3  . LIG_CA CA 29 .   ? -5.558  20.789  -19.059 1.00 1.33  1   CA 1 
HETATM 2960 C C4  . LIG_CA CA 29 .   ? -6.048  20.214  -18.216 1.00 1.28  1   CA 1 
HETATM 2961 C C5  . LIG_CA CA 29 .   ? -6.527  19.696  -17.398 1.00 1.39  1   CA 1 
HETATM 2962 C C6  . LIG_CA CA 29 .   ? -7.129  19.168  -16.639 1.00 1.28  1   CA 1 
HETATM 2963 C C7  . LIG_CA CA 29 .   ? -7.779  18.691  -15.950 1.00 1.29  1   CA 1 
HETATM 2964 C C8  . LIG_CA CA 29 .   ? -8.507  18.254  -15.262 1.00 1.35  1   CA 1 
HETATM 2965 C C9  . LIG_CA CA 29 .   ? -9.243  17.806  -14.613 1.00 1.40  1   CA 1 
HETATM 2966 C C10 . LIG_CA CA 29 .   ? -10.015 17.399  -13.917 1.00 1.45  1   CA 1 
HETATM 2967 C C11 . LIG_CA CA 29 .   ? -10.715 16.878  -13.239 1.00 1.40  1   CA 1 
HETATM 2968 C C12 . LIG_CA CA 29 .   ? -11.366 16.563  -12.372 1.00 1.54  1   CA 1 
HETATM 2969 C C13 . LIG_CA CA 29 .   ? -11.898 15.829  -11.643 1.00 1.36  1   CA 1 
HETATM 2970 C C14 . LIG_CA CA 29 .   ? -12.361 15.729  -10.553 1.00 1.36  1   CA 1 
HETATM 2971 C C15 . LIG_CA CA 29 .   ? -12.756 14.848  -9.806  1.00 1.35  1   CA 1 
HETATM 2972 C C16 . LIG_CA CA 29 .   ? -13.229 14.934  -8.643  1.00 1.37  1   CA 1 
HETATM 2973 C C17 . LIG_CA CA 29 .   ? -13.610 13.946  -7.919  1.00 1.24  1   CA 1 
HETATM 2974 C C18 . LIG_CA CA 29 .   ? -14.159 14.199  -6.715  1.00 1.25  1   CA 1 
HETATM 2975 O O1  . LIG_CA CA 29 .   ? -14.215 15.305  -6.292  1.00 1.50  1   CA 1 
HETATM 2976 O O2  . LIG_CA CA 29 .   ? -14.599 13.242  -6.103  1.00 1.45  1   CA 1 
HETATM 2977 C C19 . LIG_CA CA 29 .   ? -14.915 13.484  -4.865  1.00 1.18  1   CA 1 
HETATM 2978 C C20 . LIG_CA CA 29 .   ? -16.311 13.250  -4.539  1.00 1.16  1   CA 1 
HETATM 2979 C C21 . LIG_CA CA 29 .   ? -16.350 12.101  -3.589  1.00 1.14  1   CA 1 
HETATM 2980 O O3  . LIG_CA CA 29 .   ? -17.509 12.164  -2.894  1.00 1.24  1   CA 1 
HETATM 2981 P P1  . LIG_CA CA 29 .   ? -17.810 11.170  -1.743  1.00 1.19  1   CA 1 
HETATM 2982 O O4  . LIG_CA CA 29 .   ? -18.877 11.823  -1.008  1.00 1.16  1   CA 1 
HETATM 2983 O O5  . LIG_CA CA 29 .   ? -18.202 9.945   -2.386  1.00 1.24  1   CA 1 
HETATM 2984 O O6  . LIG_CA CA 29 .   ? -16.581 11.051  -0.977  1.00 1.25  1   CA 1 
HETATM 2985 O O7  . LIG_CA CA 29 .   ? -17.061 12.905  -5.639  1.00 1.30  1   CA 1 
HETATM 2986 C C22 . LIG_CA CA 29 .   ? -18.031 13.689  -5.909  1.00 1.24  1   CA 1 
HETATM 2987 O O8  . LIG_CA CA 29 .   ? -18.261 14.642  -5.232  1.00 1.34  1   CA 1 
HETATM 2988 C C23 . LIG_CA CA 29 .   ? -18.793 13.347  -7.014  1.00 1.21  1   CA 1 
HETATM 2989 C C24 . LIG_CA CA 29 .   ? -18.217 13.599  -8.195  1.00 1.38  1   CA 1 
HETATM 2990 C C25 . LIG_CA CA 29 .   ? -17.951 14.838  -8.604  1.00 1.50  1   CA 1 
HETATM 2991 C C26 . LIG_CA CA 29 .   ? -17.477 15.057  -9.778  1.00 1.48  1   CA 1 
HETATM 2992 C C27 . LIG_CA CA 29 .   ? -17.142 16.148  -10.299 1.00 1.39  1   CA 1 
HETATM 2993 C C28 . LIG_CA CA 29 .   ? -16.727 16.412  -11.375 1.00 1.29  1   CA 1 
HETATM 2994 C C29 . LIG_CA CA 29 .   ? -16.275 17.235  -12.039 1.00 1.31  1   CA 1 
HETATM 2995 C C30 . LIG_CA CA 29 .   ? -15.726 17.565  -12.919 1.00 1.31  1   CA 1 
HETATM 2996 C C31 . LIG_CA CA 29 .   ? -15.252 17.886  -13.797 1.00 1.36  1   CA 1 
HETATM 2997 C C32 . LIG_CA CA 29 .   ? -14.790 18.066  -14.738 1.00 1.46  1   CA 1 
HETATM 2998 C C33 . LIG_CA CA 29 .   ? -14.611 18.208  -15.780 1.00 1.35  1   CA 1 
HETATM 2999 C C34 . LIG_CA CA 29 .   ? -14.332 18.390  -16.794 1.00 1.33  1   CA 1 
HETATM 3000 C C35 . LIG_CA CA 29 .   ? -14.595 18.686  -17.835 1.00 1.37  1   CA 1 
HETATM 3001 C C36 . LIG_CA CA 29 .   ? -15.261 19.443  -18.383 1.00 1.43  1   CA 1 
HETATM 3002 C C37 . LIG_CA CA 29 .   ? -15.505 19.860  -19.473 1.00 1.36  1   CA 1 
HETATM 3003 C C38 . LIG_CA CA 29 .   ? -16.123 20.770  -19.966 1.00 1.29  1   CA 1 
HETATM 3004 C C39 . LIG_CA CA 29 .   ? -16.250 21.209  -21.134 1.00 1.30  1   CA 1 
HETATM 3005 C C1  . LIG_AB AB 30 .   ? -11.760 8.593   -25.602 1.00 2.36  1   AB 1 
HETATM 3006 C C2  . LIG_AB AB 30 .   ? -11.579 8.894   -24.813 1.00 2.28  1   AB 1 
HETATM 3007 C C3  . LIG_AB AB 30 .   ? -11.534 8.547   -23.784 1.00 2.16  1   AB 1 
HETATM 3008 C C4  . LIG_AB AB 30 .   ? -11.545 8.038   -22.851 1.00 2.44  1   AB 1 
HETATM 3009 C C5  . LIG_AB AB 30 .   ? -11.604 7.458   -21.923 1.00 2.24  1   AB 1 
HETATM 3010 C C6  . LIG_AB AB 30 .   ? -11.713 6.811   -21.040 1.00 1.74  1   AB 1 
HETATM 3011 C C7  . LIG_AB AB 30 .   ? -11.843 6.143   -20.182 1.00 1.84  1   AB 1 
HETATM 3012 C C8  . LIG_AB AB 30 .   ? -11.992 5.448   -19.345 1.00 1.78  1   AB 1 
HETATM 3013 C C9  . LIG_AB AB 30 .   ? -12.148 4.754   -18.529 1.00 1.92  1   AB 1 
HETATM 3014 C C10 . LIG_AB AB 30 .   ? -12.317 3.987   -17.697 1.00 2.00  1   AB 1 
HETATM 3015 C C11 . LIG_AB AB 30 .   ? -12.481 3.234   -16.897 1.00 1.97  1   AB 1 
HETATM 3016 C C12 . LIG_AB AB 30 .   ? -12.666 2.440   -16.096 1.00 2.09  1   AB 1 
HETATM 3017 C C13 . LIG_AB AB 30 .   ? -12.829 1.674   -15.297 1.00 1.62  1   AB 1 
HETATM 3018 C C14 . LIG_AB AB 30 .   ? -12.981 0.846   -14.515 1.00 1.59  1   AB 1 
HETATM 3019 C C15 . LIG_AB AB 30 .   ? -13.081 0.119   -13.711 1.00 1.52  1   AB 1 
HETATM 3020 C C16 . LIG_AB AB 30 .   ? -13.158 -0.762  -12.921 1.00 1.53  1   AB 1 
HETATM 3021 C C17 . LIG_AB AB 30 .   ? -13.103 -1.342  -12.026 1.00 1.35  1   AB 1 
HETATM 3022 C C18 . LIG_AB AB 30 .   ? -13.172 -2.434  -11.331 1.00 1.50  1   AB 1 
HETATM 3023 O O1  . LIG_AB AB 30 .   ? -12.550 -2.553  -10.349 1.00 2.07  1   AB 1 
HETATM 3024 O O2  . LIG_AB AB 30 .   ? -13.896 -3.278  -11.808 1.00 1.98  1   AB 1 
HETATM 3025 C C19 . LIG_AB AB 30 .   ? -13.874 -4.464  -11.275 1.00 1.40  1   AB 1 
HETATM 3026 C C20 . LIG_AB AB 30 .   ? -14.855 -5.372  -11.882 1.00 1.45  1   AB 1 
HETATM 3027 C C21 . LIG_AB AB 30 .   ? -14.568 -6.745  -11.411 1.00 1.62  1   AB 1 
HETATM 3028 O O3  . LIG_AB AB 30 .   ? -14.791 -6.749  -10.102 1.00 1.61  1   AB 1 
HETATM 3029 P P1  . LIG_AB AB 30 .   ? -14.679 -7.977  -9.201  1.00 1.78  1   AB 1 
HETATM 3030 O O4  . LIG_AB AB 30 .   ? -13.436 -8.633  -9.392  1.00 1.59  1   AB 1 
HETATM 3031 O O5  . LIG_AB AB 30 .   ? -15.035 -7.561  -7.914  1.00 1.73  1   AB 1 
HETATM 3032 O O6  . LIG_AB AB 30 .   ? -15.748 -8.858  -9.825  1.00 1.64  1   AB 1 
HETATM 3033 C C22 . LIG_AB AB 30 .   ? -16.856 -9.014  -9.391  1.00 1.88  1   AB 1 
HETATM 3034 C C23 . LIG_AB AB 30 .   ? -17.388 -10.264 -9.698  1.00 1.79  1   AB 1 
HETATM 3035 N N1  . LIG_AB AB 30 .   ? -18.400 -10.320 -10.600 1.00 3.11  1   AB 1 
HETATM 3036 C C24 . LIG_AB AB 30 .   ? -17.888 -10.075 -11.888 1.00 1.91  1   AB 1 
HETATM 3037 C C25 . LIG_AB AB 30 .   ? -18.957 -11.593 -10.544 1.00 1.96  1   AB 1 
HETATM 3038 C C26 . LIG_AB AB 30 .   ? -19.362 -9.348  -10.279 1.00 1.96  1   AB 1 
HETATM 3039 O O7  . LIG_AB AB 30 .   ? -14.729 -5.339  -13.238 1.00 1.66  1   AB 1 
HETATM 3040 C C27 . LIG_AB AB 30 .   ? -15.741 -4.918  -13.850 1.00 1.56  1   AB 1 
HETATM 3041 O O8  . LIG_AB AB 30 .   ? -16.797 -4.837  -13.324 1.00 1.63  1   AB 1 
HETATM 3042 C C28 . LIG_AB AB 30 .   ? -15.524 -4.534  -15.073 1.00 1.50  1   AB 1 
HETATM 3043 C C29 . LIG_AB AB 30 .   ? -15.592 -3.658  -15.775 1.00 1.67  1   AB 1 
HETATM 3044 C C30 . LIG_AB AB 30 .   ? -15.467 -2.939  -16.666 1.00 1.80  1   AB 1 
HETATM 3045 C C31 . LIG_AB AB 30 .   ? -15.347 -2.141  -17.458 1.00 1.75  1   AB 1 
HETATM 3046 C C32 . LIG_AB AB 30 .   ? -15.156 -1.398  -18.304 1.00 1.96  1   AB 1 
HETATM 3047 C C33 . LIG_AB AB 30 .   ? -14.947 -0.625  -19.124 1.00 1.79  1   AB 1 
HETATM 3048 C C34 . LIG_AB AB 30 .   ? -14.691 0.136   -19.958 1.00 1.74  1   AB 1 
HETATM 3049 C C35 . LIG_AB AB 30 .   ? -14.415 0.901   -20.779 1.00 1.77  1   AB 1 
HETATM 3050 C C36 . LIG_AB AB 30 .   ? -14.105 1.670   -21.601 1.00 1.82  1   AB 1 
HETATM 3051 C C37 . LIG_AB AB 30 .   ? -13.805 2.444   -22.415 1.00 1.80  1   AB 1 
HETATM 3052 C C38 . LIG_AB AB 30 .   ? -13.520 3.240   -23.226 1.00 1.60  1   AB 1 
HETATM 3053 C C39 . LIG_AB AB 30 .   ? -13.254 4.066   -24.024 1.00 1.76  1   AB 1 
HETATM 3054 C C40 . LIG_AB AB 30 .   ? -13.005 4.912   -24.782 1.00 1.95  1   AB 1 
HETATM 3055 C C41 . LIG_AB AB 30 .   ? -12.750 5.787   -25.505 1.00 1.66  1   AB 1 
HETATM 3056 C C42 . LIG_AB AB 30 .   ? -12.513 6.628   -26.206 1.00 1.65  1   AB 1 
HETATM 3057 C C43 . LIG_AB AB 30 .   ? -12.300 7.458   -26.931 1.00 1.40  1   AB 1 
HETATM 3058 C C44 . LIG_AB AB 30 .   ? -12.090 8.299   -27.793 1.00 1.47  1   AB 1 
HETATM 3059 C C1  . LIG_BB BB 31 .   ? 23.689  10.745  -25.007 1.00 1.92  1   BB 1 
HETATM 3060 C C2  . LIG_BB BB 31 .   ? 24.367  10.707  -24.256 1.00 2.11  1   BB 1 
HETATM 3061 C C3  . LIG_BB BB 31 .   ? 24.989  10.474  -23.376 1.00 2.18  1   BB 1 
HETATM 3062 C C4  . LIG_BB BB 31 .   ? 25.560  10.230  -22.475 1.00 2.26  1   BB 1 
HETATM 3063 C C5  . LIG_BB BB 31 .   ? 26.088  9.935   -21.527 1.00 1.99  1   BB 1 
HETATM 3064 C C6  . LIG_BB BB 31 .   ? 26.577  9.590   -20.589 1.00 1.74  1   BB 1 
HETATM 3065 C C7  . LIG_BB BB 31 .   ? 27.039  9.222   -19.662 1.00 1.71  1   BB 1 
HETATM 3066 C C8  . LIG_BB BB 31 .   ? 27.478  8.832   -18.733 1.00 1.61  1   BB 1 
HETATM 3067 C C9  . LIG_BB BB 31 .   ? 27.864  8.429   -17.799 1.00 1.67  1   BB 1 
HETATM 3068 C C10 . LIG_BB BB 31 .   ? 28.217  7.991   -16.806 1.00 1.74  1   BB 1 
HETATM 3069 C C11 . LIG_BB BB 31 .   ? 28.515  7.564   -15.824 1.00 1.68  1   BB 1 
HETATM 3070 C C12 . LIG_BB BB 31 .   ? 28.788  7.120   -14.817 1.00 1.93  1   BB 1 
HETATM 3071 C C13 . LIG_BB BB 31 .   ? 29.029  6.694   -13.819 1.00 1.50  1   BB 1 
HETATM 3072 C C14 . LIG_BB BB 31 .   ? 29.246  6.223   -12.818 1.00 1.45  1   BB 1 
HETATM 3073 C C15 . LIG_BB BB 31 .   ? 29.469  5.812   -11.839 1.00 1.48  1   BB 1 
HETATM 3074 C C16 . LIG_BB BB 31 .   ? 29.676  5.262   -10.845 1.00 1.44  1   BB 1 
HETATM 3075 C C17 . LIG_BB BB 31 .   ? 29.849  4.866   -9.891  1.00 1.30  1   BB 1 
HETATM 3076 C C18 . LIG_BB BB 31 .   ? 30.074  4.016   -8.955  1.00 1.27  1   BB 1 
HETATM 3077 O O1  . LIG_BB BB 31 .   ? 31.101  3.930   -8.420  1.00 1.79  1   BB 1 
HETATM 3078 O O2  . LIG_BB BB 31 .   ? 29.120  3.324   -8.700  1.00 1.55  1   BB 1 
HETATM 3079 C C19 . LIG_BB BB 31 .   ? 29.317  2.289   -7.913  1.00 1.22  1   BB 1 
HETATM 3080 C C20 . LIG_BB BB 31 .   ? 28.377  1.216   -8.240  1.00 1.25  1   BB 1 
HETATM 3081 C C21 . LIG_BB BB 31 .   ? 28.709  0.001   -7.469  1.00 1.26  1   BB 1 
HETATM 3082 O O3  . LIG_BB BB 31 .   ? 28.273  0.097   -6.243  1.00 1.29  1   BB 1 
HETATM 3083 P P1  . LIG_BB BB 31 .   ? 28.543  -1.058  -5.287  1.00 1.22  1   BB 1 
HETATM 3084 O O4  . LIG_BB BB 31 .   ? 27.912  -2.241  -5.767  1.00 1.20  1   BB 1 
HETATM 3085 O O5  . LIG_BB BB 31 .   ? 29.912  -1.087  -4.920  1.00 1.20  1   BB 1 
HETATM 3086 O O6  . LIG_BB BB 31 .   ? 27.725  -0.541  -4.073  1.00 1.24  1   BB 1 
HETATM 3087 C C22 . LIG_BB BB 31 .   ? 27.753  -1.173  -2.958  1.00 1.31  1   BB 1 
HETATM 3088 C C23 . LIG_BB BB 31 .   ? 26.698  -0.816  -2.200  1.00 1.29  1   BB 1 
HETATM 3089 N N1  . LIG_BB BB 31 .   ? 25.797  -0.176  -2.843  1.00 1.59  1   BB 1 
HETATM 3090 O O7  . LIG_BB BB 31 .   ? 28.492  0.900   -9.553  1.00 1.37  1   BB 1 
HETATM 3091 C C24 . LIG_BB BB 31 .   ? 27.500  1.130   -10.255 1.00 1.30  1   BB 1 
HETATM 3092 O O8  . LIG_BB BB 31 .   ? 26.413  1.275   -9.793  1.00 1.49  1   BB 1 
HETATM 3093 C C25 . LIG_BB BB 31 .   ? 27.710  1.265   -11.504 1.00 1.31  1   BB 1 
HETATM 3094 C C26 . LIG_BB BB 31 .   ? 27.279  1.703   -12.435 1.00 1.51  1   BB 1 
HETATM 3095 C C27 . LIG_BB BB 31 .   ? 27.246  2.064   -13.484 1.00 1.63  1   BB 1 
HETATM 3096 C C28 . LIG_BB BB 31 .   ? 27.097  2.472   -14.495 1.00 1.45  1   BB 1 
HETATM 3097 C C29 . LIG_BB BB 31 .   ? 26.974  2.862   -15.534 1.00 1.55  1   BB 1 
HETATM 3098 C C30 . LIG_BB BB 31 .   ? 26.757  3.261   -16.548 1.00 1.65  1   BB 1 
HETATM 3099 C C31 . LIG_BB BB 31 .   ? 26.487  3.673   -17.539 1.00 1.64  1   BB 1 
HETATM 3100 C C32 . LIG_BB BB 31 .   ? 26.166  4.098   -18.492 1.00 1.78  1   BB 1 
HETATM 3101 C C33 . LIG_BB BB 31 .   ? 25.772  4.540   -19.430 1.00 1.61  1   BB 1 
HETATM 3102 C C34 . LIG_BB BB 31 .   ? 25.309  5.002   -20.338 1.00 1.61  1   BB 1 
HETATM 3103 C C35 . LIG_BB BB 31 .   ? 24.810  5.475   -21.220 1.00 1.63  1   BB 1 
HETATM 3104 C C36 . LIG_BB BB 31 .   ? 24.278  5.983   -22.075 1.00 1.78  1   BB 1 
HETATM 3105 C C37 . LIG_BB BB 31 .   ? 23.753  6.535   -22.904 1.00 1.76  1   BB 1 
HETATM 3106 C C38 . LIG_BB BB 31 .   ? 23.263  7.144   -23.707 1.00 1.51  1   BB 1 
HETATM 3107 C C39 . LIG_BB BB 31 .   ? 22.800  7.821   -24.479 1.00 1.57  1   BB 1 
HETATM 3108 C C40 . LIG_BB BB 31 .   ? 22.410  8.540   -25.189 1.00 1.55  1   BB 1 
HETATM 3109 C C41 . LIG_BB BB 31 .   ? 22.065  9.318   -25.869 1.00 1.36  1   BB 1 
HETATM 3110 C C1  . LIG_CB CB 32 .   ? 11.392  26.507  -13.803 1.00 1.28  1   CB 1 
HETATM 3111 C C2  . LIG_CB CB 32 .   ? 11.222  25.831  -12.778 1.00 1.25  1   CB 1 
HETATM 3112 C C3  . LIG_CB CB 32 .   ? 11.251  25.899  -11.635 1.00 1.28  1   CB 1 
HETATM 3113 C C4  . LIG_CB CB 32 .   ? 11.202  25.339  -10.636 1.00 1.35  1   CB 1 
HETATM 3114 C C5  . LIG_CB CB 32 .   ? 11.237  25.265  -9.530  1.00 1.38  1   CB 1 
HETATM 3115 C C6  . LIG_CB CB 32 .   ? 11.233  24.881  -8.513  1.00 1.32  1   CB 1 
HETATM 3116 C C7  . LIG_CB CB 32 .   ? 11.309  24.902  -7.452  1.00 1.29  1   CB 1 
HETATM 3117 C C8  . LIG_CB CB 32 .   ? 11.353  24.750  -6.408  1.00 1.35  1   CB 1 
HETATM 3118 C C9  . LIG_CB CB 32 .   ? 11.370  24.729  -5.380  1.00 1.32  1   CB 1 
HETATM 3119 C C10 . LIG_CB CB 32 .   ? 11.344  24.668  -4.299  1.00 1.38  1   CB 1 
HETATM 3120 C C11 . LIG_CB CB 32 .   ? 11.247  24.488  -3.292  1.00 1.36  1   CB 1 
HETATM 3121 C C12 . LIG_CB CB 32 .   ? 11.307  24.437  -2.176  1.00 1.43  1   CB 1 
HETATM 3122 C C13 . LIG_CB CB 32 .   ? 11.232  23.754  -1.284  1.00 1.33  1   CB 1 
HETATM 3123 C C14 . LIG_CB CB 32 .   ? 11.481  23.663  -0.138  1.00 1.35  1   CB 1 
HETATM 3124 C C15 . LIG_CB CB 32 .   ? 11.540  22.739  0.600   1.00 1.33  1   CB 1 
HETATM 3125 C C16 . LIG_CB CB 32 .   ? 11.756  22.651  1.827   1.00 1.35  1   CB 1 
HETATM 3126 C C17 . LIG_CB CB 32 .   ? 11.873  21.486  2.403   1.00 1.23  1   CB 1 
HETATM 3127 C C18 . LIG_CB CB 32 .   ? 11.905  21.429  3.745   1.00 1.22  1   CB 1 
HETATM 3128 O O1  . LIG_CB CB 32 .   ? 10.945  21.115  4.345   1.00 1.51  1   CB 1 
HETATM 3129 O O2  . LIG_CB CB 32 .   ? 12.973  21.697  4.259   1.00 1.41  1   CB 1 
HETATM 3130 C C19 . LIG_CB CB 32 .   ? 13.022  21.601  5.579   1.00 1.18  1   CB 1 
HETATM 3131 C C20 . LIG_CB CB 32 .   ? 14.274  22.156  6.086   1.00 1.17  1   CB 1 
HETATM 3132 C C21 . LIG_CB CB 32 .   ? 14.223  22.254  7.568   1.00 1.17  1   CB 1 
HETATM 3133 O O3  . LIG_CB CB 32 .   ? 14.133  21.026  8.110   1.00 1.21  1   CB 1 
HETATM 3134 P P1  . LIG_CB CB 32 .   ? 14.213  20.813  9.647   1.00 1.17  1   CB 1 
HETATM 3135 O O4  . LIG_CB CB 32 .   ? 14.041  19.381  9.785   1.00 1.15  1   CB 1 
HETATM 3136 O O5  . LIG_CB CB 32 .   ? 15.522  21.280  10.041  1.00 1.20  1   CB 1 
HETATM 3137 O O6  . LIG_CB CB 32 .   ? 13.127  21.573  10.211  1.00 1.22  1   CB 1 
HETATM 3138 O O7  . LIG_CB CB 32 .   ? 14.408  23.444  5.628   1.00 1.25  1   CB 1 
HETATM 3139 C C22 . LIG_CB CB 32 .   ? 15.506  23.714  5.087   1.00 1.25  1   CB 1 
HETATM 3140 O O8  . LIG_CB CB 32 .   ? 16.422  22.951  5.118   1.00 1.30  1   CB 1 
HETATM 3141 C C23 . LIG_CB CB 32 .   ? 15.557  24.901  4.451   1.00 1.21  1   CB 1 
HETATM 3142 C C24 . LIG_CB CB 32 .   ? 16.231  24.935  3.346   1.00 1.37  1   CB 1 
HETATM 3143 C C25 . LIG_CB CB 32 .   ? 16.215  25.945  2.587   1.00 1.38  1   CB 1 
HETATM 3144 C C26 . LIG_CB CB 32 .   ? 16.728  26.027  1.457   1.00 1.42  1   CB 1 
HETATM 3145 C C27 . LIG_CB CB 32 .   ? 16.731  26.935  0.641   1.00 1.39  1   CB 1 
HETATM 3146 C C28 . LIG_CB CB 32 .   ? 17.164  27.129  -0.456  1.00 1.28  1   CB 1 
HETATM 3147 C C29 . LIG_CB CB 32 .   ? 17.222  27.842  -1.352  1.00 1.32  1   CB 1 
HETATM 3148 C C30 . LIG_CB CB 32 .   ? 17.455  28.235  -2.361  1.00 1.33  1   CB 1 
HETATM 3149 C C31 . LIG_CB CB 32 .   ? 17.574  28.823  -3.292  1.00 1.29  1   CB 1 
HETATM 3150 C C32 . LIG_CB CB 32 .   ? 17.764  29.305  -4.225  1.00 1.32  1   CB 1 
HETATM 3151 C C33 . LIG_CB CB 32 .   ? 17.970  29.901  -5.119  1.00 1.27  1   CB 1 
HETATM 3152 C C34 . LIG_CB CB 32 .   ? 18.242  30.428  -6.037  1.00 1.27  1   CB 1 
HETATM 3153 C C35 . LIG_CB CB 32 .   ? 18.500  30.949  -6.963  1.00 1.25  1   CB 1 
HETATM 3154 C C36 . LIG_CB CB 32 .   ? 18.787  31.447  -7.882  1.00 1.31  1   CB 1 
HETATM 3155 C C37 . LIG_CB CB 32 .   ? 19.034  31.876  -8.906  1.00 1.33  1   CB 1 
HETATM 3156 C C38 . LIG_CB CB 32 .   ? 19.276  32.409  -9.831  1.00 1.23  1   CB 1 
HETATM 3157 C C39 . LIG_CB CB 32 .   ? 19.450  32.762  -10.975 1.00 1.20  1   CB 1 
HETATM 3158 C C1  . LIG_AC AC 33 .   ? 12.013  -3.083  -34.066 1.00 2.07  1   AC 1 
HETATM 3159 C C2  . LIG_AC AC 33 .   ? 12.587  -3.699  -34.526 1.00 2.38  1   AC 1 
HETATM 3160 C C3  . LIG_AC AC 33 .   ? 13.036  -4.699  -34.503 1.00 2.42  1   AC 1 
HETATM 3161 C C4  . LIG_AC AC 33 .   ? 13.290  -5.693  -34.262 1.00 2.68  1   AC 1 
HETATM 3162 C C5  . LIG_AC AC 33 .   ? 13.446  -6.707  -33.885 1.00 2.23  1   AC 1 
HETATM 3163 C C6  . LIG_AC AC 33 .   ? 13.433  -7.680  -33.379 1.00 1.87  1   AC 1 
HETATM 3164 C C7  . LIG_AC AC 33 .   ? 13.301  -8.583  -32.822 1.00 1.92  1   AC 1 
HETATM 3165 C C8  . LIG_AC AC 33 .   ? 13.063  -9.431  -32.200 1.00 1.75  1   AC 1 
HETATM 3166 C C9  . LIG_AC AC 33 .   ? 12.775  -10.203 -31.533 1.00 1.79  1   AC 1 
HETATM 3167 C C10 . LIG_AC AC 33 .   ? 12.459  -10.967 -30.799 1.00 1.82  1   AC 1 
HETATM 3168 C C11 . LIG_AC AC 33 .   ? 12.138  -11.657 -30.050 1.00 1.92  1   AC 1 
HETATM 3169 C C12 . LIG_AC AC 33 .   ? 11.813  -12.326 -29.239 1.00 1.95  1   AC 1 
HETATM 3170 C C13 . LIG_AC AC 33 .   ? 11.495  -12.986 -28.452 1.00 1.63  1   AC 1 
HETATM 3171 C C14 . LIG_AC AC 33 .   ? 11.215  -13.685 -27.630 1.00 1.54  1   AC 1 
HETATM 3172 C C15 . LIG_AC AC 33 .   ? 10.965  -14.371 -26.868 1.00 1.53  1   AC 1 
HETATM 3173 C C16 . LIG_AC AC 33 .   ? 10.767  -15.155 -26.073 1.00 1.49  1   AC 1 
HETATM 3174 C C17 . LIG_AC AC 33 .   ? 10.653  -15.863 -25.385 1.00 1.32  1   AC 1 
HETATM 3175 C C18 . LIG_AC AC 33 .   ? 10.575  -16.818 -24.574 1.00 1.39  1   AC 1 
HETATM 3176 O O1  . LIG_AC AC 33 .   ? 10.077  -17.828 -24.840 1.00 1.87  1   AC 1 
HETATM 3177 O O2  . LIG_AC AC 33 .   ? 11.085  -16.564 -23.523 1.00 1.81  1   AC 1 
HETATM 3178 C C19 . LIG_AC AC 33 .   ? 11.103  -17.528 -22.651 1.00 1.29  1   AC 1 
HETATM 3179 C C20 . LIG_AC AC 33 .   ? 11.713  -17.099 -21.430 1.00 1.38  1   AC 1 
HETATM 3180 C C21 . LIG_AC AC 33 .   ? 11.473  -18.094 -20.369 1.00 1.35  1   AC 1 
HETATM 3181 O O3  . LIG_AC AC 33 .   ? 12.006  -19.255 -20.734 1.00 1.36  1   AC 1 
HETATM 3182 P P1  . LIG_AC AC 33 .   ? 11.776  -20.542 -19.920 1.00 1.32  1   AC 1 
HETATM 3183 O O4  . LIG_AC AC 33 .   ? 12.480  -20.428 -18.674 1.00 1.23  1   AC 1 
HETATM 3184 O O5  . LIG_AC AC 33 .   ? 10.428  -20.864 -19.917 1.00 1.20  1   AC 1 
HETATM 3185 O O6  . LIG_AC AC 33 .   ? 12.584  -21.508 -20.776 1.00 1.33  1   AC 1 
HETATM 3186 C C22 . LIG_AC AC 33 .   ? 12.318  -21.853 -21.929 1.00 1.41  1   AC 1 
HETATM 3187 C C23 . LIG_AC AC 33 .   ? 13.449  -21.966 -22.711 1.00 1.36  1   AC 1 
HETATM 3188 N N1  . LIG_AC AC 33 .   ? 13.349  -22.509 -23.940 1.00 2.18  1   AC 1 
HETATM 3189 C C24 . LIG_AC AC 33 .   ? 12.994  -23.868 -23.812 1.00 1.53  1   AC 1 
HETATM 3190 C C25 . LIG_AC AC 33 .   ? 12.379  -21.816 -24.669 1.00 1.57  1   AC 1 
HETATM 3191 C C26 . LIG_AC AC 33 .   ? 14.576  -22.425 -24.559 1.00 1.55  1   AC 1 
HETATM 3192 O O7  . LIG_AC AC 33 .   ? 11.086  -15.924 -21.072 1.00 1.59  1   AC 1 
HETATM 3193 C C27 . LIG_AC AC 33 .   ? 11.819  -15.002 -20.712 1.00 1.61  1   AC 1 
HETATM 3194 O O8  . LIG_AC AC 33 .   ? 12.763  -15.154 -20.023 1.00 1.64  1   AC 1 
HETATM 3195 C C28 . LIG_AC AC 33 .   ? 11.481  -13.843 -21.189 1.00 1.54  1   AC 1 
HETATM 3196 C C29 . LIG_AC AC 33 .   ? 11.386  -13.139 -21.991 1.00 1.65  1   AC 1 
HETATM 3197 C C30 . LIG_AC AC 33 .   ? 11.231  -12.318 -22.754 1.00 1.70  1   AC 1 
HETATM 3198 C C31 . LIG_AC AC 33 .   ? 11.116  -11.567 -23.561 1.00 1.63  1   AC 1 
HETATM 3199 C C32 . LIG_AC AC 33 .   ? 10.978  -10.777 -24.330 1.00 1.89  1   AC 1 
HETATM 3200 C C33 . LIG_AC AC 33 .   ? 10.844  -9.996  -25.110 1.00 1.74  1   AC 1 
HETATM 3201 C C34 . LIG_AC AC 33 .   ? 10.710  -9.176  -25.882 1.00 1.69  1   AC 1 
HETATM 3202 C C35 . LIG_AC AC 33 .   ? 10.590  -8.356  -26.633 1.00 1.76  1   AC 1 
HETATM 3203 C C36 . LIG_AC AC 33 .   ? 10.499  -7.506  -27.384 1.00 1.85  1   AC 1 
HETATM 3204 C C37 . LIG_AC AC 33 .   ? 10.451  -6.664  -28.141 1.00 1.85  1   AC 1 
HETATM 3205 C C38 . LIG_AC AC 33 .   ? 10.450  -5.817  -28.917 1.00 1.66  1   AC 1 
HETATM 3206 C C39 . LIG_AC AC 33 .   ? 10.503  -4.985  -29.716 1.00 1.83  1   AC 1 
HETATM 3207 C C40 . LIG_AC AC 33 .   ? 10.593  -4.187  -30.525 1.00 1.95  1   AC 1 
HETATM 3208 C C41 . LIG_AC AC 33 .   ? 10.707  -3.416  -31.348 1.00 1.67  1   AC 1 
HETATM 3209 C C42 . LIG_AC AC 33 .   ? 10.835  -2.707  -32.165 1.00 1.74  1   AC 1 
HETATM 3210 C C43 . LIG_AC AC 33 .   ? 10.900  -1.966  -32.954 1.00 1.45  1   AC 1 
HETATM 3211 C C44 . LIG_AC AC 33 .   ? 10.903  -1.091  -33.781 1.00 1.51  1   AC 1 
HETATM 3212 C C1  . LIG_BC BC 34 .   ? 20.991  23.062  -16.708 1.00 1.28  1   BC 1 
HETATM 3213 C C2  . LIG_BC BC 34 .   ? 20.703  23.390  -15.520 1.00 1.30  1   BC 1 
HETATM 3214 C C3  . LIG_BC BC 34 .   ? 20.421  22.914  -14.492 1.00 1.31  1   BC 1 
HETATM 3215 C C4  . LIG_BC BC 34 .   ? 20.150  23.160  -13.313 1.00 1.35  1   BC 1 
HETATM 3216 C C5  . LIG_BC BC 34 .   ? 19.856  22.612  -12.302 1.00 1.39  1   BC 1 
HETATM 3217 C C6  . LIG_BC BC 34 .   ? 19.609  22.604  -11.161 1.00 1.34  1   BC 1 
HETATM 3218 C C7  . LIG_BC BC 34 .   ? 19.378  21.992  -10.230 1.00 1.32  1   BC 1 
HETATM 3219 C C8  . LIG_BC BC 34 .   ? 19.212  21.547  -9.249  1.00 1.34  1   BC 1 
HETATM 3220 C C9  . LIG_BC BC 34 .   ? 19.078  20.923  -8.341  1.00 1.36  1   BC 1 
HETATM 3221 C C10 . LIG_BC BC 34 .   ? 18.928  20.276  -7.437  1.00 1.43  1   BC 1 
HETATM 3222 C C11 . LIG_BC BC 34 .   ? 18.839  19.619  -6.556  1.00 1.43  1   BC 1 
HETATM 3223 C C12 . LIG_BC BC 34 .   ? 18.627  18.873  -5.721  1.00 1.46  1   BC 1 
HETATM 3224 C C13 . LIG_BC BC 34 .   ? 18.615  18.239  -4.789  1.00 1.36  1   BC 1 
HETATM 3225 C C14 . LIG_BC BC 34 .   ? 18.371  17.374  -4.033  1.00 1.38  1   BC 1 
HETATM 3226 C C15 . LIG_BC BC 34 .   ? 18.511  16.852  -3.014  1.00 1.36  1   BC 1 
HETATM 3227 C C16 . LIG_BC BC 34 .   ? 18.136  15.859  -2.348  1.00 1.35  1   BC 1 
HETATM 3228 C C17 . LIG_BC BC 34 .   ? 18.382  15.584  -1.182  1.00 1.23  1   BC 1 
HETATM 3229 C C18 . LIG_BC BC 34 .   ? 18.011  14.612  -0.382  1.00 1.24  1   BC 1 
HETATM 3230 O O1  . LIG_BC BC 34 .   ? 17.654  14.873  0.701   1.00 1.58  1   BC 1 
HETATM 3231 O O2  . LIG_BC BC 34 .   ? 18.033  13.460  -0.828  1.00 1.43  1   BC 1 
HETATM 3232 C C19 . LIG_BC BC 34 .   ? 17.687  12.462  -0.003  1.00 1.20  1   BC 1 
HETATM 3233 C C20 . LIG_BC BC 34 .   ? 17.118  11.318  -0.740  1.00 1.23  1   BC 1 
HETATM 3234 C C21 . LIG_BC BC 34 .   ? 17.374  10.043  -0.038  1.00 1.20  1   BC 1 
HETATM 3235 O O3  . LIG_BC BC 34 .   ? 16.418  9.839   0.865   1.00 1.23  1   BC 1 
HETATM 3236 P P1  . LIG_BC BC 34 .   ? 15.970  8.440   1.281   1.00 1.23  1   BC 1 
HETATM 3237 O O4  . LIG_BC BC 34 .   ? 14.752  8.619   2.018   1.00 1.16  1   BC 1 
HETATM 3238 O O5  . LIG_BC BC 34 .   ? 16.006  7.534   0.205   1.00 1.18  1   BC 1 
HETATM 3239 O O6  . LIG_BC BC 34 .   ? 17.054  8.006   2.330   1.00 1.19  1   BC 1 
HETATM 3240 C C22 . LIG_BC BC 34 .   ? 16.832  6.935   3.059   1.00 1.24  1   BC 1 
HETATM 3241 C C23 . LIG_BC BC 34 .   ? 17.778  6.767   4.068   1.00 1.22  1   BC 1 
HETATM 3242 N N1  . LIG_BC BC 34 .   ? 17.952  7.834   4.838   1.00 1.41  1   BC 1 
HETATM 3243 O O7  . LIG_BC BC 34 .   ? 17.700  11.211  -1.965  1.00 1.26  1   BC 1 
HETATM 3244 C C24 . LIG_BC BC 34 .   ? 16.964  11.539  -2.924  1.00 1.23  1   BC 1 
HETATM 3245 O O8  . LIG_BC BC 34 .   ? 15.805  11.753  -2.757  1.00 1.32  1   BC 1 
HETATM 3246 C C25 . LIG_BC BC 34 .   ? 17.577  11.661  -4.136  1.00 1.24  1   BC 1 
HETATM 3247 C C26 . LIG_BC BC 34 .   ? 16.887  12.432  -4.961  1.00 1.38  1   BC 1 
HETATM 3248 C C27 . LIG_BC BC 34 .   ? 17.304  12.709  -6.111  1.00 1.38  1   BC 1 
HETATM 3249 C C28 . LIG_BC BC 34 .   ? 16.670  13.360  -6.952  1.00 1.30  1   BC 1 
HETATM 3250 C C29 . LIG_BC BC 34 .   ? 16.755  13.741  -8.030  1.00 1.34  1   BC 1 
HETATM 3251 C C30 . LIG_BC BC 34 .   ? 16.390  14.128  -9.000  1.00 1.34  1   BC 1 
HETATM 3252 C C31 . LIG_BC BC 34 .   ? 16.256  14.527  -10.041 1.00 1.29  1   BC 1 
HETATM 3253 C C32 . LIG_BC BC 34 .   ? 15.904  14.766  -11.041 1.00 1.33  1   BC 1 
HETATM 3254 C C33 . LIG_BC BC 34 .   ? 15.706  15.158  -12.037 1.00 1.29  1   BC 1 
HETATM 3255 C C34 . LIG_BC BC 34 .   ? 15.418  15.269  -13.103 1.00 1.28  1   BC 1 
HETATM 3256 C C35 . LIG_BC BC 34 .   ? 15.239  15.785  -14.097 1.00 1.30  1   BC 1 
HETATM 3257 C C36 . LIG_BC BC 34 .   ? 14.968  15.727  -15.233 1.00 1.32  1   BC 1 
HETATM 3258 C C37 . LIG_BC BC 34 .   ? 14.846  16.414  -16.190 1.00 1.35  1   BC 1 
HETATM 3259 C C38 . LIG_BC BC 34 .   ? 14.555  16.347  -17.357 1.00 1.27  1   BC 1 
HETATM 3260 C C39 . LIG_BC BC 34 .   ? 14.459  17.155  -18.284 1.00 1.28  1   BC 1 
HETATM 3261 C C40 . LIG_BC BC 34 .   ? 14.163  17.199  -19.427 1.00 1.30  1   BC 1 
HETATM 3262 C C41 . LIG_BC BC 34 .   ? 14.118  18.115  -20.312 1.00 1.19  1   BC 1 
HETATM 3263 C C1  . LIG_CC CC 35 .   ? 0.716   36.747  -12.241 1.00 1.28  1   CC 1 
HETATM 3264 C C2  . LIG_CC CC 35 .   ? 0.488   35.995  -11.291 1.00 1.27  1   CC 1 
HETATM 3265 C C3  . LIG_CC CC 35 .   ? 0.748   35.811  -10.196 1.00 1.24  1   CC 1 
HETATM 3266 C C4  . LIG_CC CC 35 .   ? 0.619   35.089  -9.277  1.00 1.30  1   CC 1 
HETATM 3267 C C5  . LIG_CC CC 35 .   ? 0.919   34.791  -8.219  1.00 1.34  1   CC 1 
HETATM 3268 C C6  . LIG_CC CC 35 .   ? 0.872   33.960  -7.430  1.00 1.34  1   CC 1 
HETATM 3269 C C7  . LIG_CC CC 35 .   ? 1.091   33.361  -6.556  1.00 1.31  1   CC 1 
HETATM 3270 C C8  . LIG_CC CC 35 .   ? 1.046   32.529  -5.824  1.00 1.36  1   CC 1 
HETATM 3271 C C9  . LIG_CC CC 35 .   ? 1.031   31.813  -5.036  1.00 1.39  1   CC 1 
HETATM 3272 C C10 . LIG_CC CC 35 .   ? 0.842   31.017  -4.272  1.00 1.42  1   CC 1 
HETATM 3273 C C11 . LIG_CC CC 35 .   ? 0.573   30.339  -3.478  1.00 1.43  1   CC 1 
HETATM 3274 C C12 . LIG_CC CC 35 .   ? 0.208   29.586  -2.702  1.00 1.54  1   CC 1 
HETATM 3275 C C13 . LIG_CC CC 35 .   ? -0.282  29.278  -1.742  1.00 1.37  1   CC 1 
HETATM 3276 C C14 . LIG_CC CC 35 .   ? -0.680  28.525  -0.938  1.00 1.35  1   CC 1 
HETATM 3277 C C15 . LIG_CC CC 35 .   ? -1.236  28.409  0.076   1.00 1.35  1   CC 1 
HETATM 3278 C C16 . LIG_CC CC 35 .   ? -1.579  27.557  0.892   1.00 1.38  1   CC 1 
HETATM 3279 C C17 . LIG_CC CC 35 .   ? -2.301  27.678  1.911   1.00 1.24  1   CC 1 
HETATM 3280 C C18 . LIG_CC CC 35 .   ? -2.583  26.647  2.747   1.00 1.24  1   CC 1 
HETATM 3281 O O1  . LIG_CC CC 35 .   ? -1.787  26.200  3.484   1.00 1.47  1   CC 1 
HETATM 3282 O O2  . LIG_CC CC 35 .   ? -3.749  26.277  2.674   1.00 1.41  1   CC 1 
HETATM 3283 C C19 . LIG_CC CC 35 .   ? -4.118  25.215  3.401   1.00 1.18  1   CC 1 
HETATM 3284 C C20 . LIG_CC CC 35 .   ? -5.532  24.909  3.106   1.00 1.17  1   CC 1 
HETATM 3285 C C21 . LIG_CC CC 35 .   ? -5.916  23.664  3.800   1.00 1.16  1   CC 1 
HETATM 3286 O O3  . LIG_CC CC 35 .   ? -6.297  23.940  5.069   1.00 1.22  1   CC 1 
HETATM 3287 P P1  . LIG_CC CC 35 .   ? -6.594  22.841  6.129   1.00 1.16  1   CC 1 
HETATM 3288 O O4  . LIG_CC CC 35 .   ? -7.804  23.282  6.767   1.00 1.16  1   CC 1 
HETATM 3289 O O5  . LIG_CC CC 35 .   ? -6.712  21.595  5.427   1.00 1.21  1   CC 1 
HETATM 3290 O O6  . LIG_CC CC 35 .   ? -5.467  22.871  7.040   1.00 1.21  1   CC 1 
HETATM 3291 O O7  . LIG_CC CC 35 .   ? -5.674  24.682  1.760   1.00 1.22  1   CC 1 
HETATM 3292 C C22 . LIG_CC CC 35 .   ? -6.247  25.608  1.099   1.00 1.23  1   CC 1 
HETATM 3293 O O8  . LIG_CC CC 35 .   ? -6.821  26.483  1.640   1.00 1.26  1   CC 1 
HETATM 3294 C C23 . LIG_CC CC 35 .   ? -6.085  25.499  -0.240  1.00 1.19  1   CC 1 
HETATM 3295 C C24 . LIG_CC CC 35 .   ? -5.962  26.580  -0.935  1.00 1.29  1   CC 1 
HETATM 3296 C C25 . LIG_CC CC 35 .   ? -5.606  26.559  -2.139  1.00 1.30  1   CC 1 
HETATM 3297 C C26 . LIG_CC CC 35 .   ? -5.528  27.521  -2.910  1.00 1.27  1   CC 1 
HETATM 3298 C C27 . LIG_CC CC 35 .   ? -5.188  27.589  -4.089  1.00 1.28  1   CC 1 
HETATM 3299 C C28 . LIG_CC CC 35 .   ? -5.208  28.413  -4.939  1.00 1.23  1   CC 1 
HETATM 3300 C C29 . LIG_CC CC 35 .   ? -4.944  28.749  -6.005  1.00 1.24  1   CC 1 
HETATM 3301 C C30 . LIG_CC CC 35 .   ? -4.873  29.432  -6.893  1.00 1.26  1   CC 1 
HETATM 3302 C C31 . LIG_CC CC 35 .   ? -4.629  29.978  -7.819  1.00 1.25  1   CC 1 
HETATM 3303 C C32 . LIG_CC CC 35 .   ? -4.465  30.695  -8.619  1.00 1.30  1   CC 1 
HETATM 3304 C C33 . LIG_CC CC 35 .   ? -4.083  31.236  -9.481  1.00 1.24  1   CC 1 
HETATM 3305 C C34 . LIG_CC CC 35 .   ? -3.864  32.055  -10.201 1.00 1.24  1   CC 1 
HETATM 3306 C C35 . LIG_CC CC 35 .   ? -3.314  32.487  -11.088 1.00 1.23  1   CC 1 
HETATM 3307 C C36 . LIG_CC CC 35 .   ? -3.063  33.329  -11.782 1.00 1.25  1   CC 1 
HETATM 3308 C C37 . LIG_CC CC 35 .   ? -2.439  33.635  -12.748 1.00 1.21  1   CC 1 
HETATM 3309 C C38 . LIG_CC CC 35 .   ? -2.537  33.610  -13.878 1.00 1.18  1   CC 1 
HETATM 3310 C C39 . LIG_CC CC 35 .   ? -1.913  33.829  -14.909 1.00 1.18  1   CC 1 
HETATM 3311 C C1  . LIG_AD AD 36 .   ? 16.800  9.061   -25.494 1.00 1.90  1   AD 1 
HETATM 3312 C C2  . LIG_AD AD 36 .   ? 16.913  9.265   -24.603 1.00 2.20  1   AD 1 
HETATM 3313 C C3  . LIG_AD AD 36 .   ? 17.055  8.879   -23.568 1.00 2.16  1   AD 1 
HETATM 3314 C C4  . LIG_AD AD 36 .   ? 17.182  8.308   -22.650 1.00 2.36  1   AD 1 
HETATM 3315 C C5  . LIG_AD AD 36 .   ? 17.304  7.641   -21.770 1.00 2.10  1   AD 1 
HETATM 3316 C C6  . LIG_AD AD 36 .   ? 17.421  6.898   -20.938 1.00 1.91  1   AD 1 
HETATM 3317 C C7  . LIG_AD AD 36 .   ? 17.533  6.146   -20.134 1.00 1.97  1   AD 1 
HETATM 3318 C C8  . LIG_AD AD 36 .   ? 17.650  5.364   -19.352 1.00 1.87  1   AD 1 
HETATM 3319 C C9  . LIG_AD AD 36 .   ? 17.776  4.588   -18.585 1.00 2.00  1   AD 1 
HETATM 3320 C C10 . LIG_AD AD 36 .   ? 17.914  3.765   -17.794 1.00 2.10  1   AD 1 
HETATM 3321 C C11 . LIG_AD AD 36 .   ? 18.066  2.955   -17.042 1.00 1.98  1   AD 1 
HETATM 3322 C C12 . LIG_AD AD 36 .   ? 18.201  2.104   -16.296 1.00 2.12  1   AD 1 
HETATM 3323 C C13 . LIG_AD AD 36 .   ? 18.331  1.264   -15.572 1.00 1.63  1   AD 1 
HETATM 3324 C C14 . LIG_AD AD 36 .   ? 18.455  0.356   -14.888 1.00 1.61  1   AD 1 
HETATM 3325 C C15 . LIG_AD AD 36 .   ? 18.590  -0.495  -14.221 1.00 1.59  1   AD 1 
HETATM 3326 C C16 . LIG_AD AD 36 .   ? 18.676  -1.455  -13.556 1.00 1.58  1   AD 1 
HETATM 3327 C C17 . LIG_AD AD 36 .   ? 18.755  -2.260  -12.906 1.00 1.39  1   AD 1 
HETATM 3328 C C18 . LIG_AD AD 36 .   ? 18.785  -3.400  -12.327 1.00 1.44  1   AD 1 
HETATM 3329 O O1  . LIG_AD AD 36 .   ? 18.871  -3.491  -11.171 1.00 2.16  1   AD 1 
HETATM 3330 O O2  . LIG_AD AD 36 .   ? 18.664  -4.335  -13.112 1.00 1.91  1   AD 1 
HETATM 3331 C C19 . LIG_AD AD 36 .   ? 18.648  -5.553  -12.640 1.00 1.46  1   AD 1 
HETATM 3332 C C20 . LIG_AD AD 36 .   ? 18.697  -6.578  -13.691 1.00 1.50  1   AD 1 
HETATM 3333 C C21 . LIG_AD AD 36 .   ? 19.290  -7.808  -13.130 1.00 1.46  1   AD 1 
HETATM 3334 O O3  . LIG_AD AD 36 .   ? 18.690  -8.081  -11.985 1.00 1.49  1   AD 1 
HETATM 3335 P P1  . LIG_AD AD 36 .   ? 19.243  -9.120  -11.037 1.00 1.47  1   AD 1 
HETATM 3336 O O4  . LIG_AD AD 36 .   ? 19.095  -8.600  -9.712  1.00 1.30  1   AD 1 
HETATM 3337 O O5  . LIG_AD AD 36 .   ? 20.447  -9.624  -11.487 1.00 1.33  1   AD 1 
HETATM 3338 O O6  . LIG_AD AD 36 .   ? 18.082  -10.184 -11.215 1.00 1.45  1   AD 1 
HETATM 3339 C C22 . LIG_AD AD 36 .   ? 18.195  -11.402 -11.072 1.00 1.65  1   AD 1 
HETATM 3340 C C23 . LIG_AD AD 36 .   ? 18.304  -11.824 -9.760  1.00 1.53  1   AD 1 
HETATM 3341 N N1  . LIG_AD AD 36 .   ? 19.268  -12.763 -9.453  1.00 2.54  1   AD 1 
HETATM 3342 C C24 . LIG_AD AD 36 .   ? 18.669  -13.878 -8.876  1.00 1.69  1   AD 1 
HETATM 3343 C C25 . LIG_AD AD 36 .   ? 19.981  -13.158 -10.605 1.00 1.70  1   AD 1 
HETATM 3344 C C26 . LIG_AD AD 36 .   ? 20.160  -12.199 -8.503  1.00 1.76  1   AD 1 
HETATM 3345 O O7  . LIG_AD AD 36 .   ? 19.510  -6.120  -14.696 1.00 1.65  1   AD 1 
HETATM 3346 C C27 . LIG_AD AD 36 .   ? 18.931  -5.960  -15.803 1.00 1.65  1   AD 1 
HETATM 3347 O O8  . LIG_AD AD 36 .   ? 17.917  -6.513  -16.061 1.00 1.77  1   AD 1 
HETATM 3348 C C28 . LIG_AD AD 36 .   ? 19.457  -5.093  -16.609 1.00 1.50  1   AD 1 
HETATM 3349 C C29 . LIG_AD AD 36 .   ? 19.103  -4.297  -17.353 1.00 1.67  1   AD 1 
HETATM 3350 C C30 . LIG_AD AD 36 .   ? 18.980  -3.433  -18.062 1.00 1.76  1   AD 1 
HETATM 3351 C C31 . LIG_AD AD 36 .   ? 18.714  -2.580  -18.770 1.00 1.61  1   AD 1 
HETATM 3352 C C32 . LIG_AD AD 36 .   ? 18.479  -1.738  -19.486 1.00 1.79  1   AD 1 
HETATM 3353 C C33 . LIG_AD AD 36 .   ? 18.206  -0.899  -20.217 1.00 1.71  1   AD 1 
HETATM 3354 C C34 . LIG_AD AD 36 .   ? 17.943  -0.057  -20.955 1.00 1.73  1   AD 1 
HETATM 3355 C C35 . LIG_AD AD 36 .   ? 17.669  0.780   -21.701 1.00 1.71  1   AD 1 
HETATM 3356 C C36 . LIG_AD AD 36 .   ? 17.415  1.634   -22.443 1.00 1.80  1   AD 1 
HETATM 3357 C C37 . LIG_AD AD 36 .   ? 17.195  2.512   -23.184 1.00 1.83  1   AD 1 
HETATM 3358 C C38 . LIG_AD AD 36 .   ? 17.014  3.412   -23.913 1.00 1.68  1   AD 1 
HETATM 3359 C C39 . LIG_AD AD 36 .   ? 16.872  4.337   -24.637 1.00 1.82  1   AD 1 
HETATM 3360 C C40 . LIG_AD AD 36 .   ? 16.772  5.267   -25.325 1.00 1.87  1   AD 1 
HETATM 3361 C C41 . LIG_AD AD 36 .   ? 16.694  6.204   -26.003 1.00 1.60  1   AD 1 
HETATM 3362 C C42 . LIG_AD AD 36 .   ? 16.643  7.094   -26.659 1.00 1.63  1   AD 1 
HETATM 3363 C C43 . LIG_AD AD 36 .   ? 16.581  7.953   -27.366 1.00 1.40  1   AD 1 
HETATM 3364 C C44 . LIG_AD AD 36 .   ? 16.516  8.823   -28.179 1.00 1.48  1   AD 1 
HETATM 3365 C C1  . LIG_BD BD 37 .   ? 2.151   31.931  -16.049 1.00 1.14  1   BD 1 
HETATM 3366 C C2  . LIG_BD BD 37 .   ? 1.591   31.634  -14.974 1.00 1.13  1   BD 1 
HETATM 3367 C C3  . LIG_BD BD 37 .   ? 1.347   30.614  -14.395 1.00 1.15  1   BD 1 
HETATM 3368 C C4  . LIG_BD BD 37 .   ? 0.836   30.257  -13.384 1.00 1.15  1   BD 1 
HETATM 3369 C C5  . LIG_BD BD 37 .   ? 0.633   29.249  -12.769 1.00 1.19  1   BD 1 
HETATM 3370 C C6  . LIG_BD BD 37 .   ? 0.164   28.800  -11.846 1.00 1.14  1   BD 1 
HETATM 3371 C C7  . LIG_BD BD 37 .   ? -0.004  27.870  -11.183 1.00 1.18  1   BD 1 
HETATM 3372 C C8  . LIG_BD BD 37 .   ? -0.453  27.394  -10.310 1.00 1.20  1   BD 1 
HETATM 3373 C C9  . LIG_BD BD 37 .   ? -0.663  26.694  -9.516  1.00 1.19  1   BD 1 
HETATM 3374 C C10 . LIG_BD BD 37 .   ? -1.046  26.239  -8.597  1.00 1.23  1   BD 1 
HETATM 3375 C C11 . LIG_BD BD 37 .   ? -1.216  25.693  -7.679  1.00 1.23  1   BD 1 
HETATM 3376 C C12 . LIG_BD BD 37 .   ? -1.746  25.503  -6.662  1.00 1.31  1   BD 1 
HETATM 3377 C C13 . LIG_BD BD 37 .   ? -1.747  24.896  -5.713  1.00 1.26  1   BD 1 
HETATM 3378 C C14 . LIG_BD BD 37 .   ? -2.237  24.646  -4.706  1.00 1.29  1   BD 1 
HETATM 3379 C C15 . LIG_BD BD 37 .   ? -2.175  23.979  -3.791  1.00 1.28  1   BD 1 
HETATM 3380 C C16 . LIG_BD BD 37 .   ? -2.733  23.723  -2.747  1.00 1.31  1   BD 1 
HETATM 3381 C C17 . LIG_BD BD 37 .   ? -2.435  22.843  -1.934  1.00 1.22  1   BD 1 
HETATM 3382 C C18 . LIG_BD BD 37 .   ? -3.115  22.682  -0.807  1.00 1.22  1   BD 1 
HETATM 3383 O O1  . LIG_BD BD 37 .   ? -3.881  23.476  -0.422  1.00 1.53  1   BD 1 
HETATM 3384 O O2  . LIG_BD BD 37 .   ? -2.865  21.657  -0.236  1.00 1.43  1   BD 1 
HETATM 3385 C C19 . LIG_BD BD 37 .   ? -3.446  21.504  0.921   1.00 1.18  1   BD 1 
HETATM 3386 C C20 . LIG_BD BD 37 .   ? -3.776  20.120  1.164   1.00 1.19  1   BD 1 
HETATM 3387 C C21 . LIG_BD BD 37 .   ? -3.557  19.810  2.599   1.00 1.17  1   BD 1 
HETATM 3388 O O3  . LIG_BD BD 37 .   ? -3.648  18.483  2.749   1.00 1.20  1   BD 1 
HETATM 3389 P P1  . LIG_BD BD 37 .   ? -3.307  17.786  4.058   1.00 1.17  1   BD 1 
HETATM 3390 O O4  . LIG_BD BD 37 .   ? -2.646  18.687  4.939   1.00 1.12  1   BD 1 
HETATM 3391 O O5  . LIG_BD BD 37 .   ? -2.743  16.526  3.736   1.00 1.14  1   BD 1 
HETATM 3392 O O6  . LIG_BD BD 37 .   ? -4.747  17.534  4.588   1.00 1.16  1   BD 1 
HETATM 3393 C C22 . LIG_BD BD 37 .   ? -4.963  16.954  5.735   1.00 1.16  1   BD 1 
HETATM 3394 C C23 . LIG_BD BD 37 .   ? -5.742  17.784  6.544   1.00 1.18  1   BD 1 
HETATM 3395 N N1  . LIG_BD BD 37 .   ? -6.632  18.505  5.868   1.00 1.31  1   BD 1 
HETATM 3396 O O7  . LIG_BD BD 37 .   ? -2.929  19.315  0.417   1.00 1.25  1   BD 1 
HETATM 3397 C C24 . LIG_BD BD 37 .   ? -3.504  18.558  -0.428  1.00 1.21  1   BD 1 
HETATM 3398 O O8  . LIG_BD BD 37 .   ? -4.663  18.325  -0.369  1.00 1.29  1   BD 1 
HETATM 3399 C C25 . LIG_BD BD 37 .   ? -2.685  18.096  -1.431  1.00 1.22  1   BD 1 
HETATM 3400 C C26 . LIG_BD BD 37 .   ? -3.088  18.512  -2.650  1.00 1.37  1   BD 1 
HETATM 3401 C C27 . LIG_BD BD 37 .   ? -2.255  18.781  -3.541  1.00 1.41  1   BD 1 
HETATM 3402 C C28 . LIG_BD BD 37 .   ? -2.330  19.390  -4.559  1.00 1.32  1   BD 1 
HETATM 3403 C C29 . LIG_BD BD 37 .   ? -1.712  19.863  -5.370  1.00 1.32  1   BD 1 
HETATM 3404 C C30 . LIG_BD BD 37 .   ? -1.497  20.390  -6.308  1.00 1.35  1   BD 1 
HETATM 3405 C C31 . LIG_BD BD 37 .   ? -0.963  20.822  -7.138  1.00 1.29  1   BD 1 
HETATM 3406 C C32 . LIG_BD BD 37 .   ? -0.623  21.226  -8.049  1.00 1.33  1   BD 1 
HETATM 3407 C C33 . LIG_BD BD 37 .   ? -0.165  21.569  -8.922  1.00 1.27  1   BD 1 
HETATM 3408 C C34 . LIG_BD BD 37 .   ? 0.160   21.866  -9.885  1.00 1.29  1   BD 1 
HETATM 3409 C C35 . LIG_BD BD 37 .   ? 0.566   22.156  -10.824 1.00 1.28  1   BD 1 
HETATM 3410 C C36 . LIG_BD BD 37 .   ? 0.782   22.390  -11.835 1.00 1.36  1   BD 1 
HETATM 3411 C C37 . LIG_BD BD 37 .   ? 1.125   22.711  -12.808 1.00 1.35  1   BD 1 
HETATM 3412 C C38 . LIG_BD BD 37 .   ? 1.340   22.972  -13.823 1.00 1.30  1   BD 1 
HETATM 3413 C C39 . LIG_BD BD 37 .   ? 1.679   23.319  -14.813 1.00 1.25  1   BD 1 
HETATM 3414 C C40 . LIG_BD BD 37 .   ? 1.933   23.603  -15.807 1.00 1.24  1   BD 1 
HETATM 3415 C C41 . LIG_BD BD 37 .   ? 2.308   23.976  -16.862 1.00 1.21  1   BD 1 
HETATM 3416 C C1  . LIG_CD CD 38 .   ? 23.925  24.833  -13.337 1.00 1.33  1   CD 1 
HETATM 3417 C C2  . LIG_CD CD 38 .   ? 23.309  25.164  -12.269 1.00 1.30  1   CD 1 
HETATM 3418 C C3  . LIG_CD CD 38 .   ? 23.353  24.689  -11.153 1.00 1.30  1   CD 1 
HETATM 3419 C C4  . LIG_CD CD 38 .   ? 22.755  24.884  -10.110 1.00 1.34  1   CD 1 
HETATM 3420 C C5  . LIG_CD CD 38 .   ? 22.737  24.413  -9.000  1.00 1.35  1   CD 1 
HETATM 3421 C C6  . LIG_CD CD 38 .   ? 22.176  24.504  -7.993  1.00 1.31  1   CD 1 
HETATM 3422 C C7  . LIG_CD CD 38 .   ? 22.063  24.120  -6.925  1.00 1.30  1   CD 1 
HETATM 3423 C C8  . LIG_CD CD 38 .   ? 21.600  24.086  -5.944  1.00 1.33  1   CD 1 
HETATM 3424 C C9  . LIG_CD CD 38 .   ? 21.411  23.839  -4.903  1.00 1.34  1   CD 1 
HETATM 3425 C C10 . LIG_CD CD 38 .   ? 21.066  23.697  -3.878  1.00 1.42  1   CD 1 
HETATM 3426 C C11 . LIG_CD CD 38 .   ? 20.970  23.461  -2.821  1.00 1.43  1   CD 1 
HETATM 3427 C C12 . LIG_CD CD 38 .   ? 20.649  23.195  -1.798  1.00 1.56  1   CD 1 
HETATM 3428 C C13 . LIG_CD CD 38 .   ? 20.733  22.816  -0.758  1.00 1.38  1   CD 1 
HETATM 3429 C C14 . LIG_CD CD 38 .   ? 20.414  22.252  0.173   1.00 1.39  1   CD 1 
HETATM 3430 C C15 . LIG_CD CD 38 .   ? 20.798  21.663  1.094   1.00 1.34  1   CD 1 
HETATM 3431 C C16 . LIG_CD CD 38 .   ? 20.298  20.876  1.922   1.00 1.37  1   CD 1 
HETATM 3432 C C17 . LIG_CD CD 38 .   ? 20.996  20.012  2.564   1.00 1.23  1   CD 1 
HETATM 3433 C C18 . LIG_CD CD 38 .   ? 20.346  19.076  3.285   1.00 1.24  1   CD 1 
HETATM 3434 O O1  . LIG_CD CD 38 .   ? 19.445  19.352  4.011   1.00 1.53  1   CD 1 
HETATM 3435 O O2  . LIG_CD CD 38 .   ? 20.760  17.950  3.121   1.00 1.40  1   CD 1 
HETATM 3436 C C19 . LIG_CD CD 38 .   ? 20.170  16.979  3.785   1.00 1.18  1   CD 1 
HETATM 3437 C C20 . LIG_CD CD 38 .   ? 20.204  15.762  2.972   1.00 1.17  1   CD 1 
HETATM 3438 C C21 . LIG_CD CD 38 .   ? 19.439  14.681  3.643   1.00 1.18  1   CD 1 
HETATM 3439 O O3  . LIG_CD CD 38 .   ? 20.040  14.303  4.811   1.00 1.23  1   CD 1 
HETATM 3440 P P1  . LIG_CD CD 38 .   ? 19.542  13.038  5.566   1.00 1.20  1   CD 1 
HETATM 3441 O O4  . LIG_CD CD 38 .   ? 18.892  13.559  6.746   1.00 1.17  1   CD 1 
HETATM 3442 O O5  . LIG_CD CD 38 .   ? 18.659  12.359  4.668   1.00 1.22  1   CD 1 
HETATM 3443 O O6  . LIG_CD CD 38 .   ? 20.737  12.292  5.861   1.00 1.23  1   CD 1 
HETATM 3444 O O7  . LIG_CD CD 38 .   ? 21.514  15.330  2.833   1.00 1.29  1   CD 1 
HETATM 3445 C C22 . LIG_CD CD 38 .   ? 21.849  15.083  1.623   1.00 1.27  1   CD 1 
HETATM 3446 O O8  . LIG_CD CD 38 .   ? 21.072  15.158  0.739   1.00 1.33  1   CD 1 
HETATM 3447 C C23 . LIG_CD CD 38 .   ? 23.180  14.742  1.412   1.00 1.24  1   CD 1 
HETATM 3448 C C24 . LIG_CD CD 38 .   ? 23.640  15.127  0.212   1.00 1.41  1   CD 1 
HETATM 3449 C C25 . LIG_CD CD 38 .   ? 23.674  16.421  -0.072  1.00 1.49  1   CD 1 
HETATM 3450 C C26 . LIG_CD CD 38 .   ? 24.203  16.866  -1.150  1.00 1.56  1   CD 1 
HETATM 3451 C C27 . LIG_CD CD 38 .   ? 24.336  18.081  -1.447  1.00 1.52  1   CD 1 
HETATM 3452 C C28 . LIG_CD CD 38 .   ? 24.796  18.610  -2.404  1.00 1.39  1   CD 1 
HETATM 3453 C C29 . LIG_CD CD 38 .   ? 24.611  18.809  -3.492  1.00 1.42  1   CD 1 
HETATM 3454 C C30 . LIG_CD CD 38 .   ? 24.809  19.213  -4.494  1.00 1.43  1   CD 1 
HETATM 3455 C C31 . LIG_CD CD 38 .   ? 24.606  19.410  -5.569  1.00 1.39  1   CD 1 
HETATM 3456 C C32 . LIG_CD CD 38 .   ? 24.117  19.461  -6.515  1.00 1.47  1   CD 1 
HETATM 3457 C C33 . LIG_CD CD 38 .   ? 23.761  19.606  -7.521  1.00 1.36  1   CD 1 
HETATM 3458 C C34 . LIG_CD CD 38 .   ? 23.147  19.583  -8.441  1.00 1.39  1   CD 1 
HETATM 3459 C C35 . LIG_CD CD 38 .   ? 22.838  19.790  -9.479  1.00 1.35  1   CD 1 
HETATM 3460 C C36 . LIG_CD CD 38 .   ? 22.190  19.638  -10.404 1.00 1.43  1   CD 1 
HETATM 3461 C C37 . LIG_CD CD 38 .   ? 21.945  19.812  -11.517 1.00 1.49  1   CD 1 
HETATM 3462 C C38 . LIG_CD CD 38 .   ? 21.271  19.488  -12.403 1.00 1.32  1   CD 1 
HETATM 3463 C C39 . LIG_CD CD 38 .   ? 21.009  19.586  -13.583 1.00 1.27  1   CD 1 
HETATM 3464 C C1  . LIG_AE AE 39 .   ? 8.771   16.823  -20.879 1.00 2.00  1   AE 1 
HETATM 3465 C C2  . LIG_AE AE 39 .   ? 8.402   16.145  -21.713 1.00 2.08  1   AE 1 
HETATM 3466 C C3  . LIG_AE AE 39 .   ? 8.229   15.014  -21.919 1.00 1.96  1   AE 1 
HETATM 3467 C C4  . LIG_AE AE 39 .   ? 8.243   13.908  -21.660 1.00 2.17  1   AE 1 
HETATM 3468 C C5  . LIG_AE AE 39 .   ? 8.293   12.830  -21.249 1.00 2.06  1   AE 1 
HETATM 3469 C C6  . LIG_AE AE 39 .   ? 8.387   11.833  -20.652 1.00 1.86  1   AE 1 
HETATM 3470 C C7  . LIG_AE AE 39 .   ? 8.504   10.940  -19.968 1.00 1.89  1   AE 1 
HETATM 3471 C C8  . LIG_AE AE 39 .   ? 8.656   10.138  -19.185 1.00 1.81  1   AE 1 
HETATM 3472 C C9  . LIG_AE AE 39 .   ? 8.830   9.418   -18.362 1.00 1.98  1   AE 1 
HETATM 3473 C C10 . LIG_AE AE 39 .   ? 9.013   8.716   -17.468 1.00 2.13  1   AE 1 
HETATM 3474 C C11 . LIG_AE AE 39 .   ? 9.179   8.083   -16.554 1.00 1.98  1   AE 1 
HETATM 3475 C C12 . LIG_AE AE 39 .   ? 9.335   7.460   -15.602 1.00 2.07  1   AE 1 
HETATM 3476 C C13 . LIG_AE AE 39 .   ? 9.509   6.889   -14.628 1.00 1.66  1   AE 1 
HETATM 3477 C C14 . LIG_AE AE 39 .   ? 9.634   6.274   -13.655 1.00 1.63  1   AE 1 
HETATM 3478 C C15 . LIG_AE AE 39 .   ? 9.830   5.770   -12.667 1.00 1.69  1   AE 1 
HETATM 3479 C C16 . LIG_AE AE 39 .   ? 9.916   5.139   -11.678 1.00 1.73  1   AE 1 
HETATM 3480 C C17 . LIG_AE AE 39 .   ? 10.201  4.835   -10.666 1.00 1.54  1   AE 1 
HETATM 3481 C C18 . LIG_AE AE 39 .   ? 10.058  4.007   -9.679  1.00 1.71  1   AE 1 
HETATM 3482 O O1  . LIG_AE AE 39 .   ? 9.420   3.043   -9.829  1.00 2.71  1   AE 1 
HETATM 3483 O O2  . LIG_AE AE 39 .   ? 10.609  4.304   -8.626  1.00 2.23  1   AE 1 
HETATM 3484 C C19 . LIG_AE AE 39 .   ? 10.366  3.521   -7.596  1.00 1.68  1   AE 1 
HETATM 3485 C C20 . LIG_AE AE 39 .   ? 10.876  4.059   -6.359  1.00 1.54  1   AE 1 
HETATM 3486 C C21 . LIG_AE AE 39 .   ? 10.251  3.405   -5.201  1.00 1.61  1   AE 1 
HETATM 3487 O O3  . LIG_AE AE 39 .   ? 10.812  2.240   -4.940  1.00 1.55  1   AE 1 
HETATM 3488 P P1  . LIG_AE AE 39 .   ? 10.657  1.587   -3.577  1.00 1.49  1   AE 1 
HETATM 3489 O O4  . LIG_AE AE 39 .   ? 11.333  0.331   -3.647  1.00 1.38  1   AE 1 
HETATM 3490 O O5  . LIG_AE AE 39 .   ? 10.979  2.463   -2.528  1.00 1.43  1   AE 1 
HETATM 3491 O O6  . LIG_AE AE 39 .   ? 9.135   1.375   -3.524  1.00 1.55  1   AE 1 
HETATM 3492 C C22 . LIG_AE AE 39 .   ? 8.533   0.309   -3.816  1.00 1.88  1   AE 1 
HETATM 3493 C C23 . LIG_AE AE 39 .   ? 7.257   0.597   -4.251  1.00 1.75  1   AE 1 
HETATM 3494 N N1  . LIG_AE AE 39 .   ? 6.828   -0.041  -5.384  1.00 2.92  1   AE 1 
HETATM 3495 C C24 . LIG_AE AE 39 .   ? 5.493   0.249   -5.555  1.00 1.84  1   AE 1 
HETATM 3496 C C25 . LIG_AE AE 39 .   ? 7.578   0.400   -6.491  1.00 1.92  1   AE 1 
HETATM 3497 C C26 . LIG_AE AE 39 .   ? 6.981   -1.412  -5.209  1.00 1.98  1   AE 1 
HETATM 3498 O O7  . LIG_AE AE 39 .   ? 10.517  5.395   -6.266  1.00 1.73  1   AE 1 
HETATM 3499 C C27 . LIG_AE AE 39 .   ? 11.446  6.200   -5.977  1.00 1.69  1   AE 1 
HETATM 3500 O O8  . LIG_AE AE 39 .   ? 12.453  5.841   -5.458  1.00 1.83  1   AE 1 
HETATM 3501 C C28 . LIG_AE AE 39 .   ? 11.228  7.451   -6.344  1.00 1.62  1   AE 1 
HETATM 3502 C C29 . LIG_AE AE 39 .   ? 11.752  8.264   -6.932  1.00 1.72  1   AE 1 
HETATM 3503 C C30 . LIG_AE AE 39 .   ? 11.947  9.186   -7.595  1.00 1.79  1   AE 1 
HETATM 3504 C C31 . LIG_AE AE 39 .   ? 12.243  9.957   -8.367  1.00 1.63  1   AE 1 
HETATM 3505 C C32 . LIG_AE AE 39 .   ? 12.418  10.727  -9.160  1.00 1.81  1   AE 1 
HETATM 3506 C C33 . LIG_AE AE 39 .   ? 12.548  11.468  -10.005 1.00 1.70  1   AE 1 
HETATM 3507 C C34 . LIG_AE AE 39 .   ? 12.513  12.204  -10.872 1.00 1.71  1   AE 1 
HETATM 3508 C C35 . LIG_AE AE 39 .   ? 12.394  12.939  -11.735 1.00 1.68  1   AE 1 
HETATM 3509 C C36 . LIG_AE AE 39 .   ? 12.168  13.677  -12.589 1.00 1.78  1   AE 1 
HETATM 3510 C C37 . LIG_AE AE 39 .   ? 11.883  14.419  -13.445 1.00 1.77  1   AE 1 
HETATM 3511 C C38 . LIG_AE AE 39 .   ? 11.545  15.167  -14.289 1.00 1.53  1   AE 1 
HETATM 3512 C C39 . LIG_AE AE 39 .   ? 11.178  15.917  -15.158 1.00 1.68  1   AE 1 
HETATM 3513 C C40 . LIG_AE AE 39 .   ? 10.802  16.620  -16.033 1.00 1.73  1   AE 1 
HETATM 3514 C C41 . LIG_AE AE 39 .   ? 10.418  17.279  -16.942 1.00 1.48  1   AE 1 
HETATM 3515 C C42 . LIG_AE AE 39 .   ? 10.088  17.860  -17.820 1.00 1.51  1   AE 1 
HETATM 3516 C C43 . LIG_AE AE 39 .   ? 9.788   18.510  -18.665 1.00 1.34  1   AE 1 
HETATM 3517 C C44 . LIG_AE AE 39 .   ? 9.531   19.336  -19.496 1.00 1.42  1   AE 1 
HETATM 3518 C C1  . LIG_BE BE 40 .   ? -4.779  7.378   -28.523 1.00 2.12  1   BE 1 
HETATM 3519 C C2  . LIG_BE BE 40 .   ? -4.718  6.586   -27.930 1.00 2.16  1   BE 1 
HETATM 3520 C C3  . LIG_BE BE 40 .   ? -4.727  5.874   -27.086 1.00 2.16  1   BE 1 
HETATM 3521 C C4  . LIG_BE BE 40 .   ? -4.755  5.186   -26.228 1.00 2.46  1   BE 1 
HETATM 3522 C C5  . LIG_BE BE 40 .   ? -4.796  4.523   -25.322 1.00 2.21  1   BE 1 
HETATM 3523 C C6  . LIG_BE BE 40 .   ? -4.843  3.877   -24.413 1.00 1.88  1   BE 1 
HETATM 3524 C C7  . LIG_BE BE 40 .   ? -4.905  3.247   -23.511 1.00 2.06  1   BE 1 
HETATM 3525 C C8  . LIG_BE BE 40 .   ? -4.951  2.617   -22.598 1.00 1.98  1   BE 1 
HETATM 3526 C C9  . LIG_BE BE 40 .   ? -4.999  1.997   -21.698 1.00 2.17  1   BE 1 
HETATM 3527 C C10 . LIG_BE BE 40 .   ? -5.043  1.360   -20.746 1.00 2.16  1   BE 1 
HETATM 3528 C C11 . LIG_BE BE 40 .   ? -5.079  0.734   -19.825 1.00 2.12  1   BE 1 
HETATM 3529 C C12 . LIG_BE BE 40 .   ? -5.122  0.110   -18.860 1.00 2.32  1   BE 1 
HETATM 3530 C C13 . LIG_BE BE 40 .   ? -5.135  -0.524  -17.938 1.00 1.74  1   BE 1 
HETATM 3531 C C14 . LIG_BE BE 40 .   ? -5.197  -1.128  -16.971 1.00 1.67  1   BE 1 
HETATM 3532 C C15 . LIG_BE BE 40 .   ? -5.234  -1.759  -16.077 1.00 1.69  1   BE 1 
HETATM 3533 C C16 . LIG_BE BE 40 .   ? -5.377  -2.348  -15.082 1.00 1.79  1   BE 1 
HETATM 3534 C C17 . LIG_BE BE 40 .   ? -5.373  -2.969  -14.237 1.00 1.60  1   BE 1 
HETATM 3535 C C18 . LIG_BE BE 40 .   ? -5.736  -3.469  -13.112 1.00 1.65  1   BE 1 
HETATM 3536 O O1  . LIG_BE BE 40 .   ? -6.383  -4.427  -13.053 1.00 2.57  1   BE 1 
HETATM 3537 O O2  . LIG_BE BE 40 .   ? -5.350  -2.818  -12.138 1.00 2.31  1   BE 1 
HETATM 3538 C C19 . LIG_BE BE 40 .   ? -5.923  -3.079  -10.963 1.00 1.79  1   BE 1 
HETATM 3539 C C20 . LIG_BE BE 40 .   ? -5.787  -1.929  -10.073 1.00 1.76  1   BE 1 
HETATM 3540 C C21 . LIG_BE BE 40 .   ? -6.614  -2.063  -8.853  1.00 1.97  1   BE 1 
HETATM 3541 O O3  . LIG_BE BE 40 .   ? -6.343  -3.167  -8.219  1.00 1.76  1   BE 1 
HETATM 3542 P P1  . LIG_BE BE 40 .   ? -7.029  -3.508  -6.901  1.00 1.77  1   BE 1 
HETATM 3543 O O4  . LIG_BE BE 40 .   ? -6.097  -3.358  -5.855  1.00 1.57  1   BE 1 
HETATM 3544 O O5  . LIG_BE BE 40 .   ? -8.301  -2.890  -6.779  1.00 1.53  1   BE 1 
HETATM 3545 O O6  . LIG_BE BE 40 .   ? -7.256  -5.006  -7.193  1.00 1.67  1   BE 1 
HETATM 3546 C C22 . LIG_BE BE 40 .   ? -6.990  -5.923  -6.366  1.00 2.45  1   BE 1 
HETATM 3547 C C23 . LIG_BE BE 40 .   ? -7.608  -7.080  -6.728  1.00 2.86  1   BE 1 
HETATM 3548 N N1  . LIG_BE BE 40 .   ? -8.364  -6.992  -7.765  1.00 4.10  1   BE 1 
HETATM 3549 O O7  . LIG_BE BE 40 .   ? -6.267  -0.811  -10.703 1.00 1.71  1   BE 1 
HETATM 3550 C C24 . LIG_BE BE 40 .   ? -5.395  0.029   -11.019 1.00 1.57  1   BE 1 
HETATM 3551 O O8  . LIG_BE BE 40 .   ? -4.284  -0.044  -10.587 1.00 1.95  1   BE 1 
HETATM 3552 C C25 . LIG_BE BE 40 .   ? -5.728  0.946   -11.882 1.00 1.62  1   BE 1 
HETATM 3553 C C26 . LIG_BE BE 40 .   ? -5.211  1.564   -12.662 1.00 1.95  1   BE 1 
HETATM 3554 C C27 . LIG_BE BE 40 .   ? -5.094  2.219   -13.575 1.00 1.97  1   BE 1 
HETATM 3555 C C28 . LIG_BE BE 40 .   ? -4.739  2.792   -14.464 1.00 1.75  1   BE 1 
HETATM 3556 C C29 . LIG_BE BE 40 .   ? -4.509  3.374   -15.405 1.00 1.86  1   BE 1 
HETATM 3557 C C30 . LIG_BE BE 40 .   ? -4.245  3.899   -16.354 1.00 1.89  1   BE 1 
HETATM 3558 C C31 . LIG_BE BE 40 .   ? -4.029  4.414   -17.316 1.00 1.87  1   BE 1 
HETATM 3559 C C32 . LIG_BE BE 40 .   ? -3.866  4.898   -18.284 1.00 2.08  1   BE 1 
HETATM 3560 C C33 . LIG_BE BE 40 .   ? -3.785  5.388   -19.265 1.00 1.90  1   BE 1 
HETATM 3561 C C34 . LIG_BE BE 40 .   ? -3.745  5.900   -20.253 1.00 1.88  1   BE 1 
HETATM 3562 C C35 . LIG_BE BE 40 .   ? -3.766  6.444   -21.230 1.00 1.88  1   BE 1 
HETATM 3563 C C36 . LIG_BE BE 40 .   ? -3.811  6.998   -22.206 1.00 2.06  1   BE 1 
HETATM 3564 C C37 . LIG_BE BE 40 .   ? -3.906  7.545   -23.189 1.00 2.00  1   BE 1 
HETATM 3565 C C38 . LIG_BE BE 40 .   ? -4.058  8.059   -24.187 1.00 1.61  1   BE 1 
HETATM 3566 C C39 . LIG_BE BE 40 .   ? -4.239  8.529   -25.204 1.00 1.66  1   BE 1 
HETATM 3567 C C40 . LIG_BE BE 40 .   ? -4.449  8.915   -26.216 1.00 1.61  1   BE 1 
HETATM 3568 C C41 . LIG_BE BE 40 .   ? -4.704  9.281   -27.254 1.00 1.47  1   BE 1 
HETATM 3569 C C1  . LIG_CE CE 41 .   ? 14.076  35.681  -8.120  1.00 1.21  1   CE 1 
HETATM 3570 C C2  . LIG_CE CE 41 .   ? 13.583  34.742  -7.469  1.00 1.21  1   CE 1 
HETATM 3571 C C3  . LIG_CE CE 41 .   ? 12.637  34.401  -6.879  1.00 1.23  1   CE 1 
HETATM 3572 C C4  . LIG_CE CE 41 .   ? 12.157  33.486  -6.296  1.00 1.23  1   CE 1 
HETATM 3573 C C5  . LIG_CE CE 41 .   ? 11.357  32.945  -5.712  1.00 1.30  1   CE 1 
HETATM 3574 C C6  . LIG_CE CE 41 .   ? 10.923  32.047  -5.155  1.00 1.24  1   CE 1 
HETATM 3575 C C7  . LIG_CE CE 41 .   ? 10.312  31.385  -4.547  1.00 1.25  1   CE 1 
HETATM 3576 C C8  . LIG_CE CE 41 .   ? 9.903   30.608  -3.897  1.00 1.29  1   CE 1 
HETATM 3577 C C9  . LIG_CE CE 41 .   ? 9.456   29.972  -3.168  1.00 1.31  1   CE 1 
HETATM 3578 C C10 . LIG_CE CE 41 .   ? 9.057   29.320  -2.410  1.00 1.38  1   CE 1 
HETATM 3579 C C11 . LIG_CE CE 41 .   ? 8.730   28.803  -1.544  1.00 1.37  1   CE 1 
HETATM 3580 C C12 . LIG_CE CE 41 .   ? 8.465   28.092  -0.736  1.00 1.50  1   CE 1 
HETATM 3581 C C13 . LIG_CE CE 41 .   ? 8.376   27.731  0.293   1.00 1.35  1   CE 1 
HETATM 3582 C C14 . LIG_CE CE 41 .   ? 8.220   26.916  1.071   1.00 1.38  1   CE 1 
HETATM 3583 C C15 . LIG_CE CE 41 .   ? 8.412   26.702  2.196   1.00 1.34  1   CE 1 
HETATM 3584 C C16 . LIG_CE CE 41 .   ? 8.445   25.656  2.852   1.00 1.35  1   CE 1 
HETATM 3585 C C17 . LIG_CE CE 41 .   ? 8.892   25.556  3.980   1.00 1.22  1   CE 1 
HETATM 3586 C C18 . LIG_CE CE 41 .   ? 8.960   24.407  4.631   1.00 1.26  1   CE 1 
HETATM 3587 O O1  . LIG_CE CE 41 .   ? 8.625   23.372  4.169   1.00 1.53  1   CE 1 
HETATM 3588 O O2  . LIG_CE CE 41 .   ? 9.407   24.538  5.728   1.00 1.46  1   CE 1 
HETATM 3589 C C19 . LIG_CE CE 41 .   ? 9.394   23.479  6.461   1.00 1.19  1   CE 1 
HETATM 3590 C C20 . LIG_CE CE 41 .   ? 9.824   23.783  7.803   1.00 1.17  1   CE 1 
HETATM 3591 C C21 . LIG_CE CE 41 .   ? 9.132   22.804  8.647   1.00 1.17  1   CE 1 
HETATM 3592 O O3  . LIG_CE CE 41 .   ? 9.846   22.454  9.706   1.00 1.20  1   CE 1 
HETATM 3593 P P1  . LIG_CE CE 41 .   ? 9.370   21.276  10.609  1.00 1.17  1   CE 1 
HETATM 3594 O O4  . LIG_CE CE 41 .   ? 7.932   21.303  10.556  1.00 1.17  1   CE 1 
HETATM 3595 O O5  . LIG_CE CE 41 .   ? 9.918   21.579  11.902  1.00 1.21  1   CE 1 
HETATM 3596 O O6  . LIG_CE CE 41 .   ? 9.927   20.089  10.018  1.00 1.25  1   CE 1 
HETATM 3597 O O7  . LIG_CE CE 41 .   ? 9.383   25.053  8.164   1.00 1.27  1   CE 1 
HETATM 3598 C C22 . LIG_CE CE 41 .   ? 10.277  25.903  8.461   1.00 1.25  1   CE 1 
HETATM 3599 O O8  . LIG_CE CE 41 .   ? 11.389  25.567  8.690   1.00 1.33  1   CE 1 
HETATM 3600 C C23 . LIG_CE CE 41 .   ? 9.837   27.233  8.502   1.00 1.22  1   CE 1 
HETATM 3601 C C24 . LIG_CE CE 41 .   ? 10.540  28.079  7.741   1.00 1.33  1   CE 1 
HETATM 3602 C C25 . LIG_CE CE 41 .   ? 10.969  27.736  6.567   1.00 1.38  1   CE 1 
HETATM 3603 C C26 . LIG_CE CE 41 .   ? 11.457  28.460  5.680   1.00 1.40  1   CE 1 
HETATM 3604 C C27 . LIG_CE CE 41 .   ? 11.882  28.202  4.560   1.00 1.37  1   CE 1 
HETATM 3605 C C28 . LIG_CE CE 41 .   ? 12.168  28.580  3.548   1.00 1.26  1   CE 1 
HETATM 3606 C C29 . LIG_CE CE 41 .   ? 12.469  28.443  2.475   1.00 1.30  1   CE 1 
HETATM 3607 C C30 . LIG_CE CE 41 .   ? 12.719  28.501  1.430   1.00 1.32  1   CE 1 
HETATM 3608 C C31 . LIG_CE CE 41 .   ? 12.910  28.437  0.366   1.00 1.34  1   CE 1 
HETATM 3609 C C32 . LIG_CE CE 41 .   ? 13.046  28.443  -0.707  1.00 1.37  1   CE 1 
HETATM 3610 C C33 . LIG_CE CE 41 .   ? 13.122  28.393  -1.788  1.00 1.31  1   CE 1 
HETATM 3611 C C34 . LIG_CE CE 41 .   ? 13.182  28.384  -2.860  1.00 1.30  1   CE 1 
HETATM 3612 C C35 . LIG_CE CE 41 .   ? 13.182  28.401  -3.947  1.00 1.31  1   CE 1 
HETATM 3613 C C36 . LIG_CE CE 41 .   ? 13.179  28.512  -5.019  1.00 1.33  1   CE 1 
HETATM 3614 C C37 . LIG_CE CE 41 .   ? 13.315  28.822  -6.087  1.00 1.34  1   CE 1 
HETATM 3615 C C38 . LIG_CE CE 41 .   ? 13.600  29.318  -6.989  1.00 1.25  1   CE 1 
HETATM 3616 C C39 . LIG_CE CE 41 .   ? 13.968  29.775  -8.033  1.00 1.26  1   CE 1 
HETATM 3617 C C1  . LIG_AF AF 42 .   ? -8.452  5.887   -26.110 1.00 2.42  1   AF 1 
HETATM 3618 C C2  . LIG_AF AF 42 .   ? -8.277  6.668   -25.501 1.00 2.30  1   AF 1 
HETATM 3619 C C3  . LIG_AF AF 42 .   ? -8.147  6.734   -24.395 1.00 2.05  1   AF 1 
HETATM 3620 C C4  . LIG_AF AF 42 .   ? -8.123  6.312   -23.385 1.00 2.40  1   AF 1 
HETATM 3621 C C5  . LIG_AF AF 42 .   ? -8.095  5.859   -22.378 1.00 2.08  1   AF 1 
HETATM 3622 C C6  . LIG_AF AF 42 .   ? -8.126  5.247   -21.440 1.00 1.87  1   AF 1 
HETATM 3623 C C7  . LIG_AF AF 42 .   ? -8.196  4.584   -20.566 1.00 1.94  1   AF 1 
HETATM 3624 C C8  . LIG_AF AF 42 .   ? -8.302  3.830   -19.763 1.00 1.85  1   AF 1 
HETATM 3625 C C9  . LIG_AF AF 42 .   ? -8.440  3.045   -19.025 1.00 2.04  1   AF 1 
HETATM 3626 C C10 . LIG_AF AF 42 .   ? -8.613  2.198   -18.288 1.00 2.14  1   AF 1 
HETATM 3627 C C11 . LIG_AF AF 42 .   ? -8.813  1.344   -17.610 1.00 2.07  1   AF 1 
HETATM 3628 C C12 . LIG_AF AF 42 .   ? -9.034  0.460   -16.933 1.00 2.17  1   AF 1 
HETATM 3629 C C13 . LIG_AF AF 42 .   ? -9.293  -0.445  -16.315 1.00 1.66  1   AF 1 
HETATM 3630 C C14 . LIG_AF AF 42 .   ? -9.496  -1.367  -15.668 1.00 1.63  1   AF 1 
HETATM 3631 C C15 . LIG_AF AF 42 .   ? -9.746  -2.262  -15.084 1.00 1.60  1   AF 1 
HETATM 3632 C C16 . LIG_AF AF 42 .   ? -9.891  -3.153  -14.353 1.00 1.63  1   AF 1 
HETATM 3633 C C17 . LIG_AF AF 42 .   ? -10.110 -4.025  -13.795 1.00 1.43  1   AF 1 
HETATM 3634 C C18 . LIG_AF AF 42 .   ? -9.974  -4.861  -12.824 1.00 1.56  1   AF 1 
HETATM 3635 O O1  . LIG_AF AF 42 .   ? -10.224 -4.554  -11.728 1.00 2.27  1   AF 1 
HETATM 3636 O O2  . LIG_AF AF 42 .   ? -9.517  -5.940  -13.137 1.00 2.36  1   AF 1 
HETATM 3637 C C19 . LIG_AF AF 42 .   ? -9.149  -6.733  -12.162 1.00 1.65  1   AF 1 
HETATM 3638 C C20 . LIG_AF AF 42 .   ? -8.526  -7.957  -12.636 1.00 1.75  1   AF 1 
HETATM 3639 C C21 . LIG_AF AF 42 .   ? -7.669  -8.509  -11.568 1.00 2.09  1   AF 1 
HETATM 3640 O O3  . LIG_AF AF 42 .   ? -8.317  -9.377  -10.846 1.00 1.95  1   AF 1 
HETATM 3641 P P1  . LIG_AF AF 42 .   ? -7.584  -10.189 -9.776  1.00 2.08  1   AF 1 
HETATM 3642 O O4  . LIG_AF AF 42 .   ? -6.982  -9.310  -8.864  1.00 1.81  1   AF 1 
HETATM 3643 O O5  . LIG_AF AF 42 .   ? -6.803  -11.197 -10.382 1.00 1.94  1   AF 1 
HETATM 3644 O O6  . LIG_AF AF 42 .   ? -8.804  -10.883 -9.154  1.00 2.14  1   AF 1 
HETATM 3645 C C22 . LIG_AF AF 42 .   ? -9.768  -10.309 -8.587  1.00 2.85  1   AF 1 
HETATM 3646 C C23 . LIG_AF AF 42 .   ? -10.958 -10.726 -9.143  1.00 2.39  1   AF 1 
HETATM 3647 N N1  . LIG_AF AF 42 .   ? -11.652 -11.749 -8.562  1.00 4.15  1   AF 1 
HETATM 3648 C C24 . LIG_AF AF 42 .   ? -10.903 -12.939 -8.518  1.00 3.23  1   AF 1 
HETATM 3649 C C25 . LIG_AF AF 42 .   ? -12.020 -11.384 -7.263  1.00 3.34  1   AF 1 
HETATM 3650 C C26 . LIG_AF AF 42 .   ? -12.765 -11.981 -9.353  1.00 3.20  1   AF 1 
HETATM 3651 O O7  . LIG_AF AF 42 .   ? -7.668  -7.689  -13.684 1.00 2.00  1   AF 1 
HETATM 3652 C C27 . LIG_AF AF 42 .   ? -7.925  -8.283  -14.763 1.00 1.79  1   AF 1 
HETATM 3653 O O8  . LIG_AF AF 42 .   ? -8.782  -9.090  -14.851 1.00 1.84  1   AF 1 
HETATM 3654 C C28 . LIG_AF AF 42 .   ? -7.228  -7.856  -15.772 1.00 1.70  1   AF 1 
HETATM 3655 C C29 . LIG_AF AF 42 .   ? -7.410  -7.136  -16.632 1.00 1.84  1   AF 1 
HETATM 3656 C C30 . LIG_AF AF 42 .   ? -7.407  -6.419  -17.483 1.00 1.93  1   AF 1 
HETATM 3657 C C31 . LIG_AF AF 42 .   ? -7.520  -5.640  -18.295 1.00 1.78  1   AF 1 
HETATM 3658 C C32 . LIG_AF AF 42 .   ? -7.571  -4.866  -19.086 1.00 2.15  1   AF 1 
HETATM 3659 C C33 . LIG_AF AF 42 .   ? -7.651  -4.071  -19.884 1.00 1.87  1   AF 1 
HETATM 3660 C C34 . LIG_AF AF 42 .   ? -7.697  -3.276  -20.689 1.00 1.91  1   AF 1 
HETATM 3661 C C35 . LIG_AF AF 42 .   ? -7.752  -2.471  -21.492 1.00 1.84  1   AF 1 
HETATM 3662 C C36 . LIG_AF AF 42 .   ? -7.791  -1.667  -22.305 1.00 2.03  1   AF 1 
HETATM 3663 C C37 . LIG_AF AF 42 .   ? -7.838  -0.852  -23.113 1.00 2.00  1   AF 1 
HETATM 3664 C C38 . LIG_AF AF 42 .   ? -7.900  -0.017  -23.910 1.00 1.70  1   AF 1 
HETATM 3665 C C39 . LIG_AF AF 42 .   ? -7.980  0.838   -24.696 1.00 1.86  1   AF 1 
HETATM 3666 C C40 . LIG_AF AF 42 .   ? -8.090  1.703   -25.449 1.00 1.98  1   AF 1 
HETATM 3667 C C41 . LIG_AF AF 42 .   ? -8.245  2.575   -26.160 1.00 1.64  1   AF 1 
HETATM 3668 C C42 . LIG_AF AF 42 .   ? -8.418  3.412   -26.835 1.00 1.62  1   AF 1 
HETATM 3669 C C43 . LIG_AF AF 42 .   ? -8.619  4.221   -27.532 1.00 1.41  1   AF 1 
HETATM 3670 C C44 . LIG_AF AF 42 .   ? -8.885  5.002   -28.389 1.00 1.48  1   AF 1 
HETATM 3671 C C1  . LIG_BF BF 43 .   ? -11.518 4.858   -31.704 1.00 1.33  1   BF 1 
HETATM 3672 C C2  . LIG_BF BF 43 .   ? -12.097 3.764   -31.456 1.00 1.37  1   BF 1 
HETATM 3673 C C3  . LIG_BF BF 43 .   ? -12.187 3.044   -30.549 1.00 1.40  1   BF 1 
HETATM 3674 C C4  . LIG_BF BF 43 .   ? -12.606 2.077   -30.070 1.00 1.39  1   BF 1 
HETATM 3675 C C5  . LIG_BF BF 43 .   ? -12.668 1.408   -29.152 1.00 1.42  1   BF 1 
HETATM 3676 C C6  . LIG_BF BF 43 .   ? -12.663 0.838   -28.247 1.00 1.36  1   BF 1 
HETATM 3677 C C7  . LIG_BF BF 43 .   ? -12.581 0.374   -27.262 1.00 1.29  1   BF 1 
HETATM 3678 C C8  . LIG_BF BF 43 .   ? -12.532 -0.163  -26.330 1.00 1.36  1   BF 1 
HETATM 3679 C C9  . LIG_BF BF 43 .   ? -12.478 -0.628  -25.361 1.00 1.32  1   BF 1 
HETATM 3680 C C10 . LIG_BF BF 43 .   ? -12.435 -1.216  -24.418 1.00 1.39  1   BF 1 
HETATM 3681 C C11 . LIG_BF BF 43 .   ? -12.388 -1.700  -23.441 1.00 1.43  1   BF 1 
HETATM 3682 C C12 . LIG_BF BF 43 .   ? -12.350 -2.425  -22.558 1.00 1.63  1   BF 1 
HETATM 3683 C C13 . LIG_BF BF 43 .   ? -12.321 -2.817  -21.483 1.00 1.40  1   BF 1 
HETATM 3684 C C14 . LIG_BF BF 43 .   ? -12.288 -3.779  -20.747 1.00 1.42  1   BF 1 
HETATM 3685 C C15 . LIG_BF BF 43 .   ? -12.215 -4.022  -19.571 1.00 1.40  1   BF 1 
HETATM 3686 C C16 . LIG_BF BF 43 .   ? -12.102 -5.070  -18.885 1.00 1.46  1   BF 1 
HETATM 3687 C C17 . LIG_BF BF 43 .   ? -12.092 -5.176  -17.622 1.00 1.28  1   BF 1 
HETATM 3688 C C18 . LIG_BF BF 43 .   ? -11.939 -6.403  -17.049 1.00 1.32  1   BF 1 
HETATM 3689 O O1  . LIG_BF BF 43 .   ? -10.937 -7.008  -17.132 1.00 1.64  1   BF 1 
HETATM 3690 O O2  . LIG_BF BF 43 .   ? -12.904 -6.771  -16.431 1.00 1.54  1   BF 1 
HETATM 3691 C C19 . LIG_BF BF 43 .   ? -12.793 -7.934  -15.802 1.00 1.27  1   BF 1 
HETATM 3692 C C20 . LIG_BF BF 43 .   ? -14.157 -8.427  -15.526 1.00 1.28  1   BF 1 
HETATM 3693 C C21 . LIG_BF BF 43 .   ? -14.148 -9.324  -14.343 1.00 1.34  1   BF 1 
HETATM 3694 O O3  . LIG_BF BF 43 .   ? -13.699 -10.561 -14.673 1.00 1.35  1   BF 1 
HETATM 3695 P P1  . LIG_BF BF 43 .   ? -13.457 -11.642 -13.592 1.00 1.51  1   BF 1 
HETATM 3696 O O4  . LIG_BF BF 43 .   ? -14.236 -11.349 -12.408 1.00 1.23  1   BF 1 
HETATM 3697 O O5  . LIG_BF BF 43 .   ? -13.593 -12.914 -14.191 1.00 1.24  1   BF 1 
HETATM 3698 O O6  . LIG_BF BF 43 .   ? -11.964 -11.386 -13.263 1.00 1.32  1   BF 1 
HETATM 3699 C C22 . LIG_BF BF 43 .   ? -11.054 -11.906 -13.995 1.00 1.42  1   BF 1 
HETATM 3700 C C23 . LIG_BF BF 43 .   ? -9.803  -11.694 -13.470 1.00 1.46  1   BF 1 
HETATM 3701 N N1  . LIG_BF BF 43 .   ? -9.646  -11.901 -12.204 1.00 2.33  1   BF 1 
HETATM 3702 O O7  . LIG_BF BF 43 .   ? -14.585 -9.124  -16.629 1.00 1.33  1   BF 1 
HETATM 3703 C C24 . LIG_BF BF 43 .   ? -15.673 -8.731  -17.134 1.00 1.33  1   BF 1 
HETATM 3704 O O8  . LIG_BF BF 43 .   ? -16.417 -8.014  -16.538 1.00 1.39  1   BF 1 
HETATM 3705 C C25 . LIG_BF BF 43 .   ? -15.911 -9.136  -18.437 1.00 1.31  1   BF 1 
HETATM 3706 C C26 . LIG_BF BF 43 .   ? -15.839 -8.115  -19.312 1.00 1.62  1   BF 1 
HETATM 3707 C C27 . LIG_BF BF 43 .   ? -15.870 -8.173  -20.551 1.00 1.70  1   BF 1 
HETATM 3708 C C28 . LIG_BF BF 43 .   ? -15.648 -7.413  -21.459 1.00 1.42  1   BF 1 
HETATM 3709 C C29 . LIG_BF BF 43 .   ? -15.436 -7.081  -22.523 1.00 1.39  1   BF 1 
HETATM 3710 C C30 . LIG_BF BF 43 .   ? -15.097 -6.445  -23.429 1.00 1.41  1   BF 1 
HETATM 3711 C C31 . LIG_BF BF 43 .   ? -14.715 -6.020  -24.416 1.00 1.35  1   BF 1 
HETATM 3712 C C32 . LIG_BF BF 43 .   ? -14.278 -5.521  -25.310 1.00 1.43  1   BF 1 
HETATM 3713 C C33 . LIG_BF BF 43 .   ? -13.835 -5.072  -26.220 1.00 1.37  1   BF 1 
HETATM 3714 C C34 . LIG_BF BF 43 .   ? -13.375 -4.639  -27.139 1.00 1.35  1   BF 1 
HETATM 3715 C C35 . LIG_BF BF 43 .   ? -12.946 -4.151  -28.038 1.00 1.33  1   BF 1 
HETATM 3716 C C36 . LIG_BF BF 43 .   ? -12.483 -3.739  -28.963 1.00 1.41  1   BF 1 
HETATM 3717 C C37 . LIG_BF BF 43 .   ? -12.063 -3.161  -29.843 1.00 1.42  1   BF 1 
HETATM 3718 C C38 . LIG_BF BF 43 .   ? -11.587 -2.814  -30.787 1.00 1.38  1   BF 1 
HETATM 3719 C C39 . LIG_BF BF 43 .   ? -11.215 -2.096  -31.631 1.00 1.34  1   BF 1 
HETATM 3720 C C40 . LIG_BF BF 43 .   ? -10.772 -1.689  -32.566 1.00 1.27  1   BF 1 
HETATM 3721 C C41 . LIG_BF BF 43 .   ? -10.445 -0.806  -33.360 1.00 1.25  1   BF 1 
HETATM 3722 C C1  . LIG_CF CF 44 .   ? -14.145 13.310  -24.106 1.00 1.31  1   CF 1 
HETATM 3723 C C2  . LIG_CF CF 44 .   ? -14.336 12.336  -23.351 1.00 1.29  1   CF 1 
HETATM 3724 C C3  . LIG_CF CF 44 .   ? -14.082 11.934  -22.284 1.00 1.32  1   CF 1 
HETATM 3725 C C4  . LIG_CF CF 44 .   ? -14.250 11.011  -21.565 1.00 1.33  1   CF 1 
HETATM 3726 C C5  . LIG_CF CF 44 .   ? -14.082 10.532  -20.529 1.00 1.35  1   CF 1 
HETATM 3727 C C6  . LIG_CF CF 44 .   ? -14.408 9.597   -19.903 1.00 1.26  1   CF 1 
HETATM 3728 C C7  . LIG_CF CF 44 .   ? -14.480 9.042   -18.960 1.00 1.29  1   CF 1 
HETATM 3729 C C8  . LIG_CF CF 44 .   ? -14.828 8.232   -18.314 1.00 1.31  1   CF 1 
HETATM 3730 C C9  . LIG_CF CF 44 .   ? -15.065 7.628   -17.485 1.00 1.34  1   CF 1 
HETATM 3731 C C10 . LIG_CF CF 44 .   ? -15.297 6.901   -16.706 1.00 1.41  1   CF 1 
HETATM 3732 C C11 . LIG_CF CF 44 .   ? -15.529 6.327   -15.843 1.00 1.37  1   CF 1 
HETATM 3733 C C12 . LIG_CF CF 44 .   ? -15.655 5.472   -15.118 1.00 1.51  1   CF 1 
HETATM 3734 C C13 . LIG_CF CF 44 .   ? -15.984 4.959   -14.167 1.00 1.37  1   CF 1 
HETATM 3735 C C14 . LIG_CF CF 44 .   ? -15.929 4.009   -13.479 1.00 1.44  1   CF 1 
HETATM 3736 C C15 . LIG_CF CF 44 .   ? -16.270 3.639   -12.411 1.00 1.44  1   CF 1 
HETATM 3737 C C16 . LIG_CF CF 44 .   ? -15.991 2.626   -11.748 1.00 1.50  1   CF 1 
HETATM 3738 C C17 . LIG_CF CF 44 .   ? -16.434 2.336   -10.595 1.00 1.34  1   CF 1 
HETATM 3739 C C18 . LIG_CF CF 44 .   ? -15.915 1.239   -9.999  1.00 1.39  1   CF 1 
HETATM 3740 O O1  . LIG_CF CF 44 .   ? -14.819 0.867   -10.238 1.00 1.65  1   CF 1 
HETATM 3741 O O2  . LIG_CF CF 44 .   ? -16.638 0.688   -9.206  1.00 1.54  1   CF 1 
HETATM 3742 C C19 . LIG_CF CF 44 .   ? -16.113 -0.352  -8.559  1.00 1.29  1   CF 1 
HETATM 3743 C C20 . LIG_CF CF 44 .   ? -17.108 -1.450  -8.473  1.00 1.27  1   CF 1 
HETATM 3744 C C21 . LIG_CF CF 44 .   ? -16.638 -2.417  -7.461  1.00 1.40  1   CF 1 
HETATM 3745 O O3  . LIG_CF CF 44 .   ? -17.413 -2.357  -6.364  1.00 1.52  1   CF 1 
HETATM 3746 P P1  . LIG_CF CF 44 .   ? -17.145 -3.232  -5.105  1.00 1.52  1   CF 1 
HETATM 3747 O O4  . LIG_CF CF 44 .   ? -16.293 -2.417  -4.265  1.00 1.67  1   CF 1 
HETATM 3748 O O5  . LIG_CF CF 44 .   ? -16.553 -4.458  -5.559  1.00 1.78  1   CF 1 
HETATM 3749 O O6  . LIG_CF CF 44 .   ? -18.454 -3.415  -4.525  1.00 1.72  1   CF 1 
HETATM 3750 O O7  . LIG_CF CF 44 .   ? -17.162 -2.095  -9.696  1.00 1.38  1   CF 1 
HETATM 3751 C C22 . LIG_CF CF 44 .   ? -18.310 -2.313  -10.175 1.00 1.36  1   CF 1 
HETATM 3752 O O8  . LIG_CF CF 44 .   ? -19.282 -2.242  -9.508  1.00 1.40  1   CF 1 
HETATM 3753 C C23 . LIG_CF CF 44 .   ? -18.321 -2.556  -11.522 1.00 1.27  1   CF 1 
HETATM 3754 C C24 . LIG_CF CF 44 .   ? -18.794 -1.514  -12.196 1.00 1.46  1   CF 1 
HETATM 3755 C C25 . LIG_CF CF 44 .   ? -18.520 -1.320  -13.403 1.00 1.51  1   CF 1 
HETATM 3756 C C26 . LIG_CF CF 44 .   ? -18.721 -0.241  -14.012 1.00 1.56  1   CF 1 
HETATM 3757 C C27 . LIG_CF CF 44 .   ? -18.292 0.105   -15.070 1.00 1.51  1   CF 1 
HETATM 3758 C C28 . LIG_CF CF 44 .   ? -18.267 1.069   -15.719 1.00 1.38  1   CF 1 
HETATM 3759 C C29 . LIG_CF CF 44 .   ? -17.827 1.621   -16.584 1.00 1.42  1   CF 1 
HETATM 3760 C C30 . LIG_CF CF 44 .   ? -17.566 2.369   -17.297 1.00 1.40  1   CF 1 
HETATM 3761 C C31 . LIG_CF CF 44 .   ? -17.224 2.969   -18.141 1.00 1.34  1   CF 1 
HETATM 3762 C C32 . LIG_CF CF 44 .   ? -17.046 3.634   -18.932 1.00 1.44  1   CF 1 
HETATM 3763 C C33 . LIG_CF CF 44 .   ? -16.863 4.187   -19.830 1.00 1.38  1   CF 1 
HETATM 3764 C C34 . LIG_CF CF 44 .   ? -16.800 4.848   -20.681 1.00 1.37  1   CF 1 
HETATM 3765 C C35 . LIG_CF CF 44 .   ? -16.660 5.394   -21.622 1.00 1.35  1   CF 1 
HETATM 3766 C C36 . LIG_CF CF 44 .   ? -16.812 6.185   -22.392 1.00 1.36  1   CF 1 
HETATM 3767 C C37 . LIG_CF CF 44 .   ? -16.712 6.740   -23.407 1.00 1.32  1   CF 1 
HETATM 3768 C C38 . LIG_CF CF 44 .   ? -17.348 7.582   -23.975 1.00 1.29  1   CF 1 
HETATM 3769 C C39 . LIG_CF CF 44 .   ? -18.535 7.632   -24.410 1.00 1.30  1   CF 1 
HETATM 3770 C C1  . LIG_BG BG 45 .   ? -8.226  21.422  -21.936 1.00 1.26  1   BG 1 
HETATM 3771 C C2  . LIG_BG BG 45 .   ? -9.028  21.813  -21.076 1.00 1.28  1   BG 1 
HETATM 3772 C C3  . LIG_BG BG 45 .   ? -9.414  21.488  -20.006 1.00 1.25  1   BG 1 
HETATM 3773 C C4  . LIG_BG BG 45 .   ? -10.174 21.769  -19.140 1.00 1.27  1   BG 1 
HETATM 3774 C C5  . LIG_BG BG 45 .   ? -10.567 21.515  -18.075 1.00 1.28  1   BG 1 
HETATM 3775 C C6  . LIG_BG BG 45 .   ? -11.254 21.826  -17.177 1.00 1.21  1   BG 1 
HETATM 3776 C C7  . LIG_BG BG 45 .   ? -11.494 21.589  -16.082 1.00 1.22  1   BG 1 
HETATM 3777 C C8  . LIG_BG BG 45 .   ? -11.931 21.750  -15.100 1.00 1.24  1   BG 1 
HETATM 3778 C C9  . LIG_BG BG 45 .   ? -12.143 21.524  -14.047 1.00 1.24  1   BG 1 
HETATM 3779 C C10 . LIG_BG BG 45 .   ? -12.281 21.271  -12.997 1.00 1.29  1   BG 1 
HETATM 3780 C C11 . LIG_BG BG 45 .   ? -12.484 20.947  -11.976 1.00 1.26  1   BG 1 
HETATM 3781 C C12 . LIG_BG BG 45 .   ? -12.399 20.571  -10.886 1.00 1.36  1   BG 1 
HETATM 3782 C C13 . LIG_BG BG 45 .   ? -12.752 20.193  -9.886  1.00 1.31  1   BG 1 
HETATM 3783 C C14 . LIG_BG BG 45 .   ? -12.572 19.762  -8.799  1.00 1.30  1   BG 1 
HETATM 3784 C C15 . LIG_BG BG 45 .   ? -13.152 19.428  -7.827  1.00 1.29  1   BG 1 
HETATM 3785 C C16 . LIG_BG BG 45 .   ? -12.876 19.021  -6.670  1.00 1.34  1   BG 1 
HETATM 3786 C C17 . LIG_BG BG 45 .   ? -13.707 18.837  -5.732  1.00 1.21  1   BG 1 
HETATM 3787 C C18 . LIG_BG BG 45 .   ? -13.388 18.434  -4.505  1.00 1.23  1   BG 1 
HETATM 3788 O O1  . LIG_BG BG 45 .   ? -13.573 19.120  -3.564  1.00 1.44  1   BG 1 
HETATM 3789 O O2  . LIG_BG BG 45 .   ? -12.895 17.310  -4.422  1.00 1.37  1   BG 1 
HETATM 3790 C C19 . LIG_BG BG 45 .   ? -12.568 16.864  -3.212  1.00 1.18  1   BG 1 
HETATM 3791 C C20 . LIG_BG BG 45 .   ? -11.726 15.679  -3.346  1.00 1.22  1   BG 1 
HETATM 3792 C C21 . LIG_BG BG 45 .   ? -11.428 15.101  -2.016  1.00 1.18  1   BG 1 
HETATM 3793 O O3  . LIG_BG BG 45 .   ? -12.287 14.091  -1.749  1.00 1.22  1   BG 1 
HETATM 3794 P P1  . LIG_BG BG 45 .   ? -12.222 13.302  -0.445  1.00 1.16  1   BG 1 
HETATM 3795 O O4  . LIG_BG BG 45 .   ? -13.259 12.322  -0.495  1.00 1.13  1   BG 1 
HETATM 3796 O O5  . LIG_BG BG 45 .   ? -10.886 12.863  -0.187  1.00 1.15  1   BG 1 
HETATM 3797 O O6  . LIG_BG BG 45 .   ? -12.567 14.395  0.594   1.00 1.16  1   BG 1 
HETATM 3798 C C22 . LIG_BG BG 45 .   ? -13.719 14.520  1.097   1.00 1.16  1   BG 1 
HETATM 3799 C C23 . LIG_BG BG 45 .   ? -13.806 15.600  1.965   1.00 1.15  1   BG 1 
HETATM 3800 N N1  . LIG_BG BG 45 .   ? -14.980 15.988  2.272   1.00 1.28  1   BG 1 
HETATM 3801 O O7  . LIG_BG BG 45 .   ? -10.513 16.057  -3.911  1.00 1.24  1   BG 1 
HETATM 3802 C C24 . LIG_BG BG 45 .   ? -10.267 15.609  -5.055  1.00 1.22  1   BG 1 
HETATM 3803 O O8  . LIG_BG BG 45 .   ? -10.858 14.683  -5.493  1.00 1.30  1   BG 1 
HETATM 3804 C C25 . LIG_BG BG 45 .   ? -9.296  16.312  -5.720  1.00 1.22  1   BG 1 
HETATM 3805 C C26 . LIG_BG BG 45 .   ? -9.499  16.496  -6.989  1.00 1.37  1   BG 1 
HETATM 3806 C C27 . LIG_BG BG 45 .   ? -8.880  17.328  -7.680  1.00 1.34  1   BG 1 
HETATM 3807 C C28 . LIG_BG BG 45 .   ? -8.961  17.631  -8.834  1.00 1.25  1   BG 1 
HETATM 3808 C C29 . LIG_BG BG 45 .   ? -8.607  18.321  -9.657  1.00 1.24  1   BG 1 
HETATM 3809 C C30 . LIG_BG BG 45 .   ? -8.535  18.830  -10.640 1.00 1.26  1   BG 1 
HETATM 3810 C C31 . LIG_BG BG 45 .   ? -8.405  19.496  -11.495 1.00 1.24  1   BG 1 
HETATM 3811 C C32 . LIG_BG BG 45 .   ? -8.389  20.057  -12.406 1.00 1.28  1   BG 1 
HETATM 3812 C C33 . LIG_BG BG 45 .   ? -8.366  20.690  -13.271 1.00 1.26  1   BG 1 
HETATM 3813 C C34 . LIG_BG BG 45 .   ? -8.253  21.256  -14.198 1.00 1.25  1   BG 1 
HETATM 3814 C C35 . LIG_BG BG 45 .   ? -8.259  21.863  -15.095 1.00 1.27  1   BG 1 
HETATM 3815 C C36 . LIG_BG BG 45 .   ? -7.948  22.390  -16.007 1.00 1.30  1   BG 1 
HETATM 3816 C C37 . LIG_BG BG 45 .   ? -7.953  22.979  -16.949 1.00 1.29  1   BG 1 
HETATM 3817 C C38 . LIG_BG BG 45 .   ? -7.489  23.517  -17.835 1.00 1.24  1   BG 1 
HETATM 3818 C C39 . LIG_BG BG 45 .   ? -7.538  24.141  -18.824 1.00 1.20  1   BG 1 
HETATM 3819 C C40 . LIG_BG BG 45 .   ? -7.000  24.673  -19.684 1.00 1.17  1   BG 1 
HETATM 3820 C C41 . LIG_BG BG 45 .   ? -7.157  25.336  -20.727 1.00 1.22  1   BG 1 
HETATM 3821 C C1  . LIG_CG CG 46 .   ? 5.680   13.106  -19.414 1.00 1.30  1   CG 1 
HETATM 3822 C C2  . LIG_CG CG 46 .   ? 5.775   13.030  -18.287 1.00 1.26  1   CG 1 
HETATM 3823 C C3  . LIG_CG CG 46 .   ? 5.564   12.858  -17.347 1.00 1.23  1   CG 1 
HETATM 3824 C C4  . LIG_CG CG 46 .   ? 5.738   13.126  -16.312 1.00 1.26  1   CG 1 
HETATM 3825 C C5  . LIG_CG CG 46 .   ? 6.171   14.033  -15.730 1.00 1.35  1   CG 1 
HETATM 3826 C C6  . LIG_CG CG 46 .   ? 6.299   14.151  -14.685 1.00 1.25  1   CG 1 
HETATM 3827 C C7  . LIG_CG CG 46 .   ? 6.087   13.608  -13.820 1.00 1.32  1   CG 1 
HETATM 3828 C C8  . LIG_CG CG 46 .   ? 5.817   13.088  -13.019 1.00 1.34  1   CG 1 
HETATM 3829 C C9  . LIG_CG CG 46 .   ? 5.436   12.389  -12.375 1.00 1.37  1   CG 1 
HETATM 3830 C C10 . LIG_CG CG 46 .   ? 5.148   11.698  -11.640 1.00 1.45  1   CG 1 
HETATM 3831 C C11 . LIG_CG CG 46 .   ? 4.935   11.099  -10.885 1.00 1.45  1   CG 1 
HETATM 3832 C C12 . LIG_CG CG 46 .   ? 4.936   10.634  -9.899  1.00 1.53  1   CG 1 
HETATM 3833 C C13 . LIG_CG CG 46 .   ? 5.098   10.922  -8.797  1.00 1.48  1   CG 1 
HETATM 3834 C C14 . LIG_CG CG 46 .   ? 5.255   10.375  -7.788  1.00 1.47  1   CG 1 
HETATM 3835 C C15 . LIG_CG CG 46 .   ? 5.191   10.580  -6.677  1.00 1.45  1   CG 1 
HETATM 3836 C C16 . LIG_CG CG 46 .   ? 5.487   9.931   -5.673  1.00 1.46  1   CG 1 
HETATM 3837 C C17 . LIG_CG CG 46 .   ? 4.671   9.561   -4.814  1.00 1.30  1   CG 1 
HETATM 3838 C C18 . LIG_CG CG 46 .   ? 5.074   8.825   -3.760  1.00 1.33  1   CG 1 
HETATM 3839 O O1  . LIG_CG CG 46 .   ? 5.440   9.326   -2.764  1.00 1.56  1   CG 1 
HETATM 3840 O O2  . LIG_CG CG 46 .   ? 5.010   7.637   -3.945  1.00 1.61  1   CG 1 
HETATM 3841 C C19 . LIG_CG CG 46 .   ? 5.373   6.837   -2.945  1.00 1.34  1   CG 1 
HETATM 3842 C C20 . LIG_CG CG 46 .   ? 5.392   5.433   -3.404  1.00 1.31  1   CG 1 
HETATM 3843 C C21 . LIG_CG CG 46 .   ? 5.822   4.537   -2.296  1.00 1.35  1   CG 1 
HETATM 3844 O O3  . LIG_CG CG 46 .   ? 4.883   4.535   -1.318  1.00 1.35  1   CG 1 
HETATM 3845 P P1  . LIG_CG CG 46 .   ? 5.013   3.684   -0.041  1.00 1.32  1   CG 1 
HETATM 3846 O O4  . LIG_CG CG 46 .   ? 3.653   3.272   0.244   1.00 1.26  1   CG 1 
HETATM 3847 O O5  . LIG_CG CG 46 .   ? 5.511   4.570   0.988   1.00 1.27  1   CG 1 
HETATM 3848 O O6  . LIG_CG CG 46 .   ? 5.906   2.593   -0.317  1.00 1.33  1   CG 1 
HETATM 3849 O O7  . LIG_CG CG 46 .   ? 6.314   5.312   -4.429  1.00 1.38  1   CG 1 
HETATM 3850 C C22 . LIG_CG CG 46 .   ? 5.840   4.990   -5.565  1.00 1.39  1   CG 1 
HETATM 3851 O O8  . LIG_CG CG 46 .   ? 4.696   4.693   -5.670  1.00 1.41  1   CG 1 
HETATM 3852 C C23 . LIG_CG CG 46 .   ? 6.722   5.071   -6.616  1.00 1.39  1   CG 1 
HETATM 3853 C C24 . LIG_CG CG 46 .   ? 6.557   6.168   -7.371  1.00 1.54  1   CG 1 
HETATM 3854 C C25 . LIG_CG CG 46 .   ? 7.432   6.521   -8.202  1.00 1.56  1   CG 1 
HETATM 3855 C C26 . LIG_CG CG 46 .   ? 7.477   7.559   -8.871  1.00 1.56  1   CG 1 
HETATM 3856 C C27 . LIG_CG CG 46 .   ? 8.255   7.994   -9.645  1.00 1.56  1   CG 1 
HETATM 3857 C C28 . LIG_CG CG 46 .   ? 8.459   8.885   -10.329 1.00 1.44  1   CG 1 
HETATM 3858 C C29 . LIG_CG CG 46 .   ? 8.862   9.378   -11.226 1.00 1.45  1   CG 1 
HETATM 3859 C C30 . LIG_CG CG 46 .   ? 9.009   10.040  -12.048 1.00 1.49  1   CG 1 
HETATM 3860 C C31 . LIG_CG CG 46 .   ? 9.136   10.513  -12.976 1.00 1.47  1   CG 1 
HETATM 3861 C C32 . LIG_CG CG 46 .   ? 9.246   11.106  -13.840 1.00 1.54  1   CG 1 
HETATM 3862 C C33 . LIG_CG CG 46 .   ? 9.406   11.570  -14.774 1.00 1.39  1   CG 1 
HETATM 3863 C C34 . LIG_CG CG 46 .   ? 9.604   12.283  -15.564 1.00 1.39  1   CG 1 
HETATM 3864 C C35 . LIG_CG CG 46 .   ? 9.826   12.699  -16.551 1.00 1.35  1   CG 1 
HETATM 3865 C C36 . LIG_CG CG 46 .   ? 10.150  13.532  -17.226 1.00 1.43  1   CG 1 
HETATM 3866 C C37 . LIG_CG CG 46 .   ? 10.490  13.917  -18.248 1.00 1.46  1   CG 1 
HETATM 3867 C C38 . LIG_CG CG 46 .   ? 10.903  14.814  -18.851 1.00 1.28  1   CG 1 
HETATM 3868 C C39 . LIG_CG CG 46 .   ? 11.359  15.156  -19.929 1.00 1.25  1   CG 1 
HETATM 3869 C C1  . LIG_BH BH 47 .   ? 17.272  26.771  -15.777 1.00 1.30  1   BH 1 
HETATM 3870 C C2  . LIG_BH BH 47 .   ? 16.590  26.332  -14.848 1.00 1.27  1   BH 1 
HETATM 3871 C C3  . LIG_BH BH 47 .   ? 16.666  25.651  -13.899 1.00 1.27  1   BH 1 
HETATM 3872 C C4  . LIG_BH BH 47 .   ? 16.073  25.131  -13.017 1.00 1.30  1   BH 1 
HETATM 3873 C C5  . LIG_BH BH 47 .   ? 16.162  24.404  -12.103 1.00 1.32  1   BH 1 
HETATM 3874 C C6  . LIG_BH BH 47 .   ? 15.689  23.819  -11.261 1.00 1.27  1   BH 1 
HETATM 3875 C C7  . LIG_BH BH 47 .   ? 15.679  23.135  -10.380 1.00 1.28  1   BH 1 
HETATM 3876 C C8  . LIG_BH BH 47 .   ? 15.333  22.565  -9.528  1.00 1.33  1   BH 1 
HETATM 3877 C C9  . LIG_BH BH 47 .   ? 15.274  21.955  -8.646  1.00 1.35  1   BH 1 
HETATM 3878 C C10 . LIG_BH BH 47 .   ? 15.065  21.388  -7.744  1.00 1.41  1   BH 1 
HETATM 3879 C C11 . LIG_BH BH 47 .   ? 15.012  20.833  -6.799  1.00 1.40  1   BH 1 
HETATM 3880 C C12 . LIG_BH BH 47 .   ? 14.568  20.260  -5.909  1.00 1.54  1   BH 1 
HETATM 3881 C C13 . LIG_BH BH 47 .   ? 14.720  19.736  -4.900  1.00 1.40  1   BH 1 
HETATM 3882 C C14 . LIG_BH BH 47 .   ? 14.240  19.132  -4.026  1.00 1.42  1   BH 1 
HETATM 3883 C C15 . LIG_BH BH 47 .   ? 14.503  18.646  -3.007  1.00 1.39  1   BH 1 
HETATM 3884 C C16 . LIG_BH BH 47 .   ? 13.983  17.991  -2.116  1.00 1.39  1   BH 1 
HETATM 3885 C C17 . LIG_BH BH 47 .   ? 14.552  17.548  -1.101  1.00 1.26  1   BH 1 
HETATM 3886 C C18 . LIG_BH BH 47 .   ? 13.897  16.851  -0.171  1.00 1.25  1   BH 1 
HETATM 3887 O O1  . LIG_BH BH 47 .   ? 12.766  16.575  -0.257  1.00 1.59  1   BH 1 
HETATM 3888 O O2  . LIG_BH BH 47 .   ? 14.606  16.527  0.750   1.00 1.44  1   BH 1 
HETATM 3889 C C19 . LIG_BH BH 47 .   ? 14.020  15.873  1.722   1.00 1.19  1   BH 1 
HETATM 3890 C C20 . LIG_BH BH 47 .   ? 14.709  16.157  2.973   1.00 1.21  1   BH 1 
HETATM 3891 C C21 . LIG_BH BH 47 .   ? 13.984  15.442  4.049   1.00 1.20  1   BH 1 
HETATM 3892 O O3  . LIG_BH BH 47 .   ? 14.817  15.166  5.058   1.00 1.23  1   BH 1 
HETATM 3893 P P1  . LIG_BH BH 47 .   ? 14.386  14.247  6.192   1.00 1.18  1   BH 1 
HETATM 3894 O O4  . LIG_BH BH 47 .   ? 15.300  14.445  7.277   1.00 1.13  1   BH 1 
HETATM 3895 O O5  . LIG_BH BH 47 .   ? 12.996  14.357  6.434   1.00 1.17  1   BH 1 
HETATM 3896 O O6  . LIG_BH BH 47 .   ? 14.670  12.875  5.502   1.00 1.16  1   BH 1 
HETATM 3897 C C22 . LIG_BH BH 47 .   ? 15.301  11.921  6.087   1.00 1.19  1   BH 1 
HETATM 3898 C C23 . LIG_BH BH 47 .   ? 15.531  10.905  5.192   1.00 1.21  1   BH 1 
HETATM 3899 N N1  . LIG_BH BH 47 .   ? 16.314  11.198  4.178   1.00 1.37  1   BH 1 
HETATM 3900 O O7  . LIG_BH BH 47 .   ? 14.644  17.525  3.233   1.00 1.24  1   BH 1 
HETATM 3901 C C24 . LIG_BH BH 47 .   ? 15.745  18.154  3.290   1.00 1.21  1   BH 1 
HETATM 3902 O O8  . LIG_BH BH 47 .   ? 16.774  17.574  3.428   1.00 1.27  1   BH 1 
HETATM 3903 C C25 . LIG_BH BH 47 .   ? 15.659  19.525  3.101   1.00 1.22  1   BH 1 
HETATM 3904 C C26 . LIG_BH BH 47 .   ? 16.218  19.918  1.946   1.00 1.35  1   BH 1 
HETATM 3905 C C27 . LIG_BH BH 47 .   ? 15.890  21.015  1.373   1.00 1.36  1   BH 1 
HETATM 3906 C C28 . LIG_BH BH 47 .   ? 16.196  21.369  0.240   1.00 1.26  1   BH 1 
HETATM 3907 C C29 . LIG_BH BH 47 .   ? 15.947  22.236  -0.521  1.00 1.26  1   BH 1 
HETATM 3908 C C30 . LIG_BH BH 47 .   ? 16.080  22.602  -1.590  1.00 1.29  1   BH 1 
HETATM 3909 C C31 . LIG_BH BH 47 .   ? 15.897  23.338  -2.453  1.00 1.23  1   BH 1 
HETATM 3910 C C32 . LIG_BH BH 47 .   ? 15.919  23.706  -3.475  1.00 1.26  1   BH 1 
HETATM 3911 C C33 . LIG_BH BH 47 .   ? 15.872  24.280  -4.392  1.00 1.24  1   BH 1 
HETATM 3912 C C34 . LIG_BH BH 47 .   ? 15.782  24.690  -5.382  1.00 1.24  1   BH 1 
HETATM 3913 C C35 . LIG_BH BH 47 .   ? 15.802  25.308  -6.279  1.00 1.23  1   BH 1 
HETATM 3914 C C36 . LIG_BH BH 47 .   ? 15.423  25.675  -7.259  1.00 1.24  1   BH 1 
HETATM 3915 C C37 . LIG_BH BH 47 .   ? 15.527  26.346  -8.183  1.00 1.26  1   BH 1 
HETATM 3916 C C38 . LIG_BH BH 47 .   ? 14.970  26.730  -9.144  1.00 1.23  1   BH 1 
HETATM 3917 C C39 . LIG_BH BH 47 .   ? 15.115  27.390  -10.126 1.00 1.19  1   BH 1 
HETATM 3918 C C40 . LIG_BH BH 47 .   ? 14.578  27.799  -11.057 1.00 1.20  1   BH 1 
HETATM 3919 C C41 . LIG_BH BH 47 .   ? 14.817  28.462  -12.075 1.00 1.18  1   BH 1 
HETATM 3920 C C1  . LIG_CH CH 48 .   ? -3.939  23.228  -16.251 1.00 1.26  1   CH 1 
HETATM 3921 C C2  . LIG_CH CH 48 .   ? -4.493  23.378  -15.196 1.00 1.26  1   CH 1 
HETATM 3922 C C3  . LIG_CH CH 48 .   ? -5.022  23.030  -14.301 1.00 1.26  1   CH 1 
HETATM 3923 C C4  . LIG_CH CH 48 .   ? -5.625  23.227  -13.362 1.00 1.31  1   CH 1 
HETATM 3924 C C5  . LIG_CH CH 48 .   ? -6.234  23.268  -12.495 1.00 1.35  1   CH 1 
HETATM 3925 C C6  . LIG_CH CH 48 .   ? -6.898  23.419  -11.659 1.00 1.27  1   CH 1 
HETATM 3926 C C7  . LIG_CH CH 48 .   ? -7.519  23.290  -10.858 1.00 1.25  1   CH 1 
HETATM 3927 C C8  . LIG_CH CH 48 .   ? -8.203  23.213  -10.074 1.00 1.27  1   CH 1 
HETATM 3928 C C9  . LIG_CH CH 48 .   ? -8.792  23.046  -9.240  1.00 1.28  1   CH 1 
HETATM 3929 C C10 . LIG_CH CH 48 .   ? -9.420  22.872  -8.410  1.00 1.32  1   CH 1 
HETATM 3930 C C11 . LIG_CH CH 48 .   ? -9.922  22.832  -7.511  1.00 1.31  1   CH 1 
HETATM 3931 C C12 . LIG_CH CH 48 .   ? -10.602 22.811  -6.676  1.00 1.39  1   CH 1 
HETATM 3932 C C13 . LIG_CH CH 48 .   ? -10.946 22.953  -5.645  1.00 1.29  1   CH 1 
HETATM 3933 C C14 . LIG_CH CH 48 .   ? -11.606 22.892  -4.769  1.00 1.29  1   CH 1 
HETATM 3934 C C15 . LIG_CH CH 48 .   ? -11.854 22.839  -3.698  1.00 1.30  1   CH 1 
HETATM 3935 C C16 . LIG_CH CH 48 .   ? -12.440 22.620  -2.800  1.00 1.34  1   CH 1 
HETATM 3936 C C17 . LIG_CH CH 48 .   ? -12.493 22.363  -1.612  1.00 1.22  1   CH 1 
HETATM 3937 C C18 . LIG_CH CH 48 .   ? -12.981 23.283  -0.785  1.00 1.25  1   CH 1 
HETATM 3938 O O1  . LIG_CH CH 48 .   ? -14.088 23.688  -0.869  1.00 1.50  1   CH 1 
HETATM 3939 O O2  . LIG_CH CH 48 .   ? -12.155 23.701  -0.004  1.00 1.45  1   CH 1 
HETATM 3940 C C19 . LIG_CH CH 48 .   ? -12.603 24.411  1.010   1.00 1.19  1   CH 1 
HETATM 3941 C C20 . LIG_CH CH 48 .   ? -11.518 25.198  1.569   1.00 1.16  1   CH 1 
HETATM 3942 C C21 . LIG_CH CH 48 .   ? -11.624 25.248  3.055   1.00 1.17  1   CH 1 
HETATM 3943 O O3  . LIG_CH CH 48 .   ? -12.942 25.389  3.443   1.00 1.20  1   CH 1 
HETATM 3944 P P1  . LIG_CH CH 48 .   ? -13.379 25.309  4.940   1.00 1.17  1   CH 1 
HETATM 3945 O O4  . LIG_CH CH 48 .   ? -12.217 25.674  5.716   1.00 1.15  1   CH 1 
HETATM 3946 O O5  . LIG_CH CH 48 .   ? -13.791 23.953  5.147   1.00 1.21  1   CH 1 
HETATM 3947 O O6  . LIG_CH CH 48 .   ? -14.445 26.241  5.045   1.00 1.19  1   CH 1 
HETATM 3948 O O7  . LIG_CH CH 48 .   ? -11.651 26.481  1.090   1.00 1.28  1   CH 1 
HETATM 3949 C C22 . LIG_CH CH 48 .   ? -10.587 27.013  0.712   1.00 1.27  1   CH 1 
HETATM 3950 O O8  . LIG_CH CH 48 .   ? -9.532  26.521  0.935   1.00 1.35  1   CH 1 
HETATM 3951 C C23 . LIG_CH CH 48 .   ? -10.724 28.169  0.009   1.00 1.23  1   CH 1 
HETATM 3952 C C24 . LIG_CH CH 48 .   ? -9.995  28.151  -1.072  1.00 1.40  1   CH 1 
HETATM 3953 C C25 . LIG_CH CH 48 .   ? -10.130 28.975  -1.985  1.00 1.45  1   CH 1 
HETATM 3954 C C26 . LIG_CH CH 48 .   ? -9.580  28.908  -3.075  1.00 1.47  1   CH 1 
HETATM 3955 C C27 . LIG_CH CH 48 .   ? -9.678  29.331  -4.125  1.00 1.42  1   CH 1 
HETATM 3956 C C28 . LIG_CH CH 48 .   ? -9.334  29.236  -5.192  1.00 1.29  1   CH 1 
HETATM 3957 C C29 . LIG_CH CH 48 .   ? -9.164  29.133  -6.228  1.00 1.31  1   CH 1 
HETATM 3958 C C30 . LIG_CH CH 48 .   ? -8.859  28.948  -7.237  1.00 1.32  1   CH 1 
HETATM 3959 C C31 . LIG_CH CH 48 .   ? -8.576  28.811  -8.250  1.00 1.35  1   CH 1 
HETATM 3960 C C32 . LIG_CH CH 48 .   ? -8.122  28.691  -9.207  1.00 1.42  1   CH 1 
HETATM 3961 C C33 . LIG_CH CH 48 .   ? -7.747  28.676  -10.178 1.00 1.35  1   CH 1 
HETATM 3962 C C34 . LIG_CH CH 48 .   ? -7.207  28.704  -11.150 1.00 1.33  1   CH 1 
HETATM 3963 C C35 . LIG_CH CH 48 .   ? -6.948  29.110  -12.123 1.00 1.37  1   CH 1 
HETATM 3964 C C36 . LIG_CH CH 48 .   ? -6.464  29.283  -13.128 1.00 1.38  1   CH 1 
HETATM 3965 C C37 . LIG_CH CH 48 .   ? -6.313  29.874  -14.112 1.00 1.41  1   CH 1 
HETATM 3966 C C38 . LIG_CH CH 48 .   ? -5.868  30.008  -15.146 1.00 1.27  1   CH 1 
HETATM 3967 C C39 . LIG_CH CH 48 .   ? -5.754  30.723  -16.133 1.00 1.29  1   CH 1 
HETATM 3968 C C1  . LIG_BI BI 49 .   ? 8.153   36.880  -8.626  1.00 1.23  1   BI 1 
HETATM 3969 C C2  . LIG_BI BI 49 .   ? 7.590   36.401  -7.647  1.00 1.22  1   BI 1 
HETATM 3970 C C3  . LIG_BI BI 49 .   ? 7.733   35.764  -6.732  1.00 1.23  1   BI 1 
HETATM 3971 C C4  . LIG_BI BI 49 .   ? 7.412   35.205  -5.811  1.00 1.26  1   BI 1 
HETATM 3972 C C5  . LIG_BI BI 49 .   ? 7.433   34.660  -4.864  1.00 1.29  1   BI 1 
HETATM 3973 C C6  . LIG_BI BI 49 .   ? 7.248   34.088  -3.962  1.00 1.27  1   BI 1 
HETATM 3974 C C7  . LIG_BI BI 49 .   ? 7.137   33.719  -2.955  1.00 1.28  1   BI 1 
HETATM 3975 C C8  . LIG_BI BI 49 .   ? 7.020   33.207  -2.026  1.00 1.34  1   BI 1 
HETATM 3976 C C9  . LIG_BI BI 49 .   ? 6.870   32.847  -1.039  1.00 1.32  1   BI 1 
HETATM 3977 C C10 . LIG_BI BI 49 .   ? 6.780   32.363  -0.061  1.00 1.40  1   BI 1 
HETATM 3978 C C11 . LIG_BI BI 49 .   ? 6.585   32.085  0.961   1.00 1.38  1   BI 1 
HETATM 3979 C C12 . LIG_BI BI 49 .   ? 6.683   31.392  1.893   1.00 1.48  1   BI 1 
HETATM 3980 C C13 . LIG_BI BI 49 .   ? 6.320   31.153  2.962   1.00 1.37  1   BI 1 
HETATM 3981 C C14 . LIG_BI BI 49 .   ? 6.480   30.360  3.835   1.00 1.38  1   BI 1 
HETATM 3982 C C15 . LIG_BI BI 49 .   ? 6.025   29.939  4.761   1.00 1.35  1   BI 1 
HETATM 3983 C C16 . LIG_BI BI 49 .   ? 6.270   29.060  5.625   1.00 1.38  1   BI 1 
HETATM 3984 C C17 . LIG_BI BI 49 .   ? 5.747   27.933  5.651   1.00 1.23  1   BI 1 
HETATM 3985 C C18 . LIG_BI BI 49 .   ? 5.921   27.100  6.666   1.00 1.23  1   BI 1 
HETATM 3986 O O1  . LIG_BI BI 49 .   ? 6.379   27.466  7.696   1.00 1.53  1   BI 1 
HETATM 3987 O O2  . LIG_BI BI 49 .   ? 5.565   25.962  6.457   1.00 1.44  1   BI 1 
HETATM 3988 C C19 . LIG_BI BI 49 .   ? 5.733   25.116  7.452   1.00 1.19  1   BI 1 
HETATM 3989 C C20 . LIG_BI BI 49 .   ? 5.041   23.865  7.194   1.00 1.20  1   BI 1 
HETATM 3990 C C21 . LIG_BI BI 49 .   ? 5.195   22.957  8.365   1.00 1.19  1   BI 1 
HETATM 3991 O O3  . LIG_BI BI 49 .   ? 4.935   23.624  9.499   1.00 1.22  1   BI 1 
HETATM 3992 P P1  . LIG_BI BI 49 .   ? 4.963   22.969  10.897  1.00 1.18  1   BI 1 
HETATM 3993 O O4  . LIG_BI BI 49 .   ? 6.196   23.295  11.516  1.00 1.17  1   BI 1 
HETATM 3994 O O5  . LIG_BI BI 49 .   ? 4.546   21.611  10.809  1.00 1.18  1   BI 1 
HETATM 3995 O O6  . LIG_BI BI 49 .   ? 3.807   23.764  11.527  1.00 1.17  1   BI 1 
HETATM 3996 C C22 . LIG_BI BI 49 .   ? 3.954   24.553  12.543  1.00 1.20  1   BI 1 
HETATM 3997 C C23 . LIG_BI BI 49 .   ? 2.725   25.100  12.892  1.00 1.17  1   BI 1 
HETATM 3998 N N1  . LIG_BI BI 49 .   ? 1.902   25.219  11.859  1.00 1.37  1   BI 1 
HETATM 3999 O O7  . LIG_BI BI 49 .   ? 5.634   23.276  6.110   1.00 1.25  1   BI 1 
HETATM 4000 C C24 . LIG_BI BI 49 .   ? 4.858   22.687  5.310   1.00 1.20  1   BI 1 
HETATM 4001 O O8  . LIG_BI BI 49 .   ? 3.729   22.450  5.588   1.00 1.26  1   BI 1 
HETATM 4002 C C25 . LIG_BI BI 49 .   ? 5.385   22.370  4.075   1.00 1.22  1   BI 1 
HETATM 4003 C C26 . LIG_BI BI 49 .   ? 4.886   23.113  3.080   1.00 1.33  1   BI 1 
HETATM 4004 C C27 . LIG_BI BI 49 .   ? 5.307   22.985  1.892   1.00 1.36  1   BI 1 
HETATM 4005 C C28 . LIG_BI BI 49 .   ? 5.139   23.733  0.935   1.00 1.24  1   BI 1 
HETATM 4006 C C29 . LIG_BI BI 49 .   ? 5.534   23.851  -0.163  1.00 1.26  1   BI 1 
HETATM 4007 C C30 . LIG_BI BI 49 .   ? 5.664   24.444  -1.117  1.00 1.30  1   BI 1 
HETATM 4008 C C31 . LIG_BI BI 49 .   ? 6.047   24.755  -2.129  1.00 1.25  1   BI 1 
HETATM 4009 C C32 . LIG_BI BI 49 .   ? 6.329   25.304  -3.031  1.00 1.27  1   BI 1 
HETATM 4010 C C33 . LIG_BI BI 49 .   ? 6.771   25.689  -3.946  1.00 1.26  1   BI 1 
HETATM 4011 C C34 . LIG_BI BI 49 .   ? 7.176   26.224  -4.817  1.00 1.26  1   BI 1 
HETATM 4012 C C35 . LIG_BI BI 49 .   ? 7.669   26.654  -5.682  1.00 1.28  1   BI 1 
HETATM 4013 C C36 . LIG_BI BI 49 .   ? 8.130   27.234  -6.498  1.00 1.33  1   BI 1 
HETATM 4014 C C37 . LIG_BI BI 49 .   ? 8.681   27.708  -7.334  1.00 1.36  1   BI 1 
HETATM 4015 C C38 . LIG_BI BI 49 .   ? 9.180   28.340  -8.090  1.00 1.26  1   BI 1 
HETATM 4016 C C39 . LIG_BI BI 49 .   ? 9.802   28.794  -8.904  1.00 1.27  1   BI 1 
HETATM 4017 C C40 . LIG_BI BI 49 .   ? 10.292  29.467  -9.620  1.00 1.24  1   BI 1 
HETATM 4018 C C41 . LIG_BI BI 49 .   ? 11.003  29.863  -10.484 1.00 1.17  1   BI 1 
HETATM 4019 C C1  . LIG_CI CI 50 .   ? -12.537 23.312  -21.557 1.00 1.36  1   CI 1 
HETATM 4020 C C2  . LIG_CI CI 50 .   ? -12.972 23.488  -20.431 1.00 1.34  1   CI 1 
HETATM 4021 C C3  . LIG_CI CI 50 .   ? -13.360 24.156  -19.603 1.00 1.34  1   CI 1 
HETATM 4022 C C4  . LIG_CI CI 50 .   ? -13.772 24.290  -18.514 1.00 1.33  1   CI 1 
HETATM 4023 C C5  . LIG_CI CI 50 .   ? -14.152 24.554  -17.532 1.00 1.34  1   CI 1 
HETATM 4024 C C6  . LIG_CI CI 50 .   ? -14.504 24.526  -16.450 1.00 1.29  1   CI 1 
HETATM 4025 C C7  . LIG_CI CI 50 .   ? -14.817 24.354  -15.436 1.00 1.28  1   CI 1 
HETATM 4026 C C8  . LIG_CI CI 50 .   ? -15.130 24.070  -14.424 1.00 1.30  1   CI 1 
HETATM 4027 C C9  . LIG_CI CI 50 .   ? -15.474 23.576  -13.528 1.00 1.30  1   CI 1 
HETATM 4028 C C10 . LIG_CI CI 50 .   ? -15.803 23.093  -12.574 1.00 1.37  1   CI 1 
HETATM 4029 C C11 . LIG_CI CI 50 .   ? -16.181 22.478  -11.746 1.00 1.36  1   CI 1 
HETATM 4030 C C12 . LIG_CI CI 50 .   ? -16.406 22.047  -10.705 1.00 1.49  1   CI 1 
HETATM 4031 C C13 . LIG_CI CI 50 .   ? -16.870 21.208  -10.030 1.00 1.34  1   CI 1 
HETATM 4032 C C14 . LIG_CI CI 50 .   ? -16.910 20.858  -8.876  1.00 1.34  1   CI 1 
HETATM 4033 C C15 . LIG_CI CI 50 .   ? -17.397 19.936  -8.248  1.00 1.38  1   CI 1 
HETATM 4034 C C16 . LIG_CI CI 50 .   ? -17.233 19.607  -7.030  1.00 1.40  1   CI 1 
HETATM 4035 C C17 . LIG_CI CI 50 .   ? -17.805 18.569  -6.489  1.00 1.24  1   CI 1 
HETATM 4036 C C18 . LIG_CI CI 50 .   ? -17.447 18.137  -5.269  1.00 1.26  1   CI 1 
HETATM 4037 O O1  . LIG_CI CI 50 .   ? -16.948 17.075  -5.136  1.00 1.51  1   CI 1 
HETATM 4038 O O2  . LIG_CI CI 50 .   ? -17.637 18.902  -4.338  1.00 1.44  1   CI 1 
HETATM 4039 C C19 . LIG_CI CI 50 .   ? -17.449 18.401  -3.145  1.00 1.19  1   CI 1 
HETATM 4040 C C20 . LIG_CI CI 50 .   ? -16.955 19.425  -2.217  1.00 1.17  1   CI 1 
HETATM 4041 C C21 . LIG_CI CI 50 .   ? -17.084 18.856  -0.843  1.00 1.17  1   CI 1 
HETATM 4042 O O3  . LIG_CI CI 50 .   ? -17.959 19.529  -0.068  1.00 1.22  1   CI 1 
HETATM 4043 P P1  . LIG_CI CI 50 .   ? -18.207 19.125  1.422   1.00 1.18  1   CI 1 
HETATM 4044 O O4  . LIG_CI CI 50 .   ? -18.603 20.345  2.072   1.00 1.15  1   CI 1 
HETATM 4045 O O5  . LIG_CI CI 50 .   ? -16.951 18.591  1.912   1.00 1.20  1   CI 1 
HETATM 4046 O O6  . LIG_CI CI 50 .   ? -19.239 18.123  1.385   1.00 1.20  1   CI 1 
HETATM 4047 O O7  . LIG_CI CI 50 .   ? -17.698 20.575  -2.337  1.00 1.28  1   CI 1 
HETATM 4048 C C22 . LIG_CI CI 50 .   ? -17.025 21.623  -2.615  1.00 1.26  1   CI 1 
HETATM 4049 O O8  . LIG_CI CI 50 .   ? -15.846 21.633  -2.498  1.00 1.35  1   CI 1 
HETATM 4050 C C23 . LIG_CI CI 50 .   ? -17.717 22.720  -3.050  1.00 1.21  1   CI 1 
HETATM 4051 C C24 . LIG_CI CI 50 .   ? -17.000 23.657  -3.632  1.00 1.41  1   CI 1 
HETATM 4052 C C25 . LIG_CI CI 50 .   ? -16.393 23.541  -4.757  1.00 1.51  1   CI 1 
HETATM 4053 C C26 . LIG_CI CI 50 .   ? -15.833 24.411  -5.450  1.00 1.56  1   CI 1 
HETATM 4054 C C27 . LIG_CI CI 50 .   ? -15.171 24.464  -6.472  1.00 1.46  1   CI 1 
HETATM 4055 C C28 . LIG_CI CI 50 .   ? -14.586 25.196  -7.213  1.00 1.31  1   CI 1 
HETATM 4056 C C29 . LIG_CI CI 50 .   ? -13.905 25.333  -8.150  1.00 1.34  1   CI 1 
HETATM 4057 C C30 . LIG_CI CI 50 .   ? -13.270 25.686  -8.997  1.00 1.35  1   CI 1 
HETATM 4058 C C31 . LIG_CI CI 50 .   ? -12.592 25.850  -9.882  1.00 1.36  1   CI 1 
HETATM 4059 C C32 . LIG_CI CI 50 .   ? -11.928 25.961  -10.745 1.00 1.42  1   CI 1 
HETATM 4060 C C33 . LIG_CI CI 50 .   ? -11.212 26.140  -11.580 1.00 1.34  1   CI 1 
HETATM 4061 C C34 . LIG_CI CI 50 .   ? -10.505 25.982  -12.441 1.00 1.30  1   CI 1 
HETATM 4062 C C35 . LIG_CI CI 50 .   ? -9.701  26.221  -13.208 1.00 1.34  1   CI 1 
HETATM 4063 C C36 . LIG_CI CI 50 .   ? -8.956  25.962  -14.042 1.00 1.34  1   CI 1 
HETATM 4064 C C37 . LIG_CI CI 50 .   ? -8.108  26.271  -14.796 1.00 1.35  1   CI 1 
HETATM 4065 C C38 . LIG_CI CI 50 .   ? -7.393  26.004  -15.666 1.00 1.24  1   CI 1 
HETATM 4066 C C39 . LIG_CI CI 50 .   ? -6.494  26.433  -16.406 1.00 1.27  1   CI 1 
HETATM 4067 C C1  . LIG_BJ BJ 51 .   ? 2.809   27.396  -15.859 1.00 1.23  1   BJ 1 
HETATM 4068 C C2  . LIG_BJ BJ 51 .   ? 2.705   26.747  -14.848 1.00 1.19  1   BJ 1 
HETATM 4069 C C3  . LIG_BJ BJ 51 .   ? 2.953   26.636  -13.754 1.00 1.18  1   BJ 1 
HETATM 4070 C C4  . LIG_BJ BJ 51 .   ? 2.853   25.999  -12.796 1.00 1.23  1   BJ 1 
HETATM 4071 C C5  . LIG_BJ BJ 51 .   ? 2.985   25.815  -11.692 1.00 1.30  1   BJ 1 
HETATM 4072 C C6  . LIG_BJ BJ 51 .   ? 2.785   25.193  -10.784 1.00 1.20  1   BJ 1 
HETATM 4073 C C7  . LIG_BJ BJ 51 .   ? 2.804   24.926  -9.732  1.00 1.24  1   BJ 1 
HETATM 4074 C C8  . LIG_BJ BJ 51 .   ? 2.559   24.330  -8.844  1.00 1.25  1   BJ 1 
HETATM 4075 C C9  . LIG_BJ BJ 51 .   ? 2.506   23.924  -7.858  1.00 1.27  1   BJ 1 
HETATM 4076 C C10 . LIG_BJ BJ 51 .   ? 2.324   23.337  -6.944  1.00 1.30  1   BJ 1 
HETATM 4077 C C11 . LIG_BJ BJ 51 .   ? 2.329   22.883  -5.937  1.00 1.31  1   BJ 1 
HETATM 4078 C C12 . LIG_BJ BJ 51 .   ? 2.012   22.239  -5.062  1.00 1.42  1   BJ 1 
HETATM 4079 C C13 . LIG_BJ BJ 51 .   ? 2.045   21.747  -4.039  1.00 1.34  1   BJ 1 
HETATM 4080 C C14 . LIG_BJ BJ 51 .   ? 1.537   21.117  -3.222  1.00 1.33  1   BJ 1 
HETATM 4081 C C15 . LIG_BJ BJ 51 .   ? 1.634   20.595  -2.232  1.00 1.29  1   BJ 1 
HETATM 4082 C C16 . LIG_BJ BJ 51 .   ? 1.115   20.163  -1.293  1.00 1.32  1   BJ 1 
HETATM 4083 C C17 . LIG_BJ BJ 51 .   ? 1.149   19.195  -0.572  1.00 1.21  1   BJ 1 
HETATM 4084 C C18 . LIG_BJ BJ 51 .   ? 1.189   19.285  0.766   1.00 1.23  1   BJ 1 
HETATM 4085 O O1  . LIG_BJ BJ 51 .   ? 0.498   20.002  1.372   1.00 1.51  1   BJ 1 
HETATM 4086 O O2  . LIG_BJ BJ 51 .   ? 2.045   18.565  1.258   1.00 1.43  1   BJ 1 
HETATM 4087 C C19 . LIG_BJ BJ 51 .   ? 2.251   18.672  2.565   1.00 1.19  1   BJ 1 
HETATM 4088 C C20 . LIG_BJ BJ 51 .   ? 3.552   18.077  2.895   1.00 1.21  1   BJ 1 
HETATM 4089 C C21 . LIG_BJ BJ 51 .   ? 3.813   18.215  4.352   1.00 1.18  1   BJ 1 
HETATM 4090 O O3  . LIG_BJ BJ 51 .   ? 3.558   17.049  4.948   1.00 1.21  1   BJ 1 
HETATM 4091 P P1  . LIG_BJ BJ 51 .   ? 3.616   16.872  6.471   1.00 1.17  1   BJ 1 
HETATM 4092 O O4  . LIG_BJ BJ 51 .   ? 2.435   17.421  7.054   1.00 1.12  1   BJ 1 
HETATM 4093 O O5  . LIG_BJ BJ 51 .   ? 3.935   15.488  6.712   1.00 1.15  1   BJ 1 
HETATM 4094 O O6  . LIG_BJ BJ 51 .   ? 4.842   17.715  6.926   1.00 1.17  1   BJ 1 
HETATM 4095 C C22 . LIG_BJ BJ 51 .   ? 5.000   18.037  8.184   1.00 1.20  1   BJ 1 
HETATM 4096 C C23 . LIG_BJ BJ 51 .   ? 6.062   18.892  8.359   1.00 1.21  1   BJ 1 
HETATM 4097 N N1  . LIG_BJ BJ 51 .   ? 7.218   18.414  8.061   1.00 1.39  1   BJ 1 
HETATM 4098 O O7  . LIG_BJ BJ 51 .   ? 4.547   18.755  2.217   1.00 1.24  1   BJ 1 
HETATM 4099 C C24 . LIG_BJ BJ 51 .   ? 5.064   18.160  1.227   1.00 1.20  1   BJ 1 
HETATM 4100 O O8  . LIG_BJ BJ 51 .   ? 4.909   17.004  1.035   1.00 1.27  1   BJ 1 
HETATM 4101 C C25 . LIG_BJ BJ 51 .   ? 5.790   18.995  0.403   1.00 1.19  1   BJ 1 
HETATM 4102 C C26 . LIG_BJ BJ 51 .   ? 5.504   18.898  -0.899  1.00 1.33  1   BJ 1 
HETATM 4103 C C27 . LIG_BJ BJ 51 .   ? 5.922   19.775  -1.710  1.00 1.33  1   BJ 1 
HETATM 4104 C C28 . LIG_BJ BJ 51 .   ? 5.784   19.956  -2.887  1.00 1.24  1   BJ 1 
HETATM 4105 C C29 . LIG_BJ BJ 51 .   ? 6.058   20.682  -3.738  1.00 1.28  1   BJ 1 
HETATM 4106 C C30 . LIG_BJ BJ 51 .   ? 6.172   21.134  -4.741  1.00 1.30  1   BJ 1 
HETATM 4107 C C31 . LIG_BJ BJ 51 .   ? 6.444   21.746  -5.638  1.00 1.26  1   BJ 1 
HETATM 4108 C C32 . LIG_BJ BJ 51 .   ? 6.651   22.203  -6.590  1.00 1.32  1   BJ 1 
HETATM 4109 C C33 . LIG_BJ BJ 51 .   ? 6.894   22.636  -7.530  1.00 1.29  1   BJ 1 
HETATM 4110 C C34 . LIG_BJ BJ 51 .   ? 7.090   23.032  -8.490  1.00 1.30  1   BJ 1 
HETATM 4111 C C35 . LIG_BJ BJ 51 .   ? 7.275   23.365  -9.506  1.00 1.29  1   BJ 1 
HETATM 4112 C C36 . LIG_BJ BJ 51 .   ? 7.318   23.894  -10.415 1.00 1.33  1   BJ 1 
HETATM 4113 C C37 . LIG_BJ BJ 51 .   ? 7.360   24.163  -11.518 1.00 1.34  1   BJ 1 
HETATM 4114 C C38 . LIG_BJ BJ 51 .   ? 7.164   24.958  -12.291 1.00 1.27  1   BJ 1 
HETATM 4115 C C39 . LIG_BJ BJ 51 .   ? 7.096   25.303  -13.391 1.00 1.23  1   BJ 1 
HETATM 4116 C C40 . LIG_BJ BJ 51 .   ? 6.857   26.147  -14.133 1.00 1.20  1   BJ 1 
HETATM 4117 C C41 . LIG_BJ BJ 51 .   ? 6.820   26.431  -15.313 1.00 1.22  1   BJ 1 
HETATM 4118 C C1  . LIG_CJ CJ 52 .   ? 2.764   32.006  -11.300 1.00 1.15  1   CJ 1 
HETATM 4119 C C2  . LIG_CJ CJ 52 .   ? 2.143   31.356  -10.496 1.00 1.15  1   CJ 1 
HETATM 4120 C C3  . LIG_CJ CJ 52 .   ? 1.423   31.108  -9.764  1.00 1.16  1   CJ 1 
HETATM 4121 C C4  . LIG_CJ CJ 52 .   ? 0.740   30.519  -9.071  1.00 1.20  1   CJ 1 
HETATM 4122 C C5  . LIG_CJ CJ 52 .   ? -0.021  30.304  -8.344  1.00 1.23  1   CJ 1 
HETATM 4123 C C6  . LIG_CJ CJ 52 .   ? -0.749  29.983  -7.605  1.00 1.18  1   CJ 1 
HETATM 4124 C C7  . LIG_CJ CJ 52 .   ? -1.400  30.166  -6.791  1.00 1.21  1   CJ 1 
HETATM 4125 C C8  . LIG_CJ CJ 52 .   ? -1.945  30.518  -5.978  1.00 1.24  1   CJ 1 
HETATM 4126 C C9  . LIG_CJ CJ 52 .   ? -2.472  30.894  -5.090  1.00 1.25  1   CJ 1 
HETATM 4127 C C10 . LIG_CJ CJ 52 .   ? -2.996  31.140  -4.187  1.00 1.29  1   CJ 1 
HETATM 4128 C C11 . LIG_CJ CJ 52 .   ? -3.501  31.354  -3.254  1.00 1.28  1   CJ 1 
HETATM 4129 C C12 . LIG_CJ CJ 52 .   ? -4.119  31.218  -2.340  1.00 1.41  1   CJ 1 
HETATM 4130 C C13 . LIG_CJ CJ 52 .   ? -4.651  31.394  -1.343  1.00 1.30  1   CJ 1 
HETATM 4131 C C14 . LIG_CJ CJ 52 .   ? -5.359  30.895  -0.562  1.00 1.34  1   CJ 1 
HETATM 4132 C C15 . LIG_CJ CJ 52 .   ? -5.891  30.912  0.412   1.00 1.32  1   CJ 1 
HETATM 4133 C C16 . LIG_CJ CJ 52 .   ? -6.612  30.321  1.162   1.00 1.34  1   CJ 1 
HETATM 4134 C C17 . LIG_CJ CJ 52 .   ? -6.936  30.497  2.298   1.00 1.21  1   CJ 1 
HETATM 4135 C C18 . LIG_CJ CJ 52 .   ? -7.745  29.719  2.999   1.00 1.23  1   CJ 1 
HETATM 4136 O O1  . LIG_CJ CJ 52 .   ? -8.735  29.245  2.562   1.00 1.48  1   CJ 1 
HETATM 4137 O O2  . LIG_CJ CJ 52 .   ? -7.347  29.534  4.112   1.00 1.41  1   CJ 1 
HETATM 4138 C C19 . LIG_CJ CJ 52 .   ? -8.070  28.720  4.831   1.00 1.17  1   CJ 1 
HETATM 4139 C C20 . LIG_CJ CJ 52 .   ? -7.201  27.795  5.553   1.00 1.16  1   CJ 1 
HETATM 4140 C C21 . LIG_CJ CJ 52 .   ? -8.005  26.968  6.487   1.00 1.16  1   CJ 1 
HETATM 4141 O O3  . LIG_CJ CJ 52 .   ? -8.685  27.770  7.377   1.00 1.22  1   CJ 1 
HETATM 4142 P P1  . LIG_CJ CJ 52 .   ? -9.483  27.174  8.577   1.00 1.20  1   CJ 1 
HETATM 4143 O O4  . LIG_CJ CJ 52 .   ? -9.792  28.316  9.405   1.00 1.17  1   CJ 1 
HETATM 4144 O O5  . LIG_CJ CJ 52 .   ? -10.640 26.547  8.008   1.00 1.24  1   CJ 1 
HETATM 4145 O O6  . LIG_CJ CJ 52 .   ? -8.590  26.238  9.226   1.00 1.27  1   CJ 1 
HETATM 4146 O O7  . LIG_CJ CJ 52 .   ? -6.299  28.521  6.324   1.00 1.26  1   CJ 1 
HETATM 4147 C C22 . LIG_CJ CJ 52 .   ? -5.108  28.470  5.949   1.00 1.26  1   CJ 1 
HETATM 4148 O O8  . LIG_CJ CJ 52 .   ? -4.797  27.916  4.952   1.00 1.32  1   CJ 1 
HETATM 4149 C C23 . LIG_CJ CJ 52 .   ? -4.238  29.121  6.777   1.00 1.21  1   CJ 1 
HETATM 4150 C C24 . LIG_CJ CJ 52 .   ? -2.994  29.144  6.403   1.00 1.34  1   CJ 1 
HETATM 4151 C C25 . LIG_CJ CJ 52 .   ? -2.597  29.782  5.363   1.00 1.40  1   CJ 1 
HETATM 4152 C C26 . LIG_CJ CJ 52 .   ? -1.346  30.033  5.235   1.00 1.44  1   CJ 1 
HETATM 4153 C C27 . LIG_CJ CJ 52 .   ? -0.746  30.474  4.272   1.00 1.41  1   CJ 1 
HETATM 4154 C C28 . LIG_CJ CJ 52 .   ? 0.399   30.781  4.078   1.00 1.31  1   CJ 1 
HETATM 4155 C C29 . LIG_CJ CJ 52 .   ? 1.004   31.280  3.289   1.00 1.36  1   CJ 1 
HETATM 4156 C C30 . LIG_CJ CJ 52 .   ? 1.717   31.922  2.821   1.00 1.40  1   CJ 1 
HETATM 4157 C C31 . LIG_CJ CJ 52 .   ? 2.083   32.690  2.218   1.00 1.36  1   CJ 1 
HETATM 4158 C C32 . LIG_CJ CJ 52 .   ? 2.373   33.489  1.601   1.00 1.48  1   CJ 1 
HETATM 4159 C C33 . LIG_CJ CJ 52 .   ? 2.425   34.214  0.861   1.00 1.38  1   CJ 1 
HETATM 4160 C C34 . LIG_CJ CJ 52 .   ? 2.624   34.756  -0.046  1.00 1.41  1   CJ 1 
HETATM 4161 C C35 . LIG_CJ CJ 52 .   ? 2.733   34.999  -1.062  1.00 1.39  1   CJ 1 
HETATM 4162 C C36 . LIG_CJ CJ 52 .   ? 2.931   35.273  -2.086  1.00 1.47  1   CJ 1 
HETATM 4163 C C37 . LIG_CJ CJ 52 .   ? 3.050   35.512  -3.151  1.00 1.45  1   CJ 1 
HETATM 4164 C C38 . LIG_CJ CJ 52 .   ? 3.222   35.857  -4.169  1.00 1.29  1   CJ 1 
HETATM 4165 C C39 . LIG_CJ CJ 52 .   ? 3.315   36.211  -5.289  1.00 1.27  1   CJ 1 
#
