# 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-24dopc-v2
#
_entry.id atrop9short-far-24dopc-v2
#
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_C ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_D ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_E ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_F ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_G ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_H ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_I ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_J ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_K ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_L ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_M ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_N ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_O ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_P ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_Q ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_R ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_S ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_T ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_U ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_V ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_W ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_X ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_Y ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
?               ?       LIG_Z ? ?               CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC ? non-polymer         
"C6 H15 N2 O2"  147.195 LYS   y LYSINE          C(CC[NH3+])C[C@@H](C(=O)O)N                                                               ? "L-PEPTIDE LINKING" 
"C5 H11 N O2 S" 149.211 MET   y METHIONINE      CSCC[C@@H](C(=O)O)N                                                                       ? "L-PEPTIDE LINKING" 
"C9 H11 N O2"   165.189 PHE   y PHENYLALANINE   c1ccc(cc1)C[C@@H](C(=O)O)N                                                                ? "L-PEPTIDE LINKING" 
"C5 H9 N O2"    115.130 PRO   y PROLINE         C1C[C@H](NC1)C(=O)O                                                                       ? "L-PEPTIDE LINKING" 
"C3 H7 N O3"    105.093 SER   y SERINE          C([C@@H](C(=O)O)N)O                                                                       ? "L-PEPTIDE LINKING" 
"C4 H9 N O3"    119.119 THR   y THREONINE       C[C@H]([C@@H](C(=O)O)N)O                                                                  ? "L-PEPTIDE LINKING" 
"C11 H12 N2 O2" 204.225 TRP   y TRYPTOPHAN      c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N                                                      ? "L-PEPTIDE LINKING" 
"C9 H11 N O3"   181.189 TYR   y TYROSINE        c1cc(ccc1C[C@@H](C(=O)O)N)O                                                               ? "L-PEPTIDE LINKING" 
"C5 H11 N O2"   117.146 VAL   y VALINE          CC(C)[C@@H](C(=O)O)N                                                                      ? "L-PEPTIDE LINKING" 
#
_citation.book_publisher          ?
_citation.country                 UK
_citation.id                      primary
_citation.journal_full            Nature
_citation.journal_id_ASTM         NATUAS
_citation.journal_id_CSD          0006
_citation.journal_id_ISSN         0028-0836
_citation.journal_volume          630
_citation.page_first              493
_citation.page_last               500
_citation.pdbx_database_id_DOI    10.1038/s41586-024-07487-w
_citation.pdbx_database_id_PubMed 38718835
_citation.title                   "Accurate structure prediction of biomolecular interactions with AlphaFold 3"
_citation.year                    2024
#
loop_
_citation_author.citation_id
_citation_author.name
_citation_author.ordinal
primary "Google DeepMind" 1 
primary "Isomorphic Labs" 2 
#
loop_
_entity.id
_entity.pdbx_description
_entity.type
1  . polymer     
2  . non-polymer 
3  . non-polymer 
4  . non-polymer 
5  . non-polymer 
6  . non-polymer 
7  . non-polymer 
8  . non-polymer 
9  . non-polymer 
10 . non-polymer 
11 . non-polymer 
12 . non-polymer 
13 . non-polymer 
14 . non-polymer 
15 . non-polymer 
16 . non-polymer 
17 . non-polymer 
18 . non-polymer 
19 . non-polymer 
20 . non-polymer 
21 . non-polymer 
22 . non-polymer 
23 . non-polymer 
24 . non-polymer 
25 . non-polymer 
26 . non-polymer 
#
_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 13:13:23)"
_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 46.29
_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 47.37 1 1   
A SER   2   2 50.50 1 2   
A ALA   3   2 57.71 1 3   
A SER   4   2 65.95 1 4   
A LYS   5   2 72.31 1 5   
A PHE   6   2 82.64 1 6   
A ILE   7   2 86.24 1 7   
A LYS   8   2 90.50 1 8   
A CYS   9   2 91.08 1 9   
A VAL   10  2 89.84 1 10  
A THR   11  2 86.19 1 11  
A VAL   12  2 88.19 1 12  
A GLY   13  2 88.75 1 13  
A ASP   14  2 86.34 1 14  
A GLY   15  2 87.22 1 15  
A ALA   16  2 84.40 1 16  
A VAL   17  2 83.85 1 17  
A GLY   18  2 87.14 1 18  
A LYS   19  2 83.86 1 19  
A THR   20  2 84.15 1 20  
A CYS   21  2 85.87 1 21  
A MET   22  2 85.15 1 22  
A LEU   23  2 84.82 1 23  
A ILE   24  2 83.41 1 24  
A CYS   25  2 85.53 1 25  
A TYR   26  2 84.35 1 26  
A THR   27  2 81.92 1 27  
A SER   28  2 81.51 1 28  
A ASN   29  2 76.91 1 29  
A LYS   30  2 71.46 1 30  
A PHE   31  2 72.33 1 31  
A PRO   32  2 76.34 1 32  
A THR   33  2 72.73 1 33  
A ASP   34  2 69.60 1 34  
A TYR   35  2 65.84 1 35  
A ILE   36  2 73.16 1 36  
A PRO   37  2 76.90 1 37  
A THR   38  2 71.68 1 38  
A VAL   39  2 71.22 1 39  
A PHE   40  2 73.07 1 40  
A ASP   41  2 74.82 1 41  
A ASN   42  2 75.69 1 42  
A PHE   43  2 75.48 1 43  
A SER   44  2 82.12 1 44  
A ALA   45  2 84.51 1 45  
A ASN   46  2 82.23 1 46  
A VAL   47  2 83.74 1 47  
A ALA   48  2 86.17 1 48  
A VAL   49  2 81.85 1 49  
A ASP   50  2 77.33 1 50  
A GLY   51  2 83.34 1 51  
A GLN   52  2 77.38 1 52  
A ILE   53  2 80.30 1 53  
A VAL   54  2 84.72 1 54  
A ASN   55  2 83.67 1 55  
A LEU   56  2 86.92 1 56  
A GLY   57  2 90.83 1 57  
A LEU   58  2 86.98 1 58  
A TRP   59  2 82.42 1 59  
A ASP   60  2 84.15 1 60  
A THR   61  2 81.59 1 61  
A ALA   62  2 80.47 1 62  
A GLY   63  2 78.98 1 63  
A GLN   64  2 73.77 1 64  
A GLU   65  2 72.73 1 65  
A ASP   66  2 75.41 1 66  
A TYR   67  2 77.62 1 67  
A SER   68  2 84.80 1 68  
A ARG   69  2 74.81 1 69  
A LEU   70  2 82.24 1 70  
A ARG   71  2 81.53 1 71  
A PRO   72  2 88.95 1 72  
A LEU   73  2 86.18 1 73  
A SER   74  2 87.66 1 74  
A TYR   75  2 86.92 1 75  
A ARG   76  2 77.31 1 76  
A GLY   77  2 91.60 1 77  
A ALA   78  2 91.90 1 78  
A ASP   79  2 89.81 1 79  
A ILE   80  2 90.59 1 80  
A PHE   81  2 91.18 1 81  
A VAL   82  2 91.06 1 82  
A LEU   83  2 90.81 1 83  
A ALA   84  2 92.52 1 84  
A PHE   85  2 90.73 1 85  
A SER   86  2 90.47 1 86  
A LEU   87  2 89.30 1 87  
A ILE   88  2 83.52 1 88  
A SER   89  2 88.35 1 89  
A LYS   90  2 80.91 1 90  
A ALA   91  2 90.97 1 91  
A SER   92  2 89.55 1 92  
A TYR   93  2 91.07 1 93  
A GLU   94  2 87.67 1 94  
A ASN   95  2 87.42 1 95  
A VAL   96  2 90.63 1 96  
A LEU   97  2 87.28 1 97  
A LYS   98  2 82.57 1 98  
A LYS   99  2 85.62 1 99  
A TRP   100 2 89.88 1 100 
A MET   101 2 89.82 1 101 
A PRO   102 2 91.95 1 102 
A GLU   103 2 87.71 1 103 
A LEU   104 2 88.86 1 104 
A ARG   105 2 78.14 1 105 
A ARG   106 2 79.59 1 106 
A PHE   107 2 84.92 1 107 
A ALA   108 2 89.64 1 108 
A PRO   109 2 86.81 1 109 
A ASN   110 2 83.45 1 110 
A VAL   111 2 89.57 1 111 
A PRO   112 2 91.73 1 112 
A ILE   113 2 90.66 1 113 
A VAL   114 2 91.29 1 114 
A LEU   115 2 91.68 1 115 
A VAL   116 2 90.51 1 116 
A GLY   117 2 92.30 1 117 
A THR   118 2 87.74 1 118 
A LYS   119 2 84.51 1 119 
A LEU   120 2 87.69 1 120 
A ASP   121 2 83.46 1 121 
A LEU   122 2 83.82 1 122 
A ARG   123 2 82.66 1 123 
A ASP   124 2 79.31 1 124 
A ASP   125 2 77.16 1 125 
A LYS   126 2 68.87 1 126 
A GLY   127 2 76.74 1 127 
A TYR   128 2 69.54 1 128 
A LEU   129 2 72.21 1 129 
A ALA   130 2 75.07 1 130 
A ASP   131 2 72.29 1 131 
A HIS   132 2 70.60 1 132 
A THR   133 2 72.72 1 133 
A ASN   134 2 76.03 1 134 
A VAL   135 2 84.28 1 135 
A ILE   136 2 87.45 1 136 
A THR   137 2 86.47 1 137 
A SER   138 2 89.57 1 138 
A THR   139 2 88.53 1 139 
A GLN   140 2 88.32 1 140 
A GLY   141 2 92.90 1 141 
A GLU   142 2 86.76 1 142 
A GLU   143 2 84.58 1 143 
A LEU   144 2 90.97 1 144 
A ARG   145 2 88.53 1 145 
A LYS   146 2 86.66 1 146 
A GLN   147 2 85.74 1 147 
A ILE   148 2 88.27 1 148 
A GLY   149 2 91.12 1 149 
A ALA   150 2 92.05 1 150 
A ALA   151 2 92.28 1 151 
A ALA   152 2 93.25 1 152 
A TYR   153 2 91.50 1 153 
A ILE   154 2 88.28 1 154 
A GLU   155 2 90.36 1 155 
A CYS   156 2 90.88 1 156 
A SER   157 2 89.02 1 157 
A SER   158 2 86.52 1 158 
A LYS   159 2 79.40 1 159 
A THR   160 2 82.89 1 160 
A GLN   161 2 80.81 1 161 
A GLN   162 2 81.90 1 162 
A ASN   163 2 85.81 1 163 
A VAL   164 2 87.51 1 164 
A LYS   165 2 81.64 1 165 
A ALA   166 2 91.83 1 166 
A VAL   167 2 89.21 1 167 
A PHE   168 2 88.16 1 168 
A ASP   169 2 87.15 1 169 
A THR   170 2 88.34 1 170 
A ALA   171 2 92.41 1 171 
A ILE   172 2 88.47 1 172 
A LYS   173 2 84.03 1 173 
A VAL   174 2 88.58 1 174 
A VAL   175 2 87.65 1 175 
A LEU   176 2 84.13 1 176 
A GLN   177 2 72.97 1 177 
A PRO   178 2 73.44 1 178 
A PRO   179 2 66.62 1 179 
A ARG   180 2 48.87 1 180 
A ARG   181 2 45.08 1 181 
A LYS   182 2 47.28 1 182 
A GLU   183 2 45.23 1 183 
A VAL   184 2 45.27 1 184 
A PRO   185 2 50.11 1 185 
A ARG   186 2 47.18 1 186 
A ARG   187 2 47.38 1 187 
A ARG   188 2 45.11 1 188 
A LYS   189 2 46.76 1 189 
A ASN   190 2 51.12 1 190 
A HIS   191 2 48.32 1 191 
A ARG   192 2 42.36 1 192 
A ARG   193 2 44.25 1 193 
A SER   194 2 54.12 1 194 
A GLY   195 2 61.29 1 195 
A CYS   196 2 65.87 1 196 
B FAR   .   2 14.89 1 197 
C LIG_C .   2 3.43  1 198 
D LIG_D .   2 9.07  1 199 
E LIG_E .   2 8.36  1 200 
F LIG_F .   2 6.43  1 201 
G LIG_G .   2 6.15  1 202 
H LIG_H .   2 4.20  1 203 
I LIG_I .   2 8.64  1 204 
J LIG_J .   2 12.79 1 205 
K LIG_K .   2 7.23  1 206 
L LIG_L .   2 7.20  1 207 
M LIG_M .   2 12.49 1 208 
N LIG_N .   2 6.02  1 209 
O LIG_O .   2 5.78  1 210 
P LIG_P .   2 4.70  1 211 
Q LIG_Q .   2 6.93  1 212 
R LIG_R .   2 7.23  1 213 
S LIG_S .   2 12.22 1 214 
T LIG_T .   2 3.46  1 215 
U LIG_U .   2 11.31 1 216 
V LIG_V .   2 4.74  1 217 
W LIG_W .   2 5.68  1 218 
X LIG_X .   2 7.58  1 219 
Y LIG_Y .   2 4.92  1 220 
Z LIG_Z .   2 4.86  1 221 
#
_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 . 
#
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 
#
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 
#
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 
#
_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   ? 22.586  2.127   18.969  1.00 48.46 1   A 1 
ATOM   2    C CA  . MET   A 1  1   ? 21.148  1.956   18.731  1.00 50.01 1   A 1 
ATOM   3    C C   . MET   A 1  1   ? 20.811  2.155   17.261  1.00 49.90 1   A 1 
ATOM   4    O O   . MET   A 1  1   ? 20.206  1.292   16.629  1.00 46.48 1   A 1 
ATOM   5    C CB  . MET   A 1  1   ? 20.335  2.936   19.582  1.00 47.72 1   A 1 
ATOM   6    C CG  . MET   A 1  1   ? 18.838  2.783   19.444  1.00 47.45 1   A 1 
ATOM   7    S SD  . MET   A 1  1   ? 17.921  3.927   20.469  1.00 46.10 1   A 1 
ATOM   8    C CE  . MET   A 1  1   ? 18.236  3.272   22.102  1.00 42.81 1   A 1 
ATOM   9    N N   . SER   A 1  2   ? 21.229  3.285   16.720  1.00 51.78 2   A 1 
ATOM   10   C CA  . SER   A 1  2   ? 20.969  3.598   15.319  1.00 52.97 2   A 1 
ATOM   11   C C   . SER   A 1  2   ? 21.747  2.689   14.375  1.00 55.11 2   A 1 
ATOM   12   O O   . SER   A 1  2   ? 21.430  2.599   13.191  1.00 51.10 2   A 1 
ATOM   13   C CB  . SER   A 1  2   ? 21.308  5.058   15.028  1.00 48.14 2   A 1 
ATOM   14   O OG  . SER   A 1  2   ? 22.677  5.311   15.244  1.00 43.88 2   A 1 
ATOM   15   N N   . ALA   A 1  3   ? 22.761  2.030   14.893  1.00 56.70 3   A 1 
ATOM   16   C CA  . ALA   A 1  3   ? 23.560  1.125   14.079  1.00 58.59 3   A 1 
ATOM   17   C C   . ALA   A 1  3   ? 22.731  -0.055  13.577  1.00 62.01 3   A 1 
ATOM   18   O O   . ALA   A 1  3   ? 23.028  -0.628  12.526  1.00 58.03 3   A 1 
ATOM   19   C CB  . ALA   A 1  3   ? 24.760  0.621   14.873  1.00 53.24 3   A 1 
ATOM   20   N N   . SER   A 1  4   ? 21.708  -0.402  14.326  1.00 67.14 4   A 1 
ATOM   21   C CA  . SER   A 1  4   ? 20.827  -1.499  13.946  1.00 69.90 4   A 1 
ATOM   22   C C   . SER   A 1  4   ? 19.410  -1.012  13.659  1.00 75.13 4   A 1 
ATOM   23   O O   . SER   A 1  4   ? 18.495  -1.815  13.488  1.00 69.87 4   A 1 
ATOM   24   C CB  . SER   A 1  4   ? 20.794  -2.558  15.046  1.00 61.20 4   A 1 
ATOM   25   O OG  . SER   A 1  4   ? 22.079  -3.122  15.253  1.00 52.43 4   A 1 
ATOM   26   N N   . LYS   A 1  5   ? 19.240  0.286   13.600  1.00 79.54 5   A 1 
ATOM   27   C CA  . LYS   A 1  5   ? 17.921  0.861   13.361  1.00 82.83 5   A 1 
ATOM   28   C C   . LYS   A 1  5   ? 17.469  0.640   11.923  1.00 85.34 5   A 1 
ATOM   29   O O   . LYS   A 1  5   ? 18.225  0.871   10.983  1.00 82.79 5   A 1 
ATOM   30   C CB  . LYS   A 1  5   ? 17.930  2.358   13.678  1.00 78.70 5   A 1 
ATOM   31   C CG  . LYS   A 1  5   ? 16.584  3.035   13.515  1.00 69.41 5   A 1 
ATOM   32   C CD  . LYS   A 1  5   ? 16.652  4.503   13.898  1.00 65.46 5   A 1 
ATOM   33   C CE  . LYS   A 1  5   ? 15.302  5.181   13.724  1.00 56.48 5   A 1 
ATOM   34   N NZ  . LYS   A 1  5   ? 14.258  4.619   14.610  1.00 50.20 5   A 1 
ATOM   35   N N   . PHE   A 1  6   ? 16.235  0.208   11.781  1.00 88.26 6   A 1 
ATOM   36   C CA  . PHE   A 1  6   ? 15.665  0.009   10.459  1.00 89.19 6   A 1 
ATOM   37   C C   . PHE   A 1  6   ? 14.803  1.208   10.085  1.00 90.02 6   A 1 
ATOM   38   O O   . PHE   A 1  6   ? 14.032  1.703   10.901  1.00 88.05 6   A 1 
ATOM   39   C CB  . PHE   A 1  6   ? 14.821  -1.264  10.416  1.00 87.04 6   A 1 
ATOM   40   C CG  . PHE   A 1  6   ? 14.140  -1.499  9.093   1.00 85.13 6   A 1 
ATOM   41   C CD1 . PHE   A 1  6   ? 14.835  -2.049  8.027   1.00 78.70 6   A 1 
ATOM   42   C CD2 . PHE   A 1  6   ? 12.806  -1.155  8.912   1.00 77.57 6   A 1 
ATOM   43   C CE1 . PHE   A 1  6   ? 14.212  -2.253  6.803   1.00 75.41 6   A 1 
ATOM   44   C CE2 . PHE   A 1  6   ? 12.177  -1.354  7.688   1.00 74.18 6   A 1 
ATOM   45   C CZ  . PHE   A 1  6   ? 12.884  -1.908  6.633   1.00 75.53 6   A 1 
ATOM   46   N N   . ILE   A 1  7   ? 14.950  1.650   8.849   1.00 89.28 7   A 1 
ATOM   47   C CA  . ILE   A 1  7   ? 14.157  2.768   8.347   1.00 90.16 7   A 1 
ATOM   48   C C   . ILE   A 1  7   ? 13.450  2.338   7.072   1.00 90.86 7   A 1 
ATOM   49   O O   . ILE   A 1  7   ? 14.100  1.940   6.103   1.00 88.71 7   A 1 
ATOM   50   C CB  . ILE   A 1  7   ? 15.031  4.004   8.061   1.00 88.76 7   A 1 
ATOM   51   C CG1 . ILE   A 1  7   ? 15.614  4.545   9.368   1.00 82.67 7   A 1 
ATOM   52   C CG2 . ILE   A 1  7   ? 14.213  5.080   7.349   1.00 81.51 7   A 1 
ATOM   53   C CD1 . ILE   A 1  7   ? 16.543  5.730   9.192   1.00 77.94 7   A 1 
ATOM   54   N N   . LYS   A 1  8   ? 12.137  2.431   7.083   1.00 91.59 8   A 1 
ATOM   55   C CA  . LYS   A 1  8   ? 11.351  2.087   5.908   1.00 92.63 8   A 1 
ATOM   56   C C   . LYS   A 1  8   ? 11.042  3.351   5.119   1.00 92.63 8   A 1 
ATOM   57   O O   . LYS   A 1  8   ? 10.301  4.214   5.585   1.00 91.67 8   A 1 
ATOM   58   C CB  . LYS   A 1  8   ? 10.061  1.376   6.303   1.00 92.20 8   A 1 
ATOM   59   C CG  . LYS   A 1  8   ? 9.171   1.026   5.115   1.00 91.51 8   A 1 
ATOM   60   C CD  . LYS   A 1  8   ? 7.980   0.178   5.526   1.00 89.89 8   A 1 
ATOM   61   C CE  . LYS   A 1  8   ? 7.100   -0.140  4.329   1.00 88.06 8   A 1 
ATOM   62   N NZ  . LYS   A 1  8   ? 5.965   -1.040  4.686   1.00 84.30 8   A 1 
ATOM   63   N N   . CYS   A 1  9   ? 11.606  3.429   3.931   1.00 92.32 9   A 1 
ATOM   64   C CA  . CYS   A 1  9   ? 11.407  4.573   3.053   1.00 92.40 9   A 1 
ATOM   65   C C   . CYS   A 1  9   ? 10.534  4.160   1.871   1.00 92.04 9   A 1 
ATOM   66   O O   . CYS   A 1  9   ? 10.882  3.237   1.134   1.00 89.97 9   A 1 
ATOM   67   C CB  . CYS   A 1  9   ? 12.757  5.095   2.563   1.00 91.90 9   A 1 
ATOM   68   S SG  . CYS   A 1  9   ? 12.653  6.454   1.384   1.00 87.84 9   A 1 
ATOM   69   N N   . VAL   A 1  10  ? 9.411   4.844   1.718   1.00 92.55 10  A 1 
ATOM   70   C CA  . VAL   A 1  10  ? 8.482   4.525   0.637   1.00 92.40 10  A 1 
ATOM   71   C C   . VAL   A 1  10  ? 8.426   5.670   -0.369  1.00 92.56 10  A 1 
ATOM   72   O O   . VAL   A 1  10  ? 8.184   6.816   0.003   1.00 91.16 10  A 1 
ATOM   73   C CB  . VAL   A 1  10  ? 7.069   4.257   1.180   1.00 91.43 10  A 1 
ATOM   74   C CG1 . VAL   A 1  10  ? 6.110   3.927   0.044   1.00 83.98 10  A 1 
ATOM   75   C CG2 . VAL   A 1  10  ? 7.102   3.121   2.194   1.00 84.78 10  A 1 
ATOM   76   N N   . THR   A 1  11  ? 8.643   5.335   -1.629  1.00 91.58 11  A 1 
ATOM   77   C CA  . THR   A 1  11  ? 8.628   6.337   -2.690  1.00 91.38 11  A 1 
ATOM   78   C C   . THR   A 1  11  ? 7.283   6.348   -3.413  1.00 90.76 11  A 1 
ATOM   79   O O   . THR   A 1  11  ? 6.824   5.313   -3.895  1.00 88.18 11  A 1 
ATOM   80   C CB  . THR   A 1  11  ? 9.751   6.071   -3.705  1.00 90.46 11  A 1 
ATOM   81   O OG1 . THR   A 1  11  ? 11.013  6.064   -3.023  1.00 74.91 11  A 1 
ATOM   82   C CG2 . THR   A 1  11  ? 9.775   7.139   -4.788  1.00 76.05 11  A 1 
ATOM   83   N N   . VAL   A 1  12  ? 6.683   7.523   -3.487  1.00 91.81 12  A 1 
ATOM   84   C CA  . VAL   A 1  12  ? 5.388   7.670   -4.148  1.00 91.90 12  A 1 
ATOM   85   C C   . VAL   A 1  12  ? 5.417   8.843   -5.127  1.00 91.61 12  A 1 
ATOM   86   O O   . VAL   A 1  12  ? 6.312   9.684   -5.078  1.00 89.26 12  A 1 
ATOM   87   C CB  . VAL   A 1  12  ? 4.247   7.890   -3.132  1.00 90.92 12  A 1 
ATOM   88   C CG1 . VAL   A 1  12  ? 4.167   6.724   -2.156  1.00 80.56 12  A 1 
ATOM   89   C CG2 . VAL   A 1  12  ? 4.443   9.199   -2.383  1.00 81.28 12  A 1 
ATOM   90   N N   . GLY   A 1  13  ? 4.428   8.870   -6.010  1.00 90.46 13  A 1 
ATOM   91   C CA  . GLY   A 1  13  ? 4.346   9.927   -7.000  1.00 90.09 13  A 1 
ATOM   92   C C   . GLY   A 1  13  ? 3.765   9.404   -8.303  1.00 89.52 13  A 1 
ATOM   93   O O   . GLY   A 1  13  ? 3.625   8.195   -8.483  1.00 84.92 13  A 1 
ATOM   94   N N   . ASP   A 1  14  ? 3.437   10.318  -9.200  1.00 89.77 14  A 1 
ATOM   95   C CA  . ASP   A 1  14  ? 2.874   9.945   -10.493 1.00 89.38 14  A 1 
ATOM   96   C C   . ASP   A 1  14  ? 3.787   9.012   -11.282 1.00 89.23 14  A 1 
ATOM   97   O O   . ASP   A 1  14  ? 4.991   8.923   -11.031 1.00 85.83 14  A 1 
ATOM   98   C CB  . ASP   A 1  14  ? 2.604   11.186  -11.339 1.00 87.95 14  A 1 
ATOM   99   C CG  . ASP   A 1  14  ? 1.329   11.907  -10.944 1.00 86.44 14  A 1 
ATOM   100  O OD1 . ASP   A 1  14  ? 0.708   11.530  -9.929  1.00 80.56 14  A 1 
ATOM   101  O OD2 . ASP   A 1  14  ? 0.947   12.852  -11.662 1.00 81.60 14  A 1 
ATOM   102  N N   . GLY   A 1  15  ? 3.187   8.322   -12.248 1.00 88.80 15  A 1 
ATOM   103  C CA  . GLY   A 1  15  ? 3.972   7.485   -13.128 1.00 87.88 15  A 1 
ATOM   104  C C   . GLY   A 1  15  ? 4.845   8.346   -14.025 1.00 88.05 15  A 1 
ATOM   105  O O   . GLY   A 1  15  ? 4.518   9.496   -14.305 1.00 84.13 15  A 1 
ATOM   106  N N   . ALA   A 1  16  ? 5.965   7.780   -14.462 1.00 85.34 16  A 1 
ATOM   107  C CA  . ALA   A 1  16  ? 6.881   8.450   -15.384 1.00 85.67 16  A 1 
ATOM   108  C C   . ALA   A 1  16  ? 7.632   9.647   -14.802 1.00 86.42 16  A 1 
ATOM   109  O O   . ALA   A 1  16  ? 8.271   10.390  -15.543 1.00 81.75 16  A 1 
ATOM   110  C CB  . ALA   A 1  16  ? 6.152   8.876   -16.658 1.00 82.84 16  A 1 
ATOM   111  N N   . VAL   A 1  17  ? 7.572   9.833   -13.497 1.00 87.63 17  A 1 
ATOM   112  C CA  . VAL   A 1  17  ? 8.341   10.925  -12.893 1.00 87.63 17  A 1 
ATOM   113  C C   . VAL   A 1  17  ? 9.772   10.487  -12.590 1.00 87.58 17  A 1 
ATOM   114  O O   . VAL   A 1  17  ? 10.620  11.317  -12.266 1.00 82.50 17  A 1 
ATOM   115  C CB  . VAL   A 1  17  ? 7.691   11.465  -11.598 1.00 86.44 17  A 1 
ATOM   116  C CG1 . VAL   A 1  17  ? 6.268   11.935  -11.869 1.00 76.88 17  A 1 
ATOM   117  C CG2 . VAL   A 1  17  ? 7.719   10.413  -10.494 1.00 78.29 17  A 1 
ATOM   118  N N   . GLY   A 1  18  ? 10.023  9.198   -12.699 1.00 87.19 18  A 1 
ATOM   119  C CA  . GLY   A 1  18  ? 11.369  8.690   -12.485 1.00 87.48 18  A 1 
ATOM   120  C C   . GLY   A 1  18  ? 11.634  8.060   -11.131 1.00 88.75 18  A 1 
ATOM   121  O O   . GLY   A 1  18  ? 12.789  7.988   -10.705 1.00 85.15 18  A 1 
ATOM   122  N N   . LYS   A 1  19  ? 10.591  7.610   -10.464 1.00 87.37 19  A 1 
ATOM   123  C CA  . LYS   A 1  19  ? 10.750  6.990   -9.142  1.00 87.43 19  A 1 
ATOM   124  C C   . LYS   A 1  19  ? 11.688  5.783   -9.192  1.00 87.48 19  A 1 
ATOM   125  O O   . LYS   A 1  19  ? 12.647  5.689   -8.423  1.00 85.23 19  A 1 
ATOM   126  C CB  . LYS   A 1  19  ? 9.395   6.557   -8.581  1.00 85.81 19  A 1 
ATOM   127  C CG  . LYS   A 1  19  ? 8.396   7.677   -8.364  1.00 83.40 19  A 1 
ATOM   128  C CD  . LYS   A 1  19  ? 7.161   7.201   -7.600  1.00 81.96 19  A 1 
ATOM   129  C CE  . LYS   A 1  19  ? 6.375   6.139   -8.359  1.00 78.91 19  A 1 
ATOM   130  N NZ  . LYS   A 1  19  ? 5.758   6.676   -9.604  1.00 77.12 19  A 1 
ATOM   131  N N   . THR   A 1  20  ? 11.385  4.872   -10.094 1.00 88.04 20  A 1 
ATOM   132  C CA  . THR   A 1  20  ? 12.182  3.656   -10.218 1.00 87.65 20  A 1 
ATOM   133  C C   . THR   A 1  20  ? 13.615  3.971   -10.640 1.00 88.34 20  A 1 
ATOM   134  O O   . THR   A 1  20  ? 14.570  3.403   -10.105 1.00 86.89 20  A 1 
ATOM   135  C CB  . THR   A 1  20  ? 11.541  2.690   -11.223 1.00 85.83 20  A 1 
ATOM   136  O OG1 . THR   A 1  20  ? 10.230  2.337   -10.772 1.00 77.31 20  A 1 
ATOM   137  C CG2 . THR   A 1  20  ? 12.377  1.427   -11.385 1.00 74.97 20  A 1 
ATOM   138  N N   . CYS   A 1  21  ? 13.753  4.875   -11.590 1.00 88.72 21  A 1 
ATOM   139  C CA  . CYS   A 1  21  ? 15.079  5.261   -12.066 1.00 88.28 21  A 1 
ATOM   140  C C   . CYS   A 1  21  ? 15.908  5.881   -10.940 1.00 89.09 21  A 1 
ATOM   141  O O   . CYS   A 1  21  ? 17.106  5.625   -10.825 1.00 87.37 21  A 1 
ATOM   142  C CB  . CYS   A 1  21  ? 14.951  6.237   -13.233 1.00 85.85 21  A 1 
ATOM   143  S SG  . CYS   A 1  21  ? 16.503  6.559   -14.094 1.00 75.91 21  A 1 
ATOM   144  N N   . MET   A 1  22  ? 15.260  6.682   -10.125 1.00 87.76 22  A 1 
ATOM   145  C CA  . MET   A 1  22  ? 15.942  7.312   -8.998  1.00 88.43 22  A 1 
ATOM   146  C C   . MET   A 1  22  ? 16.445  6.262   -8.005  1.00 88.71 22  A 1 
ATOM   147  O O   . MET   A 1  22  ? 17.566  6.358   -7.502  1.00 86.82 22  A 1 
ATOM   148  C CB  . MET   A 1  22  ? 15.003  8.294   -8.298  1.00 87.44 22  A 1 
ATOM   149  C CG  . MET   A 1  22  ? 15.616  9.021   -7.112  1.00 83.56 22  A 1 
ATOM   150  S SD  . MET   A 1  22  ? 14.533  10.294  -6.424  1.00 83.60 22  A 1 
ATOM   151  C CE  . MET   A 1  22  ? 13.162  9.312   -5.839  1.00 74.90 22  A 1 
ATOM   152  N N   . LEU   A 1  23  ? 15.625  5.277   -7.741  1.00 88.04 23  A 1 
ATOM   153  C CA  . LEU   A 1  23  ? 16.009  4.214   -6.814  1.00 87.79 23  A 1 
ATOM   154  C C   . LEU   A 1  23  ? 17.157  3.375   -7.368  1.00 87.84 23  A 1 
ATOM   155  O O   . LEU   A 1  23  ? 18.091  3.029   -6.641  1.00 86.30 23  A 1 
ATOM   156  C CB  . LEU   A 1  23  ? 14.806  3.321   -6.506  1.00 86.85 23  A 1 
ATOM   157  C CG  . LEU   A 1  23  ? 13.714  3.962   -5.649  1.00 84.46 23  A 1 
ATOM   158  C CD1 . LEU   A 1  23  ? 12.438  3.138   -5.685  1.00 78.12 23  A 1 
ATOM   159  C CD2 . LEU   A 1  23  ? 14.199  4.115   -4.214  1.00 79.18 23  A 1 
ATOM   160  N N   . ILE   A 1  24  ? 17.086  3.057   -8.643  1.00 88.59 24  A 1 
ATOM   161  C CA  . ILE   A 1  24  ? 18.142  2.279   -9.282  1.00 87.33 24  A 1 
ATOM   162  C C   . ILE   A 1  24  ? 19.451  3.062   -9.260  1.00 87.24 24  A 1 
ATOM   163  O O   . ILE   A 1  24  ? 20.510  2.517   -8.942  1.00 85.87 24  A 1 
ATOM   164  C CB  . ILE   A 1  24  ? 17.768  1.920   -10.733 1.00 85.83 24  A 1 
ATOM   165  C CG1 . ILE   A 1  24  ? 16.587  0.947   -10.746 1.00 80.37 24  A 1 
ATOM   166  C CG2 . ILE   A 1  24  ? 18.961  1.314   -11.463 1.00 79.09 24  A 1 
ATOM   167  C CD1 . ILE   A 1  24  ? 15.997  0.707   -12.118 1.00 73.00 24  A 1 
ATOM   168  N N   . CYS   A 1  25  ? 19.365  4.333   -9.591  1.00 88.91 25  A 1 
ATOM   169  C CA  . CYS   A 1  25  ? 20.541  5.196   -9.591  1.00 88.10 25  A 1 
ATOM   170  C C   . CYS   A 1  25  ? 21.177  5.251   -8.201  1.00 87.99 25  A 1 
ATOM   171  O O   . CYS   A 1  25  ? 22.397  5.163   -8.063  1.00 85.75 25  A 1 
ATOM   172  C CB  . CYS   A 1  25  ? 20.159  6.602   -10.051 1.00 86.63 25  A 1 
ATOM   173  S SG  . CYS   A 1  25  ? 21.525  7.782   -10.025 1.00 75.79 25  A 1 
ATOM   174  N N   . TYR   A 1  26  ? 20.344  5.386   -7.199  1.00 87.47 26  A 1 
ATOM   175  C CA  . TYR   A 1  26  ? 20.845  5.457   -5.828  1.00 87.03 26  A 1 
ATOM   176  C C   . TYR   A 1  26  ? 21.528  4.166   -5.384  1.00 86.60 26  A 1 
ATOM   177  O O   . TYR   A 1  26  ? 22.600  4.199   -4.777  1.00 84.35 26  A 1 
ATOM   178  C CB  . TYR   A 1  26  ? 19.703  5.787   -4.866  1.00 86.84 26  A 1 
ATOM   179  C CG  . TYR   A 1  26  ? 20.108  5.767   -3.407  1.00 87.10 26  A 1 
ATOM   180  C CD1 . TYR   A 1  26  ? 20.974  6.725   -2.894  1.00 81.87 26  A 1 
ATOM   181  C CD2 . TYR   A 1  26  ? 19.626  4.793   -2.543  1.00 82.10 26  A 1 
ATOM   182  C CE1 . TYR   A 1  26  ? 21.349  6.710   -1.561  1.00 81.01 26  A 1 
ATOM   183  C CE2 . TYR   A 1  26  ? 19.993  4.772   -1.207  1.00 80.88 26  A 1 
ATOM   184  C CZ  . TYR   A 1  26  ? 20.854  5.732   -0.721  1.00 84.17 26  A 1 
ATOM   185  O OH  . TYR   A 1  26  ? 21.222  5.718   0.604   1.00 82.82 26  A 1 
ATOM   186  N N   . THR   A 1  27  ? 20.915  3.048   -5.689  1.00 87.23 27  A 1 
ATOM   187  C CA  . THR   A 1  27  ? 21.444  1.763   -5.234  1.00 85.62 27  A 1 
ATOM   188  C C   . THR   A 1  27  ? 22.592  1.227   -6.083  1.00 84.65 27  A 1 
ATOM   189  O O   . THR   A 1  27  ? 23.401  0.439   -5.596  1.00 81.61 27  A 1 
ATOM   190  C CB  . THR   A 1  27  ? 20.337  0.700   -5.180  1.00 84.57 27  A 1 
ATOM   191  O OG1 . THR   A 1  27  ? 19.766  0.529   -6.481  1.00 75.33 27  A 1 
ATOM   192  C CG2 . THR   A 1  27  ? 19.250  1.104   -4.194  1.00 74.41 27  A 1 
ATOM   193  N N   . SER   A 1  28  ? 22.663  1.640   -7.338  1.00 86.94 28  A 1 
ATOM   194  C CA  . SER   A 1  28  ? 23.706  1.134   -8.230  1.00 84.82 28  A 1 
ATOM   195  C C   . SER   A 1  28  ? 24.785  2.166   -8.558  1.00 83.98 28  A 1 
ATOM   196  O O   . SER   A 1  28  ? 25.804  1.825   -9.154  1.00 78.86 28  A 1 
ATOM   197  C CB  . SER   A 1  28  ? 23.088  0.624   -9.531  1.00 82.10 28  A 1 
ATOM   198  O OG  . SER   A 1  28  ? 22.583  1.693   -10.302 1.00 72.36 28  A 1 
ATOM   199  N N   . ASN   A 1  29  ? 24.544  3.413   -8.176  1.00 83.93 29  A 1 
ATOM   200  C CA  . ASN   A 1  29  ? 25.481  4.508   -8.443  1.00 83.68 29  A 1 
ATOM   201  C C   . ASN   A 1  29  ? 25.724  4.742   -9.935  1.00 84.08 29  A 1 
ATOM   202  O O   . ASN   A 1  29  ? 26.799  5.180   -10.336 1.00 78.45 29  A 1 
ATOM   203  C CB  . ASN   A 1  29  ? 26.819  4.265   -7.736  1.00 80.65 29  A 1 
ATOM   204  C CG  . ASN   A 1  29  ? 26.688  4.315   -6.228  1.00 74.62 29  A 1 
ATOM   205  O OD1 . ASN   A 1  29  ? 26.005  5.170   -5.675  1.00 65.13 29  A 1 
ATOM   206  N ND2 . ASN   A 1  29  ? 27.351  3.388   -5.548  1.00 64.73 29  A 1 
ATOM   207  N N   . LYS   A 1  30  ? 24.721  4.452   -10.754 1.00 82.60 30  A 1 
ATOM   208  C CA  . LYS   A 1  30  ? 24.819  4.699   -12.184 1.00 81.76 30  A 1 
ATOM   209  C C   . LYS   A 1  30  ? 23.437  4.840   -12.799 1.00 81.58 30  A 1 
ATOM   210  O O   . LYS   A 1  30  ? 22.455  4.311   -12.281 1.00 76.25 30  A 1 
ATOM   211  C CB  . LYS   A 1  30  ? 25.594  3.575   -12.879 1.00 77.84 30  A 1 
ATOM   212  C CG  . LYS   A 1  30  ? 24.921  2.217   -12.830 1.00 70.47 30  A 1 
ATOM   213  C CD  . LYS   A 1  30  ? 25.752  1.162   -13.544 1.00 65.70 30  A 1 
ATOM   214  C CE  . LYS   A 1  30  ? 25.077  -0.193  -13.520 1.00 56.77 30  A 1 
ATOM   215  N NZ  . LYS   A 1  30  ? 25.889  -1.229  -14.223 1.00 50.17 30  A 1 
ATOM   216  N N   . PHE   A 1  31  ? 23.377  5.566   -13.900 1.00 81.58 31  A 1 
ATOM   217  C CA  . PHE   A 1  31  ? 22.118  5.776   -14.594 1.00 80.95 31  A 1 
ATOM   218  C C   . PHE   A 1  31  ? 21.827  4.594   -15.511 1.00 81.63 31  A 1 
ATOM   219  O O   . PHE   A 1  31  ? 22.666  4.241   -16.342 1.00 77.58 31  A 1 
ATOM   220  C CB  . PHE   A 1  31  ? 22.181  7.070   -15.405 1.00 76.97 31  A 1 
ATOM   221  C CG  . PHE   A 1  31  ? 20.909  7.392   -16.136 1.00 73.77 31  A 1 
ATOM   222  C CD1 . PHE   A 1  31  ? 19.821  7.908   -15.454 1.00 67.97 31  A 1 
ATOM   223  C CD2 . PHE   A 1  31  ? 20.808  7.186   -17.500 1.00 67.64 31  A 1 
ATOM   224  C CE1 . PHE   A 1  31  ? 18.647  8.210   -16.120 1.00 62.27 31  A 1 
ATOM   225  C CE2 . PHE   A 1  31  ? 19.633  7.486   -18.173 1.00 61.93 31  A 1 
ATOM   226  C CZ  . PHE   A 1  31  ? 18.550  7.998   -17.482 1.00 63.38 31  A 1 
ATOM   227  N N   . PRO   A 1  32  ? 20.658  3.995   -15.378 1.00 80.07 32  A 1 
ATOM   228  C CA  . PRO   A 1  32  ? 20.314  2.859   -16.235 1.00 78.07 32  A 1 
ATOM   229  C C   . PRO   A 1  32  ? 20.105  3.313   -17.680 1.00 79.17 32  A 1 
ATOM   230  O O   . PRO   A 1  32  ? 19.184  4.074   -17.970 1.00 75.64 32  A 1 
ATOM   231  C CB  . PRO   A 1  32  ? 19.018  2.338   -15.616 1.00 73.36 32  A 1 
ATOM   232  C CG  . PRO   A 1  32  ? 18.420  3.523   -14.943 1.00 71.94 32  A 1 
ATOM   233  C CD  . PRO   A 1  32  ? 19.592  4.304   -14.416 1.00 76.15 32  A 1 
ATOM   234  N N   . THR   A 1  33  ? 20.960  2.845   -18.572 1.00 78.74 33  A 1 
ATOM   235  C CA  . THR   A 1  33  ? 20.924  3.281   -19.964 1.00 77.33 33  A 1 
ATOM   236  C C   . THR   A 1  33  ? 20.099  2.389   -20.884 1.00 77.32 33  A 1 
ATOM   237  O O   . THR   A 1  33  ? 19.402  2.886   -21.766 1.00 72.38 33  A 1 
ATOM   238  C CB  . THR   A 1  33  ? 22.344  3.369   -20.534 1.00 73.57 33  A 1 
ATOM   239  O OG1 . THR   A 1  33  ? 22.996  2.100   -20.395 1.00 66.10 33  A 1 
ATOM   240  C CG2 . THR   A 1  33  ? 23.150  4.432   -19.805 1.00 63.70 33  A 1 
ATOM   241  N N   . ASP   A 1  34  ? 20.190  1.089   -20.691 1.00 77.55 34  A 1 
ATOM   242  C CA  . ASP   A 1  34  ? 19.529  0.168   -21.609 1.00 75.75 34  A 1 
ATOM   243  C C   . ASP   A 1  34  ? 18.082  -0.137  -21.245 1.00 75.72 34  A 1 
ATOM   244  O O   . ASP   A 1  34  ? 17.166  0.130   -22.020 1.00 71.27 34  A 1 
ATOM   245  C CB  . ASP   A 1  34  ? 20.322  -1.136  -21.696 1.00 72.40 34  A 1 
ATOM   246  C CG  . ASP   A 1  34  ? 21.716  -0.925  -22.255 1.00 65.77 34  A 1 
ATOM   247  O OD1 . ASP   A 1  34  ? 21.906  0.024   -23.036 1.00 59.20 34  A 1 
ATOM   248  O OD2 . ASP   A 1  34  ? 22.619  -1.713  -21.909 1.00 59.17 34  A 1 
ATOM   249  N N   . TYR   A 1  35  ? 17.894  -0.706  -20.078 1.00 77.98 35  A 1 
ATOM   250  C CA  . TYR   A 1  35  ? 16.558  -1.126  -19.677 1.00 76.70 35  A 1 
ATOM   251  C C   . TYR   A 1  35  ? 16.224  -0.667  -18.264 1.00 78.39 35  A 1 
ATOM   252  O O   . TYR   A 1  35  ? 17.002  -0.874  -17.335 1.00 75.30 35  A 1 
ATOM   253  C CB  . TYR   A 1  35  ? 16.438  -2.648  -19.771 1.00 72.70 35  A 1 
ATOM   254  C CG  . TYR   A 1  35  ? 15.150  -3.207  -19.205 1.00 67.91 35  A 1 
ATOM   255  C CD1 . TYR   A 1  35  ? 13.948  -3.056  -19.881 1.00 61.39 35  A 1 
ATOM   256  C CD2 . TYR   A 1  35  ? 15.139  -3.888  -17.996 1.00 61.82 35  A 1 
ATOM   257  C CE1 . TYR   A 1  35  ? 12.766  -3.564  -19.371 1.00 54.70 35  A 1 
ATOM   258  C CE2 . TYR   A 1  35  ? 13.957  -4.400  -17.474 1.00 55.99 35  A 1 
ATOM   259  C CZ  . TYR   A 1  35  ? 12.776  -4.235  -18.168 1.00 55.86 35  A 1 
ATOM   260  O OH  . TYR   A 1  35  ? 11.602  -4.737  -17.653 1.00 51.28 35  A 1 
ATOM   261  N N   . ILE   A 1  36  ? 15.067  -0.042  -18.142 1.00 78.92 36  A 1 
ATOM   262  C CA  . ILE   A 1  36  ? 14.574  0.381   -16.839 1.00 78.83 36  A 1 
ATOM   263  C C   . ILE   A 1  36  ? 13.337  -0.447  -16.520 1.00 79.18 36  A 1 
ATOM   264  O O   . ILE   A 1  36  ? 12.330  -0.351  -17.226 1.00 75.12 36  A 1 
ATOM   265  C CB  . ILE   A 1  36  ? 14.212  1.874   -16.822 1.00 75.80 36  A 1 
ATOM   266  C CG1 . ILE   A 1  36  ? 15.446  2.717   -17.145 1.00 69.19 36  A 1 
ATOM   267  C CG2 . ILE   A 1  36  ? 13.635  2.260   -15.468 1.00 66.85 36  A 1 
ATOM   268  C CD1 . ILE   A 1  36  ? 15.167  4.199   -17.247 1.00 61.41 36  A 1 
ATOM   269  N N   . PRO   A 1  37  ? 13.399  -1.255  -15.477 1.00 79.87 37  A 1 
ATOM   270  C CA  . PRO   A 1  37  ? 12.251  -2.090  -15.126 1.00 78.45 37  A 1 
ATOM   271  C C   . PRO   A 1  37  ? 11.053  -1.256  -14.684 1.00 79.29 37  A 1 
ATOM   272  O O   . PRO   A 1  37  ? 11.201  -0.103  -14.279 1.00 76.38 37  A 1 
ATOM   273  C CB  . PRO   A 1  37  ? 12.779  -2.954  -13.982 1.00 75.00 37  A 1 
ATOM   274  C CG  . PRO   A 1  37  ? 13.859  -2.134  -13.377 1.00 73.15 37  A 1 
ATOM   275  C CD  . PRO   A 1  37  ? 14.511  -1.438  -14.535 1.00 76.19 37  A 1 
ATOM   276  N N   . THR   A 1  38  ? 9.882   -1.851  -14.786 1.00 78.65 38  A 1 
ATOM   277  C CA  . THR   A 1  38  ? 8.650   -1.167  -14.414 1.00 76.23 38  A 1 
ATOM   278  C C   . THR   A 1  38  ? 8.638   -0.802  -12.935 1.00 76.87 38  A 1 
ATOM   279  O O   . THR   A 1  38  ? 8.166   0.266   -12.552 1.00 72.61 38  A 1 
ATOM   280  C CB  . THR   A 1  38  ? 7.431   -2.044  -14.729 1.00 71.53 38  A 1 
ATOM   281  O OG1 . THR   A 1  38  ? 7.442   -2.405  -16.112 1.00 64.19 38  A 1 
ATOM   282  C CG2 . THR   A 1  38  ? 6.137   -1.310  -14.413 1.00 61.71 38  A 1 
ATOM   283  N N   . VAL   A 1  39  ? 9.164   -1.695  -12.128 1.00 75.20 39  A 1 
ATOM   284  C CA  . VAL   A 1  39  ? 9.221   -1.447  -10.695 1.00 75.77 39  A 1 
ATOM   285  C C   . VAL   A 1  39  ? 10.592  -1.796  -10.136 1.00 76.84 39  A 1 
ATOM   286  O O   . VAL   A 1  39  ? 11.326  -2.604  -10.704 1.00 73.10 39  A 1 
ATOM   287  C CB  . VAL   A 1  39  ? 8.156   -2.256  -9.927  1.00 71.30 39  A 1 
ATOM   288  C CG1 . VAL   A 1  39  ? 6.765   -1.902  -10.420 1.00 62.55 39  A 1 
ATOM   289  C CG2 . VAL   A 1  39  ? 8.412   -3.747  -10.062 1.00 63.81 39  A 1 
ATOM   290  N N   . PHE   A 1  40  ? 10.900  -1.174  -9.026  1.00 79.14 40  A 1 
ATOM   291  C CA  . PHE   A 1  40  ? 12.133  -1.440  -8.310  1.00 78.87 40  A 1 
ATOM   292  C C   . PHE   A 1  40  ? 11.754  -2.334  -7.137  1.00 80.40 40  A 1 
ATOM   293  O O   . PHE   A 1  40  ? 11.004  -1.913  -6.259  1.00 75.92 40  A 1 
ATOM   294  C CB  . PHE   A 1  40  ? 12.741  -0.124  -7.825  1.00 75.60 40  A 1 
ATOM   295  C CG  . PHE   A 1  40  ? 13.975  -0.291  -6.990  1.00 74.94 40  A 1 
ATOM   296  C CD1 . PHE   A 1  40  ? 15.214  -0.453  -7.585  1.00 69.08 40  A 1 
ATOM   297  C CD2 . PHE   A 1  40  ? 13.899  -0.267  -5.609  1.00 69.38 40  A 1 
ATOM   298  C CE1 . PHE   A 1  40  ? 16.356  -0.596  -6.814  1.00 65.47 40  A 1 
ATOM   299  C CE2 . PHE   A 1  40  ? 15.036  -0.414  -4.830  1.00 65.45 40  A 1 
ATOM   300  C CZ  . PHE   A 1  40  ? 16.266  -0.577  -5.433  1.00 69.51 40  A 1 
ATOM   301  N N   . ASP   A 1  41  ? 12.251  -3.546  -7.151  1.00 82.38 41  A 1 
ATOM   302  C CA  . ASP   A 1  41  ? 11.898  -4.490  -6.104  1.00 81.01 41  A 1 
ATOM   303  C C   . ASP   A 1  41  ? 12.421  -4.013  -4.750  1.00 82.05 41  A 1 
ATOM   304  O O   . ASP   A 1  41  ? 13.406  -3.280  -4.681  1.00 77.44 41  A 1 
ATOM   305  C CB  . ASP   A 1  41  ? 12.453  -5.875  -6.430  1.00 77.19 41  A 1 
ATOM   306  C CG  . ASP   A 1  41  ? 11.726  -6.983  -5.687  1.00 71.37 41  A 1 
ATOM   307  O OD1 . ASP   A 1  41  ? 10.813  -6.682  -4.893  1.00 63.66 41  A 1 
ATOM   308  O OD2 . ASP   A 1  41  ? 12.067  -8.161  -5.908  1.00 63.47 41  A 1 
ATOM   309  N N   . ASN   A 1  42  ? 11.749  -4.433  -3.705  1.00 83.05 42  A 1 
ATOM   310  C CA  . ASN   A 1  42  ? 12.129  -4.011  -2.364  1.00 82.62 42  A 1 
ATOM   311  C C   . ASN   A 1  42  ? 13.604  -4.283  -2.097  1.00 82.97 42  A 1 
ATOM   312  O O   . ASN   A 1  42  ? 14.133  -5.329  -2.472  1.00 77.65 42  A 1 
ATOM   313  C CB  . ASN   A 1  42  ? 11.262  -4.703  -1.323  1.00 78.90 42  A 1 
ATOM   314  C CG  . ASN   A 1  42  ? 9.807   -4.286  -1.411  1.00 72.29 42  A 1 
ATOM   315  O OD1 . ASN   A 1  42  ? 9.483   -3.231  -1.953  1.00 62.61 42  A 1 
ATOM   316  N ND2 . ASN   A 1  42  ? 8.927   -5.118  -0.872  1.00 65.40 42  A 1 
ATOM   317  N N   . PHE   A 1  43  ? 14.226  -3.333  -1.452  1.00 85.30 43  A 1 
ATOM   318  C CA  . PHE   A 1  43  ? 15.662  -3.368  -1.249  1.00 85.11 43  A 1 
ATOM   319  C C   . PHE   A 1  43  ? 16.021  -2.982  0.183   1.00 86.32 43  A 1 
ATOM   320  O O   . PHE   A 1  43  ? 15.375  -2.123  0.781   1.00 83.47 43  A 1 
ATOM   321  C CB  . PHE   A 1  43  ? 16.326  -2.407  -2.244  1.00 81.58 43  A 1 
ATOM   322  C CG  . PHE   A 1  43  ? 17.814  -2.287  -2.104  1.00 76.86 43  A 1 
ATOM   323  C CD1 . PHE   A 1  43  ? 18.658  -3.162  -2.765  1.00 70.74 43  A 1 
ATOM   324  C CD2 . PHE   A 1  43  ? 18.370  -1.288  -1.326  1.00 68.96 43  A 1 
ATOM   325  C CE1 . PHE   A 1  43  ? 20.032  -3.040  -2.652  1.00 64.75 43  A 1 
ATOM   326  C CE2 . PHE   A 1  43  ? 19.748  -1.162  -1.200  1.00 63.33 43  A 1 
ATOM   327  C CZ  . PHE   A 1  43  ? 20.578  -2.041  -1.865  1.00 63.84 43  A 1 
ATOM   328  N N   . SER   A 1  44  ? 17.049  -3.610  0.711   1.00 86.45 44  A 1 
ATOM   329  C CA  . SER   A 1  44  ? 17.532  -3.293  2.047   1.00 85.92 44  A 1 
ATOM   330  C C   . SER   A 1  44  ? 19.049  -3.212  2.031   1.00 85.98 44  A 1 
ATOM   331  O O   . SER   A 1  44  ? 19.712  -4.040  1.407   1.00 82.08 44  A 1 
ATOM   332  C CB  . SER   A 1  44  ? 17.093  -4.345  3.057   1.00 82.67 44  A 1 
ATOM   333  O OG  . SER   A 1  44  ? 15.691  -4.351  3.216   1.00 69.61 44  A 1 
ATOM   334  N N   . ALA   A 1  45  ? 19.576  -2.216  2.710   1.00 85.73 45  A 1 
ATOM   335  C CA  . ALA   A 1  45  ? 21.016  -2.047  2.770   1.00 85.08 45  A 1 
ATOM   336  C C   . ALA   A 1  45  ? 21.413  -1.200  3.967   1.00 86.15 45  A 1 
ATOM   337  O O   . ALA   A 1  45  ? 20.633  -0.376  4.446   1.00 83.58 45  A 1 
ATOM   338  C CB  . ALA   A 1  45  ? 21.530  -1.407  1.493   1.00 82.02 45  A 1 
ATOM   339  N N   . ASN   A 1  46  ? 22.620  -1.413  4.429   1.00 87.22 46  A 1 
ATOM   340  C CA  . ASN   A 1  46  ? 23.149  -0.604  5.514   1.00 86.98 46  A 1 
ATOM   341  C C   . ASN   A 1  46  ? 23.740  0.669   4.929   1.00 87.05 46  A 1 
ATOM   342  O O   . ASN   A 1  46  ? 24.575  0.617   4.029   1.00 84.07 46  A 1 
ATOM   343  C CB  . ASN   A 1  46  ? 24.210  -1.377  6.287   1.00 85.16 46  A 1 
ATOM   344  C CG  . ASN   A 1  46  ? 23.629  -2.546  7.054   1.00 81.76 46  A 1 
ATOM   345  O OD1 . ASN   A 1  46  ? 22.520  -2.472  7.579   1.00 72.58 46  A 1 
ATOM   346  N ND2 . ASN   A 1  46  ? 24.379  -3.638  7.124   1.00 73.02 46  A 1 
ATOM   347  N N   . VAL   A 1  47  ? 23.293  1.799   5.442   1.00 87.37 47  A 1 
ATOM   348  C CA  . VAL   A 1  47  ? 23.741  3.094   4.948   1.00 86.99 47  A 1 
ATOM   349  C C   . VAL   A 1  47  ? 24.295  3.926   6.096   1.00 86.94 47  A 1 
ATOM   350  O O   . VAL   A 1  47  ? 23.701  3.988   7.170   1.00 84.76 47  A 1 
ATOM   351  C CB  . VAL   A 1  47  ? 22.590  3.856   4.268   1.00 85.77 47  A 1 
ATOM   352  C CG1 . VAL   A 1  47  ? 23.072  5.205   3.750   1.00 76.83 47  A 1 
ATOM   353  C CG2 . VAL   A 1  47  ? 22.002  3.029   3.134   1.00 77.54 47  A 1 
ATOM   354  N N   . ALA   A 1  48  ? 25.426  4.564   5.848   1.00 87.68 48  A 1 
ATOM   355  C CA  . ALA   A 1  48  ? 26.043  5.417   6.851   1.00 87.08 48  A 1 
ATOM   356  C C   . ALA   A 1  48  ? 25.714  6.880   6.584   1.00 87.21 48  A 1 
ATOM   357  O O   . ALA   A 1  48  ? 26.023  7.410   5.518   1.00 84.07 48  A 1 
ATOM   358  C CB  . ALA   A 1  48  ? 27.551  5.209   6.865   1.00 84.81 48  A 1 
ATOM   359  N N   . VAL   A 1  49  ? 25.088  7.513   7.555   1.00 85.67 49  A 1 
ATOM   360  C CA  . VAL   A 1  49  ? 24.735  8.925   7.454   1.00 85.43 49  A 1 
ATOM   361  C C   . VAL   A 1  49  ? 25.062  9.607   8.780   1.00 85.00 49  A 1 
ATOM   362  O O   . VAL   A 1  49  ? 24.600  9.177   9.834   1.00 82.10 49  A 1 
ATOM   363  C CB  . VAL   A 1  49  ? 23.242  9.120   7.130   1.00 84.06 49  A 1 
ATOM   364  C CG1 . VAL   A 1  49  ? 22.903  10.603  7.089   1.00 74.94 49  A 1 
ATOM   365  C CG2 . VAL   A 1  49  ? 22.899  8.462   5.803   1.00 75.76 49  A 1 
ATOM   366  N N   . ASP   A 1  50  ? 25.853  10.664  8.697   1.00 83.57 50  A 1 
ATOM   367  C CA  . ASP   A 1  50  ? 26.255  11.414  9.886   1.00 83.02 50  A 1 
ATOM   368  C C   . ASP   A 1  50  ? 26.901  10.518  10.944  1.00 83.31 50  A 1 
ATOM   369  O O   . ASP   A 1  50  ? 26.673  10.676  12.144  1.00 78.13 50  A 1 
ATOM   370  C CB  . ASP   A 1  50  ? 25.059  12.158  10.492  1.00 80.56 50  A 1 
ATOM   371  C CG  . ASP   A 1  50  ? 24.518  13.236  9.570   1.00 75.01 50  A 1 
ATOM   372  O OD1 . ASP   A 1  50  ? 25.264  13.694  8.682   1.00 67.52 50  A 1 
ATOM   373  O OD2 . ASP   A 1  50  ? 23.347  13.624  9.739   1.00 67.52 50  A 1 
ATOM   374  N N   . GLY   A 1  51  ? 27.699  9.581   10.477  1.00 84.54 51  A 1 
ATOM   375  C CA  . GLY   A 1  51  ? 28.395  8.690   11.392  1.00 83.69 51  A 1 
ATOM   376  C C   . GLY   A 1  51  ? 27.533  7.588   11.982  1.00 84.45 51  A 1 
ATOM   377  O O   . GLY   A 1  51  ? 28.005  6.808   12.806  1.00 80.69 51  A 1 
ATOM   378  N N   . GLN   A 1  52  ? 26.287  7.533   11.569  1.00 85.80 52  A 1 
ATOM   379  C CA  . GLN   A 1  52  ? 25.370  6.510   12.057  1.00 85.36 52  A 1 
ATOM   380  C C   . GLN   A 1  52  ? 25.046  5.522   10.948  1.00 86.05 52  A 1 
ATOM   381  O O   . GLN   A 1  52  ? 24.795  5.917   9.812   1.00 82.95 52  A 1 
ATOM   382  C CB  . GLN   A 1  52  ? 24.076  7.138   12.571  1.00 82.73 52  A 1 
ATOM   383  C CG  . GLN   A 1  52  ? 24.244  8.005   13.803  1.00 74.59 52  A 1 
ATOM   384  C CD  . GLN   A 1  52  ? 22.934  8.620   14.257  1.00 71.58 52  A 1 
ATOM   385  O OE1 . GLN   A 1  52  ? 22.202  9.201   13.458  1.00 64.97 52  A 1 
ATOM   386  N NE2 . GLN   A 1  52  ? 22.629  8.496   15.538  1.00 62.36 52  A 1 
ATOM   387  N N   . ILE   A 1  53  ? 25.055  4.253   11.291  1.00 87.37 53  A 1 
ATOM   388  C CA  . ILE   A 1  53  ? 24.714  3.219   10.324  1.00 87.12 53  A 1 
ATOM   389  C C   . ILE   A 1  53  ? 23.277  2.771   10.554  1.00 87.49 53  A 1 
ATOM   390  O O   . ILE   A 1  53  ? 22.918  2.342   11.650  1.00 84.29 53  A 1 
ATOM   391  C CB  . ILE   A 1  53  ? 25.660  2.011   10.432  1.00 84.61 53  A 1 
ATOM   392  C CG1 . ILE   A 1  53  ? 27.099  2.445   10.147  1.00 74.88 53  A 1 
ATOM   393  C CG2 . ILE   A 1  53  ? 25.227  0.910   9.472   1.00 71.60 53  A 1 
ATOM   394  C CD1 . ILE   A 1  53  ? 28.128  1.346   10.332  1.00 65.03 53  A 1 
ATOM   395  N N   . VAL   A 1  54  ? 22.476  2.878   9.515   1.00 88.01 54  A 1 
ATOM   396  C CA  . VAL   A 1  54  ? 21.085  2.454   9.597   1.00 88.30 54  A 1 
ATOM   397  C C   . VAL   A 1  54  ? 20.798  1.433   8.512   1.00 88.51 54  A 1 
ATOM   398  O O   . VAL   A 1  54  ? 21.451  1.419   7.469   1.00 86.41 54  A 1 
ATOM   399  C CB  . VAL   A 1  54  ? 20.104  3.634   9.445   1.00 87.03 54  A 1 
ATOM   400  C CG1 . VAL   A 1  54  ? 20.370  4.690   10.506  1.00 77.07 54  A 1 
ATOM   401  C CG2 . VAL   A 1  54  ? 20.198  4.240   8.051   1.00 77.70 54  A 1 
ATOM   402  N N   . ASN   A 1  55  ? 19.828  0.591   8.774   1.00 89.26 55  A 1 
ATOM   403  C CA  . ASN   A 1  55  ? 19.392  -0.368  7.774   1.00 89.59 55  A 1 
ATOM   404  C C   . ASN   A 1  55  ? 18.244  0.283   7.015   1.00 89.78 55  A 1 
ATOM   405  O O   . ASN   A 1  55  ? 17.151  0.443   7.557   1.00 87.59 55  A 1 
ATOM   406  C CB  . ASN   A 1  55  ? 18.947  -1.670  8.431   1.00 87.61 55  A 1 
ATOM   407  C CG  . ASN   A 1  55  ? 18.659  -2.759  7.423   1.00 82.61 55  A 1 
ATOM   408  O OD1 . ASN   A 1  55  ? 17.602  -2.781  6.803   1.00 70.92 55  A 1 
ATOM   409  N ND2 . ASN   A 1  55  ? 19.609  -3.661  7.246   1.00 71.99 55  A 1 
ATOM   410  N N   . LEU   A 1  56  ? 18.514  0.671   5.783   1.00 89.01 56  A 1 
ATOM   411  C CA  . LEU   A 1  56  ? 17.527  1.380   4.979   1.00 89.63 56  A 1 
ATOM   412  C C   . LEU   A 1  56  ? 16.752  0.443   4.067   1.00 89.74 56  A 1 
ATOM   413  O O   . LEU   A 1  56  ? 17.334  -0.242  3.230   1.00 87.78 56  A 1 
ATOM   414  C CB  . LEU   A 1  56  ? 18.211  2.453   4.136   1.00 88.69 56  A 1 
ATOM   415  C CG  . LEU   A 1  56  ? 17.303  3.288   3.223   1.00 87.60 56  A 1 
ATOM   416  C CD1 . LEU   A 1  56  ? 16.350  4.131   4.047   1.00 81.02 56  A 1 
ATOM   417  C CD2 . LEU   A 1  56  ? 18.145  4.175   2.314   1.00 81.91 56  A 1 
ATOM   418  N N   . GLY   A 1  57  ? 15.441  0.439   4.238   1.00 91.01 57  A 1 
ATOM   419  C CA  . GLY   A 1  57  ? 14.574  -0.338  3.383   1.00 90.93 57  A 1 
ATOM   420  C C   . GLY   A 1  57  ? 13.927  0.590   2.378   1.00 91.65 57  A 1 
ATOM   421  O O   . GLY   A 1  57  ? 13.393  1.633   2.750   1.00 89.71 57  A 1 
ATOM   422  N N   . LEU   A 1  58  ? 13.990  0.212   1.105   1.00 90.07 58  A 1 
ATOM   423  C CA  . LEU   A 1  58  ? 13.424  1.037   0.045   1.00 89.95 58  A 1 
ATOM   424  C C   . LEU   A 1  58  ? 12.245  0.353   -0.629  1.00 89.71 58  A 1 
ATOM   425  O O   . LEU   A 1  58  ? 12.371  -0.764  -1.128  1.00 87.11 58  A 1 
ATOM   426  C CB  . LEU   A 1  58  ? 14.487  1.365   -1.004  1.00 88.66 58  A 1 
ATOM   427  C CG  . LEU   A 1  58  ? 15.699  2.162   -0.520  1.00 86.52 58  A 1 
ATOM   428  C CD1 . LEU   A 1  58  ? 16.733  2.282   -1.630  1.00 81.23 58  A 1 
ATOM   429  C CD2 . LEU   A 1  58  ? 15.269  3.547   -0.051  1.00 82.59 58  A 1 
ATOM   430  N N   . TRP   A 1  59  ? 11.113  1.051   -0.655  1.00 91.22 59  A 1 
ATOM   431  C CA  . TRP   A 1  59  ? 9.904   0.556   -1.298  1.00 90.81 59  A 1 
ATOM   432  C C   . TRP   A 1  59  ? 9.576   1.444   -2.488  1.00 90.31 59  A 1 
ATOM   433  O O   . TRP   A 1  59  ? 9.577   2.668   -2.374  1.00 87.11 59  A 1 
ATOM   434  C CB  . TRP   A 1  59  ? 8.716   0.590   -0.339  1.00 89.41 59  A 1 
ATOM   435  C CG  . TRP   A 1  59  ? 8.534   -0.621  0.520   1.00 87.13 59  A 1 
ATOM   436  C CD1 . TRP   A 1  59  ? 7.569   -1.574  0.395   1.00 77.41 59  A 1 
ATOM   437  C CD2 . TRP   A 1  59  ? 9.316   -0.998  1.658   1.00 82.98 59  A 1 
ATOM   438  N NE1 . TRP   A 1  59  ? 7.700   -2.520  1.379   1.00 76.92 59  A 1 
ATOM   439  C CE2 . TRP   A 1  59  ? 8.763   -2.198  2.172   1.00 80.74 59  A 1 
ATOM   440  C CE3 . TRP   A 1  59  ? 10.435  -0.453  2.303   1.00 75.85 59  A 1 
ATOM   441  C CZ2 . TRP   A 1  59  ? 9.291   -2.845  3.293   1.00 79.39 59  A 1 
ATOM   442  C CZ3 . TRP   A 1  59  ? 10.956  -1.106  3.418   1.00 71.33 59  A 1 
ATOM   443  C CH2 . TRP   A 1  59  ? 10.386  -2.280  3.896   1.00 73.28 59  A 1 
ATOM   444  N N   . ASP   A 1  60  ? 9.275   0.807   -3.613  1.00 88.81 60  A 1 
ATOM   445  C CA  . ASP   A 1  60  ? 8.861   1.525   -4.806  1.00 87.90 60  A 1 
ATOM   446  C C   . ASP   A 1  60  ? 7.373   1.271   -5.014  1.00 87.62 60  A 1 
ATOM   447  O O   . ASP   A 1  60  ? 6.910   0.150   -4.819  1.00 83.45 60  A 1 
ATOM   448  C CB  . ASP   A 1  60  ? 9.656   1.024   -6.015  1.00 85.74 60  A 1 
ATOM   449  C CG  . ASP   A 1  60  ? 9.455   1.882   -7.258  1.00 83.72 60  A 1 
ATOM   450  O OD1 . ASP   A 1  60  ? 8.745   2.904   -7.180  1.00 77.56 60  A 1 
ATOM   451  O OD2 . ASP   A 1  60  ? 10.024  1.532   -8.312  1.00 78.39 60  A 1 
ATOM   452  N N   . THR   A 1  61  ? 6.634   2.307   -5.384  1.00 87.76 61  A 1 
ATOM   453  C CA  . THR   A 1  61  ? 5.213   2.128   -5.661  1.00 86.23 61  A 1 
ATOM   454  C C   . THR   A 1  61  ? 4.926   2.201   -7.155  1.00 84.45 61  A 1 
ATOM   455  O O   . THR   A 1  61  ? 3.769   2.166   -7.568  1.00 77.29 61  A 1 
ATOM   456  C CB  . THR   A 1  61  ? 4.347   3.175   -4.938  1.00 84.91 61  A 1 
ATOM   457  O OG1 . THR   A 1  61  ? 4.713   4.484   -5.367  1.00 76.05 61  A 1 
ATOM   458  C CG2 . THR   A 1  61  ? 4.506   3.052   -3.429  1.00 74.44 61  A 1 
ATOM   459  N N   . ALA   A 1  62  ? 5.988   2.293   -7.944  1.00 84.66 62  A 1 
ATOM   460  C CA  . ALA   A 1  62  ? 5.821   2.308   -9.390  1.00 82.36 62  A 1 
ATOM   461  C C   . ALA   A 1  62  ? 5.115   1.033   -9.837  1.00 81.78 62  A 1 
ATOM   462  O O   . ALA   A 1  62  ? 5.398   -0.054  -9.331  1.00 75.07 62  A 1 
ATOM   463  C CB  . ALA   A 1  62  ? 7.173   2.428   -10.076 1.00 78.46 62  A 1 
ATOM   464  N N   . GLY   A 1  63  ? 4.192   1.191   -10.767 1.00 81.36 63  A 1 
ATOM   465  C CA  . GLY   A 1  63  ? 3.415   0.058   -11.234 1.00 79.02 63  A 1 
ATOM   466  C C   . GLY   A 1  63  ? 2.106   -0.087  -10.492 1.00 80.57 63  A 1 
ATOM   467  O O   . GLY   A 1  63  ? 1.225   -0.832  -10.919 1.00 74.99 63  A 1 
ATOM   468  N N   . GLN   A 1  64  ? 1.977   0.620   -9.384  1.00 82.83 64  A 1 
ATOM   469  C CA  . GLN   A 1  64  ? 0.755   0.578   -8.588  1.00 81.88 64  A 1 
ATOM   470  C C   . GLN   A 1  64  ? 0.002   1.907   -8.624  1.00 83.43 64  A 1 
ATOM   471  O O   . GLN   A 1  64  ? -0.930  2.107   -7.851  1.00 78.79 64  A 1 
ATOM   472  C CB  . GLN   A 1  64  ? 1.066   0.222   -7.132  1.00 77.98 64  A 1 
ATOM   473  C CG  . GLN   A 1  64  ? 1.546   -1.197  -6.918  1.00 71.19 64  A 1 
ATOM   474  C CD  . GLN   A 1  64  ? 1.713   -1.514  -5.448  1.00 67.69 64  A 1 
ATOM   475  O OE1 . GLN   A 1  64  ? 2.349   -0.760  -4.714  1.00 62.00 64  A 1 
ATOM   476  N NE2 . GLN   A 1  64  ? 1.135   -2.627  -5.009  1.00 58.17 64  A 1 
ATOM   477  N N   . GLU   A 1  65  ? 0.396   2.793   -9.509  1.00 81.42 65  A 1 
ATOM   478  C CA  . GLU   A 1  65  ? -0.223  4.113   -9.582  1.00 80.37 65  A 1 
ATOM   479  C C   . GLU   A 1  65  ? -1.723  4.046   -9.875  1.00 82.10 65  A 1 
ATOM   480  O O   . GLU   A 1  65  ? -2.466  4.952   -9.511  1.00 78.12 65  A 1 
ATOM   481  C CB  . GLU   A 1  65  ? 0.461   4.981   -10.637 1.00 77.75 65  A 1 
ATOM   482  C CG  . GLU   A 1  65  ? 1.900   5.366   -10.306 1.00 71.31 65  A 1 
ATOM   483  C CD  . GLU   A 1  65  ? 2.916   4.361   -10.811 1.00 64.69 65  A 1 
ATOM   484  O OE1 . GLU   A 1  65  ? 2.517   3.259   -11.232 1.00 59.80 65  A 1 
ATOM   485  O OE2 . GLU   A 1  65  ? 4.123   4.682   -10.796 1.00 58.98 65  A 1 
ATOM   486  N N   . ASP   A 1  66  ? -2.144  2.983   -10.519 1.00 82.13 66  A 1 
ATOM   487  C CA  . ASP   A 1  66  ? -3.554  2.841   -10.872 1.00 81.62 66  A 1 
ATOM   488  C C   . ASP   A 1  66  ? -4.366  2.063   -9.839  1.00 83.22 66  A 1 
ATOM   489  O O   . ASP   A 1  66  ? -5.559  1.838   -10.029 1.00 79.07 66  A 1 
ATOM   490  C CB  . ASP   A 1  66  ? -3.694  2.157   -12.234 1.00 78.20 66  A 1 
ATOM   491  C CG  . ASP   A 1  66  ? -3.143  2.994   -13.372 1.00 71.16 66  A 1 
ATOM   492  O OD1 . ASP   A 1  66  ? -3.141  4.235   -13.253 1.00 64.38 66  A 1 
ATOM   493  O OD2 . ASP   A 1  66  ? -2.724  2.407   -14.388 1.00 63.52 66  A 1 
ATOM   494  N N   . TYR   A 1  67  ? -3.730  1.663   -8.762  1.00 84.75 67  A 1 
ATOM   495  C CA  . TYR   A 1  67  ? -4.412  0.867   -7.744  1.00 85.45 67  A 1 
ATOM   496  C C   . TYR   A 1  67  ? -4.422  1.585   -6.395  1.00 86.62 67  A 1 
ATOM   497  O O   . TYR   A 1  67  ? -3.627  1.282   -5.506  1.00 83.59 67  A 1 
ATOM   498  C CB  . TYR   A 1  67  ? -3.746  -0.502  -7.623  1.00 83.00 67  A 1 
ATOM   499  C CG  . TYR   A 1  67  ? -3.798  -1.299  -8.909  1.00 79.60 67  A 1 
ATOM   500  C CD1 . TYR   A 1  67  ? -4.928  -2.025  -9.252  1.00 74.12 67  A 1 
ATOM   501  C CD2 . TYR   A 1  67  ? -2.725  -1.309  -9.789  1.00 73.66 67  A 1 
ATOM   502  C CE1 . TYR   A 1  67  ? -4.990  -2.743  -10.435 1.00 70.83 67  A 1 
ATOM   503  C CE2 . TYR   A 1  67  ? -2.780  -2.021  -10.979 1.00 69.97 67  A 1 
ATOM   504  C CZ  . TYR   A 1  67  ? -3.915  -2.738  -11.295 1.00 71.54 67  A 1 
ATOM   505  O OH  . TYR   A 1  67  ? -3.976  -3.449  -12.474 1.00 68.28 67  A 1 
ATOM   506  N N   . SER   A 1  68  ? -5.335  2.516   -6.266  1.00 87.46 68  A 1 
ATOM   507  C CA  . SER   A 1  68  ? -5.431  3.329   -5.058  1.00 87.45 68  A 1 
ATOM   508  C C   . SER   A 1  68  ? -5.811  2.528   -3.818  1.00 88.24 68  A 1 
ATOM   509  O O   . SER   A 1  68  ? -5.517  2.947   -2.703  1.00 85.03 68  A 1 
ATOM   510  C CB  . SER   A 1  68  ? -6.443  4.457   -5.256  1.00 85.32 68  A 1 
ATOM   511  O OG  . SER   A 1  68  ? -7.742  3.944   -5.451  1.00 75.31 68  A 1 
ATOM   512  N N   . ARG   A 1  69  ? -6.463  1.395   -4.014  1.00 87.98 69  A 1 
ATOM   513  C CA  . ARG   A 1  69  ? -6.876  0.584   -2.874  1.00 87.75 69  A 1 
ATOM   514  C C   . ARG   A 1  69  ? -5.815  -0.428  -2.436  1.00 88.73 69  A 1 
ATOM   515  O O   . ARG   A 1  69  ? -5.928  -1.012  -1.360  1.00 85.39 69  A 1 
ATOM   516  C CB  . ARG   A 1  69  ? -8.191  -0.130  -3.180  1.00 85.61 69  A 1 
ATOM   517  C CG  . ARG   A 1  69  ? -9.384  0.814   -3.265  1.00 77.97 69  A 1 
ATOM   518  C CD  . ARG   A 1  69  ? -10.688 0.062   -3.393  1.00 75.05 69  A 1 
ATOM   519  N NE  . ARG   A 1  69  ? -11.850 0.949   -3.300  1.00 66.29 69  A 1 
ATOM   520  C CZ  . ARG   A 1  69  ? -12.384 1.588   -4.331  1.00 60.64 69  A 1 
ATOM   521  N NH1 . ARG   A 1  69  ? -11.879 1.443   -5.555  1.00 54.40 69  A 1 
ATOM   522  N NH2 . ARG   A 1  69  ? -13.429 2.385   -4.151  1.00 53.09 69  A 1 
ATOM   523  N N   . LEU   A 1  70  ? -4.794  -0.615  -3.250  1.00 86.57 70  A 1 
ATOM   524  C CA  . LEU   A 1  70  ? -3.731  -1.562  -2.910  1.00 86.88 70  A 1 
ATOM   525  C C   . LEU   A 1  70  ? -2.470  -0.855  -2.426  1.00 87.93 70  A 1 
ATOM   526  O O   . LEU   A 1  70  ? -1.798  -1.323  -1.504  1.00 84.58 70  A 1 
ATOM   527  C CB  . LEU   A 1  70  ? -3.383  -2.425  -4.121  1.00 84.49 70  A 1 
ATOM   528  C CG  . LEU   A 1  70  ? -4.490  -3.341  -4.648  1.00 79.88 70  A 1 
ATOM   529  C CD1 . LEU   A 1  70  ? -4.019  -4.058  -5.899  1.00 73.98 70  A 1 
ATOM   530  C CD2 . LEU   A 1  70  ? -4.906  -4.341  -3.582  1.00 73.64 70  A 1 
ATOM   531  N N   . ARG   A 1  71  ? -2.166  0.235   -3.053  1.00 87.05 71  A 1 
ATOM   532  C CA  . ARG   A 1  71  ? -0.971  1.024   -2.751  1.00 87.33 71  A 1 
ATOM   533  C C   . ARG   A 1  71  ? -0.784  1.333   -1.257  1.00 87.86 71  A 1 
ATOM   534  O O   . ARG   A 1  71  ? 0.331   1.215   -0.744  1.00 86.27 71  A 1 
ATOM   535  C CB  . ARG   A 1  71  ? -1.019  2.305   -3.586  1.00 85.52 71  A 1 
ATOM   536  C CG  . ARG   A 1  71  ? 0.219   3.136   -3.584  1.00 79.33 71  A 1 
ATOM   537  C CD  . ARG   A 1  71  ? 0.153   4.195   -4.678  1.00 80.51 71  A 1 
ATOM   538  N NE  . ARG   A 1  71  ? -1.061  5.006   -4.601  1.00 78.59 71  A 1 
ATOM   539  C CZ  . ARG   A 1  71  ? -2.000  5.084   -5.539  1.00 80.42 71  A 1 
ATOM   540  N NH1 . ARG   A 1  71  ? -1.895  4.391   -6.660  1.00 70.67 71  A 1 
ATOM   541  N NH2 . ARG   A 1  71  ? -3.057  5.864   -5.360  1.00 73.30 71  A 1 
ATOM   542  N N   . PRO   A 1  72  ? -1.853  1.715   -0.547  1.00 90.09 72  A 1 
ATOM   543  C CA  . PRO   A 1  72  ? -1.675  2.041   0.881   1.00 90.22 72  A 1 
ATOM   544  C C   . PRO   A 1  72  ? -1.177  0.887   1.745   1.00 90.61 72  A 1 
ATOM   545  O O   . PRO   A 1  72  ? -0.697  1.115   2.856   1.00 88.49 72  A 1 
ATOM   546  C CB  . PRO   A 1  72  ? -3.077  2.470   1.318   1.00 88.40 72  A 1 
ATOM   547  C CG  . PRO   A 1  72  ? -3.708  2.982   0.076   1.00 85.90 72  A 1 
ATOM   548  C CD  . PRO   A 1  72  ? -3.209  2.073   -1.000  1.00 88.94 72  A 1 
ATOM   549  N N   . LEU   A 1  73  ? -1.275  -0.321  1.246   1.00 90.45 73  A 1 
ATOM   550  C CA  . LEU   A 1  73  ? -0.793  -1.463  2.009   1.00 89.88 73  A 1 
ATOM   551  C C   . LEU   A 1  73  ? 0.715   -1.377  2.236   1.00 90.06 73  A 1 
ATOM   552  O O   . LEU   A 1  73  ? 1.235   -1.934  3.201   1.00 87.43 73  A 1 
ATOM   553  C CB  . LEU   A 1  73  ? -1.139  -2.770  1.292   1.00 88.56 73  A 1 
ATOM   554  C CG  . LEU   A 1  73  ? -2.635  -3.087  1.153   1.00 85.41 73  A 1 
ATOM   555  C CD1 . LEU   A 1  73  ? -2.836  -4.337  0.318   1.00 79.05 73  A 1 
ATOM   556  C CD2 . LEU   A 1  73  ? -3.279  -3.252  2.521   1.00 78.61 73  A 1 
ATOM   557  N N   . SER   A 1  74  ? 1.394   -0.682  1.349   1.00 90.20 74  A 1 
ATOM   558  C CA  . SER   A 1  74  ? 2.838   -0.505  1.477   1.00 89.72 74  A 1 
ATOM   559  C C   . SER   A 1  74  ? 3.198   0.578   2.492   1.00 90.32 74  A 1 
ATOM   560  O O   . SER   A 1  74  ? 4.361   0.714   2.860   1.00 88.42 74  A 1 
ATOM   561  C CB  . SER   A 1  74  ? 3.457   -0.143  0.130   1.00 88.07 74  A 1 
ATOM   562  O OG  . SER   A 1  74  ? 3.223   -1.151  -0.835  1.00 79.24 74  A 1 
ATOM   563  N N   . TYR   A 1  75  ? 2.213   1.348   2.918   1.00 90.36 75  A 1 
ATOM   564  C CA  . TYR   A 1  75  ? 2.465   2.472   3.816   1.00 90.57 75  A 1 
ATOM   565  C C   . TYR   A 1  75  ? 2.608   2.068   5.280   1.00 90.55 75  A 1 
ATOM   566  O O   . TYR   A 1  75  ? 3.178   2.815   6.078   1.00 87.19 75  A 1 
ATOM   567  C CB  . TYR   A 1  75  ? 1.341   3.506   3.714   1.00 89.57 75  A 1 
ATOM   568  C CG  . TYR   A 1  75  ? 1.155   4.126   2.347   1.00 89.43 75  A 1 
ATOM   569  C CD1 . TYR   A 1  75  ? 2.096   3.972   1.339   1.00 83.38 75  A 1 
ATOM   570  C CD2 . TYR   A 1  75  ? 0.027   4.895   2.071   1.00 84.21 75  A 1 
ATOM   571  C CE1 . TYR   A 1  75  ? 1.918   4.542   0.093   1.00 83.43 75  A 1 
ATOM   572  C CE2 . TYR   A 1  75  ? -0.160  5.473   0.833   1.00 83.42 75  A 1 
ATOM   573  C CZ  . TYR   A 1  75  ? 0.784   5.294   -0.157  1.00 86.11 75  A 1 
ATOM   574  O OH  . TYR   A 1  75  ? 0.596   5.864   -1.393  1.00 84.88 75  A 1 
ATOM   575  N N   . ARG   A 1  76  ? 2.080   0.902   5.633   1.00 91.69 76  A 1 
ATOM   576  C CA  . ARG   A 1  76  ? 2.135   0.478   7.027   1.00 91.42 76  A 1 
ATOM   577  C C   . ARG   A 1  76  ? 3.584   0.294   7.461   1.00 92.23 76  A 1 
ATOM   578  O O   . ARG   A 1  76  ? 4.363   -0.402  6.810   1.00 90.43 76  A 1 
ATOM   579  C CB  . ARG   A 1  76  ? 1.354   -0.823  7.227   1.00 89.67 76  A 1 
ATOM   580  C CG  . ARG   A 1  76  ? 1.313   -1.283  8.674   1.00 80.73 76  A 1 
ATOM   581  C CD  . ARG   A 1  76  ? 0.361   -2.452  8.873   1.00 76.11 76  A 1 
ATOM   582  N NE  . ARG   A 1  76  ? -1.034  -2.052  8.696   1.00 67.92 76  A 1 
ATOM   583  C CZ  . ARG   A 1  76  ? -1.769  -1.439  9.618   1.00 61.04 76  A 1 
ATOM   584  N NH1 . ARG   A 1  76  ? -1.256  -1.157  10.808  1.00 54.64 76  A 1 
ATOM   585  N NH2 . ARG   A 1  76  ? -3.026  -1.112  9.361   1.00 54.54 76  A 1 
ATOM   586  N N   . GLY   A 1  77  ? 3.920   0.933   8.553   1.00 91.14 77  A 1 
ATOM   587  C CA  . GLY   A 1  77  ? 5.272   0.844   9.074   1.00 91.56 77  A 1 
ATOM   588  C C   . GLY   A 1  77  ? 6.257   1.802   8.431   1.00 92.88 77  A 1 
ATOM   589  O O   . GLY   A 1  77  ? 7.436   1.797   8.775   1.00 90.82 77  A 1 
ATOM   590  N N   . ALA   A 1  78  ? 5.788   2.617   7.497   1.00 91.86 78  A 1 
ATOM   591  C CA  . ALA   A 1  78  ? 6.669   3.566   6.830   1.00 92.47 78  A 1 
ATOM   592  C C   . ALA   A 1  78  ? 7.197   4.606   7.818   1.00 92.55 78  A 1 
ATOM   593  O O   . ALA   A 1  78  ? 6.450   5.108   8.659   1.00 90.66 78  A 1 
ATOM   594  C CB  . ALA   A 1  78  ? 5.941   4.260   5.687   1.00 91.95 78  A 1 
ATOM   595  N N   . ASP   A 1  79  ? 8.483   4.902   7.710   1.00 93.23 79  A 1 
ATOM   596  C CA  . ASP   A 1  79  ? 9.105   5.906   8.568   1.00 92.94 79  A 1 
ATOM   597  C C   . ASP   A 1  79  ? 9.250   7.238   7.843   1.00 93.31 79  A 1 
ATOM   598  O O   . ASP   A 1  79  ? 9.310   8.290   8.476   1.00 91.27 79  A 1 
ATOM   599  C CB  . ASP   A 1  79  ? 10.480  5.417   9.025   1.00 91.65 79  A 1 
ATOM   600  C CG  . ASP   A 1  79  ? 10.395  4.190   9.908   1.00 89.98 79  A 1 
ATOM   601  O OD1 . ASP   A 1  79  ? 9.749   4.267   10.971  1.00 83.05 79  A 1 
ATOM   602  O OD2 . ASP   A 1  79  ? 10.975  3.151   9.537   1.00 83.07 79  A 1 
ATOM   603  N N   . ILE   A 1  80  ? 9.322   7.178   6.530   1.00 93.33 80  A 1 
ATOM   604  C CA  . ILE   A 1  80  ? 9.490   8.383   5.722   1.00 94.03 80  A 1 
ATOM   605  C C   . ILE   A 1  80  ? 8.974   8.144   4.308   1.00 94.17 80  A 1 
ATOM   606  O O   . ILE   A 1  80  ? 9.118   7.049   3.761   1.00 92.58 80  A 1 
ATOM   607  C CB  . ILE   A 1  80  ? 10.989  8.797   5.682   1.00 93.32 80  A 1 
ATOM   608  C CG1 . ILE   A 1  80  ? 11.174  10.119  4.927   1.00 86.49 80  A 1 
ATOM   609  C CG2 . ILE   A 1  80  ? 11.839  7.703   5.039   1.00 86.95 80  A 1 
ATOM   610  C CD1 . ILE   A 1  80  ? 10.835  11.337  5.734   1.00 83.82 80  A 1 
ATOM   611  N N   . PHE   A 1  81  ? 8.372   9.172   3.737   1.00 94.01 81  A 1 
ATOM   612  C CA  . PHE   A 1  81  ? 7.924   9.107   2.351   1.00 94.18 81  A 1 
ATOM   613  C C   . PHE   A 1  81  ? 8.792   10.007  1.488   1.00 94.38 81  A 1 
ATOM   614  O O   . PHE   A 1  81  ? 9.128   11.123  1.888   1.00 93.34 81  A 1 
ATOM   615  C CB  . PHE   A 1  81  ? 6.474   9.576   2.210   1.00 93.71 81  A 1 
ATOM   616  C CG  . PHE   A 1  81  ? 5.458   8.584   2.693   1.00 92.88 81  A 1 
ATOM   617  C CD1 . PHE   A 1  81  ? 5.249   7.398   2.011   1.00 88.61 81  A 1 
ATOM   618  C CD2 . PHE   A 1  81  ? 4.695   8.852   3.821   1.00 88.22 81  A 1 
ATOM   619  C CE1 . PHE   A 1  81  ? 4.299   6.487   2.449   1.00 87.34 81  A 1 
ATOM   620  C CE2 . PHE   A 1  81  ? 3.746   7.947   4.262   1.00 86.70 81  A 1 
ATOM   621  C CZ  . PHE   A 1  81  ? 3.546   6.760   3.576   1.00 89.64 81  A 1 
ATOM   622  N N   . VAL   A 1  82  ? 9.126   9.516   0.309   1.00 93.58 82  A 1 
ATOM   623  C CA  . VAL   A 1  82  ? 9.788   10.336  -0.694  1.00 93.67 82  A 1 
ATOM   624  C C   . VAL   A 1  82  ? 8.721   10.573  -1.753  1.00 93.26 82  A 1 
ATOM   625  O O   . VAL   A 1  82  ? 8.379   9.661   -2.510  1.00 91.41 82  A 1 
ATOM   626  C CB  . VAL   A 1  82  ? 11.020  9.634   -1.301  1.00 92.85 82  A 1 
ATOM   627  C CG1 . VAL   A 1  82  ? 11.502  10.378  -2.540  1.00 86.31 82  A 1 
ATOM   628  C CG2 . VAL   A 1  82  ? 12.138  9.562   -0.269  1.00 86.36 82  A 1 
ATOM   629  N N   . LEU   A 1  83  ? 8.186   11.785  -1.770  1.00 93.73 83  A 1 
ATOM   630  C CA  . LEU   A 1  83  ? 7.112   12.126  -2.696  1.00 93.96 83  A 1 
ATOM   631  C C   . LEU   A 1  83  ? 7.721   12.835  -3.896  1.00 93.99 83  A 1 
ATOM   632  O O   . LEU   A 1  83  ? 8.205   13.961  -3.777  1.00 92.30 83  A 1 
ATOM   633  C CB  . LEU   A 1  83  ? 6.080   13.014  -1.997  1.00 93.02 83  A 1 
ATOM   634  C CG  . LEU   A 1  83  ? 4.631   12.950  -2.487  1.00 91.31 83  A 1 
ATOM   635  C CD1 . LEU   A 1  83  ? 3.761   13.875  -1.643  1.00 83.50 83  A 1 
ATOM   636  C CD2 . LEU   A 1  83  ? 4.521   13.315  -3.962  1.00 84.65 83  A 1 
ATOM   637  N N   . ALA   A 1  84  ? 7.685   12.173  -5.041  1.00 93.38 84  A 1 
ATOM   638  C CA  . ALA   A 1  84  ? 8.338   12.703  -6.227  1.00 93.35 84  A 1 
ATOM   639  C C   . ALA   A 1  84  ? 7.389   13.234  -7.292  1.00 92.95 84  A 1 
ATOM   640  O O   . ALA   A 1  84  ? 6.311   12.679  -7.519  1.00 90.63 84  A 1 
ATOM   641  C CB  . ALA   A 1  84  ? 9.238   11.630  -6.837  1.00 92.28 84  A 1 
ATOM   642  N N   . PHE   A 1  85  ? 7.809   14.296  -7.930  1.00 92.56 85  A 1 
ATOM   643  C CA  . PHE   A 1  85  ? 7.118   14.843  -9.090  1.00 92.73 85  A 1 
ATOM   644  C C   . PHE   A 1  85  ? 8.199   15.240  -10.093 1.00 92.18 85  A 1 
ATOM   645  O O   . PHE   A 1  85  ? 9.366   15.407  -9.729  1.00 90.65 85  A 1 
ATOM   646  C CB  . PHE   A 1  85  ? 6.247   16.054  -8.720  1.00 92.77 85  A 1 
ATOM   647  C CG  . PHE   A 1  85  ? 7.023   17.289  -8.348  1.00 93.07 85  A 1 
ATOM   648  C CD1 . PHE   A 1  85  ? 7.401   17.509  -7.029  1.00 88.04 85  A 1 
ATOM   649  C CD2 . PHE   A 1  85  ? 7.357   18.233  -9.308  1.00 88.34 85  A 1 
ATOM   650  C CE1 . PHE   A 1  85  ? 8.112   18.647  -6.678  1.00 88.71 85  A 1 
ATOM   651  C CE2 . PHE   A 1  85  ? 8.070   19.374  -8.968  1.00 88.09 85  A 1 
ATOM   652  C CZ  . PHE   A 1  85  ? 8.450   19.582  -7.647  1.00 90.93 85  A 1 
ATOM   653  N N   . SER   A 1  86  ? 7.810   15.392  -11.346 1.00 93.28 86  A 1 
ATOM   654  C CA  . SER   A 1  86  ? 8.769   15.777  -12.374 1.00 92.75 86  A 1 
ATOM   655  C C   . SER   A 1  86  ? 8.777   17.290  -12.566 1.00 92.56 86  A 1 
ATOM   656  O O   . SER   A 1  86  ? 7.723   17.911  -12.698 1.00 90.84 86  A 1 
ATOM   657  C CB  . SER   A 1  86  ? 8.438   15.095  -13.697 1.00 91.29 86  A 1 
ATOM   658  O OG  . SER   A 1  86  ? 9.247   15.603  -14.746 1.00 82.09 86  A 1 
ATOM   659  N N   . LEU   A 1  87  ? 9.960   17.855  -12.600 1.00 91.40 87  A 1 
ATOM   660  C CA  . LEU   A 1  87  ? 10.110  19.294  -12.787 1.00 91.45 87  A 1 
ATOM   661  C C   . LEU   A 1  87  ? 9.670   19.748  -14.176 1.00 90.68 87  A 1 
ATOM   662  O O   . LEU   A 1  87  ? 9.527   20.945  -14.418 1.00 88.04 87  A 1 
ATOM   663  C CB  . LEU   A 1  87  ? 11.560  19.705  -12.539 1.00 91.15 87  A 1 
ATOM   664  C CG  . LEU   A 1  87  ? 12.033  19.582  -11.088 1.00 90.34 87  A 1 
ATOM   665  C CD1 . LEU   A 1  87  ? 13.552  19.674  -11.002 1.00 85.35 87  A 1 
ATOM   666  C CD2 . LEU   A 1  87  ? 11.391  20.669  -10.232 1.00 85.99 87  A 1 
ATOM   667  N N   . ILE   A 1  88  ? 9.463   18.808  -15.067 1.00 90.35 88  A 1 
ATOM   668  C CA  . ILE   A 1  88  ? 9.005   19.137  -16.415 1.00 89.23 88  A 1 
ATOM   669  C C   . ILE   A 1  88  ? 7.579   18.649  -16.661 1.00 88.78 88  A 1 
ATOM   670  O O   . ILE   A 1  88  ? 7.125   18.596  -17.807 1.00 84.94 88  A 1 
ATOM   671  C CB  . ILE   A 1  88  ? 9.944   18.557  -17.493 1.00 87.30 88  A 1 
ATOM   672  C CG1 . ILE   A 1  88  ? 9.941   17.032  -17.441 1.00 79.55 88  A 1 
ATOM   673  C CG2 . ILE   A 1  88  ? 11.352  19.104  -17.316 1.00 75.75 88  A 1 
ATOM   674  C CD1 . ILE   A 1  88  ? 10.638  16.371  -18.617 1.00 72.27 88  A 1 
ATOM   675  N N   . SER   A 1  89  ? 6.887   18.307  -15.592 1.00 90.20 89  A 1 
ATOM   676  C CA  . SER   A 1  89  ? 5.506   17.854  -15.700 1.00 89.92 89  A 1 
ATOM   677  C C   . SER   A 1  89  ? 4.624   18.586  -14.695 1.00 90.60 89  A 1 
ATOM   678  O O   . SER   A 1  89  ? 4.641   18.282  -13.501 1.00 89.43 89  A 1 
ATOM   679  C CB  . SER   A 1  89  ? 5.409   16.350  -15.475 1.00 88.19 89  A 1 
ATOM   680  O OG  . SER   A 1  89  ? 4.057   15.928  -15.455 1.00 81.74 89  A 1 
ATOM   681  N N   . LYS   A 1  90  ? 3.852   19.536  -15.200 1.00 90.58 90  A 1 
ATOM   682  C CA  . LYS   A 1  90  ? 2.954   20.305  -14.348 1.00 90.76 90  A 1 
ATOM   683  C C   . LYS   A 1  90  ? 1.898   19.410  -13.704 1.00 91.41 90  A 1 
ATOM   684  O O   . LYS   A 1  90  ? 1.496   19.634  -12.561 1.00 89.81 90  A 1 
ATOM   685  C CB  . LYS   A 1  90  ? 2.281   21.408  -15.165 1.00 89.42 90  A 1 
ATOM   686  C CG  . LYS   A 1  90  ? 1.429   22.360  -14.351 1.00 80.18 90  A 1 
ATOM   687  C CD  . LYS   A 1  90  ? 0.853   23.459  -15.224 1.00 73.77 90  A 1 
ATOM   688  C CE  . LYS   A 1  90  ? -0.002  24.421  -14.415 1.00 65.31 90  A 1 
ATOM   689  N NZ  . LYS   A 1  90  ? -0.575  25.502  -15.263 1.00 56.99 90  A 1 
ATOM   690  N N   . ALA   A 1  91  ? 1.466   18.409  -14.437 1.00 91.66 91  A 1 
ATOM   691  C CA  . ALA   A 1  91  ? 0.459   17.486  -13.919 1.00 91.47 91  A 1 
ATOM   692  C C   . ALA   A 1  91  ? 0.963   16.727  -12.693 1.00 91.96 91  A 1 
ATOM   693  O O   . ALA   A 1  91  ? 0.237   16.572  -11.709 1.00 89.95 91  A 1 
ATOM   694  C CB  . ALA   A 1  91  ? 0.042   16.506  -15.007 1.00 89.81 91  A 1 
ATOM   695  N N   . SER   A 1  92  ? 2.200   16.257  -12.759 1.00 91.06 92  A 1 
ATOM   696  C CA  . SER   A 1  92  ? 2.766   15.521  -11.631 1.00 90.96 92  A 1 
ATOM   697  C C   . SER   A 1  92  ? 2.912   16.430  -10.411 1.00 91.43 92  A 1 
ATOM   698  O O   . SER   A 1  92  ? 2.739   15.988  -9.273  1.00 89.52 92  A 1 
ATOM   699  C CB  . SER   A 1  92  ? 4.123   14.910  -12.004 1.00 90.08 92  A 1 
ATOM   700  O OG  . SER   A 1  92  ? 5.111   15.903  -12.182 1.00 84.24 92  A 1 
ATOM   701  N N   . TYR   A 1  93  ? 3.228   17.680  -10.661 1.00 91.56 93  A 1 
ATOM   702  C CA  . TYR   A 1  93  ? 3.352   18.672  -9.593  1.00 92.88 93  A 1 
ATOM   703  C C   . TYR   A 1  93  ? 2.004   18.904  -8.915  1.00 92.92 93  A 1 
ATOM   704  O O   . TYR   A 1  93  ? 1.904   18.903  -7.688  1.00 91.68 93  A 1 
ATOM   705  C CB  . TYR   A 1  93  ? 3.890   19.980  -10.181 1.00 93.08 93  A 1 
ATOM   706  C CG  . TYR   A 1  93  ? 3.925   21.145  -9.216  1.00 93.42 93  A 1 
ATOM   707  C CD1 . TYR   A 1  93  ? 5.020   21.348  -8.380  1.00 88.37 93  A 1 
ATOM   708  C CD2 . TYR   A 1  93  ? 2.877   22.057  -9.158  1.00 89.24 93  A 1 
ATOM   709  C CE1 . TYR   A 1  93  ? 5.068   22.425  -7.511  1.00 88.91 93  A 1 
ATOM   710  C CE2 . TYR   A 1  93  ? 2.911   23.137  -8.289  1.00 88.73 93  A 1 
ATOM   711  C CZ  . TYR   A 1  93  ? 4.009   23.319  -7.466  1.00 91.56 93  A 1 
ATOM   712  O OH  . TYR   A 1  93  ? 4.049   24.389  -6.604  1.00 90.47 93  A 1 
ATOM   713  N N   . GLU   A 1  94  ? 0.988   19.093  -9.725  1.00 93.43 94  A 1 
ATOM   714  C CA  . GLU   A 1  94  ? -0.351  19.346  -9.193  1.00 93.12 94  A 1 
ATOM   715  C C   . GLU   A 1  94  ? -0.920  18.141  -8.451  1.00 92.90 94  A 1 
ATOM   716  O O   . GLU   A 1  94  ? -1.651  18.295  -7.470  1.00 91.00 94  A 1 
ATOM   717  C CB  . GLU   A 1  94  ? -1.290  19.765  -10.323 1.00 92.00 94  A 1 
ATOM   718  C CG  . GLU   A 1  94  ? -0.935  21.111  -10.941 1.00 87.62 94  A 1 
ATOM   719  C CD  . GLU   A 1  94  ? -1.817  21.463  -12.130 1.00 84.18 94  A 1 
ATOM   720  O OE1 . GLU   A 1  94  ? -2.511  20.564  -12.644 1.00 77.42 94  A 1 
ATOM   721  O OE2 . GLU   A 1  94  ? -1.806  22.638  -12.549 1.00 77.33 94  A 1 
ATOM   722  N N   . ASN   A 1  95  ? -0.582  16.962  -8.916  1.00 91.71 95  A 1 
ATOM   723  C CA  . ASN   A 1  95  ? -1.094  15.753  -8.279  1.00 91.20 95  A 1 
ATOM   724  C C   . ASN   A 1  95  ? -0.497  15.505  -6.897  1.00 91.65 95  A 1 
ATOM   725  O O   . ASN   A 1  95  ? -1.036  14.709  -6.129  1.00 89.82 95  A 1 
ATOM   726  C CB  . ASN   A 1  95  ? -0.871  14.533  -9.174  1.00 89.88 95  A 1 
ATOM   727  C CG  . ASN   A 1  95  ? -1.924  14.413  -10.260 1.00 87.19 95  A 1 
ATOM   728  O OD1 . ASN   A 1  95  ? -3.040  14.907  -10.110 1.00 78.88 95  A 1 
ATOM   729  N ND2 . ASN   A 1  95  ? -1.581  13.746  -11.352 1.00 79.00 95  A 1 
ATOM   730  N N   . VAL   A 1  96  ? 0.593   16.168  -6.590  1.00 92.72 96  A 1 
ATOM   731  C CA  . VAL   A 1  96  ? 1.168   16.037  -5.251  1.00 92.93 96  A 1 
ATOM   732  C C   . VAL   A 1  96  ? 0.125   16.468  -4.221  1.00 92.96 96  A 1 
ATOM   733  O O   . VAL   A 1  96  ? -0.098  15.786  -3.218  1.00 91.59 96  A 1 
ATOM   734  C CB  . VAL   A 1  96  ? 2.434   16.899  -5.102  1.00 92.65 96  A 1 
ATOM   735  C CG1 . VAL   A 1  96  ? 2.846   16.996  -3.634  1.00 85.34 96  A 1 
ATOM   736  C CG2 . VAL   A 1  96  ? 3.567   16.309  -5.925  1.00 86.24 96  A 1 
ATOM   737  N N   . LEU   A 1  97  ? -0.509  17.589  -4.488  1.00 93.04 97  A 1 
ATOM   738  C CA  . LEU   A 1  97  ? -1.503  18.133  -3.568  1.00 92.74 97  A 1 
ATOM   739  C C   . LEU   A 1  97  ? -2.890  17.522  -3.761  1.00 92.67 97  A 1 
ATOM   740  O O   . LEU   A 1  97  ? -3.613  17.302  -2.788  1.00 90.29 97  A 1 
ATOM   741  C CB  . LEU   A 1  97  ? -1.586  19.650  -3.738  1.00 90.91 97  A 1 
ATOM   742  C CG  . LEU   A 1  97  ? -2.491  20.408  -2.771  1.00 84.38 97  A 1 
ATOM   743  C CD1 . LEU   A 1  97  ? -1.973  20.283  -1.353  1.00 76.92 97  A 1 
ATOM   744  C CD2 . LEU   A 1  97  ? -2.574  21.875  -3.183  1.00 77.26 97  A 1 
ATOM   745  N N   . LYS   A 1  98  ? -3.238  17.260  -5.007  1.00 93.04 98  A 1 
ATOM   746  C CA  . LYS   A 1  98  ? -4.587  16.787  -5.316  1.00 92.62 98  A 1 
ATOM   747  C C   . LYS   A 1  98  ? -4.785  15.279  -5.169  1.00 92.49 98  A 1 
ATOM   748  O O   . LYS   A 1  98  ? -5.903  14.827  -4.913  1.00 90.18 98  A 1 
ATOM   749  C CB  . LYS   A 1  98  ? -4.969  17.210  -6.735  1.00 91.27 98  A 1 
ATOM   750  C CG  . LYS   A 1  98  ? -5.007  18.715  -6.942  1.00 81.51 98  A 1 
ATOM   751  C CD  . LYS   A 1  98  ? -5.341  19.071  -8.378  1.00 77.46 98  A 1 
ATOM   752  C CE  . LYS   A 1  98  ? -5.357  20.576  -8.578  1.00 66.00 98  A 1 
ATOM   753  N NZ  . LYS   A 1  98  ? -5.639  20.954  -9.991  1.00 58.57 98  A 1 
ATOM   754  N N   . LYS   A 1  99  ? -3.726  14.526  -5.333  1.00 92.83 99  A 1 
ATOM   755  C CA  . LYS   A 1  99  ? -3.851  13.069  -5.308  1.00 92.47 99  A 1 
ATOM   756  C C   . LYS   A 1  99  ? -3.060  12.397  -4.194  1.00 92.90 99  A 1 
ATOM   757  O O   . LYS   A 1  99  ? -3.617  11.620  -3.415  1.00 91.57 99  A 1 
ATOM   758  C CB  . LYS   A 1  99  ? -3.418  12.488  -6.656  1.00 90.57 99  A 1 
ATOM   759  C CG  . LYS   A 1  99  ? -3.456  10.970  -6.728  1.00 84.54 99  A 1 
ATOM   760  C CD  . LYS   A 1  99  ? -3.048  10.477  -8.104  1.00 82.23 99  A 1 
ATOM   761  C CE  . LYS   A 1  99  ? -3.058  8.962   -8.176  1.00 74.64 99  A 1 
ATOM   762  N NZ  . LYS   A 1  99  ? -2.681  8.462   -9.533  1.00 68.86 99  A 1 
ATOM   763  N N   . TRP   A 1  100 ? -1.768  12.683  -4.132  1.00 92.95 100 A 1 
ATOM   764  C CA  . TRP   A 1  100 ? -0.908  11.966  -3.194  1.00 93.02 100 A 1 
ATOM   765  C C   . TRP   A 1  100 ? -1.055  12.374  -1.736  1.00 93.19 100 A 1 
ATOM   766  O O   . TRP   A 1  100 ? -1.121  11.510  -0.856  1.00 91.53 100 A 1 
ATOM   767  C CB  . TRP   A 1  100 ? 0.548   12.082  -3.643  1.00 92.71 100 A 1 
ATOM   768  C CG  . TRP   A 1  100 ? 0.717   11.510  -5.010  1.00 91.97 100 A 1 
ATOM   769  C CD1 . TRP   A 1  100 ? 0.905   12.195  -6.173  1.00 87.72 100 A 1 
ATOM   770  C CD2 . TRP   A 1  100 ? 0.634   10.129  -5.366  1.00 90.04 100 A 1 
ATOM   771  N NE1 . TRP   A 1  100 ? 0.956   11.323  -7.231  1.00 88.06 100 A 1 
ATOM   772  C CE2 . TRP   A 1  100 ? 0.790   10.049  -6.764  1.00 89.18 100 A 1 
ATOM   773  C CE3 . TRP   A 1  100 ? 0.448   8.951   -4.638  1.00 88.05 100 A 1 
ATOM   774  C CZ2 . TRP   A 1  100 ? 0.769   8.833   -7.451  1.00 88.89 100 A 1 
ATOM   775  C CZ3 . TRP   A 1  100 ? 0.425   7.743   -5.328  1.00 84.90 100 A 1 
ATOM   776  C CH2 . TRP   A 1  100 ? 0.588   7.697   -6.718  1.00 86.12 100 A 1 
ATOM   777  N N   . MET   A 1  101 ? -1.111  13.639  -1.472  1.00 92.92 101 A 1 
ATOM   778  C CA  . MET   A 1  101 ? -1.221  14.080  -0.086  1.00 93.03 101 A 1 
ATOM   779  C C   . MET   A 1  101 ? -2.496  13.600  0.617   1.00 92.62 101 A 1 
ATOM   780  O O   . MET   A 1  101 ? -2.422  13.164  1.768   1.00 90.92 101 A 1 
ATOM   781  C CB  . MET   A 1  101 ? -1.091  15.597  0.016   1.00 92.58 101 A 1 
ATOM   782  C CG  . MET   A 1  101 ? 0.331   16.086  -0.205  1.00 88.07 101 A 1 
ATOM   783  S SD  . MET   A 1  101 ? 1.539   15.286  0.873   1.00 88.19 101 A 1 
ATOM   784  C CE  . MET   A 1  101 ? 0.894   15.699  2.486   1.00 80.24 101 A 1 
ATOM   785  N N   . PRO   A 1  102 ? -3.647  13.679  -0.045  1.00 93.31 102 A 1 
ATOM   786  C CA  . PRO   A 1  102 ? -4.848  13.163  0.632   1.00 92.83 102 A 1 
ATOM   787  C C   . PRO   A 1  102 ? -4.710  11.684  0.988   1.00 92.69 102 A 1 
ATOM   788  O O   . PRO   A 1  102 ? -5.164  11.253  2.051   1.00 90.98 102 A 1 
ATOM   789  C CB  . PRO   A 1  102 ? -5.950  13.381  -0.405  1.00 91.66 102 A 1 
ATOM   790  C CG  . PRO   A 1  102 ? -5.479  14.556  -1.180  1.00 89.56 102 A 1 
ATOM   791  C CD  . PRO   A 1  102 ? -3.994  14.384  -1.278  1.00 92.64 102 A 1 
ATOM   792  N N   . GLU   A 1  103 ? -4.079  10.927  0.119   1.00 92.46 103 A 1 
ATOM   793  C CA  . GLU   A 1  103 ? -3.881  9.504   0.377   1.00 91.92 103 A 1 
ATOM   794  C C   . GLU   A 1  103 ? -2.908  9.276   1.530   1.00 91.81 103 A 1 
ATOM   795  O O   . GLU   A 1  103 ? -3.160  8.457   2.415   1.00 89.98 103 A 1 
ATOM   796  C CB  . GLU   A 1  103 ? -3.387  8.802   -0.886  1.00 90.52 103 A 1 
ATOM   797  C CG  . GLU   A 1  103 ? -3.148  7.315   -0.716  1.00 86.13 103 A 1 
ATOM   798  C CD  . GLU   A 1  103 ? -2.846  6.629   -2.032  1.00 85.48 103 A 1 
ATOM   799  O OE1 . GLU   A 1  103 ? -3.715  6.647   -2.919  1.00 80.57 103 A 1 
ATOM   800  O OE2 . GLU   A 1  103 ? -1.736  6.086   -2.177  1.00 80.51 103 A 1 
ATOM   801  N N   . LEU   A 1  104 ? -1.806  9.992   1.515   1.00 91.83 104 A 1 
ATOM   802  C CA  . LEU   A 1  104 ? -0.816  9.841   2.575   1.00 91.69 104 A 1 
ATOM   803  C C   . LEU   A 1  104 ? -1.371  10.272  3.929   1.00 91.04 104 A 1 
ATOM   804  O O   . LEU   A 1  104 ? -1.104  9.627   4.941   1.00 88.33 104 A 1 
ATOM   805  C CB  . LEU   A 1  104 ? 0.447   10.640  2.256   1.00 91.13 104 A 1 
ATOM   806  C CG  . LEU   A 1  104 ? 1.231   10.202  1.022   1.00 89.73 104 A 1 
ATOM   807  C CD1 . LEU   A 1  104 ? 2.434   11.107  0.820   1.00 83.29 104 A 1 
ATOM   808  C CD2 . LEU   A 1  104 ? 1.679   8.752   1.148   1.00 83.81 104 A 1 
ATOM   809  N N   . ARG   A 1  105 ? -2.130  11.339  3.941   1.00 92.48 105 A 1 
ATOM   810  C CA  . ARG   A 1  105 ? -2.702  11.825  5.194   1.00 91.56 105 A 1 
ATOM   811  C C   . ARG   A 1  105 ? -3.721  10.839  5.763   1.00 91.23 105 A 1 
ATOM   812  O O   . ARG   A 1  105 ? -3.856  10.711  6.978   1.00 88.23 105 A 1 
ATOM   813  C CB  . ARG   A 1  105 ? -3.362  13.192  5.005   1.00 90.45 105 A 1 
ATOM   814  C CG  . ARG   A 1  105 ? -2.395  14.324  4.691   1.00 82.83 105 A 1 
ATOM   815  C CD  . ARG   A 1  105 ? -3.064  15.673  4.840   1.00 77.37 105 A 1 
ATOM   816  N NE  . ARG   A 1  105 ? -2.231  16.762  4.320   1.00 69.41 105 A 1 
ATOM   817  C CZ  . ARG   A 1  105 ? -2.384  17.303  3.116   1.00 63.21 105 A 1 
ATOM   818  N NH1 . ARG   A 1  105 ? -3.332  16.872  2.295   1.00 55.48 105 A 1 
ATOM   819  N NH2 . ARG   A 1  105 ? -1.577  18.283  2.727   1.00 57.30 105 A 1 
ATOM   820  N N   . ARG   A 1  106 ? -4.417  10.175  4.881   1.00 91.98 106 A 1 
ATOM   821  C CA  . ARG   A 1  106 ? -5.432  9.235   5.338   1.00 91.33 106 A 1 
ATOM   822  C C   . ARG   A 1  106 ? -4.827  7.962   5.926   1.00 91.28 106 A 1 
ATOM   823  O O   . ARG   A 1  106 ? -5.251  7.496   6.978   1.00 88.75 106 A 1 
ATOM   824  C CB  . ARG   A 1  106 ? -6.364  8.855   4.190   1.00 89.57 106 A 1 
ATOM   825  C CG  . ARG   A 1  106 ? -7.615  8.138   4.658   1.00 82.19 106 A 1 
ATOM   826  C CD  . ARG   A 1  106 ? -8.304  7.397   3.531   1.00 79.53 106 A 1 
ATOM   827  N NE  . ARG   A 1  106 ? -8.387  8.210   2.320   1.00 72.15 106 A 1 
ATOM   828  C CZ  . ARG   A 1  106 ? -8.908  7.787   1.175   1.00 67.26 106 A 1 
ATOM   829  N NH1 . ARG   A 1  106 ? -9.424  6.568   1.076   1.00 60.96 106 A 1 
ATOM   830  N NH2 . ARG   A 1  106 ? -8.921  8.580   0.116   1.00 60.52 106 A 1 
ATOM   831  N N   . PHE   A 1  107 ? -3.843  7.414   5.244   1.00 90.92 107 A 1 
ATOM   832  C CA  . PHE   A 1  107 ? -3.285  6.129   5.656   1.00 90.07 107 A 1 
ATOM   833  C C   . PHE   A 1  107 ? -1.992  6.204   6.463   1.00 90.00 107 A 1 
ATOM   834  O O   . PHE   A 1  107 ? -1.608  5.224   7.101   1.00 85.97 107 A 1 
ATOM   835  C CB  . PHE   A 1  107 ? -3.077  5.248   4.427   1.00 88.71 107 A 1 
ATOM   836  C CG  . PHE   A 1  107 ? -4.350  4.928   3.697   1.00 87.26 107 A 1 
ATOM   837  C CD1 . PHE   A 1  107 ? -5.225  3.971   4.192   1.00 81.17 107 A 1 
ATOM   838  C CD2 . PHE   A 1  107 ? -4.681  5.588   2.525   1.00 81.15 107 A 1 
ATOM   839  C CE1 . PHE   A 1  107 ? -6.404  3.683   3.531   1.00 79.59 107 A 1 
ATOM   840  C CE2 . PHE   A 1  107 ? -5.864  5.303   1.858   1.00 78.84 107 A 1 
ATOM   841  C CZ  . PHE   A 1  107 ? -6.725  4.346   2.363   1.00 80.46 107 A 1 
ATOM   842  N N   . ALA   A 1  108 ? -1.334  7.344   6.428   1.00 90.60 108 A 1 
ATOM   843  C CA  . ALA   A 1  108 ? -0.088  7.520   7.171   1.00 90.62 108 A 1 
ATOM   844  C C   . ALA   A 1  108 ? 0.074   8.989   7.559   1.00 90.53 108 A 1 
ATOM   845  O O   . ALA   A 1  108 ? 1.033   9.650   7.156   1.00 87.09 108 A 1 
ATOM   846  C CB  . ALA   A 1  108 ? 1.096   7.047   6.334   1.00 89.35 108 A 1 
ATOM   847  N N   . PRO   A 1  109 ? -0.869  9.499   8.335   1.00 90.25 109 A 1 
ATOM   848  C CA  . PRO   A 1  109 ? -0.906  10.928  8.671   1.00 88.75 109 A 1 
ATOM   849  C C   . PRO   A 1  109 ? 0.277   11.472  9.466   1.00 87.83 109 A 1 
ATOM   850  O O   . PRO   A 1  109 ? 0.558   12.665  9.394   1.00 81.85 109 A 1 
ATOM   851  C CB  . PRO   A 1  109 ? -2.205  11.057  9.475   1.00 86.84 109 A 1 
ATOM   852  C CG  . PRO   A 1  109 ? -2.407  9.708   10.070  1.00 84.31 109 A 1 
ATOM   853  C CD  . PRO   A 1  109 ? -1.947  8.754   9.010   1.00 87.81 109 A 1 
ATOM   854  N N   . ASN   A 1  110 ? 0.955   10.617  10.209  1.00 89.92 110 A 1 
ATOM   855  C CA  . ASN   A 1  110 ? 2.040   11.090  11.062  1.00 89.73 110 A 1 
ATOM   856  C C   . ASN   A 1  110 ? 3.438   10.823  10.511  1.00 90.42 110 A 1 
ATOM   857  O O   . ASN   A 1  110 ? 4.430   11.061  11.195  1.00 86.73 110 A 1 
ATOM   858  C CB  . ASN   A 1  110 ? 1.907   10.469  12.454  1.00 87.00 110 A 1 
ATOM   859  C CG  . ASN   A 1  110 ? 0.612   10.855  13.135  1.00 81.33 110 A 1 
ATOM   860  O OD1 . ASN   A 1  110 ? 0.169   11.997  13.048  1.00 71.45 110 A 1 
ATOM   861  N ND2 . ASN   A 1  110 ? -0.005  9.896   13.816  1.00 71.03 110 A 1 
ATOM   862  N N   . VAL   A 1  111 ? 3.510   10.340  9.293   1.00 91.14 111 A 1 
ATOM   863  C CA  . VAL   A 1  111 ? 4.802   10.034  8.689   1.00 91.96 111 A 1 
ATOM   864  C C   . VAL   A 1  111 ? 5.318   11.244  7.909   1.00 92.74 111 A 1 
ATOM   865  O O   . VAL   A 1  111 ? 4.595   11.796  7.084   1.00 91.10 111 A 1 
ATOM   866  C CB  . VAL   A 1  111 ? 4.690   8.816   7.753   1.00 91.02 111 A 1 
ATOM   867  C CG1 . VAL   A 1  111 ? 6.027   8.526   7.088   1.00 84.37 111 A 1 
ATOM   868  C CG2 . VAL   A 1  111 ? 4.210   7.604   8.540   1.00 84.64 111 A 1 
ATOM   869  N N   . PRO   A 1  112 ? 6.559   11.649  8.170   1.00 92.46 112 A 1 
ATOM   870  C CA  . PRO   A 1  112 ? 7.118   12.809  7.465   1.00 93.04 112 A 1 
ATOM   871  C C   . PRO   A 1  112 ? 7.338   12.544  5.978   1.00 93.66 112 A 1 
ATOM   872  O O   . PRO   A 1  112 ? 7.381   11.396  5.536   1.00 92.15 112 A 1 
ATOM   873  C CB  . PRO   A 1  112 ? 8.447   13.050  8.190   1.00 91.53 112 A 1 
ATOM   874  C CG  . PRO   A 1  112 ? 8.810   11.721  8.752   1.00 88.35 112 A 1 
ATOM   875  C CD  . PRO   A 1  112 ? 7.511   11.099  9.153   1.00 90.89 112 A 1 
ATOM   876  N N   . ILE   A 1  113 ? 7.482   13.626  5.236   1.00 93.63 113 A 1 
ATOM   877  C CA  . ILE   A 1  113 ? 7.616   13.551  3.784   1.00 94.15 113 A 1 
ATOM   878  C C   . ILE   A 1  113 ? 8.788   14.386  3.290   1.00 94.37 113 A 1 
ATOM   879  O O   . ILE   A 1  113 ? 9.013   15.497  3.768   1.00 92.50 113 A 1 
ATOM   880  C CB  . ILE   A 1  113 ? 6.331   14.056  3.096   1.00 93.08 113 A 1 
ATOM   881  C CG1 . ILE   A 1  113 ? 5.132   13.196  3.497   1.00 86.70 113 A 1 
ATOM   882  C CG2 . ILE   A 1  113 ? 6.497   14.085  1.579   1.00 86.64 113 A 1 
ATOM   883  C CD1 . ILE   A 1  113 ? 3.798   13.804  3.131   1.00 84.25 113 A 1 
ATOM   884  N N   . VAL   A 1  114 ? 9.510   13.838  2.334   1.00 94.16 114 A 1 
ATOM   885  C CA  . VAL   A 1  114 ? 10.550  14.582  1.634   1.00 94.38 114 A 1 
ATOM   886  C C   . VAL   A 1  114 ? 10.052  14.766  0.208   1.00 94.34 114 A 1 
ATOM   887  O O   . VAL   A 1  114 ? 9.874   13.790  -0.523  1.00 92.51 114 A 1 
ATOM   888  C CB  . VAL   A 1  114 ? 11.899  13.835  1.627   1.00 93.48 114 A 1 
ATOM   889  C CG1 . VAL   A 1  114 ? 12.892  14.550  0.713   1.00 85.04 114 A 1 
ATOM   890  C CG2 . VAL   A 1  114 ? 12.460  13.749  3.038   1.00 85.09 114 A 1 
ATOM   891  N N   . LEU   A 1  115 ? 9.819   16.007  -0.167  1.00 94.11 115 A 1 
ATOM   892  C CA  . LEU   A 1  115 ? 9.338   16.312  -1.508  1.00 94.54 115 A 1 
ATOM   893  C C   . LEU   A 1  115 ? 10.522  16.371  -2.466  1.00 94.45 115 A 1 
ATOM   894  O O   . LEU   A 1  115 ? 11.539  16.997  -2.169  1.00 92.90 115 A 1 
ATOM   895  C CB  . LEU   A 1  115 ? 8.597   17.649  -1.507  1.00 94.05 115 A 1 
ATOM   896  C CG  . LEU   A 1  115 ? 7.970   18.091  -2.829  1.00 92.33 115 A 1 
ATOM   897  C CD1 . LEU   A 1  115 ? 6.850   17.144  -3.233  1.00 85.14 115 A 1 
ATOM   898  C CD2 . LEU   A 1  115 ? 7.438   19.515  -2.697  1.00 85.92 115 A 1 
ATOM   899  N N   . VAL   A 1  116 ? 10.379  15.723  -3.608  1.00 94.39 116 A 1 
ATOM   900  C CA  . VAL   A 1  116 ? 11.474  15.667  -4.573  1.00 94.24 116 A 1 
ATOM   901  C C   . VAL   A 1  116 ? 11.020  16.041  -5.977  1.00 93.83 116 A 1 
ATOM   902  O O   . VAL   A 1  116 ? 10.016  15.533  -6.472  1.00 91.73 116 A 1 
ATOM   903  C CB  . VAL   A 1  116 ? 12.104  14.259  -4.616  1.00 92.88 116 A 1 
ATOM   904  C CG1 . VAL   A 1  116 ? 13.211  14.202  -5.657  1.00 82.76 116 A 1 
ATOM   905  C CG2 . VAL   A 1  116 ? 12.642  13.882  -3.247  1.00 83.77 116 A 1 
ATOM   906  N N   . GLY   A 1  117 ? 11.781  16.926  -6.612  1.00 93.45 117 A 1 
ATOM   907  C CA  . GLY   A 1  117 ? 11.527  17.296  -7.992  1.00 92.95 117 A 1 
ATOM   908  C C   . GLY   A 1  117 ? 12.559  16.598  -8.858  1.00 92.78 117 A 1 
ATOM   909  O O   . GLY   A 1  117 ? 13.753  16.835  -8.703  1.00 90.01 117 A 1 
ATOM   910  N N   . THR   A 1  118 ? 12.099  15.752  -9.754  1.00 92.21 118 A 1 
ATOM   911  C CA  . THR   A 1  118 ? 13.011  14.975  -10.590 1.00 91.55 118 A 1 
ATOM   912  C C   . THR   A 1  118 ? 13.234  15.605  -11.963 1.00 90.96 118 A 1 
ATOM   913  O O   . THR   A 1  118 ? 12.573  16.573  -12.337 1.00 88.47 118 A 1 
ATOM   914  C CB  . THR   A 1  118 ? 12.496  13.542  -10.780 1.00 90.29 118 A 1 
ATOM   915  O OG1 . THR   A 1  118 ? 11.262  13.578  -11.498 1.00 80.43 118 A 1 
ATOM   916  C CG2 . THR   A 1  118 ? 12.283  12.861  -9.438  1.00 80.25 118 A 1 
ATOM   917  N N   . LYS   A 1  119 ? 14.175  15.027  -12.694 1.00 90.64 119 A 1 
ATOM   918  C CA  . LYS   A 1  119 ? 14.525  15.474  -14.043 1.00 90.17 119 A 1 
ATOM   919  C C   . LYS   A 1  119 ? 15.046  16.912  -14.066 1.00 90.46 119 A 1 
ATOM   920  O O   . LYS   A 1  119 ? 14.710  17.701  -14.958 1.00 86.69 119 A 1 
ATOM   921  C CB  . LYS   A 1  119 ? 13.333  15.306  -14.992 1.00 87.96 119 A 1 
ATOM   922  C CG  . LYS   A 1  119 ? 12.839  13.866  -15.070 1.00 86.30 119 A 1 
ATOM   923  C CD  . LYS   A 1  119 ? 11.751  13.683  -16.110 1.00 80.64 119 A 1 
ATOM   924  C CE  . LYS   A 1  119 ? 11.291  12.231  -16.155 1.00 78.19 119 A 1 
ATOM   925  N NZ  . LYS   A 1  119 ? 10.233  12.004  -17.173 1.00 69.51 119 A 1 
ATOM   926  N N   . LEU   A 1  120 ? 15.851  17.224  -13.087 1.00 90.99 120 A 1 
ATOM   927  C CA  . LEU   A 1  120 ? 16.460  18.546  -12.994 1.00 91.20 120 A 1 
ATOM   928  C C   . LEU   A 1  120 ? 17.287  18.865  -14.234 1.00 90.53 120 A 1 
ATOM   929  O O   . LEU   A 1  120 ? 17.334  20.012  -14.679 1.00 87.76 120 A 1 
ATOM   930  C CB  . LEU   A 1  120 ? 17.343  18.624  -11.745 1.00 90.58 120 A 1 
ATOM   931  C CG  . LEU   A 1  120 ? 18.143  19.908  -11.524 1.00 88.69 120 A 1 
ATOM   932  C CD1 . LEU   A 1  120 ? 17.210  21.102  -11.402 1.00 80.51 120 A 1 
ATOM   933  C CD2 . LEU   A 1  120 ? 19.002  19.776  -10.276 1.00 81.22 120 A 1 
ATOM   934  N N   . ASP   A 1  121 ? 17.929  17.864  -14.795 1.00 90.28 121 A 1 
ATOM   935  C CA  . ASP   A 1  121 ? 18.759  18.042  -15.978 1.00 88.44 121 A 1 
ATOM   936  C C   . ASP   A 1  121 ? 17.968  18.582  -17.169 1.00 88.46 121 A 1 
ATOM   937  O O   . ASP   A 1  121 ? 18.474  19.407  -17.929 1.00 84.90 121 A 1 
ATOM   938  C CB  . ASP   A 1  121 ? 19.444  16.722  -16.359 1.00 86.50 121 A 1 
ATOM   939  C CG  . ASP   A 1  121 ? 18.452  15.606  -16.625 1.00 81.42 121 A 1 
ATOM   940  O OD1 . ASP   A 1  121 ? 17.658  15.278  -15.726 1.00 73.28 121 A 1 
ATOM   941  O OD2 . ASP   A 1  121 ? 18.477  15.049  -17.739 1.00 74.41 121 A 1 
ATOM   942  N N   . LEU   A 1  122 ? 16.740  18.137  -17.322 1.00 88.77 122 A 1 
ATOM   943  C CA  . LEU   A 1  122 ? 15.915  18.600  -18.434 1.00 88.10 122 A 1 
ATOM   944  C C   . LEU   A 1  122 ? 15.404  20.021  -18.215 1.00 87.71 122 A 1 
ATOM   945  O O   . LEU   A 1  122 ? 15.339  20.809  -19.158 1.00 84.09 122 A 1 
ATOM   946  C CB  . LEU   A 1  122 ? 14.744  17.647  -18.668 1.00 86.34 122 A 1 
ATOM   947  C CG  . LEU   A 1  122 ? 15.110  16.259  -19.200 1.00 82.67 122 A 1 
ATOM   948  C CD1 . LEU   A 1  122 ? 13.865  15.401  -19.355 1.00 76.50 122 A 1 
ATOM   949  C CD2 . LEU   A 1  122 ? 15.840  16.370  -20.533 1.00 76.36 122 A 1 
ATOM   950  N N   . ARG   A 1  123 ? 15.036  20.339  -16.991 1.00 86.95 123 A 1 
ATOM   951  C CA  . ARG   A 1  123 ? 14.563  21.693  -16.704 1.00 86.67 123 A 1 
ATOM   952  C C   . ARG   A 1  123 ? 15.673  22.719  -16.939 1.00 85.97 123 A 1 
ATOM   953  O O   . ARG   A 1  123 ? 15.409  23.832  -17.387 1.00 82.54 123 A 1 
ATOM   954  C CB  . ARG   A 1  123 ? 14.064  21.809  -15.261 1.00 85.38 123 A 1 
ATOM   955  C CG  . ARG   A 1  123 ? 13.373  23.140  -14.977 1.00 82.18 123 A 1 
ATOM   956  C CD  . ARG   A 1  123 ? 13.140  23.365  -13.491 1.00 82.13 123 A 1 
ATOM   957  N NE  . ARG   A 1  123 ? 14.393  23.527  -12.771 1.00 81.24 123 A 1 
ATOM   958  C CZ  . ARG   A 1  123 ? 14.484  23.678  -11.452 1.00 84.45 123 A 1 
ATOM   959  N NH1 . ARG   A 1  123 ? 13.385  23.680  -10.701 1.00 74.56 123 A 1 
ATOM   960  N NH2 . ARG   A 1  123 ? 15.667  23.819  -10.872 1.00 77.15 123 A 1 
ATOM   961  N N   . ASP   A 1  124 ? 16.896  22.343  -16.638 1.00 85.73 124 A 1 
ATOM   962  C CA  . ASP   A 1  124 ? 18.031  23.249  -16.792 1.00 84.14 124 A 1 
ATOM   963  C C   . ASP   A 1  124 ? 18.615  23.252  -18.205 1.00 83.53 124 A 1 
ATOM   964  O O   . ASP   A 1  124 ? 19.525  24.029  -18.495 1.00 78.78 124 A 1 
ATOM   965  C CB  . ASP   A 1  124 ? 19.132  22.889  -15.788 1.00 81.56 124 A 1 
ATOM   966  C CG  . ASP   A 1  124 ? 18.732  23.182  -14.351 1.00 77.87 124 A 1 
ATOM   967  O OD1 . ASP   A 1  124 ? 17.703  23.852  -14.137 1.00 70.76 124 A 1 
ATOM   968  O OD2 . ASP   A 1  124 ? 19.458  22.747  -13.437 1.00 72.12 124 A 1 
ATOM   969  N N   . ASP   A 1  125 ? 18.094  22.401  -19.075 1.00 84.65 125 A 1 
ATOM   970  C CA  . ASP   A 1  125 ? 18.593  22.326  -20.443 1.00 83.07 125 A 1 
ATOM   971  C C   . ASP   A 1  125 ? 17.915  23.370  -21.329 1.00 82.29 125 A 1 
ATOM   972  O O   . ASP   A 1  125 ? 16.700  23.341  -21.523 1.00 77.99 125 A 1 
ATOM   973  C CB  . ASP   A 1  125 ? 18.374  20.927  -21.017 1.00 79.83 125 A 1 
ATOM   974  C CG  . ASP   A 1  125 ? 18.967  20.763  -22.401 1.00 74.83 125 A 1 
ATOM   975  O OD1 . ASP   A 1  125 ? 20.208  20.715  -22.512 1.00 67.34 125 A 1 
ATOM   976  O OD2 . ASP   A 1  125 ? 18.200  20.689  -23.372 1.00 67.24 125 A 1 
ATOM   977  N N   . LYS   A 1  126 ? 18.703  24.279  -21.869 1.00 82.50 126 A 1 
ATOM   978  C CA  . LYS   A 1  126 ? 18.165  25.349  -22.705 1.00 80.41 126 A 1 
ATOM   979  C C   . LYS   A 1  126 ? 17.498  24.815  -23.966 1.00 80.87 126 A 1 
ATOM   980  O O   . LYS   A 1  126 ? 16.482  25.354  -24.411 1.00 75.01 126 A 1 
ATOM   981  C CB  . LYS   A 1  126 ? 19.280  26.328  -23.087 1.00 76.68 126 A 1 
ATOM   982  C CG  . LYS   A 1  126 ? 19.875  27.076  -21.909 1.00 69.85 126 A 1 
ATOM   983  C CD  . LYS   A 1  126 ? 20.946  28.054  -22.354 1.00 59.66 126 A 1 
ATOM   984  C CE  . LYS   A 1  126 ? 21.579  28.758  -21.160 1.00 51.93 126 A 1 
ATOM   985  N NZ  . LYS   A 1  126 ? 20.602  29.581  -20.403 1.00 42.89 126 A 1 
ATOM   986  N N   . GLY   A 1  127 ? 18.070  23.775  -24.535 1.00 78.93 127 A 1 
ATOM   987  C CA  . GLY   A 1  127 ? 17.497  23.170  -25.729 1.00 76.99 127 A 1 
ATOM   988  C C   . GLY   A 1  127 ? 16.113  22.610  -25.470 1.00 77.96 127 A 1 
ATOM   989  O O   . GLY   A 1  127 ? 15.212  22.740  -26.302 1.00 73.09 127 A 1 
ATOM   990  N N   . TYR   A 1  128 ? 15.950  22.006  -24.312 1.00 77.91 128 A 1 
ATOM   991  C CA  . TYR   A 1  128 ? 14.651  21.448  -23.944 1.00 77.03 128 A 1 
ATOM   992  C C   . TYR   A 1  128 ? 13.634  22.563  -23.700 1.00 76.85 128 A 1 
ATOM   993  O O   . TYR   A 1  128 ? 12.486  22.479  -24.148 1.00 73.27 128 A 1 
ATOM   994  C CB  . TYR   A 1  128 ? 14.782  20.575  -22.695 1.00 73.54 128 A 1 
ATOM   995  C CG  . TYR   A 1  128 ? 13.482  19.923  -22.287 1.00 71.37 128 A 1 
ATOM   996  C CD1 . TYR   A 1  128 ? 13.090  18.707  -22.840 1.00 66.41 128 A 1 
ATOM   997  C CD2 . TYR   A 1  128 ? 12.637  20.525  -21.365 1.00 66.42 128 A 1 
ATOM   998  C CE1 . TYR   A 1  128 ? 11.897  18.110  -22.482 1.00 63.41 128 A 1 
ATOM   999  C CE2 . TYR   A 1  128 ? 11.434  19.938  -21.002 1.00 62.38 128 A 1 
ATOM   1000 C CZ  . TYR   A 1  128 ? 11.070  18.729  -21.563 1.00 63.72 128 A 1 
ATOM   1001 O OH  . TYR   A 1  128 ? 9.879   18.140  -21.208 1.00 62.13 128 A 1 
ATOM   1002 N N   . LEU   A 1  129 ? 14.062  23.594  -23.002 1.00 79.95 129 A 1 
ATOM   1003 C CA  . LEU   A 1  129 ? 13.176  24.711  -22.678 1.00 78.03 129 A 1 
ATOM   1004 C C   . LEU   A 1  129 ? 12.737  25.499  -23.908 1.00 77.83 129 A 1 
ATOM   1005 O O   . LEU   A 1  129 ? 11.731  26.208  -23.863 1.00 75.08 129 A 1 
ATOM   1006 C CB  . LEU   A 1  129 ? 13.857  25.655  -21.682 1.00 74.14 129 A 1 
ATOM   1007 C CG  . LEU   A 1  129 ? 14.032  25.117  -20.262 1.00 67.68 129 A 1 
ATOM   1008 C CD1 . LEU   A 1  129 ? 14.863  26.076  -19.433 1.00 62.02 129 A 1 
ATOM   1009 C CD2 . LEU   A 1  129 ? 12.671  24.895  -19.615 1.00 62.98 129 A 1 
ATOM   1010 N N   . ALA   A 1  130 ? 13.478  25.375  -24.979 1.00 78.08 130 A 1 
ATOM   1011 C CA  . ALA   A 1  130 ? 13.129  26.081  -26.207 1.00 75.99 130 A 1 
ATOM   1012 C C   . ALA   A 1  130 ? 11.752  25.660  -26.723 1.00 76.10 130 A 1 
ATOM   1013 O O   . ALA   A 1  130 ? 11.033  26.465  -27.312 1.00 71.76 130 A 1 
ATOM   1014 C CB  . ALA   A 1  130 ? 14.184  25.833  -27.276 1.00 73.44 130 A 1 
ATOM   1015 N N   . ASP   A 1  131 ? 11.393  24.410  -26.485 1.00 81.10 131 A 1 
ATOM   1016 C CA  . ASP   A 1  131 ? 10.111  23.886  -26.947 1.00 78.93 131 A 1 
ATOM   1017 C C   . ASP   A 1  131 ? 9.170   23.502  -25.807 1.00 78.51 131 A 1 
ATOM   1018 O O   . ASP   A 1  131 ? 8.057   23.036  -26.053 1.00 73.02 131 A 1 
ATOM   1019 C CB  . ASP   A 1  131 ? 10.337  22.667  -27.846 1.00 75.33 131 A 1 
ATOM   1020 C CG  . ASP   A 1  131 ? 11.039  23.020  -29.145 1.00 68.58 131 A 1 
ATOM   1021 O OD1 . ASP   A 1  131 ? 10.842  24.143  -29.641 1.00 61.28 131 A 1 
ATOM   1022 O OD2 . ASP   A 1  131 ? 11.778  22.164  -29.665 1.00 61.55 131 A 1 
ATOM   1023 N N   . HIS   A 1  132 ? 9.610   23.696  -24.577 1.00 80.13 132 A 1 
ATOM   1024 C CA  . HIS   A 1  132 ? 8.792   23.327  -23.424 1.00 78.67 132 A 1 
ATOM   1025 C C   . HIS   A 1  132 ? 8.794   24.428  -22.367 1.00 78.49 132 A 1 
ATOM   1026 O O   . HIS   A 1  132 ? 9.852   24.842  -21.901 1.00 73.87 132 A 1 
ATOM   1027 C CB  . HIS   A 1  132 ? 9.297   22.025  -22.807 1.00 75.36 132 A 1 
ATOM   1028 C CG  . HIS   A 1  132 ? 9.373   20.885  -23.778 1.00 72.09 132 A 1 
ATOM   1029 N ND1 . HIS   A 1  132 ? 10.425  20.712  -24.643 1.00 61.58 132 A 1 
ATOM   1030 C CD2 . HIS   A 1  132 ? 8.517   19.869  -24.013 1.00 62.80 132 A 1 
ATOM   1031 C CE1 . HIS   A 1  132 ? 10.214  19.631  -25.380 1.00 62.09 132 A 1 
ATOM   1032 N NE2 . HIS   A 1  132 ? 9.067   19.099  -25.013 1.00 60.92 132 A 1 
ATOM   1033 N N   . THR   A 1  133 ? 7.599   24.863  -21.993 1.00 80.65 133 A 1 
ATOM   1034 C CA  . THR   A 1  133 ? 7.464   25.925  -20.999 1.00 78.06 133 A 1 
ATOM   1035 C C   . THR   A 1  133 ? 6.791   25.458  -19.711 1.00 79.05 133 A 1 
ATOM   1036 O O   . THR   A 1  133 ? 6.787   26.186  -18.717 1.00 72.83 133 A 1 
ATOM   1037 C CB  . THR   A 1  133 ? 6.660   27.103  -21.568 1.00 72.71 133 A 1 
ATOM   1038 O OG1 . THR   A 1  133 ? 5.374   26.640  -21.996 1.00 64.45 133 A 1 
ATOM   1039 C CG2 . THR   A 1  133 ? 7.387   27.729  -22.748 1.00 61.28 133 A 1 
ATOM   1040 N N   . ASN   A 1  134 ? 6.229   24.265  -19.727 1.00 83.15 134 A 1 
ATOM   1041 C CA  . ASN   A 1  134 ? 5.543   23.737  -18.549 1.00 83.15 134 A 1 
ATOM   1042 C C   . ASN   A 1  134 ? 6.514   23.081  -17.572 1.00 85.08 134 A 1 
ATOM   1043 O O   . ASN   A 1  134 ? 6.473   21.872  -17.346 1.00 80.98 134 A 1 
ATOM   1044 C CB  . ASN   A 1  134 ? 4.465   22.740  -18.970 1.00 78.02 134 A 1 
ATOM   1045 C CG  . ASN   A 1  134 ? 3.357   23.389  -19.765 1.00 71.85 134 A 1 
ATOM   1046 O OD1 . ASN   A 1  134 ? 2.993   24.537  -19.523 1.00 62.23 134 A 1 
ATOM   1047 N ND2 . ASN   A 1  134 ? 2.815   22.656  -20.727 1.00 63.79 134 A 1 
ATOM   1048 N N   . VAL   A 1  135 ? 7.368   23.900  -16.998 1.00 87.71 135 A 1 
ATOM   1049 C CA  . VAL   A 1  135 ? 8.337   23.404  -16.026 1.00 88.13 135 A 1 
ATOM   1050 C C   . VAL   A 1  135 ? 8.061   24.019  -14.659 1.00 88.85 135 A 1 
ATOM   1051 O O   . VAL   A 1  135 ? 7.391   25.046  -14.546 1.00 86.45 135 A 1 
ATOM   1052 C CB  . VAL   A 1  135 ? 9.786   23.714  -16.452 1.00 85.86 135 A 1 
ATOM   1053 C CG1 . VAL   A 1  135 ? 10.086  23.063  -17.797 1.00 76.12 135 A 1 
ATOM   1054 C CG2 . VAL   A 1  135 ? 10.021  25.217  -16.518 1.00 76.84 135 A 1 
ATOM   1055 N N   . ILE   A 1  136 ? 8.584   23.371  -13.642 1.00 90.58 136 A 1 
ATOM   1056 C CA  . ILE   A 1  136 ? 8.377   23.820  -12.269 1.00 91.31 136 A 1 
ATOM   1057 C C   . ILE   A 1  136 ? 9.649   24.455  -11.724 1.00 91.47 136 A 1 
ATOM   1058 O O   . ILE   A 1  136 ? 10.718  23.848  -11.759 1.00 89.56 136 A 1 
ATOM   1059 C CB  . ILE   A 1  136 ? 7.961   22.647  -11.363 1.00 90.56 136 A 1 
ATOM   1060 C CG1 . ILE   A 1  136 ? 6.763   21.910  -11.968 1.00 85.38 136 A 1 
ATOM   1061 C CG2 . ILE   A 1  136 ? 7.643   23.139  -9.958  1.00 83.80 136 A 1 
ATOM   1062 C CD1 . ILE   A 1  136 ? 5.534   22.774  -12.164 1.00 76.95 136 A 1 
ATOM   1063 N N   . THR   A 1  137 ? 9.521   25.663  -11.216 1.00 90.47 137 A 1 
ATOM   1064 C CA  . THR   A 1  137 ? 10.670  26.367  -10.653 1.00 90.17 137 A 1 
ATOM   1065 C C   . THR   A 1  137 ? 10.945  25.907  -9.227  1.00 91.06 137 A 1 
ATOM   1066 O O   . THR   A 1  137 ? 10.102  25.276  -8.587  1.00 89.72 137 A 1 
ATOM   1067 C CB  . THR   A 1  137 ? 10.440  27.884  -10.632 1.00 88.26 137 A 1 
ATOM   1068 O OG1 . THR   A 1  137 ? 9.387   28.193  -9.720  1.00 79.19 137 A 1 
ATOM   1069 C CG2 . THR   A 1  137 ? 10.087  28.399  -12.018 1.00 76.42 137 A 1 
ATOM   1070 N N   . SER   A 1  138 ? 12.123  26.248  -8.737  1.00 91.64 138 A 1 
ATOM   1071 C CA  . SER   A 1  138 ? 12.485  25.909  -7.365  1.00 91.94 138 A 1 
ATOM   1072 C C   . SER   A 1  138 ? 11.555  26.604  -6.376  1.00 92.61 138 A 1 
ATOM   1073 O O   . SER   A 1  138 ? 11.234  26.053  -5.323  1.00 90.82 138 A 1 
ATOM   1074 C CB  . SER   A 1  138 ? 13.934  26.297  -7.081  1.00 90.50 138 A 1 
ATOM   1075 O OG  . SER   A 1  138 ? 14.825  25.572  -7.908  1.00 79.90 138 A 1 
ATOM   1076 N N   . THR   A 1  139 ? 11.129  27.803  -6.728  1.00 93.58 139 A 1 
ATOM   1077 C CA  . THR   A 1  139 ? 10.210  28.556  -5.878  1.00 93.46 139 A 1 
ATOM   1078 C C   . THR   A 1  139 ? 8.866   27.837  -5.768  1.00 93.72 139 A 1 
ATOM   1079 O O   . THR   A 1  139 ? 8.286   27.744  -4.686  1.00 91.93 139 A 1 
ATOM   1080 C CB  . THR   A 1  139 ? 9.993   29.974  -6.425  1.00 92.22 139 A 1 
ATOM   1081 O OG1 . THR   A 1  139 ? 11.245  30.662  -6.464  1.00 80.10 139 A 1 
ATOM   1082 C CG2 . THR   A 1  139 ? 9.023   30.747  -5.547  1.00 74.69 139 A 1 
ATOM   1083 N N   . GLN   A 1  140 ? 8.391   27.336  -6.889  1.00 93.64 140 A 1 
ATOM   1084 C CA  . GLN   A 1  140 ? 7.135   26.592  -6.894  1.00 93.33 140 A 1 
ATOM   1085 C C   . GLN   A 1  140 ? 7.261   25.314  -6.070  1.00 93.84 140 A 1 
ATOM   1086 O O   . GLN   A 1  140 ? 6.330   24.924  -5.369  1.00 92.39 140 A 1 
ATOM   1087 C CB  . GLN   A 1  140 ? 6.721   26.253  -8.325  1.00 92.01 140 A 1 
ATOM   1088 C CG  . GLN   A 1  140 ? 6.242   27.450  -9.127  1.00 88.28 140 A 1 
ATOM   1089 C CD  . GLN   A 1  140 ? 5.925   27.091  -10.563 1.00 86.65 140 A 1 
ATOM   1090 O OE1 . GLN   A 1  140 ? 6.786   26.596  -11.288 1.00 78.25 140 A 1 
ATOM   1091 N NE2 . GLN   A 1  140 ? 4.697   27.337  -10.985 1.00 76.52 140 A 1 
ATOM   1092 N N   . GLY   A 1  141 ? 8.412   24.683  -6.168  1.00 92.76 141 A 1 
ATOM   1093 C CA  . GLY   A 1  141 ? 8.653   23.472  -5.398  1.00 92.85 141 A 1 
ATOM   1094 C C   . GLY   A 1  141 ? 8.662   23.751  -3.907  1.00 93.72 141 A 1 
ATOM   1095 O O   . GLY   A 1  141 ? 8.086   22.996  -3.121  1.00 92.26 141 A 1 
ATOM   1096 N N   . GLU   A 1  142 ? 9.306   24.832  -3.523  1.00 94.30 142 A 1 
ATOM   1097 C CA  . GLU   A 1  142 ? 9.368   25.206  -2.111  1.00 94.30 142 A 1 
ATOM   1098 C C   . GLU   A 1  142 ? 7.983   25.575  -1.582  1.00 94.70 142 A 1 
ATOM   1099 O O   . GLU   A 1  142 ? 7.632   25.241  -0.448  1.00 93.26 142 A 1 
ATOM   1100 C CB  . GLU   A 1  142 ? 10.339  26.374  -1.915  1.00 93.04 142 A 1 
ATOM   1101 C CG  . GLU   A 1  142 ? 10.378  26.956  -0.506  1.00 82.08 142 A 1 
ATOM   1102 C CD  . GLU   A 1  142 ? 10.785  25.947  0.554   1.00 80.99 142 A 1 
ATOM   1103 O OE1 . GLU   A 1  142 ? 11.367  24.900  0.209   1.00 74.00 142 A 1 
ATOM   1104 O OE2 . GLU   A 1  142 ? 10.526  26.213  1.746   1.00 74.17 142 A 1 
ATOM   1105 N N   . GLU   A 1  143 ? 7.205   26.257  -2.404  1.00 95.07 143 A 1 
ATOM   1106 C CA  . GLU   A 1  143 ? 5.849   26.620  -1.996  1.00 94.69 143 A 1 
ATOM   1107 C C   . GLU   A 1  143 ? 5.009   25.368  -1.768  1.00 94.80 143 A 1 
ATOM   1108 O O   . GLU   A 1  143 ? 4.239   25.291  -0.808  1.00 92.92 143 A 1 
ATOM   1109 C CB  . GLU   A 1  143 ? 5.186   27.510  -3.048  1.00 93.59 143 A 1 
ATOM   1110 C CG  . GLU   A 1  143 ? 3.751   27.919  -2.718  1.00 81.68 143 A 1 
ATOM   1111 C CD  . GLU   A 1  143 ? 3.645   28.694  -1.416  1.00 74.73 143 A 1 
ATOM   1112 O OE1 . GLU   A 1  143 ? 4.648   29.318  -1.005  1.00 66.42 143 A 1 
ATOM   1113 O OE2 . GLU   A 1  143 ? 2.557   28.686  -0.811  1.00 67.28 143 A 1 
ATOM   1114 N N   . LEU   A 1  144 ? 5.176   24.400  -2.642  1.00 94.15 144 A 1 
ATOM   1115 C CA  . LEU   A 1  144 ? 4.447   23.144  -2.494  1.00 94.27 144 A 1 
ATOM   1116 C C   . LEU   A 1  144 ? 4.877   22.432  -1.218  1.00 94.43 144 A 1 
ATOM   1117 O O   . LEU   A 1  144 ? 4.047   21.859  -0.510  1.00 92.77 144 A 1 
ATOM   1118 C CB  . LEU   A 1  144 ? 4.678   22.244  -3.707  1.00 93.43 144 A 1 
ATOM   1119 C CG  . LEU   A 1  144 ? 3.960   20.892  -3.704  1.00 91.17 144 A 1 
ATOM   1120 C CD1 . LEU   A 1  144 ? 2.455   21.075  -3.583  1.00 83.21 144 A 1 
ATOM   1121 C CD2 . LEU   A 1  144 ? 4.297   20.122  -4.974  1.00 84.35 144 A 1 
ATOM   1122 N N   . ARG   A 1  145 ? 6.169   22.479  -0.935  1.00 95.21 145 A 1 
ATOM   1123 C CA  . ARG   A 1  145 ? 6.680   21.866  0.290   1.00 95.21 145 A 1 
ATOM   1124 C C   . ARG   A 1  145 ? 5.990   22.459  1.517   1.00 94.71 145 A 1 
ATOM   1125 O O   . ARG   A 1  145 ? 5.592   21.731  2.426   1.00 93.50 145 A 1 
ATOM   1126 C CB  . ARG   A 1  145 ? 8.188   22.075  0.415   1.00 94.69 145 A 1 
ATOM   1127 C CG  . ARG   A 1  145 ? 8.782   21.384  1.634   1.00 91.31 145 A 1 
ATOM   1128 C CD  . ARG   A 1  145 ? 10.136  21.935  2.019   1.00 89.66 145 A 1 
ATOM   1129 N NE  . ARG   A 1  145 ? 10.045  23.314  2.493   1.00 85.54 145 A 1 
ATOM   1130 C CZ  . ARG   A 1  145 ? 9.610   23.672  3.698   1.00 83.83 145 A 1 
ATOM   1131 N NH1 . ARG   A 1  145 ? 9.210   22.754  4.572   1.00 72.95 145 A 1 
ATOM   1132 N NH2 . ARG   A 1  145 ? 9.570   24.948  4.039   1.00 77.20 145 A 1 
ATOM   1133 N N   . LYS   A 1  146 ? 5.860   23.770  1.523   1.00 94.80 146 A 1 
ATOM   1134 C CA  . LYS   A 1  146 ? 5.213   24.445  2.642   1.00 94.17 146 A 1 
ATOM   1135 C C   . LYS   A 1  146 ? 3.734   24.073  2.741   1.00 93.43 146 A 1 
ATOM   1136 O O   . LYS   A 1  146 ? 3.215   23.869  3.836   1.00 91.45 146 A 1 
ATOM   1137 C CB  . LYS   A 1  146 ? 5.357   25.959  2.504   1.00 93.48 146 A 1 
ATOM   1138 C CG  . LYS   A 1  146 ? 6.786   26.464  2.640   1.00 86.30 146 A 1 
ATOM   1139 C CD  . LYS   A 1  146 ? 6.853   27.969  2.453   1.00 84.11 146 A 1 
ATOM   1140 C CE  . LYS   A 1  146 ? 8.281   28.479  2.570   1.00 75.08 146 A 1 
ATOM   1141 N NZ  . LYS   A 1  146 ? 8.372   29.950  2.342   1.00 67.14 146 A 1 
ATOM   1142 N N   . GLN   A 1  147 ? 3.085   23.998  1.601   1.00 94.39 147 A 1 
ATOM   1143 C CA  . GLN   A 1  147 ? 1.660   23.673  1.579   1.00 93.52 147 A 1 
ATOM   1144 C C   . GLN   A 1  147 ? 1.370   22.280  2.132   1.00 93.20 147 A 1 
ATOM   1145 O O   . GLN   A 1  147 ? 0.393   22.086  2.854   1.00 90.08 147 A 1 
ATOM   1146 C CB  . GLN   A 1  147 ? 1.111   23.776  0.155   1.00 91.94 147 A 1 
ATOM   1147 C CG  . GLN   A 1  147 ? 1.043   25.198  -0.378  1.00 82.54 147 A 1 
ATOM   1148 C CD  . GLN   A 1  147 ? 0.549   25.255  -1.811  1.00 81.21 147 A 1 
ATOM   1149 O OE1 . GLN   A 1  147 ? 0.209   24.232  -2.405  1.00 73.27 147 A 1 
ATOM   1150 N NE2 . GLN   A 1  147 ? 0.508   26.457  -2.377  1.00 71.47 147 A 1 
ATOM   1151 N N   . ILE   A 1  148 ? 2.212   21.341  1.798   1.00 93.23 148 A 1 
ATOM   1152 C CA  . ILE   A 1  148 ? 1.981   19.964  2.231   1.00 92.51 148 A 1 
ATOM   1153 C C   . ILE   A 1  148 ? 2.685   19.633  3.545   1.00 92.10 148 A 1 
ATOM   1154 O O   . ILE   A 1  148 ? 2.483   18.554  4.106   1.00 89.19 148 A 1 
ATOM   1155 C CB  . ILE   A 1  148 ? 2.413   18.949  1.149   1.00 91.45 148 A 1 
ATOM   1156 C CG1 . ILE   A 1  148 ? 3.932   18.952  0.982   1.00 84.02 148 A 1 
ATOM   1157 C CG2 . ILE   A 1  148 ? 1.719   19.263  -0.172  1.00 81.82 148 A 1 
ATOM   1158 C CD1 . ILE   A 1  148 ? 4.447   17.914  0.003   1.00 81.87 148 A 1 
ATOM   1159 N N   . GLY   A 1  149 ? 3.503   20.554  4.011   1.00 92.13 149 A 1 
ATOM   1160 C CA  . GLY   A 1  149 ? 4.208   20.345  5.265   1.00 91.50 149 A 1 
ATOM   1161 C C   . GLY   A 1  149 ? 5.339   19.335  5.180   1.00 92.04 149 A 1 
ATOM   1162 O O   . GLY   A 1  149 ? 5.660   18.674  6.164   1.00 88.82 149 A 1 
ATOM   1163 N N   . ALA   A 1  150 ? 5.937   19.223  4.010   1.00 91.89 150 A 1 
ATOM   1164 C CA  . ALA   A 1  150 ? 7.050   18.295  3.830   1.00 92.65 150 A 1 
ATOM   1165 C C   . ALA   A 1  150 ? 8.266   18.768  4.627   1.00 92.86 150 A 1 
ATOM   1166 O O   . ALA   A 1  150 ? 8.507   19.968  4.756   1.00 90.81 150 A 1 
ATOM   1167 C CB  . ALA   A 1  150 ? 7.404   18.158  2.353   1.00 92.02 150 A 1 
ATOM   1168 N N   . ALA   A 1  151 ? 9.015   17.813  5.144   1.00 92.93 151 A 1 
ATOM   1169 C CA  . ALA   A 1  151 ? 10.189  18.127  5.951   1.00 92.85 151 A 1 
ATOM   1170 C C   . ALA   A 1  151 ? 11.314  18.744  5.124   1.00 93.17 151 A 1 
ATOM   1171 O O   . ALA   A 1  151 ? 12.138  19.492  5.651   1.00 90.78 151 A 1 
ATOM   1172 C CB  . ALA   A 1  151 ? 10.686  16.871  6.656   1.00 91.65 151 A 1 
ATOM   1173 N N   . ALA   A 1  152 ? 11.342  18.429  3.844   1.00 93.50 152 A 1 
ATOM   1174 C CA  . ALA   A 1  152 ? 12.389  18.951  2.974   1.00 93.62 152 A 1 
ATOM   1175 C C   . ALA   A 1  152 ? 11.966  18.911  1.514   1.00 94.19 152 A 1 
ATOM   1176 O O   . ALA   A 1  152 ? 11.039  18.188  1.147   1.00 92.61 152 A 1 
ATOM   1177 C CB  . ALA   A 1  152 ? 13.673  18.151  3.160   1.00 92.35 152 A 1 
ATOM   1178 N N   . TYR   A 1  153 ? 12.657  19.695  0.710   1.00 94.21 153 A 1 
ATOM   1179 C CA  . TYR   A 1  153 ? 12.430  19.718  -0.731  1.00 94.62 153 A 1 
ATOM   1180 C C   . TYR   A 1  153 ? 13.784  19.640  -1.425  1.00 94.49 153 A 1 
ATOM   1181 O O   . TYR   A 1  153 ? 14.680  20.433  -1.135  1.00 92.74 153 A 1 
ATOM   1182 C CB  . TYR   A 1  153 ? 11.698  20.993  -1.161  1.00 93.98 153 A 1 
ATOM   1183 C CG  . TYR   A 1  153 ? 11.637  21.172  -2.667  1.00 93.48 153 A 1 
ATOM   1184 C CD1 . TYR   A 1  153 ? 11.017  20.223  -3.472  1.00 88.28 153 A 1 
ATOM   1185 C CD2 . TYR   A 1  153 ? 12.208  22.283  -3.283  1.00 89.08 153 A 1 
ATOM   1186 C CE1 . TYR   A 1  153 ? 10.966  20.373  -4.851  1.00 88.43 153 A 1 
ATOM   1187 C CE2 . TYR   A 1  153 ? 12.161  22.445  -4.660  1.00 87.82 153 A 1 
ATOM   1188 C CZ  . TYR   A 1  153 ? 11.540  21.487  -5.443  1.00 91.00 153 A 1 
ATOM   1189 O OH  . TYR   A 1  153 ? 11.490  21.636  -6.809  1.00 89.88 153 A 1 
ATOM   1190 N N   . ILE   A 1  154 ? 13.910  18.696  -2.327  1.00 94.85 154 A 1 
ATOM   1191 C CA  . ILE   A 1  154 ? 15.165  18.492  -3.045  1.00 94.68 154 A 1 
ATOM   1192 C C   . ILE   A 1  154 ? 14.895  18.296  -4.529  1.00 94.48 154 A 1 
ATOM   1193 O O   . ILE   A 1  154 ? 13.942  17.620  -4.909  1.00 91.89 154 A 1 
ATOM   1194 C CB  . ILE   A 1  154 ? 15.922  17.259  -2.505  1.00 93.17 154 A 1 
ATOM   1195 C CG1 . ILE   A 1  154 ? 16.199  17.417  -1.006  1.00 80.30 154 A 1 
ATOM   1196 C CG2 . ILE   A 1  154 ? 17.228  17.048  -3.262  1.00 79.84 154 A 1 
ATOM   1197 C CD1 . ILE   A 1  154 ? 16.784  16.185  -0.354  1.00 77.03 154 A 1 
ATOM   1198 N N   . GLU   A 1  155 ? 15.734  18.895  -5.357  1.00 93.88 155 A 1 
ATOM   1199 C CA  . GLU   A 1  155 ? 15.640  18.723  -6.801  1.00 93.68 155 A 1 
ATOM   1200 C C   . GLU   A 1  155 ? 16.800  17.846  -7.245  1.00 93.39 155 A 1 
ATOM   1201 O O   . GLU   A 1  155 ? 17.944  18.093  -6.868  1.00 91.00 155 A 1 
ATOM   1202 C CB  . GLU   A 1  155 ? 15.682  20.074  -7.511  1.00 92.12 155 A 1 
ATOM   1203 C CG  . GLU   A 1  155 ? 14.514  20.980  -7.157  1.00 88.95 155 A 1 
ATOM   1204 C CD  . GLU   A 1  155 ? 14.569  22.327  -7.854  1.00 90.04 155 A 1 
ATOM   1205 O OE1 . GLU   A 1  155 ? 15.672  22.751  -8.251  1.00 84.60 155 A 1 
ATOM   1206 O OE2 . GLU   A 1  155 ? 13.506  22.969  -7.997  1.00 85.57 155 A 1 
ATOM   1207 N N   . CYS   A 1  156 ? 16.501  16.836  -8.030  1.00 92.90 156 A 1 
ATOM   1208 C CA  . CYS   A 1  156 ? 17.546  15.902  -8.433  1.00 92.35 156 A 1 
ATOM   1209 C C   . CYS   A 1  156 ? 17.437  15.466  -9.888  1.00 92.20 156 A 1 
ATOM   1210 O O   . CYS   A 1  156 ? 16.449  15.740  -10.571 1.00 90.23 156 A 1 
ATOM   1211 C CB  . CYS   A 1  156 ? 17.520  14.662  -7.537  1.00 90.73 156 A 1 
ATOM   1212 S SG  . CYS   A 1  156 ? 16.130  13.553  -7.846  1.00 86.89 156 A 1 
ATOM   1213 N N   . SER   A 1  157 ? 18.478  14.792  -10.335 1.00 91.46 157 A 1 
ATOM   1214 C CA  . SER   A 1  157 ? 18.520  14.226  -11.675 1.00 91.22 157 A 1 
ATOM   1215 C C   . SER   A 1  157 ? 19.189  12.859  -11.609 1.00 90.89 157 A 1 
ATOM   1216 O O   . SER   A 1  157 ? 20.348  12.756  -11.213 1.00 88.28 157 A 1 
ATOM   1217 C CB  . SER   A 1  157 ? 19.300  15.130  -12.621 1.00 90.12 157 A 1 
ATOM   1218 O OG  . SER   A 1  157 ? 19.537  14.473  -13.861 1.00 82.17 157 A 1 
ATOM   1219 N N   . SER   A 1  158 ? 18.464  11.832  -11.993 1.00 89.96 158 A 1 
ATOM   1220 C CA  . SER   A 1  158 ? 19.044  10.493  -12.016 1.00 89.07 158 A 1 
ATOM   1221 C C   . SER   A 1  158 ? 20.058  10.368  -13.149 1.00 88.71 158 A 1 
ATOM   1222 O O   . SER   A 1  158 ? 21.030  9.625   -13.037 1.00 86.16 158 A 1 
ATOM   1223 C CB  . SER   A 1  158 ? 17.957  9.434   -12.172 1.00 87.71 158 A 1 
ATOM   1224 O OG  . SER   A 1  158 ? 17.108  9.407   -11.040 1.00 77.53 158 A 1 
ATOM   1225 N N   . LYS   A 1  159 ? 19.828  11.100  -14.224 1.00 88.25 159 A 1 
ATOM   1226 C CA  . LYS   A 1  159 ? 20.729  11.056  -15.373 1.00 87.54 159 A 1 
ATOM   1227 C C   . LYS   A 1  159 ? 22.131  11.538  -15.008 1.00 87.51 159 A 1 
ATOM   1228 O O   . LYS   A 1  159 ? 23.125  10.918  -15.387 1.00 84.53 159 A 1 
ATOM   1229 C CB  . LYS   A 1  159 ? 20.171  11.903  -16.515 1.00 85.73 159 A 1 
ATOM   1230 C CG  . LYS   A 1  159 ? 21.015  11.858  -17.779 1.00 80.30 159 A 1 
ATOM   1231 C CD  . LYS   A 1  159 ? 20.407  12.699  -18.885 1.00 74.33 159 A 1 
ATOM   1232 C CE  . LYS   A 1  159 ? 21.263  12.664  -20.137 1.00 66.63 159 A 1 
ATOM   1233 N NZ  . LYS   A 1  159 ? 20.686  13.492  -21.229 1.00 59.78 159 A 1 
ATOM   1234 N N   . THR   A 1  160 ? 22.201  12.633  -14.281 1.00 88.18 160 A 1 
ATOM   1235 C CA  . THR   A 1  160 ? 23.487  13.182  -13.854 1.00 87.05 160 A 1 
ATOM   1236 C C   . THR   A 1  160 ? 23.847  12.749  -12.436 1.00 87.11 160 A 1 
ATOM   1237 O O   . THR   A 1  160 ? 24.944  13.042  -11.959 1.00 83.35 160 A 1 
ATOM   1238 C CB  . THR   A 1  160 ? 23.480  14.718  -13.903 1.00 85.45 160 A 1 
ATOM   1239 O OG1 . THR   A 1  160 ? 22.552  15.224  -12.936 1.00 75.98 160 A 1 
ATOM   1240 C CG2 . THR   A 1  160 ? 23.091  15.217  -15.286 1.00 73.08 160 A 1 
ATOM   1241 N N   . GLN   A 1  161 ? 22.918  12.066  -11.785 1.00 89.58 161 A 1 
ATOM   1242 C CA  . GLN   A 1  161 ? 23.070  11.612  -10.404 1.00 89.40 161 A 1 
ATOM   1243 C C   . GLN   A 1  161 ? 23.130  12.771  -9.410  1.00 90.34 161 A 1 
ATOM   1244 O O   . GLN   A 1  161 ? 23.498  12.588  -8.247  1.00 87.44 161 A 1 
ATOM   1245 C CB  . GLN   A 1  161 ? 24.305  10.720  -10.249 1.00 87.12 161 A 1 
ATOM   1246 C CG  . GLN   A 1  161 ? 24.296  9.493   -11.154 1.00 79.88 161 A 1 
ATOM   1247 C CD  . GLN   A 1  161 ? 25.471  8.570   -10.902 1.00 73.64 161 A 1 
ATOM   1248 O OE1 . GLN   A 1  161 ? 26.066  8.584   -9.832  1.00 66.52 161 A 1 
ATOM   1249 N NE2 . GLN   A 1  161 ? 25.810  7.754   -11.892 1.00 63.33 161 A 1 
ATOM   1250 N N   . GLN   A 1  162 ? 22.763  13.957  -9.867  1.00 90.14 162 A 1 
ATOM   1251 C CA  . GLN   A 1  162 ? 22.790  15.134  -9.008  1.00 90.12 162 A 1 
ATOM   1252 C C   . GLN   A 1  162 ? 21.726  15.055  -7.918  1.00 90.46 162 A 1 
ATOM   1253 O O   . GLN   A 1  162 ? 20.540  14.929  -8.204  1.00 87.84 162 A 1 
ATOM   1254 C CB  . GLN   A 1  162 ? 22.595  16.402  -9.836  1.00 88.70 162 A 1 
ATOM   1255 C CG  . GLN   A 1  162 ? 22.691  17.688  -9.026  1.00 79.54 162 A 1 
ATOM   1256 C CD  . GLN   A 1  162 ? 22.566  18.936  -9.883  1.00 75.81 162 A 1 
ATOM   1257 O OE1 . GLN   A 1  162 ? 22.402  18.849  -11.101 1.00 68.55 162 A 1 
ATOM   1258 N NE2 . GLN   A 1  162 ? 22.646  20.100  -9.258  1.00 65.94 162 A 1 
ATOM   1259 N N   . ASN   A 1  163 ? 22.186  15.134  -6.678  1.00 89.05 163 A 1 
ATOM   1260 C CA  . ASN   A 1  163 ? 21.323  15.144  -5.496  1.00 89.94 163 A 1 
ATOM   1261 C C   . ASN   A 1  163 ? 20.527  13.863  -5.245  1.00 90.51 163 A 1 
ATOM   1262 O O   . ASN   A 1  163 ? 19.684  13.830  -4.351  1.00 86.52 163 A 1 
ATOM   1263 C CB  . ASN   A 1  163 ? 20.356  16.336  -5.533  1.00 88.09 163 A 1 
ATOM   1264 C CG  . ASN   A 1  163 ? 21.046  17.647  -5.221  1.00 87.09 163 A 1 
ATOM   1265 O OD1 . ASN   A 1  163 ? 22.093  17.672  -4.580  1.00 77.23 163 A 1 
ATOM   1266 N ND2 . ASN   A 1  163 ? 20.454  18.746  -5.672  1.00 78.03 163 A 1 
ATOM   1267 N N   . VAL   A 1  164 ? 20.806  12.824  -6.003  1.00 90.57 164 A 1 
ATOM   1268 C CA  . VAL   A 1  164 ? 20.081  11.570  -5.784  1.00 90.77 164 A 1 
ATOM   1269 C C   . VAL   A 1  164 ? 20.422  11.001  -4.410  1.00 90.83 164 A 1 
ATOM   1270 O O   . VAL   A 1  164 ? 19.540  10.594  -3.654  1.00 89.04 164 A 1 
ATOM   1271 C CB  . VAL   A 1  164 ? 20.391  10.541  -6.884  1.00 89.79 164 A 1 
ATOM   1272 C CG1 . VAL   A 1  164 ? 19.801  9.183   -6.529  1.00 80.69 164 A 1 
ATOM   1273 C CG2 . VAL   A 1  164 ? 19.830  11.019  -8.215  1.00 80.86 164 A 1 
ATOM   1274 N N   . LYS   A 1  165 ? 21.702  10.982  -4.094  1.00 91.24 165 A 1 
ATOM   1275 C CA  . LYS   A 1  165 ? 22.119  10.496  -2.785  1.00 90.66 165 A 1 
ATOM   1276 C C   . LYS   A 1  165 ? 21.609  11.423  -1.684  1.00 91.37 165 A 1 
ATOM   1277 O O   . LYS   A 1  165 ? 21.266  10.976  -0.588  1.00 90.42 165 A 1 
ATOM   1278 C CB  . LYS   A 1  165 ? 23.638  10.382  -2.715  1.00 88.78 165 A 1 
ATOM   1279 C CG  . LYS   A 1  165 ? 24.157  9.764   -1.427  1.00 80.80 165 A 1 
ATOM   1280 C CD  . LYS   A 1  165 ? 25.665  9.576   -1.463  1.00 75.53 165 A 1 
ATOM   1281 C CE  . LYS   A 1  165 ? 26.164  8.879   -0.207  1.00 66.65 165 A 1 
ATOM   1282 N NZ  . LYS   A 1  165 ? 25.952  9.692   1.024   1.00 59.27 165 A 1 
ATOM   1283 N N   . ALA   A 1  166 ? 21.555  12.717  -1.988  1.00 91.86 166 A 1 
ATOM   1284 C CA  . ALA   A 1  166 ? 21.072  13.702  -1.025  1.00 92.16 166 A 1 
ATOM   1285 C C   . ALA   A 1  166 ? 19.617  13.450  -0.642  1.00 92.82 166 A 1 
ATOM   1286 O O   . ALA   A 1  166 ? 19.220  13.705  0.497   1.00 91.09 166 A 1 
ATOM   1287 C CB  . ALA   A 1  166 ? 21.228  15.111  -1.585  1.00 91.20 166 A 1 
ATOM   1288 N N   . VAL   A 1  167 ? 18.845  12.969  -1.596  1.00 91.98 167 A 1 
ATOM   1289 C CA  . VAL   A 1  167 ? 17.437  12.670  -1.335  1.00 92.13 167 A 1 
ATOM   1290 C C   . VAL   A 1  167 ? 17.295  11.672  -0.191  1.00 92.21 167 A 1 
ATOM   1291 O O   . VAL   A 1  167 ? 16.571  11.912  0.780   1.00 90.80 167 A 1 
ATOM   1292 C CB  . VAL   A 1  167 ? 16.745  12.109  -2.591  1.00 91.50 167 A 1 
ATOM   1293 C CG1 . VAL   A 1  167 ? 15.370  11.547  -2.242  1.00 82.78 167 A 1 
ATOM   1294 C CG2 . VAL   A 1  167 ? 16.617  13.197  -3.649  1.00 83.09 167 A 1 
ATOM   1295 N N   . PHE   A 1  168 ? 17.990  10.567  -0.308  1.00 92.37 168 A 1 
ATOM   1296 C CA  . PHE   A 1  168 ? 17.849  9.512   0.687   1.00 92.08 168 A 1 
ATOM   1297 C C   . PHE   A 1  168 ? 18.638  9.780   1.960   1.00 92.24 168 A 1 
ATOM   1298 O O   . PHE   A 1  168 ? 18.227  9.358   3.041   1.00 90.18 168 A 1 
ATOM   1299 C CB  . PHE   A 1  168 ? 18.210  8.173   0.059   1.00 91.16 168 A 1 
ATOM   1300 C CG  . PHE   A 1  168 ? 17.309  7.807   -1.085  1.00 90.49 168 A 1 
ATOM   1301 C CD1 . PHE   A 1  168 ? 16.045  7.290   -0.847  1.00 84.15 168 A 1 
ATOM   1302 C CD2 . PHE   A 1  168 ? 17.698  8.032   -2.397  1.00 84.51 168 A 1 
ATOM   1303 C CE1 . PHE   A 1  168 ? 15.192  6.990   -1.894  1.00 83.61 168 A 1 
ATOM   1304 C CE2 . PHE   A 1  168 ? 16.846  7.735   -3.449  1.00 82.34 168 A 1 
ATOM   1305 C CZ  . PHE   A 1  168 ? 15.590  7.210   -3.197  1.00 86.63 168 A 1 
ATOM   1306 N N   . ASP   A 1  169 ? 19.737  10.485  1.836   1.00 91.74 169 A 1 
ATOM   1307 C CA  . ASP   A 1  169 ? 20.470  10.882  3.037   1.00 91.13 169 A 1 
ATOM   1308 C C   . ASP   A 1  169 ? 19.603  11.823  3.872   1.00 91.82 169 A 1 
ATOM   1309 O O   . ASP   A 1  169 ? 19.553  11.716  5.098   1.00 90.51 169 A 1 
ATOM   1310 C CB  . ASP   A 1  169 ? 21.781  11.579  2.676   1.00 89.28 169 A 1 
ATOM   1311 C CG  . ASP   A 1  169 ? 22.852  10.610  2.201   1.00 85.49 169 A 1 
ATOM   1312 O OD1 . ASP   A 1  169 ? 22.632  9.386   2.265   1.00 78.67 169 A 1 
ATOM   1313 O OD2 . ASP   A 1  169 ? 23.921  11.087  1.775   1.00 78.59 169 A 1 
ATOM   1314 N N   . THR   A 1  170 ? 18.922  12.733  3.197   1.00 92.20 170 A 1 
ATOM   1315 C CA  . THR   A 1  170 ? 18.032  13.668  3.881   1.00 92.52 170 A 1 
ATOM   1316 C C   . THR   A 1  170 ? 16.861  12.925  4.517   1.00 92.72 170 A 1 
ATOM   1317 O O   . THR   A 1  170 ? 16.462  13.227  5.643   1.00 91.12 170 A 1 
ATOM   1318 C CB  . THR   A 1  170 ? 17.500  14.735  2.913   1.00 92.01 170 A 1 
ATOM   1319 O OG1 . THR   A 1  170 ? 18.596  15.492  2.392   1.00 80.20 170 A 1 
ATOM   1320 C CG2 . THR   A 1  170 ? 16.533  15.680  3.618   1.00 77.58 170 A 1 
ATOM   1321 N N   . ALA   A 1  171 ? 16.331  11.970  3.792   1.00 93.08 171 A 1 
ATOM   1322 C CA  . ALA   A 1  171 ? 15.225  11.173  4.316   1.00 92.84 171 A 1 
ATOM   1323 C C   . ALA   A 1  171 ? 15.633  10.480  5.615   1.00 92.66 171 A 1 
ATOM   1324 O O   . ALA   A 1  171 ? 14.881  10.479  6.592   1.00 91.11 171 A 1 
ATOM   1325 C CB  . ALA   A 1  171 ? 14.783  10.145  3.285   1.00 92.38 171 A 1 
ATOM   1326 N N   . ILE   A 1  172 ? 16.817  9.915   5.619   1.00 92.61 172 A 1 
ATOM   1327 C CA  . ILE   A 1  172 ? 17.322  9.245   6.817   1.00 91.95 172 A 1 
ATOM   1328 C C   . ILE   A 1  172 ? 17.474  10.242  7.965   1.00 91.42 172 A 1 
ATOM   1329 O O   . ILE   A 1  172 ? 17.081  9.961   9.100   1.00 89.71 172 A 1 
ATOM   1330 C CB  . ILE   A 1  172 ? 18.666  8.550   6.533   1.00 90.99 172 A 1 
ATOM   1331 C CG1 . ILE   A 1  172 ? 18.457  7.383   5.565   1.00 85.12 172 A 1 
ATOM   1332 C CG2 . ILE   A 1  172 ? 19.303  8.061   7.827   1.00 84.49 172 A 1 
ATOM   1333 C CD1 . ILE   A 1  172 ? 19.739  6.793   5.017   1.00 81.46 172 A 1 
ATOM   1334 N N   . LYS   A 1  173 ? 18.024  11.399  7.662   1.00 91.93 173 A 1 
ATOM   1335 C CA  . LYS   A 1  173 ? 18.220  12.427  8.686   1.00 91.26 173 A 1 
ATOM   1336 C C   . LYS   A 1  173 ? 16.896  12.885  9.288   1.00 91.08 173 A 1 
ATOM   1337 O O   . LYS   A 1  173 ? 16.804  13.122  10.493  1.00 89.14 173 A 1 
ATOM   1338 C CB  . LYS   A 1  173 ? 18.960  13.629  8.102   1.00 90.21 173 A 1 
ATOM   1339 C CG  . LYS   A 1  173 ? 20.400  13.346  7.713   1.00 84.69 173 A 1 
ATOM   1340 C CD  . LYS   A 1  173 ? 21.041  14.565  7.071   1.00 80.09 173 A 1 
ATOM   1341 C CE  . LYS   A 1  173 ? 22.449  14.266  6.587   1.00 72.66 173 A 1 
ATOM   1342 N NZ  . LYS   A 1  173 ? 23.068  15.437  5.902   1.00 65.22 173 A 1 
ATOM   1343 N N   . VAL   A 1  174 ? 15.894  13.022  8.448   1.00 91.43 174 A 1 
ATOM   1344 C CA  . VAL   A 1  174 ? 14.577  13.446  8.919   1.00 91.08 174 A 1 
ATOM   1345 C C   . VAL   A 1  174 ? 14.008  12.425  9.901   1.00 90.57 174 A 1 
ATOM   1346 O O   . VAL   A 1  174 ? 13.416  12.789  10.920  1.00 88.51 174 A 1 
ATOM   1347 C CB  . VAL   A 1  174 ? 13.604  13.650  7.744   1.00 90.92 174 A 1 
ATOM   1348 C CG1 . VAL   A 1  174 ? 12.175  13.834  8.247   1.00 83.57 174 A 1 
ATOM   1349 C CG2 . VAL   A 1  174 ? 14.021  14.860  6.921   1.00 83.95 174 A 1 
ATOM   1350 N N   . VAL   A 1  175 ? 14.193  11.165  9.594   1.00 91.53 175 A 1 
ATOM   1351 C CA  . VAL   A 1  175 ? 13.697  10.109  10.478  1.00 90.59 175 A 1 
ATOM   1352 C C   . VAL   A 1  175 ? 14.450  10.110  11.805  1.00 89.20 175 A 1 
ATOM   1353 O O   . VAL   A 1  175 ? 13.849  9.990   12.875  1.00 85.78 175 A 1 
ATOM   1354 C CB  . VAL   A 1  175 ? 13.819  8.724   9.818   1.00 90.17 175 A 1 
ATOM   1355 C CG1 . VAL   A 1  175 ? 13.450  7.624   10.811  1.00 82.49 175 A 1 
ATOM   1356 C CG2 . VAL   A 1  175 ? 12.922  8.646   8.596   1.00 83.79 175 A 1 
ATOM   1357 N N   . LEU   A 1  176 ? 15.756  10.246  11.729  1.00 90.29 176 A 1 
ATOM   1358 C CA  . LEU   A 1  176 ? 16.580  10.229  12.935  1.00 88.50 176 A 1 
ATOM   1359 C C   . LEU   A 1  176 ? 16.368  11.468  13.800  1.00 86.48 176 A 1 
ATOM   1360 O O   . LEU   A 1  176 ? 16.447  11.391  15.029  1.00 81.00 176 A 1 
ATOM   1361 C CB  . LEU   A 1  176 ? 18.055  10.105  12.563  1.00 86.95 176 A 1 
ATOM   1362 C CG  . LEU   A 1  176 ? 18.463  8.815   11.851  1.00 83.83 176 A 1 
ATOM   1363 C CD1 . LEU   A 1  176 ? 19.926  8.877   11.444  1.00 77.90 176 A 1 
ATOM   1364 C CD2 . LEU   A 1  176 ? 18.208  7.605   12.738  1.00 78.09 176 A 1 
ATOM   1365 N N   . GLN   A 1  177 ? 16.096  12.586  13.155  1.00 86.61 177 A 1 
ATOM   1366 C CA  . GLN   A 1  177 ? 15.863  13.838  13.871  1.00 83.63 177 A 1 
ATOM   1367 C C   . GLN   A 1  177 ? 14.672  14.582  13.274  1.00 81.81 177 A 1 
ATOM   1368 O O   . GLN   A 1  177 ? 14.835  15.546  12.524  1.00 73.57 177 A 1 
ATOM   1369 C CB  . GLN   A 1  177 ? 17.110  14.723  13.827  1.00 79.97 177 A 1 
ATOM   1370 C CG  . GLN   A 1  177 ? 18.310  14.134  14.538  1.00 71.06 177 A 1 
ATOM   1371 C CD  . GLN   A 1  177 ? 19.534  15.026  14.462  1.00 65.04 177 A 1 
ATOM   1372 O OE1 . GLN   A 1  177 ? 19.588  15.951  13.657  1.00 58.84 177 A 1 
ATOM   1373 N NE2 . GLN   A 1  177 ? 20.523  14.747  15.298  1.00 56.20 177 A 1 
ATOM   1374 N N   . PRO   A 1  178 ? 13.470  14.146  13.605  1.00 80.02 178 A 1 
ATOM   1375 C CA  . PRO   A 1  178 ? 12.258  14.774  13.068  1.00 76.14 178 A 1 
ATOM   1376 C C   . PRO   A 1  178 ? 12.141  16.245  13.466  1.00 74.22 178 A 1 
ATOM   1377 O O   . PRO   A 1  178 ? 12.482  16.607  14.594  1.00 66.85 178 A 1 
ATOM   1378 C CB  . PRO   A 1  178 ? 11.125  13.953  13.692  1.00 72.43 178 A 1 
ATOM   1379 C CG  . PRO   A 1  178 ? 11.758  12.676  14.120  1.00 70.78 178 A 1 
ATOM   1380 C CD  . PRO   A 1  178 ? 13.152  13.030  14.508  1.00 73.67 178 A 1 
ATOM   1381 N N   . PRO   A 1  179 ? 11.659  17.083  12.548  1.00 73.90 179 A 1 
ATOM   1382 C CA  . PRO   A 1  179 ? 11.472  18.502  12.868  1.00 70.04 179 A 1 
ATOM   1383 C C   . PRO   A 1  179 ? 10.308  18.694  13.838  1.00 68.51 179 A 1 
ATOM   1384 O O   . PRO   A 1  179 ? 9.201   18.227  13.584  1.00 61.93 179 A 1 
ATOM   1385 C CB  . PRO   A 1  179 ? 11.177  19.128  11.504  1.00 65.16 179 A 1 
ATOM   1386 C CG  . PRO   A 1  179 ? 10.574  18.022  10.710  1.00 62.15 179 A 1 
ATOM   1387 C CD  . PRO   A 1  179 ? 11.289  16.776  11.161  1.00 64.68 179 A 1 
ATOM   1388 N N   . ARG   A 1  180 ? 10.573  19.375  14.927  1.00 61.77 180 A 1 
ATOM   1389 C CA  . ARG   A 1  180 ? 9.543   19.606  15.935  1.00 60.19 180 A 1 
ATOM   1390 C C   . ARG   A 1  180 ? 8.542   20.676  15.508  1.00 58.35 180 A 1 
ATOM   1391 O O   . ARG   A 1  180 ? 7.382   20.654  15.926  1.00 54.34 180 A 1 
ATOM   1392 C CB  . ARG   A 1  180 ? 10.186  20.001  17.267  1.00 55.50 180 A 1 
ATOM   1393 C CG  . ARG   A 1  180 ? 9.190   20.176  18.401  1.00 50.73 180 A 1 
ATOM   1394 C CD  . ARG   A 1  180 ? 9.889   20.515  19.699  1.00 47.89 180 A 1 
ATOM   1395 N NE  . ARG   A 1  180 ? 8.941   20.720  20.792  1.00 42.51 180 A 1 
ATOM   1396 C CZ  . ARG   A 1  180 ? 9.282   21.018  22.038  1.00 37.65 180 A 1 
ATOM   1397 N NH1 . ARG   A 1  180 ? 10.555  21.145  22.367  1.00 35.52 180 A 1 
ATOM   1398 N NH2 . ARG   A 1  180 ? 8.354   21.189  22.955  1.00 33.11 180 A 1 
ATOM   1399 N N   . ARG   A 1  181 ? 8.987   21.606  14.679  1.00 55.04 181 A 1 
ATOM   1400 C CA  . ARG   A 1  181 ? 8.125   22.710  14.262  1.00 54.35 181 A 1 
ATOM   1401 C C   . ARG   A 1  181 ? 6.922   22.262  13.434  1.00 53.96 181 A 1 
ATOM   1402 O O   . ARG   A 1  181 ? 5.905   22.953  13.400  1.00 51.12 181 A 1 
ATOM   1403 C CB  . ARG   A 1  181 ? 8.933   23.746  13.485  1.00 50.18 181 A 1 
ATOM   1404 C CG  . ARG   A 1  181 ? 9.972   24.467  14.335  1.00 46.07 181 A 1 
ATOM   1405 C CD  . ARG   A 1  181 ? 9.308   25.311  15.396  1.00 44.00 181 A 1 
ATOM   1406 N NE  . ARG   A 1  181 ? 10.274  26.010  16.234  1.00 39.56 181 A 1 
ATOM   1407 C CZ  . ARG   A 1  181 ? 10.821  25.515  17.336  1.00 35.74 181 A 1 
ATOM   1408 N NH1 . ARG   A 1  181 ? 10.498  24.307  17.748  1.00 34.20 181 A 1 
ATOM   1409 N NH2 . ARG   A 1  181 ? 11.688  26.237  18.017  1.00 31.65 181 A 1 
ATOM   1410 N N   . LYS   A 1  182 ? 7.047   21.130  12.805  1.00 51.66 182 A 1 
ATOM   1411 C CA  . LYS   A 1  182 ? 5.921   20.608  12.038  1.00 52.32 182 A 1 
ATOM   1412 C C   . LYS   A 1  182 ? 4.920   19.921  12.961  1.00 51.62 182 A 1 
ATOM   1413 O O   . LYS   A 1  182 ? 3.750   19.758  12.619  1.00 49.49 182 A 1 
ATOM   1414 C CB  . LYS   A 1  182 ? 6.406   19.635  10.966  1.00 49.92 182 A 1 
ATOM   1415 C CG  . LYS   A 1  182 ? 5.283   19.010  10.135  1.00 46.99 182 A 1 
ATOM   1416 C CD  . LYS   A 1  182 ? 4.421   20.056  9.463   1.00 44.64 182 A 1 
ATOM   1417 C CE  . LYS   A 1  182 ? 3.282   19.410  8.687   1.00 40.62 182 A 1 
ATOM   1418 N NZ  . LYS   A 1  182 ? 2.371   20.415  8.086   1.00 38.30 182 A 1 
ATOM   1419 N N   . GLU   A 1  183 ? 5.379   19.523  14.114  1.00 50.02 183 A 1 
ATOM   1420 C CA  . GLU   A 1  183 ? 4.507   18.855  15.074  1.00 50.61 183 A 1 
ATOM   1421 C C   . GLU   A 1  183 ? 3.496   19.823  15.679  1.00 49.84 183 A 1 
ATOM   1422 O O   . GLU   A 1  183 ? 2.355   19.443  15.955  1.00 47.52 183 A 1 
ATOM   1423 C CB  . GLU   A 1  183 ? 5.328   18.202  16.185  1.00 47.42 183 A 1 
ATOM   1424 C CG  . GLU   A 1  183 ? 4.498   17.423  17.197  1.00 43.40 183 A 1 
ATOM   1425 C CD  . GLU   A 1  183 ? 5.336   16.788  18.292  1.00 41.45 183 A 1 
ATOM   1426 O OE1 . GLU   A 1  183 ? 6.567   16.948  18.255  1.00 38.03 183 A 1 
ATOM   1427 O OE2 . GLU   A 1  183 ? 4.752   16.140  19.180  1.00 38.80 183 A 1 
ATOM   1428 N N   . VAL   A 1  184 ? 3.916   21.058  15.881  1.00 47.83 184 A 1 
ATOM   1429 C CA  . VAL   A 1  184 ? 3.042   22.074  16.464  1.00 48.57 184 A 1 
ATOM   1430 C C   . VAL   A 1  184 ? 1.810   22.363  15.596  1.00 48.16 184 A 1 
ATOM   1431 O O   . VAL   A 1  184 ? 0.682   22.289  16.089  1.00 45.21 184 A 1 
ATOM   1432 C CB  . VAL   A 1  184 ? 3.811   23.375  16.755  1.00 45.17 184 A 1 
ATOM   1433 C CG1 . VAL   A 1  184 ? 2.864   24.438  17.303  1.00 40.67 184 A 1 
ATOM   1434 C CG2 . VAL   A 1  184 ? 4.933   23.109  17.744  1.00 41.27 184 A 1 
ATOM   1435 N N   . PRO   A 1  185 ? 1.998   22.689  14.321  1.00 51.28 185 A 1 
ATOM   1436 C CA  . PRO   A 1  185 ? 0.805   22.919  13.488  1.00 51.47 185 A 1 
ATOM   1437 C C   . PRO   A 1  185 ? 0.004   21.648  13.249  1.00 50.71 185 A 1 
ATOM   1438 O O   . PRO   A 1  185 ? -1.200  21.712  13.020  1.00 48.73 185 A 1 
ATOM   1439 C CB  . PRO   A 1  185 ? 1.383   23.462  12.179  1.00 49.53 185 A 1 
ATOM   1440 C CG  . PRO   A 1  185 ? 2.765   22.927  12.148  1.00 48.51 185 A 1 
ATOM   1441 C CD  . PRO   A 1  185 ? 3.218   22.922  13.575  1.00 50.51 185 A 1 
ATOM   1442 N N   . ARG   A 1  186 ? 0.658   20.517  13.313  1.00 53.81 186 A 1 
ATOM   1443 C CA  . ARG   A 1  186 ? -0.032  19.250  13.109  1.00 55.41 186 A 1 
ATOM   1444 C C   . ARG   A 1  186 ? -0.993  18.950  14.255  1.00 53.75 186 A 1 
ATOM   1445 O O   . ARG   A 1  186 ? -2.070  18.402  14.039  1.00 51.25 186 A 1 
ATOM   1446 C CB  . ARG   A 1  186 ? 0.971   18.107  12.948  1.00 52.82 186 A 1 
ATOM   1447 C CG  . ARG   A 1  186 ? 0.318   16.787  12.579  1.00 49.09 186 A 1 
ATOM   1448 C CD  . ARG   A 1  186 ? 1.358   15.730  12.262  1.00 46.61 186 A 1 
ATOM   1449 N NE  . ARG   A 1  186 ? 2.198   15.413  13.401  1.00 42.59 186 A 1 
ATOM   1450 C CZ  . ARG   A 1  186 ? 3.246   14.592  13.364  1.00 39.96 186 A 1 
ATOM   1451 N NH1 . ARG   A 1  186 ? 3.579   13.995  12.231  1.00 37.87 186 A 1 
ATOM   1452 N NH2 . ARG   A 1  186 ? 3.956   14.366  14.457  1.00 35.77 186 A 1 
ATOM   1453 N N   . ARG   A 1  187 ? -0.609  19.294  15.448  1.00 54.19 187 A 1 
ATOM   1454 C CA  . ARG   A 1  187 ? -1.484  19.067  16.588  1.00 56.11 187 A 1 
ATOM   1455 C C   . ARG   A 1  187 ? -2.656  20.046  16.597  1.00 55.04 187 A 1 
ATOM   1456 O O   . ARG   A 1  187 ? -3.690  19.775  17.199  1.00 53.23 187 A 1 
ATOM   1457 C CB  . ARG   A 1  187 ? -0.705  19.170  17.905  1.00 52.83 187 A 1 
ATOM   1458 C CG  . ARG   A 1  187 ? -0.219  20.570  18.233  1.00 48.52 187 A 1 
ATOM   1459 C CD  . ARG   A 1  187 ? 0.514   20.595  19.559  1.00 46.28 187 A 1 
ATOM   1460 N NE  . ARG   A 1  187 ? 0.967   21.930  19.912  1.00 42.40 187 A 1 
ATOM   1461 C CZ  . ARG   A 1  187 ? 1.626   22.243  21.027  1.00 39.26 187 A 1 
ATOM   1462 N NH1 . ARG   A 1  187 ? 1.912   21.302  21.907  1.00 37.55 187 A 1 
ATOM   1463 N NH2 . ARG   A 1  187 ? 1.992   23.493  21.253  1.00 35.80 187 A 1 
ATOM   1464 N N   . ARG   A 1  188 ? -2.481  21.171  15.931  1.00 51.84 188 A 1 
ATOM   1465 C CA  . ARG   A 1  188 ? -3.558  22.144  15.816  1.00 53.46 188 A 1 
ATOM   1466 C C   . ARG   A 1  188 ? -4.654  21.631  14.886  1.00 51.60 188 A 1 
ATOM   1467 O O   . ARG   A 1  188 ? -5.834  21.892  15.096  1.00 49.07 188 A 1 
ATOM   1468 C CB  . ARG   A 1  188 ? -3.026  23.470  15.286  1.00 51.24 188 A 1 
ATOM   1469 C CG  . ARG   A 1  188 ? -2.066  24.179  16.226  1.00 47.17 188 A 1 
ATOM   1470 C CD  . ARG   A 1  188 ? -2.769  24.685  17.466  1.00 44.08 188 A 1 
ATOM   1471 N NE  . ARG   A 1  188 ? -1.876  25.440  18.338  1.00 40.45 188 A 1 
ATOM   1472 C CZ  . ARG   A 1  188 ? -2.217  25.955  19.516  1.00 37.72 188 A 1 
ATOM   1473 N NH1 . ARG   A 1  188 ? -3.445  25.791  19.980  1.00 35.69 188 A 1 
ATOM   1474 N NH2 . ARG   A 1  188 ? -1.335  26.624  20.226  1.00 33.86 188 A 1 
ATOM   1475 N N   . LYS   A 1  189 ? -4.236  20.919  13.867  1.00 51.86 189 A 1 
ATOM   1476 C CA  . LYS   A 1  189 ? -5.177  20.355  12.908  1.00 52.34 189 A 1 
ATOM   1477 C C   . LYS   A 1  189 ? -5.679  18.980  13.331  1.00 51.26 189 A 1 
ATOM   1478 O O   . LYS   A 1  189 ? -6.676  18.492  12.795  1.00 48.36 189 A 1 
ATOM   1479 C CB  . LYS   A 1  189 ? -4.535  20.259  11.528  1.00 49.68 189 A 1 
ATOM   1480 C CG  . LYS   A 1  189 ? -4.179  21.602  10.920  1.00 46.32 189 A 1 
ATOM   1481 C CD  . LYS   A 1  189 ? -3.564  21.433  9.553   1.00 43.62 189 A 1 
ATOM   1482 C CE  . LYS   A 1  189 ? -3.211  22.773  8.932   1.00 39.54 189 A 1 
ATOM   1483 N NZ  . LYS   A 1  189 ? -2.600  22.624  7.581   1.00 37.90 189 A 1 
ATOM   1484 N N   . ASN   A 1  190 ? -4.988  18.384  14.260  1.00 56.06 190 A 1 
ATOM   1485 C CA  . ASN   A 1  190 ? -5.348  17.045  14.701  1.00 57.06 190 A 1 
ATOM   1486 C C   . ASN   A 1  190 ? -6.345  17.076  15.859  1.00 56.86 190 A 1 
ATOM   1487 O O   . ASN   A 1  190 ? -6.032  17.552  16.946  1.00 51.60 190 A 1 
ATOM   1488 C CB  . ASN   A 1  190 ? -4.094  16.273  15.112  1.00 52.73 190 A 1 
ATOM   1489 C CG  . ASN   A 1  190 ? -4.388  14.835  15.474  1.00 47.36 190 A 1 
ATOM   1490 O OD1 . ASN   A 1  190 ? -5.398  14.275  15.054  1.00 43.89 190 A 1 
ATOM   1491 N ND2 . ASN   A 1  190 ? -3.503  14.233  16.255  1.00 43.42 190 A 1 
ATOM   1492 N N   . HIS   A 1  191 ? -7.530  16.559  15.600  1.00 53.37 191 A 1 
ATOM   1493 C CA  . HIS   A 1  191 ? -8.544  16.475  16.630  1.00 53.97 191 A 1 
ATOM   1494 C C   . HIS   A 1  191 ? -8.331  15.216  17.470  1.00 51.44 191 A 1 
ATOM   1495 O O   . HIS   A 1  191 ? -7.662  14.276  17.048  1.00 48.79 191 A 1 
ATOM   1496 C CB  . HIS   A 1  191 ? -9.938  16.464  16.008  1.00 52.31 191 A 1 
ATOM   1497 C CG  . HIS   A 1  191 ? -10.302 17.749  15.333  1.00 48.81 191 A 1 
ATOM   1498 N ND1 . HIS   A 1  191 ? -10.657 18.876  16.019  1.00 44.67 191 A 1 
ATOM   1499 C CD2 . HIS   A 1  191 ? -10.355 18.068  14.023  1.00 44.13 191 A 1 
ATOM   1500 C CE1 . HIS   A 1  191 ? -10.912 19.854  15.153  1.00 43.30 191 A 1 
ATOM   1501 N NE2 . HIS   A 1  191 ? -10.735 19.389  13.932  1.00 42.42 191 A 1 
ATOM   1502 N N   . ARG   A 1  192 ? -8.897  15.222  18.648  1.00 47.40 192 A 1 
ATOM   1503 C CA  . ARG   A 1  192 ? -8.737  14.109  19.569  1.00 50.48 192 A 1 
ATOM   1504 C C   . ARG   A 1  192 ? -9.684  12.940  19.288  1.00 49.07 192 A 1 
ATOM   1505 O O   . ARG   A 1  192 ? -10.093 12.223  20.206  1.00 45.71 192 A 1 
ATOM   1506 C CB  . ARG   A 1  192 ? -8.927  14.594  21.003  1.00 48.50 192 A 1 
ATOM   1507 C CG  . ARG   A 1  192 ? -7.868  15.564  21.483  1.00 44.83 192 A 1 
ATOM   1508 C CD  . ARG   A 1  192 ? -6.598  14.851  21.916  1.00 41.36 192 A 1 
ATOM   1509 N NE  . ARG   A 1  192 ? -5.861  14.270  20.808  1.00 37.73 192 A 1 
ATOM   1510 C CZ  . ARG   A 1  192 ? -4.851  13.396  20.931  1.00 35.61 192 A 1 
ATOM   1511 N NH1 . ARG   A 1  192 ? -4.462  13.005  22.129  1.00 33.30 192 A 1 
ATOM   1512 N NH2 . ARG   A 1  192 ? -4.242  12.928  19.859  1.00 32.01 192 A 1 
ATOM   1513 N N   . ARG   A 1  193 ? -10.011 12.782  18.033  1.00 49.54 193 A 1 
ATOM   1514 C CA  . ARG   A 1  193 ? -10.860 11.662  17.643  1.00 52.54 193 A 1 
ATOM   1515 C C   . ARG   A 1  193 ? -10.051 10.688  16.803  1.00 51.94 193 A 1 
ATOM   1516 O O   . ARG   A 1  193 ? -9.793  10.942  15.631  1.00 48.51 193 A 1 
ATOM   1517 C CB  . ARG   A 1  193 ? -12.073 12.141  16.856  1.00 50.48 193 A 1 
ATOM   1518 C CG  . ARG   A 1  193 ? -12.992 13.053  17.642  1.00 47.11 193 A 1 
ATOM   1519 C CD  . ARG   A 1  193 ? -13.634 12.323  18.812  1.00 43.95 193 A 1 
ATOM   1520 N NE  . ARG   A 1  193 ? -14.491 11.225  18.393  1.00 39.78 193 A 1 
ATOM   1521 C CZ  . ARG   A 1  193 ? -15.105 10.372  19.216  1.00 36.80 193 A 1 
ATOM   1522 N NH1 . ARG   A 1  193 ? -14.954 10.494  20.526  1.00 33.69 193 A 1 
ATOM   1523 N NH2 . ARG   A 1  193 ? -15.858 9.412   18.733  1.00 32.45 193 A 1 
ATOM   1524 N N   . SER   A 1  194 ? -9.661  9.619   17.441  1.00 54.30 194 A 1 
ATOM   1525 C CA  . SER   A 1  194 ? -8.895  8.597   16.747  1.00 57.05 194 A 1 
ATOM   1526 C C   . SER   A 1  194 ? -9.355  7.244   17.227  1.00 57.85 194 A 1 
ATOM   1527 O O   . SER   A 1  194 ? -9.429  6.998   18.427  1.00 52.90 194 A 1 
ATOM   1528 C CB  . SER   A 1  194 ? -7.406  8.758   17.008  1.00 53.77 194 A 1 
ATOM   1529 O OG  . SER   A 1  194 ? -7.125  8.590   18.379  1.00 48.84 194 A 1 
ATOM   1530 N N   . GLY   A 1  195 ? -9.679  6.406   16.276  1.00 59.53 195 A 1 
ATOM   1531 C CA  . GLY   A 1  195 ? -10.148 5.113   16.674  1.00 62.96 195 A 1 
ATOM   1532 C C   . GLY   A 1  195 ? -9.701  4.064   15.720  1.00 63.85 195 A 1 
ATOM   1533 O O   . GLY   A 1  195 ? -9.512  4.329   14.540  1.00 58.81 195 A 1 
ATOM   1534 N N   . CYS   A 1  196 ? -9.510  2.884   16.137  1.00 63.84 196 A 1 
ATOM   1535 C CA  . CYS   A 1  196 ? -9.301  1.798   15.495  1.00 70.46 196 A 1 
ATOM   1536 C C   . CYS   A 1  196 ? -9.145  0.814   15.975  1.00 67.48 196 A 1 
ATOM   1537 O O   . CYS   A 1  196 ? -8.683  1.044   16.380  1.00 62.58 196 A 1 
ATOM   1538 C CB  . CYS   A 1  196 ? -8.583  1.295   14.851  1.00 67.06 196 A 1 
ATOM   1539 S SG  . CYS   A 1  196 ? -8.931  0.135   14.903  1.00 65.91 196 A 1 
ATOM   1540 O OXT . CYS   A 1  196 ? -9.045  0.116   15.724  1.00 63.77 196 A 1 
HETATM 1541 C C1  . FAR   B 2  .   ? -9.474  -1.543  14.707  1.00 37.34 1   B 1 
HETATM 1542 C C2  . FAR   B 2  .   ? -10.094 -2.496  14.890  1.00 31.95 1   B 1 
HETATM 1543 C C3  . FAR   B 2  .   ? -11.104 -3.058  14.697  1.00 30.77 1   B 1 
HETATM 1544 C C5  . FAR   B 2  .   ? -11.304 -4.253  15.301  1.00 17.66 1   B 1 
HETATM 1545 C C6  . FAR   B 2  .   ? -12.178 -4.993  15.125  1.00 12.85 1   B 1 
HETATM 1546 C C7  . FAR   B 2  .   ? -12.500 -6.074  15.649  1.00 10.49 1   B 1 
HETATM 1547 C C8  . FAR   B 2  .   ? -13.475 -6.778  15.643  1.00 10.10 1   B 1 
HETATM 1548 C C9  . FAR   B 2  .   ? -13.614 -7.918  16.288  1.00 7.49  1   B 1 
HETATM 1549 C C11 . FAR   B 2  .   ? -14.393 -8.817  16.167  1.00 6.76  1   B 1 
HETATM 1550 C C12 . FAR   B 2  .   ? -14.811 -9.821  16.684  1.00 7.48  1   B 1 
HETATM 1551 C C13 . FAR   B 2  .   ? -15.408 -10.809 16.440  1.00 5.46  1   B 1 
HETATM 1552 C C14 . FAR   B 2  .   ? -15.872 -11.736 17.411  1.00 6.17  1   B 1 
HETATM 1553 C C15 . FAR   B 2  .   ? -15.698 -11.183 15.059  1.00 7.66  1   B 1 
HETATM 1554 C C4  . FAR   B 2  .   ? -12.141 -2.495  13.838  1.00 20.63 1   B 1 
HETATM 1555 C C10 . FAR   B 2  .   ? -14.589 -6.306  14.840  1.00 10.48 1   B 1 
HETATM 1556 C C1  . LIG_C C 3  .   ? -22.731 -20.652 0.100   1.00 3.72  1   C 1 
HETATM 1557 C C2  . LIG_C C 3  .   ? -22.423 -21.330 -0.822  1.00 4.43  1   C 1 
HETATM 1558 C C3  . LIG_C C 3  .   ? -22.044 -21.202 -1.959  1.00 3.87  1   C 1 
HETATM 1559 C C4  . LIG_C C 3  .   ? -21.713 -20.469 -2.788  1.00 4.53  1   C 1 
HETATM 1560 C C5  . LIG_C C 3  .   ? -21.402 -19.697 -3.552  1.00 3.85  1   C 1 
HETATM 1561 C C6  . LIG_C C 3  .   ? -21.101 -18.829 -4.262  1.00 3.43  1   C 1 
HETATM 1562 C C7  . LIG_C C 3  .   ? -20.802 -17.987 -4.935  1.00 3.46  1   C 1 
HETATM 1563 C C8  . LIG_C C 3  .   ? -20.520 -17.118 -5.616  1.00 3.45  1   C 1 
HETATM 1564 C C9  . LIG_C C 3  .   ? -20.242 -16.268 -6.290  1.00 3.95  1   C 1 
HETATM 1565 C C10 . LIG_C C 3  .   ? -19.972 -15.357 -6.974  1.00 4.33  1   C 1 
HETATM 1566 C C11 . LIG_C C 3  .   ? -19.745 -14.477 -7.648  1.00 4.00  1   C 1 
HETATM 1567 C C12 . LIG_C C 3  .   ? -19.531 -13.532 -8.300  1.00 4.36  1   C 1 
HETATM 1568 C C13 . LIG_C C 3  .   ? -19.380 -12.627 -8.987  1.00 3.32  1   C 1 
HETATM 1569 C C14 . LIG_C C 3  .   ? -19.238 -11.661 -9.626  1.00 3.43  1   C 1 
HETATM 1570 C C15 . LIG_C C 3  .   ? -19.165 -10.799 -10.342 1.00 3.49  1   C 1 
HETATM 1571 C C16 . LIG_C C 3  .   ? -19.028 -9.747  -10.900 1.00 3.51  1   C 1 
HETATM 1572 C C17 . LIG_C C 3  .   ? -18.983 -9.058  -11.806 1.00 3.05  1   C 1 
HETATM 1573 C C18 . LIG_C C 3  .   ? -18.809 -7.810  -12.181 1.00 3.26  1   C 1 
HETATM 1574 O O1  . LIG_C C 3  .   ? -18.232 -7.556  -13.160 1.00 4.08  1   C 1 
HETATM 1575 O O2  . LIG_C C 3  .   ? -19.271 -6.944  -11.379 1.00 3.82  1   C 1 
HETATM 1576 C C19 . LIG_C C 3  .   ? -18.983 -5.649  -11.650 1.00 3.03  1   C 1 
HETATM 1577 C C20 . LIG_C C 3  .   ? -19.634 -4.785  -10.663 1.00 4.60  1   C 1 
HETATM 1578 C C21 . LIG_C C 3  .   ? -19.267 -3.357  -10.809 1.00 3.21  1   C 1 
HETATM 1579 O O3  . LIG_C C 3  .   ? -19.309 -3.004  -12.088 1.00 2.54  1   C 1 
HETATM 1580 P P1  . LIG_C C 3  .   ? -20.254 -1.869  -12.637 1.00 3.22  1   C 1 
HETATM 1581 O O4  . LIG_C C 3  .   ? -19.432 -0.926  -13.318 1.00 2.66  1   C 1 
HETATM 1582 O O5  . LIG_C C 3  .   ? -21.143 -1.400  -11.653 1.00 2.51  1   C 1 
HETATM 1583 O O6  . LIG_C C 3  .   ? -21.033 -2.715  -13.599 1.00 2.80  1   C 1 
HETATM 1584 C C22 . LIG_C C 3  .   ? -21.169 -2.525  -14.872 1.00 2.47  1   C 1 
HETATM 1585 C C23 . LIG_C C 3  .   ? -20.745 -3.691  -15.609 1.00 2.93  1   C 1 
HETATM 1586 N N1  . LIG_C C 3  .   ? -21.458 -3.931  -16.768 1.00 4.88  1   C 1 
HETATM 1587 C C24 . LIG_C C 3  .   ? -22.646 -4.625  -16.432 1.00 2.09  1   C 1 
HETATM 1588 C C25 . LIG_C C 3  .   ? -20.645 -4.731  -17.596 1.00 2.41  1   C 1 
HETATM 1589 C C26 . LIG_C C 3  .   ? -21.771 -2.730  -17.430 1.00 2.24  1   C 1 
HETATM 1590 O O7  . LIG_C C 3  .   ? -19.172 -5.160  -9.400  1.00 4.37  1   C 1 
HETATM 1591 C C27 . LIG_C C 3  .   ? -20.084 -5.440  -8.564  1.00 5.05  1   C 1 
HETATM 1592 O O8  . LIG_C C 3  .   ? -21.220 -5.156  -8.773  1.00 3.90  1   C 1 
HETATM 1593 C C28 . LIG_C C 3  .   ? -19.678 -6.125  -7.487  1.00 3.47  1   C 1 
HETATM 1594 C C29 . LIG_C C 3  .   ? -20.201 -7.072  -7.001  1.00 4.26  1   C 1 
HETATM 1595 C C30 . LIG_C C 3  .   ? -20.347 -7.985  -6.329  1.00 3.89  1   C 1 
HETATM 1596 C C31 . LIG_C C 3  .   ? -20.710 -8.924  -5.798  1.00 3.76  1   C 1 
HETATM 1597 C C32 . LIG_C C 3  .   ? -20.984 -9.824  -5.175  1.00 4.02  1   C 1 
HETATM 1598 C C33 . LIG_C C 3  .   ? -21.333 -10.732 -4.581  1.00 3.72  1   C 1 
HETATM 1599 C C34 . LIG_C C 3  .   ? -21.636 -11.624 -3.934  1.00 3.30  1   C 1 
HETATM 1600 C C35 . LIG_C C 3  .   ? -21.930 -12.497 -3.281  1.00 3.26  1   C 1 
HETATM 1601 C C36 . LIG_C C 3  .   ? -22.196 -13.363 -2.599  1.00 3.31  1   C 1 
HETATM 1602 C C37 . LIG_C C 3  .   ? -22.441 -14.230 -1.898  1.00 3.13  1   C 1 
HETATM 1603 C C38 . LIG_C C 3  .   ? -22.661 -15.084 -1.179  1.00 2.78  1   C 1 
HETATM 1604 C C39 . LIG_C C 3  .   ? -22.865 -15.963 -0.454  1.00 3.00  1   C 1 
HETATM 1605 C C40 . LIG_C C 3  .   ? -23.047 -16.826 0.263   1.00 3.25  1   C 1 
HETATM 1606 C C41 . LIG_C C 3  .   ? -23.208 -17.705 0.993   1.00 2.66  1   C 1 
HETATM 1607 C C42 . LIG_C C 3  .   ? -23.336 -18.510 1.713   1.00 2.59  1   C 1 
HETATM 1608 C C43 . LIG_C C 3  .   ? -23.463 -19.264 2.500   1.00 2.17  1   C 1 
HETATM 1609 C C44 . LIG_C C 3  .   ? -23.611 -19.925 3.441   1.00 2.44  1   C 1 
HETATM 1610 C C1  . LIG_D D 4  .   ? -22.417 -13.079 15.392  1.00 3.70  1   D 1 
HETATM 1611 C C2  . LIG_D D 4  .   ? -21.737 -13.438 14.659  1.00 3.99  1   D 1 
HETATM 1612 C C3  . LIG_D D 4  .   ? -20.948 -13.077 13.872  1.00 3.37  1   D 1 
HETATM 1613 C C4  . LIG_D D 4  .   ? -20.306 -12.309 13.401  1.00 4.40  1   D 1 
HETATM 1614 C C5  . LIG_D D 4  .   ? -19.690 -11.480 12.991  1.00 3.87  1   D 1 
HETATM 1615 C C6  . LIG_D D 4  .   ? -19.028 -10.611 12.666  1.00 3.53  1   D 1 
HETATM 1616 C C7  . LIG_D D 4  .   ? -18.304 -9.825  12.370  1.00 3.72  1   D 1 
HETATM 1617 C C8  . LIG_D D 4  .   ? -17.547 -9.039  12.098  1.00 3.95  1   D 1 
HETATM 1618 C C9  . LIG_D D 4  .   ? -16.760 -8.311  11.790  1.00 4.97  1   D 1 
HETATM 1619 C C10 . LIG_D D 4  .   ? -15.950 -7.552  11.441  1.00 5.67  1   D 1 
HETATM 1620 C C11 . LIG_D D 4  .   ? -15.158 -6.833  11.060  1.00 6.11  1   D 1 
HETATM 1621 C C12 . LIG_D D 4  .   ? -14.378 -6.051  10.696  1.00 6.82  1   D 1 
HETATM 1622 C C13 . LIG_D D 4  .   ? -13.586 -5.342  10.285  1.00 5.55  1   D 1 
HETATM 1623 C C14 . LIG_D D 4  .   ? -12.855 -4.506  9.964   1.00 5.99  1   D 1 
HETATM 1624 C C15 . LIG_D D 4  .   ? -12.035 -3.853  9.539   1.00 7.81  1   D 1 
HETATM 1625 C C16 . LIG_D D 4  .   ? -11.353 -2.908  9.305   1.00 8.51  1   D 1 
HETATM 1626 C C17 . LIG_D D 4  .   ? -10.445 -2.381  8.802   1.00 9.46  1   D 1 
HETATM 1627 C C18 . LIG_D D 4  .   ? -9.959  -1.144  8.885   1.00 11.13 1   D 1 
HETATM 1628 O O1  . LIG_D D 4  .   ? -9.061  -0.769  8.250   1.00 13.23 1   D 1 
HETATM 1629 O O2  . LIG_D D 4  .   ? -10.552 -0.437  9.752   1.00 12.63 1   D 1 
HETATM 1630 C C19 . LIG_D D 4  .   ? -10.191 0.846   9.867   1.00 9.97  1   D 1 
HETATM 1631 C C20 . LIG_D D 4  .   ? -11.343 1.746   9.634   1.00 15.84 1   D 1 
HETATM 1632 C C21 . LIG_D D 4  .   ? -10.927 3.151   9.824   1.00 12.39 1   D 1 
HETATM 1633 O O3  . LIG_D D 4  .   ? -10.200 3.466   8.725   1.00 15.24 1   D 1 
HETATM 1634 P P1  . LIG_D D 4  .   ? -9.752  4.910   8.420   1.00 25.74 1   D 1 
HETATM 1635 O O4  . LIG_D D 4  .   ? -9.414  4.948   7.015   1.00 17.85 1   D 1 
HETATM 1636 O O5  . LIG_D D 4  .   ? -10.667 5.860   8.941   1.00 15.00 1   D 1 
HETATM 1637 O O6  . LIG_D D 4  .   ? -8.455  5.009   9.235   1.00 16.71 1   D 1 
HETATM 1638 C C22 . LIG_D D 4  .   ? -7.302  4.554   8.779   1.00 17.82 1   D 1 
HETATM 1639 C C23 . LIG_D D 4  .   ? -6.232  5.461   9.094   1.00 21.76 1   D 1 
HETATM 1640 N N1  . LIG_D D 4  .   ? -5.529  5.195   10.292  1.00 20.62 1   D 1 
HETATM 1641 C C24 . LIG_D D 4  .   ? -4.227  4.817   9.956   1.00 16.72 1   D 1 
HETATM 1642 C C25 . LIG_D D 4  .   ? -6.137  4.174   11.039  1.00 17.17 1   D 1 
HETATM 1643 C C26 . LIG_D D 4  .   ? -5.502  6.393   11.029  1.00 17.30 1   D 1 
HETATM 1644 O O7  . LIG_D D 4  .   ? -12.343 1.429   10.553  1.00 13.61 1   D 1 
HETATM 1645 C C27 . LIG_D D 4  .   ? -13.450 1.012   10.030  1.00 14.18 1   D 1 
HETATM 1646 O O8  . LIG_D D 4  .   ? -13.665 1.132   8.861   1.00 13.24 1   D 1 
HETATM 1647 C C28 . LIG_D D 4  .   ? -14.283 0.409   10.862  1.00 7.69  1   D 1 
HETATM 1648 C C29 . LIG_D D 4  .   ? -15.153 -0.376  10.739  1.00 8.16  1   D 1 
HETATM 1649 C C30 . LIG_D D 4  .   ? -15.972 -1.109  11.142  1.00 6.95  1   D 1 
HETATM 1650 C C31 . LIG_D D 4  .   ? -16.773 -1.896  11.351  1.00 6.09  1   D 1 
HETATM 1651 C C32 . LIG_D D 4  .   ? -17.546 -2.662  11.732  1.00 6.31  1   D 1 
HETATM 1652 C C33 . LIG_D D 4  .   ? -18.308 -3.459  12.075  1.00 5.33  1   D 1 
HETATM 1653 C C34 . LIG_D D 4  .   ? -19.030 -4.278  12.484  1.00 4.82  1   D 1 
HETATM 1654 C C35 . LIG_D D 4  .   ? -19.697 -5.107  12.919  1.00 4.36  1   D 1 
HETATM 1655 C C36 . LIG_D D 4  .   ? -20.323 -5.952  13.406  1.00 4.51  1   D 1 
HETATM 1656 C C37 . LIG_D D 4  .   ? -20.897 -6.812  13.924  1.00 4.36  1   D 1 
HETATM 1657 C C38 . LIG_D D 4  .   ? -21.456 -7.670  14.460  1.00 3.58  1   D 1 
HETATM 1658 C C39 . LIG_D D 4  .   ? -22.003 -8.553  15.000  1.00 3.63  1   D 1 
HETATM 1659 C C40 . LIG_D D 4  .   ? -22.516 -9.447  15.521  1.00 3.85  1   D 1 
HETATM 1660 C C41 . LIG_D D 4  .   ? -23.018 -10.375 16.014  1.00 2.93  1   D 1 
HETATM 1661 C C42 . LIG_D D 4  .   ? -23.478 -11.281 16.468  1.00 2.81  1   D 1 
HETATM 1662 C C43 . LIG_D D 4  .   ? -23.964 -12.172 16.932  1.00 2.18  1   D 1 
HETATM 1663 C C44 . LIG_D D 4  .   ? -24.529 -13.106 17.435  1.00 2.58  1   D 1 
HETATM 1664 C C1  . LIG_E E 5  .   ? -4.885  -21.836 13.592  1.00 3.47  1   E 1 
HETATM 1665 C C2  . LIG_E E 5  .   ? -4.498  -21.277 14.426  1.00 3.77  1   E 1 
HETATM 1666 C C3  . LIG_E E 5  .   ? -3.625  -20.525 14.590  1.00 3.39  1   E 1 
HETATM 1667 C C4  . LIG_E E 5  .   ? -2.765  -19.961 14.186  1.00 4.07  1   E 1 
HETATM 1668 C C5  . LIG_E E 5  .   ? -1.932  -19.362 13.774  1.00 3.79  1   E 1 
HETATM 1669 C C6  . LIG_E E 5  .   ? -1.138  -18.775 13.229  1.00 3.34  1   E 1 
HETATM 1670 C C7  . LIG_E E 5  .   ? -0.399  -18.162 12.691  1.00 3.62  1   E 1 
HETATM 1671 C C8  . LIG_E E 5  .   ? 0.334   -17.508 12.149  1.00 3.95  1   E 1 
HETATM 1672 C C9  . LIG_E E 5  .   ? 1.036   -16.828 11.632  1.00 4.72  1   E 1 
HETATM 1673 C C10 . LIG_E E 5  .   ? 1.744   -16.080 11.110  1.00 5.58  1   E 1 
HETATM 1674 C C11 . LIG_E E 5  .   ? 2.429   -15.306 10.654  1.00 5.88  1   E 1 
HETATM 1675 C C12 . LIG_E E 5  .   ? 3.114   -14.515 10.160  1.00 7.12  1   E 1 
HETATM 1676 C C13 . LIG_E E 5  .   ? 3.818   -13.727 9.726   1.00 5.52  1   E 1 
HETATM 1677 C C14 . LIG_E E 5  .   ? 4.492   -12.969 9.177   1.00 6.05  1   E 1 
HETATM 1678 C C15 . LIG_E E 5  .   ? 5.252   -12.208 8.839   1.00 6.66  1   E 1 
HETATM 1679 C C16 . LIG_E E 5  .   ? 5.922   -11.462 8.188   1.00 8.61  1   E 1 
HETATM 1680 C C17 . LIG_E E 5  .   ? 6.770   -10.682 8.035   1.00 7.89  1   E 1 
HETATM 1681 C C18 . LIG_E E 5  .   ? 7.262   -9.973  7.017   1.00 9.38  1   E 1 
HETATM 1682 O O1  . LIG_E E 5  .   ? 7.133   -8.812  6.967   1.00 13.79 1   E 1 
HETATM 1683 O O2  . LIG_E E 5  .   ? 7.813   -10.670 6.116   1.00 11.11 1   E 1 
HETATM 1684 C C19 . LIG_E E 5  .   ? 8.188   -10.027 5.004   1.00 8.55  1   E 1 
HETATM 1685 C C20 . LIG_E E 5  .   ? 8.620   -10.998 3.977   1.00 11.46 1   E 1 
HETATM 1686 C C21 . LIG_E E 5  .   ? 9.183   -10.244 2.844   1.00 10.47 1   E 1 
HETATM 1687 O O3  . LIG_E E 5  .   ? 10.231  -10.932 2.344   1.00 12.66 1   E 1 
HETATM 1688 P P1  . LIG_E E 5  .   ? 11.681  -10.439 2.539   1.00 19.64 1   E 1 
HETATM 1689 O O4  . LIG_E E 5  .   ? 12.508  -11.598 2.554   1.00 15.08 1   E 1 
HETATM 1690 O O5  . LIG_E E 5  .   ? 11.807  -9.448  3.537   1.00 17.95 1   E 1 
HETATM 1691 O O6  . LIG_E E 5  .   ? 11.810  -9.719  1.136   1.00 16.17 1   E 1 
HETATM 1692 C C22 . LIG_E E 5  .   ? 12.919  -9.733  0.450   1.00 16.73 1   E 1 
HETATM 1693 C C23 . LIG_E E 5  .   ? 13.294  -8.411  0.031   1.00 21.46 1   E 1 
HETATM 1694 N N1  . LIG_E E 5  .   ? 14.698  -8.207  0.021   1.00 18.21 1   E 1 
HETATM 1695 C C24 . LIG_E E 5  .   ? 14.971  -6.992  -0.596  1.00 17.29 1   E 1 
HETATM 1696 C C25 . LIG_E E 5  .   ? 15.168  -8.169  1.361   1.00 19.74 1   E 1 
HETATM 1697 C C26 . LIG_E E 5  .   ? 15.339  -9.233  -0.704  1.00 17.87 1   E 1 
HETATM 1698 O O7  . LIG_E E 5  .   ? 7.516   -11.712 3.519   1.00 13.42 1   E 1 
HETATM 1699 C C27 . LIG_E E 5  .   ? 7.481   -12.969 3.779   1.00 12.66 1   E 1 
HETATM 1700 O O8  . LIG_E E 5  .   ? 8.423   -13.525 4.251   1.00 8.36  1   E 1 
HETATM 1701 C C28 . LIG_E E 5  .   ? 6.312   -13.550 3.540   1.00 8.32  1   E 1 
HETATM 1702 C C29 . LIG_E E 5  .   ? 5.679   -14.375 4.078   1.00 7.84  1   E 1 
HETATM 1703 C C30 . LIG_E E 5  .   ? 4.761   -15.037 4.298   1.00 6.87  1   E 1 
HETATM 1704 C C31 . LIG_E E 5  .   ? 3.961   -15.721 4.756   1.00 5.61  1   E 1 
HETATM 1705 C C32 . LIG_E E 5  .   ? 3.135   -16.388 5.164   1.00 5.67  1   E 1 
HETATM 1706 C C33 . LIG_E E 5  .   ? 2.357   -17.076 5.664   1.00 4.79  1   E 1 
HETATM 1707 C C34 . LIG_E E 5  .   ? 1.578   -17.739 6.193   1.00 4.15  1   E 1 
HETATM 1708 C C35 . LIG_E E 5  .   ? 0.833   -18.392 6.763   1.00 3.67  1   E 1 
HETATM 1709 C C36 . LIG_E E 5  .   ? 0.093   -19.040 7.359   1.00 3.57  1   E 1 
HETATM 1710 C C37 . LIG_E E 5  .   ? -0.640  -19.673 7.990   1.00 3.29  1   E 1 
HETATM 1711 C C38 . LIG_E E 5  .   ? -1.384  -20.281 8.628   1.00 2.80  1   E 1 
HETATM 1712 C C39 . LIG_E E 5  .   ? -2.151  -20.877 9.283   1.00 2.89  1   E 1 
HETATM 1713 C C40 . LIG_E E 5  .   ? -2.941  -21.443 9.917   1.00 3.03  1   E 1 
HETATM 1714 C C41 . LIG_E E 5  .   ? -3.758  -21.961 10.547  1.00 2.52  1   E 1 
HETATM 1715 C C42 . LIG_E E 5  .   ? -4.586  -22.425 11.136  1.00 2.46  1   E 1 
HETATM 1716 C C43 . LIG_E E 5  .   ? -5.453  -22.823 11.677  1.00 2.03  1   E 1 
HETATM 1717 C C44 . LIG_E E 5  .   ? -6.479  -23.273 12.157  1.00 2.34  1   E 1 
HETATM 1718 C C1  . LIG_F F 6  .   ? -15.164 -15.681 23.628  1.00 3.57  1   F 1 
HETATM 1719 C C2  . LIG_F F 6  .   ? -14.287 -15.960 24.345  1.00 4.22  1   F 1 
HETATM 1720 C C3  . LIG_F F 6  .   ? -13.279 -15.448 24.755  1.00 3.80  1   F 1 
HETATM 1721 C C4  . LIG_F F 6  .   ? -12.609 -14.524 24.675  1.00 4.64  1   F 1 
HETATM 1722 C C5  . LIG_F F 6  .   ? -12.026 -13.573 24.525  1.00 4.12  1   F 1 
HETATM 1723 C C6  . LIG_F F 6  .   ? -11.476 -12.600 24.280  1.00 3.87  1   F 1 
HETATM 1724 C C7  . LIG_F F 6  .   ? -10.922 -11.682 24.006  1.00 4.04  1   F 1 
HETATM 1725 C C8  . LIG_F F 6  .   ? -10.351 -10.757 23.712  1.00 4.28  1   F 1 
HETATM 1726 C C9  . LIG_F F 6  .   ? -9.746  -9.877  23.375  1.00 5.17  1   F 1 
HETATM 1727 C C10 . LIG_F F 6  .   ? -9.107  -8.971  23.029  1.00 5.84  1   F 1 
HETATM 1728 C C11 . LIG_F F 6  .   ? -8.461  -8.116  22.675  1.00 5.91  1   F 1 
HETATM 1729 C C12 . LIG_F F 6  .   ? -7.798  -7.238  22.330  1.00 6.58  1   F 1 
HETATM 1730 C C13 . LIG_F F 6  .   ? -7.080  -6.420  22.041  1.00 5.06  1   F 1 
HETATM 1731 C C14 . LIG_F F 6  .   ? -6.426  -5.518  21.766  1.00 5.25  1   F 1 
HETATM 1732 C C15 . LIG_F F 6  .   ? -5.643  -4.750  21.566  1.00 6.17  1   F 1 
HETATM 1733 C C16 . LIG_F F 6  .   ? -5.045  -3.753  21.360  1.00 6.94  1   F 1 
HETATM 1734 C C17 . LIG_F F 6  .   ? -4.110  -3.094  21.289  1.00 6.70  1   F 1 
HETATM 1735 C C18 . LIG_F F 6  .   ? -3.852  -1.799  21.214  1.00 7.30  1   F 1 
HETATM 1736 O O1  . LIG_F F 6  .   ? -3.024  -1.294  21.864  1.00 9.59  1   F 1 
HETATM 1737 O O2  . LIG_F F 6  .   ? -4.612  -1.166  20.417  1.00 9.69  1   F 1 
HETATM 1738 C C19 . LIG_F F 6  .   ? -4.553  0.176   20.425  1.00 7.18  1   F 1 
HETATM 1739 C C20 . LIG_F F 6  .   ? -5.584  0.743   19.523  1.00 8.72  1   F 1 
HETATM 1740 C C21 . LIG_F F 6  .   ? -5.400  2.191   19.458  1.00 7.54  1   F 1 
HETATM 1741 O O3  . LIG_F F 6  .   ? -4.277  2.353   18.723  1.00 7.86  1   F 1 
HETATM 1742 P P1  . LIG_F F 6  .   ? -3.240  3.474   18.957  1.00 11.57 1   F 1 
HETATM 1743 O O4  . LIG_F F 6  .   ? -2.116  3.209   18.074  1.00 10.59 1   F 1 
HETATM 1744 O O5  . LIG_F F 6  .   ? -3.010  3.722   20.306  1.00 7.61  1   F 1 
HETATM 1745 O O6  . LIG_F F 6  .   ? -3.991  4.630   18.253  1.00 9.58  1   F 1 
HETATM 1746 C C22 . LIG_F F 6  .   ? -4.388  5.594   18.813  1.00 8.45  1   F 1 
HETATM 1747 C C23 . LIG_F F 6  .   ? -4.031  6.881   18.388  1.00 12.32 1   F 1 
HETATM 1748 N N1  . LIG_F F 6  .   ? -4.037  7.775   19.478  1.00 12.99 1   F 1 
HETATM 1749 C C24 . LIG_F F 6  .   ? -3.823  9.054   19.008  1.00 9.88  1   F 1 
HETATM 1750 C C25 . LIG_F F 6  .   ? -5.270  7.688   20.160  1.00 10.68 1   F 1 
HETATM 1751 C C26 . LIG_F F 6  .   ? -2.975  7.402   20.358  1.00 10.62 1   F 1 
HETATM 1752 O O7  . LIG_F F 6  .   ? -6.823  0.425   20.021  1.00 9.00  1   F 1 
HETATM 1753 C C27 . LIG_F F 6  .   ? -7.481  -0.422  19.320  1.00 8.78  1   F 1 
HETATM 1754 O O8  . LIG_F F 6  .   ? -7.100  -0.747  18.230  1.00 8.63  1   F 1 
HETATM 1755 C C28 . LIG_F F 6  .   ? -8.545  -0.936  19.893  1.00 5.81  1   F 1 
HETATM 1756 C C29 . LIG_F F 6  .   ? -9.038  -2.007  19.733  1.00 6.26  1   F 1 
HETATM 1757 C C30 . LIG_F F 6  .   ? -9.715  -2.892  19.907  1.00 6.25  1   F 1 
HETATM 1758 C C31 . LIG_F F 6  .   ? -10.253 -3.897  19.937  1.00 5.67  1   F 1 
HETATM 1759 C C32 . LIG_F F 6  .   ? -10.838 -4.845  20.070  1.00 5.67  1   F 1 
HETATM 1760 C C33 . LIG_F F 6  .   ? -11.387 -5.841  20.165  1.00 5.03  1   F 1 
HETATM 1761 C C34 . LIG_F F 6  .   ? -11.952 -6.820  20.292  1.00 4.35  1   F 1 
HETATM 1762 C C35 . LIG_F F 6  .   ? -12.505 -7.794  20.440  1.00 4.15  1   F 1 
HETATM 1763 C C36 . LIG_F F 6  .   ? -13.070 -8.768  20.611  1.00 4.13  1   F 1 
HETATM 1764 C C37 . LIG_F F 6  .   ? -13.622 -9.742  20.800  1.00 3.95  1   F 1 
HETATM 1765 C C38 . LIG_F F 6  .   ? -14.177 -10.717 21.005  1.00 3.32  1   F 1 
HETATM 1766 C C39 . LIG_F F 6  .   ? -14.736 -11.705 21.225  1.00 3.55  1   F 1 
HETATM 1767 C C40 . LIG_F F 6  .   ? -15.303 -12.670 21.452  1.00 3.66  1   F 1 
HETATM 1768 C C41 . LIG_F F 6  .   ? -15.896 -13.627 21.670  1.00 2.96  1   F 1 
HETATM 1769 C C42 . LIG_F F 6  .   ? -16.507 -14.512 21.825  1.00 2.79  1   F 1 
HETATM 1770 C C43 . LIG_F F 6  .   ? -17.212 -15.343 21.870  1.00 2.29  1   F 1 
HETATM 1771 C C44 . LIG_F F 6  .   ? -18.063 -16.147 21.780  1.00 2.71  1   F 1 
HETATM 1772 C C1  . LIG_G G 7  .   ? -24.403 -6.689  17.880  1.00 4.19  1   G 1 
HETATM 1773 C C2  . LIG_G G 7  .   ? -25.391 -6.451  17.457  1.00 4.85  1   G 1 
HETATM 1774 C C3  . LIG_G G 7  .   ? -26.084 -5.595  17.067  1.00 4.36  1   G 1 
HETATM 1775 C C4  . LIG_G G 7  .   ? -26.425 -4.538  16.873  1.00 5.41  1   G 1 
HETATM 1776 C C5  . LIG_G G 7  .   ? -26.700 -3.468  16.609  1.00 4.49  1   G 1 
HETATM 1777 C C6  . LIG_G G 7  .   ? -26.795 -2.363  16.306  1.00 3.86  1   G 1 
HETATM 1778 C C7  . LIG_G G 7  .   ? -26.737 -1.303  15.962  1.00 3.88  1   G 1 
HETATM 1779 C C8  . LIG_G G 7  .   ? -26.553 -0.268  15.577  1.00 3.89  1   G 1 
HETATM 1780 C C9  . LIG_G G 7  .   ? -26.262 0.717   15.140  1.00 4.45  1   G 1 
HETATM 1781 C C10 . LIG_G G 7  .   ? -25.895 1.704   14.681  1.00 4.96  1   G 1 
HETATM 1782 C C11 . LIG_G G 7  .   ? -25.476 2.651   14.235  1.00 4.80  1   G 1 
HETATM 1783 C C12 . LIG_G G 7  .   ? -24.985 3.583   13.767  1.00 5.39  1   G 1 
HETATM 1784 C C13 . LIG_G G 7  .   ? -24.465 4.496   13.331  1.00 4.36  1   G 1 
HETATM 1785 C C14 . LIG_G G 7  .   ? -23.917 5.380   12.838  1.00 4.67  1   G 1 
HETATM 1786 C C15 . LIG_G G 7  .   ? -23.365 6.276   12.441  1.00 5.10  1   G 1 
HETATM 1787 C C16 . LIG_G G 7  .   ? -22.791 7.120   11.878  1.00 5.11  1   G 1 
HETATM 1788 C C17 . LIG_G G 7  .   ? -22.168 8.056   11.699  1.00 4.70  1   G 1 
HETATM 1789 C C18 . LIG_G G 7  .   ? -21.580 8.721   10.735  1.00 4.74  1   G 1 
HETATM 1790 O O1  . LIG_G G 7  .   ? -21.817 8.479   9.606   1.00 7.04  1   G 1 
HETATM 1791 O O2  . LIG_G G 7  .   ? -20.744 9.611   11.106  1.00 5.91  1   G 1 
HETATM 1792 C C19 . LIG_G G 7  .   ? -19.972 10.143  10.135  1.00 4.37  1   G 1 
HETATM 1793 C C20 . LIG_G G 7  .   ? -18.552 9.905   10.424  1.00 7.05  1   G 1 
HETATM 1794 C C21 . LIG_G G 7  .   ? -17.700 10.889  9.719   1.00 6.41  1   G 1 
HETATM 1795 O O3  . LIG_G G 7  .   ? -17.935 12.109  10.252  1.00 5.32  1   G 1 
HETATM 1796 P P1  . LIG_G G 7  .   ? -16.800 13.144  10.514  1.00 11.01 1   G 1 
HETATM 1797 O O4  . LIG_G G 7  .   ? -15.878 13.151  9.415   1.00 9.33  1   G 1 
HETATM 1798 O O5  . LIG_G G 7  .   ? -17.409 14.390  10.882  1.00 6.70  1   G 1 
HETATM 1799 O O6  . LIG_G G 7  .   ? -16.138 12.540  11.758  1.00 7.97  1   G 1 
HETATM 1800 C C22 . LIG_G G 7  .   ? -15.023 11.905  11.754  1.00 10.50 1   G 1 
HETATM 1801 C C23 . LIG_G G 7  .   ? -14.109 12.476  12.652  1.00 13.52 1   G 1 
HETATM 1802 N N1  . LIG_G G 7  .   ? -13.086 11.621  13.042  1.00 14.71 1   G 1 
HETATM 1803 C C24 . LIG_G G 7  .   ? -11.863 12.132  12.843  1.00 12.29 1   G 1 
HETATM 1804 C C25 . LIG_G G 7  .   ? -13.195 11.191  13.368  1.00 12.92 1   G 1 
HETATM 1805 C C26 . LIG_G G 7  .   ? -13.402 10.779  13.815  1.00 12.44 1   G 1 
HETATM 1806 O O7  . LIG_G G 7  .   ? -18.213 8.632   9.964   1.00 8.07  1   G 1 
HETATM 1807 C C27 . LIG_G G 7  .   ? -17.640 7.880   10.820  1.00 7.74  1   G 1 
HETATM 1808 O O8  . LIG_G G 7  .   ? -17.235 8.312   11.856  1.00 8.23  1   G 1 
HETATM 1809 C C28 . LIG_G G 7  .   ? -17.611 6.574   10.501  1.00 5.71  1   G 1 
HETATM 1810 C C29 . LIG_G G 7  .   ? -17.922 5.665   11.210  1.00 6.94  1   G 1 
HETATM 1811 C C30 . LIG_G G 7  .   ? -18.246 4.659   11.579  1.00 5.72  1   G 1 
HETATM 1812 C C31 . LIG_G G 7  .   ? -18.654 3.764   12.154  1.00 5.15  1   G 1 
HETATM 1813 C C32 . LIG_G G 7  .   ? -19.053 2.851   12.664  1.00 5.79  1   G 1 
HETATM 1814 C C33 . LIG_G G 7  .   ? -19.473 1.951   13.233  1.00 5.10  1   G 1 
HETATM 1815 C C34 . LIG_G G 7  .   ? -19.843 1.038   13.798  1.00 4.74  1   G 1 
HETATM 1816 C C35 . LIG_G G 7  .   ? -20.167 0.122   14.381  1.00 4.69  1   G 1 
HETATM 1817 C C36 . LIG_G G 7  .   ? -20.450 -0.807  14.961  1.00 5.00  1   G 1 
HETATM 1818 C C37 . LIG_G G 7  .   ? -20.686 -1.753  15.564  1.00 4.86  1   G 1 
HETATM 1819 C C38 . LIG_G G 7  .   ? -20.894 -2.691  16.164  1.00 3.95  1   G 1 
HETATM 1820 C C39 . LIG_G G 7  .   ? -21.122 -3.648  16.767  1.00 3.99  1   G 1 
HETATM 1821 C C40 . LIG_G G 7  .   ? -21.382 -4.587  17.338  1.00 4.39  1   G 1 
HETATM 1822 C C41 . LIG_G G 7  .   ? -21.703 -5.527  17.892  1.00 3.18  1   G 1 
HETATM 1823 C C42 . LIG_G G 7  .   ? -22.025 -6.427  18.424  1.00 2.96  1   G 1 
HETATM 1824 C C43 . LIG_G G 7  .   ? -22.307 -7.349  18.958  1.00 2.38  1   G 1 
HETATM 1825 C C44 . LIG_G G 7  .   ? -22.502 -8.342  19.577  1.00 2.64  1   G 1 
HETATM 1826 C C1  . LIG_H H 8  .   ? -9.869  -18.813 21.301  1.00 3.41  1   H 1 
HETATM 1827 C C2  . LIG_H H 8  .   ? -9.836  -18.515 22.360  1.00 3.98  1   H 1 
HETATM 1828 C C3  . LIG_H H 8  .   ? -9.307  -17.702 23.000  1.00 3.63  1   H 1 
HETATM 1829 C C4  . LIG_H H 8  .   ? -8.697  -16.782 23.012  1.00 4.50  1   H 1 
HETATM 1830 C C5  . LIG_H H 8  .   ? -8.107  -15.859 22.990  1.00 4.07  1   H 1 
HETATM 1831 C C6  . LIG_H H 8  .   ? -7.520  -14.933 22.791  1.00 3.71  1   H 1 
HETATM 1832 C C7  . LIG_H H 8  .   ? -6.975  -14.033 22.554  1.00 3.98  1   H 1 
HETATM 1833 C C8  . LIG_H H 8  .   ? -6.407  -13.135 22.266  1.00 4.18  1   H 1 
HETATM 1834 C C9  . LIG_H H 8  .   ? -5.861  -12.241 21.946  1.00 4.95  1   H 1 
HETATM 1835 C C10 . LIG_H H 8  .   ? -5.284  -11.323 21.619  1.00 5.40  1   H 1 
HETATM 1836 C C11 . LIG_H H 8  .   ? -4.698  -10.426 21.327  1.00 5.75  1   H 1 
HETATM 1837 C C12 . LIG_H H 8  .   ? -4.043  -9.539  21.075  1.00 6.35  1   H 1 
HETATM 1838 C C13 . LIG_H H 8  .   ? -3.388  -8.665  20.820  1.00 5.07  1   H 1 
HETATM 1839 C C14 . LIG_H H 8  .   ? -2.619  -7.849  20.651  1.00 5.05  1   H 1 
HETATM 1840 C C15 . LIG_H H 8  .   ? -1.935  -6.996  20.435  1.00 5.66  1   H 1 
HETATM 1841 C C16 . LIG_H H 8  .   ? -1.025  -6.264  20.396  1.00 6.33  1   H 1 
HETATM 1842 C C17 . LIG_H H 8  .   ? -0.369  -5.379  20.093  1.00 5.42  1   H 1 
HETATM 1843 C C18 . LIG_H H 8  .   ? 0.894   -5.025  20.360  1.00 5.50  1   H 1 
HETATM 1844 O O1  . LIG_H H 8  .   ? 1.600   -4.555  19.556  1.00 8.52  1   H 1 
HETATM 1845 O O2  . LIG_H H 8  .   ? 1.234   -5.288  21.542  1.00 6.28  1   H 1 
HETATM 1846 C C19 . LIG_H H 8  .   ? 2.506   -5.043  21.910  1.00 3.67  1   H 1 
HETATM 1847 C C20 . LIG_H H 8  .   ? 2.916   -5.980  22.983  1.00 4.32  1   H 1 
HETATM 1848 C C21 . LIG_H H 8  .   ? 4.221   -5.592  23.534  1.00 3.08  1   H 1 
HETATM 1849 O O3  . LIG_H H 8  .   ? 4.056   -4.393  24.118  1.00 3.03  1   H 1 
HETATM 1850 P P1  . LIG_H H 8  .   ? 5.253   -3.476  24.435  1.00 4.08  1   H 1 
HETATM 1851 O O4  . LIG_H H 8  .   ? 4.773   -2.138  24.472  1.00 3.31  1   H 1 
HETATM 1852 O O5  . LIG_H H 8  .   ? 6.385   -3.783  23.619  1.00 3.64  1   H 1 
HETATM 1853 O O6  . LIG_H H 8  .   ? 5.547   -3.990  25.841  1.00 3.54  1   H 1 
HETATM 1854 C C22 . LIG_H H 8  .   ? 5.171   -3.416  26.920  1.00 3.07  1   H 1 
HETATM 1855 C C23 . LIG_H H 8  .   ? 6.219   -3.352  27.906  1.00 3.42  1   H 1 
HETATM 1856 N N1  . LIG_H H 8  .   ? 6.988   -4.515  28.120  1.00 5.40  1   H 1 
HETATM 1857 C C24 . LIG_H H 8  .   ? 7.961   -4.647  27.092  1.00 2.71  1   H 1 
HETATM 1858 C C25 . LIG_H H 8  .   ? 7.655   -4.385  29.337  1.00 2.90  1   H 1 
HETATM 1859 C C26 . LIG_H H 8  .   ? 6.148   -5.642  28.165  1.00 2.83  1   H 1 
HETATM 1860 O O7  . LIG_H H 8  .   ? 3.058   -7.229  22.413  1.00 4.73  1   H 1 
HETATM 1861 C C27 . LIG_H H 8  .   ? 2.351   -8.143  22.922  1.00 4.63  1   H 1 
HETATM 1862 O O8  . LIG_H H 8  .   ? 1.681   -7.930  23.883  1.00 4.28  1   H 1 
HETATM 1863 C C28 . LIG_H H 8  .   ? 2.338   -9.283  22.250  1.00 3.55  1   H 1 
HETATM 1864 C C29 . LIG_H H 8  .   ? 1.505   -9.603  21.452  1.00 4.58  1   H 1 
HETATM 1865 C C30 . LIG_H H 8  .   ? 0.937   -10.276 20.772  1.00 4.71  1   H 1 
HETATM 1866 C C31 . LIG_H H 8  .   ? 0.218   -10.774 20.066  1.00 4.30  1   H 1 
HETATM 1867 C C32 . LIG_H H 8  .   ? -0.465  -11.412 19.493  1.00 5.49  1   H 1 
HETATM 1868 C C33 . LIG_H H 8  .   ? -1.225  -12.040 18.989  1.00 4.69  1   H 1 
HETATM 1869 C C34 . LIG_H H 8  .   ? -2.014  -12.743 18.639  1.00 4.20  1   H 1 
HETATM 1870 C C35 . LIG_H H 8  .   ? -2.816  -13.460 18.397  1.00 4.11  1   H 1 
HETATM 1871 C C36 . LIG_H H 8  .   ? -3.632  -14.214 18.268  1.00 3.86  1   H 1 
HETATM 1872 C C37 . LIG_H H 8  .   ? -4.450  -14.978 18.234  1.00 3.71  1   H 1 
HETATM 1873 C C38 . LIG_H H 8  .   ? -5.262  -15.766 18.271  1.00 3.09  1   H 1 
HETATM 1874 C C39 . LIG_H H 8  .   ? -6.083  -16.548 18.376  1.00 3.28  1   H 1 
HETATM 1875 C C40 . LIG_H H 8  .   ? -6.915  -17.301 18.534  1.00 3.43  1   H 1 
HETATM 1876 C C41 . LIG_H H 8  .   ? -7.765  -18.038 18.744  1.00 2.73  1   H 1 
HETATM 1877 C C42 . LIG_H H 8  .   ? -8.593  -18.729 18.946  1.00 2.44  1   H 1 
HETATM 1878 C C43 . LIG_H H 8  .   ? -9.436  -19.410 19.096  1.00 2.18  1   H 1 
HETATM 1879 C C44 . LIG_H H 8  .   ? -10.392 -20.185 19.079  1.00 2.26  1   H 1 
HETATM 1880 C C1  . LIG_I I 9  .   ? -14.657 -18.118 18.975  1.00 3.66  1   I 1 
HETATM 1881 C C2  . LIG_I I 9  .   ? -14.781 -17.969 17.971  1.00 3.62  1   I 1 
HETATM 1882 C C3  . LIG_I I 9  .   ? -14.490 -17.275 17.108  1.00 3.31  1   I 1 
HETATM 1883 C C4  . LIG_I I 9  .   ? -13.989 -16.400 16.656  1.00 4.27  1   I 1 
HETATM 1884 C C5  . LIG_I I 9  .   ? -13.461 -15.516 16.263  1.00 3.88  1   I 1 
HETATM 1885 C C6  . LIG_I I 9  .   ? -12.920 -14.593 15.904  1.00 3.36  1   I 1 
HETATM 1886 C C7  . LIG_I I 9  .   ? -12.394 -13.687 15.523  1.00 3.75  1   I 1 
HETATM 1887 C C8  . LIG_I I 9  .   ? -11.870 -12.770 15.133  1.00 3.93  1   I 1 
HETATM 1888 C C9  . LIG_I I 9  .   ? -11.372 -11.855 14.723  1.00 4.55  1   I 1 
HETATM 1889 C C10 . LIG_I I 9  .   ? -10.858 -10.904 14.315  1.00 5.51  1   I 1 
HETATM 1890 C C11 . LIG_I I 9  .   ? -10.387 -9.966  13.908  1.00 6.58  1   I 1 
HETATM 1891 C C12 . LIG_I I 9  .   ? -9.876  -9.013  13.515  1.00 7.57  1   I 1 
HETATM 1892 C C13 . LIG_I I 9  .   ? -9.436  -8.042  13.103  1.00 6.15  1   I 1 
HETATM 1893 C C14 . LIG_I I 9  .   ? -8.941  -7.067  12.749  1.00 6.70  1   I 1 
HETATM 1894 C C15 . LIG_I I 9  .   ? -8.593  -6.081  12.334  1.00 8.00  1   I 1 
HETATM 1895 C C16 . LIG_I I 9  .   ? -8.000  -5.116  12.021  1.00 8.66  1   I 1 
HETATM 1896 C C17 . LIG_I I 9  .   ? -7.774  -4.080  11.597  1.00 9.21  1   I 1 
HETATM 1897 C C18 . LIG_I I 9  .   ? -6.707  -3.293  11.473  1.00 11.64 1   I 1 
HETATM 1898 O O1  . LIG_I I 9  .   ? -5.984  -3.365  10.562  1.00 13.23 1   I 1 
HETATM 1899 O O2  . LIG_I I 9  .   ? -6.536  -2.524  12.454  1.00 12.13 1   I 1 
HETATM 1900 C C19 . LIG_I I 9  .   ? -5.356  -1.860  12.520  1.00 8.71  1   I 1 
HETATM 1901 C C20 . LIG_I I 9  .   ? -5.041  -1.576  13.925  1.00 12.80 1   I 1 
HETATM 1902 C C21 . LIG_I I 9  .   ? -3.891  -0.674  14.084  1.00 9.62  1   I 1 
HETATM 1903 O O3  . LIG_I I 9  .   ? -3.675  -0.028  12.952  1.00 13.21 1   I 1 
HETATM 1904 P P1  . LIG_I I 9  .   ? -3.550  1.508   12.927  1.00 20.38 1   I 1 
HETATM 1905 O O4  . LIG_I I 9  .   ? -3.519  1.864   11.514  1.00 14.95 1   I 1 
HETATM 1906 O O5  . LIG_I I 9  .   ? -4.455  2.114   13.802  1.00 14.66 1   I 1 
HETATM 1907 O O6  . LIG_I I 9  .   ? -2.066  1.666   13.450  1.00 13.96 1   I 1 
HETATM 1908 C C22 . LIG_I I 9  .   ? -1.621  2.768   14.010  1.00 13.71 1   I 1 
HETATM 1909 C C23 . LIG_I I 9  .   ? -1.711  3.917   13.134  1.00 18.88 1   I 1 
HETATM 1910 N N1  . LIG_I I 9  .   ? -1.788  5.148   13.833  1.00 19.07 1   I 1 
HETATM 1911 C C24 . LIG_I I 9  .   ? -0.568  5.418   14.492  1.00 17.24 1   I 1 
HETATM 1912 C C25 . LIG_I I 9  .   ? -2.840  5.084   14.786  1.00 16.53 1   I 1 
HETATM 1913 C C26 . LIG_I I 9  .   ? -2.047  6.148   12.894  1.00 17.58 1   I 1 
HETATM 1914 O O7  . LIG_I I 9  .   ? -4.699  -2.792  14.506  1.00 13.32 1   I 1 
HETATM 1915 C C27 . LIG_I I 9  .   ? -5.347  -3.061  15.580  1.00 14.23 1   I 1 
HETATM 1916 O O8  . LIG_I I 9  .   ? -5.929  -2.210  16.183  1.00 11.40 1   I 1 
HETATM 1917 C C28 . LIG_I I 9  .   ? -5.360  -4.333  15.931  1.00 9.48  1   I 1 
HETATM 1918 C C29 . LIG_I I 9  .   ? -6.147  -5.009  16.477  1.00 9.36  1   I 1 
HETATM 1919 C C30 . LIG_I I 9  .   ? -6.593  -5.989  16.892  1.00 8.29  1   I 1 
HETATM 1920 C C31 . LIG_I I 9  .   ? -7.177  -6.872  17.311  1.00 6.87  1   I 1 
HETATM 1921 C C32 . LIG_I I 9  .   ? -7.659  -7.821  17.719  1.00 7.43  1   I 1 
HETATM 1922 C C33 . LIG_I I 9  .   ? -8.180  -8.761  18.145  1.00 5.98  1   I 1 
HETATM 1923 C C34 . LIG_I I 9  .   ? -8.678  -9.732  18.547  1.00 5.22  1   I 1 
HETATM 1924 C C35 . LIG_I I 9  .   ? -9.195  -10.693 18.924  1.00 4.33  1   I 1 
HETATM 1925 C C36 . LIG_I I 9  .   ? -9.732  -11.658 19.277  1.00 4.62  1   I 1 
HETATM 1926 C C37 . LIG_I I 9  .   ? -10.297 -12.622 19.592  1.00 4.38  1   I 1 
HETATM 1927 C C38 . LIG_I I 9  .   ? -10.895 -13.577 19.884  1.00 3.37  1   I 1 
HETATM 1928 C C39 . LIG_I I 9  .   ? -11.529 -14.534 20.145  1.00 3.40  1   I 1 
HETATM 1929 C C40 . LIG_I I 9  .   ? -12.177 -15.470 20.364  1.00 3.76  1   I 1 
HETATM 1930 C C41 . LIG_I I 9  .   ? -12.852 -16.403 20.551  1.00 2.71  1   I 1 
HETATM 1931 C C42 . LIG_I I 9  .   ? -13.500 -17.297 20.714  1.00 2.71  1   I 1 
HETATM 1932 C C43 . LIG_I I 9  .   ? -14.162 -18.199 20.899  1.00 2.28  1   I 1 
HETATM 1933 C C44 . LIG_I I 9  .   ? -14.839 -19.186 21.205  1.00 2.63  1   I 1 
HETATM 1934 C C1  . LIG_J J 10 .   ? -7.668  -20.183 5.905   1.00 4.29  1   J 1 
HETATM 1935 C C2  . LIG_J J 10 .   ? -7.222  -21.260 6.088   1.00 3.57  1   J 1 
HETATM 1936 C C3  . LIG_J J 10 .   ? -6.204  -21.738 5.796   1.00 3.06  1   J 1 
HETATM 1937 C C4  . LIG_J J 10 .   ? -5.232  -21.503 5.253   1.00 3.86  1   J 1 
HETATM 1938 C C5  . LIG_J J 10 .   ? -4.338  -21.110 4.710   1.00 3.61  1   J 1 
HETATM 1939 C C6  . LIG_J J 10 .   ? -3.538  -20.532 4.161   1.00 3.56  1   J 1 
HETATM 1940 C C7  . LIG_J J 10 .   ? -2.845  -19.851 3.676   1.00 3.90  1   J 1 
HETATM 1941 C C8  . LIG_J J 10 .   ? -2.201  -19.065 3.233   1.00 4.62  1   J 1 
HETATM 1942 C C9  . LIG_J J 10 .   ? -1.608  -18.245 2.818   1.00 5.37  1   J 1 
HETATM 1943 C C10 . LIG_J J 10 .   ? -0.987  -17.363 2.439   1.00 6.15  1   J 1 
HETATM 1944 C C11 . LIG_J J 10 .   ? -0.371  -16.501 2.099   1.00 7.31  1   J 1 
HETATM 1945 C C12 . LIG_J J 10 .   ? 0.300   -15.617 1.838   1.00 8.09  1   J 1 
HETATM 1946 C C13 . LIG_J J 10 .   ? 0.996   -14.770 1.567   1.00 6.67  1   J 1 
HETATM 1947 C C14 . LIG_J J 10 .   ? 1.693   -13.879 1.418   1.00 7.39  1   J 1 
HETATM 1948 C C15 . LIG_J J 10 .   ? 2.376   -13.036 1.176   1.00 9.15  1   J 1 
HETATM 1949 C C16 . LIG_J J 10 .   ? 3.101   -12.117 1.178   1.00 10.52 1   J 1 
HETATM 1950 C C17 . LIG_J J 10 .   ? 3.701   -11.288 0.770   1.00 11.76 1   J 1 
HETATM 1951 C C18 . LIG_J J 10 .   ? 4.449   -10.271 1.151   1.00 14.90 1   J 1 
HETATM 1952 O O1  . LIG_J J 10 .   ? 5.290   -10.369 1.966   1.00 15.81 1   J 1 
HETATM 1953 O O2  . LIG_J J 10 .   ? 4.126   -9.201  0.607   1.00 15.51 1   J 1 
HETATM 1954 C C19 . LIG_J J 10 .   ? 4.775   -8.111  1.027   1.00 13.56 1   J 1 
HETATM 1955 C C20 . LIG_J J 10 .   ? 3.990   -6.926  0.662   1.00 19.71 1   J 1 
HETATM 1956 C C21 . LIG_J J 10 .   ? 4.822   -5.712  0.736   1.00 16.94 1   J 1 
HETATM 1957 O O3  . LIG_J J 10 .   ? 5.302   -5.549  -0.501  1.00 20.82 1   J 1 
HETATM 1958 P P1  . LIG_J J 10 .   ? 5.439   -4.181  -1.143  1.00 32.74 1   J 1 
HETATM 1959 O O4  . LIG_J J 10 .   ? 6.799   -4.130  -1.630  1.00 22.57 1   J 1 
HETATM 1960 O O5  . LIG_J J 10 .   ? 4.937   -3.130  -0.350  1.00 24.70 1   J 1 
HETATM 1961 O O6  . LIG_J J 10 .   ? 4.512   -4.330  -2.366  1.00 22.63 1   J 1 
HETATM 1962 C C22 . LIG_J J 10 .   ? 4.383   -3.405  -3.294  1.00 26.73 1   J 1 
HETATM 1963 C C23 . LIG_J J 10 .   ? 4.897   -3.921  -4.548  1.00 30.54 1   J 1 
HETATM 1964 N N1  . LIG_J J 10 .   ? 5.943   -3.148  -5.110  1.00 24.31 1   J 1 
HETATM 1965 C C24 . LIG_J J 10 .   ? 6.413   -3.817  -6.259  1.00 23.96 1   J 1 
HETATM 1966 C C25 . LIG_J J 10 .   ? 5.486   -1.883  -5.446  1.00 25.68 1   J 1 
HETATM 1967 C C26 . LIG_J J 10 .   ? 7.012   -3.055  -4.189  1.00 26.64 1   J 1 
HETATM 1968 O O7  . LIG_J J 10 .   ? 2.961   -6.761  1.552   1.00 20.89 1   J 1 
HETATM 1969 C C27 . LIG_J J 10 .   ? 1.828   -6.667  1.026   1.00 22.44 1   J 1 
HETATM 1970 O O8  . LIG_J J 10 .   ? 1.664   -6.710  -0.157  1.00 20.20 1   J 1 
HETATM 1971 C C28 . LIG_J J 10 .   ? 0.860   -6.584  1.912   1.00 18.01 1   J 1 
HETATM 1972 C C29 . LIG_J J 10 .   ? -0.139  -7.192  1.887   1.00 18.63 1   J 1 
HETATM 1973 C C30 . LIG_J J 10 .   ? -1.062  -7.664  2.229   1.00 15.77 1   J 1 
HETATM 1974 C C31 . LIG_J J 10 .   ? -1.938  -8.312  2.425   1.00 14.22 1   J 1 
HETATM 1975 C C32 . LIG_J J 10 .   ? -2.729  -8.985  2.714   1.00 13.06 1   J 1 
HETATM 1976 C C33 . LIG_J J 10 .   ? -3.450  -9.762  3.011   1.00 10.85 1   J 1 
HETATM 1977 C C34 . LIG_J J 10 .   ? -4.090  -10.592 3.335   1.00 9.05  1   J 1 
HETATM 1978 C C35 . LIG_J J 10 .   ? -4.669  -11.478 3.647   1.00 7.51  1   J 1 
HETATM 1979 C C36 . LIG_J J 10 .   ? -5.199  -12.393 3.944   1.00 8.12  1   J 1 
HETATM 1980 C C37 . LIG_J J 10 .   ? -5.726  -13.338 4.209   1.00 7.07  1   J 1 
HETATM 1981 C C38 . LIG_J J 10 .   ? -6.258  -14.289 4.461   1.00 4.63  1   J 1 
HETATM 1982 C C39 . LIG_J J 10 .   ? -6.820  -15.250 4.710   1.00 4.44  1   J 1 
HETATM 1983 C C40 . LIG_J J 10 .   ? -7.378  -16.196 4.956   1.00 4.27  1   J 1 
HETATM 1984 C C41 . LIG_J J 10 .   ? -7.933  -17.136 5.221   1.00 3.29  1   J 1 
HETATM 1985 C C42 . LIG_J J 10 .   ? -8.476  -18.002 5.480   1.00 2.77  1   J 1 
HETATM 1986 C C43 . LIG_J J 10 .   ? -9.061  -18.864 5.760   1.00 2.18  1   J 1 
HETATM 1987 C C44 . LIG_J J 10 .   ? -9.845  -19.722 6.039   1.00 2.48  1   J 1 
HETATM 1988 C C1  . LIG_K K 11 .   ? -10.367 -19.174 13.844  1.00 3.86  1   K 1 
HETATM 1989 C C2  . LIG_K K 11 .   ? -9.648  -19.825 14.333  1.00 3.88  1   K 1 
HETATM 1990 C C3  . LIG_K K 11 .   ? -8.558  -19.705 14.751  1.00 3.27  1   K 1 
HETATM 1991 C C4  . LIG_K K 11 .   ? -7.672  -19.054 14.692  1.00 4.27  1   K 1 
HETATM 1992 C C5  . LIG_K K 11 .   ? -6.864  -18.324 14.513  1.00 4.04  1   K 1 
HETATM 1993 C C6  . LIG_K K 11 .   ? -6.180  -17.517 14.146  1.00 3.80  1   K 1 
HETATM 1994 C C7  . LIG_K K 11 .   ? -5.550  -16.740 13.741  1.00 4.26  1   K 1 
HETATM 1995 C C8  . LIG_K K 11 .   ? -4.960  -15.925 13.284  1.00 4.42  1   K 1 
HETATM 1996 C C9  . LIG_K K 11 .   ? -4.413  -15.104 12.790  1.00 5.16  1   K 1 
HETATM 1997 C C10 . LIG_K K 11 .   ? -3.849  -14.249 12.274  1.00 5.97  1   K 1 
HETATM 1998 C C11 . LIG_K K 11 .   ? -3.274  -13.417 11.782  1.00 6.89  1   K 1 
HETATM 1999 C C12 . LIG_K K 11 .   ? -2.679  -12.592 11.282  1.00 7.90  1   K 1 
HETATM 2000 C C13 . LIG_K K 11 .   ? -2.034  -11.762 10.850  1.00 6.62  1   K 1 
HETATM 2001 C C14 . LIG_K K 11 .   ? -1.378  -10.942 10.401  1.00 6.81  1   K 1 
HETATM 2002 C C15 . LIG_K K 11 .   ? -0.609  -10.120 10.166  1.00 7.99  1   K 1 
HETATM 2003 C C16 . LIG_K K 11 .   ? 0.069   -9.248  9.756   1.00 9.05  1   K 1 
HETATM 2004 C C17 . LIG_K K 11 .   ? 1.041   -8.592  10.060  1.00 8.20  1   K 1 
HETATM 2005 C C18 . LIG_K K 11 .   ? 2.077   -8.986  10.835  1.00 8.25  1   K 1 
HETATM 2006 O O1  . LIG_K K 11 .   ? 2.824   -9.790  10.434  1.00 11.01 1   K 1 
HETATM 2007 O O2  . LIG_K K 11 .   ? 2.123   -8.505  12.016  1.00 10.47 1   K 1 
HETATM 2008 C C19 . LIG_K K 11 .   ? 2.994   -9.103  12.838  1.00 5.69  1   K 1 
HETATM 2009 C C20 . LIG_K K 11 .   ? 3.089   -8.418  14.123  1.00 9.41  1   K 1 
HETATM 2010 C C21 . LIG_K K 11 .   ? 3.961   -9.170  15.068  1.00 6.37  1   K 1 
HETATM 2011 O O3  . LIG_K K 11 .   ? 5.242   -8.836  14.837  1.00 7.97  1   K 1 
HETATM 2012 P P1  . LIG_K K 11 .   ? 6.304   -8.913  15.990  1.00 10.74 1   K 1 
HETATM 2013 O O4  . LIG_K K 11 .   ? 5.645   -8.874  17.260  1.00 7.85  1   K 1 
HETATM 2014 O O5  . LIG_K K 11 .   ? 7.229   -9.967  15.728  1.00 8.14  1   K 1 
HETATM 2015 O O6  . LIG_K K 11 .   ? 7.062   -7.561  15.744  1.00 10.48 1   K 1 
HETATM 2016 C C22 . LIG_K K 11 .   ? 6.659   -6.423  16.233  1.00 10.13 1   K 1 
HETATM 2017 C C23 . LIG_K K 11 .   ? 6.882   -5.337  15.311  1.00 15.02 1   K 1 
HETATM 2018 N N1  . LIG_K K 11 .   ? 5.749   -4.555  14.994  1.00 16.21 1   K 1 
HETATM 2019 C C24 . LIG_K K 11 .   ? 5.013   -5.193  13.957  1.00 11.99 1   K 1 
HETATM 2020 C C25 . LIG_K K 11 .   ? 6.201   -3.324  14.529  1.00 13.92 1   K 1 
HETATM 2021 C C26 . LIG_K K 11 .   ? 4.914   -4.373  16.114  1.00 12.57 1   K 1 
HETATM 2022 O O7  . LIG_K K 11 .   ? 1.832   -8.325  14.695  1.00 10.93 1   K 1 
HETATM 2023 C C27 . LIG_K K 11 .   ? 1.451   -7.150  15.081  1.00 12.44 1   K 1 
HETATM 2024 O O8  . LIG_K K 11 .   ? 2.082   -6.176  14.842  1.00 10.87 1   K 1 
HETATM 2025 C C28 . LIG_K K 11 .   ? 0.289   -7.113  15.734  1.00 8.66  1   K 1 
HETATM 2026 C C29 . LIG_K K 11 .   ? -0.587  -7.876  15.788  1.00 8.58  1   K 1 
HETATM 2027 C C30 . LIG_K K 11 .   ? -1.582  -8.357  16.020  1.00 7.39  1   K 1 
HETATM 2028 C C31 . LIG_K K 11 .   ? -2.463  -9.065  16.024  1.00 6.31  1   K 1 
HETATM 2029 C C32 . LIG_K K 11 .   ? -3.362  -9.692  16.040  1.00 7.28  1   K 1 
HETATM 2030 C C33 . LIG_K K 11 .   ? -4.240  -10.400 15.984  1.00 5.75  1   K 1 
HETATM 2031 C C34 . LIG_K K 11 .   ? -5.104  -11.106 15.887  1.00 5.26  1   K 1 
HETATM 2032 C C35 . LIG_K K 11 .   ? -5.942  -11.844 15.733  1.00 4.47  1   K 1 
HETATM 2033 C C36 . LIG_K K 11 .   ? -6.752  -12.602 15.537  1.00 4.81  1   K 1 
HETATM 2034 C C37 . LIG_K K 11 .   ? -7.524  -13.397 15.292  1.00 4.58  1   K 1 
HETATM 2035 C C38 . LIG_K K 11 .   ? -8.281  -14.208 15.011  1.00 3.60  1   K 1 
HETATM 2036 C C39 . LIG_K K 11 .   ? -9.022  -15.031 14.692  1.00 3.68  1   K 1 
HETATM 2037 C C40 . LIG_K K 11 .   ? -9.739  -15.848 14.363  1.00 3.67  1   K 1 
HETATM 2038 C C41 . LIG_K K 11 .   ? -10.446 -16.676 14.020  1.00 2.76  1   K 1 
HETATM 2039 C C42 . LIG_K K 11 .   ? -11.134 -17.439 13.657  1.00 2.42  1   K 1 
HETATM 2040 C C43 . LIG_K K 11 .   ? -11.860 -18.142 13.233  1.00 2.06  1   K 1 
HETATM 2041 C C44 . LIG_K K 11 .   ? -12.690 -18.783 12.671  1.00 2.36  1   K 1 
HETATM 2042 C C1  . LIG_L L 12 .   ? -20.809 -10.935 23.343  1.00 3.70  1   L 1 
HETATM 2043 C C2  . LIG_L L 12 .   ? -20.981 -9.970  23.653  1.00 4.53  1   L 1 
HETATM 2044 C C3  . LIG_L L 12 .   ? -20.985 -8.826  23.592  1.00 4.06  1   L 1 
HETATM 2045 C C4  . LIG_L L 12 .   ? -20.856 -7.778  23.333  1.00 5.00  1   L 1 
HETATM 2046 C C5  . LIG_L L 12 .   ? -20.625 -6.760  22.958  1.00 4.43  1   L 1 
HETATM 2047 C C6  . LIG_L L 12 .   ? -20.259 -5.812  22.494  1.00 4.26  1   L 1 
HETATM 2048 C C7  . LIG_L L 12 .   ? -19.815 -4.929  22.035  1.00 4.46  1   L 1 
HETATM 2049 C C8  . LIG_L L 12 .   ? -19.319 -4.038  21.604  1.00 4.66  1   L 1 
HETATM 2050 C C9  . LIG_L L 12 .   ? -18.791 -3.137  21.229  1.00 5.40  1   L 1 
HETATM 2051 C C10 . LIG_L L 12 .   ? -18.236 -2.191  20.893  1.00 6.12  1   L 1 
HETATM 2052 C C11 . LIG_L L 12 .   ? -17.674 -1.260  20.621  1.00 6.04  1   L 1 
HETATM 2053 C C12 . LIG_L L 12 .   ? -17.090 -0.328  20.367  1.00 6.45  1   L 1 
HETATM 2054 C C13 . LIG_L L 12 .   ? -16.488 0.604   20.184  1.00 5.50  1   L 1 
HETATM 2055 C C14 . LIG_L L 12 .   ? -15.894 1.516   19.939  1.00 5.76  1   L 1 
HETATM 2056 C C15 . LIG_L L 12 .   ? -15.262 2.441   19.786  1.00 6.54  1   L 1 
HETATM 2057 C C16 . LIG_L L 12 .   ? -14.688 3.355   19.406  1.00 6.85  1   L 1 
HETATM 2058 C C17 . LIG_L L 12 .   ? -14.051 4.314   19.272  1.00 6.44  1   L 1 
HETATM 2059 C C18 . LIG_L L 12 .   ? -13.808 5.069   18.223  1.00 6.66  1   L 1 
HETATM 2060 O O1  . LIG_L L 12 .   ? -13.420 6.162   18.314  1.00 10.34 1   L 1 
HETATM 2061 O O2  . LIG_L L 12 .   ? -14.076 4.479   17.137  1.00 8.13  1   L 1 
HETATM 2062 C C19 . LIG_L L 12 .   ? -14.069 5.183   15.998  1.00 6.43  1   L 1 
HETATM 2063 C C20 . LIG_L L 12 .   ? -13.996 4.292   14.842  1.00 8.65  1   L 1 
HETATM 2064 C C21 . LIG_L L 12 .   ? -14.258 5.054   13.621  1.00 7.72  1   L 1 
HETATM 2065 O O3  . LIG_L L 12 .   ? -13.172 5.799   13.413  1.00 8.47  1   L 1 
HETATM 2066 P P1  . LIG_L L 12 .   ? -13.124 6.746   12.218  1.00 14.16 1   L 1 
HETATM 2067 O O4  . LIG_L L 12 .   ? -13.223 5.958   11.025  1.00 13.86 1   L 1 
HETATM 2068 O O5  . LIG_L L 12 .   ? -13.985 7.838   12.415  1.00 10.28 1   L 1 
HETATM 2069 O O6  . LIG_L L 12 .   ? -11.656 7.203   12.401  1.00 11.90 1   L 1 
HETATM 2070 C C22 . LIG_L L 12 .   ? -11.025 7.912   11.497  1.00 11.95 1   L 1 
HETATM 2071 C C23 . LIG_L L 12 .   ? -9.607  7.732   11.610  1.00 16.78 1   L 1 
HETATM 2072 N N1  . LIG_L L 12 .   ? -9.029  8.390   12.677  1.00 16.84 1   L 1 
HETATM 2073 C C24 . LIG_L L 12 .   ? -7.685  8.465   12.730  1.00 14.12 1   L 1 
HETATM 2074 C C25 . LIG_L L 12 .   ? -8.813  7.471   12.980  1.00 14.79 1   L 1 
HETATM 2075 C C26 . LIG_L L 12 .   ? -9.344  9.677   12.528  1.00 15.36 1   L 1 
HETATM 2076 O O7  . LIG_L L 12 .   ? -14.932 3.293   14.920  1.00 9.29  1   L 1 
HETATM 2077 C C27 . LIG_L L 12 .   ? -14.451 2.112   14.981  1.00 9.10  1   L 1 
HETATM 2078 O O8  . LIG_L L 12 .   ? -13.267 1.911   14.965  1.00 8.58  1   L 1 
HETATM 2079 C C28 . LIG_L L 12 .   ? -15.340 1.167   15.123  1.00 6.15  1   L 1 
HETATM 2080 C C29 . LIG_L L 12 .   ? -15.296 0.119   15.602  1.00 6.64  1   L 1 
HETATM 2081 C C30 . LIG_L L 12 .   ? -15.690 -0.866  15.996  1.00 6.12  1   L 1 
HETATM 2082 C C31 . LIG_L L 12 .   ? -15.889 -1.869  16.448  1.00 5.53  1   L 1 
HETATM 2083 C C32 . LIG_L L 12 .   ? -16.214 -2.859  16.860  1.00 5.71  1   L 1 
HETATM 2084 C C33 . LIG_L L 12 .   ? -16.495 -3.854  17.298  1.00 5.05  1   L 1 
HETATM 2085 C C34 . LIG_L L 12 .   ? -16.814 -4.855  17.730  1.00 4.56  1   L 1 
HETATM 2086 C C35 . LIG_L L 12 .   ? -17.117 -5.840  18.159  1.00 4.33  1   L 1 
HETATM 2087 C C36 . LIG_L L 12 .   ? -17.432 -6.842  18.580  1.00 4.60  1   L 1 
HETATM 2088 C C37 . LIG_L L 12 .   ? -17.743 -7.821  19.028  1.00 4.46  1   L 1 
HETATM 2089 C C38 . LIG_L L 12 .   ? -18.075 -8.789  19.505  1.00 3.58  1   L 1 
HETATM 2090 C C39 . LIG_L L 12 .   ? -18.450 -9.733  20.027  1.00 3.74  1   L 1 
HETATM 2091 C C40 . LIG_L L 12 .   ? -18.886 -10.605 20.604  1.00 3.76  1   L 1 
HETATM 2092 C C41 . LIG_L L 12 .   ? -19.382 -11.403 21.237  1.00 3.00  1   L 1 
HETATM 2093 C C42 . LIG_L L 12 .   ? -19.873 -12.165 21.850  1.00 2.78  1   L 1 
HETATM 2094 C C43 . LIG_L L 12 .   ? -20.376 -12.931 22.455  1.00 2.27  1   L 1 
HETATM 2095 C C44 . LIG_L L 12 .   ? -20.891 -13.834 23.054  1.00 2.71  1   L 1 
HETATM 2096 C C1  . LIG_M M 13 .   ? -9.334  -19.078 9.966   1.00 4.04  1   M 1 
HETATM 2097 C C2  . LIG_M M 13 .   ? -8.889  -20.011 10.318  1.00 3.71  1   M 1 
HETATM 2098 C C3  . LIG_M M 13 .   ? -7.810  -20.230 10.336  1.00 3.21  1   M 1 
HETATM 2099 C C4  . LIG_M M 13 .   ? -6.877  -19.718 10.031  1.00 4.00  1   M 1 
HETATM 2100 C C5  . LIG_M M 13 .   ? -6.085  -19.088 9.696   1.00 3.70  1   M 1 
HETATM 2101 C C6  . LIG_M M 13 .   ? -5.351  -18.366 9.301   1.00 3.54  1   M 1 
HETATM 2102 C C7  . LIG_M M 13 .   ? -4.676  -17.654 8.915   1.00 4.20  1   M 1 
HETATM 2103 C C8  . LIG_M M 13 .   ? -3.981  -16.914 8.522   1.00 4.33  1   M 1 
HETATM 2104 C C9  . LIG_M M 13 .   ? -3.299  -16.200 8.119   1.00 5.71  1   M 1 
HETATM 2105 C C10 . LIG_M M 13 .   ? -2.572  -15.445 7.698   1.00 7.02  1   M 1 
HETATM 2106 C C11 . LIG_M M 13 .   ? -1.883  -14.724 7.247   1.00 8.34  1   M 1 
HETATM 2107 C C12 . LIG_M M 13 .   ? -1.151  -13.968 6.847   1.00 9.61  1   M 1 
HETATM 2108 C C13 . LIG_M M 13 .   ? -0.501  -13.181 6.369   1.00 8.54  1   M 1 
HETATM 2109 C C14 . LIG_M M 13 .   ? 0.240   -12.399 6.039   1.00 8.65  1   M 1 
HETATM 2110 C C15 . LIG_M M 13 .   ? 0.841   -11.583 5.571   1.00 10.40 1   M 1 
HETATM 2111 C C16 . LIG_M M 13 .   ? 1.633   -10.749 5.403   1.00 12.53 1   M 1 
HETATM 2112 C C17 . LIG_M M 13 .   ? 2.076   -9.820  4.939   1.00 13.57 1   M 1 
HETATM 2113 C C18 . LIG_M M 13 .   ? 3.086   -9.025  5.195   1.00 17.00 1   M 1 
HETATM 2114 O O1  . LIG_M M 13 .   ? 4.162   -9.448  5.371   1.00 18.40 1   M 1 
HETATM 2115 O O2  . LIG_M M 13 .   ? 2.775   -7.811  5.298   1.00 16.41 1   M 1 
HETATM 2116 C C19 . LIG_M M 13 .   ? 3.691   -7.047  5.877   1.00 13.14 1   M 1 
HETATM 2117 C C20 . LIG_M M 13 .   ? 3.211   -5.690  6.089   1.00 17.23 1   M 1 
HETATM 2118 C C21 . LIG_M M 13 .   ? 3.886   -5.139  7.288   1.00 14.14 1   M 1 
HETATM 2119 O O3  . LIG_M M 13 .   ? 4.523   -4.004  6.940   1.00 18.97 1   M 1 
HETATM 2120 P P1  . LIG_M M 13 .   ? 5.509   -3.373  7.939   1.00 26.77 1   M 1 
HETATM 2121 O O4  . LIG_M M 13 .   ? 6.284   -2.387  7.196   1.00 19.92 1   M 1 
HETATM 2122 O O5  . LIG_M M 13 .   ? 4.843   -2.956  9.129   1.00 24.00 1   M 1 
HETATM 2123 O O6  . LIG_M M 13 .   ? 6.366   -4.613  8.245   1.00 20.53 1   M 1 
HETATM 2124 C C22 . LIG_M M 13 .   ? 7.463   -4.606  8.919   1.00 20.63 1   M 1 
HETATM 2125 C C23 . LIG_M M 13 .   ? 8.606   -4.884  8.057   1.00 26.67 1   M 1 
HETATM 2126 N N1  . LIG_M M 13 .   ? 9.808   -4.982  8.761   1.00 22.54 1   M 1 
HETATM 2127 C C24 . LIG_M M 13 .   ? 10.868  -5.073  7.839   1.00 20.57 1   M 1 
HETATM 2128 C C25 . LIG_M M 13 .   ? 9.986   -3.845  9.569   1.00 22.31 1   M 1 
HETATM 2129 C C26 . LIG_M M 13 .   ? 9.781   -6.136  9.559   1.00 22.17 1   M 1 
HETATM 2130 O O7  . LIG_M M 13 .   ? 1.864   -5.677  6.346   1.00 19.39 1   M 1 
HETATM 2131 C C27 . LIG_M M 13 .   ? 1.154   -4.922  5.597   1.00 20.19 1   M 1 
HETATM 2132 O O8  . LIG_M M 13 .   ? 1.610   -4.233  4.745   1.00 20.10 1   M 1 
HETATM 2133 C C28 . LIG_M M 13 .   ? -0.116  -5.009  5.824   1.00 19.20 1   M 1 
HETATM 2134 C C29 . LIG_M M 13 .   ? -1.051  -5.458  5.903   1.00 18.26 1   M 1 
HETATM 2135 C C30 . LIG_M M 13 .   ? -2.078  -5.877  6.151   1.00 17.00 1   M 1 
HETATM 2136 C C31 . LIG_M M 13 .   ? -2.941  -6.446  6.488   1.00 15.31 1   M 1 
HETATM 2137 C C32 . LIG_M M 13 .   ? -3.750  -7.057  6.910   1.00 13.79 1   M 1 
HETATM 2138 C C33 . LIG_M M 13 .   ? -4.443  -7.789  7.369   1.00 11.88 1   M 1 
HETATM 2139 C C34 . LIG_M M 13 .   ? -5.110  -8.579  7.799   1.00 10.46 1   M 1 
HETATM 2140 C C35 . LIG_M M 13 .   ? -5.708  -9.438  8.183   1.00 8.32  1   M 1 
HETATM 2141 C C36 . LIG_M M 13 .   ? -6.257  -10.366 8.488   1.00 8.95  1   M 1 
HETATM 2142 C C37 . LIG_M M 13 .   ? -6.759  -11.348 8.751   1.00 8.32  1   M 1 
HETATM 2143 C C38 . LIG_M M 13 .   ? -7.252  -12.358 8.975   1.00 5.70  1   M 1 
HETATM 2144 C C39 . LIG_M M 13 .   ? -7.729  -13.403 9.165   1.00 5.23  1   M 1 
HETATM 2145 C C40 . LIG_M M 13 .   ? -8.213  -14.449 9.332   1.00 4.77  1   M 1 
HETATM 2146 C C41 . LIG_M M 13 .   ? -8.721  -15.488 9.476   1.00 3.50  1   M 1 
HETATM 2147 C C42 . LIG_M M 13 .   ? -9.269  -16.441 9.586   1.00 2.88  1   M 1 
HETATM 2148 C C43 . LIG_M M 13 .   ? -9.863  -17.336 9.646   1.00 2.24  1   M 1 
HETATM 2149 C C44 . LIG_M M 13 .   ? -10.738 -18.239 9.593   1.00 2.47  1   M 1 
HETATM 2150 C C1  . LIG_N N 14 .   ? -18.890 -16.780 7.173   1.00 3.73  1   N 1 
HETATM 2151 C C2  . LIG_N N 14 .   ? -19.867 -17.404 7.115   1.00 3.65  1   N 1 
HETATM 2152 C C3  . LIG_N N 14 .   ? -20.738 -17.295 6.361   1.00 3.10  1   N 1 
HETATM 2153 C C4  . LIG_N N 14 .   ? -20.980 -16.672 5.450   1.00 3.90  1   N 1 
HETATM 2154 C C5  . LIG_N N 14 .   ? -20.949 -15.979 4.594   1.00 3.33  1   N 1 
HETATM 2155 C C6  . LIG_N N 14 .   ? -20.716 -15.246 3.774   1.00 3.19  1   N 1 
HETATM 2156 C C7  . LIG_N N 14 .   ? -20.386 -14.525 3.027   1.00 3.34  1   N 1 
HETATM 2157 C C8  . LIG_N N 14 .   ? -20.004 -13.766 2.312   1.00 3.38  1   N 1 
HETATM 2158 C C9  . LIG_N N 14 .   ? -19.622 -12.970 1.648   1.00 4.06  1   N 1 
HETATM 2159 C C10 . LIG_N N 14 .   ? -19.242 -12.116 0.993   1.00 4.36  1   N 1 
HETATM 2160 C C11 . LIG_N N 14 .   ? -18.913 -11.243 0.386   1.00 4.88  1   N 1 
HETATM 2161 C C12 . LIG_N N 14 .   ? -18.581 -10.331 -0.222  1.00 5.24  1   N 1 
HETATM 2162 C C13 . LIG_N N 14 .   ? -18.328 -9.369  -0.754  1.00 4.62  1   N 1 
HETATM 2163 C C14 . LIG_N N 14 .   ? -18.065 -8.417  -1.350  1.00 4.71  1   N 1 
HETATM 2164 C C15 . LIG_N N 14 .   ? -17.906 -7.399  -1.774  1.00 5.05  1   N 1 
HETATM 2165 C C16 . LIG_N N 14 .   ? -17.690 -6.456  -2.431  1.00 5.42  1   N 1 
HETATM 2166 C C17 . LIG_N N 14 .   ? -17.561 -5.352  -2.687  1.00 5.36  1   N 1 
HETATM 2167 C C18 . LIG_N N 14 .   ? -17.235 -4.637  -3.737  1.00 6.52  1   N 1 
HETATM 2168 O O1  . LIG_N N 14 .   ? -17.165 -5.123  -4.806  1.00 7.33  1   N 1 
HETATM 2169 O O2  . LIG_N N 14 .   ? -16.988 -3.418  -3.512  1.00 7.50  1   N 1 
HETATM 2170 C C19 . LIG_N N 14 .   ? -16.528 -2.754  -4.582  1.00 6.16  1   N 1 
HETATM 2171 C C20 . LIG_N N 14 .   ? -15.486 -1.806  -4.231  1.00 9.86  1   N 1 
HETATM 2172 C C21 . LIG_N N 14 .   ? -15.062 -1.044  -5.424  1.00 7.72  1   N 1 
HETATM 2173 O O3  . LIG_N N 14 .   ? -16.143 -0.460  -5.972  1.00 7.48  1   N 1 
HETATM 2174 P P1  . LIG_N N 14 .   ? -16.062 1.008   -6.482  1.00 9.69  1   N 1 
HETATM 2175 O O4  . LIG_N N 14 .   ? -16.513 1.883   -5.411  1.00 8.54  1   N 1 
HETATM 2176 O O5  . LIG_N N 14 .   ? -14.790 1.266   -7.060  1.00 11.44 1   N 1 
HETATM 2177 O O6  . LIG_N N 14 .   ? -17.160 0.988   -7.596  1.00 6.69  1   N 1 
HETATM 2178 C C22 . LIG_N N 14 .   ? -17.424 -0.054  -8.346  1.00 5.75  1   N 1 
HETATM 2179 C C23 . LIG_N N 14 .   ? -18.498 0.218   -9.264  1.00 6.10  1   N 1 
HETATM 2180 N N1  . LIG_N N 14 .   ? -19.709 0.665   -8.677  1.00 8.60  1   N 1 
HETATM 2181 C C24 . LIG_N N 14 .   ? -20.762 0.003   -9.276  1.00 3.34  1   N 1 
HETATM 2182 C C25 . LIG_N N 14 .   ? -19.740 0.387   -7.308  1.00 4.58  1   N 1 
HETATM 2183 C C26 . LIG_N N 14 .   ? -19.845 2.044   -8.912  1.00 4.13  1   N 1 
HETATM 2184 O O7  . LIG_N N 14 .   ? -14.362 -2.506  -3.802  1.00 10.11 1   N 1 
HETATM 2185 C C27 . LIG_N N 14 .   ? -13.720 -2.014  -2.805  1.00 12.86 1   N 1 
HETATM 2186 O O8  . LIG_N N 14 .   ? -14.143 -1.088  -2.180  1.00 13.29 1   N 1 
HETATM 2187 C C28 . LIG_N N 14 .   ? -12.571 -2.664  -2.490  1.00 10.41 1   N 1 
HETATM 2188 C C29 . LIG_N N 14 .   ? -12.406 -3.433  -1.583  1.00 11.58 1   N 1 
HETATM 2189 C C30 . LIG_N N 14 .   ? -12.420 -4.208  -0.800  1.00 8.91  1   N 1 
HETATM 2190 C C31 . LIG_N N 14 .   ? -12.569 -5.042  -0.036  1.00 7.85  1   N 1 
HETATM 2191 C C32 . LIG_N N 14 .   ? -12.811 -5.886  0.640   1.00 8.62  1   N 1 
HETATM 2192 C C33 . LIG_N N 14 .   ? -13.129 -6.769  1.271   1.00 7.12  1   N 1 
HETATM 2193 C C34 . LIG_N N 14 .   ? -13.485 -7.668  1.838   1.00 6.13  1   N 1 
HETATM 2194 C C35 . LIG_N N 14 .   ? -13.845 -8.578  2.396   1.00 5.20  1   N 1 
HETATM 2195 C C36 . LIG_N N 14 .   ? -14.220 -9.496  2.946   1.00 5.28  1   N 1 
HETATM 2196 C C37 . LIG_N N 14 .   ? -14.597 -10.419 3.511   1.00 4.93  1   N 1 
HETATM 2197 C C38 . LIG_N N 14 .   ? -14.999 -11.326 4.100   1.00 3.39  1   N 1 
HETATM 2198 C C39 . LIG_N N 14 .   ? -15.445 -12.233 4.711   1.00 3.48  1   N 1 
HETATM 2199 C C40 . LIG_N N 14 .   ? -15.900 -13.107 5.336   1.00 3.50  1   N 1 
HETATM 2200 C C41 . LIG_N N 14 .   ? -16.373 -13.982 5.977   1.00 2.80  1   N 1 
HETATM 2201 C C42 . LIG_N N 14 .   ? -16.799 -14.797 6.614   1.00 2.46  1   N 1 
HETATM 2202 C C43 . LIG_N N 14 .   ? -17.202 -15.576 7.274   1.00 1.95  1   N 1 
HETATM 2203 C C44 . LIG_N N 14 .   ? -17.480 -16.398 8.163   1.00 2.20  1   N 1 
HETATM 2204 C C1  . LIG_O O 15 .   ? -24.315 -14.068 11.557  1.00 3.60  1   O 1 
HETATM 2205 C C2  . LIG_O O 15 .   ? -23.542 -14.777 11.317  1.00 3.94  1   O 1 
HETATM 2206 C C3  . LIG_O O 15 .   ? -22.631 -14.742 10.590  1.00 3.41  1   O 1 
HETATM 2207 C C4  . LIG_O O 15 .   ? -22.094 -14.162 9.796   1.00 4.31  1   O 1 
HETATM 2208 C C5  . LIG_O O 15 .   ? -21.654 -13.510 9.005   1.00 3.58  1   O 1 
HETATM 2209 C C6  . LIG_O O 15 .   ? -21.320 -12.765 8.200   1.00 3.14  1   O 1 
HETATM 2210 C C7  . LIG_O O 15 .   ? -21.038 -12.031 7.413   1.00 3.49  1   O 1 
HETATM 2211 C C8  . LIG_O O 15 .   ? -20.775 -11.249 6.623   1.00 3.54  1   O 1 
HETATM 2212 C C9  . LIG_O O 15 .   ? -20.488 -10.476 5.854   1.00 4.24  1   O 1 
HETATM 2213 C C10 . LIG_O O 15 .   ? -20.161 -9.644  5.094   1.00 4.62  1   O 1 
HETATM 2214 C C11 . LIG_O O 15 .   ? -19.811 -8.802  4.413   1.00 4.77  1   O 1 
HETATM 2215 C C12 . LIG_O O 15 .   ? -19.382 -7.920  3.779   1.00 5.43  1   O 1 
HETATM 2216 C C13 . LIG_O O 15 .   ? -18.980 -7.025  3.181   1.00 4.70  1   O 1 
HETATM 2217 C C14 . LIG_O O 15 .   ? -18.506 -6.090  2.654   1.00 4.84  1   O 1 
HETATM 2218 C C15 . LIG_O O 15 .   ? -18.153 -5.167  2.099   1.00 5.22  1   O 1 
HETATM 2219 C C16 . LIG_O O 15 .   ? -17.583 -4.207  1.665   1.00 5.89  1   O 1 
HETATM 2220 C C17 . LIG_O O 15 .   ? -17.431 -3.225  1.101   1.00 5.33  1   O 1 
HETATM 2221 C C18 . LIG_O O 15 .   ? -16.550 -2.237  0.914   1.00 6.73  1   O 1 
HETATM 2222 O O1  . LIG_O O 15 .   ? -15.410 -2.379  1.128   1.00 9.26  1   O 1 
HETATM 2223 O O2  . LIG_O O 15 .   ? -17.059 -1.139  0.522   1.00 7.37  1   O 1 
HETATM 2224 C C19 . LIG_O O 15 .   ? -16.276 -0.039  0.563   1.00 6.26  1   O 1 
HETATM 2225 C C20 . LIG_O O 15 .   ? -17.105 1.154   0.867   1.00 8.84  1   O 1 
HETATM 2226 C C21 . LIG_O O 15 .   ? -16.282 2.380   0.896   1.00 7.20  1   O 1 
HETATM 2227 O O3  . LIG_O O 15 .   ? -16.208 2.878   -0.357  1.00 9.25  1   O 1 
HETATM 2228 P P1  . LIG_O O 15 .   ? -15.869 4.374   -0.584  1.00 13.69 1   O 1 
HETATM 2229 O O4  . LIG_O O 15 .   ? -15.757 4.570   -2.003  1.00 10.86 1   O 1 
HETATM 2230 O O5  . LIG_O O 15 .   ? -14.784 4.796   0.239   1.00 12.67 1   O 1 
HETATM 2231 O O6  . LIG_O O 15 .   ? -17.153 5.023   -0.035  1.00 9.06  1   O 1 
HETATM 2232 C C22 . LIG_O O 15 .   ? -17.921 5.875   -0.691  1.00 7.66  1   O 1 
HETATM 2233 C C23 . LIG_O O 15 .   ? -19.308 5.475   -0.524  1.00 9.30  1   O 1 
HETATM 2234 N N1  . LIG_O O 15 .   ? -20.095 5.603   -1.695  1.00 10.15 1   O 1 
HETATM 2235 C C24 . LIG_O O 15 .   ? -20.581 6.913   -1.786  1.00 4.93  1   O 1 
HETATM 2236 C C25 . LIG_O O 15 .   ? -21.138 4.673   -1.593  1.00 5.79  1   O 1 
HETATM 2237 C C26 . LIG_O O 15 .   ? -19.305 5.311   -2.838  1.00 6.12  1   O 1 
HETATM 2238 O O7  . LIG_O O 15 .   ? -17.644 1.018   2.144   1.00 8.56  1   O 1 
HETATM 2239 C C27 . LIG_O O 15 .   ? -18.924 0.982   2.217   1.00 8.38  1   O 1 
HETATM 2240 O O8  . LIG_O O 15 .   ? -19.593 1.181   1.252   1.00 6.90  1   O 1 
HETATM 2241 C C28 . LIG_O O 15 .   ? -19.411 0.636   3.424   1.00 5.35  1   O 1 
HETATM 2242 C C29 . LIG_O O 15 .   ? -19.690 -0.488  3.802   1.00 6.44  1   O 1 
HETATM 2243 C C30 . LIG_O O 15 .   ? -20.014 -1.364  4.458   1.00 5.64  1   O 1 
HETATM 2244 C C31 . LIG_O O 15 .   ? -20.314 -2.362  4.949   1.00 4.79  1   O 1 
HETATM 2245 C C32 . LIG_O O 15 .   ? -20.662 -3.268  5.526   1.00 5.38  1   O 1 
HETATM 2246 C C33 . LIG_O O 15 .   ? -21.034 -4.214  6.056   1.00 4.61  1   O 1 
HETATM 2247 C C34 . LIG_O O 15 .   ? -21.459 -5.126  6.611   1.00 4.36  1   O 1 
HETATM 2248 C C35 . LIG_O O 15 .   ? -21.910 -6.016  7.173   1.00 3.99  1   O 1 
HETATM 2249 C C36 . LIG_O O 15 .   ? -22.380 -6.895  7.754   1.00 4.22  1   O 1 
HETATM 2250 C C37 . LIG_O O 15 .   ? -22.848 -7.764  8.362   1.00 3.93  1   O 1 
HETATM 2251 C C38 . LIG_O O 15 .   ? -23.321 -8.621  8.991   1.00 3.26  1   O 1 
HETATM 2252 C C39 . LIG_O O 15 .   ? -23.801 -9.488  9.629   1.00 3.29  1   O 1 
HETATM 2253 C C40 . LIG_O O 15 .   ? -24.258 -10.349 10.261  1.00 3.68  1   O 1 
HETATM 2254 C C41 . LIG_O O 15 .   ? -24.694 -11.223 10.893  1.00 2.83  1   O 1 
HETATM 2255 C C42 . LIG_O O 15 .   ? -25.105 -12.042 11.521  1.00 2.75  1   O 1 
HETATM 2256 C C43 . LIG_O O 15 .   ? -25.520 -12.830 12.202  1.00 2.19  1   O 1 
HETATM 2257 C C44 . LIG_O O 15 .   ? -26.056 -13.596 13.010  1.00 2.56  1   O 1 
HETATM 2258 C C1  . LIG_P P 16 .   ? -0.721  -25.568 4.609   1.00 3.77  1   P 1 
HETATM 2259 C C2  . LIG_P P 16 .   ? -0.949  -26.642 4.308   1.00 4.05  1   P 1 
HETATM 2260 C C3  . LIG_P P 16 .   ? -0.570  -27.416 3.516   1.00 3.80  1   P 1 
HETATM 2261 C C4  . LIG_P P 16 .   ? 0.203   -27.660 2.744   1.00 4.25  1   P 1 
HETATM 2262 C C5  . LIG_P P 16 .   ? 1.008   -27.774 2.000   1.00 3.92  1   P 1 
HETATM 2263 C C6  . LIG_P P 16 .   ? 1.855   -27.598 1.278   1.00 3.49  1   P 1 
HETATM 2264 C C7  . LIG_P P 16 .   ? 2.602   -27.204 0.624   1.00 3.80  1   P 1 
HETATM 2265 C C8  . LIG_P P 16 .   ? 3.294   -26.673 -0.033  1.00 3.58  1   P 1 
HETATM 2266 C C9  . LIG_P P 16 .   ? 3.895   -26.056 -0.682  1.00 3.98  1   P 1 
HETATM 2267 C C10 . LIG_P P 16 .   ? 4.458   -25.382 -1.371  1.00 4.13  1   P 1 
HETATM 2268 C C11 . LIG_P P 16 .   ? 4.949   -24.689 -2.061  1.00 3.65  1   P 1 
HETATM 2269 C C12 . LIG_P P 16 .   ? 5.445   -23.965 -2.750  1.00 3.92  1   P 1 
HETATM 2270 C C13 . LIG_P P 16 .   ? 5.917   -23.208 -3.397  1.00 3.21  1   P 1 
HETATM 2271 C C14 . LIG_P P 16 .   ? 6.441   -22.471 -4.054  1.00 3.52  1   P 1 
HETATM 2272 C C15 . LIG_P P 16 .   ? 6.932   -21.687 -4.629  1.00 3.50  1   P 1 
HETATM 2273 C C16 . LIG_P P 16 .   ? 7.522   -20.992 -5.312  1.00 3.59  1   P 1 
HETATM 2274 C C17 . LIG_P P 16 .   ? 7.940   -20.124 -5.790  1.00 3.11  1   P 1 
HETATM 2275 C C18 . LIG_P P 16 .   ? 8.755   -19.748 -6.713  1.00 3.56  1   P 1 
HETATM 2276 O O1  . LIG_P P 16 .   ? 9.337   -20.534 -7.354  1.00 5.06  1   P 1 
HETATM 2277 O O2  . LIG_P P 16 .   ? 8.851   -18.527 -6.853  1.00 4.19  1   P 1 
HETATM 2278 C C19 . LIG_P P 16 .   ? 9.707   -18.158 -7.787  1.00 3.03  1   P 1 
HETATM 2279 C C20 . LIG_P P 16 .   ? 9.409   -16.810 -8.257  1.00 4.31  1   P 1 
HETATM 2280 C C21 . LIG_P P 16 .   ? 10.666  -16.178 -8.757  1.00 4.12  1   P 1 
HETATM 2281 O O3  . LIG_P P 16 .   ? 11.118  -15.345 -7.808  1.00 4.98  1   P 1 
HETATM 2282 P P1  . LIG_P P 16 .   ? 12.462  -14.604 -7.992  1.00 8.04  1   P 1 
HETATM 2283 O O4  . LIG_P P 16 .   ? 13.443  -15.522 -8.507  1.00 6.71  1   P 1 
HETATM 2284 O O5  . LIG_P P 16 .   ? 12.734  -13.841 -6.825  1.00 8.09  1   P 1 
HETATM 2285 O O6  . LIG_P P 16 .   ? 12.079  -13.587 -9.133  1.00 8.18  1   P 1 
HETATM 2286 C C22 . LIG_P P 16 .   ? 12.912  -13.249 -10.114 1.00 7.51  1   P 1 
HETATM 2287 C C23 . LIG_P P 16 .   ? 12.203  -13.268 -11.369 1.00 9.46  1   P 1 
HETATM 2288 N N1  . LIG_P P 16 .   ? 13.031  -13.116 -12.507 1.00 10.79 1   P 1 
HETATM 2289 C C24 . LIG_P P 16 .   ? 12.188  -12.881 -13.606 1.00 7.17  1   P 1 
HETATM 2290 C C25 . LIG_P P 16 .   ? 13.767  -14.315 -12.706 1.00 8.18  1   P 1 
HETATM 2291 C C26 . LIG_P P 16 .   ? 13.892  -12.019 -12.349 1.00 8.44  1   P 1 
HETATM 2292 O O7  . LIG_P P 16 .   ? 8.943   -16.038 -7.213  1.00 5.31  1   P 1 
HETATM 2293 C C27 . LIG_P P 16 .   ? 7.744   -15.591 -7.346  1.00 5.47  1   P 1 
HETATM 2294 O O8  . LIG_P P 16 .   ? 7.062   -15.936 -8.271  1.00 5.06  1   P 1 
HETATM 2295 C C28 . LIG_P P 16 .   ? 7.293   -14.777 -6.374  1.00 4.77  1   P 1 
HETATM 2296 C C29 . LIG_P P 16 .   ? 6.452   -15.141 -5.573  1.00 5.74  1   P 1 
HETATM 2297 C C30 . LIG_P P 16 .   ? 5.825   -15.840 -4.972  1.00 5.32  1   P 1 
HETATM 2298 C C31 . LIG_P P 16 .   ? 5.203   -16.513 -4.283  1.00 4.62  1   P 1 
HETATM 2299 C C32 . LIG_P P 16 .   ? 4.682   -17.227 -3.603  1.00 4.84  1   P 1 
HETATM 2300 C C33 . LIG_P P 16 .   ? 4.168   -17.919 -2.877  1.00 4.22  1   P 1 
HETATM 2301 C C34 . LIG_P P 16 .   ? 3.674   -18.615 -2.146  1.00 3.70  1   P 1 
HETATM 2302 C C35 . LIG_P P 16 .   ? 3.199   -19.296 -1.388  1.00 3.49  1   P 1 
HETATM 2303 C C36 . LIG_P P 16 .   ? 2.743   -19.955 -0.591  1.00 3.60  1   P 1 
HETATM 2304 C C37 . LIG_P P 16 .   ? 2.299   -20.575 0.249   1.00 3.31  1   P 1 
HETATM 2305 C C38 . LIG_P P 16 .   ? 1.849   -21.147 1.124   1.00 3.04  1   P 1 
HETATM 2306 C C39 . LIG_P P 16 .   ? 1.379   -21.699 2.013   1.00 3.04  1   P 1 
HETATM 2307 C C40 . LIG_P P 16 .   ? 0.897   -22.229 2.903   1.00 3.25  1   P 1 
HETATM 2308 C C41 . LIG_P P 16 .   ? 0.406   -22.738 3.796   1.00 2.70  1   P 1 
HETATM 2309 C C42 . LIG_P P 16 .   ? -0.077  -23.157 4.676   1.00 2.49  1   P 1 
HETATM 2310 C C43 . LIG_P P 16 .   ? -0.580  -23.505 5.583   1.00 2.26  1   P 1 
HETATM 2311 C C44 . LIG_P P 16 .   ? -1.144  -23.734 6.625   1.00 2.38  1   P 1 
HETATM 2312 C C1  . LIG_Q Q 17 .   ? -28.779 -7.087  14.097  1.00 4.22  1   Q 1 
HETATM 2313 C C2  . LIG_Q Q 17 .   ? -29.385 -6.224  14.349  1.00 4.58  1   Q 1 
HETATM 2314 C C3  . LIG_Q Q 17 .   ? -29.561 -5.077  14.103  1.00 3.98  1   Q 1 
HETATM 2315 C C4  . LIG_Q Q 17 .   ? -29.258 -4.176  13.515  1.00 4.91  1   Q 1 
HETATM 2316 C C5  . LIG_Q Q 17 .   ? -28.879 -3.283  12.944  1.00 4.17  1   Q 1 
HETATM 2317 C C6  . LIG_Q Q 17 .   ? -28.354 -2.429  12.382  1.00 3.66  1   Q 1 
HETATM 2318 C C7  . LIG_Q Q 17 .   ? -27.793 -1.612  11.875  1.00 4.00  1   Q 1 
HETATM 2319 C C8  . LIG_Q Q 17 .   ? -27.178 -0.800  11.379  1.00 3.97  1   Q 1 
HETATM 2320 C C9  . LIG_Q Q 17 .   ? -26.555 -0.004  10.899  1.00 4.40  1   Q 1 
HETATM 2321 C C10 . LIG_Q Q 17 .   ? -25.890 0.824   10.431  1.00 4.97  1   Q 1 
HETATM 2322 C C11 . LIG_Q Q 17 .   ? -25.246 1.639   9.991   1.00 4.91  1   Q 1 
HETATM 2323 C C12 . LIG_Q Q 17 .   ? -24.553 2.448   9.533   1.00 5.65  1   Q 1 
HETATM 2324 C C13 . LIG_Q Q 17 .   ? -23.904 3.281   9.089   1.00 4.64  1   Q 1 
HETATM 2325 C C14 . LIG_Q Q 17 .   ? -23.207 4.057   8.604   1.00 4.92  1   Q 1 
HETATM 2326 C C15 . LIG_Q Q 17 .   ? -22.626 4.907   8.143   1.00 5.29  1   Q 1 
HETATM 2327 C C16 . LIG_Q Q 17 .   ? -21.886 5.603   7.554   1.00 5.55  1   Q 1 
HETATM 2328 C C17 . LIG_Q Q 17 .   ? -21.492 6.566   7.089   1.00 4.90  1   Q 1 
HETATM 2329 C C18 . LIG_Q Q 17 .   ? -20.527 6.932   6.287   1.00 5.90  1   Q 1 
HETATM 2330 O O1  . LIG_Q Q 17 .   ? -20.744 7.514   5.302   1.00 7.96  1   Q 1 
HETATM 2331 O O2  . LIG_Q Q 17 .   ? -19.387 6.544   6.635   1.00 6.98  1   Q 1 
HETATM 2332 C C19 . LIG_Q Q 17 .   ? -18.399 6.812   5.766   1.00 5.60  1   Q 1 
HETATM 2333 C C20 . LIG_Q Q 17 .   ? -17.175 6.156   6.191   1.00 10.03 1   Q 1 
HETATM 2334 C C21 . LIG_Q Q 17 .   ? -16.047 6.706   5.414   1.00 9.22  1   Q 1 
HETATM 2335 O O3  . LIG_Q Q 17 .   ? -16.272 8.034   5.299   1.00 9.40  1   Q 1 
HETATM 2336 P P1  . LIG_Q Q 17 .   ? -15.139 9.043   4.941   1.00 17.14 1   Q 1 
HETATM 2337 O O4  . LIG_Q Q 17 .   ? -14.200 9.080   6.017   1.00 15.37 1   Q 1 
HETATM 2338 O O5  . LIG_Q Q 17 .   ? -14.695 8.812   3.606   1.00 13.39 1   Q 1 
HETATM 2339 O O6  . LIG_Q Q 17 .   ? -15.977 10.359  4.956   1.00 11.41 1   Q 1 
HETATM 2340 C C22 . LIG_Q Q 17 .   ? -15.558 11.549  5.350   1.00 11.96 1   Q 1 
HETATM 2341 C C23 . LIG_Q Q 17 .   ? -16.583 12.192  6.146   1.00 14.61 1   Q 1 
HETATM 2342 N N1  . LIG_Q Q 17 .   ? -16.629 13.589  5.995   1.00 15.22 1   Q 1 
HETATM 2343 C C24 . LIG_Q Q 17 .   ? -15.388 14.169  6.287   1.00 11.97 1   Q 1 
HETATM 2344 C C25 . LIG_Q Q 17 .   ? -17.590 14.080  6.897   1.00 11.47 1   Q 1 
HETATM 2345 C C26 . LIG_Q Q 17 .   ? -17.020 13.909  4.676   1.00 12.18 1   Q 1 
HETATM 2346 O O7  . LIG_Q Q 17 .   ? -17.307 4.800   5.916   1.00 9.50  1   Q 1 
HETATM 2347 C C27 . LIG_Q Q 17 .   ? -17.033 4.009   6.885   1.00 10.64 1   Q 1 
HETATM 2348 O O8  . LIG_Q Q 17 .   ? -16.427 4.394   7.840   1.00 10.76 1   Q 1 
HETATM 2349 C C28 . LIG_Q Q 17 .   ? -17.525 2.766   6.782   1.00 7.12  1   Q 1 
HETATM 2350 C C29 . LIG_Q Q 17 .   ? -18.310 2.224   7.504   1.00 7.24  1   Q 1 
HETATM 2351 C C30 . LIG_Q Q 17 .   ? -19.029 1.387   7.838   1.00 6.33  1   Q 1 
HETATM 2352 C C31 . LIG_Q Q 17 .   ? -19.839 0.732   8.324   1.00 5.20  1   Q 1 
HETATM 2353 C C32 . LIG_Q Q 17 .   ? -20.578 -0.048  8.685   1.00 5.84  1   Q 1 
HETATM 2354 C C33 . LIG_Q Q 17 .   ? -21.358 -0.794  9.094   1.00 4.81  1   Q 1 
HETATM 2355 C C34 . LIG_Q Q 17 .   ? -22.067 -1.622  9.481   1.00 4.42  1   Q 1 
HETATM 2356 C C35 . LIG_Q Q 17 .   ? -22.732 -2.456  9.894   1.00 4.04  1   Q 1 
HETATM 2357 C C36 . LIG_Q Q 17 .   ? -23.352 -3.325  10.315  1.00 4.20  1   Q 1 
HETATM 2358 C C37 . LIG_Q Q 17 .   ? -23.940 -4.204  10.762  1.00 3.94  1   Q 1 
HETATM 2359 C C38 . LIG_Q Q 17 .   ? -24.516 -5.086  11.227  1.00 3.37  1   Q 1 
HETATM 2360 C C39 . LIG_Q Q 17 .   ? -25.123 -5.957  11.711  1.00 3.49  1   Q 1 
HETATM 2361 C C40 . LIG_Q Q 17 .   ? -25.739 -6.784  12.209  1.00 3.77  1   Q 1 
HETATM 2362 C C41 . LIG_Q Q 17 .   ? -26.383 -7.592  12.704  1.00 2.98  1   Q 1 
HETATM 2363 C C42 . LIG_Q Q 17 .   ? -27.007 -8.390  13.147  1.00 3.01  1   Q 1 
HETATM 2364 C C43 . LIG_Q Q 17 .   ? -27.601 -9.227  13.551  1.00 2.37  1   Q 1 
HETATM 2365 C C44 . LIG_Q Q 17 .   ? -28.156 -10.222 13.939  1.00 2.87  1   Q 1 
HETATM 2366 C C1  . LIG_R R 18 .   ? -7.274  -26.833 -3.538  1.00 3.89  1   R 1 
HETATM 2367 C C2  . LIG_R R 18 .   ? -7.119  -26.806 -2.549  1.00 4.16  1   R 1 
HETATM 2368 C C3  . LIG_R R 18 .   ? -6.671  -26.090 -1.769  1.00 3.74  1   R 1 
HETATM 2369 C C4  . LIG_R R 18 .   ? -6.118  -25.170 -1.528  1.00 4.34  1   R 1 
HETATM 2370 C C5  . LIG_R R 18 .   ? -5.579  -24.204 -1.378  1.00 3.83  1   R 1 
HETATM 2371 C C6  . LIG_R R 18 .   ? -5.041  -23.195 -1.357  1.00 3.26  1   R 1 
HETATM 2372 C C7  . LIG_R R 18 .   ? -4.525  -22.218 -1.409  1.00 3.63  1   R 1 
HETATM 2373 C C8  . LIG_R R 18 .   ? -3.991  -21.237 -1.545  1.00 3.75  1   R 1 
HETATM 2374 C C9  . LIG_R R 18 .   ? -3.448  -20.278 -1.687  1.00 4.58  1   R 1 
HETATM 2375 C C10 . LIG_R R 18 .   ? -2.881  -19.290 -1.881  1.00 4.72  1   R 1 
HETATM 2376 C C11 . LIG_R R 18 .   ? -2.299  -18.340 -2.054  1.00 4.92  1   R 1 
HETATM 2377 C C12 . LIG_R R 18 .   ? -1.669  -17.397 -2.290  1.00 5.57  1   R 1 
HETATM 2378 C C13 . LIG_R R 18 .   ? -0.996  -16.508 -2.478  1.00 4.47  1   R 1 
HETATM 2379 C C14 . LIG_R R 18 .   ? -0.310  -15.627 -2.790  1.00 5.01  1   R 1 
HETATM 2380 C C15 . LIG_R R 18 .   ? 0.406   -14.806 -2.947  1.00 5.44  1   R 1 
HETATM 2381 C C16 . LIG_R R 18 .   ? 1.142   -13.970 -3.380  1.00 6.38  1   R 1 
HETATM 2382 C C17 . LIG_R R 18 .   ? 1.968   -13.228 -3.269  1.00 6.55  1   R 1 
HETATM 2383 C C18 . LIG_R R 18 .   ? 2.761   -12.431 -3.966  1.00 7.92  1   R 1 
HETATM 2384 O O1  . LIG_R R 18 .   ? 3.505   -11.710 -3.425  1.00 10.62 1   R 1 
HETATM 2385 O O2  . LIG_R R 18 .   ? 2.659   -12.536 -5.215  1.00 8.34  1   R 1 
HETATM 2386 C C19 . LIG_R R 18 .   ? 3.470   -11.758 -5.946  1.00 6.89  1   R 1 
HETATM 2387 C C20 . LIG_R R 18 .   ? 2.983   -11.671 -7.328  1.00 9.25  1   R 1 
HETATM 2388 C C21 . LIG_R R 18 .   ? 3.875   -10.815 -8.130  1.00 7.95  1   R 1 
HETATM 2389 O O3  . LIG_R R 18 .   ? 4.753   -11.612 -8.789  1.00 7.22  1   R 1 
HETATM 2390 P P1  . LIG_R R 18 .   ? 5.849   -10.978 -9.674  1.00 14.61 1   R 1 
HETATM 2391 O O4  . LIG_R R 18 .   ? 6.779   -12.014 -10.012 1.00 9.45  1   R 1 
HETATM 2392 O O5  . LIG_R R 18 .   ? 5.266   -10.205 -10.716 1.00 11.47 1   R 1 
HETATM 2393 O O6  . LIG_R R 18 .   ? 6.512   -9.990  -8.651  1.00 12.17 1   R 1 
HETATM 2394 C C22 . LIG_R R 18 .   ? 7.777   -10.076 -8.253  1.00 13.04 1   R 1 
HETATM 2395 C C23 . LIG_R R 18 .   ? 8.055   -9.099  -7.210  1.00 19.10 1   R 1 
HETATM 2396 N N1  . LIG_R R 18 .   ? 8.004   -9.609  -5.891  1.00 19.08 1   R 1 
HETATM 2397 C C24 . LIG_R R 18 .   ? 6.673   -9.553  -5.414  1.00 15.22 1   R 1 
HETATM 2398 C C25 . LIG_R R 18 .   ? 8.799   -8.803  -5.082  1.00 16.58 1   R 1 
HETATM 2399 C C26 . LIG_R R 18 .   ? 8.477   -10.932 -5.842  1.00 15.20 1   R 1 
HETATM 2400 O O7  . LIG_R R 18 .   ? 1.732   -11.054 -7.329  1.00 10.10 1   R 1 
HETATM 2401 C C27 . LIG_R R 18 .   ? 0.771   -11.722 -7.853  1.00 10.79 1   R 1 
HETATM 2402 O O8  . LIG_R R 18 .   ? 0.986   -12.779 -8.367  1.00 7.93  1   R 1 
HETATM 2403 C C28 . LIG_R R 18 .   ? -0.469  -11.199 -7.710  1.00 8.66  1   R 1 
HETATM 2404 C C29 . LIG_R R 18 .   ? -1.445  -11.916 -7.400  1.00 8.89  1   R 1 
HETATM 2405 C C30 . LIG_R R 18 .   ? -1.923  -12.876 -7.021  1.00 6.86  1   R 1 
HETATM 2406 C C31 . LIG_R R 18 .   ? -2.554  -13.803 -6.715  1.00 6.32  1   R 1 
HETATM 2407 C C32 . LIG_R R 18 .   ? -3.001  -14.796 -6.421  1.00 5.88  1   R 1 
HETATM 2408 C C33 . LIG_R R 18 .   ? -3.476  -15.817 -6.202  1.00 5.13  1   R 1 
HETATM 2409 C C34 . LIG_R R 18 .   ? -3.878  -16.862 -6.016  1.00 4.39  1   R 1 
HETATM 2410 C C35 . LIG_R R 18 .   ? -4.284  -17.927 -5.869  1.00 4.14  1   R 1 
HETATM 2411 C C36 . LIG_R R 18 .   ? -4.678  -19.000 -5.751  1.00 4.26  1   R 1 
HETATM 2412 C C37 . LIG_R R 18 .   ? -5.073  -20.084 -5.654  1.00 3.73  1   R 1 
HETATM 2413 C C38 . LIG_R R 18 .   ? -5.461  -21.174 -5.584  1.00 3.23  1   R 1 
HETATM 2414 C C39 . LIG_R R 18 .   ? -5.854  -22.282 -5.525  1.00 3.34  1   R 1 
HETATM 2415 C C40 . LIG_R R 18 .   ? -6.245  -23.372 -5.467  1.00 3.62  1   R 1 
HETATM 2416 C C41 . LIG_R R 18 .   ? -6.646  -24.466 -5.409  1.00 2.86  1   R 1 
HETATM 2417 C C42 . LIG_R R 18 .   ? -7.044  -25.499 -5.377  1.00 2.83  1   R 1 
HETATM 2418 C C43 . LIG_R R 18 .   ? -7.466  -26.536 -5.419  1.00 2.32  1   R 1 
HETATM 2419 C C44 . LIG_R R 18 .   ? -7.943  -27.653 -5.654  1.00 2.69  1   R 1 
HETATM 2420 C C1  . LIG_S S 19 .   ? -14.449 -13.114 10.182  1.00 4.12  1   S 1 
HETATM 2421 C C2  . LIG_S S 19 .   ? -15.591 -13.306 10.423  1.00 3.95  1   S 1 
HETATM 2422 C C3  . LIG_S S 19 .   ? -16.521 -12.786 9.969   1.00 3.34  1   S 1 
HETATM 2423 C C4  . LIG_S S 19 .   ? -16.864 -11.940 9.306   1.00 4.49  1   S 1 
HETATM 2424 C C5  . LIG_S S 19 .   ? -17.128 -11.047 8.701   1.00 4.08  1   S 1 
HETATM 2425 C C6  . LIG_S S 19 .   ? -17.218 -10.039 8.213   1.00 3.76  1   S 1 
HETATM 2426 C C7  . LIG_S S 19 .   ? -17.257 -9.029  7.828   1.00 4.18  1   S 1 
HETATM 2427 C C8  . LIG_S S 19 .   ? -17.201 -7.956  7.524   1.00 4.38  1   S 1 
HETATM 2428 C C9  . LIG_S S 19 .   ? -17.064 -6.890  7.325   1.00 5.49  1   S 1 
HETATM 2429 C C10 . LIG_S S 19 .   ? -16.858 -5.794  7.106   1.00 6.46  1   S 1 
HETATM 2430 C C11 . LIG_S S 19 .   ? -16.547 -4.757  6.857   1.00 7.10  1   S 1 
HETATM 2431 C C12 . LIG_S S 19 .   ? -16.148 -3.752  6.512   1.00 7.96  1   S 1 
HETATM 2432 C C13 . LIG_S S 19 .   ? -15.631 -2.809  6.183   1.00 6.19  1   S 1 
HETATM 2433 C C14 . LIG_S S 19 .   ? -15.142 -1.876  5.749   1.00 7.21  1   S 1 
HETATM 2434 C C15 . LIG_S S 19 .   ? -14.523 -1.029  5.401   1.00 9.41  1   S 1 
HETATM 2435 C C16 . LIG_S S 19 .   ? -14.083 -0.111  4.839   1.00 10.85 1   S 1 
HETATM 2436 C C17 . LIG_S S 19 .   ? -13.306 0.596   4.481   1.00 12.49 1   S 1 
HETATM 2437 C C18 . LIG_S S 19 .   ? -13.182 1.547   3.595   1.00 14.01 1   S 1 
HETATM 2438 O O1  . LIG_S S 19 .   ? -13.976 2.405   3.508   1.00 15.33 1   S 1 
HETATM 2439 O O2  . LIG_S S 19 .   ? -12.207 1.403   2.838   1.00 16.18 1   S 1 
HETATM 2440 C C19 . LIG_S S 19 .   ? -12.221 2.204   1.781   1.00 14.68 1   S 1 
HETATM 2441 C C20 . LIG_S S 19 .   ? -10.897 2.428   1.255   1.00 18.35 1   S 1 
HETATM 2442 C C21 . LIG_S S 19 .   ? -11.025 3.142   -0.036  1.00 16.63 1   S 1 
HETATM 2443 O O3  . LIG_S S 19 .   ? -9.865  3.811   -0.254  1.00 18.99 1   S 1 
HETATM 2444 P P1  . LIG_S S 19 .   ? -9.655  4.632   -1.542  1.00 30.01 1   S 1 
HETATM 2445 O O4  . LIG_S S 19 .   ? -9.806  3.775   -2.671  1.00 21.71 1   S 1 
HETATM 2446 O O5  . LIG_S S 19 .   ? -8.431  5.379   -1.400  1.00 22.70 1   S 1 
HETATM 2447 O O6  . LIG_S S 19 .   ? -10.850 5.612   -1.463  1.00 20.24 1   S 1 
HETATM 2448 C C22 . LIG_S S 19 .   ? -10.986 6.634   -2.290  1.00 20.62 1   S 1 
HETATM 2449 C C23 . LIG_S S 19 .   ? -11.676 7.711   -1.631  1.00 26.33 1   S 1 
HETATM 2450 N N1  . LIG_S S 19 .   ? -11.547 8.956   -2.256  1.00 22.62 1   S 1 
HETATM 2451 C C24 . LIG_S S 19 .   ? -10.200 9.224   -2.595  1.00 20.17 1   S 1 
HETATM 2452 C C25 . LIG_S S 19 .   ? -12.364 9.010   -3.391  1.00 19.31 1   S 1 
HETATM 2453 C C26 . LIG_S S 19 .   ? -11.978 9.918   -1.329  1.00 19.79 1   S 1 
HETATM 2454 O O7  . LIG_S S 19 .   ? -10.251 1.228   1.032   1.00 19.26 1   S 1 
HETATM 2455 C C27 . LIG_S S 19 .   ? -9.083  1.120   1.552   1.00 21.81 1   S 1 
HETATM 2456 O O8  . LIG_S S 19 .   ? -8.680  1.914   2.349   1.00 19.27 1   S 1 
HETATM 2457 C C28 . LIG_S S 19 .   ? -8.356  0.079   1.198   1.00 17.43 1   S 1 
HETATM 2458 C C29 . LIG_S S 19 .   ? -8.260  -1.007  1.469   1.00 18.87 1   S 1 
HETATM 2459 C C30 . LIG_S S 19 .   ? -7.735  -2.031  1.403   1.00 16.38 1   S 1 
HETATM 2460 C C31 . LIG_S S 19 .   ? -7.666  -3.125  1.700   1.00 14.85 1   S 1 
HETATM 2461 C C32 . LIG_S S 19 .   ? -7.909  -4.069  2.178   1.00 13.39 1   S 1 
HETATM 2462 C C33 . LIG_S S 19 .   ? -8.235  -4.997  2.703   1.00 10.42 1   S 1 
HETATM 2463 C C34 . LIG_S S 19 .   ? -8.609  -5.895  3.263   1.00 9.94  1   S 1 
HETATM 2464 C C35 . LIG_S S 19 .   ? -8.989  -6.778  3.831   1.00 8.43  1   S 1 
HETATM 2465 C C36 . LIG_S S 19 .   ? -9.409  -7.640  4.429   1.00 9.23  1   S 1 
HETATM 2466 C C37 . LIG_S S 19 .   ? -9.829  -8.484  5.067   1.00 8.46  1   S 1 
HETATM 2467 C C38 . LIG_S S 19 .   ? -10.263 -9.308  5.744   1.00 5.95  1   S 1 
HETATM 2468 C C39 . LIG_S S 19 .   ? -10.719 -10.103 6.470   1.00 5.60  1   S 1 
HETATM 2469 C C40 . LIG_S S 19 .   ? -11.168 -10.858 7.243   1.00 5.19  1   S 1 
HETATM 2470 C C41 . LIG_S S 19 .   ? -11.611 -11.602 8.037   1.00 3.71  1   S 1 
HETATM 2471 C C42 . LIG_S S 19 .   ? -11.968 -12.297 8.832   1.00 3.39  1   S 1 
HETATM 2472 C C43 . LIG_S S 19 .   ? -12.268 -12.976 9.647   1.00 2.39  1   S 1 
HETATM 2473 C C44 . LIG_S S 19 .   ? -12.363 -13.770 10.605  1.00 2.80  1   S 1 
HETATM 2474 C C1  . LIG_T T 20 .   ? -27.271 -16.234 7.095   1.00 3.61  1   T 1 
HETATM 2475 C C2  . LIG_T T 20 .   ? -26.613 -16.626 6.372   1.00 4.08  1   T 1 
HETATM 2476 C C3  . LIG_T T 20 .   ? -25.933 -16.298 5.487   1.00 3.55  1   T 1 
HETATM 2477 C C4  . LIG_T T 20 .   ? -25.462 -15.592 4.765   1.00 4.25  1   T 1 
HETATM 2478 C C5  . LIG_T T 20 .   ? -25.015 -14.836 4.058   1.00 3.68  1   T 1 
HETATM 2479 C C6  . LIG_T T 20 .   ? -24.631 -13.996 3.385   1.00 3.14  1   T 1 
HETATM 2480 C C7  . LIG_T T 20 .   ? -24.276 -13.160 2.741   1.00 3.30  1   T 1 
HETATM 2481 C C8  . LIG_T T 20 .   ? -23.956 -12.270 2.111   1.00 3.34  1   T 1 
HETATM 2482 C C9  . LIG_T T 20 .   ? -23.627 -11.388 1.496   1.00 3.80  1   T 1 
HETATM 2483 C C10 . LIG_T T 20 .   ? -23.304 -10.471 0.850   1.00 4.04  1   T 1 
HETATM 2484 C C11 . LIG_T T 20 .   ? -22.988 -9.594  0.203   1.00 3.93  1   T 1 
HETATM 2485 C C12 . LIG_T T 20 .   ? -22.685 -8.665  -0.427  1.00 4.44  1   T 1 
HETATM 2486 C C13 . LIG_T T 20 .   ? -22.430 -7.791  -1.101  1.00 3.44  1   T 1 
HETATM 2487 C C14 . LIG_T T 20 .   ? -22.191 -6.837  -1.728  1.00 3.57  1   T 1 
HETATM 2488 C C15 . LIG_T T 20 .   ? -21.991 -6.037  -2.481  1.00 3.65  1   T 1 
HETATM 2489 C C16 . LIG_T T 20 .   ? -21.828 -5.020  -3.093  1.00 3.75  1   T 1 
HETATM 2490 C C17 . LIG_T T 20 .   ? -21.723 -4.437  -4.081  1.00 3.03  1   T 1 
HETATM 2491 C C18 . LIG_T T 20 .   ? -21.666 -3.183  -4.518  1.00 3.32  1   T 1 
HETATM 2492 O O1  . LIG_T T 20 .   ? -22.439 -2.777  -5.290  1.00 4.19  1   T 1 
HETATM 2493 O O2  . LIG_T T 20 .   ? -20.749 -2.445  -4.011  1.00 4.29  1   T 1 
HETATM 2494 C C19 . LIG_T T 20 .   ? -20.777 -1.148  -4.351  1.00 3.04  1   T 1 
HETATM 2495 C C20 . LIG_T T 20 .   ? -21.286 -0.289  -3.263  1.00 4.51  1   T 1 
HETATM 2496 C C21 . LIG_T T 20 .   ? -21.044 1.138   -3.570  1.00 3.19  1   T 1 
HETATM 2497 O O3  . LIG_T T 20 .   ? -21.781 1.435   -4.695  1.00 2.61  1   T 1 
HETATM 2498 P P1  . LIG_T T 20 .   ? -21.993 2.875   -5.217  1.00 3.67  1   T 1 
HETATM 2499 O O4  . LIG_T T 20 .   ? -20.877 3.702   -4.893  1.00 3.48  1   T 1 
HETATM 2500 O O5  . LIG_T T 20 .   ? -22.416 2.801   -6.576  1.00 2.58  1   T 1 
HETATM 2501 O O6  . LIG_T T 20 .   ? -23.172 3.291   -4.307  1.00 2.94  1   T 1 
HETATM 2502 C C22 . LIG_T T 20 .   ? -24.064 4.175   -4.659  1.00 2.36  1   T 1 
HETATM 2503 C C23 . LIG_T T 20 .   ? -25.167 4.167   -3.730  1.00 2.89  1   T 1 
HETATM 2504 N N1  . LIG_T T 20 .   ? -26.435 4.102   -4.325  1.00 4.93  1   T 1 
HETATM 2505 C C24 . LIG_T T 20 .   ? -27.351 3.705   -3.353  1.00 1.92  1   T 1 
HETATM 2506 C C25 . LIG_T T 20 .   ? -26.783 5.361   -4.827  1.00 2.33  1   T 1 
HETATM 2507 C C26 . LIG_T T 20 .   ? -26.431 3.143   -5.364  1.00 2.15  1   T 1 
HETATM 2508 O O7  . LIG_T T 20 .   ? -20.604 -0.631  -2.084  1.00 4.63  1   T 1 
HETATM 2509 C C27 . LIG_T T 20 .   ? -21.391 -0.844  -1.097  1.00 5.13  1   T 1 
HETATM 2510 O O8  . LIG_T T 20 .   ? -22.450 -0.291  -1.052  1.00 4.29  1   T 1 
HETATM 2511 C C28 . LIG_T T 20 .   ? -21.002 -1.748  -0.192  1.00 3.69  1   T 1 
HETATM 2512 C C29 . LIG_T T 20 .   ? -21.702 -2.469  0.468   1.00 4.29  1   T 1 
HETATM 2513 C C30 . LIG_T T 20 .   ? -22.026 -3.341  1.135   1.00 3.97  1   T 1 
HETATM 2514 C C31 . LIG_T T 20 .   ? -22.587 -4.164  1.711   1.00 3.88  1   T 1 
HETATM 2515 C C32 . LIG_T T 20 .   ? -23.070 -5.008  2.284   1.00 4.31  1   T 1 
HETATM 2516 C C33 . LIG_T T 20 .   ? -23.634 -5.846  2.829   1.00 3.80  1   T 1 
HETATM 2517 C C34 . LIG_T T 20 .   ? -24.161 -6.698  3.368   1.00 3.40  1   T 1 
HETATM 2518 C C35 . LIG_T T 20 .   ? -24.686 -7.560  3.901   1.00 3.16  1   T 1 
HETATM 2519 C C36 . LIG_T T 20 .   ? -25.184 -8.447  4.412   1.00 3.18  1   T 1 
HETATM 2520 C C37 . LIG_T T 20 .   ? -25.658 -9.349  4.933   1.00 3.16  1   T 1 
HETATM 2521 C C38 . LIG_T T 20 .   ? -26.113 -10.253 5.471   1.00 2.78  1   T 1 
HETATM 2522 C C39 . LIG_T T 20 .   ? -26.560 -11.180 6.016   1.00 2.99  1   T 1 
HETATM 2523 C C40 . LIG_T T 20 .   ? -26.984 -12.103 6.561   1.00 3.25  1   T 1 
HETATM 2524 C C41 . LIG_T T 20 .   ? -27.385 -13.045 7.113   1.00 2.74  1   T 1 
HETATM 2525 C C42 . LIG_T T 20 .   ? -27.765 -13.939 7.656   1.00 2.60  1   T 1 
HETATM 2526 C C43 . LIG_T T 20 .   ? -28.160 -14.817 8.234   1.00 2.11  1   T 1 
HETATM 2527 C C44 . LIG_T T 20 .   ? -28.668 -15.689 8.954   1.00 2.36  1   T 1 
HETATM 2528 C C1  . LIG_U U 21 .   ? -13.796 -17.147 5.002   1.00 4.31  1   U 1 
HETATM 2529 C C2  . LIG_U U 21 .   ? -14.663 -17.613 4.434   1.00 3.89  1   U 1 
HETATM 2530 C C3  . LIG_U U 21 .   ? -15.155 -17.360 3.395   1.00 3.16  1   U 1 
HETATM 2531 C C4  . LIG_U U 21 .   ? -15.132 -16.647 2.516   1.00 4.20  1   U 1 
HETATM 2532 C C5  . LIG_U U 21 .   ? -15.008 -15.892 1.702   1.00 3.76  1   U 1 
HETATM 2533 C C6  . LIG_U U 21 .   ? -14.788 -15.059 0.971   1.00 3.44  1   U 1 
HETATM 2534 C C7  . LIG_U U 21 .   ? -14.551 -14.215 0.302   1.00 3.92  1   U 1 
HETATM 2535 C C8  . LIG_U U 21 .   ? -14.309 -13.332 -0.347  1.00 4.31  1   U 1 
HETATM 2536 C C9  . LIG_U U 21 .   ? -14.072 -12.434 -0.957  1.00 5.79  1   U 1 
HETATM 2537 C C10 . LIG_U U 21 .   ? -13.848 -11.487 -1.587  1.00 6.88  1   U 1 
HETATM 2538 C C11 . LIG_U U 21 .   ? -13.650 -10.552 -2.194  1.00 7.26  1   U 1 
HETATM 2539 C C12 . LIG_U U 21 .   ? -13.434 -9.626  -2.843  1.00 7.84  1   U 1 
HETATM 2540 C C13 . LIG_U U 21 .   ? -13.275 -8.673  -3.458  1.00 6.42  1   U 1 
HETATM 2541 C C14 . LIG_U U 21 .   ? -13.071 -7.773  -4.163  1.00 6.97  1   U 1 
HETATM 2542 C C15 . LIG_U U 21 .   ? -12.976 -6.815  -4.761  1.00 8.65  1   U 1 
HETATM 2543 C C16 . LIG_U U 21 .   ? -12.771 -5.989  -5.585  1.00 9.79  1   U 1 
HETATM 2544 C C17 . LIG_U U 21 .   ? -12.753 -4.926  -6.052  1.00 10.65 1   U 1 
HETATM 2545 C C18 . LIG_U U 21 .   ? -12.368 -4.386  -7.209  1.00 12.75 1   U 1 
HETATM 2546 O O1  . LIG_U U 21 .   ? -12.435 -4.976  -8.219  1.00 12.96 1   U 1 
HETATM 2547 O O2  . LIG_U U 21 .   ? -11.885 -3.204  -7.128  1.00 12.80 1   U 1 
HETATM 2548 C C19 . LIG_U U 21 .   ? -11.290 -2.776  -8.252  1.00 13.08 1   U 1 
HETATM 2549 C C20 . LIG_U U 21 .   ? -9.895  -2.391  -7.995  1.00 17.07 1   U 1 
HETATM 2550 C C21 . LIG_U U 21 .   ? -9.421  -1.584  -9.131  1.00 15.37 1   U 1 
HETATM 2551 O O3  . LIG_U U 21 .   ? -8.486  -0.734  -8.666  1.00 18.17 1   U 1 
HETATM 2552 P P1  . LIG_U U 21 .   ? -8.642  0.790   -8.797  1.00 28.19 1   U 1 
HETATM 2553 O O4  . LIG_U U 21 .   ? -7.547  1.377   -8.059  1.00 21.23 1   U 1 
HETATM 2554 O O5  . LIG_U U 21 .   ? -9.950  1.226   -8.577  1.00 21.64 1   U 1 
HETATM 2555 O O6  . LIG_U U 21 .   ? -8.286  0.875   -10.333 1.00 19.05 1   U 1 
HETATM 2556 C C22 . LIG_U U 21 .   ? -8.600  1.897   -11.080 1.00 20.67 1   U 1 
HETATM 2557 C C23 . LIG_U U 21 .   ? -7.814  1.856   -12.286 1.00 24.57 1   U 1 
HETATM 2558 N N1  . LIG_U U 21 .   ? -8.137  2.868   -13.196 1.00 19.93 1   U 1 
HETATM 2559 C C24 . LIG_U U 21 .   ? -7.957  4.132   -12.603 1.00 17.42 1   U 1 
HETATM 2560 C C25 . LIG_U U 21 .   ? -7.249  2.735   -14.287 1.00 17.80 1   U 1 
HETATM 2561 C C26 . LIG_U U 21 .   ? -9.466  2.695   -13.632 1.00 17.24 1   U 1 
HETATM 2562 O O7  . LIG_U U 21 .   ? -9.089  -3.543  -7.868  1.00 16.63 1   U 1 
HETATM 2563 C C27 . LIG_U U 21 .   ? -8.390  -3.651  -6.788  1.00 20.45 1   U 1 
HETATM 2564 O O8  . LIG_U U 21 .   ? -8.160  -2.692  -6.108  1.00 18.71 1   U 1 
HETATM 2565 C C28 . LIG_U U 21 .   ? -8.006  -4.912  -6.440  1.00 16.25 1   U 1 
HETATM 2566 C C29 . LIG_U U 21 .   ? -8.094  -5.445  -5.334  1.00 17.85 1   U 1 
HETATM 2567 C C30 . LIG_U U 21 .   ? -8.010  -6.330  -4.572  1.00 15.54 1   U 1 
HETATM 2568 C C31 . LIG_U U 21 .   ? -8.078  -7.011  -3.632  1.00 13.23 1   U 1 
HETATM 2569 C C32 . LIG_U U 21 .   ? -8.094  -7.796  -2.788  1.00 12.78 1   U 1 
HETATM 2570 C C33 . LIG_U U 21 .   ? -8.228  -8.515  -1.886  1.00 10.13 1   U 1 
HETATM 2571 C C34 . LIG_U U 21 .   ? -8.378  -9.271  -1.019  1.00 9.47  1   U 1 
HETATM 2572 C C35 . LIG_U U 21 .   ? -8.610  -10.011 -0.153  1.00 7.55  1   U 1 
HETATM 2573 C C36 . LIG_U U 21 .   ? -8.896  -10.763 0.680   1.00 7.90  1   U 1 
HETATM 2574 C C37 . LIG_U U 21 .   ? -9.237  -11.533 1.503   1.00 7.33  1   U 1 
HETATM 2575 C C38 . LIG_U U 21 .   ? -9.624  -12.308 2.288   1.00 5.01  1   U 1 
HETATM 2576 C C39 . LIG_U U 21 .   ? -10.064 -13.105 3.064   1.00 4.76  1   U 1 
HETATM 2577 C C40 . LIG_U U 21 .   ? -10.544 -13.887 3.805   1.00 4.57  1   U 1 
HETATM 2578 C C41 . LIG_U U 21 .   ? -11.076 -14.659 4.530   1.00 3.57  1   U 1 
HETATM 2579 C C42 . LIG_U U 21 .   ? -11.595 -15.366 5.229   1.00 3.16  1   U 1 
HETATM 2580 C C43 . LIG_U U 21 .   ? -12.104 -16.027 5.975   1.00 2.31  1   U 1 
HETATM 2581 C C44 . LIG_U U 21 .   ? -12.585 -16.683 6.911   1.00 2.60  1   U 1 
HETATM 2582 C C1  . LIG_V V 22 .   ? -18.558 -22.277 -0.568  1.00 3.78  1   V 1 
HETATM 2583 C C2  . LIG_V V 22 .   ? -18.367 -23.208 -1.288  1.00 4.38  1   V 1 
HETATM 2584 C C3  . LIG_V V 22 .   ? -18.019 -23.478 -2.408  1.00 3.74  1   V 1 
HETATM 2585 C C4  . LIG_V V 22 .   ? -17.676 -23.065 -3.432  1.00 4.39  1   V 1 
HETATM 2586 C C5  . LIG_V V 22 .   ? -17.361 -22.515 -4.371  1.00 3.88  1   V 1 
HETATM 2587 C C6  . LIG_V V 22 .   ? -17.090 -21.745 -5.174  1.00 3.43  1   V 1 
HETATM 2588 C C7  . LIG_V V 22 .   ? -16.857 -20.889 -5.826  1.00 3.35  1   V 1 
HETATM 2589 C C8  . LIG_V V 22 .   ? -16.645 -19.942 -6.389  1.00 3.42  1   V 1 
HETATM 2590 C C9  . LIG_V V 22 .   ? -16.429 -18.978 -6.879  1.00 3.78  1   V 1 
HETATM 2591 C C10 . LIG_V V 22 .   ? -16.174 -17.956 -7.347  1.00 4.21  1   V 1 
HETATM 2592 C C11 . LIG_V V 22 .   ? -15.925 -16.953 -7.783  1.00 4.09  1   V 1 
HETATM 2593 C C12 . LIG_V V 22 .   ? -15.626 -15.934 -8.228  1.00 4.52  1   V 1 
HETATM 2594 C C13 . LIG_V V 22 .   ? -15.344 -14.951 -8.710  1.00 3.54  1   V 1 
HETATM 2595 C C14 . LIG_V V 22 .   ? -14.978 -13.980 -9.226  1.00 3.70  1   V 1 
HETATM 2596 C C15 . LIG_V V 22 .   ? -14.696 -13.082 -9.805  1.00 3.71  1   V 1 
HETATM 2597 C C16 . LIG_V V 22 .   ? -14.236 -12.186 -10.417 1.00 4.06  1   V 1 
HETATM 2598 C C17 . LIG_V V 22 .   ? -14.155 -11.339 -11.109 1.00 3.73  1   V 1 
HETATM 2599 C C18 . LIG_V V 22 .   ? -13.443 -10.424 -11.702 1.00 4.66  1   V 1 
HETATM 2600 O O1  . LIG_V V 22 .   ? -12.354 -10.606 -12.067 1.00 5.59  1   V 1 
HETATM 2601 O O2  . LIG_V V 22 .   ? -14.058 -9.331  -11.805 1.00 4.91  1   V 1 
HETATM 2602 C C19 . LIG_V V 22 .   ? -13.336 -8.276  -12.183 1.00 4.18  1   V 1 
HETATM 2603 C C20 . LIG_V V 22 .   ? -13.980 -7.062  -11.682 1.00 6.85  1   V 1 
HETATM 2604 C C21 . LIG_V V 22 .   ? -13.199 -5.902  -12.106 1.00 5.28  1   V 1 
HETATM 2605 O O3  . LIG_V V 22 .   ? -14.026 -5.169  -12.896 1.00 4.46  1   V 1 
HETATM 2606 P P1  . LIG_V V 22 .   ? -13.493 -4.390  -14.082 1.00 7.02  1   V 1 
HETATM 2607 O O4  . LIG_V V 22 .   ? -14.524 -3.469  -14.493 1.00 5.26  1   V 1 
HETATM 2608 O O5  . LIG_V V 22 .   ? -12.858 -5.225  -15.017 1.00 5.56  1   V 1 
HETATM 2609 O O6  . LIG_V V 22 .   ? -12.407 -3.557  -13.303 1.00 6.91  1   V 1 
HETATM 2610 C C22 . LIG_V V 22 .   ? -11.643 -2.678  -13.877 1.00 5.52  1   V 1 
HETATM 2611 C C23 . LIG_V V 22 .   ? -10.489 -2.490  -13.040 1.00 9.53  1   V 1 
HETATM 2612 N N1  . LIG_V V 22 .   ? -9.425  -1.938  -13.728 1.00 11.21 1   V 1 
HETATM 2613 C C24 . LIG_V V 22 .   ? -9.761  -0.651  -14.194 1.00 7.33  1   V 1 
HETATM 2614 C C25 . LIG_V V 22 .   ? -9.077  -2.799  -14.805 1.00 7.38  1   V 1 
HETATM 2615 C C26 . LIG_V V 22 .   ? -8.357  -1.863  -12.826 1.00 8.60  1   V 1 
HETATM 2616 O O7  . LIG_V V 22 .   ? -14.006 -7.091  -10.288 1.00 7.60  1   V 1 
HETATM 2617 C C27 . LIG_V V 22 .   ? -15.188 -7.111  -9.759  1.00 7.45  1   V 1 
HETATM 2618 O O8  . LIG_V V 22 .   ? -16.157 -6.917  -10.415 1.00 5.58  1   V 1 
HETATM 2619 C C28 . LIG_V V 22 .   ? -15.220 -7.448  -8.462  1.00 5.24  1   V 1 
HETATM 2620 C C29 . LIG_V V 22 .   ? -15.775 -8.389  -7.955  1.00 5.58  1   V 1 
HETATM 2621 C C30 . LIG_V V 22 .   ? -16.028 -9.120  -7.088  1.00 4.85  1   V 1 
HETATM 2622 C C31 . LIG_V V 22 .   ? -16.388 -9.990  -6.436  1.00 4.27  1   V 1 
HETATM 2623 C C32 . LIG_V V 22 .   ? -16.669 -10.790 -5.678  1.00 4.51  1   V 1 
HETATM 2624 C C33 . LIG_V V 22 .   ? -16.988 -11.652 -4.990  1.00 3.90  1   V 1 
HETATM 2625 C C34 . LIG_V V 22 .   ? -17.275 -12.496 -4.262  1.00 3.46  1   V 1 
HETATM 2626 C C35 . LIG_V V 22 .   ? -17.558 -13.360 -3.575  1.00 3.29  1   V 1 
HETATM 2627 C C36 . LIG_V V 22 .   ? -17.844 -14.238 -2.895  1.00 3.27  1   V 1 
HETATM 2628 C C37 . LIG_V V 22 .   ? -18.135 -15.130 -2.233  1.00 3.03  1   V 1 
HETATM 2629 C C38 . LIG_V V 22 .   ? -18.423 -16.025 -1.564  1.00 2.64  1   V 1 
HETATM 2630 C C39 . LIG_V V 22 .   ? -18.681 -16.954 -0.906  1.00 2.82  1   V 1 
HETATM 2631 C C40 . LIG_V V 22 .   ? -18.881 -17.900 -0.284  1.00 3.04  1   V 1 
HETATM 2632 C C41 . LIG_V V 22 .   ? -19.030 -18.886 0.309   1.00 2.53  1   V 1 
HETATM 2633 C C42 . LIG_V V 22 .   ? -19.147 -19.824 0.881   1.00 2.57  1   V 1 
HETATM 2634 C C43 . LIG_V V 22 .   ? -19.287 -20.732 1.500   1.00 2.13  1   V 1 
HETATM 2635 C C44 . LIG_V V 22 .   ? -19.468 -21.627 2.287   1.00 2.38  1   V 1 
HETATM 2636 C C1  . LIG_W W 23 .   ? -16.855 -11.681 25.591  1.00 3.91  1   W 1 
HETATM 2637 C C2  . LIG_W W 23 .   ? -17.111 -10.979 24.871  1.00 4.96  1   W 1 
HETATM 2638 C C3  . LIG_W W 23 .   ? -16.953 -9.938  24.368  1.00 4.41  1   W 1 
HETATM 2639 C C4  . LIG_W W 23 .   ? -16.642 -8.947  23.982  1.00 5.29  1   W 1 
HETATM 2640 C C5  . LIG_W W 23 .   ? -16.290 -7.937  23.610  1.00 4.87  1   W 1 
HETATM 2641 C C6  . LIG_W W 23 .   ? -15.869 -6.921  23.305  1.00 4.55  1   W 1 
HETATM 2642 C C7  . LIG_W W 23 .   ? -15.433 -5.934  23.045  1.00 4.76  1   W 1 
HETATM 2643 C C8  . LIG_W W 23 .   ? -14.946 -4.941  22.836  1.00 4.71  1   W 1 
HETATM 2644 C C9  . LIG_W W 23 .   ? -14.428 -3.967  22.660  1.00 5.43  1   W 1 
HETATM 2645 C C10 . LIG_W W 23 .   ? -13.888 -2.960  22.493  1.00 5.90  1   W 1 
HETATM 2646 C C11 . LIG_W W 23 .   ? -13.376 -1.967  22.327  1.00 6.01  1   W 1 
HETATM 2647 C C12 . LIG_W W 23 .   ? -12.810 -0.974  22.189  1.00 6.36  1   W 1 
HETATM 2648 C C13 . LIG_W W 23 .   ? -12.287 0.022   22.064  1.00 5.37  1   W 1 
HETATM 2649 C C14 . LIG_W W 23 .   ? -11.652 0.968   21.981  1.00 5.80  1   W 1 
HETATM 2650 C C15 . LIG_W W 23 .   ? -11.099 1.944   21.914  1.00 6.40  1   W 1 
HETATM 2651 C C16 . LIG_W W 23 .   ? -10.259 2.772   21.890  1.00 6.88  1   W 1 
HETATM 2652 C C17 . LIG_W W 23 .   ? -9.806  3.816   21.797  1.00 6.45  1   W 1 
HETATM 2653 C C18 . LIG_W W 23 .   ? -8.611  4.392   21.816  1.00 6.89  1   W 1 
HETATM 2654 O O1  . LIG_W W 23 .   ? -8.364  5.292   21.112  1.00 10.25 1   W 1 
HETATM 2655 O O2  . LIG_W W 23 .   ? -7.797  3.865   22.620  1.00 8.43  1   W 1 
HETATM 2656 C C19 . LIG_W W 23 .   ? -6.538  4.350   22.642  1.00 6.39  1   W 1 
HETATM 2657 C C20 . LIG_W W 23 .   ? -5.734  3.618   23.625  1.00 7.24  1   W 1 
HETATM 2658 C C21 . LIG_W W 23 .   ? -4.321  4.015   23.550  1.00 6.07  1   W 1 
HETATM 2659 O O3  . LIG_W W 23 .   ? -4.246  5.341   23.680  1.00 5.69  1   W 1 
HETATM 2660 P P1  . LIG_W W 23 .   ? -2.870  6.017   23.944  1.00 8.02  1   W 1 
HETATM 2661 O O4  . LIG_W W 23 .   ? -2.563  5.912   25.344  1.00 6.35  1   W 1 
HETATM 2662 O O5  . LIG_W W 23 .   ? -1.901  5.561   23.003  1.00 6.52  1   W 1 
HETATM 2663 O O6  . LIG_W W 23 .   ? -3.251  7.474   23.577  1.00 6.29  1   W 1 
HETATM 2664 C C22 . LIG_W W 23 .   ? -3.474  8.409   24.476  1.00 6.46  1   W 1 
HETATM 2665 C C23 . LIG_W W 23 .   ? -4.909  8.616   24.646  1.00 7.92  1   W 1 
HETATM 2666 N N1  . LIG_W W 23 .   ? -5.233  9.332   25.827  1.00 9.19  1   W 1 
HETATM 2667 C C24 . LIG_W W 23 .   ? -4.942  8.517   26.959  1.00 5.40  1   W 1 
HETATM 2668 C C25 . LIG_W W 23 .   ? -6.589  9.644   25.794  1.00 6.24  1   W 1 
HETATM 2669 C C26 . LIG_W W 23 .   ? -4.484  10.522  25.896  1.00 5.97  1   W 1 
HETATM 2670 O O7  . LIG_W W 23 .   ? -5.755  2.269   23.304  1.00 8.19  1   W 1 
HETATM 2671 C C27 . LIG_W W 23 .   ? -6.154  1.501   24.227  1.00 6.94  1   W 1 
HETATM 2672 O O8  . LIG_W W 23 .   ? -6.419  1.930   25.310  1.00 6.60  1   W 1 
HETATM 2673 C C28 . LIG_W W 23 .   ? -6.300  0.235   23.883  1.00 6.07  1   W 1 
HETATM 2674 C C29 . LIG_W W 23 .   ? -7.033  -0.561  24.278  1.00 6.32  1   W 1 
HETATM 2675 C C30 . LIG_W W 23 .   ? -7.558  -1.555  24.369  1.00 5.91  1   W 1 
HETATM 2676 C C31 . LIG_W W 23 .   ? -8.184  -2.463  24.595  1.00 5.23  1   W 1 
HETATM 2677 C C32 . LIG_W W 23 .   ? -8.769  -3.395  24.780  1.00 5.57  1   W 1 
HETATM 2678 C C33 . LIG_W W 23 .   ? -9.419  -4.292  25.022  1.00 4.98  1   W 1 
HETATM 2679 C C34 . LIG_W W 23 .   ? -10.073 -5.182  25.259  1.00 4.43  1   W 1 
HETATM 2680 C C35 . LIG_W W 23 .   ? -10.744 -6.048  25.511  1.00 4.33  1   W 1 
HETATM 2681 C C36 . LIG_W W 23 .   ? -11.409 -6.916  25.778  1.00 4.72  1   W 1 
HETATM 2682 C C37 . LIG_W W 23 .   ? -12.067 -7.792  26.063  1.00 4.25  1   W 1 
HETATM 2683 C C38 . LIG_W W 23 .   ? -12.706 -8.684  26.337  1.00 3.50  1   W 1 
HETATM 2684 C C39 . LIG_W W 23 .   ? -13.347 -9.590  26.575  1.00 3.90  1   W 1 
HETATM 2685 C C40 . LIG_W W 23 .   ? -13.994 -10.494 26.770  1.00 3.87  1   W 1 
HETATM 2686 C C41 . LIG_W W 23 .   ? -14.663 -11.405 26.914  1.00 2.95  1   W 1 
HETATM 2687 C C42 . LIG_W W 23 .   ? -15.314 -12.285 26.999  1.00 2.73  1   W 1 
HETATM 2688 C C43 . LIG_W W 23 .   ? -15.945 -13.172 27.073  1.00 2.26  1   W 1 
HETATM 2689 C C44 . LIG_W W 23 .   ? -16.576 -14.169 27.175  1.00 2.64  1   W 1 
HETATM 2690 C C1  . LIG_X X 24 .   ? -7.740  -21.316 1.910   1.00 4.07  1   X 1 
HETATM 2691 C C2  . LIG_X X 24 .   ? -7.382  -20.358 2.046   1.00 4.12  1   X 1 
HETATM 2692 C C3  . LIG_X X 24 .   ? -7.080  -19.290 1.753   1.00 3.43  1   X 1 
HETATM 2693 C C4  . LIG_X X 24 .   ? -6.830  -18.285 1.371   1.00 4.51  1   X 1 
HETATM 2694 C C5  . LIG_X X 24 .   ? -6.590  -17.274 0.944   1.00 4.24  1   X 1 
HETATM 2695 C C6  . LIG_X X 24 .   ? -6.349  -16.275 0.470   1.00 4.00  1   X 1 
HETATM 2696 C C7  . LIG_X X 24 .   ? -6.072  -15.305 0.012   1.00 4.57  1   X 1 
HETATM 2697 C C8  . LIG_X X 24 .   ? -5.767  -14.347 -0.489  1.00 4.82  1   X 1 
HETATM 2698 C C9  . LIG_X X 24 .   ? -5.408  -13.425 -0.987  1.00 7.05  1   X 1 
HETATM 2699 C C10 . LIG_X X 24 .   ? -5.053  -12.509 -1.601  1.00 8.76  1   X 1 
HETATM 2700 C C11 . LIG_X X 24 .   ? -4.667  -11.656 -2.240  1.00 8.80  1   X 1 
HETATM 2701 C C12 . LIG_X X 24 .   ? -4.339  -10.862 -3.018  1.00 9.46  1   X 1 
HETATM 2702 C C13 . LIG_X X 24 .   ? -3.915  -10.072 -3.732  1.00 8.71  1   X 1 
HETATM 2703 C C14 . LIG_X X 24 .   ? -3.653  -9.391  -4.638  1.00 10.27 1   X 1 
HETATM 2704 C C15 . LIG_X X 24 .   ? -3.196  -8.640  -5.362  1.00 11.09 1   X 1 
HETATM 2705 C C16 . LIG_X X 24 .   ? -3.058  -8.047  -6.414  1.00 11.14 1   X 1 
HETATM 2706 C C17 . LIG_X X 24 .   ? -2.509  -7.239  -7.056  1.00 12.29 1   X 1 
HETATM 2707 C C18 . LIG_X X 24 .   ? -2.595  -6.773  -8.314  1.00 11.21 1   X 1 
HETATM 2708 O O1  . LIG_X X 24 .   ? -1.919  -5.895  -8.688  1.00 14.01 1   X 1 
HETATM 2709 O O2  . LIG_X X 24 .   ? -3.474  -7.333  -9.031  1.00 11.26 1   X 1 
HETATM 2710 C C19 . LIG_X X 24 .   ? -3.393  -7.148  -10.368 1.00 8.55  1   X 1 
HETATM 2711 C C20 . LIG_X X 24 .   ? -3.592  -8.434  -11.039 1.00 10.50 1   X 1 
HETATM 2712 C C21 . LIG_X X 24 .   ? -3.619  -8.281  -12.501 1.00 8.28  1   X 1 
HETATM 2713 O O3  . LIG_X X 24 .   ? -2.326  -8.117  -12.900 1.00 9.24  1   X 1 
HETATM 2714 P P1  . LIG_X X 24 .   ? -1.795  -8.753  -14.217 1.00 12.25 1   X 1 
HETATM 2715 O O4  . LIG_X X 24 .   ? -0.378  -8.504  -14.257 1.00 9.36  1   X 1 
HETATM 2716 O O5  . LIG_X X 24 .   ? -2.253  -10.059 -14.412 1.00 8.94  1   X 1 
HETATM 2717 O O6  . LIG_X X 24 .   ? -2.524  -7.802  -15.247 1.00 9.32  1   X 1 
HETATM 2718 C C22 . LIG_X X 24 .   ? -1.871  -7.081  -16.158 1.00 8.68  1   X 1 
HETATM 2719 C C23 . LIG_X X 24 .   ? -2.701  -6.005  -16.641 1.00 11.49 1   X 1 
HETATM 2720 N N1  . LIG_X X 24 .   ? -2.579  -4.782  -15.939 1.00 13.39 1   X 1 
HETATM 2721 C C24 . LIG_X X 24 .   ? -1.220  -4.379  -15.833 1.00 10.88 1   X 1 
HETATM 2722 C C25 . LIG_X X 24 .   ? -3.140  -4.927  -14.641 1.00 11.05 1   X 1 
HETATM 2723 C C26 . LIG_X X 24 .   ? -3.308  -3.821  -16.613 1.00 10.84 1   X 1 
HETATM 2724 O O7  . LIG_X X 24 .   ? -4.808  -8.958  -10.615 1.00 10.79 1   X 1 
HETATM 2725 C C27 . LIG_X X 24 .   ? -4.729  -10.113 -10.068 1.00 11.36 1   X 1 
HETATM 2726 O O8  . LIG_X X 24 .   ? -3.720  -10.758 -10.143 1.00 9.93  1   X 1 
HETATM 2727 C C28 . LIG_X X 24 .   ? -5.792  -10.512 -9.385  1.00 8.64  1   X 1 
HETATM 2728 C C29 . LIG_X X 24 .   ? -5.928  -11.386 -8.594  1.00 7.99  1   X 1 
HETATM 2729 C C30 . LIG_X X 24 .   ? -6.438  -12.071 -7.848  1.00 7.01  1   X 1 
HETATM 2730 C C31 . LIG_X X 24 .   ? -6.740  -12.915 -7.140  1.00 5.84  1   X 1 
HETATM 2731 C C32 . LIG_X X 24 .   ? -7.115  -13.751 -6.482  1.00 5.82  1   X 1 
HETATM 2732 C C33 . LIG_X X 24 .   ? -7.422  -14.664 -5.860  1.00 5.19  1   X 1 
HETATM 2733 C C34 . LIG_X X 24 .   ? -7.727  -15.599 -5.286  1.00 4.53  1   X 1 
HETATM 2734 C C35 . LIG_X X 24 .   ? -8.003  -16.553 -4.746  1.00 4.18  1   X 1 
HETATM 2735 C C36 . LIG_X X 24 .   ? -8.273  -17.513 -4.207  1.00 4.21  1   X 1 
HETATM 2736 C C37 . LIG_X X 24 .   ? -8.515  -18.471 -3.646  1.00 3.84  1   X 1 
HETATM 2737 C C38 . LIG_X X 24 .   ? -8.719  -19.405 -3.033  1.00 3.19  1   X 1 
HETATM 2738 C C39 . LIG_X X 24 .   ? -8.869  -20.300 -2.336  1.00 3.15  1   X 1 
HETATM 2739 C C40 . LIG_X X 24 .   ? -8.937  -21.106 -1.550  1.00 3.37  1   X 1 
HETATM 2740 C C41 . LIG_X X 24 .   ? -8.911  -21.833 -0.683  1.00 2.60  1   X 1 
HETATM 2741 C C42 . LIG_X X 24 .   ? -8.829  -22.503 0.180   1.00 2.57  1   X 1 
HETATM 2742 C C43 . LIG_X X 24 .   ? -8.724  -23.160 1.057   1.00 2.13  1   X 1 
HETATM 2743 C C44 . LIG_X X 24 .   ? -8.596  -23.893 1.961   1.00 2.33  1   X 1 
HETATM 2744 C C1  . LIG_Y Y 25 .   ? -13.783 -20.733 1.259   1.00 3.63  1   Y 1 
HETATM 2745 C C2  . LIG_Y Y 25 .   ? -14.766 -20.766 0.723   1.00 3.75  1   Y 1 
HETATM 2746 C C3  . LIG_Y Y 25 .   ? -15.269 -20.165 -0.159  1.00 3.25  1   Y 1 
HETATM 2747 C C4  . LIG_Y Y 25 .   ? -15.141 -19.413 -0.975  1.00 3.98  1   Y 1 
HETATM 2748 C C5  . LIG_Y Y 25 .   ? -14.923 -18.682 -1.787  1.00 3.55  1   Y 1 
HETATM 2749 C C6  . LIG_Y Y 25 .   ? -14.527 -17.986 -2.584  1.00 3.32  1   Y 1 
HETATM 2750 C C7  . LIG_Y Y 25 .   ? -14.064 -17.376 -3.366  1.00 3.63  1   Y 1 
HETATM 2751 C C8  . LIG_Y Y 25 .   ? -13.531 -16.801 -4.172  1.00 3.77  1   Y 1 
HETATM 2752 C C9  . LIG_Y Y 25 .   ? -12.974 -16.281 -4.977  1.00 4.63  1   Y 1 
HETATM 2753 C C10 . LIG_Y Y 25 .   ? -12.409 -15.773 -5.850  1.00 4.78  1   Y 1 
HETATM 2754 C C11 . LIG_Y Y 25 .   ? -11.873 -15.303 -6.732  1.00 4.83  1   Y 1 
HETATM 2755 C C12 . LIG_Y Y 25 .   ? -11.335 -14.804 -7.622  1.00 5.25  1   Y 1 
HETATM 2756 C C13 . LIG_Y Y 25 .   ? -10.825 -14.349 -8.529  1.00 4.19  1   Y 1 
HETATM 2757 C C14 . LIG_Y Y 25 .   ? -10.305 -13.805 -9.404  1.00 4.16  1   Y 1 
HETATM 2758 C C15 . LIG_Y Y 25 .   ? -9.795  -13.405 -10.310 1.00 4.30  1   Y 1 
HETATM 2759 C C16 . LIG_Y Y 25 .   ? -9.256  -12.687 -11.096 1.00 4.54  1   Y 1 
HETATM 2760 C C17 . LIG_Y Y 25 .   ? -8.713  -12.498 -12.078 1.00 3.92  1   Y 1 
HETATM 2761 C C18 . LIG_Y Y 25 .   ? -8.154  -11.517 -12.744 1.00 4.73  1   Y 1 
HETATM 2762 O O1  . LIG_Y Y 25 .   ? -7.344  -11.726 -13.559 1.00 5.85  1   Y 1 
HETATM 2763 O O2  . LIG_Y Y 25 .   ? -8.523  -10.360 -12.398 1.00 5.75  1   Y 1 
HETATM 2764 C C19 . LIG_Y Y 25 .   ? -7.943  -9.337  -13.025 1.00 4.51  1   Y 1 
HETATM 2765 C C20 . LIG_Y Y 25 .   ? -8.552  -8.074  -12.593 1.00 7.16  1   Y 1 
HETATM 2766 C C21 . LIG_Y Y 25 .   ? -7.986  -6.928  -13.340 1.00 5.93  1   Y 1 
HETATM 2767 O O3  . LIG_Y Y 25 .   ? -7.508  -7.364  -14.535 1.00 5.65  1   Y 1 
HETATM 2768 P P1  . LIG_Y Y 25 .   ? -7.215  -6.389  -15.727 1.00 8.04  1   Y 1 
HETATM 2769 O O4  . LIG_Y Y 25 .   ? -6.707  -5.137  -15.206 1.00 7.69  1   Y 1 
HETATM 2770 O O5  . LIG_Y Y 25 .   ? -6.445  -7.061  -16.691 1.00 6.21  1   Y 1 
HETATM 2771 O O6  . LIG_Y Y 25 .   ? -8.656  -6.070  -16.216 1.00 5.94  1   Y 1 
HETATM 2772 C C22 . LIG_Y Y 25 .   ? -9.415  -6.817  -16.935 1.00 4.35  1   Y 1 
HETATM 2773 C C23 . LIG_Y Y 25 .   ? -10.606 -6.066  -17.297 1.00 5.71  1   Y 1 
HETATM 2774 N N1  . LIG_Y Y 25 .   ? -11.657 -6.830  -17.810 1.00 7.72  1   Y 1 
HETATM 2775 C C24 . LIG_Y Y 25 .   ? -11.227 -7.532  -18.954 1.00 3.15  1   Y 1 
HETATM 2776 C C25 . LIG_Y Y 25 .   ? -12.681 -5.942  -18.168 1.00 3.57  1   Y 1 
HETATM 2777 C C26 . LIG_Y Y 25 .   ? -12.110 -7.732  -16.833 1.00 3.74  1   Y 1 
HETATM 2778 O O7  . LIG_Y Y 25 .   ? -8.217  -7.905  -11.249 1.00 8.57  1   Y 1 
HETATM 2779 C C27 . LIG_Y Y 25 .   ? -9.213  -7.749  -10.454 1.00 9.01  1   Y 1 
HETATM 2780 O O8  . LIG_Y Y 25 .   ? -10.329 -7.675  -10.875 1.00 8.26  1   Y 1 
HETATM 2781 C C28 . LIG_Y Y 25 .   ? -8.916  -7.760  -9.130  1.00 7.34  1   Y 1 
HETATM 2782 C C29 . LIG_Y Y 25 .   ? -9.432  -8.511  -8.305  1.00 7.30  1   Y 1 
HETATM 2783 C C30 . LIG_Y Y 25 .   ? -9.502  -9.089  -7.302  1.00 6.34  1   Y 1 
HETATM 2784 C C31 . LIG_Y Y 25 .   ? -9.753  -9.861  -6.487  1.00 5.79  1   Y 1 
HETATM 2785 C C32 . LIG_Y Y 25 .   ? -9.823  -10.576 -5.594  1.00 5.87  1   Y 1 
HETATM 2786 C C33 . LIG_Y Y 25 .   ? -9.950  -11.377 -4.778  1.00 5.22  1   Y 1 
HETATM 2787 C C34 . LIG_Y Y 25 .   ? -10.026 -12.175 -3.940  1.00 4.62  1   Y 1 
HETATM 2788 C C35 . LIG_Y Y 25 .   ? -10.116 -13.018 -3.163  1.00 4.33  1   Y 1 
HETATM 2789 C C36 . LIG_Y Y 25 .   ? -10.222 -13.869 -2.390  1.00 4.27  1   Y 1 
HETATM 2790 C C37 . LIG_Y Y 25 .   ? -10.367 -14.748 -1.647  1.00 4.14  1   Y 1 
HETATM 2791 C C38 . LIG_Y Y 25 .   ? -10.540 -15.629 -0.910  1.00 3.15  1   Y 1 
HETATM 2792 C C39 . LIG_Y Y 25 .   ? -10.765 -16.532 -0.198  1.00 3.27  1   Y 1 
HETATM 2793 C C40 . LIG_Y Y 25 .   ? -11.024 -17.443 0.474   1.00 3.27  1   Y 1 
HETATM 2794 C C41 . LIG_Y Y 25 .   ? -11.319 -18.370 1.115   1.00 2.77  1   Y 1 
HETATM 2795 C C42 . LIG_Y Y 25 .   ? -11.600 -19.260 1.727   1.00 2.51  1   Y 1 
HETATM 2796 C C43 . LIG_Y Y 25 .   ? -11.807 -20.152 2.378   1.00 2.03  1   Y 1 
HETATM 2797 C C44 . LIG_Y Y 25 .   ? -11.924 -21.090 3.151   1.00 2.32  1   Y 1 
HETATM 2798 C C1  . LIG_Z Z 26 .   ? -3.730  -27.773 10.982  1.00 3.83  1   Z 1 
HETATM 2799 C C2  . LIG_Z Z 26 .   ? -3.731  -27.392 12.036  1.00 4.41  1   Z 1 
HETATM 2800 C C3  . LIG_Z Z 26 .   ? -3.094  -26.685 12.728  1.00 4.08  1   Z 1 
HETATM 2801 C C4  . LIG_Z Z 26 .   ? -2.232  -25.982 12.870  1.00 4.56  1   Z 1 
HETATM 2802 C C5  . LIG_Z Z 26 .   ? -1.413  -25.231 13.020  1.00 3.94  1   Z 1 
HETATM 2803 C C6  . LIG_Z Z 26 .   ? -0.577  -24.476 12.990  1.00 3.34  1   Z 1 
HETATM 2804 C C7  . LIG_Z Z 26 .   ? 0.214   -23.728 12.912  1.00 3.49  1   Z 1 
HETATM 2805 C C8  . LIG_Z Z 26 .   ? 1.015   -22.976 12.752  1.00 3.45  1   Z 1 
HETATM 2806 C C9  . LIG_Z Z 26 .   ? 1.819   -22.248 12.582  1.00 3.99  1   Z 1 
HETATM 2807 C C10 . LIG_Z Z 26 .   ? 2.652   -21.485 12.441  1.00 4.26  1   Z 1 
HETATM 2808 C C11 . LIG_Z Z 26 .   ? 3.457   -20.729 12.374  1.00 4.00  1   Z 1 
HETATM 2809 C C12 . LIG_Z Z 26 .   ? 4.279   -19.946 12.329  1.00 4.33  1   Z 1 
HETATM 2810 C C13 . LIG_Z Z 26 .   ? 5.062   -19.150 12.385  1.00 3.63  1   Z 1 
HETATM 2811 C C14 . LIG_Z Z 26 .   ? 5.832   -18.311 12.325  1.00 3.88  1   Z 1 
HETATM 2812 C C15 . LIG_Z Z 26 .   ? 6.589   -17.499 12.470  1.00 4.04  1   Z 1 
HETATM 2813 C C16 . LIG_Z Z 26 .   ? 7.327   -16.590 12.295  1.00 4.53  1   Z 1 
HETATM 2814 C C17 . LIG_Z Z 26 .   ? 8.063   -15.759 12.611  1.00 3.48  1   Z 1 
HETATM 2815 C C18 . LIG_Z Z 26 .   ? 8.725   -14.794 12.022  1.00 4.53  1   Z 1 
HETATM 2816 O O1  . LIG_Z Z 26 .   ? 9.096   -13.839 12.598  1.00 5.94  1   Z 1 
HETATM 2817 O O2  . LIG_Z Z 26 .   ? 8.873   -14.993 10.791  1.00 5.78  1   Z 1 
HETATM 2818 C C19 . LIG_Z Z 26 .   ? 9.437   -14.020 10.062  1.00 4.44  1   Z 1 
HETATM 2819 C C20 . LIG_Z Z 26 .   ? 9.465   -14.448 8.652   1.00 6.16  1   Z 1 
HETATM 2820 C C21 . LIG_Z Z 26 .   ? 10.050  -13.402 7.802   1.00 6.04  1   Z 1 
HETATM 2821 O O3  . LIG_Z Z 26 .   ? 11.258  -13.073 8.315   1.00 6.38  1   Z 1 
HETATM 2822 P P1  . LIG_Z Z 26 .   ? 12.456  -12.715 7.376   1.00 9.88  1   Z 1 
HETATM 2823 O O4  . LIG_Z Z 26 .   ? 12.014  -11.713 6.427   1.00 10.22 1   Z 1 
HETATM 2824 O O5  . LIG_Z Z 26 .   ? 13.596  -12.411 8.200   1.00 9.50  1   Z 1 
HETATM 2825 O O6  . LIG_Z Z 26 .   ? 12.700  -14.046 6.653   1.00 8.66  1   Z 1 
HETATM 2826 C C22 . LIG_Z Z 26 .   ? 12.588  -14.201 5.359   1.00 7.78  1   Z 1 
HETATM 2827 C C23 . LIG_Z Z 26 .   ? 12.774  -15.578 4.985   1.00 7.91  1   Z 1 
HETATM 2828 N N1  . LIG_Z Z 26 .   ? 11.776  -16.120 4.145   1.00 10.12 1   Z 1 
HETATM 2829 C C24 . LIG_Z Z 26 .   ? 10.679  -16.526 4.947   1.00 4.81  1   Z 1 
HETATM 2830 C C25 . LIG_Z Z 26 .   ? 12.297  -17.218 3.480   1.00 5.44  1   Z 1 
HETATM 2831 C C26 . LIG_Z Z 26 .   ? 11.343  -15.146 3.209   1.00 6.39  1   Z 1 
HETATM 2832 O O7  . LIG_Z Z 26 .   ? 8.170   -14.664 8.242   1.00 7.01  1   Z 1 
HETATM 2833 C C27 . LIG_Z Z 26 .   ? 7.951   -15.837 7.810   1.00 6.20  1   Z 1 
HETATM 2834 O O8  . LIG_Z Z 26 .   ? 8.856   -16.559 7.518   1.00 5.02  1   Z 1 
HETATM 2835 C C28 . LIG_Z Z 26 .   ? 6.682   -16.192 7.767   1.00 4.30  1   Z 1 
HETATM 2836 C C29 . LIG_Z Z 26 .   ? 6.214   -17.266 7.836   1.00 4.84  1   Z 1 
HETATM 2837 C C30 . LIG_Z Z 26 .   ? 5.513   -18.133 7.921   1.00 4.40  1   Z 1 
HETATM 2838 C C31 . LIG_Z Z 26 .   ? 4.965   -19.120 8.007   1.00 3.97  1   Z 1 
HETATM 2839 C C32 . LIG_Z Z 26 .   ? 4.414   -20.079 8.085   1.00 4.16  1   Z 1 
HETATM 2840 C C33 . LIG_Z Z 26 .   ? 3.925   -21.089 8.154   1.00 3.54  1   Z 1 
HETATM 2841 C C34 . LIG_Z Z 26 .   ? 3.450   -22.104 8.227   1.00 3.08  1   Z 1 
HETATM 2842 C C35 . LIG_Z Z 26 .   ? 2.989   -23.108 8.312   1.00 2.98  1   Z 1 
HETATM 2843 C C36 . LIG_Z Z 26 .   ? 2.495   -24.106 8.398   1.00 3.08  1   Z 1 
HETATM 2844 C C37 . LIG_Z Z 26 .   ? 1.932   -25.060 8.479   1.00 3.01  1   Z 1 
HETATM 2845 C C38 . LIG_Z Z 26 .   ? 1.253   -25.958 8.539   1.00 2.88  1   Z 1 
HETATM 2846 C C39 . LIG_Z Z 26 .   ? 0.449   -26.756 8.591   1.00 3.16  1   Z 1 
HETATM 2847 C C40 . LIG_Z Z 26 .   ? -0.476  -27.401 8.635   1.00 3.39  1   Z 1 
HETATM 2848 C C41 . LIG_Z Z 26 .   ? -1.502  -27.896 8.664   1.00 2.86  1   Z 1 
HETATM 2849 C C42 . LIG_Z Z 26 .   ? -2.532  -28.266 8.637   1.00 2.85  1   Z 1 
HETATM 2850 C C43 . LIG_Z Z 26 .   ? -3.574  -28.566 8.515   1.00 2.21  1   Z 1 
HETATM 2851 C C44 . LIG_Z Z 26 .   ? -4.670  -28.878 8.192   1.00 2.44  1   Z 1 
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