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  1. data/files/A000J/pocket_01.pdb +244 -0
  2. data/files/A000J/pocket_02.pdb +212 -0
  3. data/files/A000J/pocket_03.pdb +177 -0
  4. data/files/A000J/pocket_04.pdb +163 -0
  5. data/files/A000J/pocket_05.pdb +156 -0
  6. data/files/A000J/pocket_06.pdb +142 -0
  7. data/files/A000J/pocket_07.pdb +136 -0
  8. data/files/A000J/pocket_08.pdb +128 -0
  9. data/files/A000J/pocket_09.pdb +126 -0
  10. data/files/A000J/pocket_10.pdb +117 -0
  11. data/files/A000J/structure.pdb +0 -0
  12. data/files/A000Z/structure.pdb +0 -0
  13. data/files/A0013/pocket_01.pdb +324 -0
  14. data/files/A0013/pocket_02.pdb +280 -0
  15. data/files/A0013/pocket_03.pdb +141 -0
  16. data/files/A0013/pocket_04.pdb +124 -0
  17. data/files/A0013/pocket_05.pdb +54 -0
  18. data/files/A0013/pocket_06.pdb +51 -0
  19. data/files/A0013/structure.pdb +0 -0
  20. data/files/A0014/pocket_01.pdb +307 -0
  21. data/files/A0014/pocket_02.pdb +259 -0
  22. data/files/A0014/pocket_03.pdb +229 -0
  23. data/files/A0014/pocket_04.pdb +218 -0
  24. data/files/A0014/pocket_05.pdb +214 -0
  25. data/files/A0014/pocket_06.pdb +207 -0
  26. data/files/A0014/pocket_07.pdb +197 -0
  27. data/files/A0014/pocket_08.pdb +192 -0
  28. data/files/A0014/pocket_09.pdb +187 -0
  29. data/files/A0014/pocket_10.pdb +141 -0
  30. data/files/A0014/structure.pdb +0 -0
  31. data/files/A0016/pocket_01.pdb +323 -0
  32. data/files/A0016/pocket_02.pdb +285 -0
  33. data/files/A0016/pocket_03.pdb +282 -0
  34. data/files/A0016/pocket_04.pdb +262 -0
  35. data/files/A0016/pocket_05.pdb +184 -0
  36. data/files/A0016/pocket_06.pdb +178 -0
  37. data/files/A0016/pocket_07.pdb +164 -0
  38. data/files/A0016/pocket_08.pdb +159 -0
  39. data/files/A0016/pocket_09.pdb +86 -0
  40. data/files/A0016/pocket_10.pdb +65 -0
  41. data/files/A0016/structure.pdb +0 -0
  42. data/files/A0018/pocket_01.pdb +193 -0
  43. data/files/A0018/pocket_02.pdb +173 -0
  44. data/files/A0018/pocket_03.pdb +144 -0
  45. data/files/A0018/pocket_04.pdb +143 -0
  46. data/files/A0018/pocket_05.pdb +140 -0
  47. data/files/A0018/pocket_06.pdb +74 -0
  48. data/files/A0018/pocket_07.pdb +74 -0
  49. data/files/A0018/pocket_08.pdb +66 -0
  50. data/files/A0018/pocket_09.pdb +55 -0
data/files/A000J/pocket_01.pdb ADDED
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data/files/A000J/pocket_02.pdb ADDED
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data/files/A000J/pocket_03.pdb ADDED
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+ ATOM 55 C PTH 1 14.17 77.29 43.82 0.00 0.00
56
+ ATOM 56 C PTH 1 14.17 77.29 44.82 0.00 0.00
57
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58
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59
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60
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61
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62
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63
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64
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65
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67
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70
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71
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72
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73
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74
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75
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77
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78
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79
+ ATOM 79 C PTH 1 15.17 73.29 45.82 0.00 0.00
80
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81
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82
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83
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
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96
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98
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100
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105
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106
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107
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108
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110
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111
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112
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113
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114
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115
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118
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119
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120
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121
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122
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123
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124
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125
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127
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130
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131
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132
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133
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134
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136
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137
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138
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139
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146
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147
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148
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149
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150
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151
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152
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154
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155
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156
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157
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158
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159
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160
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161
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162
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163
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164
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165
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166
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167
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168
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169
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170
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171
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172
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173
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174
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175
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176
+ ATOM 176 C PTH 1 18.17 76.29 48.82 0.00 0.00
177
+ ATOM 177 C PTH 1 18.17 77.29 48.82 0.00 0.00
data/files/A000J/pocket_04.pdb ADDED
@@ -0,0 +1,163 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 10.17 82.29 15.82 0.00 0.00
2
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3
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4
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5
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6
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7
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8
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9
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10
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11
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12
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13
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14
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15
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16
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17
+ ATOM 17 C PTH 1 11.17 81.29 15.82 0.00 0.00
18
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19
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20
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21
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22
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23
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24
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25
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26
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27
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28
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29
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30
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31
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32
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34
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35
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36
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37
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38
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39
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40
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41
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42
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44
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46
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47
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48
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49
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50
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51
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52
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53
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54
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55
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56
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57
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58
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59
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60
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61
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62
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63
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64
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65
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66
+ ATOM 66 C PTH 1 13.17 79.29 14.82 0.00 0.00
67
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68
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69
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70
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71
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72
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73
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74
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75
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76
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77
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78
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79
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80
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81
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82
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83
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84
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85
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86
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87
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88
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89
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90
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91
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92
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93
+ ATOM 93 C PTH 1 14.17 78.29 13.82 0.00 0.00
94
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95
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96
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97
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98
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99
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100
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101
+ ATOM 101 C PTH 1 14.17 80.29 13.82 0.00 0.00
102
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103
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104
+ ATOM 104 C PTH 1 14.17 80.29 16.82 0.00 0.00
105
+ ATOM 105 C PTH 1 14.17 80.29 17.82 0.00 0.00
106
+ ATOM 106 C PTH 1 14.17 81.29 14.82 0.00 0.00
107
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108
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109
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110
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111
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112
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113
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114
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115
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116
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117
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118
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119
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120
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121
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122
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123
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124
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125
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126
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127
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128
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129
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130
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131
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132
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133
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134
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135
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136
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137
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138
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139
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140
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141
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142
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143
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144
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145
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146
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147
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148
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149
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150
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151
+ ATOM 151 C PTH 1 16.17 79.29 16.82 0.00 0.00
152
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153
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154
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155
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156
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157
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158
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159
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160
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161
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data/files/A000J/pocket_05.pdb ADDED
@@ -0,0 +1,156 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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data/files/A000J/pocket_06.pdb ADDED
@@ -0,0 +1,142 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A000J/pocket_07.pdb ADDED
@@ -0,0 +1,136 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A000J/pocket_08.pdb ADDED
@@ -0,0 +1,128 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 22.17 78.29 26.82 0.00 0.00
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data/files/A0013/pocket_01.pdb ADDED
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16
+ ATOM 16 C PTH 1 61.9 72.79 44.25 0.00 0.00
17
+ ATOM 17 C PTH 1 61.9 72.79 45.25 0.00 0.00
18
+ ATOM 18 C PTH 1 61.9 73.79 42.25 0.00 0.00
19
+ ATOM 19 C PTH 1 61.9 73.79 43.25 0.00 0.00
20
+ ATOM 20 C PTH 1 61.9 73.79 44.25 0.00 0.00
21
+ ATOM 21 C PTH 1 61.9 73.79 45.25 0.00 0.00
22
+ ATOM 22 C PTH 1 61.9 74.79 43.25 0.00 0.00
23
+ ATOM 23 C PTH 1 61.9 74.79 44.25 0.00 0.00
24
+ ATOM 24 C PTH 1 61.9 74.79 45.25 0.00 0.00
25
+ ATOM 25 C PTH 1 62.9 68.79 42.25 0.00 0.00
26
+ ATOM 26 C PTH 1 62.9 68.79 43.25 0.00 0.00
27
+ ATOM 27 C PTH 1 62.9 68.79 44.25 0.00 0.00
28
+ ATOM 28 C PTH 1 62.9 68.79 45.25 0.00 0.00
29
+ ATOM 29 C PTH 1 62.9 69.79 41.25 0.00 0.00
30
+ ATOM 30 C PTH 1 62.9 69.79 42.25 0.00 0.00
31
+ ATOM 31 C PTH 1 62.9 69.79 43.25 0.00 0.00
32
+ ATOM 32 C PTH 1 62.9 69.79 44.25 0.00 0.00
33
+ ATOM 33 C PTH 1 62.9 69.79 45.25 0.00 0.00
34
+ ATOM 34 C PTH 1 62.9 69.79 46.25 0.00 0.00
35
+ ATOM 35 C PTH 1 62.9 70.79 41.25 0.00 0.00
36
+ ATOM 36 C PTH 1 62.9 70.79 42.25 0.00 0.00
37
+ ATOM 37 C PTH 1 62.9 70.79 43.25 0.00 0.00
38
+ ATOM 38 C PTH 1 62.9 70.79 44.25 0.00 0.00
39
+ ATOM 39 C PTH 1 62.9 70.79 45.25 0.00 0.00
40
+ ATOM 40 C PTH 1 62.9 70.79 46.25 0.00 0.00
41
+ ATOM 41 C PTH 1 62.9 71.79 41.25 0.00 0.00
42
+ ATOM 42 C PTH 1 62.9 71.79 42.25 0.00 0.00
43
+ ATOM 43 C PTH 1 62.9 71.79 43.25 0.00 0.00
44
+ ATOM 44 C PTH 1 62.9 71.79 44.25 0.00 0.00
45
+ ATOM 45 C PTH 1 62.9 71.79 45.25 0.00 0.00
46
+ ATOM 46 C PTH 1 62.9 71.79 46.25 0.00 0.00
47
+ ATOM 47 C PTH 1 62.9 72.79 41.25 0.00 0.00
48
+ ATOM 48 C PTH 1 62.9 72.79 42.25 0.00 0.00
49
+ ATOM 49 C PTH 1 62.9 72.79 43.25 0.00 0.00
50
+ ATOM 50 C PTH 1 62.9 72.79 44.25 0.00 0.00
51
+ ATOM 51 C PTH 1 62.9 72.79 45.25 0.00 0.00
52
+ ATOM 52 C PTH 1 62.9 72.79 46.25 0.00 0.00
53
+ ATOM 53 C PTH 1 62.9 73.79 41.25 0.00 0.00
54
+ ATOM 54 C PTH 1 62.9 73.79 42.25 0.00 0.00
55
+ ATOM 55 C PTH 1 62.9 73.79 43.25 0.00 0.00
56
+ ATOM 56 C PTH 1 62.9 73.79 44.25 0.00 0.00
57
+ ATOM 57 C PTH 1 62.9 73.79 45.25 0.00 0.00
58
+ ATOM 58 C PTH 1 62.9 73.79 46.25 0.00 0.00
59
+ ATOM 59 C PTH 1 62.9 74.79 42.25 0.00 0.00
60
+ ATOM 60 C PTH 1 62.9 74.79 43.25 0.00 0.00
61
+ ATOM 61 C PTH 1 62.9 74.79 44.25 0.00 0.00
62
+ ATOM 62 C PTH 1 62.9 74.79 45.25 0.00 0.00
63
+ ATOM 63 C PTH 1 62.9 74.79 46.25 0.00 0.00
64
+ ATOM 64 C PTH 1 63.9 67.79 41.25 0.00 0.00
65
+ ATOM 65 C PTH 1 63.9 67.79 42.25 0.00 0.00
66
+ ATOM 66 C PTH 1 63.9 68.79 41.25 0.00 0.00
67
+ ATOM 67 C PTH 1 63.9 68.79 42.25 0.00 0.00
68
+ ATOM 68 C PTH 1 63.9 68.79 43.25 0.00 0.00
69
+ ATOM 69 C PTH 1 63.9 68.79 44.25 0.00 0.00
70
+ ATOM 70 C PTH 1 63.9 68.79 45.25 0.00 0.00
71
+ ATOM 71 C PTH 1 63.9 68.79 46.25 0.00 0.00
72
+ ATOM 72 C PTH 1 63.9 69.79 41.25 0.00 0.00
73
+ ATOM 73 C PTH 1 63.9 69.79 42.25 0.00 0.00
74
+ ATOM 74 C PTH 1 63.9 69.79 43.25 0.00 0.00
75
+ ATOM 75 C PTH 1 63.9 69.79 44.25 0.00 0.00
76
+ ATOM 76 C PTH 1 63.9 69.79 45.25 0.00 0.00
77
+ ATOM 77 C PTH 1 63.9 69.79 46.25 0.00 0.00
78
+ ATOM 78 C PTH 1 63.9 70.79 41.25 0.00 0.00
79
+ ATOM 79 C PTH 1 63.9 70.79 42.25 0.00 0.00
80
+ ATOM 80 C PTH 1 63.9 70.79 43.25 0.00 0.00
81
+ ATOM 81 C PTH 1 63.9 70.79 44.25 0.00 0.00
82
+ ATOM 82 C PTH 1 63.9 70.79 45.25 0.00 0.00
83
+ ATOM 83 C PTH 1 63.9 70.79 46.25 0.00 0.00
84
+ ATOM 84 C PTH 1 63.9 70.79 47.25 0.00 0.00
85
+ ATOM 85 C PTH 1 63.9 71.79 41.25 0.00 0.00
86
+ ATOM 86 C PTH 1 63.9 71.79 42.25 0.00 0.00
87
+ ATOM 87 C PTH 1 63.9 71.79 43.25 0.00 0.00
88
+ ATOM 88 C PTH 1 63.9 71.79 44.25 0.00 0.00
89
+ ATOM 89 C PTH 1 63.9 71.79 45.25 0.00 0.00
90
+ ATOM 90 C PTH 1 63.9 71.79 46.25 0.00 0.00
91
+ ATOM 91 C PTH 1 63.9 71.79 47.25 0.00 0.00
92
+ ATOM 92 C PTH 1 63.9 72.79 41.25 0.00 0.00
93
+ ATOM 93 C PTH 1 63.9 72.79 42.25 0.00 0.00
94
+ ATOM 94 C PTH 1 63.9 72.79 43.25 0.00 0.00
95
+ ATOM 95 C PTH 1 63.9 72.79 44.25 0.00 0.00
96
+ ATOM 96 C PTH 1 63.9 72.79 45.25 0.00 0.00
97
+ ATOM 97 C PTH 1 63.9 72.79 46.25 0.00 0.00
98
+ ATOM 98 C PTH 1 63.9 73.79 41.25 0.00 0.00
99
+ ATOM 99 C PTH 1 63.9 73.79 42.25 0.00 0.00
100
+ ATOM 100 C PTH 1 63.9 73.79 43.25 0.00 0.00
101
+ ATOM 101 C PTH 1 63.9 73.79 44.25 0.00 0.00
102
+ ATOM 102 C PTH 1 63.9 73.79 45.25 0.00 0.00
103
+ ATOM 103 C PTH 1 63.9 73.79 46.25 0.00 0.00
104
+ ATOM 104 C PTH 1 63.9 74.79 42.25 0.00 0.00
105
+ ATOM 105 C PTH 1 63.9 74.79 43.25 0.00 0.00
106
+ ATOM 106 C PTH 1 63.9 74.79 44.25 0.00 0.00
107
+ ATOM 107 C PTH 1 63.9 74.79 45.25 0.00 0.00
108
+ ATOM 108 C PTH 1 63.9 74.79 46.25 0.00 0.00
109
+ ATOM 109 C PTH 1 63.9 75.79 43.25 0.00 0.00
110
+ ATOM 110 C PTH 1 63.9 75.79 44.25 0.00 0.00
111
+ ATOM 111 C PTH 1 63.9 75.79 45.25 0.00 0.00
112
+ ATOM 112 C PTH 1 63.9 75.79 46.25 0.00 0.00
113
+ ATOM 113 C PTH 1 64.9 68.79 42.25 0.00 0.00
114
+ ATOM 114 C PTH 1 64.9 68.79 43.25 0.00 0.00
115
+ ATOM 115 C PTH 1 64.9 68.79 44.25 0.00 0.00
116
+ ATOM 116 C PTH 1 64.9 68.79 45.25 0.00 0.00
117
+ ATOM 117 C PTH 1 64.9 68.79 46.25 0.00 0.00
118
+ ATOM 118 C PTH 1 64.9 69.79 41.25 0.00 0.00
119
+ ATOM 119 C PTH 1 64.9 69.79 42.25 0.00 0.00
120
+ ATOM 120 C PTH 1 64.9 69.79 43.25 0.00 0.00
121
+ ATOM 121 C PTH 1 64.9 69.79 44.25 0.00 0.00
122
+ ATOM 122 C PTH 1 64.9 69.79 45.25 0.00 0.00
123
+ ATOM 123 C PTH 1 64.9 69.79 46.25 0.00 0.00
124
+ ATOM 124 C PTH 1 64.9 70.79 41.25 0.00 0.00
125
+ ATOM 125 C PTH 1 64.9 70.79 42.25 0.00 0.00
126
+ ATOM 126 C PTH 1 64.9 70.79 43.25 0.00 0.00
127
+ ATOM 127 C PTH 1 64.9 70.79 44.25 0.00 0.00
128
+ ATOM 128 C PTH 1 64.9 70.79 45.25 0.00 0.00
129
+ ATOM 129 C PTH 1 64.9 70.79 46.25 0.00 0.00
130
+ ATOM 130 C PTH 1 64.9 70.79 47.25 0.00 0.00
131
+ ATOM 131 C PTH 1 64.9 71.79 41.25 0.00 0.00
132
+ ATOM 132 C PTH 1 64.9 71.79 42.25 0.00 0.00
133
+ ATOM 133 C PTH 1 64.9 71.79 43.25 0.00 0.00
134
+ ATOM 134 C PTH 1 64.9 71.79 44.25 0.00 0.00
135
+ ATOM 135 C PTH 1 64.9 71.79 45.25 0.00 0.00
136
+ ATOM 136 C PTH 1 64.9 71.79 46.25 0.00 0.00
137
+ ATOM 137 C PTH 1 64.9 71.79 47.25 0.00 0.00
138
+ ATOM 138 C PTH 1 64.9 72.79 41.25 0.00 0.00
139
+ ATOM 139 C PTH 1 64.9 72.79 42.25 0.00 0.00
140
+ ATOM 140 C PTH 1 64.9 72.79 43.25 0.00 0.00
141
+ ATOM 141 C PTH 1 64.9 72.79 44.25 0.00 0.00
142
+ ATOM 142 C PTH 1 64.9 72.79 45.25 0.00 0.00
143
+ ATOM 143 C PTH 1 64.9 72.79 46.25 0.00 0.00
144
+ ATOM 144 C PTH 1 64.9 73.79 41.25 0.00 0.00
145
+ ATOM 145 C PTH 1 64.9 73.79 42.25 0.00 0.00
146
+ ATOM 146 C PTH 1 64.9 73.79 43.25 0.00 0.00
147
+ ATOM 147 C PTH 1 64.9 73.79 44.25 0.00 0.00
148
+ ATOM 148 C PTH 1 64.9 73.79 45.25 0.00 0.00
149
+ ATOM 149 C PTH 1 64.9 73.79 46.25 0.00 0.00
150
+ ATOM 150 C PTH 1 64.9 74.79 42.25 0.00 0.00
151
+ ATOM 151 C PTH 1 64.9 74.79 43.25 0.00 0.00
152
+ ATOM 152 C PTH 1 64.9 74.79 44.25 0.00 0.00
153
+ ATOM 153 C PTH 1 64.9 74.79 45.25 0.00 0.00
154
+ ATOM 154 C PTH 1 64.9 74.79 46.25 0.00 0.00
155
+ ATOM 155 C PTH 1 64.9 75.79 42.25 0.00 0.00
156
+ ATOM 156 C PTH 1 64.9 75.79 43.25 0.00 0.00
157
+ ATOM 157 C PTH 1 64.9 75.79 44.25 0.00 0.00
158
+ ATOM 158 C PTH 1 64.9 75.79 45.25 0.00 0.00
159
+ ATOM 159 C PTH 1 64.9 75.79 46.25 0.00 0.00
160
+ ATOM 160 C PTH 1 64.9 76.79 42.25 0.00 0.00
161
+ ATOM 161 C PTH 1 64.9 76.79 43.25 0.00 0.00
162
+ ATOM 162 C PTH 1 64.9 76.79 44.25 0.00 0.00
163
+ ATOM 163 C PTH 1 64.9 76.79 45.25 0.00 0.00
164
+ ATOM 164 C PTH 1 65.9 68.79 43.25 0.00 0.00
165
+ ATOM 165 C PTH 1 65.9 68.79 44.25 0.00 0.00
166
+ ATOM 166 C PTH 1 65.9 68.79 45.25 0.00 0.00
167
+ ATOM 167 C PTH 1 65.9 69.79 42.25 0.00 0.00
168
+ ATOM 168 C PTH 1 65.9 69.79 43.25 0.00 0.00
169
+ ATOM 169 C PTH 1 65.9 69.79 44.25 0.00 0.00
170
+ ATOM 170 C PTH 1 65.9 69.79 45.25 0.00 0.00
171
+ ATOM 171 C PTH 1 65.9 69.79 46.25 0.00 0.00
172
+ ATOM 172 C PTH 1 65.9 70.79 42.25 0.00 0.00
173
+ ATOM 173 C PTH 1 65.9 70.79 43.25 0.00 0.00
174
+ ATOM 174 C PTH 1 65.9 70.79 44.25 0.00 0.00
175
+ ATOM 175 C PTH 1 65.9 70.79 45.25 0.00 0.00
176
+ ATOM 176 C PTH 1 65.9 70.79 46.25 0.00 0.00
177
+ ATOM 177 C PTH 1 65.9 70.79 47.25 0.00 0.00
178
+ ATOM 178 C PTH 1 65.9 71.79 41.25 0.00 0.00
179
+ ATOM 179 C PTH 1 65.9 71.79 42.25 0.00 0.00
180
+ ATOM 180 C PTH 1 65.9 71.79 43.25 0.00 0.00
181
+ ATOM 181 C PTH 1 65.9 71.79 44.25 0.00 0.00
182
+ ATOM 182 C PTH 1 65.9 71.79 45.25 0.00 0.00
183
+ ATOM 183 C PTH 1 65.9 71.79 46.25 0.00 0.00
184
+ ATOM 184 C PTH 1 65.9 71.79 47.25 0.00 0.00
185
+ ATOM 185 C PTH 1 65.9 72.79 42.25 0.00 0.00
186
+ ATOM 186 C PTH 1 65.9 72.79 43.25 0.00 0.00
187
+ ATOM 187 C PTH 1 65.9 72.79 44.25 0.00 0.00
188
+ ATOM 188 C PTH 1 65.9 72.79 45.25 0.00 0.00
189
+ ATOM 189 C PTH 1 65.9 72.79 46.25 0.00 0.00
190
+ ATOM 190 C PTH 1 65.9 73.79 42.25 0.00 0.00
191
+ ATOM 191 C PTH 1 65.9 73.79 43.25 0.00 0.00
192
+ ATOM 192 C PTH 1 65.9 73.79 44.25 0.00 0.00
193
+ ATOM 193 C PTH 1 65.9 73.79 45.25 0.00 0.00
194
+ ATOM 194 C PTH 1 65.9 73.79 46.25 0.00 0.00
195
+ ATOM 195 C PTH 1 65.9 74.79 41.25 0.00 0.00
196
+ ATOM 196 C PTH 1 65.9 74.79 42.25 0.00 0.00
197
+ ATOM 197 C PTH 1 65.9 74.79 43.25 0.00 0.00
198
+ ATOM 198 C PTH 1 65.9 74.79 44.25 0.00 0.00
199
+ ATOM 199 C PTH 1 65.9 74.79 45.25 0.00 0.00
200
+ ATOM 200 C PTH 1 65.9 74.79 46.25 0.00 0.00
201
+ ATOM 201 C PTH 1 65.9 75.79 41.25 0.00 0.00
202
+ ATOM 202 C PTH 1 65.9 75.79 42.25 0.00 0.00
203
+ ATOM 203 C PTH 1 65.9 75.79 43.25 0.00 0.00
204
+ ATOM 204 C PTH 1 65.9 75.79 44.25 0.00 0.00
205
+ ATOM 205 C PTH 1 65.9 75.79 45.25 0.00 0.00
206
+ ATOM 206 C PTH 1 65.9 75.79 46.25 0.00 0.00
207
+ ATOM 207 C PTH 1 65.9 76.79 40.25 0.00 0.00
208
+ ATOM 208 C PTH 1 65.9 76.79 41.25 0.00 0.00
209
+ ATOM 209 C PTH 1 65.9 76.79 42.25 0.00 0.00
210
+ ATOM 210 C PTH 1 65.9 76.79 43.25 0.00 0.00
211
+ ATOM 211 C PTH 1 65.9 76.79 44.25 0.00 0.00
212
+ ATOM 212 C PTH 1 65.9 76.79 45.25 0.00 0.00
213
+ ATOM 213 C PTH 1 65.9 77.79 40.25 0.00 0.00
214
+ ATOM 214 C PTH 1 65.9 77.79 41.25 0.00 0.00
215
+ ATOM 215 C PTH 1 65.9 77.79 42.25 0.00 0.00
216
+ ATOM 216 C PTH 1 65.9 77.79 43.25 0.00 0.00
217
+ ATOM 217 C PTH 1 65.9 77.79 44.25 0.00 0.00
218
+ ATOM 218 C PTH 1 65.9 78.79 39.25 0.00 0.00
219
+ ATOM 219 C PTH 1 65.9 78.79 40.25 0.00 0.00
220
+ ATOM 220 C PTH 1 65.9 78.79 41.25 0.00 0.00
221
+ ATOM 221 C PTH 1 65.9 78.79 42.25 0.00 0.00
222
+ ATOM 222 C PTH 1 65.9 78.79 43.25 0.00 0.00
223
+ ATOM 223 C PTH 1 65.9 79.79 39.25 0.00 0.00
224
+ ATOM 224 C PTH 1 65.9 79.79 40.25 0.00 0.00
225
+ ATOM 225 C PTH 1 66.9 69.79 44.25 0.00 0.00
226
+ ATOM 226 C PTH 1 66.9 69.79 45.25 0.00 0.00
227
+ ATOM 227 C PTH 1 66.9 69.79 46.25 0.00 0.00
228
+ ATOM 228 C PTH 1 66.9 70.79 43.25 0.00 0.00
229
+ ATOM 229 C PTH 1 66.9 70.79 44.25 0.00 0.00
230
+ ATOM 230 C PTH 1 66.9 70.79 45.25 0.00 0.00
231
+ ATOM 231 C PTH 1 66.9 70.79 46.25 0.00 0.00
232
+ ATOM 232 C PTH 1 66.9 71.79 43.25 0.00 0.00
233
+ ATOM 233 C PTH 1 66.9 71.79 44.25 0.00 0.00
234
+ ATOM 234 C PTH 1 66.9 71.79 45.25 0.00 0.00
235
+ ATOM 235 C PTH 1 66.9 71.79 46.25 0.00 0.00
236
+ ATOM 236 C PTH 1 66.9 72.79 42.25 0.00 0.00
237
+ ATOM 237 C PTH 1 66.9 72.79 43.25 0.00 0.00
238
+ ATOM 238 C PTH 1 66.9 72.79 44.25 0.00 0.00
239
+ ATOM 239 C PTH 1 66.9 72.79 45.25 0.00 0.00
240
+ ATOM 240 C PTH 1 66.9 72.79 46.25 0.00 0.00
241
+ ATOM 241 C PTH 1 66.9 73.79 42.25 0.00 0.00
242
+ ATOM 242 C PTH 1 66.9 73.79 43.25 0.00 0.00
243
+ ATOM 243 C PTH 1 66.9 73.79 44.25 0.00 0.00
244
+ ATOM 244 C PTH 1 66.9 73.79 45.25 0.00 0.00
245
+ ATOM 245 C PTH 1 66.9 73.79 46.25 0.00 0.00
246
+ ATOM 246 C PTH 1 66.9 74.79 42.25 0.00 0.00
247
+ ATOM 247 C PTH 1 66.9 74.79 43.25 0.00 0.00
248
+ ATOM 248 C PTH 1 66.9 74.79 44.25 0.00 0.00
249
+ ATOM 249 C PTH 1 66.9 74.79 45.25 0.00 0.00
250
+ ATOM 250 C PTH 1 66.9 74.79 46.25 0.00 0.00
251
+ ATOM 251 C PTH 1 66.9 75.79 41.25 0.00 0.00
252
+ ATOM 252 C PTH 1 66.9 75.79 42.25 0.00 0.00
253
+ ATOM 253 C PTH 1 66.9 75.79 43.25 0.00 0.00
254
+ ATOM 254 C PTH 1 66.9 75.79 44.25 0.00 0.00
255
+ ATOM 255 C PTH 1 66.9 75.79 45.25 0.00 0.00
256
+ ATOM 256 C PTH 1 66.9 76.79 40.25 0.00 0.00
257
+ ATOM 257 C PTH 1 66.9 76.79 41.25 0.00 0.00
258
+ ATOM 258 C PTH 1 66.9 76.79 42.25 0.00 0.00
259
+ ATOM 259 C PTH 1 66.9 76.79 43.25 0.00 0.00
260
+ ATOM 260 C PTH 1 66.9 76.79 44.25 0.00 0.00
261
+ ATOM 261 C PTH 1 66.9 76.79 45.25 0.00 0.00
262
+ ATOM 262 C PTH 1 66.9 77.79 39.25 0.00 0.00
263
+ ATOM 263 C PTH 1 66.9 77.79 40.25 0.00 0.00
264
+ ATOM 264 C PTH 1 66.9 77.79 41.25 0.00 0.00
265
+ ATOM 265 C PTH 1 66.9 77.79 42.25 0.00 0.00
266
+ ATOM 266 C PTH 1 66.9 77.79 43.25 0.00 0.00
267
+ ATOM 267 C PTH 1 66.9 77.79 44.25 0.00 0.00
268
+ ATOM 268 C PTH 1 66.9 78.79 39.25 0.00 0.00
269
+ ATOM 269 C PTH 1 66.9 78.79 40.25 0.00 0.00
270
+ ATOM 270 C PTH 1 66.9 78.79 41.25 0.00 0.00
271
+ ATOM 271 C PTH 1 66.9 78.79 42.25 0.00 0.00
272
+ ATOM 272 C PTH 1 66.9 78.79 43.25 0.00 0.00
273
+ ATOM 273 C PTH 1 66.9 79.79 39.25 0.00 0.00
274
+ ATOM 274 C PTH 1 66.9 79.79 40.25 0.00 0.00
275
+ ATOM 275 C PTH 1 66.9 79.79 41.25 0.00 0.00
276
+ ATOM 276 C PTH 1 66.9 79.79 42.25 0.00 0.00
277
+ ATOM 277 C PTH 1 67.9 73.79 42.25 0.00 0.00
278
+ ATOM 278 C PTH 1 67.9 73.79 43.25 0.00 0.00
279
+ ATOM 279 C PTH 1 67.9 73.79 44.25 0.00 0.00
280
+ ATOM 280 C PTH 1 67.9 73.79 45.25 0.00 0.00
281
+ ATOM 281 C PTH 1 67.9 74.79 41.25 0.00 0.00
282
+ ATOM 282 C PTH 1 67.9 74.79 42.25 0.00 0.00
283
+ ATOM 283 C PTH 1 67.9 74.79 43.25 0.00 0.00
284
+ ATOM 284 C PTH 1 67.9 74.79 44.25 0.00 0.00
285
+ ATOM 285 C PTH 1 67.9 74.79 45.25 0.00 0.00
286
+ ATOM 286 C PTH 1 67.9 75.79 41.25 0.00 0.00
287
+ ATOM 287 C PTH 1 67.9 75.79 42.25 0.00 0.00
288
+ ATOM 288 C PTH 1 67.9 75.79 43.25 0.00 0.00
289
+ ATOM 289 C PTH 1 67.9 75.79 44.25 0.00 0.00
290
+ ATOM 290 C PTH 1 67.9 76.79 40.25 0.00 0.00
291
+ ATOM 291 C PTH 1 67.9 76.79 41.25 0.00 0.00
292
+ ATOM 292 C PTH 1 67.9 76.79 42.25 0.00 0.00
293
+ ATOM 293 C PTH 1 67.9 76.79 43.25 0.00 0.00
294
+ ATOM 294 C PTH 1 67.9 76.79 44.25 0.00 0.00
295
+ ATOM 295 C PTH 1 67.9 77.79 40.25 0.00 0.00
296
+ ATOM 296 C PTH 1 67.9 77.79 41.25 0.00 0.00
297
+ ATOM 297 C PTH 1 67.9 77.79 42.25 0.00 0.00
298
+ ATOM 298 C PTH 1 67.9 77.79 43.25 0.00 0.00
299
+ ATOM 299 C PTH 1 67.9 77.79 44.25 0.00 0.00
300
+ ATOM 300 C PTH 1 67.9 78.79 39.25 0.00 0.00
301
+ ATOM 301 C PTH 1 67.9 78.79 40.25 0.00 0.00
302
+ ATOM 302 C PTH 1 67.9 78.79 41.25 0.00 0.00
303
+ ATOM 303 C PTH 1 67.9 78.79 42.25 0.00 0.00
304
+ ATOM 304 C PTH 1 67.9 78.79 43.25 0.00 0.00
305
+ ATOM 305 C PTH 1 67.9 79.79 39.25 0.00 0.00
306
+ ATOM 306 C PTH 1 67.9 79.79 40.25 0.00 0.00
307
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308
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310
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311
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312
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313
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314
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324
+ ATOM 324 C PTH 1 68.9 79.79 42.25 0.00 0.00
data/files/A0013/pocket_02.pdb ADDED
@@ -0,0 +1,280 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 75.9 66.79 38.25 0.00 0.00
2
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3
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71
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72
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77
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79
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81
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95
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101
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103
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107
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112
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114
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147
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154
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156
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157
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158
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159
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160
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161
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167
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169
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172
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174
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176
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177
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179
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180
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182
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185
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186
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187
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188
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189
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191
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192
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193
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194
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195
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196
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197
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199
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215
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217
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218
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219
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223
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224
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226
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227
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231
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232
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233
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234
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235
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236
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237
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238
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239
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240
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241
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242
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243
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244
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245
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246
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247
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248
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249
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250
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251
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252
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253
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254
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255
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256
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257
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258
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259
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260
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261
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262
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263
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280
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data/files/A0013/pocket_03.pdb ADDED
@@ -0,0 +1,141 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A0013/pocket_04.pdb ADDED
@@ -0,0 +1,124 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 76.9 73.79 25.25 0.00 0.00
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data/files/A0013/pocket_05.pdb ADDED
@@ -0,0 +1,54 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A0013/pocket_06.pdb ADDED
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data/files/A0013/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A0014/pocket_01.pdb ADDED
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1
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+ ATOM 164 C PTH 1 90.54 103.52 30.16 0.00 0.00
165
+ ATOM 165 C PTH 1 90.54 103.52 31.16 0.00 0.00
166
+ ATOM 166 C PTH 1 90.54 103.52 32.16 0.00 0.00
167
+ ATOM 167 C PTH 1 90.54 103.52 33.16 0.00 0.00
168
+ ATOM 168 C PTH 1 90.54 103.52 34.16 0.00 0.00
169
+ ATOM 169 C PTH 1 90.54 104.52 29.16 0.00 0.00
170
+ ATOM 170 C PTH 1 90.54 104.52 30.16 0.00 0.00
171
+ ATOM 171 C PTH 1 90.54 104.52 31.16 0.00 0.00
172
+ ATOM 172 C PTH 1 90.54 104.52 32.16 0.00 0.00
173
+ ATOM 173 C PTH 1 90.54 104.52 33.16 0.00 0.00
174
+ ATOM 174 C PTH 1 90.54 104.52 34.16 0.00 0.00
175
+ ATOM 175 C PTH 1 90.54 105.52 30.16 0.00 0.00
176
+ ATOM 176 C PTH 1 90.54 105.52 31.16 0.00 0.00
177
+ ATOM 177 C PTH 1 90.54 105.52 32.16 0.00 0.00
178
+ ATOM 178 C PTH 1 90.54 105.52 33.16 0.00 0.00
179
+ ATOM 179 C PTH 1 91.54 96.52 27.16 0.00 0.00
180
+ ATOM 180 C PTH 1 91.54 96.52 28.16 0.00 0.00
181
+ ATOM 181 C PTH 1 91.54 97.52 27.16 0.00 0.00
182
+ ATOM 182 C PTH 1 91.54 97.52 28.16 0.00 0.00
183
+ ATOM 183 C PTH 1 91.54 97.52 29.16 0.00 0.00
184
+ ATOM 184 C PTH 1 91.54 97.52 30.16 0.00 0.00
185
+ ATOM 185 C PTH 1 91.54 98.52 27.16 0.00 0.00
186
+ ATOM 186 C PTH 1 91.54 98.52 28.16 0.00 0.00
187
+ ATOM 187 C PTH 1 91.54 98.52 29.16 0.00 0.00
188
+ ATOM 188 C PTH 1 91.54 98.52 30.16 0.00 0.00
189
+ ATOM 189 C PTH 1 91.54 99.52 27.16 0.00 0.00
190
+ ATOM 190 C PTH 1 91.54 99.52 28.16 0.00 0.00
191
+ ATOM 191 C PTH 1 91.54 99.52 29.16 0.00 0.00
192
+ ATOM 192 C PTH 1 91.54 99.52 30.16 0.00 0.00
193
+ ATOM 193 C PTH 1 91.54 99.52 31.16 0.00 0.00
194
+ ATOM 194 C PTH 1 91.54 100.52 27.16 0.00 0.00
195
+ ATOM 195 C PTH 1 91.54 100.52 28.16 0.00 0.00
196
+ ATOM 196 C PTH 1 91.54 100.52 29.16 0.00 0.00
197
+ ATOM 197 C PTH 1 91.54 100.52 30.16 0.00 0.00
198
+ ATOM 198 C PTH 1 91.54 100.52 31.16 0.00 0.00
199
+ ATOM 199 C PTH 1 91.54 100.52 32.16 0.00 0.00
200
+ ATOM 200 C PTH 1 91.54 100.52 33.16 0.00 0.00
201
+ ATOM 201 C PTH 1 91.54 101.52 29.16 0.00 0.00
202
+ ATOM 202 C PTH 1 91.54 101.52 30.16 0.00 0.00
203
+ ATOM 203 C PTH 1 91.54 101.52 31.16 0.00 0.00
204
+ ATOM 204 C PTH 1 91.54 101.52 32.16 0.00 0.00
205
+ ATOM 205 C PTH 1 91.54 101.52 33.16 0.00 0.00
206
+ ATOM 206 C PTH 1 91.54 101.52 34.16 0.00 0.00
207
+ ATOM 207 C PTH 1 91.54 102.52 29.16 0.00 0.00
208
+ ATOM 208 C PTH 1 91.54 102.52 30.16 0.00 0.00
209
+ ATOM 209 C PTH 1 91.54 102.52 31.16 0.00 0.00
210
+ ATOM 210 C PTH 1 91.54 102.52 32.16 0.00 0.00
211
+ ATOM 211 C PTH 1 91.54 102.52 33.16 0.00 0.00
212
+ ATOM 212 C PTH 1 91.54 102.52 34.16 0.00 0.00
213
+ ATOM 213 C PTH 1 91.54 103.52 29.16 0.00 0.00
214
+ ATOM 214 C PTH 1 91.54 103.52 30.16 0.00 0.00
215
+ ATOM 215 C PTH 1 91.54 103.52 31.16 0.00 0.00
216
+ ATOM 216 C PTH 1 91.54 103.52 32.16 0.00 0.00
217
+ ATOM 217 C PTH 1 91.54 103.52 33.16 0.00 0.00
218
+ ATOM 218 C PTH 1 91.54 103.52 34.16 0.00 0.00
219
+ ATOM 219 C PTH 1 91.54 104.52 30.16 0.00 0.00
220
+ ATOM 220 C PTH 1 91.54 104.52 31.16 0.00 0.00
221
+ ATOM 221 C PTH 1 91.54 104.52 32.16 0.00 0.00
222
+ ATOM 222 C PTH 1 91.54 104.52 33.16 0.00 0.00
223
+ ATOM 223 C PTH 1 91.54 104.52 34.16 0.00 0.00
224
+ ATOM 224 C PTH 1 91.54 105.52 30.16 0.00 0.00
225
+ ATOM 225 C PTH 1 91.54 105.52 31.16 0.00 0.00
226
+ ATOM 226 C PTH 1 91.54 105.52 32.16 0.00 0.00
227
+ ATOM 227 C PTH 1 91.54 105.52 33.16 0.00 0.00
228
+ ATOM 228 C PTH 1 91.54 105.52 34.16 0.00 0.00
229
+ ATOM 229 C PTH 1 91.54 106.52 32.16 0.00 0.00
230
+ ATOM 230 C PTH 1 91.54 106.52 33.16 0.00 0.00
231
+ ATOM 231 C PTH 1 91.54 106.52 34.16 0.00 0.00
232
+ ATOM 232 C PTH 1 92.54 96.52 26.16 0.00 0.00
233
+ ATOM 233 C PTH 1 92.54 96.52 27.16 0.00 0.00
234
+ ATOM 234 C PTH 1 92.54 96.52 28.16 0.00 0.00
235
+ ATOM 235 C PTH 1 92.54 97.52 27.16 0.00 0.00
236
+ ATOM 236 C PTH 1 92.54 97.52 28.16 0.00 0.00
237
+ ATOM 237 C PTH 1 92.54 97.52 29.16 0.00 0.00
238
+ ATOM 238 C PTH 1 92.54 98.52 27.16 0.00 0.00
239
+ ATOM 239 C PTH 1 92.54 98.52 28.16 0.00 0.00
240
+ ATOM 240 C PTH 1 92.54 99.52 28.16 0.00 0.00
241
+ ATOM 241 C PTH 1 92.54 99.52 29.16 0.00 0.00
242
+ ATOM 242 C PTH 1 92.54 99.52 30.16 0.00 0.00
243
+ ATOM 243 C PTH 1 92.54 99.52 32.16 0.00 0.00
244
+ ATOM 244 C PTH 1 92.54 99.52 33.16 0.00 0.00
245
+ ATOM 245 C PTH 1 92.54 99.52 34.16 0.00 0.00
246
+ ATOM 246 C PTH 1 92.54 100.52 32.16 0.00 0.00
247
+ ATOM 247 C PTH 1 92.54 100.52 33.16 0.00 0.00
248
+ ATOM 248 C PTH 1 92.54 100.52 34.16 0.00 0.00
249
+ ATOM 249 C PTH 1 92.54 101.52 30.16 0.00 0.00
250
+ ATOM 250 C PTH 1 92.54 101.52 31.16 0.00 0.00
251
+ ATOM 251 C PTH 1 92.54 101.52 32.16 0.00 0.00
252
+ ATOM 252 C PTH 1 92.54 101.52 33.16 0.00 0.00
253
+ ATOM 253 C PTH 1 92.54 101.52 34.16 0.00 0.00
254
+ ATOM 254 C PTH 1 92.54 102.52 30.16 0.00 0.00
255
+ ATOM 255 C PTH 1 92.54 102.52 31.16 0.00 0.00
256
+ ATOM 256 C PTH 1 92.54 102.52 32.16 0.00 0.00
257
+ ATOM 257 C PTH 1 92.54 102.52 33.16 0.00 0.00
258
+ ATOM 258 C PTH 1 92.54 102.52 34.16 0.00 0.00
259
+ ATOM 259 C PTH 1 92.54 103.52 30.16 0.00 0.00
260
+ ATOM 260 C PTH 1 92.54 103.52 31.16 0.00 0.00
261
+ ATOM 261 C PTH 1 92.54 103.52 32.16 0.00 0.00
262
+ ATOM 262 C PTH 1 92.54 103.52 33.16 0.00 0.00
263
+ ATOM 263 C PTH 1 92.54 103.52 34.16 0.00 0.00
264
+ ATOM 264 C PTH 1 92.54 103.52 35.16 0.00 0.00
265
+ ATOM 265 C PTH 1 92.54 104.52 30.16 0.00 0.00
266
+ ATOM 266 C PTH 1 92.54 104.52 31.16 0.00 0.00
267
+ ATOM 267 C PTH 1 92.54 104.52 32.16 0.00 0.00
268
+ ATOM 268 C PTH 1 92.54 104.52 33.16 0.00 0.00
269
+ ATOM 269 C PTH 1 92.54 104.52 34.16 0.00 0.00
270
+ ATOM 270 C PTH 1 92.54 104.52 35.16 0.00 0.00
271
+ ATOM 271 C PTH 1 92.54 105.52 31.16 0.00 0.00
272
+ ATOM 272 C PTH 1 92.54 105.52 32.16 0.00 0.00
273
+ ATOM 273 C PTH 1 92.54 105.52 33.16 0.00 0.00
274
+ ATOM 274 C PTH 1 92.54 105.52 34.16 0.00 0.00
275
+ ATOM 275 C PTH 1 92.54 105.52 35.16 0.00 0.00
276
+ ATOM 276 C PTH 1 92.54 106.52 32.16 0.00 0.00
277
+ ATOM 277 C PTH 1 92.54 106.52 33.16 0.00 0.00
278
+ ATOM 278 C PTH 1 92.54 106.52 34.16 0.00 0.00
279
+ ATOM 279 C PTH 1 92.54 106.52 35.16 0.00 0.00
280
+ ATOM 280 C PTH 1 93.54 100.52 32.16 0.00 0.00
281
+ ATOM 281 C PTH 1 93.54 101.52 33.16 0.00 0.00
282
+ ATOM 282 C PTH 1 93.54 102.52 32.16 0.00 0.00
283
+ ATOM 283 C PTH 1 93.54 102.52 33.16 0.00 0.00
284
+ ATOM 284 C PTH 1 93.54 103.52 32.16 0.00 0.00
285
+ ATOM 285 C PTH 1 93.54 103.52 33.16 0.00 0.00
286
+ ATOM 286 C PTH 1 93.54 103.52 34.16 0.00 0.00
287
+ ATOM 287 C PTH 1 93.54 103.52 35.16 0.00 0.00
288
+ ATOM 288 C PTH 1 93.54 104.52 31.16 0.00 0.00
289
+ ATOM 289 C PTH 1 93.54 104.52 32.16 0.00 0.00
290
+ ATOM 290 C PTH 1 93.54 104.52 33.16 0.00 0.00
291
+ ATOM 291 C PTH 1 93.54 104.52 34.16 0.00 0.00
292
+ ATOM 292 C PTH 1 93.54 104.52 35.16 0.00 0.00
293
+ ATOM 293 C PTH 1 93.54 105.52 32.16 0.00 0.00
294
+ ATOM 294 C PTH 1 93.54 105.52 33.16 0.00 0.00
295
+ ATOM 295 C PTH 1 93.54 105.52 34.16 0.00 0.00
296
+ ATOM 296 C PTH 1 93.54 105.52 35.16 0.00 0.00
297
+ ATOM 297 C PTH 1 93.54 106.52 32.16 0.00 0.00
298
+ ATOM 298 C PTH 1 93.54 106.52 33.16 0.00 0.00
299
+ ATOM 299 C PTH 1 93.54 106.52 34.16 0.00 0.00
300
+ ATOM 300 C PTH 1 93.54 106.52 35.16 0.00 0.00
301
+ ATOM 301 C PTH 1 94.54 104.52 34.16 0.00 0.00
302
+ ATOM 302 C PTH 1 94.54 104.52 35.16 0.00 0.00
303
+ ATOM 303 C PTH 1 94.54 105.52 33.16 0.00 0.00
304
+ ATOM 304 C PTH 1 94.54 105.52 34.16 0.00 0.00
305
+ ATOM 305 C PTH 1 94.54 105.52 35.16 0.00 0.00
306
+ ATOM 306 C PTH 1 94.54 106.52 33.16 0.00 0.00
307
+ ATOM 307 C PTH 1 94.54 106.52 34.16 0.00 0.00
data/files/A0014/pocket_02.pdb ADDED
@@ -0,0 +1,259 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 78.54 72.52 24.16 0.00 0.00
2
+ ATOM 2 C PTH 1 78.54 73.52 23.16 0.00 0.00
3
+ ATOM 3 C PTH 1 78.54 73.52 24.16 0.00 0.00
4
+ ATOM 4 C PTH 1 78.54 73.52 25.16 0.00 0.00
5
+ ATOM 5 C PTH 1 78.54 74.52 23.16 0.00 0.00
6
+ ATOM 6 C PTH 1 78.54 74.52 24.16 0.00 0.00
7
+ ATOM 7 C PTH 1 79.54 72.52 23.16 0.00 0.00
8
+ ATOM 8 C PTH 1 79.54 72.52 24.16 0.00 0.00
9
+ ATOM 9 C PTH 1 79.54 72.52 25.16 0.00 0.00
10
+ ATOM 10 C PTH 1 79.54 73.52 23.16 0.00 0.00
11
+ ATOM 11 C PTH 1 79.54 73.52 24.16 0.00 0.00
12
+ ATOM 12 C PTH 1 79.54 73.52 25.16 0.00 0.00
13
+ ATOM 13 C PTH 1 79.54 74.52 22.16 0.00 0.00
14
+ ATOM 14 C PTH 1 79.54 74.52 23.16 0.00 0.00
15
+ ATOM 15 C PTH 1 79.54 74.52 24.16 0.00 0.00
16
+ ATOM 16 C PTH 1 79.54 74.52 25.16 0.00 0.00
17
+ ATOM 17 C PTH 1 79.54 75.52 22.16 0.00 0.00
18
+ ATOM 18 C PTH 1 79.54 75.52 23.16 0.00 0.00
19
+ ATOM 19 C PTH 1 79.54 75.52 24.16 0.00 0.00
20
+ ATOM 20 C PTH 1 79.54 75.52 25.16 0.00 0.00
21
+ ATOM 21 C PTH 1 79.54 76.52 22.16 0.00 0.00
22
+ ATOM 22 C PTH 1 79.54 76.52 23.16 0.00 0.00
23
+ ATOM 23 C PTH 1 79.54 76.52 24.16 0.00 0.00
24
+ ATOM 24 C PTH 1 79.54 76.52 25.16 0.00 0.00
25
+ ATOM 25 C PTH 1 80.54 73.52 23.16 0.00 0.00
26
+ ATOM 26 C PTH 1 80.54 73.52 24.16 0.00 0.00
27
+ ATOM 27 C PTH 1 80.54 73.52 25.16 0.00 0.00
28
+ ATOM 28 C PTH 1 80.54 74.52 22.16 0.00 0.00
29
+ ATOM 29 C PTH 1 80.54 74.52 23.16 0.00 0.00
30
+ ATOM 30 C PTH 1 80.54 74.52 24.16 0.00 0.00
31
+ ATOM 31 C PTH 1 80.54 74.52 25.16 0.00 0.00
32
+ ATOM 32 C PTH 1 80.54 75.52 22.16 0.00 0.00
33
+ ATOM 33 C PTH 1 80.54 75.52 23.16 0.00 0.00
34
+ ATOM 34 C PTH 1 80.54 75.52 24.16 0.00 0.00
35
+ ATOM 35 C PTH 1 80.54 75.52 25.16 0.00 0.00
36
+ ATOM 36 C PTH 1 80.54 76.52 22.16 0.00 0.00
37
+ ATOM 37 C PTH 1 80.54 76.52 23.16 0.00 0.00
38
+ ATOM 38 C PTH 1 80.54 76.52 24.16 0.00 0.00
39
+ ATOM 39 C PTH 1 80.54 76.52 25.16 0.00 0.00
40
+ ATOM 40 C PTH 1 80.54 77.52 22.16 0.00 0.00
41
+ ATOM 41 C PTH 1 80.54 77.52 23.16 0.00 0.00
42
+ ATOM 42 C PTH 1 80.54 77.52 24.16 0.00 0.00
43
+ ATOM 43 C PTH 1 80.54 77.52 25.16 0.00 0.00
44
+ ATOM 44 C PTH 1 80.54 78.52 22.16 0.00 0.00
45
+ ATOM 45 C PTH 1 80.54 78.52 23.16 0.00 0.00
46
+ ATOM 46 C PTH 1 80.54 78.52 24.16 0.00 0.00
47
+ ATOM 47 C PTH 1 80.54 79.52 23.16 0.00 0.00
48
+ ATOM 48 C PTH 1 81.54 73.52 23.16 0.00 0.00
49
+ ATOM 49 C PTH 1 81.54 73.52 24.16 0.00 0.00
50
+ ATOM 50 C PTH 1 81.54 73.52 25.16 0.00 0.00
51
+ ATOM 51 C PTH 1 81.54 74.52 22.16 0.00 0.00
52
+ ATOM 52 C PTH 1 81.54 74.52 23.16 0.00 0.00
53
+ ATOM 53 C PTH 1 81.54 74.52 24.16 0.00 0.00
54
+ ATOM 54 C PTH 1 81.54 74.52 25.16 0.00 0.00
55
+ ATOM 55 C PTH 1 81.54 75.52 22.16 0.00 0.00
56
+ ATOM 56 C PTH 1 81.54 75.52 23.16 0.00 0.00
57
+ ATOM 57 C PTH 1 81.54 75.52 24.16 0.00 0.00
58
+ ATOM 58 C PTH 1 81.54 75.52 25.16 0.00 0.00
59
+ ATOM 59 C PTH 1 81.54 76.52 21.16 0.00 0.00
60
+ ATOM 60 C PTH 1 81.54 76.52 22.16 0.00 0.00
61
+ ATOM 61 C PTH 1 81.54 76.52 23.16 0.00 0.00
62
+ ATOM 62 C PTH 1 81.54 76.52 24.16 0.00 0.00
63
+ ATOM 63 C PTH 1 81.54 76.52 25.16 0.00 0.00
64
+ ATOM 64 C PTH 1 81.54 77.52 21.16 0.00 0.00
65
+ ATOM 65 C PTH 1 81.54 77.52 22.16 0.00 0.00
66
+ ATOM 66 C PTH 1 81.54 77.52 23.16 0.00 0.00
67
+ ATOM 67 C PTH 1 81.54 77.52 24.16 0.00 0.00
68
+ ATOM 68 C PTH 1 81.54 77.52 25.16 0.00 0.00
69
+ ATOM 69 C PTH 1 81.54 78.52 22.16 0.00 0.00
70
+ ATOM 70 C PTH 1 81.54 78.52 23.16 0.00 0.00
71
+ ATOM 71 C PTH 1 81.54 78.52 24.16 0.00 0.00
72
+ ATOM 72 C PTH 1 81.54 79.52 22.16 0.00 0.00
73
+ ATOM 73 C PTH 1 81.54 79.52 23.16 0.00 0.00
74
+ ATOM 74 C PTH 1 81.54 79.52 24.16 0.00 0.00
75
+ ATOM 75 C PTH 1 82.54 73.52 23.16 0.00 0.00
76
+ ATOM 76 C PTH 1 82.54 73.52 24.16 0.00 0.00
77
+ ATOM 77 C PTH 1 82.54 73.52 25.16 0.00 0.00
78
+ ATOM 78 C PTH 1 82.54 74.52 22.16 0.00 0.00
79
+ ATOM 79 C PTH 1 82.54 74.52 23.16 0.00 0.00
80
+ ATOM 80 C PTH 1 82.54 74.52 24.16 0.00 0.00
81
+ ATOM 81 C PTH 1 82.54 74.52 25.16 0.00 0.00
82
+ ATOM 82 C PTH 1 82.54 75.52 22.16 0.00 0.00
83
+ ATOM 83 C PTH 1 82.54 75.52 23.16 0.00 0.00
84
+ ATOM 84 C PTH 1 82.54 75.52 24.16 0.00 0.00
85
+ ATOM 85 C PTH 1 82.54 75.52 25.16 0.00 0.00
86
+ ATOM 86 C PTH 1 82.54 76.52 21.16 0.00 0.00
87
+ ATOM 87 C PTH 1 82.54 76.52 22.16 0.00 0.00
88
+ ATOM 88 C PTH 1 82.54 76.52 23.16 0.00 0.00
89
+ ATOM 89 C PTH 1 82.54 76.52 24.16 0.00 0.00
90
+ ATOM 90 C PTH 1 82.54 76.52 25.16 0.00 0.00
91
+ ATOM 91 C PTH 1 82.54 77.52 21.16 0.00 0.00
92
+ ATOM 92 C PTH 1 82.54 77.52 22.16 0.00 0.00
93
+ ATOM 93 C PTH 1 82.54 77.52 23.16 0.00 0.00
94
+ ATOM 94 C PTH 1 82.54 77.52 24.16 0.00 0.00
95
+ ATOM 95 C PTH 1 82.54 77.52 25.16 0.00 0.00
96
+ ATOM 96 C PTH 1 82.54 78.52 21.16 0.00 0.00
97
+ ATOM 97 C PTH 1 82.54 78.52 22.16 0.00 0.00
98
+ ATOM 98 C PTH 1 82.54 78.52 23.16 0.00 0.00
99
+ ATOM 99 C PTH 1 82.54 78.52 24.16 0.00 0.00
100
+ ATOM 100 C PTH 1 82.54 79.52 21.16 0.00 0.00
101
+ ATOM 101 C PTH 1 82.54 79.52 22.16 0.00 0.00
102
+ ATOM 102 C PTH 1 82.54 79.52 23.16 0.00 0.00
103
+ ATOM 103 C PTH 1 83.54 73.52 22.16 0.00 0.00
104
+ ATOM 104 C PTH 1 83.54 73.52 23.16 0.00 0.00
105
+ ATOM 105 C PTH 1 83.54 73.52 24.16 0.00 0.00
106
+ ATOM 106 C PTH 1 83.54 73.52 25.16 0.00 0.00
107
+ ATOM 107 C PTH 1 83.54 74.52 22.16 0.00 0.00
108
+ ATOM 108 C PTH 1 83.54 74.52 23.16 0.00 0.00
109
+ ATOM 109 C PTH 1 83.54 74.52 24.16 0.00 0.00
110
+ ATOM 110 C PTH 1 83.54 74.52 25.16 0.00 0.00
111
+ ATOM 111 C PTH 1 83.54 75.52 21.16 0.00 0.00
112
+ ATOM 112 C PTH 1 83.54 75.52 22.16 0.00 0.00
113
+ ATOM 113 C PTH 1 83.54 75.52 23.16 0.00 0.00
114
+ ATOM 114 C PTH 1 83.54 75.52 24.16 0.00 0.00
115
+ ATOM 115 C PTH 1 83.54 75.52 25.16 0.00 0.00
116
+ ATOM 116 C PTH 1 83.54 76.52 21.16 0.00 0.00
117
+ ATOM 117 C PTH 1 83.54 76.52 22.16 0.00 0.00
118
+ ATOM 118 C PTH 1 83.54 76.52 23.16 0.00 0.00
119
+ ATOM 119 C PTH 1 83.54 76.52 24.16 0.00 0.00
120
+ ATOM 120 C PTH 1 83.54 76.52 25.16 0.00 0.00
121
+ ATOM 121 C PTH 1 83.54 77.52 20.16 0.00 0.00
122
+ ATOM 122 C PTH 1 83.54 77.52 21.16 0.00 0.00
123
+ ATOM 123 C PTH 1 83.54 77.52 22.16 0.00 0.00
124
+ ATOM 124 C PTH 1 83.54 77.52 23.16 0.00 0.00
125
+ ATOM 125 C PTH 1 83.54 77.52 24.16 0.00 0.00
126
+ ATOM 126 C PTH 1 83.54 77.52 25.16 0.00 0.00
127
+ ATOM 127 C PTH 1 83.54 78.52 20.16 0.00 0.00
128
+ ATOM 128 C PTH 1 83.54 78.52 21.16 0.00 0.00
129
+ ATOM 129 C PTH 1 83.54 78.52 22.16 0.00 0.00
130
+ ATOM 130 C PTH 1 83.54 78.52 23.16 0.00 0.00
131
+ ATOM 131 C PTH 1 83.54 79.52 20.16 0.00 0.00
132
+ ATOM 132 C PTH 1 83.54 79.52 21.16 0.00 0.00
133
+ ATOM 133 C PTH 1 83.54 79.52 22.16 0.00 0.00
134
+ ATOM 134 C PTH 1 84.54 73.52 22.16 0.00 0.00
135
+ ATOM 135 C PTH 1 84.54 73.52 23.16 0.00 0.00
136
+ ATOM 136 C PTH 1 84.54 73.52 24.16 0.00 0.00
137
+ ATOM 137 C PTH 1 84.54 74.52 21.16 0.00 0.00
138
+ ATOM 138 C PTH 1 84.54 74.52 22.16 0.00 0.00
139
+ ATOM 139 C PTH 1 84.54 74.52 23.16 0.00 0.00
140
+ ATOM 140 C PTH 1 84.54 74.52 24.16 0.00 0.00
141
+ ATOM 141 C PTH 1 84.54 74.52 25.16 0.00 0.00
142
+ ATOM 142 C PTH 1 84.54 75.52 21.16 0.00 0.00
143
+ ATOM 143 C PTH 1 84.54 75.52 22.16 0.00 0.00
144
+ ATOM 144 C PTH 1 84.54 75.52 23.16 0.00 0.00
145
+ ATOM 145 C PTH 1 84.54 75.52 24.16 0.00 0.00
146
+ ATOM 146 C PTH 1 84.54 75.52 25.16 0.00 0.00
147
+ ATOM 147 C PTH 1 84.54 76.52 20.16 0.00 0.00
148
+ ATOM 148 C PTH 1 84.54 76.52 21.16 0.00 0.00
149
+ ATOM 149 C PTH 1 84.54 76.52 22.16 0.00 0.00
150
+ ATOM 150 C PTH 1 84.54 76.52 23.16 0.00 0.00
151
+ ATOM 151 C PTH 1 84.54 76.52 24.16 0.00 0.00
152
+ ATOM 152 C PTH 1 84.54 76.52 25.16 0.00 0.00
153
+ ATOM 153 C PTH 1 84.54 77.52 20.16 0.00 0.00
154
+ ATOM 154 C PTH 1 84.54 77.52 21.16 0.00 0.00
155
+ ATOM 155 C PTH 1 84.54 77.52 22.16 0.00 0.00
156
+ ATOM 156 C PTH 1 84.54 77.52 23.16 0.00 0.00
157
+ ATOM 157 C PTH 1 84.54 77.52 24.16 0.00 0.00
158
+ ATOM 158 C PTH 1 84.54 77.52 25.16 0.00 0.00
159
+ ATOM 159 C PTH 1 84.54 78.52 20.16 0.00 0.00
160
+ ATOM 160 C PTH 1 84.54 78.52 21.16 0.00 0.00
161
+ ATOM 161 C PTH 1 84.54 78.52 22.16 0.00 0.00
162
+ ATOM 162 C PTH 1 84.54 78.52 23.16 0.00 0.00
163
+ ATOM 163 C PTH 1 84.54 78.52 24.16 0.00 0.00
164
+ ATOM 164 C PTH 1 84.54 79.52 20.16 0.00 0.00
165
+ ATOM 165 C PTH 1 84.54 79.52 21.16 0.00 0.00
166
+ ATOM 166 C PTH 1 84.54 79.52 22.16 0.00 0.00
167
+ ATOM 167 C PTH 1 84.54 79.52 23.16 0.00 0.00
168
+ ATOM 168 C PTH 1 85.54 74.52 21.16 0.00 0.00
169
+ ATOM 169 C PTH 1 85.54 74.52 22.16 0.00 0.00
170
+ ATOM 170 C PTH 1 85.54 74.52 23.16 0.00 0.00
171
+ ATOM 171 C PTH 1 85.54 74.52 24.16 0.00 0.00
172
+ ATOM 172 C PTH 1 85.54 74.52 25.16 0.00 0.00
173
+ ATOM 173 C PTH 1 85.54 75.52 21.16 0.00 0.00
174
+ ATOM 174 C PTH 1 85.54 75.52 22.16 0.00 0.00
175
+ ATOM 175 C PTH 1 85.54 75.52 23.16 0.00 0.00
176
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177
+ ATOM 177 C PTH 1 85.54 75.52 25.16 0.00 0.00
178
+ ATOM 178 C PTH 1 85.54 76.52 20.16 0.00 0.00
179
+ ATOM 179 C PTH 1 85.54 76.52 21.16 0.00 0.00
180
+ ATOM 180 C PTH 1 85.54 76.52 22.16 0.00 0.00
181
+ ATOM 181 C PTH 1 85.54 76.52 23.16 0.00 0.00
182
+ ATOM 182 C PTH 1 85.54 76.52 24.16 0.00 0.00
183
+ ATOM 183 C PTH 1 85.54 76.52 25.16 0.00 0.00
184
+ ATOM 184 C PTH 1 85.54 77.52 20.16 0.00 0.00
185
+ ATOM 185 C PTH 1 85.54 77.52 21.16 0.00 0.00
186
+ ATOM 186 C PTH 1 85.54 77.52 22.16 0.00 0.00
187
+ ATOM 187 C PTH 1 85.54 77.52 23.16 0.00 0.00
188
+ ATOM 188 C PTH 1 85.54 77.52 24.16 0.00 0.00
189
+ ATOM 189 C PTH 1 85.54 77.52 25.16 0.00 0.00
190
+ ATOM 190 C PTH 1 85.54 78.52 20.16 0.00 0.00
191
+ ATOM 191 C PTH 1 85.54 78.52 21.16 0.00 0.00
192
+ ATOM 192 C PTH 1 85.54 78.52 22.16 0.00 0.00
193
+ ATOM 193 C PTH 1 85.54 78.52 23.16 0.00 0.00
194
+ ATOM 194 C PTH 1 85.54 78.52 24.16 0.00 0.00
195
+ ATOM 195 C PTH 1 85.54 79.52 20.16 0.00 0.00
196
+ ATOM 196 C PTH 1 85.54 79.52 21.16 0.00 0.00
197
+ ATOM 197 C PTH 1 85.54 79.52 22.16 0.00 0.00
198
+ ATOM 198 C PTH 1 85.54 79.52 23.16 0.00 0.00
199
+ ATOM 199 C PTH 1 86.54 74.52 21.16 0.00 0.00
200
+ ATOM 200 C PTH 1 86.54 74.52 22.16 0.00 0.00
201
+ ATOM 201 C PTH 1 86.54 74.52 23.16 0.00 0.00
202
+ ATOM 202 C PTH 1 86.54 74.52 24.16 0.00 0.00
203
+ ATOM 203 C PTH 1 86.54 74.52 25.16 0.00 0.00
204
+ ATOM 204 C PTH 1 86.54 75.52 21.16 0.00 0.00
205
+ ATOM 205 C PTH 1 86.54 75.52 22.16 0.00 0.00
206
+ ATOM 206 C PTH 1 86.54 75.52 23.16 0.00 0.00
207
+ ATOM 207 C PTH 1 86.54 75.52 24.16 0.00 0.00
208
+ ATOM 208 C PTH 1 86.54 75.52 25.16 0.00 0.00
209
+ ATOM 209 C PTH 1 86.54 76.52 20.16 0.00 0.00
210
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211
+ ATOM 211 C PTH 1 86.54 76.52 22.16 0.00 0.00
212
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213
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214
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215
+ ATOM 215 C PTH 1 86.54 77.52 20.16 0.00 0.00
216
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217
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218
+ ATOM 218 C PTH 1 86.54 77.52 23.16 0.00 0.00
219
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220
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221
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222
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223
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224
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225
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226
+ ATOM 226 C PTH 1 86.54 79.52 20.16 0.00 0.00
227
+ ATOM 227 C PTH 1 86.54 79.52 21.16 0.00 0.00
228
+ ATOM 228 C PTH 1 86.54 79.52 22.16 0.00 0.00
229
+ ATOM 229 C PTH 1 86.54 79.52 23.16 0.00 0.00
230
+ ATOM 230 C PTH 1 87.54 74.52 21.16 0.00 0.00
231
+ ATOM 231 C PTH 1 87.54 74.52 22.16 0.00 0.00
232
+ ATOM 232 C PTH 1 87.54 74.52 23.16 0.00 0.00
233
+ ATOM 233 C PTH 1 87.54 74.52 24.16 0.00 0.00
234
+ ATOM 234 C PTH 1 87.54 75.52 21.16 0.00 0.00
235
+ ATOM 235 C PTH 1 87.54 75.52 22.16 0.00 0.00
236
+ ATOM 236 C PTH 1 87.54 75.52 23.16 0.00 0.00
237
+ ATOM 237 C PTH 1 87.54 75.52 24.16 0.00 0.00
238
+ ATOM 238 C PTH 1 87.54 76.52 20.16 0.00 0.00
239
+ ATOM 239 C PTH 1 87.54 76.52 21.16 0.00 0.00
240
+ ATOM 240 C PTH 1 87.54 76.52 22.16 0.00 0.00
241
+ ATOM 241 C PTH 1 87.54 76.52 23.16 0.00 0.00
242
+ ATOM 242 C PTH 1 87.54 76.52 24.16 0.00 0.00
243
+ ATOM 243 C PTH 1 87.54 77.52 20.16 0.00 0.00
244
+ ATOM 244 C PTH 1 87.54 77.52 21.16 0.00 0.00
245
+ ATOM 245 C PTH 1 87.54 77.52 22.16 0.00 0.00
246
+ ATOM 246 C PTH 1 87.54 77.52 23.16 0.00 0.00
247
+ ATOM 247 C PTH 1 87.54 77.52 24.16 0.00 0.00
248
+ ATOM 248 C PTH 1 87.54 78.52 20.16 0.00 0.00
249
+ ATOM 249 C PTH 1 87.54 78.52 21.16 0.00 0.00
250
+ ATOM 250 C PTH 1 87.54 78.52 22.16 0.00 0.00
251
+ ATOM 251 C PTH 1 87.54 78.52 23.16 0.00 0.00
252
+ ATOM 252 C PTH 1 87.54 78.52 24.16 0.00 0.00
253
+ ATOM 253 C PTH 1 87.54 79.52 20.16 0.00 0.00
254
+ ATOM 254 C PTH 1 87.54 79.52 21.16 0.00 0.00
255
+ ATOM 255 C PTH 1 87.54 79.52 22.16 0.00 0.00
256
+ ATOM 256 C PTH 1 87.54 79.52 23.16 0.00 0.00
257
+ ATOM 257 C PTH 1 88.54 75.52 22.16 0.00 0.00
258
+ ATOM 258 C PTH 1 88.54 76.52 22.16 0.00 0.00
259
+ ATOM 259 C PTH 1 88.54 76.52 23.16 0.00 0.00
data/files/A0014/pocket_03.pdb ADDED
@@ -0,0 +1,229 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 66.54 86.52 33.16 0.00 0.00
2
+ ATOM 2 C PTH 1 66.54 86.52 34.16 0.00 0.00
3
+ ATOM 3 C PTH 1 66.54 87.52 33.16 0.00 0.00
4
+ ATOM 4 C PTH 1 66.54 87.52 34.16 0.00 0.00
5
+ ATOM 5 C PTH 1 66.54 87.52 35.16 0.00 0.00
6
+ ATOM 6 C PTH 1 66.54 87.52 36.16 0.00 0.00
7
+ ATOM 7 C PTH 1 66.54 88.52 33.16 0.00 0.00
8
+ ATOM 8 C PTH 1 66.54 88.52 34.16 0.00 0.00
9
+ ATOM 9 C PTH 1 66.54 88.52 35.16 0.00 0.00
10
+ ATOM 10 C PTH 1 66.54 88.52 36.16 0.00 0.00
11
+ ATOM 11 C PTH 1 66.54 89.52 34.16 0.00 0.00
12
+ ATOM 12 C PTH 1 66.54 89.52 35.16 0.00 0.00
13
+ ATOM 13 C PTH 1 66.54 89.52 36.16 0.00 0.00
14
+ ATOM 14 C PTH 1 67.54 86.52 32.16 0.00 0.00
15
+ ATOM 15 C PTH 1 67.54 86.52 33.16 0.00 0.00
16
+ ATOM 16 C PTH 1 67.54 86.52 34.16 0.00 0.00
17
+ ATOM 17 C PTH 1 67.54 87.52 32.16 0.00 0.00
18
+ ATOM 18 C PTH 1 67.54 87.52 33.16 0.00 0.00
19
+ ATOM 19 C PTH 1 67.54 87.52 34.16 0.00 0.00
20
+ ATOM 20 C PTH 1 67.54 87.52 35.16 0.00 0.00
21
+ ATOM 21 C PTH 1 67.54 87.52 36.16 0.00 0.00
22
+ ATOM 22 C PTH 1 67.54 88.52 31.16 0.00 0.00
23
+ ATOM 23 C PTH 1 67.54 88.52 32.16 0.00 0.00
24
+ ATOM 24 C PTH 1 67.54 88.52 33.16 0.00 0.00
25
+ ATOM 25 C PTH 1 67.54 88.52 34.16 0.00 0.00
26
+ ATOM 26 C PTH 1 67.54 88.52 35.16 0.00 0.00
27
+ ATOM 27 C PTH 1 67.54 88.52 36.16 0.00 0.00
28
+ ATOM 28 C PTH 1 67.54 88.52 37.16 0.00 0.00
29
+ ATOM 29 C PTH 1 67.54 89.52 29.16 0.00 0.00
30
+ ATOM 30 C PTH 1 67.54 89.52 31.16 0.00 0.00
31
+ ATOM 31 C PTH 1 67.54 89.52 32.16 0.00 0.00
32
+ ATOM 32 C PTH 1 67.54 89.52 33.16 0.00 0.00
33
+ ATOM 33 C PTH 1 67.54 89.52 34.16 0.00 0.00
34
+ ATOM 34 C PTH 1 67.54 89.52 35.16 0.00 0.00
35
+ ATOM 35 C PTH 1 67.54 89.52 36.16 0.00 0.00
36
+ ATOM 36 C PTH 1 67.54 89.52 37.16 0.00 0.00
37
+ ATOM 37 C PTH 1 67.54 90.52 29.16 0.00 0.00
38
+ ATOM 38 C PTH 1 67.54 90.52 30.16 0.00 0.00
39
+ ATOM 39 C PTH 1 67.54 90.52 31.16 0.00 0.00
40
+ ATOM 40 C PTH 1 67.54 91.52 29.16 0.00 0.00
41
+ ATOM 41 C PTH 1 67.54 91.52 30.16 0.00 0.00
42
+ ATOM 42 C PTH 1 68.54 86.52 32.16 0.00 0.00
43
+ ATOM 43 C PTH 1 68.54 86.52 33.16 0.00 0.00
44
+ ATOM 44 C PTH 1 68.54 86.52 34.16 0.00 0.00
45
+ ATOM 45 C PTH 1 68.54 87.52 32.16 0.00 0.00
46
+ ATOM 46 C PTH 1 68.54 87.52 33.16 0.00 0.00
47
+ ATOM 47 C PTH 1 68.54 87.52 34.16 0.00 0.00
48
+ ATOM 48 C PTH 1 68.54 87.52 35.16 0.00 0.00
49
+ ATOM 49 C PTH 1 68.54 88.52 30.16 0.00 0.00
50
+ ATOM 50 C PTH 1 68.54 88.52 31.16 0.00 0.00
51
+ ATOM 51 C PTH 1 68.54 88.52 32.16 0.00 0.00
52
+ ATOM 52 C PTH 1 68.54 88.52 33.16 0.00 0.00
53
+ ATOM 53 C PTH 1 68.54 88.52 34.16 0.00 0.00
54
+ ATOM 54 C PTH 1 68.54 88.52 35.16 0.00 0.00
55
+ ATOM 55 C PTH 1 68.54 88.52 36.16 0.00 0.00
56
+ ATOM 56 C PTH 1 68.54 88.52 37.16 0.00 0.00
57
+ ATOM 57 C PTH 1 68.54 89.52 29.16 0.00 0.00
58
+ ATOM 58 C PTH 1 68.54 89.52 30.16 0.00 0.00
59
+ ATOM 59 C PTH 1 68.54 89.52 31.16 0.00 0.00
60
+ ATOM 60 C PTH 1 68.54 89.52 32.16 0.00 0.00
61
+ ATOM 61 C PTH 1 68.54 89.52 33.16 0.00 0.00
62
+ ATOM 62 C PTH 1 68.54 89.52 34.16 0.00 0.00
63
+ ATOM 63 C PTH 1 68.54 89.52 35.16 0.00 0.00
64
+ ATOM 64 C PTH 1 68.54 89.52 36.16 0.00 0.00
65
+ ATOM 65 C PTH 1 68.54 89.52 37.16 0.00 0.00
66
+ ATOM 66 C PTH 1 68.54 90.52 29.16 0.00 0.00
67
+ ATOM 67 C PTH 1 68.54 90.52 30.16 0.00 0.00
68
+ ATOM 68 C PTH 1 68.54 90.52 31.16 0.00 0.00
69
+ ATOM 69 C PTH 1 68.54 90.52 32.16 0.00 0.00
70
+ ATOM 70 C PTH 1 68.54 90.52 33.16 0.00 0.00
71
+ ATOM 71 C PTH 1 68.54 90.52 34.16 0.00 0.00
72
+ ATOM 72 C PTH 1 68.54 90.52 35.16 0.00 0.00
73
+ ATOM 73 C PTH 1 68.54 90.52 36.16 0.00 0.00
74
+ ATOM 74 C PTH 1 68.54 90.52 37.16 0.00 0.00
75
+ ATOM 75 C PTH 1 68.54 91.52 29.16 0.00 0.00
76
+ ATOM 76 C PTH 1 68.54 91.52 30.16 0.00 0.00
77
+ ATOM 77 C PTH 1 69.54 86.52 33.16 0.00 0.00
78
+ ATOM 78 C PTH 1 69.54 87.52 32.16 0.00 0.00
79
+ ATOM 79 C PTH 1 69.54 87.52 33.16 0.00 0.00
80
+ ATOM 80 C PTH 1 69.54 87.52 34.16 0.00 0.00
81
+ ATOM 81 C PTH 1 69.54 87.52 35.16 0.00 0.00
82
+ ATOM 82 C PTH 1 69.54 88.52 29.16 0.00 0.00
83
+ ATOM 83 C PTH 1 69.54 88.52 30.16 0.00 0.00
84
+ ATOM 84 C PTH 1 69.54 88.52 31.16 0.00 0.00
85
+ ATOM 85 C PTH 1 69.54 88.52 32.16 0.00 0.00
86
+ ATOM 86 C PTH 1 69.54 88.52 33.16 0.00 0.00
87
+ ATOM 87 C PTH 1 69.54 88.52 34.16 0.00 0.00
88
+ ATOM 88 C PTH 1 69.54 88.52 35.16 0.00 0.00
89
+ ATOM 89 C PTH 1 69.54 88.52 36.16 0.00 0.00
90
+ ATOM 90 C PTH 1 69.54 88.52 37.16 0.00 0.00
91
+ ATOM 91 C PTH 1 69.54 89.52 29.16 0.00 0.00
92
+ ATOM 92 C PTH 1 69.54 89.52 30.16 0.00 0.00
93
+ ATOM 93 C PTH 1 69.54 89.52 31.16 0.00 0.00
94
+ ATOM 94 C PTH 1 69.54 89.52 32.16 0.00 0.00
95
+ ATOM 95 C PTH 1 69.54 89.52 33.16 0.00 0.00
96
+ ATOM 96 C PTH 1 69.54 89.52 34.16 0.00 0.00
97
+ ATOM 97 C PTH 1 69.54 89.52 35.16 0.00 0.00
98
+ ATOM 98 C PTH 1 69.54 89.52 36.16 0.00 0.00
99
+ ATOM 99 C PTH 1 69.54 89.52 37.16 0.00 0.00
100
+ ATOM 100 C PTH 1 69.54 89.52 38.16 0.00 0.00
101
+ ATOM 101 C PTH 1 69.54 90.52 29.16 0.00 0.00
102
+ ATOM 102 C PTH 1 69.54 90.52 30.16 0.00 0.00
103
+ ATOM 103 C PTH 1 69.54 90.52 31.16 0.00 0.00
104
+ ATOM 104 C PTH 1 69.54 90.52 32.16 0.00 0.00
105
+ ATOM 105 C PTH 1 69.54 90.52 33.16 0.00 0.00
106
+ ATOM 106 C PTH 1 69.54 90.52 34.16 0.00 0.00
107
+ ATOM 107 C PTH 1 69.54 90.52 35.16 0.00 0.00
108
+ ATOM 108 C PTH 1 69.54 90.52 36.16 0.00 0.00
109
+ ATOM 109 C PTH 1 69.54 90.52 37.16 0.00 0.00
110
+ ATOM 110 C PTH 1 69.54 90.52 38.16 0.00 0.00
111
+ ATOM 111 C PTH 1 69.54 91.52 29.16 0.00 0.00
112
+ ATOM 112 C PTH 1 69.54 91.52 35.16 0.00 0.00
113
+ ATOM 113 C PTH 1 69.54 91.52 36.16 0.00 0.00
114
+ ATOM 114 C PTH 1 69.54 91.52 37.16 0.00 0.00
115
+ ATOM 115 C PTH 1 69.54 91.52 38.16 0.00 0.00
116
+ ATOM 116 C PTH 1 70.54 87.52 33.16 0.00 0.00
117
+ ATOM 117 C PTH 1 70.54 87.52 34.16 0.00 0.00
118
+ ATOM 118 C PTH 1 70.54 87.52 35.16 0.00 0.00
119
+ ATOM 119 C PTH 1 70.54 88.52 30.16 0.00 0.00
120
+ ATOM 120 C PTH 1 70.54 88.52 31.16 0.00 0.00
121
+ ATOM 121 C PTH 1 70.54 88.52 32.16 0.00 0.00
122
+ ATOM 122 C PTH 1 70.54 88.52 33.16 0.00 0.00
123
+ ATOM 123 C PTH 1 70.54 88.52 34.16 0.00 0.00
124
+ ATOM 124 C PTH 1 70.54 88.52 35.16 0.00 0.00
125
+ ATOM 125 C PTH 1 70.54 88.52 36.16 0.00 0.00
126
+ ATOM 126 C PTH 1 70.54 88.52 37.16 0.00 0.00
127
+ ATOM 127 C PTH 1 70.54 89.52 30.16 0.00 0.00
128
+ ATOM 128 C PTH 1 70.54 89.52 31.16 0.00 0.00
129
+ ATOM 129 C PTH 1 70.54 89.52 32.16 0.00 0.00
130
+ ATOM 130 C PTH 1 70.54 89.52 33.16 0.00 0.00
131
+ ATOM 131 C PTH 1 70.54 89.52 34.16 0.00 0.00
132
+ ATOM 132 C PTH 1 70.54 89.52 35.16 0.00 0.00
133
+ ATOM 133 C PTH 1 70.54 89.52 36.16 0.00 0.00
134
+ ATOM 134 C PTH 1 70.54 89.52 37.16 0.00 0.00
135
+ ATOM 135 C PTH 1 70.54 89.52 38.16 0.00 0.00
136
+ ATOM 136 C PTH 1 70.54 90.52 30.16 0.00 0.00
137
+ ATOM 137 C PTH 1 70.54 90.52 31.16 0.00 0.00
138
+ ATOM 138 C PTH 1 70.54 90.52 32.16 0.00 0.00
139
+ ATOM 139 C PTH 1 70.54 90.52 33.16 0.00 0.00
140
+ ATOM 140 C PTH 1 70.54 90.52 34.16 0.00 0.00
141
+ ATOM 141 C PTH 1 70.54 90.52 35.16 0.00 0.00
142
+ ATOM 142 C PTH 1 70.54 90.52 36.16 0.00 0.00
143
+ ATOM 143 C PTH 1 70.54 90.52 37.16 0.00 0.00
144
+ ATOM 144 C PTH 1 70.54 90.52 38.16 0.00 0.00
145
+ ATOM 145 C PTH 1 70.54 90.52 39.16 0.00 0.00
146
+ ATOM 146 C PTH 1 70.54 91.52 33.16 0.00 0.00
147
+ ATOM 147 C PTH 1 70.54 91.52 34.16 0.00 0.00
148
+ ATOM 148 C PTH 1 70.54 91.52 35.16 0.00 0.00
149
+ ATOM 149 C PTH 1 70.54 91.52 36.16 0.00 0.00
150
+ ATOM 150 C PTH 1 70.54 91.52 37.16 0.00 0.00
151
+ ATOM 151 C PTH 1 70.54 91.52 38.16 0.00 0.00
152
+ ATOM 152 C PTH 1 70.54 91.52 39.16 0.00 0.00
153
+ ATOM 153 C PTH 1 70.54 92.52 36.16 0.00 0.00
154
+ ATOM 154 C PTH 1 70.54 92.52 37.16 0.00 0.00
155
+ ATOM 155 C PTH 1 70.54 92.52 38.16 0.00 0.00
156
+ ATOM 156 C PTH 1 71.54 88.52 33.16 0.00 0.00
157
+ ATOM 157 C PTH 1 71.54 88.52 34.16 0.00 0.00
158
+ ATOM 158 C PTH 1 71.54 88.52 35.16 0.00 0.00
159
+ ATOM 159 C PTH 1 71.54 88.52 36.16 0.00 0.00
160
+ ATOM 160 C PTH 1 71.54 88.52 37.16 0.00 0.00
161
+ ATOM 161 C PTH 1 71.54 89.52 31.16 0.00 0.00
162
+ ATOM 162 C PTH 1 71.54 89.52 32.16 0.00 0.00
163
+ ATOM 163 C PTH 1 71.54 89.52 33.16 0.00 0.00
164
+ ATOM 164 C PTH 1 71.54 89.52 34.16 0.00 0.00
165
+ ATOM 165 C PTH 1 71.54 89.52 35.16 0.00 0.00
166
+ ATOM 166 C PTH 1 71.54 89.52 36.16 0.00 0.00
167
+ ATOM 167 C PTH 1 71.54 89.52 37.16 0.00 0.00
168
+ ATOM 168 C PTH 1 71.54 89.52 38.16 0.00 0.00
169
+ ATOM 169 C PTH 1 71.54 90.52 31.16 0.00 0.00
170
+ ATOM 170 C PTH 1 71.54 90.52 32.16 0.00 0.00
171
+ ATOM 171 C PTH 1 71.54 90.52 33.16 0.00 0.00
172
+ ATOM 172 C PTH 1 71.54 90.52 34.16 0.00 0.00
173
+ ATOM 173 C PTH 1 71.54 90.52 35.16 0.00 0.00
174
+ ATOM 174 C PTH 1 71.54 90.52 36.16 0.00 0.00
175
+ ATOM 175 C PTH 1 71.54 90.52 37.16 0.00 0.00
176
+ ATOM 176 C PTH 1 71.54 90.52 38.16 0.00 0.00
177
+ ATOM 177 C PTH 1 71.54 91.52 33.16 0.00 0.00
178
+ ATOM 178 C PTH 1 71.54 91.52 34.16 0.00 0.00
179
+ ATOM 179 C PTH 1 71.54 91.52 35.16 0.00 0.00
180
+ ATOM 180 C PTH 1 71.54 91.52 36.16 0.00 0.00
181
+ ATOM 181 C PTH 1 71.54 91.52 37.16 0.00 0.00
182
+ ATOM 182 C PTH 1 71.54 91.52 38.16 0.00 0.00
183
+ ATOM 183 C PTH 1 71.54 91.52 39.16 0.00 0.00
184
+ ATOM 184 C PTH 1 71.54 92.52 35.16 0.00 0.00
185
+ ATOM 185 C PTH 1 71.54 92.52 36.16 0.00 0.00
186
+ ATOM 186 C PTH 1 71.54 92.52 37.16 0.00 0.00
187
+ ATOM 187 C PTH 1 71.54 92.52 38.16 0.00 0.00
188
+ ATOM 188 C PTH 1 72.54 88.52 34.16 0.00 0.00
189
+ ATOM 189 C PTH 1 72.54 88.52 35.16 0.00 0.00
190
+ ATOM 190 C PTH 1 72.54 88.52 36.16 0.00 0.00
191
+ ATOM 191 C PTH 1 72.54 89.52 32.16 0.00 0.00
192
+ ATOM 192 C PTH 1 72.54 89.52 33.16 0.00 0.00
193
+ ATOM 193 C PTH 1 72.54 89.52 34.16 0.00 0.00
194
+ ATOM 194 C PTH 1 72.54 89.52 35.16 0.00 0.00
195
+ ATOM 195 C PTH 1 72.54 89.52 36.16 0.00 0.00
196
+ ATOM 196 C PTH 1 72.54 89.52 37.16 0.00 0.00
197
+ ATOM 197 C PTH 1 72.54 89.52 38.16 0.00 0.00
198
+ ATOM 198 C PTH 1 72.54 90.52 32.16 0.00 0.00
199
+ ATOM 199 C PTH 1 72.54 90.52 33.16 0.00 0.00
200
+ ATOM 200 C PTH 1 72.54 90.52 34.16 0.00 0.00
201
+ ATOM 201 C PTH 1 72.54 90.52 35.16 0.00 0.00
202
+ ATOM 202 C PTH 1 72.54 90.52 36.16 0.00 0.00
203
+ ATOM 203 C PTH 1 72.54 90.52 37.16 0.00 0.00
204
+ ATOM 204 C PTH 1 72.54 90.52 38.16 0.00 0.00
205
+ ATOM 205 C PTH 1 72.54 90.52 39.16 0.00 0.00
206
+ ATOM 206 C PTH 1 72.54 91.52 32.16 0.00 0.00
207
+ ATOM 207 C PTH 1 72.54 91.52 33.16 0.00 0.00
208
+ ATOM 208 C PTH 1 72.54 91.52 34.16 0.00 0.00
209
+ ATOM 209 C PTH 1 72.54 91.52 35.16 0.00 0.00
210
+ ATOM 210 C PTH 1 72.54 91.52 36.16 0.00 0.00
211
+ ATOM 211 C PTH 1 72.54 91.52 37.16 0.00 0.00
212
+ ATOM 212 C PTH 1 72.54 91.52 38.16 0.00 0.00
213
+ ATOM 213 C PTH 1 72.54 91.52 39.16 0.00 0.00
214
+ ATOM 214 C PTH 1 72.54 92.52 35.16 0.00 0.00
215
+ ATOM 215 C PTH 1 72.54 92.52 36.16 0.00 0.00
216
+ ATOM 216 C PTH 1 72.54 92.52 37.16 0.00 0.00
217
+ ATOM 217 C PTH 1 72.54 92.52 38.16 0.00 0.00
218
+ ATOM 218 C PTH 1 72.54 92.52 39.16 0.00 0.00
219
+ ATOM 219 C PTH 1 73.54 89.52 32.16 0.00 0.00
220
+ ATOM 220 C PTH 1 73.54 90.52 32.16 0.00 0.00
221
+ ATOM 221 C PTH 1 73.54 90.52 33.16 0.00 0.00
222
+ ATOM 222 C PTH 1 73.54 90.52 36.16 0.00 0.00
223
+ ATOM 223 C PTH 1 73.54 90.52 37.16 0.00 0.00
224
+ ATOM 224 C PTH 1 73.54 91.52 37.16 0.00 0.00
225
+ ATOM 225 C PTH 1 73.54 91.52 38.16 0.00 0.00
226
+ ATOM 226 C PTH 1 73.54 92.52 36.16 0.00 0.00
227
+ ATOM 227 C PTH 1 73.54 92.52 37.16 0.00 0.00
228
+ ATOM 228 C PTH 1 73.54 92.52 38.16 0.00 0.00
229
+ ATOM 229 C PTH 1 73.54 92.52 39.16 0.00 0.00
data/files/A0014/pocket_04.pdb ADDED
@@ -0,0 +1,218 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 79.54 83.52 20.16 0.00 0.00
2
+ ATOM 2 C PTH 1 79.54 83.52 21.16 0.00 0.00
3
+ ATOM 3 C PTH 1 79.54 84.52 19.16 0.00 0.00
4
+ ATOM 4 C PTH 1 79.54 84.52 20.16 0.00 0.00
5
+ ATOM 5 C PTH 1 79.54 84.52 21.16 0.00 0.00
6
+ ATOM 6 C PTH 1 79.54 85.52 19.16 0.00 0.00
7
+ ATOM 7 C PTH 1 79.54 85.52 20.16 0.00 0.00
8
+ ATOM 8 C PTH 1 79.54 85.52 21.16 0.00 0.00
9
+ ATOM 9 C PTH 1 79.54 86.52 18.16 0.00 0.00
10
+ ATOM 10 C PTH 1 79.54 86.52 19.16 0.00 0.00
11
+ ATOM 11 C PTH 1 79.54 86.52 20.16 0.00 0.00
12
+ ATOM 12 C PTH 1 79.54 87.52 17.16 0.00 0.00
13
+ ATOM 13 C PTH 1 79.54 87.52 18.16 0.00 0.00
14
+ ATOM 14 C PTH 1 79.54 87.52 19.16 0.00 0.00
15
+ ATOM 15 C PTH 1 79.54 87.52 20.16 0.00 0.00
16
+ ATOM 16 C PTH 1 79.54 88.52 17.16 0.00 0.00
17
+ ATOM 17 C PTH 1 79.54 88.52 18.16 0.00 0.00
18
+ ATOM 18 C PTH 1 79.54 88.52 19.16 0.00 0.00
19
+ ATOM 19 C PTH 1 79.54 88.52 20.16 0.00 0.00
20
+ ATOM 20 C PTH 1 79.54 89.52 16.16 0.00 0.00
21
+ ATOM 21 C PTH 1 79.54 89.52 17.16 0.00 0.00
22
+ ATOM 22 C PTH 1 79.54 89.52 18.16 0.00 0.00
23
+ ATOM 23 C PTH 1 79.54 89.52 19.16 0.00 0.00
24
+ ATOM 24 C PTH 1 79.54 89.52 20.16 0.00 0.00
25
+ ATOM 25 C PTH 1 79.54 89.52 21.16 0.00 0.00
26
+ ATOM 26 C PTH 1 79.54 90.52 16.16 0.00 0.00
27
+ ATOM 27 C PTH 1 79.54 90.52 17.16 0.00 0.00
28
+ ATOM 28 C PTH 1 79.54 90.52 18.16 0.00 0.00
29
+ ATOM 29 C PTH 1 79.54 90.52 19.16 0.00 0.00
30
+ ATOM 30 C PTH 1 79.54 90.52 20.16 0.00 0.00
31
+ ATOM 31 C PTH 1 79.54 91.52 17.16 0.00 0.00
32
+ ATOM 32 C PTH 1 79.54 91.52 18.16 0.00 0.00
33
+ ATOM 33 C PTH 1 79.54 91.52 19.16 0.00 0.00
34
+ ATOM 34 C PTH 1 79.54 91.52 20.16 0.00 0.00
35
+ ATOM 35 C PTH 1 79.54 92.52 17.16 0.00 0.00
36
+ ATOM 36 C PTH 1 79.54 92.52 18.16 0.00 0.00
37
+ ATOM 37 C PTH 1 79.54 92.52 19.16 0.00 0.00
38
+ ATOM 38 C PTH 1 79.54 92.52 20.16 0.00 0.00
39
+ ATOM 39 C PTH 1 79.54 93.52 19.16 0.00 0.00
40
+ ATOM 40 C PTH 1 80.54 83.52 19.16 0.00 0.00
41
+ ATOM 41 C PTH 1 80.54 83.52 20.16 0.00 0.00
42
+ ATOM 42 C PTH 1 80.54 83.52 21.16 0.00 0.00
43
+ ATOM 43 C PTH 1 80.54 84.52 18.16 0.00 0.00
44
+ ATOM 44 C PTH 1 80.54 84.52 19.16 0.00 0.00
45
+ ATOM 45 C PTH 1 80.54 84.52 20.16 0.00 0.00
46
+ ATOM 46 C PTH 1 80.54 84.52 21.16 0.00 0.00
47
+ ATOM 47 C PTH 1 80.54 85.52 18.16 0.00 0.00
48
+ ATOM 48 C PTH 1 80.54 85.52 19.16 0.00 0.00
49
+ ATOM 49 C PTH 1 80.54 85.52 20.16 0.00 0.00
50
+ ATOM 50 C PTH 1 80.54 85.52 21.16 0.00 0.00
51
+ ATOM 51 C PTH 1 80.54 86.52 17.16 0.00 0.00
52
+ ATOM 52 C PTH 1 80.54 86.52 18.16 0.00 0.00
53
+ ATOM 53 C PTH 1 80.54 86.52 19.16 0.00 0.00
54
+ ATOM 54 C PTH 1 80.54 86.52 20.16 0.00 0.00
55
+ ATOM 55 C PTH 1 80.54 86.52 21.16 0.00 0.00
56
+ ATOM 56 C PTH 1 80.54 87.52 17.16 0.00 0.00
57
+ ATOM 57 C PTH 1 80.54 87.52 18.16 0.00 0.00
58
+ ATOM 58 C PTH 1 80.54 87.52 19.16 0.00 0.00
59
+ ATOM 59 C PTH 1 80.54 87.52 20.16 0.00 0.00
60
+ ATOM 60 C PTH 1 80.54 87.52 21.16 0.00 0.00
61
+ ATOM 61 C PTH 1 80.54 88.52 15.16 0.00 0.00
62
+ ATOM 62 C PTH 1 80.54 88.52 16.16 0.00 0.00
63
+ ATOM 63 C PTH 1 80.54 88.52 17.16 0.00 0.00
64
+ ATOM 64 C PTH 1 80.54 88.52 18.16 0.00 0.00
65
+ ATOM 65 C PTH 1 80.54 88.52 19.16 0.00 0.00
66
+ ATOM 66 C PTH 1 80.54 88.52 20.16 0.00 0.00
67
+ ATOM 67 C PTH 1 80.54 88.52 21.16 0.00 0.00
68
+ ATOM 68 C PTH 1 80.54 89.52 16.16 0.00 0.00
69
+ ATOM 69 C PTH 1 80.54 89.52 17.16 0.00 0.00
70
+ ATOM 70 C PTH 1 80.54 89.52 18.16 0.00 0.00
71
+ ATOM 71 C PTH 1 80.54 89.52 19.16 0.00 0.00
72
+ ATOM 72 C PTH 1 80.54 89.52 20.16 0.00 0.00
73
+ ATOM 73 C PTH 1 80.54 89.52 21.16 0.00 0.00
74
+ ATOM 74 C PTH 1 80.54 90.52 16.16 0.00 0.00
75
+ ATOM 75 C PTH 1 80.54 90.52 17.16 0.00 0.00
76
+ ATOM 76 C PTH 1 80.54 90.52 18.16 0.00 0.00
77
+ ATOM 77 C PTH 1 80.54 90.52 19.16 0.00 0.00
78
+ ATOM 78 C PTH 1 80.54 90.52 20.16 0.00 0.00
79
+ ATOM 79 C PTH 1 80.54 90.52 21.16 0.00 0.00
80
+ ATOM 80 C PTH 1 80.54 91.52 16.16 0.00 0.00
81
+ ATOM 81 C PTH 1 80.54 91.52 17.16 0.00 0.00
82
+ ATOM 82 C PTH 1 80.54 91.52 18.16 0.00 0.00
83
+ ATOM 83 C PTH 1 80.54 91.52 19.16 0.00 0.00
84
+ ATOM 84 C PTH 1 80.54 91.52 20.16 0.00 0.00
85
+ ATOM 85 C PTH 1 80.54 91.52 21.16 0.00 0.00
86
+ ATOM 86 C PTH 1 80.54 92.52 16.16 0.00 0.00
87
+ ATOM 87 C PTH 1 80.54 92.52 17.16 0.00 0.00
88
+ ATOM 88 C PTH 1 80.54 92.52 18.16 0.00 0.00
89
+ ATOM 89 C PTH 1 80.54 92.52 19.16 0.00 0.00
90
+ ATOM 90 C PTH 1 80.54 92.52 20.16 0.00 0.00
91
+ ATOM 91 C PTH 1 80.54 92.52 21.16 0.00 0.00
92
+ ATOM 92 C PTH 1 80.54 93.52 17.16 0.00 0.00
93
+ ATOM 93 C PTH 1 80.54 93.52 18.16 0.00 0.00
94
+ ATOM 94 C PTH 1 80.54 93.52 19.16 0.00 0.00
95
+ ATOM 95 C PTH 1 80.54 93.52 20.16 0.00 0.00
96
+ ATOM 96 C PTH 1 80.54 93.52 21.16 0.00 0.00
97
+ ATOM 97 C PTH 1 80.54 94.52 18.16 0.00 0.00
98
+ ATOM 98 C PTH 1 80.54 94.52 19.16 0.00 0.00
99
+ ATOM 99 C PTH 1 81.54 83.52 19.16 0.00 0.00
100
+ ATOM 100 C PTH 1 81.54 83.52 20.16 0.00 0.00
101
+ ATOM 101 C PTH 1 81.54 83.52 21.16 0.00 0.00
102
+ ATOM 102 C PTH 1 81.54 84.52 18.16 0.00 0.00
103
+ ATOM 103 C PTH 1 81.54 84.52 19.16 0.00 0.00
104
+ ATOM 104 C PTH 1 81.54 84.52 20.16 0.00 0.00
105
+ ATOM 105 C PTH 1 81.54 84.52 21.16 0.00 0.00
106
+ ATOM 106 C PTH 1 81.54 85.52 17.16 0.00 0.00
107
+ ATOM 107 C PTH 1 81.54 85.52 18.16 0.00 0.00
108
+ ATOM 108 C PTH 1 81.54 85.52 19.16 0.00 0.00
109
+ ATOM 109 C PTH 1 81.54 85.52 20.16 0.00 0.00
110
+ ATOM 110 C PTH 1 81.54 85.52 21.16 0.00 0.00
111
+ ATOM 111 C PTH 1 81.54 86.52 18.16 0.00 0.00
112
+ ATOM 112 C PTH 1 81.54 86.52 19.16 0.00 0.00
113
+ ATOM 113 C PTH 1 81.54 86.52 20.16 0.00 0.00
114
+ ATOM 114 C PTH 1 81.54 86.52 21.16 0.00 0.00
115
+ ATOM 115 C PTH 1 81.54 87.52 17.16 0.00 0.00
116
+ ATOM 116 C PTH 1 81.54 87.52 18.16 0.00 0.00
117
+ ATOM 117 C PTH 1 81.54 87.52 19.16 0.00 0.00
118
+ ATOM 118 C PTH 1 81.54 87.52 20.16 0.00 0.00
119
+ ATOM 119 C PTH 1 81.54 87.52 21.16 0.00 0.00
120
+ ATOM 120 C PTH 1 81.54 88.52 15.16 0.00 0.00
121
+ ATOM 121 C PTH 1 81.54 88.52 16.16 0.00 0.00
122
+ ATOM 122 C PTH 1 81.54 88.52 17.16 0.00 0.00
123
+ ATOM 123 C PTH 1 81.54 88.52 18.16 0.00 0.00
124
+ ATOM 124 C PTH 1 81.54 88.52 19.16 0.00 0.00
125
+ ATOM 125 C PTH 1 81.54 88.52 20.16 0.00 0.00
126
+ ATOM 126 C PTH 1 81.54 88.52 21.16 0.00 0.00
127
+ ATOM 127 C PTH 1 81.54 89.52 15.16 0.00 0.00
128
+ ATOM 128 C PTH 1 81.54 89.52 16.16 0.00 0.00
129
+ ATOM 129 C PTH 1 81.54 89.52 17.16 0.00 0.00
130
+ ATOM 130 C PTH 1 81.54 89.52 18.16 0.00 0.00
131
+ ATOM 131 C PTH 1 81.54 89.52 19.16 0.00 0.00
132
+ ATOM 132 C PTH 1 81.54 89.52 20.16 0.00 0.00
133
+ ATOM 133 C PTH 1 81.54 89.52 21.16 0.00 0.00
134
+ ATOM 134 C PTH 1 81.54 90.52 16.16 0.00 0.00
135
+ ATOM 135 C PTH 1 81.54 90.52 17.16 0.00 0.00
136
+ ATOM 136 C PTH 1 81.54 90.52 18.16 0.00 0.00
137
+ ATOM 137 C PTH 1 81.54 90.52 19.16 0.00 0.00
138
+ ATOM 138 C PTH 1 81.54 90.52 20.16 0.00 0.00
139
+ ATOM 139 C PTH 1 81.54 90.52 21.16 0.00 0.00
140
+ ATOM 140 C PTH 1 81.54 91.52 16.16 0.00 0.00
141
+ ATOM 141 C PTH 1 81.54 91.52 17.16 0.00 0.00
142
+ ATOM 142 C PTH 1 81.54 91.52 18.16 0.00 0.00
143
+ ATOM 143 C PTH 1 81.54 91.52 19.16 0.00 0.00
144
+ ATOM 144 C PTH 1 81.54 91.52 20.16 0.00 0.00
145
+ ATOM 145 C PTH 1 81.54 91.52 21.16 0.00 0.00
146
+ ATOM 146 C PTH 1 81.54 92.52 16.16 0.00 0.00
147
+ ATOM 147 C PTH 1 81.54 92.52 17.16 0.00 0.00
148
+ ATOM 148 C PTH 1 81.54 92.52 18.16 0.00 0.00
149
+ ATOM 149 C PTH 1 81.54 92.52 19.16 0.00 0.00
150
+ ATOM 150 C PTH 1 81.54 92.52 20.16 0.00 0.00
151
+ ATOM 151 C PTH 1 81.54 92.52 21.16 0.00 0.00
152
+ ATOM 152 C PTH 1 81.54 93.52 17.16 0.00 0.00
153
+ ATOM 153 C PTH 1 81.54 93.52 18.16 0.00 0.00
154
+ ATOM 154 C PTH 1 81.54 93.52 19.16 0.00 0.00
155
+ ATOM 155 C PTH 1 81.54 93.52 20.16 0.00 0.00
156
+ ATOM 156 C PTH 1 81.54 94.52 18.16 0.00 0.00
157
+ ATOM 157 C PTH 1 81.54 94.52 19.16 0.00 0.00
158
+ ATOM 158 C PTH 1 82.54 83.52 19.16 0.00 0.00
159
+ ATOM 159 C PTH 1 82.54 84.52 17.16 0.00 0.00
160
+ ATOM 160 C PTH 1 82.54 84.52 18.16 0.00 0.00
161
+ ATOM 161 C PTH 1 82.54 84.52 19.16 0.00 0.00
162
+ ATOM 162 C PTH 1 82.54 84.52 20.16 0.00 0.00
163
+ ATOM 163 C PTH 1 82.54 84.52 21.16 0.00 0.00
164
+ ATOM 164 C PTH 1 82.54 85.52 18.16 0.00 0.00
165
+ ATOM 165 C PTH 1 82.54 85.52 19.16 0.00 0.00
166
+ ATOM 166 C PTH 1 82.54 85.52 20.16 0.00 0.00
167
+ ATOM 167 C PTH 1 82.54 85.52 21.16 0.00 0.00
168
+ ATOM 168 C PTH 1 82.54 86.52 18.16 0.00 0.00
169
+ ATOM 169 C PTH 1 82.54 86.52 19.16 0.00 0.00
170
+ ATOM 170 C PTH 1 82.54 86.52 20.16 0.00 0.00
171
+ ATOM 171 C PTH 1 82.54 87.52 17.16 0.00 0.00
172
+ ATOM 172 C PTH 1 82.54 87.52 18.16 0.00 0.00
173
+ ATOM 173 C PTH 1 82.54 87.52 19.16 0.00 0.00
174
+ ATOM 174 C PTH 1 82.54 87.52 20.16 0.00 0.00
175
+ ATOM 175 C PTH 1 82.54 88.52 17.16 0.00 0.00
176
+ ATOM 176 C PTH 1 82.54 88.52 18.16 0.00 0.00
177
+ ATOM 177 C PTH 1 82.54 88.52 19.16 0.00 0.00
178
+ ATOM 178 C PTH 1 82.54 88.52 20.16 0.00 0.00
179
+ ATOM 179 C PTH 1 82.54 88.52 21.16 0.00 0.00
180
+ ATOM 180 C PTH 1 82.54 89.52 16.16 0.00 0.00
181
+ ATOM 181 C PTH 1 82.54 89.52 17.16 0.00 0.00
182
+ ATOM 182 C PTH 1 82.54 89.52 18.16 0.00 0.00
183
+ ATOM 183 C PTH 1 82.54 89.52 19.16 0.00 0.00
184
+ ATOM 184 C PTH 1 82.54 89.52 20.16 0.00 0.00
185
+ ATOM 185 C PTH 1 82.54 89.52 21.16 0.00 0.00
186
+ ATOM 186 C PTH 1 82.54 90.52 16.16 0.00 0.00
187
+ ATOM 187 C PTH 1 82.54 90.52 17.16 0.00 0.00
188
+ ATOM 188 C PTH 1 82.54 90.52 18.16 0.00 0.00
189
+ ATOM 189 C PTH 1 82.54 90.52 19.16 0.00 0.00
190
+ ATOM 190 C PTH 1 82.54 90.52 20.16 0.00 0.00
191
+ ATOM 191 C PTH 1 82.54 90.52 21.16 0.00 0.00
192
+ ATOM 192 C PTH 1 82.54 91.52 16.16 0.00 0.00
193
+ ATOM 193 C PTH 1 82.54 91.52 17.16 0.00 0.00
194
+ ATOM 194 C PTH 1 82.54 91.52 18.16 0.00 0.00
195
+ ATOM 195 C PTH 1 82.54 91.52 19.16 0.00 0.00
196
+ ATOM 196 C PTH 1 82.54 91.52 20.16 0.00 0.00
197
+ ATOM 197 C PTH 1 82.54 91.52 21.16 0.00 0.00
198
+ ATOM 198 C PTH 1 82.54 92.52 17.16 0.00 0.00
199
+ ATOM 199 C PTH 1 82.54 92.52 18.16 0.00 0.00
200
+ ATOM 200 C PTH 1 82.54 92.52 19.16 0.00 0.00
201
+ ATOM 201 C PTH 1 82.54 92.52 20.16 0.00 0.00
202
+ ATOM 202 C PTH 1 82.54 93.52 18.16 0.00 0.00
203
+ ATOM 203 C PTH 1 82.54 93.52 19.16 0.00 0.00
204
+ ATOM 204 C PTH 1 82.54 93.52 20.16 0.00 0.00
205
+ ATOM 205 C PTH 1 83.54 87.52 19.16 0.00 0.00
206
+ ATOM 206 C PTH 1 83.54 87.52 20.16 0.00 0.00
207
+ ATOM 207 C PTH 1 83.54 88.52 18.16 0.00 0.00
208
+ ATOM 208 C PTH 1 83.54 88.52 19.16 0.00 0.00
209
+ ATOM 209 C PTH 1 83.54 88.52 20.16 0.00 0.00
210
+ ATOM 210 C PTH 1 83.54 89.52 17.16 0.00 0.00
211
+ ATOM 211 C PTH 1 83.54 89.52 18.16 0.00 0.00
212
+ ATOM 212 C PTH 1 83.54 89.52 19.16 0.00 0.00
213
+ ATOM 213 C PTH 1 83.54 89.52 20.16 0.00 0.00
214
+ ATOM 214 C PTH 1 83.54 90.52 17.16 0.00 0.00
215
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data/files/A0014/pocket_05.pdb ADDED
@@ -0,0 +1,214 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A0014/pocket_06.pdb ADDED
@@ -0,0 +1,207 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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+ ATOM 56 C PTH 1 89.54 98.52 25.16 0.00 0.00
57
+ ATOM 57 C PTH 1 89.54 98.52 26.16 0.00 0.00
58
+ ATOM 58 C PTH 1 89.54 99.52 18.16 0.00 0.00
59
+ ATOM 59 C PTH 1 89.54 99.52 19.16 0.00 0.00
60
+ ATOM 60 C PTH 1 89.54 99.52 20.16 0.00 0.00
61
+ ATOM 61 C PTH 1 89.54 99.52 21.16 0.00 0.00
62
+ ATOM 62 C PTH 1 89.54 99.52 22.16 0.00 0.00
63
+ ATOM 63 C PTH 1 89.54 99.52 23.16 0.00 0.00
64
+ ATOM 64 C PTH 1 89.54 99.52 24.16 0.00 0.00
65
+ ATOM 65 C PTH 1 89.54 99.52 25.16 0.00 0.00
66
+ ATOM 66 C PTH 1 89.54 99.52 26.16 0.00 0.00
67
+ ATOM 67 C PTH 1 89.54 100.52 19.16 0.00 0.00
68
+ ATOM 68 C PTH 1 89.54 100.52 20.16 0.00 0.00
69
+ ATOM 69 C PTH 1 89.54 100.52 21.16 0.00 0.00
70
+ ATOM 70 C PTH 1 89.54 100.52 22.16 0.00 0.00
71
+ ATOM 71 C PTH 1 89.54 100.52 23.16 0.00 0.00
72
+ ATOM 72 C PTH 1 89.54 100.52 24.16 0.00 0.00
73
+ ATOM 73 C PTH 1 89.54 100.52 25.16 0.00 0.00
74
+ ATOM 74 C PTH 1 89.54 100.52 26.16 0.00 0.00
75
+ ATOM 75 C PTH 1 89.54 101.52 21.16 0.00 0.00
76
+ ATOM 76 C PTH 1 89.54 101.52 22.16 0.00 0.00
77
+ ATOM 77 C PTH 1 89.54 101.52 23.16 0.00 0.00
78
+ ATOM 78 C PTH 1 89.54 101.52 24.16 0.00 0.00
79
+ ATOM 79 C PTH 1 89.54 101.52 25.16 0.00 0.00
80
+ ATOM 80 C PTH 1 89.54 101.52 26.16 0.00 0.00
81
+ ATOM 81 C PTH 1 89.54 102.52 23.16 0.00 0.00
82
+ ATOM 82 C PTH 1 90.54 96.52 20.16 0.00 0.00
83
+ ATOM 83 C PTH 1 90.54 96.52 21.16 0.00 0.00
84
+ ATOM 84 C PTH 1 90.54 96.52 22.16 0.00 0.00
85
+ ATOM 85 C PTH 1 90.54 96.52 23.16 0.00 0.00
86
+ ATOM 86 C PTH 1 90.54 97.52 19.16 0.00 0.00
87
+ ATOM 87 C PTH 1 90.54 97.52 20.16 0.00 0.00
88
+ ATOM 88 C PTH 1 90.54 97.52 21.16 0.00 0.00
89
+ ATOM 89 C PTH 1 90.54 97.52 22.16 0.00 0.00
90
+ ATOM 90 C PTH 1 90.54 97.52 23.16 0.00 0.00
91
+ ATOM 91 C PTH 1 90.54 97.52 24.16 0.00 0.00
92
+ ATOM 92 C PTH 1 90.54 98.52 18.16 0.00 0.00
93
+ ATOM 93 C PTH 1 90.54 98.52 19.16 0.00 0.00
94
+ ATOM 94 C PTH 1 90.54 98.52 20.16 0.00 0.00
95
+ ATOM 95 C PTH 1 90.54 98.52 21.16 0.00 0.00
96
+ ATOM 96 C PTH 1 90.54 98.52 22.16 0.00 0.00
97
+ ATOM 97 C PTH 1 90.54 98.52 23.16 0.00 0.00
98
+ ATOM 98 C PTH 1 90.54 98.52 24.16 0.00 0.00
99
+ ATOM 99 C PTH 1 90.54 98.52 25.16 0.00 0.00
100
+ ATOM 100 C PTH 1 90.54 98.52 26.16 0.00 0.00
101
+ ATOM 101 C PTH 1 90.54 99.52 18.16 0.00 0.00
102
+ ATOM 102 C PTH 1 90.54 99.52 19.16 0.00 0.00
103
+ ATOM 103 C PTH 1 90.54 99.52 20.16 0.00 0.00
104
+ ATOM 104 C PTH 1 90.54 99.52 21.16 0.00 0.00
105
+ ATOM 105 C PTH 1 90.54 99.52 22.16 0.00 0.00
106
+ ATOM 106 C PTH 1 90.54 99.52 23.16 0.00 0.00
107
+ ATOM 107 C PTH 1 90.54 99.52 24.16 0.00 0.00
108
+ ATOM 108 C PTH 1 90.54 99.52 25.16 0.00 0.00
109
+ ATOM 109 C PTH 1 90.54 99.52 26.16 0.00 0.00
110
+ ATOM 110 C PTH 1 90.54 100.52 18.16 0.00 0.00
111
+ ATOM 111 C PTH 1 90.54 100.52 19.16 0.00 0.00
112
+ ATOM 112 C PTH 1 90.54 100.52 20.16 0.00 0.00
113
+ ATOM 113 C PTH 1 90.54 100.52 21.16 0.00 0.00
114
+ ATOM 114 C PTH 1 90.54 100.52 22.16 0.00 0.00
115
+ ATOM 115 C PTH 1 90.54 100.52 23.16 0.00 0.00
116
+ ATOM 116 C PTH 1 90.54 100.52 24.16 0.00 0.00
117
+ ATOM 117 C PTH 1 90.54 100.52 25.16 0.00 0.00
118
+ ATOM 118 C PTH 1 90.54 100.52 26.16 0.00 0.00
119
+ ATOM 119 C PTH 1 90.54 101.52 20.16 0.00 0.00
120
+ ATOM 120 C PTH 1 90.54 101.52 21.16 0.00 0.00
121
+ ATOM 121 C PTH 1 90.54 101.52 22.16 0.00 0.00
122
+ ATOM 122 C PTH 1 90.54 101.52 23.16 0.00 0.00
123
+ ATOM 123 C PTH 1 90.54 101.52 24.16 0.00 0.00
124
+ ATOM 124 C PTH 1 90.54 101.52 25.16 0.00 0.00
125
+ ATOM 125 C PTH 1 90.54 102.52 22.16 0.00 0.00
126
+ ATOM 126 C PTH 1 90.54 102.52 23.16 0.00 0.00
127
+ ATOM 127 C PTH 1 91.54 96.52 20.16 0.00 0.00
128
+ ATOM 128 C PTH 1 91.54 96.52 21.16 0.00 0.00
129
+ ATOM 129 C PTH 1 91.54 96.52 22.16 0.00 0.00
130
+ ATOM 130 C PTH 1 91.54 96.52 23.16 0.00 0.00
131
+ ATOM 131 C PTH 1 91.54 96.52 24.16 0.00 0.00
132
+ ATOM 132 C PTH 1 91.54 97.52 19.16 0.00 0.00
133
+ ATOM 133 C PTH 1 91.54 97.52 20.16 0.00 0.00
134
+ ATOM 134 C PTH 1 91.54 97.52 21.16 0.00 0.00
135
+ ATOM 135 C PTH 1 91.54 97.52 22.16 0.00 0.00
136
+ ATOM 136 C PTH 1 91.54 97.52 23.16 0.00 0.00
137
+ ATOM 137 C PTH 1 91.54 97.52 24.16 0.00 0.00
138
+ ATOM 138 C PTH 1 91.54 97.52 25.16 0.00 0.00
139
+ ATOM 139 C PTH 1 91.54 98.52 19.16 0.00 0.00
140
+ ATOM 140 C PTH 1 91.54 98.52 20.16 0.00 0.00
141
+ ATOM 141 C PTH 1 91.54 98.52 21.16 0.00 0.00
142
+ ATOM 142 C PTH 1 91.54 98.52 22.16 0.00 0.00
143
+ ATOM 143 C PTH 1 91.54 98.52 23.16 0.00 0.00
144
+ ATOM 144 C PTH 1 91.54 98.52 24.16 0.00 0.00
145
+ ATOM 145 C PTH 1 91.54 98.52 25.16 0.00 0.00
146
+ ATOM 146 C PTH 1 91.54 98.52 26.16 0.00 0.00
147
+ ATOM 147 C PTH 1 91.54 99.52 18.16 0.00 0.00
148
+ ATOM 148 C PTH 1 91.54 99.52 19.16 0.00 0.00
149
+ ATOM 149 C PTH 1 91.54 99.52 20.16 0.00 0.00
150
+ ATOM 150 C PTH 1 91.54 99.52 21.16 0.00 0.00
151
+ ATOM 151 C PTH 1 91.54 99.52 22.16 0.00 0.00
152
+ ATOM 152 C PTH 1 91.54 99.52 23.16 0.00 0.00
153
+ ATOM 153 C PTH 1 91.54 99.52 24.16 0.00 0.00
154
+ ATOM 154 C PTH 1 91.54 99.52 25.16 0.00 0.00
155
+ ATOM 155 C PTH 1 91.54 100.52 18.16 0.00 0.00
156
+ ATOM 156 C PTH 1 91.54 100.52 19.16 0.00 0.00
157
+ ATOM 157 C PTH 1 91.54 100.52 20.16 0.00 0.00
158
+ ATOM 158 C PTH 1 91.54 100.52 21.16 0.00 0.00
159
+ ATOM 159 C PTH 1 91.54 100.52 22.16 0.00 0.00
160
+ ATOM 160 C PTH 1 91.54 100.52 23.16 0.00 0.00
161
+ ATOM 161 C PTH 1 91.54 100.52 24.16 0.00 0.00
162
+ ATOM 162 C PTH 1 91.54 100.52 25.16 0.00 0.00
163
+ ATOM 163 C PTH 1 91.54 101.52 20.16 0.00 0.00
164
+ ATOM 164 C PTH 1 91.54 101.52 21.16 0.00 0.00
165
+ ATOM 165 C PTH 1 91.54 101.52 22.16 0.00 0.00
166
+ ATOM 166 C PTH 1 91.54 101.52 23.16 0.00 0.00
167
+ ATOM 167 C PTH 1 91.54 101.52 24.16 0.00 0.00
168
+ ATOM 168 C PTH 1 91.54 102.52 22.16 0.00 0.00
169
+ ATOM 169 C PTH 1 91.54 102.52 23.16 0.00 0.00
170
+ ATOM 170 C PTH 1 92.54 96.52 24.16 0.00 0.00
171
+ ATOM 171 C PTH 1 92.54 96.52 25.16 0.00 0.00
172
+ ATOM 172 C PTH 1 92.54 97.52 21.16 0.00 0.00
173
+ ATOM 173 C PTH 1 92.54 97.52 22.16 0.00 0.00
174
+ ATOM 174 C PTH 1 92.54 97.52 23.16 0.00 0.00
175
+ ATOM 175 C PTH 1 92.54 97.52 24.16 0.00 0.00
176
+ ATOM 176 C PTH 1 92.54 97.52 25.16 0.00 0.00
177
+ ATOM 177 C PTH 1 92.54 97.52 26.16 0.00 0.00
178
+ ATOM 178 C PTH 1 92.54 98.52 20.16 0.00 0.00
179
+ ATOM 179 C PTH 1 92.54 98.52 21.16 0.00 0.00
180
+ ATOM 180 C PTH 1 92.54 98.52 22.16 0.00 0.00
181
+ ATOM 181 C PTH 1 92.54 98.52 23.16 0.00 0.00
182
+ ATOM 182 C PTH 1 92.54 98.52 24.16 0.00 0.00
183
+ ATOM 183 C PTH 1 92.54 98.52 25.16 0.00 0.00
184
+ ATOM 184 C PTH 1 92.54 98.52 26.16 0.00 0.00
185
+ ATOM 185 C PTH 1 92.54 99.52 20.16 0.00 0.00
186
+ ATOM 186 C PTH 1 92.54 99.52 21.16 0.00 0.00
187
+ ATOM 187 C PTH 1 92.54 99.52 22.16 0.00 0.00
188
+ ATOM 188 C PTH 1 92.54 99.52 23.16 0.00 0.00
189
+ ATOM 189 C PTH 1 92.54 99.52 24.16 0.00 0.00
190
+ ATOM 190 C PTH 1 92.54 99.52 25.16 0.00 0.00
191
+ ATOM 191 C PTH 1 92.54 100.52 19.16 0.00 0.00
192
+ ATOM 192 C PTH 1 92.54 100.52 20.16 0.00 0.00
193
+ ATOM 193 C PTH 1 92.54 100.52 21.16 0.00 0.00
194
+ ATOM 194 C PTH 1 92.54 100.52 22.16 0.00 0.00
195
+ ATOM 195 C PTH 1 92.54 100.52 23.16 0.00 0.00
196
+ ATOM 196 C PTH 1 92.54 100.52 24.16 0.00 0.00
197
+ ATOM 197 C PTH 1 92.54 101.52 21.16 0.00 0.00
198
+ ATOM 198 C PTH 1 92.54 101.52 22.16 0.00 0.00
199
+ ATOM 199 C PTH 1 93.54 96.52 24.16 0.00 0.00
200
+ ATOM 200 C PTH 1 93.54 96.52 25.16 0.00 0.00
201
+ ATOM 201 C PTH 1 93.54 97.52 23.16 0.00 0.00
202
+ ATOM 202 C PTH 1 93.54 97.52 24.16 0.00 0.00
203
+ ATOM 203 C PTH 1 93.54 97.52 25.16 0.00 0.00
204
+ ATOM 204 C PTH 1 93.54 98.52 23.16 0.00 0.00
205
+ ATOM 205 C PTH 1 93.54 98.52 24.16 0.00 0.00
206
+ ATOM 206 C PTH 1 93.54 98.52 25.16 0.00 0.00
207
+ ATOM 207 C PTH 1 93.54 99.52 24.16 0.00 0.00
data/files/A0014/pocket_07.pdb ADDED
@@ -0,0 +1,197 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 98.54 71.52 9.16 0.00 0.00
2
+ ATOM 2 C PTH 1 98.54 71.52 10.16 0.00 0.00
3
+ ATOM 3 C PTH 1 98.54 71.52 11.16 0.00 0.00
4
+ ATOM 4 C PTH 1 98.54 72.52 10.16 0.00 0.00
5
+ ATOM 5 C PTH 1 98.54 72.52 11.16 0.00 0.00
6
+ ATOM 6 C PTH 1 99.54 70.52 9.16 0.00 0.00
7
+ ATOM 7 C PTH 1 99.54 70.52 10.16 0.00 0.00
8
+ ATOM 8 C PTH 1 99.54 70.52 11.16 0.00 0.00
9
+ ATOM 9 C PTH 1 99.54 70.52 12.16 0.00 0.00
10
+ ATOM 10 C PTH 1 99.54 70.52 13.16 0.00 0.00
11
+ ATOM 11 C PTH 1 99.54 70.52 14.16 0.00 0.00
12
+ ATOM 12 C PTH 1 99.54 71.52 9.16 0.00 0.00
13
+ ATOM 13 C PTH 1 99.54 71.52 10.16 0.00 0.00
14
+ ATOM 14 C PTH 1 99.54 71.52 11.16 0.00 0.00
15
+ ATOM 15 C PTH 1 99.54 71.52 12.16 0.00 0.00
16
+ ATOM 16 C PTH 1 99.54 71.52 13.16 0.00 0.00
17
+ ATOM 17 C PTH 1 99.54 71.52 14.16 0.00 0.00
18
+ ATOM 18 C PTH 1 99.54 71.52 15.16 0.00 0.00
19
+ ATOM 19 C PTH 1 99.54 71.52 16.16 0.00 0.00
20
+ ATOM 20 C PTH 1 99.54 72.52 9.16 0.00 0.00
21
+ ATOM 21 C PTH 1 99.54 72.52 10.16 0.00 0.00
22
+ ATOM 22 C PTH 1 99.54 72.52 11.16 0.00 0.00
23
+ ATOM 23 C PTH 1 99.54 72.52 12.16 0.00 0.00
24
+ ATOM 24 C PTH 1 99.54 72.52 13.16 0.00 0.00
25
+ ATOM 25 C PTH 1 99.54 72.52 14.16 0.00 0.00
26
+ ATOM 26 C PTH 1 99.54 72.52 15.16 0.00 0.00
27
+ ATOM 27 C PTH 1 99.54 72.52 16.16 0.00 0.00
28
+ ATOM 28 C PTH 1 99.54 73.52 9.16 0.00 0.00
29
+ ATOM 29 C PTH 1 99.54 73.52 10.16 0.00 0.00
30
+ ATOM 30 C PTH 1 99.54 73.52 11.16 0.00 0.00
31
+ ATOM 31 C PTH 1 99.54 73.52 12.16 0.00 0.00
32
+ ATOM 32 C PTH 1 99.54 73.52 13.16 0.00 0.00
33
+ ATOM 33 C PTH 1 100.54 68.52 16.16 0.00 0.00
34
+ ATOM 34 C PTH 1 100.54 68.52 17.16 0.00 0.00
35
+ ATOM 35 C PTH 1 100.54 68.52 18.16 0.00 0.00
36
+ ATOM 36 C PTH 1 100.54 69.52 10.16 0.00 0.00
37
+ ATOM 37 C PTH 1 100.54 69.52 11.16 0.00 0.00
38
+ ATOM 38 C PTH 1 100.54 69.52 12.16 0.00 0.00
39
+ ATOM 39 C PTH 1 100.54 69.52 13.16 0.00 0.00
40
+ ATOM 40 C PTH 1 100.54 69.52 14.16 0.00 0.00
41
+ ATOM 41 C PTH 1 100.54 69.52 15.16 0.00 0.00
42
+ ATOM 42 C PTH 1 100.54 69.52 16.16 0.00 0.00
43
+ ATOM 43 C PTH 1 100.54 69.52 17.16 0.00 0.00
44
+ ATOM 44 C PTH 1 100.54 69.52 18.16 0.00 0.00
45
+ ATOM 45 C PTH 1 100.54 70.52 9.16 0.00 0.00
46
+ ATOM 46 C PTH 1 100.54 70.52 10.16 0.00 0.00
47
+ ATOM 47 C PTH 1 100.54 70.52 11.16 0.00 0.00
48
+ ATOM 48 C PTH 1 100.54 70.52 12.16 0.00 0.00
49
+ ATOM 49 C PTH 1 100.54 70.52 13.16 0.00 0.00
50
+ ATOM 50 C PTH 1 100.54 70.52 14.16 0.00 0.00
51
+ ATOM 51 C PTH 1 100.54 70.52 15.16 0.00 0.00
52
+ ATOM 52 C PTH 1 100.54 70.52 16.16 0.00 0.00
53
+ ATOM 53 C PTH 1 100.54 70.52 17.16 0.00 0.00
54
+ ATOM 54 C PTH 1 100.54 71.52 9.16 0.00 0.00
55
+ ATOM 55 C PTH 1 100.54 71.52 10.16 0.00 0.00
56
+ ATOM 56 C PTH 1 100.54 71.52 11.16 0.00 0.00
57
+ ATOM 57 C PTH 1 100.54 71.52 12.16 0.00 0.00
58
+ ATOM 58 C PTH 1 100.54 71.52 13.16 0.00 0.00
59
+ ATOM 59 C PTH 1 100.54 71.52 14.16 0.00 0.00
60
+ ATOM 60 C PTH 1 100.54 71.52 15.16 0.00 0.00
61
+ ATOM 61 C PTH 1 100.54 71.52 16.16 0.00 0.00
62
+ ATOM 62 C PTH 1 100.54 71.52 17.16 0.00 0.00
63
+ ATOM 63 C PTH 1 100.54 72.52 9.16 0.00 0.00
64
+ ATOM 64 C PTH 1 100.54 72.52 10.16 0.00 0.00
65
+ ATOM 65 C PTH 1 100.54 72.52 11.16 0.00 0.00
66
+ ATOM 66 C PTH 1 100.54 72.52 12.16 0.00 0.00
67
+ ATOM 67 C PTH 1 100.54 72.52 13.16 0.00 0.00
68
+ ATOM 68 C PTH 1 100.54 72.52 14.16 0.00 0.00
69
+ ATOM 69 C PTH 1 100.54 72.52 15.16 0.00 0.00
70
+ ATOM 70 C PTH 1 100.54 72.52 16.16 0.00 0.00
71
+ ATOM 71 C PTH 1 100.54 72.52 17.16 0.00 0.00
72
+ ATOM 72 C PTH 1 100.54 73.52 9.16 0.00 0.00
73
+ ATOM 73 C PTH 1 100.54 73.52 10.16 0.00 0.00
74
+ ATOM 74 C PTH 1 100.54 73.52 11.16 0.00 0.00
75
+ ATOM 75 C PTH 1 100.54 73.52 12.16 0.00 0.00
76
+ ATOM 76 C PTH 1 100.54 73.52 13.16 0.00 0.00
77
+ ATOM 77 C PTH 1 100.54 73.52 14.16 0.00 0.00
78
+ ATOM 78 C PTH 1 100.54 73.52 15.16 0.00 0.00
79
+ ATOM 79 C PTH 1 100.54 73.52 16.16 0.00 0.00
80
+ ATOM 80 C PTH 1 100.54 74.52 12.16 0.00 0.00
81
+ ATOM 81 C PTH 1 100.54 74.52 13.16 0.00 0.00
82
+ ATOM 82 C PTH 1 100.54 74.52 14.16 0.00 0.00
83
+ ATOM 83 C PTH 1 101.54 68.52 15.16 0.00 0.00
84
+ ATOM 84 C PTH 1 101.54 68.52 16.16 0.00 0.00
85
+ ATOM 85 C PTH 1 101.54 68.52 17.16 0.00 0.00
86
+ ATOM 86 C PTH 1 101.54 68.52 18.16 0.00 0.00
87
+ ATOM 87 C PTH 1 101.54 69.52 11.16 0.00 0.00
88
+ ATOM 88 C PTH 1 101.54 69.52 12.16 0.00 0.00
89
+ ATOM 89 C PTH 1 101.54 69.52 13.16 0.00 0.00
90
+ ATOM 90 C PTH 1 101.54 69.52 14.16 0.00 0.00
91
+ ATOM 91 C PTH 1 101.54 69.52 15.16 0.00 0.00
92
+ ATOM 92 C PTH 1 101.54 69.52 16.16 0.00 0.00
93
+ ATOM 93 C PTH 1 101.54 69.52 17.16 0.00 0.00
94
+ ATOM 94 C PTH 1 101.54 69.52 18.16 0.00 0.00
95
+ ATOM 95 C PTH 1 101.54 70.52 9.16 0.00 0.00
96
+ ATOM 96 C PTH 1 101.54 70.52 10.16 0.00 0.00
97
+ ATOM 97 C PTH 1 101.54 70.52 11.16 0.00 0.00
98
+ ATOM 98 C PTH 1 101.54 70.52 12.16 0.00 0.00
99
+ ATOM 99 C PTH 1 101.54 70.52 13.16 0.00 0.00
100
+ ATOM 100 C PTH 1 101.54 70.52 14.16 0.00 0.00
101
+ ATOM 101 C PTH 1 101.54 70.52 15.16 0.00 0.00
102
+ ATOM 102 C PTH 1 101.54 70.52 16.16 0.00 0.00
103
+ ATOM 103 C PTH 1 101.54 70.52 17.16 0.00 0.00
104
+ ATOM 104 C PTH 1 101.54 71.52 9.16 0.00 0.00
105
+ ATOM 105 C PTH 1 101.54 71.52 10.16 0.00 0.00
106
+ ATOM 106 C PTH 1 101.54 71.52 11.16 0.00 0.00
107
+ ATOM 107 C PTH 1 101.54 71.52 12.16 0.00 0.00
108
+ ATOM 108 C PTH 1 101.54 71.52 13.16 0.00 0.00
109
+ ATOM 109 C PTH 1 101.54 71.52 14.16 0.00 0.00
110
+ ATOM 110 C PTH 1 101.54 71.52 15.16 0.00 0.00
111
+ ATOM 111 C PTH 1 101.54 71.52 16.16 0.00 0.00
112
+ ATOM 112 C PTH 1 101.54 71.52 17.16 0.00 0.00
113
+ ATOM 113 C PTH 1 101.54 72.52 9.16 0.00 0.00
114
+ ATOM 114 C PTH 1 101.54 72.52 10.16 0.00 0.00
115
+ ATOM 115 C PTH 1 101.54 72.52 11.16 0.00 0.00
116
+ ATOM 116 C PTH 1 101.54 72.52 12.16 0.00 0.00
117
+ ATOM 117 C PTH 1 101.54 72.52 13.16 0.00 0.00
118
+ ATOM 118 C PTH 1 101.54 72.52 14.16 0.00 0.00
119
+ ATOM 119 C PTH 1 101.54 72.52 15.16 0.00 0.00
120
+ ATOM 120 C PTH 1 101.54 72.52 16.16 0.00 0.00
121
+ ATOM 121 C PTH 1 101.54 72.52 17.16 0.00 0.00
122
+ ATOM 122 C PTH 1 101.54 73.52 9.16 0.00 0.00
123
+ ATOM 123 C PTH 1 101.54 73.52 10.16 0.00 0.00
124
+ ATOM 124 C PTH 1 101.54 73.52 11.16 0.00 0.00
125
+ ATOM 125 C PTH 1 101.54 73.52 12.16 0.00 0.00
126
+ ATOM 126 C PTH 1 101.54 73.52 13.16 0.00 0.00
127
+ ATOM 127 C PTH 1 101.54 73.52 14.16 0.00 0.00
128
+ ATOM 128 C PTH 1 101.54 73.52 15.16 0.00 0.00
129
+ ATOM 129 C PTH 1 101.54 73.52 16.16 0.00 0.00
130
+ ATOM 130 C PTH 1 101.54 74.52 12.16 0.00 0.00
131
+ ATOM 131 C PTH 1 101.54 74.52 13.16 0.00 0.00
132
+ ATOM 132 C PTH 1 101.54 74.52 14.16 0.00 0.00
133
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180
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184
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197
+ ATOM 197 C PTH 1 103.54 73.52 13.16 0.00 0.00
data/files/A0014/pocket_08.pdb ADDED
@@ -0,0 +1,192 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 81.54 79.52 13.16 0.00 0.00
2
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3
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52
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54
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192
+ ATOM 192 C PTH 1 87.54 81.52 16.16 0.00 0.00
data/files/A0014/pocket_09.pdb ADDED
@@ -0,0 +1,187 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 89.54 104.52 41.16 0.00 0.00
2
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3
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18
+ ATOM 18 C PTH 1 90.54 104.52 39.16 0.00 0.00
19
+ ATOM 19 C PTH 1 90.54 104.52 40.16 0.00 0.00
20
+ ATOM 20 C PTH 1 90.54 104.52 41.16 0.00 0.00
21
+ ATOM 21 C PTH 1 90.54 104.52 42.16 0.00 0.00
22
+ ATOM 22 C PTH 1 90.54 104.52 43.16 0.00 0.00
23
+ ATOM 23 C PTH 1 90.54 104.52 44.16 0.00 0.00
24
+ ATOM 24 C PTH 1 90.54 105.52 39.16 0.00 0.00
25
+ ATOM 25 C PTH 1 90.54 105.52 40.16 0.00 0.00
26
+ ATOM 26 C PTH 1 90.54 105.52 41.16 0.00 0.00
27
+ ATOM 27 C PTH 1 90.54 105.52 42.16 0.00 0.00
28
+ ATOM 28 C PTH 1 90.54 105.52 43.16 0.00 0.00
29
+ ATOM 29 C PTH 1 90.54 105.52 44.16 0.00 0.00
30
+ ATOM 30 C PTH 1 90.54 105.52 45.16 0.00 0.00
31
+ ATOM 31 C PTH 1 90.54 106.52 39.16 0.00 0.00
32
+ ATOM 32 C PTH 1 90.54 106.52 40.16 0.00 0.00
33
+ ATOM 33 C PTH 1 90.54 106.52 41.16 0.00 0.00
34
+ ATOM 34 C PTH 1 90.54 106.52 42.16 0.00 0.00
35
+ ATOM 35 C PTH 1 90.54 106.52 43.16 0.00 0.00
36
+ ATOM 36 C PTH 1 90.54 106.52 44.16 0.00 0.00
37
+ ATOM 37 C PTH 1 90.54 106.52 45.16 0.00 0.00
38
+ ATOM 38 C PTH 1 90.54 107.52 42.16 0.00 0.00
39
+ ATOM 39 C PTH 1 90.54 107.52 43.16 0.00 0.00
40
+ ATOM 40 C PTH 1 91.54 101.52 41.16 0.00 0.00
41
+ ATOM 41 C PTH 1 91.54 101.52 42.16 0.00 0.00
42
+ ATOM 42 C PTH 1 91.54 101.52 43.16 0.00 0.00
43
+ ATOM 43 C PTH 1 91.54 102.52 40.16 0.00 0.00
44
+ ATOM 44 C PTH 1 91.54 102.52 41.16 0.00 0.00
45
+ ATOM 45 C PTH 1 91.54 102.52 42.16 0.00 0.00
46
+ ATOM 46 C PTH 1 91.54 102.52 43.16 0.00 0.00
47
+ ATOM 47 C PTH 1 91.54 102.52 44.16 0.00 0.00
48
+ ATOM 48 C PTH 1 91.54 103.52 39.16 0.00 0.00
49
+ ATOM 49 C PTH 1 91.54 103.52 40.16 0.00 0.00
50
+ ATOM 50 C PTH 1 91.54 103.52 41.16 0.00 0.00
51
+ ATOM 51 C PTH 1 91.54 103.52 42.16 0.00 0.00
52
+ ATOM 52 C PTH 1 91.54 103.52 43.16 0.00 0.00
53
+ ATOM 53 C PTH 1 91.54 103.52 44.16 0.00 0.00
54
+ ATOM 54 C PTH 1 91.54 103.52 45.16 0.00 0.00
55
+ ATOM 55 C PTH 1 91.54 104.52 39.16 0.00 0.00
56
+ ATOM 56 C PTH 1 91.54 104.52 40.16 0.00 0.00
57
+ ATOM 57 C PTH 1 91.54 104.52 41.16 0.00 0.00
58
+ ATOM 58 C PTH 1 91.54 104.52 42.16 0.00 0.00
59
+ ATOM 59 C PTH 1 91.54 104.52 43.16 0.00 0.00
60
+ ATOM 60 C PTH 1 91.54 104.52 44.16 0.00 0.00
61
+ ATOM 61 C PTH 1 91.54 104.52 45.16 0.00 0.00
62
+ ATOM 62 C PTH 1 91.54 105.52 39.16 0.00 0.00
63
+ ATOM 63 C PTH 1 91.54 105.52 40.16 0.00 0.00
64
+ ATOM 64 C PTH 1 91.54 105.52 41.16 0.00 0.00
65
+ ATOM 65 C PTH 1 91.54 105.52 42.16 0.00 0.00
66
+ ATOM 66 C PTH 1 91.54 105.52 43.16 0.00 0.00
67
+ ATOM 67 C PTH 1 91.54 105.52 44.16 0.00 0.00
68
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69
+ ATOM 69 C PTH 1 91.54 106.52 39.16 0.00 0.00
70
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71
+ ATOM 71 C PTH 1 91.54 106.52 41.16 0.00 0.00
72
+ ATOM 72 C PTH 1 91.54 106.52 42.16 0.00 0.00
73
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74
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75
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76
+ ATOM 76 C PTH 1 91.54 107.52 40.16 0.00 0.00
77
+ ATOM 77 C PTH 1 91.54 107.52 41.16 0.00 0.00
78
+ ATOM 78 C PTH 1 91.54 107.52 42.16 0.00 0.00
79
+ ATOM 79 C PTH 1 91.54 107.52 43.16 0.00 0.00
80
+ ATOM 80 C PTH 1 92.54 101.52 41.16 0.00 0.00
81
+ ATOM 81 C PTH 1 92.54 101.52 42.16 0.00 0.00
82
+ ATOM 82 C PTH 1 92.54 101.52 43.16 0.00 0.00
83
+ ATOM 83 C PTH 1 92.54 102.52 40.16 0.00 0.00
84
+ ATOM 84 C PTH 1 92.54 102.52 41.16 0.00 0.00
85
+ ATOM 85 C PTH 1 92.54 102.52 42.16 0.00 0.00
86
+ ATOM 86 C PTH 1 92.54 102.52 43.16 0.00 0.00
87
+ ATOM 87 C PTH 1 92.54 102.52 44.16 0.00 0.00
88
+ ATOM 88 C PTH 1 92.54 103.52 39.16 0.00 0.00
89
+ ATOM 89 C PTH 1 92.54 103.52 40.16 0.00 0.00
90
+ ATOM 90 C PTH 1 92.54 103.52 41.16 0.00 0.00
91
+ ATOM 91 C PTH 1 92.54 103.52 42.16 0.00 0.00
92
+ ATOM 92 C PTH 1 92.54 103.52 43.16 0.00 0.00
93
+ ATOM 93 C PTH 1 92.54 103.52 44.16 0.00 0.00
94
+ ATOM 94 C PTH 1 92.54 103.52 45.16 0.00 0.00
95
+ ATOM 95 C PTH 1 92.54 104.52 39.16 0.00 0.00
96
+ ATOM 96 C PTH 1 92.54 104.52 40.16 0.00 0.00
97
+ ATOM 97 C PTH 1 92.54 104.52 41.16 0.00 0.00
98
+ ATOM 98 C PTH 1 92.54 104.52 42.16 0.00 0.00
99
+ ATOM 99 C PTH 1 92.54 104.52 43.16 0.00 0.00
100
+ ATOM 100 C PTH 1 92.54 104.52 44.16 0.00 0.00
101
+ ATOM 101 C PTH 1 92.54 104.52 45.16 0.00 0.00
102
+ ATOM 102 C PTH 1 92.54 105.52 38.16 0.00 0.00
103
+ ATOM 103 C PTH 1 92.54 105.52 39.16 0.00 0.00
104
+ ATOM 104 C PTH 1 92.54 105.52 40.16 0.00 0.00
105
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106
+ ATOM 106 C PTH 1 92.54 105.52 42.16 0.00 0.00
107
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108
+ ATOM 108 C PTH 1 92.54 105.52 44.16 0.00 0.00
109
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110
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111
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112
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113
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114
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115
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116
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117
+ ATOM 117 C PTH 1 92.54 107.52 39.16 0.00 0.00
118
+ ATOM 118 C PTH 1 92.54 107.52 40.16 0.00 0.00
119
+ ATOM 119 C PTH 1 92.54 107.52 41.16 0.00 0.00
120
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121
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122
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123
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124
+ ATOM 124 C PTH 1 93.54 101.52 41.16 0.00 0.00
125
+ ATOM 125 C PTH 1 93.54 101.52 42.16 0.00 0.00
126
+ ATOM 126 C PTH 1 93.54 101.52 43.16 0.00 0.00
127
+ ATOM 127 C PTH 1 93.54 102.52 40.16 0.00 0.00
128
+ ATOM 128 C PTH 1 93.54 102.52 41.16 0.00 0.00
129
+ ATOM 129 C PTH 1 93.54 102.52 42.16 0.00 0.00
130
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131
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132
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133
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134
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135
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136
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137
+ ATOM 137 C PTH 1 93.54 103.52 44.16 0.00 0.00
138
+ ATOM 138 C PTH 1 93.54 104.52 38.16 0.00 0.00
139
+ ATOM 139 C PTH 1 93.54 104.52 39.16 0.00 0.00
140
+ ATOM 140 C PTH 1 93.54 104.52 40.16 0.00 0.00
141
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142
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143
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144
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145
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146
+ ATOM 146 C PTH 1 93.54 105.52 38.16 0.00 0.00
147
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148
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149
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150
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151
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152
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153
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154
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155
+ ATOM 155 C PTH 1 93.54 106.52 39.16 0.00 0.00
156
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157
+ ATOM 157 C PTH 1 93.54 106.52 41.16 0.00 0.00
158
+ ATOM 158 C PTH 1 93.54 106.52 42.16 0.00 0.00
159
+ ATOM 159 C PTH 1 93.54 106.52 43.16 0.00 0.00
160
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161
+ ATOM 161 C PTH 1 93.54 107.52 39.16 0.00 0.00
162
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163
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164
+ ATOM 164 C PTH 1 93.54 107.52 42.16 0.00 0.00
165
+ ATOM 165 C PTH 1 93.54 107.52 43.16 0.00 0.00
166
+ ATOM 166 C PTH 1 94.54 103.52 43.16 0.00 0.00
167
+ ATOM 167 C PTH 1 94.54 103.52 44.16 0.00 0.00
168
+ ATOM 168 C PTH 1 94.54 104.52 39.16 0.00 0.00
169
+ ATOM 169 C PTH 1 94.54 104.52 41.16 0.00 0.00
170
+ ATOM 170 C PTH 1 94.54 104.52 42.16 0.00 0.00
171
+ ATOM 171 C PTH 1 94.54 104.52 43.16 0.00 0.00
172
+ ATOM 172 C PTH 1 94.54 104.52 44.16 0.00 0.00
173
+ ATOM 173 C PTH 1 94.54 105.52 38.16 0.00 0.00
174
+ ATOM 174 C PTH 1 94.54 105.52 39.16 0.00 0.00
175
+ ATOM 175 C PTH 1 94.54 105.52 40.16 0.00 0.00
176
+ ATOM 176 C PTH 1 94.54 105.52 41.16 0.00 0.00
177
+ ATOM 177 C PTH 1 94.54 105.52 42.16 0.00 0.00
178
+ ATOM 178 C PTH 1 94.54 105.52 43.16 0.00 0.00
179
+ ATOM 179 C PTH 1 94.54 105.52 44.16 0.00 0.00
180
+ ATOM 180 C PTH 1 94.54 106.52 38.16 0.00 0.00
181
+ ATOM 181 C PTH 1 94.54 106.52 39.16 0.00 0.00
182
+ ATOM 182 C PTH 1 94.54 106.52 40.16 0.00 0.00
183
+ ATOM 183 C PTH 1 94.54 106.52 41.16 0.00 0.00
184
+ ATOM 184 C PTH 1 94.54 106.52 42.16 0.00 0.00
185
+ ATOM 185 C PTH 1 94.54 107.52 39.16 0.00 0.00
186
+ ATOM 186 C PTH 1 94.54 107.52 40.16 0.00 0.00
187
+ ATOM 187 C PTH 1 94.54 107.52 41.16 0.00 0.00
data/files/A0014/pocket_10.pdb ADDED
@@ -0,0 +1,141 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 93.54 97.52 33.16 0.00 0.00
2
+ ATOM 2 C PTH 1 93.54 97.52 34.16 0.00 0.00
3
+ ATOM 3 C PTH 1 93.54 97.52 35.16 0.00 0.00
4
+ ATOM 4 C PTH 1 93.54 98.52 33.16 0.00 0.00
5
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6
+ ATOM 6 C PTH 1 93.54 98.52 35.16 0.00 0.00
7
+ ATOM 7 C PTH 1 93.54 99.52 33.16 0.00 0.00
8
+ ATOM 8 C PTH 1 93.54 99.52 34.16 0.00 0.00
9
+ ATOM 9 C PTH 1 93.54 99.52 35.16 0.00 0.00
10
+ ATOM 10 C PTH 1 93.54 100.52 33.16 0.00 0.00
11
+ ATOM 11 C PTH 1 93.54 100.52 34.16 0.00 0.00
12
+ ATOM 12 C PTH 1 93.54 100.52 35.16 0.00 0.00
13
+ ATOM 13 C PTH 1 94.54 96.52 34.16 0.00 0.00
14
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15
+ ATOM 15 C PTH 1 94.54 96.52 36.16 0.00 0.00
16
+ ATOM 16 C PTH 1 94.54 96.52 37.16 0.00 0.00
17
+ ATOM 17 C PTH 1 94.54 97.52 34.16 0.00 0.00
18
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19
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20
+ ATOM 20 C PTH 1 94.54 97.52 37.16 0.00 0.00
21
+ ATOM 21 C PTH 1 94.54 98.52 33.16 0.00 0.00
22
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23
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24
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25
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26
+ ATOM 26 C PTH 1 94.54 99.52 33.16 0.00 0.00
27
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28
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29
+ ATOM 29 C PTH 1 94.54 99.52 36.16 0.00 0.00
30
+ ATOM 30 C PTH 1 94.54 99.52 37.16 0.00 0.00
31
+ ATOM 31 C PTH 1 94.54 100.52 33.16 0.00 0.00
32
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33
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34
+ ATOM 34 C PTH 1 95.54 96.52 34.16 0.00 0.00
35
+ ATOM 35 C PTH 1 95.54 96.52 35.16 0.00 0.00
36
+ ATOM 36 C PTH 1 95.54 96.52 36.16 0.00 0.00
37
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38
+ ATOM 38 C PTH 1 95.54 97.52 34.16 0.00 0.00
39
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40
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41
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42
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43
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44
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45
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46
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47
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48
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49
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50
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51
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52
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53
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54
+ ATOM 54 C PTH 1 95.54 100.52 36.16 0.00 0.00
55
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56
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57
+ ATOM 57 C PTH 1 96.54 96.52 36.16 0.00 0.00
58
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59
+ ATOM 59 C PTH 1 96.54 96.52 38.16 0.00 0.00
60
+ ATOM 60 C PTH 1 96.54 97.52 34.16 0.00 0.00
61
+ ATOM 61 C PTH 1 96.54 97.52 35.16 0.00 0.00
62
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63
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64
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65
+ ATOM 65 C PTH 1 96.54 98.52 34.16 0.00 0.00
66
+ ATOM 66 C PTH 1 96.54 98.52 35.16 0.00 0.00
67
+ ATOM 67 C PTH 1 96.54 98.52 36.16 0.00 0.00
68
+ ATOM 68 C PTH 1 96.54 98.52 37.16 0.00 0.00
69
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70
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71
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72
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73
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74
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75
+ ATOM 75 C PTH 1 96.54 100.52 35.16 0.00 0.00
76
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77
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78
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79
+ ATOM 79 C PTH 1 97.54 96.52 35.16 0.00 0.00
80
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81
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82
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83
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84
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85
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86
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87
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88
+ ATOM 88 C PTH 1 97.54 97.52 38.16 0.00 0.00
89
+ ATOM 89 C PTH 1 97.54 98.52 34.16 0.00 0.00
90
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91
+ ATOM 91 C PTH 1 97.54 98.52 36.16 0.00 0.00
92
+ ATOM 92 C PTH 1 97.54 98.52 37.16 0.00 0.00
93
+ ATOM 93 C PTH 1 97.54 98.52 38.16 0.00 0.00
94
+ ATOM 94 C PTH 1 97.54 99.52 34.16 0.00 0.00
95
+ ATOM 95 C PTH 1 97.54 99.52 35.16 0.00 0.00
96
+ ATOM 96 C PTH 1 97.54 99.52 36.16 0.00 0.00
97
+ ATOM 97 C PTH 1 97.54 99.52 37.16 0.00 0.00
98
+ ATOM 98 C PTH 1 97.54 99.52 38.16 0.00 0.00
99
+ ATOM 99 C PTH 1 97.54 100.52 35.16 0.00 0.00
100
+ ATOM 100 C PTH 1 97.54 100.52 36.16 0.00 0.00
101
+ ATOM 101 C PTH 1 97.54 100.52 37.16 0.00 0.00
102
+ ATOM 102 C PTH 1 98.54 95.52 39.16 0.00 0.00
103
+ ATOM 103 C PTH 1 98.54 96.52 36.16 0.00 0.00
104
+ ATOM 104 C PTH 1 98.54 96.52 37.16 0.00 0.00
105
+ ATOM 105 C PTH 1 98.54 96.52 38.16 0.00 0.00
106
+ ATOM 106 C PTH 1 98.54 96.52 39.16 0.00 0.00
107
+ ATOM 107 C PTH 1 98.54 97.52 35.16 0.00 0.00
108
+ ATOM 108 C PTH 1 98.54 97.52 36.16 0.00 0.00
109
+ ATOM 109 C PTH 1 98.54 97.52 37.16 0.00 0.00
110
+ ATOM 110 C PTH 1 98.54 97.52 38.16 0.00 0.00
111
+ ATOM 111 C PTH 1 98.54 97.52 39.16 0.00 0.00
112
+ ATOM 112 C PTH 1 98.54 98.52 35.16 0.00 0.00
113
+ ATOM 113 C PTH 1 98.54 98.52 36.16 0.00 0.00
114
+ ATOM 114 C PTH 1 98.54 98.52 37.16 0.00 0.00
115
+ ATOM 115 C PTH 1 98.54 98.52 38.16 0.00 0.00
116
+ ATOM 116 C PTH 1 98.54 98.52 39.16 0.00 0.00
117
+ ATOM 117 C PTH 1 98.54 99.52 35.16 0.00 0.00
118
+ ATOM 118 C PTH 1 98.54 99.52 36.16 0.00 0.00
119
+ ATOM 119 C PTH 1 98.54 99.52 37.16 0.00 0.00
120
+ ATOM 120 C PTH 1 98.54 99.52 38.16 0.00 0.00
121
+ ATOM 121 C PTH 1 99.54 95.52 39.16 0.00 0.00
122
+ ATOM 122 C PTH 1 99.54 96.52 36.16 0.00 0.00
123
+ ATOM 123 C PTH 1 99.54 96.52 37.16 0.00 0.00
124
+ ATOM 124 C PTH 1 99.54 96.52 38.16 0.00 0.00
125
+ ATOM 125 C PTH 1 99.54 96.52 39.16 0.00 0.00
126
+ ATOM 126 C PTH 1 99.54 97.52 36.16 0.00 0.00
127
+ ATOM 127 C PTH 1 99.54 97.52 37.16 0.00 0.00
128
+ ATOM 128 C PTH 1 99.54 97.52 38.16 0.00 0.00
129
+ ATOM 129 C PTH 1 99.54 97.52 39.16 0.00 0.00
130
+ ATOM 130 C PTH 1 99.54 98.52 36.16 0.00 0.00
131
+ ATOM 131 C PTH 1 99.54 98.52 37.16 0.00 0.00
132
+ ATOM 132 C PTH 1 99.54 98.52 38.16 0.00 0.00
133
+ ATOM 133 C PTH 1 99.54 98.52 39.16 0.00 0.00
134
+ ATOM 134 C PTH 1 99.54 99.52 36.16 0.00 0.00
135
+ ATOM 135 C PTH 1 99.54 99.52 37.16 0.00 0.00
136
+ ATOM 136 C PTH 1 99.54 99.52 38.16 0.00 0.00
137
+ ATOM 137 C PTH 1 100.54 95.52 39.16 0.00 0.00
138
+ ATOM 138 C PTH 1 100.54 96.52 38.16 0.00 0.00
139
+ ATOM 139 C PTH 1 100.54 96.52 39.16 0.00 0.00
140
+ ATOM 140 C PTH 1 100.54 97.52 38.16 0.00 0.00
141
+ ATOM 141 C PTH 1 100.54 97.52 39.16 0.00 0.00
data/files/A0014/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A0016/pocket_01.pdb ADDED
@@ -0,0 +1,323 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 57.56 112.34 44.98 0.00 0.00
2
+ ATOM 2 C PTH 1 57.56 112.34 45.98 0.00 0.00
3
+ ATOM 3 C PTH 1 57.56 112.34 46.98 0.00 0.00
4
+ ATOM 4 C PTH 1 57.56 113.34 43.98 0.00 0.00
5
+ ATOM 5 C PTH 1 57.56 113.34 44.98 0.00 0.00
6
+ ATOM 6 C PTH 1 57.56 113.34 45.98 0.00 0.00
7
+ ATOM 7 C PTH 1 57.56 114.34 43.98 0.00 0.00
8
+ ATOM 8 C PTH 1 57.56 114.34 44.98 0.00 0.00
9
+ ATOM 9 C PTH 1 57.56 114.34 45.98 0.00 0.00
10
+ ATOM 10 C PTH 1 57.56 114.34 46.98 0.00 0.00
11
+ ATOM 11 C PTH 1 57.56 115.34 43.98 0.00 0.00
12
+ ATOM 12 C PTH 1 57.56 115.34 44.98 0.00 0.00
13
+ ATOM 13 C PTH 1 57.56 115.34 45.98 0.00 0.00
14
+ ATOM 14 C PTH 1 57.56 115.34 46.98 0.00 0.00
15
+ ATOM 15 C PTH 1 57.56 116.34 43.98 0.00 0.00
16
+ ATOM 16 C PTH 1 57.56 116.34 44.98 0.00 0.00
17
+ ATOM 17 C PTH 1 58.56 109.34 45.98 0.00 0.00
18
+ ATOM 18 C PTH 1 58.56 109.34 46.98 0.00 0.00
19
+ ATOM 19 C PTH 1 58.56 110.34 44.98 0.00 0.00
20
+ ATOM 20 C PTH 1 58.56 110.34 45.98 0.00 0.00
21
+ ATOM 21 C PTH 1 58.56 110.34 46.98 0.00 0.00
22
+ ATOM 22 C PTH 1 58.56 110.34 47.98 0.00 0.00
23
+ ATOM 23 C PTH 1 58.56 110.34 48.98 0.00 0.00
24
+ ATOM 24 C PTH 1 58.56 110.34 49.98 0.00 0.00
25
+ ATOM 25 C PTH 1 58.56 111.34 43.98 0.00 0.00
26
+ ATOM 26 C PTH 1 58.56 111.34 44.98 0.00 0.00
27
+ ATOM 27 C PTH 1 58.56 111.34 45.98 0.00 0.00
28
+ ATOM 28 C PTH 1 58.56 111.34 46.98 0.00 0.00
29
+ ATOM 29 C PTH 1 58.56 111.34 47.98 0.00 0.00
30
+ ATOM 30 C PTH 1 58.56 111.34 48.98 0.00 0.00
31
+ ATOM 31 C PTH 1 58.56 111.34 49.98 0.00 0.00
32
+ ATOM 32 C PTH 1 58.56 112.34 43.98 0.00 0.00
33
+ ATOM 33 C PTH 1 58.56 112.34 44.98 0.00 0.00
34
+ ATOM 34 C PTH 1 58.56 112.34 45.98 0.00 0.00
35
+ ATOM 35 C PTH 1 58.56 112.34 46.98 0.00 0.00
36
+ ATOM 36 C PTH 1 58.56 112.34 47.98 0.00 0.00
37
+ ATOM 37 C PTH 1 58.56 113.34 42.98 0.00 0.00
38
+ ATOM 38 C PTH 1 58.56 113.34 43.98 0.00 0.00
39
+ ATOM 39 C PTH 1 58.56 113.34 44.98 0.00 0.00
40
+ ATOM 40 C PTH 1 58.56 113.34 45.98 0.00 0.00
41
+ ATOM 41 C PTH 1 58.56 113.34 46.98 0.00 0.00
42
+ ATOM 42 C PTH 1 58.56 113.34 47.98 0.00 0.00
43
+ ATOM 43 C PTH 1 58.56 114.34 42.98 0.00 0.00
44
+ ATOM 44 C PTH 1 58.56 114.34 43.98 0.00 0.00
45
+ ATOM 45 C PTH 1 58.56 114.34 44.98 0.00 0.00
46
+ ATOM 46 C PTH 1 58.56 114.34 45.98 0.00 0.00
47
+ ATOM 47 C PTH 1 58.56 114.34 46.98 0.00 0.00
48
+ ATOM 48 C PTH 1 58.56 114.34 47.98 0.00 0.00
49
+ ATOM 49 C PTH 1 58.56 115.34 42.98 0.00 0.00
50
+ ATOM 50 C PTH 1 58.56 115.34 43.98 0.00 0.00
51
+ ATOM 51 C PTH 1 58.56 115.34 44.98 0.00 0.00
52
+ ATOM 52 C PTH 1 58.56 115.34 45.98 0.00 0.00
53
+ ATOM 53 C PTH 1 58.56 115.34 46.98 0.00 0.00
54
+ ATOM 54 C PTH 1 58.56 115.34 47.98 0.00 0.00
55
+ ATOM 55 C PTH 1 58.56 116.34 42.98 0.00 0.00
56
+ ATOM 56 C PTH 1 58.56 116.34 43.98 0.00 0.00
57
+ ATOM 57 C PTH 1 58.56 116.34 44.98 0.00 0.00
58
+ ATOM 58 C PTH 1 58.56 116.34 45.98 0.00 0.00
59
+ ATOM 59 C PTH 1 58.56 117.34 43.98 0.00 0.00
60
+ ATOM 60 C PTH 1 58.56 117.34 44.98 0.00 0.00
61
+ ATOM 61 C PTH 1 59.56 108.34 44.98 0.00 0.00
62
+ ATOM 62 C PTH 1 59.56 108.34 45.98 0.00 0.00
63
+ ATOM 63 C PTH 1 59.56 108.34 46.98 0.00 0.00
64
+ ATOM 64 C PTH 1 59.56 108.34 47.98 0.00 0.00
65
+ ATOM 65 C PTH 1 59.56 108.34 48.98 0.00 0.00
66
+ ATOM 66 C PTH 1 59.56 108.34 49.98 0.00 0.00
67
+ ATOM 67 C PTH 1 59.56 109.34 44.98 0.00 0.00
68
+ ATOM 68 C PTH 1 59.56 109.34 45.98 0.00 0.00
69
+ ATOM 69 C PTH 1 59.56 109.34 46.98 0.00 0.00
70
+ ATOM 70 C PTH 1 59.56 109.34 47.98 0.00 0.00
71
+ ATOM 71 C PTH 1 59.56 109.34 48.98 0.00 0.00
72
+ ATOM 72 C PTH 1 59.56 109.34 49.98 0.00 0.00
73
+ ATOM 73 C PTH 1 59.56 109.34 50.98 0.00 0.00
74
+ ATOM 74 C PTH 1 59.56 110.34 43.98 0.00 0.00
75
+ ATOM 75 C PTH 1 59.56 110.34 44.98 0.00 0.00
76
+ ATOM 76 C PTH 1 59.56 110.34 45.98 0.00 0.00
77
+ ATOM 77 C PTH 1 59.56 110.34 46.98 0.00 0.00
78
+ ATOM 78 C PTH 1 59.56 110.34 47.98 0.00 0.00
79
+ ATOM 79 C PTH 1 59.56 110.34 48.98 0.00 0.00
80
+ ATOM 80 C PTH 1 59.56 110.34 49.98 0.00 0.00
81
+ ATOM 81 C PTH 1 59.56 110.34 50.98 0.00 0.00
82
+ ATOM 82 C PTH 1 59.56 111.34 43.98 0.00 0.00
83
+ ATOM 83 C PTH 1 59.56 111.34 44.98 0.00 0.00
84
+ ATOM 84 C PTH 1 59.56 111.34 45.98 0.00 0.00
85
+ ATOM 85 C PTH 1 59.56 111.34 46.98 0.00 0.00
86
+ ATOM 86 C PTH 1 59.56 111.34 47.98 0.00 0.00
87
+ ATOM 87 C PTH 1 59.56 111.34 48.98 0.00 0.00
88
+ ATOM 88 C PTH 1 59.56 111.34 49.98 0.00 0.00
89
+ ATOM 89 C PTH 1 59.56 111.34 50.98 0.00 0.00
90
+ ATOM 90 C PTH 1 59.56 112.34 42.98 0.00 0.00
91
+ ATOM 91 C PTH 1 59.56 112.34 43.98 0.00 0.00
92
+ ATOM 92 C PTH 1 59.56 112.34 44.98 0.00 0.00
93
+ ATOM 93 C PTH 1 59.56 112.34 45.98 0.00 0.00
94
+ ATOM 94 C PTH 1 59.56 112.34 46.98 0.00 0.00
95
+ ATOM 95 C PTH 1 59.56 112.34 47.98 0.00 0.00
96
+ ATOM 96 C PTH 1 59.56 112.34 48.98 0.00 0.00
97
+ ATOM 97 C PTH 1 59.56 112.34 49.98 0.00 0.00
98
+ ATOM 98 C PTH 1 59.56 112.34 50.98 0.00 0.00
99
+ ATOM 99 C PTH 1 59.56 113.34 42.98 0.00 0.00
100
+ ATOM 100 C PTH 1 59.56 113.34 43.98 0.00 0.00
101
+ ATOM 101 C PTH 1 59.56 113.34 44.98 0.00 0.00
102
+ ATOM 102 C PTH 1 59.56 113.34 45.98 0.00 0.00
103
+ ATOM 103 C PTH 1 59.56 113.34 46.98 0.00 0.00
104
+ ATOM 104 C PTH 1 59.56 113.34 47.98 0.00 0.00
105
+ ATOM 105 C PTH 1 59.56 113.34 48.98 0.00 0.00
106
+ ATOM 106 C PTH 1 59.56 113.34 49.98 0.00 0.00
107
+ ATOM 107 C PTH 1 59.56 113.34 50.98 0.00 0.00
108
+ ATOM 108 C PTH 1 59.56 114.34 42.98 0.00 0.00
109
+ ATOM 109 C PTH 1 59.56 114.34 43.98 0.00 0.00
110
+ ATOM 110 C PTH 1 59.56 114.34 44.98 0.00 0.00
111
+ ATOM 111 C PTH 1 59.56 114.34 45.98 0.00 0.00
112
+ ATOM 112 C PTH 1 59.56 114.34 46.98 0.00 0.00
113
+ ATOM 113 C PTH 1 59.56 114.34 47.98 0.00 0.00
114
+ ATOM 114 C PTH 1 59.56 114.34 48.98 0.00 0.00
115
+ ATOM 115 C PTH 1 59.56 114.34 49.98 0.00 0.00
116
+ ATOM 116 C PTH 1 59.56 115.34 42.98 0.00 0.00
117
+ ATOM 117 C PTH 1 59.56 115.34 43.98 0.00 0.00
118
+ ATOM 118 C PTH 1 59.56 115.34 44.98 0.00 0.00
119
+ ATOM 119 C PTH 1 59.56 115.34 45.98 0.00 0.00
120
+ ATOM 120 C PTH 1 59.56 115.34 46.98 0.00 0.00
121
+ ATOM 121 C PTH 1 59.56 115.34 47.98 0.00 0.00
122
+ ATOM 122 C PTH 1 59.56 115.34 48.98 0.00 0.00
123
+ ATOM 123 C PTH 1 59.56 116.34 42.98 0.00 0.00
124
+ ATOM 124 C PTH 1 59.56 116.34 43.98 0.00 0.00
125
+ ATOM 125 C PTH 1 59.56 116.34 44.98 0.00 0.00
126
+ ATOM 126 C PTH 1 59.56 116.34 45.98 0.00 0.00
127
+ ATOM 127 C PTH 1 59.56 117.34 43.98 0.00 0.00
128
+ ATOM 128 C PTH 1 59.56 117.34 44.98 0.00 0.00
129
+ ATOM 129 C PTH 1 60.56 107.34 45.98 0.00 0.00
130
+ ATOM 130 C PTH 1 60.56 107.34 46.98 0.00 0.00
131
+ ATOM 131 C PTH 1 60.56 107.34 47.98 0.00 0.00
132
+ ATOM 132 C PTH 1 60.56 107.34 48.98 0.00 0.00
133
+ ATOM 133 C PTH 1 60.56 107.34 49.98 0.00 0.00
134
+ ATOM 134 C PTH 1 60.56 108.34 44.98 0.00 0.00
135
+ ATOM 135 C PTH 1 60.56 108.34 45.98 0.00 0.00
136
+ ATOM 136 C PTH 1 60.56 108.34 46.98 0.00 0.00
137
+ ATOM 137 C PTH 1 60.56 108.34 47.98 0.00 0.00
138
+ ATOM 138 C PTH 1 60.56 108.34 48.98 0.00 0.00
139
+ ATOM 139 C PTH 1 60.56 108.34 49.98 0.00 0.00
140
+ ATOM 140 C PTH 1 60.56 109.34 43.98 0.00 0.00
141
+ ATOM 141 C PTH 1 60.56 109.34 44.98 0.00 0.00
142
+ ATOM 142 C PTH 1 60.56 109.34 45.98 0.00 0.00
143
+ ATOM 143 C PTH 1 60.56 109.34 46.98 0.00 0.00
144
+ ATOM 144 C PTH 1 60.56 109.34 47.98 0.00 0.00
145
+ ATOM 145 C PTH 1 60.56 109.34 48.98 0.00 0.00
146
+ ATOM 146 C PTH 1 60.56 109.34 49.98 0.00 0.00
147
+ ATOM 147 C PTH 1 60.56 109.34 50.98 0.00 0.00
148
+ ATOM 148 C PTH 1 60.56 110.34 43.98 0.00 0.00
149
+ ATOM 149 C PTH 1 60.56 110.34 44.98 0.00 0.00
150
+ ATOM 150 C PTH 1 60.56 110.34 45.98 0.00 0.00
151
+ ATOM 151 C PTH 1 60.56 110.34 46.98 0.00 0.00
152
+ ATOM 152 C PTH 1 60.56 110.34 47.98 0.00 0.00
153
+ ATOM 153 C PTH 1 60.56 110.34 48.98 0.00 0.00
154
+ ATOM 154 C PTH 1 60.56 110.34 49.98 0.00 0.00
155
+ ATOM 155 C PTH 1 60.56 110.34 50.98 0.00 0.00
156
+ ATOM 156 C PTH 1 60.56 111.34 43.98 0.00 0.00
157
+ ATOM 157 C PTH 1 60.56 111.34 44.98 0.00 0.00
158
+ ATOM 158 C PTH 1 60.56 111.34 45.98 0.00 0.00
159
+ ATOM 159 C PTH 1 60.56 111.34 46.98 0.00 0.00
160
+ ATOM 160 C PTH 1 60.56 111.34 47.98 0.00 0.00
161
+ ATOM 161 C PTH 1 60.56 111.34 48.98 0.00 0.00
162
+ ATOM 162 C PTH 1 60.56 111.34 49.98 0.00 0.00
163
+ ATOM 163 C PTH 1 60.56 111.34 50.98 0.00 0.00
164
+ ATOM 164 C PTH 1 60.56 112.34 42.98 0.00 0.00
165
+ ATOM 165 C PTH 1 60.56 112.34 43.98 0.00 0.00
166
+ ATOM 166 C PTH 1 60.56 112.34 44.98 0.00 0.00
167
+ ATOM 167 C PTH 1 60.56 112.34 45.98 0.00 0.00
168
+ ATOM 168 C PTH 1 60.56 112.34 46.98 0.00 0.00
169
+ ATOM 169 C PTH 1 60.56 112.34 47.98 0.00 0.00
170
+ ATOM 170 C PTH 1 60.56 112.34 48.98 0.00 0.00
171
+ ATOM 171 C PTH 1 60.56 112.34 49.98 0.00 0.00
172
+ ATOM 172 C PTH 1 60.56 112.34 50.98 0.00 0.00
173
+ ATOM 173 C PTH 1 60.56 113.34 42.98 0.00 0.00
174
+ ATOM 174 C PTH 1 60.56 113.34 43.98 0.00 0.00
175
+ ATOM 175 C PTH 1 60.56 113.34 44.98 0.00 0.00
176
+ ATOM 176 C PTH 1 60.56 113.34 45.98 0.00 0.00
177
+ ATOM 177 C PTH 1 60.56 113.34 46.98 0.00 0.00
178
+ ATOM 178 C PTH 1 60.56 113.34 47.98 0.00 0.00
179
+ ATOM 179 C PTH 1 60.56 113.34 48.98 0.00 0.00
180
+ ATOM 180 C PTH 1 60.56 113.34 49.98 0.00 0.00
181
+ ATOM 181 C PTH 1 60.56 113.34 50.98 0.00 0.00
182
+ ATOM 182 C PTH 1 60.56 114.34 42.98 0.00 0.00
183
+ ATOM 183 C PTH 1 60.56 114.34 43.98 0.00 0.00
184
+ ATOM 184 C PTH 1 60.56 114.34 44.98 0.00 0.00
185
+ ATOM 185 C PTH 1 60.56 114.34 45.98 0.00 0.00
186
+ ATOM 186 C PTH 1 60.56 114.34 46.98 0.00 0.00
187
+ ATOM 187 C PTH 1 60.56 114.34 47.98 0.00 0.00
188
+ ATOM 188 C PTH 1 60.56 114.34 48.98 0.00 0.00
189
+ ATOM 189 C PTH 1 60.56 114.34 49.98 0.00 0.00
190
+ ATOM 190 C PTH 1 60.56 115.34 42.98 0.00 0.00
191
+ ATOM 191 C PTH 1 60.56 115.34 43.98 0.00 0.00
192
+ ATOM 192 C PTH 1 60.56 115.34 44.98 0.00 0.00
193
+ ATOM 193 C PTH 1 60.56 115.34 45.98 0.00 0.00
194
+ ATOM 194 C PTH 1 60.56 115.34 46.98 0.00 0.00
195
+ ATOM 195 C PTH 1 60.56 116.34 43.98 0.00 0.00
196
+ ATOM 196 C PTH 1 60.56 116.34 44.98 0.00 0.00
197
+ ATOM 197 C PTH 1 60.56 116.34 45.98 0.00 0.00
198
+ ATOM 198 C PTH 1 61.56 106.34 47.98 0.00 0.00
199
+ ATOM 199 C PTH 1 61.56 107.34 45.98 0.00 0.00
200
+ ATOM 200 C PTH 1 61.56 107.34 46.98 0.00 0.00
201
+ ATOM 201 C PTH 1 61.56 107.34 47.98 0.00 0.00
202
+ ATOM 202 C PTH 1 61.56 107.34 48.98 0.00 0.00
203
+ ATOM 203 C PTH 1 61.56 107.34 49.98 0.00 0.00
204
+ ATOM 204 C PTH 1 61.56 108.34 44.98 0.00 0.00
205
+ ATOM 205 C PTH 1 61.56 108.34 45.98 0.00 0.00
206
+ ATOM 206 C PTH 1 61.56 108.34 46.98 0.00 0.00
207
+ ATOM 207 C PTH 1 61.56 108.34 47.98 0.00 0.00
208
+ ATOM 208 C PTH 1 61.56 108.34 48.98 0.00 0.00
209
+ ATOM 209 C PTH 1 61.56 108.34 49.98 0.00 0.00
210
+ ATOM 210 C PTH 1 61.56 109.34 43.98 0.00 0.00
211
+ ATOM 211 C PTH 1 61.56 109.34 44.98 0.00 0.00
212
+ ATOM 212 C PTH 1 61.56 109.34 45.98 0.00 0.00
213
+ ATOM 213 C PTH 1 61.56 109.34 46.98 0.00 0.00
214
+ ATOM 214 C PTH 1 61.56 109.34 47.98 0.00 0.00
215
+ ATOM 215 C PTH 1 61.56 109.34 48.98 0.00 0.00
216
+ ATOM 216 C PTH 1 61.56 109.34 49.98 0.00 0.00
217
+ ATOM 217 C PTH 1 61.56 109.34 50.98 0.00 0.00
218
+ ATOM 218 C PTH 1 61.56 110.34 43.98 0.00 0.00
219
+ ATOM 219 C PTH 1 61.56 110.34 44.98 0.00 0.00
220
+ ATOM 220 C PTH 1 61.56 110.34 45.98 0.00 0.00
221
+ ATOM 221 C PTH 1 61.56 110.34 46.98 0.00 0.00
222
+ ATOM 222 C PTH 1 61.56 110.34 47.98 0.00 0.00
223
+ ATOM 223 C PTH 1 61.56 110.34 48.98 0.00 0.00
224
+ ATOM 224 C PTH 1 61.56 110.34 49.98 0.00 0.00
225
+ ATOM 225 C PTH 1 61.56 110.34 50.98 0.00 0.00
226
+ ATOM 226 C PTH 1 61.56 111.34 43.98 0.00 0.00
227
+ ATOM 227 C PTH 1 61.56 111.34 44.98 0.00 0.00
228
+ ATOM 228 C PTH 1 61.56 111.34 45.98 0.00 0.00
229
+ ATOM 229 C PTH 1 61.56 111.34 46.98 0.00 0.00
230
+ ATOM 230 C PTH 1 61.56 111.34 47.98 0.00 0.00
231
+ ATOM 231 C PTH 1 61.56 111.34 48.98 0.00 0.00
232
+ ATOM 232 C PTH 1 61.56 111.34 49.98 0.00 0.00
233
+ ATOM 233 C PTH 1 61.56 111.34 50.98 0.00 0.00
234
+ ATOM 234 C PTH 1 61.56 112.34 43.98 0.00 0.00
235
+ ATOM 235 C PTH 1 61.56 112.34 44.98 0.00 0.00
236
+ ATOM 236 C PTH 1 61.56 112.34 45.98 0.00 0.00
237
+ ATOM 237 C PTH 1 61.56 112.34 46.98 0.00 0.00
238
+ ATOM 238 C PTH 1 61.56 112.34 47.98 0.00 0.00
239
+ ATOM 239 C PTH 1 61.56 112.34 48.98 0.00 0.00
240
+ ATOM 240 C PTH 1 61.56 112.34 49.98 0.00 0.00
241
+ ATOM 241 C PTH 1 61.56 112.34 50.98 0.00 0.00
242
+ ATOM 242 C PTH 1 61.56 113.34 42.98 0.00 0.00
243
+ ATOM 243 C PTH 1 61.56 113.34 43.98 0.00 0.00
244
+ ATOM 244 C PTH 1 61.56 113.34 44.98 0.00 0.00
245
+ ATOM 245 C PTH 1 61.56 113.34 45.98 0.00 0.00
246
+ ATOM 246 C PTH 1 61.56 113.34 46.98 0.00 0.00
247
+ ATOM 247 C PTH 1 61.56 113.34 47.98 0.00 0.00
248
+ ATOM 248 C PTH 1 61.56 113.34 48.98 0.00 0.00
249
+ ATOM 249 C PTH 1 61.56 113.34 49.98 0.00 0.00
250
+ ATOM 250 C PTH 1 61.56 114.34 43.98 0.00 0.00
251
+ ATOM 251 C PTH 1 61.56 114.34 44.98 0.00 0.00
252
+ ATOM 252 C PTH 1 61.56 114.34 45.98 0.00 0.00
253
+ ATOM 253 C PTH 1 61.56 114.34 46.98 0.00 0.00
254
+ ATOM 254 C PTH 1 61.56 114.34 47.98 0.00 0.00
255
+ ATOM 255 C PTH 1 61.56 114.34 48.98 0.00 0.00
256
+ ATOM 256 C PTH 1 61.56 114.34 49.98 0.00 0.00
257
+ ATOM 257 C PTH 1 61.56 115.34 43.98 0.00 0.00
258
+ ATOM 258 C PTH 1 62.56 106.34 47.98 0.00 0.00
259
+ ATOM 259 C PTH 1 62.56 107.34 46.98 0.00 0.00
260
+ ATOM 260 C PTH 1 62.56 107.34 47.98 0.00 0.00
261
+ ATOM 261 C PTH 1 62.56 107.34 48.98 0.00 0.00
262
+ ATOM 262 C PTH 1 62.56 107.34 49.98 0.00 0.00
263
+ ATOM 263 C PTH 1 62.56 108.34 44.98 0.00 0.00
264
+ ATOM 264 C PTH 1 62.56 108.34 45.98 0.00 0.00
265
+ ATOM 265 C PTH 1 62.56 108.34 46.98 0.00 0.00
266
+ ATOM 266 C PTH 1 62.56 108.34 47.98 0.00 0.00
267
+ ATOM 267 C PTH 1 62.56 108.34 48.98 0.00 0.00
268
+ ATOM 268 C PTH 1 62.56 108.34 49.98 0.00 0.00
269
+ ATOM 269 C PTH 1 62.56 109.34 44.98 0.00 0.00
270
+ ATOM 270 C PTH 1 62.56 109.34 45.98 0.00 0.00
271
+ ATOM 271 C PTH 1 62.56 109.34 46.98 0.00 0.00
272
+ ATOM 272 C PTH 1 62.56 109.34 47.98 0.00 0.00
273
+ ATOM 273 C PTH 1 62.56 109.34 48.98 0.00 0.00
274
+ ATOM 274 C PTH 1 62.56 109.34 49.98 0.00 0.00
275
+ ATOM 275 C PTH 1 62.56 110.34 44.98 0.00 0.00
276
+ ATOM 276 C PTH 1 62.56 110.34 45.98 0.00 0.00
277
+ ATOM 277 C PTH 1 62.56 110.34 46.98 0.00 0.00
278
+ ATOM 278 C PTH 1 62.56 110.34 47.98 0.00 0.00
279
+ ATOM 279 C PTH 1 62.56 110.34 48.98 0.00 0.00
280
+ ATOM 280 C PTH 1 62.56 110.34 49.98 0.00 0.00
281
+ ATOM 281 C PTH 1 62.56 111.34 44.98 0.00 0.00
282
+ ATOM 282 C PTH 1 62.56 111.34 45.98 0.00 0.00
283
+ ATOM 283 C PTH 1 62.56 111.34 46.98 0.00 0.00
284
+ ATOM 284 C PTH 1 62.56 111.34 47.98 0.00 0.00
285
+ ATOM 285 C PTH 1 62.56 111.34 48.98 0.00 0.00
286
+ ATOM 286 C PTH 1 62.56 111.34 49.98 0.00 0.00
287
+ ATOM 287 C PTH 1 62.56 111.34 50.98 0.00 0.00
288
+ ATOM 288 C PTH 1 62.56 112.34 44.98 0.00 0.00
289
+ ATOM 289 C PTH 1 62.56 112.34 45.98 0.00 0.00
290
+ ATOM 290 C PTH 1 62.56 112.34 46.98 0.00 0.00
291
+ ATOM 291 C PTH 1 62.56 112.34 47.98 0.00 0.00
292
+ ATOM 292 C PTH 1 62.56 112.34 48.98 0.00 0.00
293
+ ATOM 293 C PTH 1 62.56 112.34 49.98 0.00 0.00
294
+ ATOM 294 C PTH 1 62.56 113.34 46.98 0.00 0.00
295
+ ATOM 295 C PTH 1 62.56 113.34 47.98 0.00 0.00
296
+ ATOM 296 C PTH 1 62.56 113.34 48.98 0.00 0.00
297
+ ATOM 297 C PTH 1 62.56 113.34 49.98 0.00 0.00
298
+ ATOM 298 C PTH 1 63.56 108.34 46.98 0.00 0.00
299
+ ATOM 299 C PTH 1 63.56 108.34 47.98 0.00 0.00
300
+ ATOM 300 C PTH 1 63.56 108.34 48.98 0.00 0.00
301
+ ATOM 301 C PTH 1 63.56 109.34 45.98 0.00 0.00
302
+ ATOM 302 C PTH 1 63.56 109.34 46.98 0.00 0.00
303
+ ATOM 303 C PTH 1 63.56 109.34 47.98 0.00 0.00
304
+ ATOM 304 C PTH 1 63.56 109.34 48.98 0.00 0.00
305
+ ATOM 305 C PTH 1 63.56 109.34 49.98 0.00 0.00
306
+ ATOM 306 C PTH 1 63.56 110.34 45.98 0.00 0.00
307
+ ATOM 307 C PTH 1 63.56 110.34 46.98 0.00 0.00
308
+ ATOM 308 C PTH 1 63.56 110.34 47.98 0.00 0.00
309
+ ATOM 309 C PTH 1 63.56 110.34 48.98 0.00 0.00
310
+ ATOM 310 C PTH 1 63.56 110.34 49.98 0.00 0.00
311
+ ATOM 311 C PTH 1 63.56 111.34 45.98 0.00 0.00
312
+ ATOM 312 C PTH 1 63.56 111.34 46.98 0.00 0.00
313
+ ATOM 313 C PTH 1 63.56 111.34 47.98 0.00 0.00
314
+ ATOM 314 C PTH 1 63.56 111.34 48.98 0.00 0.00
315
+ ATOM 315 C PTH 1 63.56 111.34 49.98 0.00 0.00
316
+ ATOM 316 C PTH 1 63.56 112.34 47.98 0.00 0.00
317
+ ATOM 317 C PTH 1 63.56 112.34 48.98 0.00 0.00
318
+ ATOM 318 C PTH 1 64.56 109.34 47.98 0.00 0.00
319
+ ATOM 319 C PTH 1 64.56 110.34 47.98 0.00 0.00
320
+ ATOM 320 C PTH 1 64.56 110.34 48.98 0.00 0.00
321
+ ATOM 321 C PTH 1 64.56 111.34 46.98 0.00 0.00
322
+ ATOM 322 C PTH 1 64.56 111.34 47.98 0.00 0.00
323
+ ATOM 323 C PTH 1 64.56 111.34 48.98 0.00 0.00
data/files/A0016/pocket_02.pdb ADDED
@@ -0,0 +1,285 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 95.56 150.34 78.98 0.00 0.00
2
+ ATOM 2 C PTH 1 95.56 151.34 76.98 0.00 0.00
3
+ ATOM 3 C PTH 1 95.56 151.34 77.98 0.00 0.00
4
+ ATOM 4 C PTH 1 95.56 151.34 78.98 0.00 0.00
5
+ ATOM 5 C PTH 1 95.56 152.34 76.98 0.00 0.00
6
+ ATOM 6 C PTH 1 95.56 152.34 77.98 0.00 0.00
7
+ ATOM 7 C PTH 1 95.56 152.34 78.98 0.00 0.00
8
+ ATOM 8 C PTH 1 95.56 153.34 76.98 0.00 0.00
9
+ ATOM 9 C PTH 1 95.56 153.34 77.98 0.00 0.00
10
+ ATOM 10 C PTH 1 95.56 153.34 78.98 0.00 0.00
11
+ ATOM 11 C PTH 1 95.56 154.34 76.98 0.00 0.00
12
+ ATOM 12 C PTH 1 95.56 154.34 77.98 0.00 0.00
13
+ ATOM 13 C PTH 1 95.56 154.34 78.98 0.00 0.00
14
+ ATOM 14 C PTH 1 96.56 149.34 74.98 0.00 0.00
15
+ ATOM 15 C PTH 1 96.56 149.34 75.98 0.00 0.00
16
+ ATOM 16 C PTH 1 96.56 149.34 76.98 0.00 0.00
17
+ ATOM 17 C PTH 1 96.56 149.34 77.98 0.00 0.00
18
+ ATOM 18 C PTH 1 96.56 149.34 78.98 0.00 0.00
19
+ ATOM 19 C PTH 1 96.56 150.34 73.98 0.00 0.00
20
+ ATOM 20 C PTH 1 96.56 150.34 74.98 0.00 0.00
21
+ ATOM 21 C PTH 1 96.56 150.34 75.98 0.00 0.00
22
+ ATOM 22 C PTH 1 96.56 150.34 76.98 0.00 0.00
23
+ ATOM 23 C PTH 1 96.56 150.34 77.98 0.00 0.00
24
+ ATOM 24 C PTH 1 96.56 150.34 78.98 0.00 0.00
25
+ ATOM 25 C PTH 1 96.56 150.34 79.98 0.00 0.00
26
+ ATOM 26 C PTH 1 96.56 151.34 72.98 0.00 0.00
27
+ ATOM 27 C PTH 1 96.56 151.34 73.98 0.00 0.00
28
+ ATOM 28 C PTH 1 96.56 151.34 74.98 0.00 0.00
29
+ ATOM 29 C PTH 1 96.56 151.34 75.98 0.00 0.00
30
+ ATOM 30 C PTH 1 96.56 151.34 76.98 0.00 0.00
31
+ ATOM 31 C PTH 1 96.56 151.34 77.98 0.00 0.00
32
+ ATOM 32 C PTH 1 96.56 151.34 78.98 0.00 0.00
33
+ ATOM 33 C PTH 1 96.56 151.34 79.98 0.00 0.00
34
+ ATOM 34 C PTH 1 96.56 152.34 73.98 0.00 0.00
35
+ ATOM 35 C PTH 1 96.56 152.34 74.98 0.00 0.00
36
+ ATOM 36 C PTH 1 96.56 152.34 75.98 0.00 0.00
37
+ ATOM 37 C PTH 1 96.56 152.34 76.98 0.00 0.00
38
+ ATOM 38 C PTH 1 96.56 152.34 77.98 0.00 0.00
39
+ ATOM 39 C PTH 1 96.56 152.34 78.98 0.00 0.00
40
+ ATOM 40 C PTH 1 96.56 152.34 79.98 0.00 0.00
41
+ ATOM 41 C PTH 1 96.56 152.34 80.98 0.00 0.00
42
+ ATOM 42 C PTH 1 96.56 153.34 74.98 0.00 0.00
43
+ ATOM 43 C PTH 1 96.56 153.34 75.98 0.00 0.00
44
+ ATOM 44 C PTH 1 96.56 153.34 76.98 0.00 0.00
45
+ ATOM 45 C PTH 1 96.56 153.34 77.98 0.00 0.00
46
+ ATOM 46 C PTH 1 96.56 153.34 78.98 0.00 0.00
47
+ ATOM 47 C PTH 1 96.56 153.34 79.98 0.00 0.00
48
+ ATOM 48 C PTH 1 96.56 154.34 76.98 0.00 0.00
49
+ ATOM 49 C PTH 1 96.56 154.34 77.98 0.00 0.00
50
+ ATOM 50 C PTH 1 96.56 154.34 78.98 0.00 0.00
51
+ ATOM 51 C PTH 1 96.56 154.34 79.98 0.00 0.00
52
+ ATOM 52 C PTH 1 96.56 154.34 80.98 0.00 0.00
53
+ ATOM 53 C PTH 1 96.56 155.34 77.98 0.00 0.00
54
+ ATOM 54 C PTH 1 96.56 155.34 78.98 0.00 0.00
55
+ ATOM 55 C PTH 1 96.56 155.34 79.98 0.00 0.00
56
+ ATOM 56 C PTH 1 96.56 155.34 80.98 0.00 0.00
57
+ ATOM 57 C PTH 1 97.56 148.34 71.98 0.00 0.00
58
+ ATOM 58 C PTH 1 97.56 148.34 72.98 0.00 0.00
59
+ ATOM 59 C PTH 1 97.56 148.34 74.98 0.00 0.00
60
+ ATOM 60 C PTH 1 97.56 148.34 75.98 0.00 0.00
61
+ ATOM 61 C PTH 1 97.56 148.34 76.98 0.00 0.00
62
+ ATOM 62 C PTH 1 97.56 148.34 77.98 0.00 0.00
63
+ ATOM 63 C PTH 1 97.56 149.34 71.98 0.00 0.00
64
+ ATOM 64 C PTH 1 97.56 149.34 72.98 0.00 0.00
65
+ ATOM 65 C PTH 1 97.56 149.34 73.98 0.00 0.00
66
+ ATOM 66 C PTH 1 97.56 149.34 74.98 0.00 0.00
67
+ ATOM 67 C PTH 1 97.56 149.34 75.98 0.00 0.00
68
+ ATOM 68 C PTH 1 97.56 149.34 76.98 0.00 0.00
69
+ ATOM 69 C PTH 1 97.56 149.34 77.98 0.00 0.00
70
+ ATOM 70 C PTH 1 97.56 149.34 78.98 0.00 0.00
71
+ ATOM 71 C PTH 1 97.56 150.34 71.98 0.00 0.00
72
+ ATOM 72 C PTH 1 97.56 150.34 72.98 0.00 0.00
73
+ ATOM 73 C PTH 1 97.56 150.34 73.98 0.00 0.00
74
+ ATOM 74 C PTH 1 97.56 150.34 74.98 0.00 0.00
75
+ ATOM 75 C PTH 1 97.56 150.34 75.98 0.00 0.00
76
+ ATOM 76 C PTH 1 97.56 150.34 76.98 0.00 0.00
77
+ ATOM 77 C PTH 1 97.56 150.34 77.98 0.00 0.00
78
+ ATOM 78 C PTH 1 97.56 150.34 78.98 0.00 0.00
79
+ ATOM 79 C PTH 1 97.56 150.34 79.98 0.00 0.00
80
+ ATOM 80 C PTH 1 97.56 151.34 71.98 0.00 0.00
81
+ ATOM 81 C PTH 1 97.56 151.34 72.98 0.00 0.00
82
+ ATOM 82 C PTH 1 97.56 151.34 73.98 0.00 0.00
83
+ ATOM 83 C PTH 1 97.56 151.34 74.98 0.00 0.00
84
+ ATOM 84 C PTH 1 97.56 151.34 75.98 0.00 0.00
85
+ ATOM 85 C PTH 1 97.56 151.34 76.98 0.00 0.00
86
+ ATOM 86 C PTH 1 97.56 151.34 77.98 0.00 0.00
87
+ ATOM 87 C PTH 1 97.56 151.34 78.98 0.00 0.00
88
+ ATOM 88 C PTH 1 97.56 151.34 79.98 0.00 0.00
89
+ ATOM 89 C PTH 1 97.56 152.34 72.98 0.00 0.00
90
+ ATOM 90 C PTH 1 97.56 152.34 73.98 0.00 0.00
91
+ ATOM 91 C PTH 1 97.56 152.34 74.98 0.00 0.00
92
+ ATOM 92 C PTH 1 97.56 152.34 75.98 0.00 0.00
93
+ ATOM 93 C PTH 1 97.56 152.34 76.98 0.00 0.00
94
+ ATOM 94 C PTH 1 97.56 152.34 77.98 0.00 0.00
95
+ ATOM 95 C PTH 1 97.56 152.34 78.98 0.00 0.00
96
+ ATOM 96 C PTH 1 97.56 152.34 79.98 0.00 0.00
97
+ ATOM 97 C PTH 1 97.56 152.34 80.98 0.00 0.00
98
+ ATOM 98 C PTH 1 97.56 153.34 74.98 0.00 0.00
99
+ ATOM 99 C PTH 1 97.56 153.34 75.98 0.00 0.00
100
+ ATOM 100 C PTH 1 97.56 153.34 76.98 0.00 0.00
101
+ ATOM 101 C PTH 1 97.56 153.34 77.98 0.00 0.00
102
+ ATOM 102 C PTH 1 97.56 153.34 78.98 0.00 0.00
103
+ ATOM 103 C PTH 1 97.56 153.34 79.98 0.00 0.00
104
+ ATOM 104 C PTH 1 97.56 153.34 80.98 0.00 0.00
105
+ ATOM 105 C PTH 1 97.56 154.34 74.98 0.00 0.00
106
+ ATOM 106 C PTH 1 97.56 154.34 75.98 0.00 0.00
107
+ ATOM 107 C PTH 1 97.56 154.34 76.98 0.00 0.00
108
+ ATOM 108 C PTH 1 97.56 154.34 77.98 0.00 0.00
109
+ ATOM 109 C PTH 1 97.56 154.34 78.98 0.00 0.00
110
+ ATOM 110 C PTH 1 97.56 154.34 79.98 0.00 0.00
111
+ ATOM 111 C PTH 1 97.56 154.34 80.98 0.00 0.00
112
+ ATOM 112 C PTH 1 97.56 155.34 76.98 0.00 0.00
113
+ ATOM 113 C PTH 1 97.56 155.34 77.98 0.00 0.00
114
+ ATOM 114 C PTH 1 97.56 155.34 78.98 0.00 0.00
115
+ ATOM 115 C PTH 1 97.56 155.34 79.98 0.00 0.00
116
+ ATOM 116 C PTH 1 97.56 155.34 80.98 0.00 0.00
117
+ ATOM 117 C PTH 1 98.56 147.34 73.98 0.00 0.00
118
+ ATOM 118 C PTH 1 98.56 147.34 74.98 0.00 0.00
119
+ ATOM 119 C PTH 1 98.56 148.34 71.98 0.00 0.00
120
+ ATOM 120 C PTH 1 98.56 148.34 72.98 0.00 0.00
121
+ ATOM 121 C PTH 1 98.56 148.34 73.98 0.00 0.00
122
+ ATOM 122 C PTH 1 98.56 148.34 74.98 0.00 0.00
123
+ ATOM 123 C PTH 1 98.56 148.34 75.98 0.00 0.00
124
+ ATOM 124 C PTH 1 98.56 148.34 76.98 0.00 0.00
125
+ ATOM 125 C PTH 1 98.56 148.34 77.98 0.00 0.00
126
+ ATOM 126 C PTH 1 98.56 148.34 78.98 0.00 0.00
127
+ ATOM 127 C PTH 1 98.56 149.34 71.98 0.00 0.00
128
+ ATOM 128 C PTH 1 98.56 149.34 72.98 0.00 0.00
129
+ ATOM 129 C PTH 1 98.56 149.34 73.98 0.00 0.00
130
+ ATOM 130 C PTH 1 98.56 149.34 74.98 0.00 0.00
131
+ ATOM 131 C PTH 1 98.56 149.34 75.98 0.00 0.00
132
+ ATOM 132 C PTH 1 98.56 149.34 76.98 0.00 0.00
133
+ ATOM 133 C PTH 1 98.56 149.34 77.98 0.00 0.00
134
+ ATOM 134 C PTH 1 98.56 149.34 78.98 0.00 0.00
135
+ ATOM 135 C PTH 1 98.56 150.34 71.98 0.00 0.00
136
+ ATOM 136 C PTH 1 98.56 150.34 72.98 0.00 0.00
137
+ ATOM 137 C PTH 1 98.56 150.34 73.98 0.00 0.00
138
+ ATOM 138 C PTH 1 98.56 150.34 74.98 0.00 0.00
139
+ ATOM 139 C PTH 1 98.56 150.34 75.98 0.00 0.00
140
+ ATOM 140 C PTH 1 98.56 150.34 76.98 0.00 0.00
141
+ ATOM 141 C PTH 1 98.56 150.34 77.98 0.00 0.00
142
+ ATOM 142 C PTH 1 98.56 150.34 78.98 0.00 0.00
143
+ ATOM 143 C PTH 1 98.56 150.34 79.98 0.00 0.00
144
+ ATOM 144 C PTH 1 98.56 151.34 71.98 0.00 0.00
145
+ ATOM 145 C PTH 1 98.56 151.34 72.98 0.00 0.00
146
+ ATOM 146 C PTH 1 98.56 151.34 73.98 0.00 0.00
147
+ ATOM 147 C PTH 1 98.56 151.34 74.98 0.00 0.00
148
+ ATOM 148 C PTH 1 98.56 151.34 75.98 0.00 0.00
149
+ ATOM 149 C PTH 1 98.56 151.34 76.98 0.00 0.00
150
+ ATOM 150 C PTH 1 98.56 151.34 77.98 0.00 0.00
151
+ ATOM 151 C PTH 1 98.56 151.34 78.98 0.00 0.00
152
+ ATOM 152 C PTH 1 98.56 151.34 79.98 0.00 0.00
153
+ ATOM 153 C PTH 1 98.56 152.34 72.98 0.00 0.00
154
+ ATOM 154 C PTH 1 98.56 152.34 73.98 0.00 0.00
155
+ ATOM 155 C PTH 1 98.56 152.34 74.98 0.00 0.00
156
+ ATOM 156 C PTH 1 98.56 152.34 75.98 0.00 0.00
157
+ ATOM 157 C PTH 1 98.56 152.34 76.98 0.00 0.00
158
+ ATOM 158 C PTH 1 98.56 152.34 77.98 0.00 0.00
159
+ ATOM 159 C PTH 1 98.56 152.34 78.98 0.00 0.00
160
+ ATOM 160 C PTH 1 98.56 152.34 79.98 0.00 0.00
161
+ ATOM 161 C PTH 1 98.56 153.34 73.98 0.00 0.00
162
+ ATOM 162 C PTH 1 98.56 153.34 74.98 0.00 0.00
163
+ ATOM 163 C PTH 1 98.56 153.34 75.98 0.00 0.00
164
+ ATOM 164 C PTH 1 98.56 153.34 76.98 0.00 0.00
165
+ ATOM 165 C PTH 1 98.56 153.34 77.98 0.00 0.00
166
+ ATOM 166 C PTH 1 98.56 153.34 78.98 0.00 0.00
167
+ ATOM 167 C PTH 1 98.56 153.34 79.98 0.00 0.00
168
+ ATOM 168 C PTH 1 98.56 154.34 74.98 0.00 0.00
169
+ ATOM 169 C PTH 1 98.56 154.34 75.98 0.00 0.00
170
+ ATOM 170 C PTH 1 98.56 154.34 76.98 0.00 0.00
171
+ ATOM 171 C PTH 1 98.56 154.34 77.98 0.00 0.00
172
+ ATOM 172 C PTH 1 98.56 154.34 78.98 0.00 0.00
173
+ ATOM 173 C PTH 1 98.56 154.34 79.98 0.00 0.00
174
+ ATOM 174 C PTH 1 98.56 155.34 77.98 0.00 0.00
175
+ ATOM 175 C PTH 1 98.56 155.34 78.98 0.00 0.00
176
+ ATOM 176 C PTH 1 99.56 148.34 71.98 0.00 0.00
177
+ ATOM 177 C PTH 1 99.56 148.34 72.98 0.00 0.00
178
+ ATOM 178 C PTH 1 99.56 148.34 73.98 0.00 0.00
179
+ ATOM 179 C PTH 1 99.56 148.34 74.98 0.00 0.00
180
+ ATOM 180 C PTH 1 99.56 148.34 75.98 0.00 0.00
181
+ ATOM 181 C PTH 1 99.56 148.34 76.98 0.00 0.00
182
+ ATOM 182 C PTH 1 99.56 148.34 77.98 0.00 0.00
183
+ ATOM 183 C PTH 1 99.56 149.34 71.98 0.00 0.00
184
+ ATOM 184 C PTH 1 99.56 149.34 72.98 0.00 0.00
185
+ ATOM 185 C PTH 1 99.56 149.34 73.98 0.00 0.00
186
+ ATOM 186 C PTH 1 99.56 149.34 74.98 0.00 0.00
187
+ ATOM 187 C PTH 1 99.56 149.34 75.98 0.00 0.00
188
+ ATOM 188 C PTH 1 99.56 149.34 76.98 0.00 0.00
189
+ ATOM 189 C PTH 1 99.56 149.34 77.98 0.00 0.00
190
+ ATOM 190 C PTH 1 99.56 149.34 78.98 0.00 0.00
191
+ ATOM 191 C PTH 1 99.56 150.34 71.98 0.00 0.00
192
+ ATOM 192 C PTH 1 99.56 150.34 72.98 0.00 0.00
193
+ ATOM 193 C PTH 1 99.56 150.34 73.98 0.00 0.00
194
+ ATOM 194 C PTH 1 99.56 150.34 74.98 0.00 0.00
195
+ ATOM 195 C PTH 1 99.56 150.34 75.98 0.00 0.00
196
+ ATOM 196 C PTH 1 99.56 150.34 76.98 0.00 0.00
197
+ ATOM 197 C PTH 1 99.56 150.34 77.98 0.00 0.00
198
+ ATOM 198 C PTH 1 99.56 150.34 78.98 0.00 0.00
199
+ ATOM 199 C PTH 1 99.56 150.34 79.98 0.00 0.00
200
+ ATOM 200 C PTH 1 99.56 151.34 72.98 0.00 0.00
201
+ ATOM 201 C PTH 1 99.56 151.34 73.98 0.00 0.00
202
+ ATOM 202 C PTH 1 99.56 151.34 74.98 0.00 0.00
203
+ ATOM 203 C PTH 1 99.56 151.34 75.98 0.00 0.00
204
+ ATOM 204 C PTH 1 99.56 151.34 76.98 0.00 0.00
205
+ ATOM 205 C PTH 1 99.56 151.34 77.98 0.00 0.00
206
+ ATOM 206 C PTH 1 99.56 151.34 78.98 0.00 0.00
207
+ ATOM 207 C PTH 1 99.56 151.34 79.98 0.00 0.00
208
+ ATOM 208 C PTH 1 99.56 152.34 72.98 0.00 0.00
209
+ ATOM 209 C PTH 1 99.56 152.34 73.98 0.00 0.00
210
+ ATOM 210 C PTH 1 99.56 152.34 74.98 0.00 0.00
211
+ ATOM 211 C PTH 1 99.56 152.34 75.98 0.00 0.00
212
+ ATOM 212 C PTH 1 99.56 152.34 76.98 0.00 0.00
213
+ ATOM 213 C PTH 1 99.56 152.34 77.98 0.00 0.00
214
+ ATOM 214 C PTH 1 99.56 152.34 78.98 0.00 0.00
215
+ ATOM 215 C PTH 1 99.56 152.34 79.98 0.00 0.00
216
+ ATOM 216 C PTH 1 99.56 153.34 73.98 0.00 0.00
217
+ ATOM 217 C PTH 1 99.56 153.34 74.98 0.00 0.00
218
+ ATOM 218 C PTH 1 99.56 153.34 75.98 0.00 0.00
219
+ ATOM 219 C PTH 1 99.56 153.34 76.98 0.00 0.00
220
+ ATOM 220 C PTH 1 99.56 153.34 77.98 0.00 0.00
221
+ ATOM 221 C PTH 1 99.56 154.34 73.98 0.00 0.00
222
+ ATOM 222 C PTH 1 99.56 154.34 74.98 0.00 0.00
223
+ ATOM 223 C PTH 1 99.56 154.34 75.98 0.00 0.00
224
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225
+ ATOM 225 C PTH 1 100.56 148.34 75.98 0.00 0.00
226
+ ATOM 226 C PTH 1 100.56 149.34 71.98 0.00 0.00
227
+ ATOM 227 C PTH 1 100.56 149.34 74.98 0.00 0.00
228
+ ATOM 228 C PTH 1 100.56 149.34 75.98 0.00 0.00
229
+ ATOM 229 C PTH 1 100.56 149.34 76.98 0.00 0.00
230
+ ATOM 230 C PTH 1 100.56 149.34 77.98 0.00 0.00
231
+ ATOM 231 C PTH 1 100.56 150.34 73.98 0.00 0.00
232
+ ATOM 232 C PTH 1 100.56 150.34 74.98 0.00 0.00
233
+ ATOM 233 C PTH 1 100.56 150.34 75.98 0.00 0.00
234
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235
+ ATOM 235 C PTH 1 100.56 150.34 77.98 0.00 0.00
236
+ ATOM 236 C PTH 1 100.56 150.34 78.98 0.00 0.00
237
+ ATOM 237 C PTH 1 100.56 151.34 73.98 0.00 0.00
238
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239
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240
+ ATOM 240 C PTH 1 100.56 151.34 76.98 0.00 0.00
241
+ ATOM 241 C PTH 1 100.56 151.34 77.98 0.00 0.00
242
+ ATOM 242 C PTH 1 100.56 151.34 78.98 0.00 0.00
243
+ ATOM 243 C PTH 1 100.56 152.34 73.98 0.00 0.00
244
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245
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246
+ ATOM 246 C PTH 1 100.56 152.34 76.98 0.00 0.00
247
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248
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249
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250
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251
+ ATOM 251 C PTH 1 100.56 153.34 76.98 0.00 0.00
252
+ ATOM 252 C PTH 1 100.56 153.34 77.98 0.00 0.00
253
+ ATOM 253 C PTH 1 100.56 154.34 73.98 0.00 0.00
254
+ ATOM 254 C PTH 1 100.56 154.34 74.98 0.00 0.00
255
+ ATOM 255 C PTH 1 100.56 154.34 75.98 0.00 0.00
256
+ ATOM 256 C PTH 1 101.56 149.34 75.98 0.00 0.00
257
+ ATOM 257 C PTH 1 101.56 149.34 76.98 0.00 0.00
258
+ ATOM 258 C PTH 1 101.56 150.34 74.98 0.00 0.00
259
+ ATOM 259 C PTH 1 101.56 150.34 75.98 0.00 0.00
260
+ ATOM 260 C PTH 1 101.56 150.34 76.98 0.00 0.00
261
+ ATOM 261 C PTH 1 101.56 151.34 73.98 0.00 0.00
262
+ ATOM 262 C PTH 1 101.56 151.34 74.98 0.00 0.00
263
+ ATOM 263 C PTH 1 101.56 151.34 75.98 0.00 0.00
264
+ ATOM 264 C PTH 1 101.56 151.34 76.98 0.00 0.00
265
+ ATOM 265 C PTH 1 101.56 152.34 73.98 0.00 0.00
266
+ ATOM 266 C PTH 1 101.56 152.34 74.98 0.00 0.00
267
+ ATOM 267 C PTH 1 101.56 152.34 75.98 0.00 0.00
268
+ ATOM 268 C PTH 1 101.56 152.34 76.98 0.00 0.00
269
+ ATOM 269 C PTH 1 101.56 153.34 73.98 0.00 0.00
270
+ ATOM 270 C PTH 1 101.56 153.34 74.98 0.00 0.00
271
+ ATOM 271 C PTH 1 101.56 153.34 75.98 0.00 0.00
272
+ ATOM 272 C PTH 1 101.56 154.34 73.98 0.00 0.00
273
+ ATOM 273 C PTH 1 101.56 154.34 74.98 0.00 0.00
274
+ ATOM 274 C PTH 1 102.56 150.34 74.98 0.00 0.00
275
+ ATOM 275 C PTH 1 102.56 150.34 75.98 0.00 0.00
276
+ ATOM 276 C PTH 1 102.56 150.34 76.98 0.00 0.00
277
+ ATOM 277 C PTH 1 102.56 151.34 73.98 0.00 0.00
278
+ ATOM 278 C PTH 1 102.56 151.34 74.98 0.00 0.00
279
+ ATOM 279 C PTH 1 102.56 151.34 75.98 0.00 0.00
280
+ ATOM 280 C PTH 1 102.56 151.34 76.98 0.00 0.00
281
+ ATOM 281 C PTH 1 102.56 152.34 73.98 0.00 0.00
282
+ ATOM 282 C PTH 1 102.56 152.34 74.98 0.00 0.00
283
+ ATOM 283 C PTH 1 102.56 152.34 75.98 0.00 0.00
284
+ ATOM 284 C PTH 1 102.56 152.34 76.98 0.00 0.00
285
+ ATOM 285 C PTH 1 102.56 153.34 75.98 0.00 0.00
data/files/A0016/pocket_03.pdb ADDED
@@ -0,0 +1,282 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 106.56 166.34 65.98 0.00 0.00
2
+ ATOM 2 C PTH 1 106.56 167.34 63.98 0.00 0.00
3
+ ATOM 3 C PTH 1 106.56 167.34 64.98 0.00 0.00
4
+ ATOM 4 C PTH 1 106.56 167.34 65.98 0.00 0.00
5
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6
+ ATOM 6 C PTH 1 106.56 167.34 67.98 0.00 0.00
7
+ ATOM 7 C PTH 1 106.56 168.34 62.98 0.00 0.00
8
+ ATOM 8 C PTH 1 106.56 168.34 63.98 0.00 0.00
9
+ ATOM 9 C PTH 1 106.56 168.34 64.98 0.00 0.00
10
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11
+ ATOM 11 C PTH 1 106.56 168.34 66.98 0.00 0.00
12
+ ATOM 12 C PTH 1 106.56 168.34 67.98 0.00 0.00
13
+ ATOM 13 C PTH 1 106.56 168.34 68.98 0.00 0.00
14
+ ATOM 14 C PTH 1 106.56 169.34 62.98 0.00 0.00
15
+ ATOM 15 C PTH 1 106.56 169.34 63.98 0.00 0.00
16
+ ATOM 16 C PTH 1 106.56 169.34 64.98 0.00 0.00
17
+ ATOM 17 C PTH 1 106.56 169.34 65.98 0.00 0.00
18
+ ATOM 18 C PTH 1 106.56 169.34 66.98 0.00 0.00
19
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20
+ ATOM 20 C PTH 1 107.56 165.34 63.98 0.00 0.00
21
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22
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23
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24
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25
+ ATOM 25 C PTH 1 107.56 166.34 60.98 0.00 0.00
26
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27
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28
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29
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30
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31
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32
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33
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34
+ ATOM 34 C PTH 1 107.56 167.34 59.98 0.00 0.00
35
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36
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37
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38
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39
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40
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41
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42
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43
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44
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45
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46
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47
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48
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49
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50
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51
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52
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53
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54
+ ATOM 54 C PTH 1 107.56 169.34 63.98 0.00 0.00
55
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56
+ ATOM 56 C PTH 1 107.56 169.34 65.98 0.00 0.00
57
+ ATOM 57 C PTH 1 107.56 169.34 66.98 0.00 0.00
58
+ ATOM 58 C PTH 1 107.56 169.34 67.98 0.00 0.00
59
+ ATOM 59 C PTH 1 108.56 164.34 63.98 0.00 0.00
60
+ ATOM 60 C PTH 1 108.56 164.34 64.98 0.00 0.00
61
+ ATOM 61 C PTH 1 108.56 164.34 65.98 0.00 0.00
62
+ ATOM 62 C PTH 1 108.56 164.34 66.98 0.00 0.00
63
+ ATOM 63 C PTH 1 108.56 164.34 67.98 0.00 0.00
64
+ ATOM 64 C PTH 1 108.56 164.34 68.98 0.00 0.00
65
+ ATOM 65 C PTH 1 108.56 165.34 60.98 0.00 0.00
66
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67
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68
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69
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70
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71
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72
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73
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74
+ ATOM 74 C PTH 1 108.56 166.34 59.98 0.00 0.00
75
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76
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77
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78
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79
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80
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81
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82
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83
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84
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85
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86
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87
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88
+ ATOM 88 C PTH 1 108.56 167.34 63.98 0.00 0.00
89
+ ATOM 89 C PTH 1 108.56 167.34 64.98 0.00 0.00
90
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91
+ ATOM 91 C PTH 1 108.56 167.34 66.98 0.00 0.00
92
+ ATOM 92 C PTH 1 108.56 167.34 67.98 0.00 0.00
93
+ ATOM 93 C PTH 1 108.56 167.34 68.98 0.00 0.00
94
+ ATOM 94 C PTH 1 108.56 168.34 60.98 0.00 0.00
95
+ ATOM 95 C PTH 1 108.56 168.34 61.98 0.00 0.00
96
+ ATOM 96 C PTH 1 108.56 168.34 62.98 0.00 0.00
97
+ ATOM 97 C PTH 1 108.56 168.34 63.98 0.00 0.00
98
+ ATOM 98 C PTH 1 108.56 168.34 64.98 0.00 0.00
99
+ ATOM 99 C PTH 1 108.56 168.34 65.98 0.00 0.00
100
+ ATOM 100 C PTH 1 108.56 168.34 66.98 0.00 0.00
101
+ ATOM 101 C PTH 1 108.56 168.34 67.98 0.00 0.00
102
+ ATOM 102 C PTH 1 108.56 169.34 61.98 0.00 0.00
103
+ ATOM 103 C PTH 1 108.56 169.34 62.98 0.00 0.00
104
+ ATOM 104 C PTH 1 108.56 169.34 63.98 0.00 0.00
105
+ ATOM 105 C PTH 1 108.56 169.34 64.98 0.00 0.00
106
+ ATOM 106 C PTH 1 109.56 163.34 64.98 0.00 0.00
107
+ ATOM 107 C PTH 1 109.56 163.34 65.98 0.00 0.00
108
+ ATOM 108 C PTH 1 109.56 163.34 66.98 0.00 0.00
109
+ ATOM 109 C PTH 1 109.56 163.34 67.98 0.00 0.00
110
+ ATOM 110 C PTH 1 109.56 164.34 62.98 0.00 0.00
111
+ ATOM 111 C PTH 1 109.56 164.34 63.98 0.00 0.00
112
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113
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114
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115
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116
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117
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118
+ ATOM 118 C PTH 1 109.56 164.34 70.98 0.00 0.00
119
+ ATOM 119 C PTH 1 109.56 165.34 59.98 0.00 0.00
120
+ ATOM 120 C PTH 1 109.56 165.34 60.98 0.00 0.00
121
+ ATOM 121 C PTH 1 109.56 165.34 61.98 0.00 0.00
122
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123
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124
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125
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126
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127
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128
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129
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130
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131
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132
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133
+ ATOM 133 C PTH 1 109.56 166.34 61.98 0.00 0.00
134
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135
+ ATOM 135 C PTH 1 109.56 166.34 63.98 0.00 0.00
136
+ ATOM 136 C PTH 1 109.56 166.34 64.98 0.00 0.00
137
+ ATOM 137 C PTH 1 109.56 166.34 65.98 0.00 0.00
138
+ ATOM 138 C PTH 1 109.56 166.34 66.98 0.00 0.00
139
+ ATOM 139 C PTH 1 109.56 166.34 67.98 0.00 0.00
140
+ ATOM 140 C PTH 1 109.56 166.34 68.98 0.00 0.00
141
+ ATOM 141 C PTH 1 109.56 166.34 69.98 0.00 0.00
142
+ ATOM 142 C PTH 1 109.56 167.34 59.98 0.00 0.00
143
+ ATOM 143 C PTH 1 109.56 167.34 60.98 0.00 0.00
144
+ ATOM 144 C PTH 1 109.56 167.34 61.98 0.00 0.00
145
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146
+ ATOM 146 C PTH 1 109.56 167.34 63.98 0.00 0.00
147
+ ATOM 147 C PTH 1 109.56 167.34 64.98 0.00 0.00
148
+ ATOM 148 C PTH 1 109.56 167.34 65.98 0.00 0.00
149
+ ATOM 149 C PTH 1 109.56 167.34 66.98 0.00 0.00
150
+ ATOM 150 C PTH 1 109.56 167.34 67.98 0.00 0.00
151
+ ATOM 151 C PTH 1 109.56 167.34 68.98 0.00 0.00
152
+ ATOM 152 C PTH 1 109.56 168.34 59.98 0.00 0.00
153
+ ATOM 153 C PTH 1 109.56 168.34 60.98 0.00 0.00
154
+ ATOM 154 C PTH 1 109.56 168.34 61.98 0.00 0.00
155
+ ATOM 155 C PTH 1 109.56 168.34 62.98 0.00 0.00
156
+ ATOM 156 C PTH 1 109.56 168.34 63.98 0.00 0.00
157
+ ATOM 157 C PTH 1 109.56 168.34 64.98 0.00 0.00
158
+ ATOM 158 C PTH 1 109.56 168.34 65.98 0.00 0.00
159
+ ATOM 159 C PTH 1 109.56 168.34 66.98 0.00 0.00
160
+ ATOM 160 C PTH 1 110.56 163.34 64.98 0.00 0.00
161
+ ATOM 161 C PTH 1 110.56 163.34 65.98 0.00 0.00
162
+ ATOM 162 C PTH 1 110.56 163.34 66.98 0.00 0.00
163
+ ATOM 163 C PTH 1 110.56 163.34 67.98 0.00 0.00
164
+ ATOM 164 C PTH 1 110.56 163.34 68.98 0.00 0.00
165
+ ATOM 165 C PTH 1 110.56 163.34 69.98 0.00 0.00
166
+ ATOM 166 C PTH 1 110.56 164.34 62.98 0.00 0.00
167
+ ATOM 167 C PTH 1 110.56 164.34 63.98 0.00 0.00
168
+ ATOM 168 C PTH 1 110.56 164.34 64.98 0.00 0.00
169
+ ATOM 169 C PTH 1 110.56 164.34 65.98 0.00 0.00
170
+ ATOM 170 C PTH 1 110.56 164.34 66.98 0.00 0.00
171
+ ATOM 171 C PTH 1 110.56 164.34 67.98 0.00 0.00
172
+ ATOM 172 C PTH 1 110.56 164.34 68.98 0.00 0.00
173
+ ATOM 173 C PTH 1 110.56 164.34 69.98 0.00 0.00
174
+ ATOM 174 C PTH 1 110.56 164.34 70.98 0.00 0.00
175
+ ATOM 175 C PTH 1 110.56 165.34 60.98 0.00 0.00
176
+ ATOM 176 C PTH 1 110.56 165.34 61.98 0.00 0.00
177
+ ATOM 177 C PTH 1 110.56 165.34 62.98 0.00 0.00
178
+ ATOM 178 C PTH 1 110.56 165.34 63.98 0.00 0.00
179
+ ATOM 179 C PTH 1 110.56 165.34 64.98 0.00 0.00
180
+ ATOM 180 C PTH 1 110.56 165.34 65.98 0.00 0.00
181
+ ATOM 181 C PTH 1 110.56 165.34 66.98 0.00 0.00
182
+ ATOM 182 C PTH 1 110.56 165.34 67.98 0.00 0.00
183
+ ATOM 183 C PTH 1 110.56 165.34 68.98 0.00 0.00
184
+ ATOM 184 C PTH 1 110.56 165.34 69.98 0.00 0.00
185
+ ATOM 185 C PTH 1 110.56 165.34 70.98 0.00 0.00
186
+ ATOM 186 C PTH 1 110.56 166.34 59.98 0.00 0.00
187
+ ATOM 187 C PTH 1 110.56 166.34 60.98 0.00 0.00
188
+ ATOM 188 C PTH 1 110.56 166.34 61.98 0.00 0.00
189
+ ATOM 189 C PTH 1 110.56 166.34 62.98 0.00 0.00
190
+ ATOM 190 C PTH 1 110.56 166.34 63.98 0.00 0.00
191
+ ATOM 191 C PTH 1 110.56 166.34 64.98 0.00 0.00
192
+ ATOM 192 C PTH 1 110.56 166.34 65.98 0.00 0.00
193
+ ATOM 193 C PTH 1 110.56 166.34 66.98 0.00 0.00
194
+ ATOM 194 C PTH 1 110.56 166.34 67.98 0.00 0.00
195
+ ATOM 195 C PTH 1 110.56 166.34 68.98 0.00 0.00
196
+ ATOM 196 C PTH 1 110.56 166.34 69.98 0.00 0.00
197
+ ATOM 197 C PTH 1 110.56 167.34 59.98 0.00 0.00
198
+ ATOM 198 C PTH 1 110.56 167.34 60.98 0.00 0.00
199
+ ATOM 199 C PTH 1 110.56 167.34 61.98 0.00 0.00
200
+ ATOM 200 C PTH 1 110.56 167.34 62.98 0.00 0.00
201
+ ATOM 201 C PTH 1 110.56 167.34 63.98 0.00 0.00
202
+ ATOM 202 C PTH 1 110.56 167.34 64.98 0.00 0.00
203
+ ATOM 203 C PTH 1 110.56 167.34 65.98 0.00 0.00
204
+ ATOM 204 C PTH 1 110.56 167.34 66.98 0.00 0.00
205
+ ATOM 205 C PTH 1 110.56 167.34 67.98 0.00 0.00
206
+ ATOM 206 C PTH 1 110.56 167.34 68.98 0.00 0.00
207
+ ATOM 207 C PTH 1 111.56 163.34 64.98 0.00 0.00
208
+ ATOM 208 C PTH 1 111.56 163.34 65.98 0.00 0.00
209
+ ATOM 209 C PTH 1 111.56 163.34 66.98 0.00 0.00
210
+ ATOM 210 C PTH 1 111.56 163.34 67.98 0.00 0.00
211
+ ATOM 211 C PTH 1 111.56 163.34 68.98 0.00 0.00
212
+ ATOM 212 C PTH 1 111.56 163.34 69.98 0.00 0.00
213
+ ATOM 213 C PTH 1 111.56 163.34 70.98 0.00 0.00
214
+ ATOM 214 C PTH 1 111.56 164.34 63.98 0.00 0.00
215
+ ATOM 215 C PTH 1 111.56 164.34 64.98 0.00 0.00
216
+ ATOM 216 C PTH 1 111.56 164.34 65.98 0.00 0.00
217
+ ATOM 217 C PTH 1 111.56 164.34 66.98 0.00 0.00
218
+ ATOM 218 C PTH 1 111.56 164.34 67.98 0.00 0.00
219
+ ATOM 219 C PTH 1 111.56 164.34 68.98 0.00 0.00
220
+ ATOM 220 C PTH 1 111.56 164.34 69.98 0.00 0.00
221
+ ATOM 221 C PTH 1 111.56 164.34 70.98 0.00 0.00
222
+ ATOM 222 C PTH 1 111.56 165.34 62.98 0.00 0.00
223
+ ATOM 223 C PTH 1 111.56 165.34 63.98 0.00 0.00
224
+ ATOM 224 C PTH 1 111.56 165.34 64.98 0.00 0.00
225
+ ATOM 225 C PTH 1 111.56 165.34 65.98 0.00 0.00
226
+ ATOM 226 C PTH 1 111.56 165.34 66.98 0.00 0.00
227
+ ATOM 227 C PTH 1 111.56 165.34 67.98 0.00 0.00
228
+ ATOM 228 C PTH 1 111.56 165.34 68.98 0.00 0.00
229
+ ATOM 229 C PTH 1 111.56 165.34 69.98 0.00 0.00
230
+ ATOM 230 C PTH 1 111.56 165.34 70.98 0.00 0.00
231
+ ATOM 231 C PTH 1 111.56 166.34 60.98 0.00 0.00
232
+ ATOM 232 C PTH 1 111.56 166.34 61.98 0.00 0.00
233
+ ATOM 233 C PTH 1 111.56 166.34 62.98 0.00 0.00
234
+ ATOM 234 C PTH 1 111.56 166.34 63.98 0.00 0.00
235
+ ATOM 235 C PTH 1 111.56 166.34 64.98 0.00 0.00
236
+ ATOM 236 C PTH 1 111.56 166.34 65.98 0.00 0.00
237
+ ATOM 237 C PTH 1 111.56 166.34 66.98 0.00 0.00
238
+ ATOM 238 C PTH 1 111.56 166.34 67.98 0.00 0.00
239
+ ATOM 239 C PTH 1 111.56 166.34 68.98 0.00 0.00
240
+ ATOM 240 C PTH 1 111.56 166.34 69.98 0.00 0.00
241
+ ATOM 241 C PTH 1 111.56 167.34 62.98 0.00 0.00
242
+ ATOM 242 C PTH 1 111.56 167.34 63.98 0.00 0.00
243
+ ATOM 243 C PTH 1 111.56 167.34 64.98 0.00 0.00
244
+ ATOM 244 C PTH 1 111.56 167.34 65.98 0.00 0.00
245
+ ATOM 245 C PTH 1 112.56 163.34 67.98 0.00 0.00
246
+ ATOM 246 C PTH 1 112.56 163.34 68.98 0.00 0.00
247
+ ATOM 247 C PTH 1 112.56 163.34 69.98 0.00 0.00
248
+ ATOM 248 C PTH 1 112.56 163.34 70.98 0.00 0.00
249
+ ATOM 249 C PTH 1 112.56 164.34 65.98 0.00 0.00
250
+ ATOM 250 C PTH 1 112.56 164.34 66.98 0.00 0.00
251
+ ATOM 251 C PTH 1 112.56 164.34 67.98 0.00 0.00
252
+ ATOM 252 C PTH 1 112.56 164.34 68.98 0.00 0.00
253
+ ATOM 253 C PTH 1 112.56 164.34 69.98 0.00 0.00
254
+ ATOM 254 C PTH 1 112.56 164.34 70.98 0.00 0.00
255
+ ATOM 255 C PTH 1 112.56 165.34 64.98 0.00 0.00
256
+ ATOM 256 C PTH 1 112.56 165.34 65.98 0.00 0.00
257
+ ATOM 257 C PTH 1 112.56 165.34 66.98 0.00 0.00
258
+ ATOM 258 C PTH 1 112.56 165.34 67.98 0.00 0.00
259
+ ATOM 259 C PTH 1 112.56 165.34 68.98 0.00 0.00
260
+ ATOM 260 C PTH 1 112.56 165.34 69.98 0.00 0.00
261
+ ATOM 261 C PTH 1 112.56 165.34 70.98 0.00 0.00
262
+ ATOM 262 C PTH 1 112.56 166.34 64.98 0.00 0.00
263
+ ATOM 263 C PTH 1 112.56 166.34 65.98 0.00 0.00
264
+ ATOM 264 C PTH 1 112.56 166.34 66.98 0.00 0.00
265
+ ATOM 265 C PTH 1 112.56 166.34 67.98 0.00 0.00
266
+ ATOM 266 C PTH 1 112.56 166.34 68.98 0.00 0.00
267
+ ATOM 267 C PTH 1 112.56 166.34 69.98 0.00 0.00
268
+ ATOM 268 C PTH 1 112.56 166.34 70.98 0.00 0.00
269
+ ATOM 269 C PTH 1 113.56 163.34 67.98 0.00 0.00
270
+ ATOM 270 C PTH 1 113.56 163.34 68.98 0.00 0.00
271
+ ATOM 271 C PTH 1 113.56 163.34 69.98 0.00 0.00
272
+ ATOM 272 C PTH 1 113.56 163.34 70.98 0.00 0.00
273
+ ATOM 273 C PTH 1 113.56 163.34 71.98 0.00 0.00
274
+ ATOM 274 C PTH 1 113.56 164.34 67.98 0.00 0.00
275
+ ATOM 275 C PTH 1 113.56 164.34 68.98 0.00 0.00
276
+ ATOM 276 C PTH 1 113.56 164.34 69.98 0.00 0.00
277
+ ATOM 277 C PTH 1 113.56 164.34 70.98 0.00 0.00
278
+ ATOM 278 C PTH 1 113.56 165.34 67.98 0.00 0.00
279
+ ATOM 279 C PTH 1 113.56 165.34 68.98 0.00 0.00
280
+ ATOM 280 C PTH 1 113.56 165.34 69.98 0.00 0.00
281
+ ATOM 281 C PTH 1 113.56 165.34 70.98 0.00 0.00
282
+ ATOM 282 C PTH 1 113.56 166.34 68.98 0.00 0.00
data/files/A0016/pocket_04.pdb ADDED
@@ -0,0 +1,262 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 42.56 119.34 47.98 0.00 0.00
2
+ ATOM 2 C PTH 1 42.56 119.34 55.98 0.00 0.00
3
+ ATOM 3 C PTH 1 42.56 120.34 47.98 0.00 0.00
4
+ ATOM 4 C PTH 1 42.56 120.34 48.98 0.00 0.00
5
+ ATOM 5 C PTH 1 42.56 120.34 49.98 0.00 0.00
6
+ ATOM 6 C PTH 1 42.56 120.34 50.98 0.00 0.00
7
+ ATOM 7 C PTH 1 42.56 120.34 51.98 0.00 0.00
8
+ ATOM 8 C PTH 1 42.56 120.34 52.98 0.00 0.00
9
+ ATOM 9 C PTH 1 42.56 120.34 53.98 0.00 0.00
10
+ ATOM 10 C PTH 1 42.56 120.34 54.98 0.00 0.00
11
+ ATOM 11 C PTH 1 42.56 120.34 55.98 0.00 0.00
12
+ ATOM 12 C PTH 1 42.56 121.34 47.98 0.00 0.00
13
+ ATOM 13 C PTH 1 42.56 121.34 48.98 0.00 0.00
14
+ ATOM 14 C PTH 1 42.56 121.34 49.98 0.00 0.00
15
+ ATOM 15 C PTH 1 42.56 121.34 50.98 0.00 0.00
16
+ ATOM 16 C PTH 1 42.56 121.34 51.98 0.00 0.00
17
+ ATOM 17 C PTH 1 42.56 121.34 52.98 0.00 0.00
18
+ ATOM 18 C PTH 1 42.56 121.34 53.98 0.00 0.00
19
+ ATOM 19 C PTH 1 42.56 121.34 54.98 0.00 0.00
20
+ ATOM 20 C PTH 1 42.56 121.34 55.98 0.00 0.00
21
+ ATOM 21 C PTH 1 42.56 122.34 47.98 0.00 0.00
22
+ ATOM 22 C PTH 1 42.56 122.34 48.98 0.00 0.00
23
+ ATOM 23 C PTH 1 42.56 122.34 52.98 0.00 0.00
24
+ ATOM 24 C PTH 1 42.56 122.34 53.98 0.00 0.00
25
+ ATOM 25 C PTH 1 42.56 122.34 54.98 0.00 0.00
26
+ ATOM 26 C PTH 1 42.56 123.34 53.98 0.00 0.00
27
+ ATOM 27 C PTH 1 43.56 118.34 47.98 0.00 0.00
28
+ ATOM 28 C PTH 1 43.56 118.34 50.98 0.00 0.00
29
+ ATOM 29 C PTH 1 43.56 118.34 51.98 0.00 0.00
30
+ ATOM 30 C PTH 1 43.56 118.34 52.98 0.00 0.00
31
+ ATOM 31 C PTH 1 43.56 118.34 53.98 0.00 0.00
32
+ ATOM 32 C PTH 1 43.56 119.34 47.98 0.00 0.00
33
+ ATOM 33 C PTH 1 43.56 119.34 48.98 0.00 0.00
34
+ ATOM 34 C PTH 1 43.56 119.34 49.98 0.00 0.00
35
+ ATOM 35 C PTH 1 43.56 119.34 50.98 0.00 0.00
36
+ ATOM 36 C PTH 1 43.56 119.34 51.98 0.00 0.00
37
+ ATOM 37 C PTH 1 43.56 119.34 52.98 0.00 0.00
38
+ ATOM 38 C PTH 1 43.56 119.34 53.98 0.00 0.00
39
+ ATOM 39 C PTH 1 43.56 119.34 54.98 0.00 0.00
40
+ ATOM 40 C PTH 1 43.56 119.34 55.98 0.00 0.00
41
+ ATOM 41 C PTH 1 43.56 120.34 47.98 0.00 0.00
42
+ ATOM 42 C PTH 1 43.56 120.34 48.98 0.00 0.00
43
+ ATOM 43 C PTH 1 43.56 120.34 49.98 0.00 0.00
44
+ ATOM 44 C PTH 1 43.56 120.34 50.98 0.00 0.00
45
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46
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47
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48
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49
+ ATOM 49 C PTH 1 43.56 120.34 55.98 0.00 0.00
50
+ ATOM 50 C PTH 1 43.56 121.34 47.98 0.00 0.00
51
+ ATOM 51 C PTH 1 43.56 121.34 48.98 0.00 0.00
52
+ ATOM 52 C PTH 1 43.56 121.34 49.98 0.00 0.00
53
+ ATOM 53 C PTH 1 43.56 121.34 50.98 0.00 0.00
54
+ ATOM 54 C PTH 1 43.56 121.34 51.98 0.00 0.00
55
+ ATOM 55 C PTH 1 43.56 121.34 52.98 0.00 0.00
56
+ ATOM 56 C PTH 1 43.56 121.34 53.98 0.00 0.00
57
+ ATOM 57 C PTH 1 43.56 121.34 54.98 0.00 0.00
58
+ ATOM 58 C PTH 1 43.56 121.34 55.98 0.00 0.00
59
+ ATOM 59 C PTH 1 43.56 122.34 47.98 0.00 0.00
60
+ ATOM 60 C PTH 1 43.56 122.34 48.98 0.00 0.00
61
+ ATOM 61 C PTH 1 43.56 122.34 49.98 0.00 0.00
62
+ ATOM 62 C PTH 1 43.56 122.34 50.98 0.00 0.00
63
+ ATOM 63 C PTH 1 43.56 122.34 51.98 0.00 0.00
64
+ ATOM 64 C PTH 1 43.56 122.34 52.98 0.00 0.00
65
+ ATOM 65 C PTH 1 43.56 122.34 53.98 0.00 0.00
66
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67
+ ATOM 67 C PTH 1 43.56 123.34 50.98 0.00 0.00
68
+ ATOM 68 C PTH 1 43.56 123.34 52.98 0.00 0.00
69
+ ATOM 69 C PTH 1 43.56 123.34 53.98 0.00 0.00
70
+ ATOM 70 C PTH 1 44.56 114.34 53.98 0.00 0.00
71
+ ATOM 71 C PTH 1 44.56 114.34 54.98 0.00 0.00
72
+ ATOM 72 C PTH 1 44.56 115.34 52.98 0.00 0.00
73
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74
+ ATOM 74 C PTH 1 44.56 115.34 54.98 0.00 0.00
75
+ ATOM 75 C PTH 1 44.56 116.34 49.98 0.00 0.00
76
+ ATOM 76 C PTH 1 44.56 116.34 50.98 0.00 0.00
77
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78
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79
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80
+ ATOM 80 C PTH 1 44.56 116.34 54.98 0.00 0.00
81
+ ATOM 81 C PTH 1 44.56 117.34 48.98 0.00 0.00
82
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83
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84
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85
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86
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87
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88
+ ATOM 88 C PTH 1 44.56 118.34 47.98 0.00 0.00
89
+ ATOM 89 C PTH 1 44.56 118.34 48.98 0.00 0.00
90
+ ATOM 90 C PTH 1 44.56 118.34 49.98 0.00 0.00
91
+ ATOM 91 C PTH 1 44.56 118.34 50.98 0.00 0.00
92
+ ATOM 92 C PTH 1 44.56 118.34 51.98 0.00 0.00
93
+ ATOM 93 C PTH 1 44.56 118.34 52.98 0.00 0.00
94
+ ATOM 94 C PTH 1 44.56 118.34 53.98 0.00 0.00
95
+ ATOM 95 C PTH 1 44.56 118.34 54.98 0.00 0.00
96
+ ATOM 96 C PTH 1 44.56 119.34 47.98 0.00 0.00
97
+ ATOM 97 C PTH 1 44.56 119.34 48.98 0.00 0.00
98
+ ATOM 98 C PTH 1 44.56 119.34 49.98 0.00 0.00
99
+ ATOM 99 C PTH 1 44.56 119.34 50.98 0.00 0.00
100
+ ATOM 100 C PTH 1 44.56 119.34 51.98 0.00 0.00
101
+ ATOM 101 C PTH 1 44.56 119.34 52.98 0.00 0.00
102
+ ATOM 102 C PTH 1 44.56 119.34 53.98 0.00 0.00
103
+ ATOM 103 C PTH 1 44.56 119.34 54.98 0.00 0.00
104
+ ATOM 104 C PTH 1 44.56 119.34 55.98 0.00 0.00
105
+ ATOM 105 C PTH 1 44.56 120.34 47.98 0.00 0.00
106
+ ATOM 106 C PTH 1 44.56 120.34 48.98 0.00 0.00
107
+ ATOM 107 C PTH 1 44.56 120.34 49.98 0.00 0.00
108
+ ATOM 108 C PTH 1 44.56 120.34 50.98 0.00 0.00
109
+ ATOM 109 C PTH 1 44.56 120.34 51.98 0.00 0.00
110
+ ATOM 110 C PTH 1 44.56 120.34 52.98 0.00 0.00
111
+ ATOM 111 C PTH 1 44.56 120.34 53.98 0.00 0.00
112
+ ATOM 112 C PTH 1 44.56 120.34 54.98 0.00 0.00
113
+ ATOM 113 C PTH 1 44.56 120.34 55.98 0.00 0.00
114
+ ATOM 114 C PTH 1 44.56 121.34 47.98 0.00 0.00
115
+ ATOM 115 C PTH 1 44.56 121.34 48.98 0.00 0.00
116
+ ATOM 116 C PTH 1 44.56 121.34 49.98 0.00 0.00
117
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118
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119
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120
+ ATOM 120 C PTH 1 44.56 121.34 53.98 0.00 0.00
121
+ ATOM 121 C PTH 1 44.56 121.34 54.98 0.00 0.00
122
+ ATOM 122 C PTH 1 44.56 121.34 55.98 0.00 0.00
123
+ ATOM 123 C PTH 1 44.56 122.34 48.98 0.00 0.00
124
+ ATOM 124 C PTH 1 44.56 122.34 49.98 0.00 0.00
125
+ ATOM 125 C PTH 1 44.56 122.34 50.98 0.00 0.00
126
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127
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128
+ ATOM 128 C PTH 1 44.56 122.34 53.98 0.00 0.00
129
+ ATOM 129 C PTH 1 44.56 122.34 54.98 0.00 0.00
130
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131
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132
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133
+ ATOM 133 C PTH 1 44.56 123.34 53.98 0.00 0.00
134
+ ATOM 134 C PTH 1 45.56 114.34 52.98 0.00 0.00
135
+ ATOM 135 C PTH 1 45.56 114.34 53.98 0.00 0.00
136
+ ATOM 136 C PTH 1 45.56 114.34 54.98 0.00 0.00
137
+ ATOM 137 C PTH 1 45.56 114.34 55.98 0.00 0.00
138
+ ATOM 138 C PTH 1 45.56 115.34 49.98 0.00 0.00
139
+ ATOM 139 C PTH 1 45.56 115.34 50.98 0.00 0.00
140
+ ATOM 140 C PTH 1 45.56 115.34 51.98 0.00 0.00
141
+ ATOM 141 C PTH 1 45.56 115.34 52.98 0.00 0.00
142
+ ATOM 142 C PTH 1 45.56 115.34 53.98 0.00 0.00
143
+ ATOM 143 C PTH 1 45.56 115.34 54.98 0.00 0.00
144
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145
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146
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147
+ ATOM 147 C PTH 1 45.56 116.34 50.98 0.00 0.00
148
+ ATOM 148 C PTH 1 45.56 116.34 51.98 0.00 0.00
149
+ ATOM 149 C PTH 1 45.56 116.34 52.98 0.00 0.00
150
+ ATOM 150 C PTH 1 45.56 116.34 53.98 0.00 0.00
151
+ ATOM 151 C PTH 1 45.56 116.34 54.98 0.00 0.00
152
+ ATOM 152 C PTH 1 45.56 116.34 55.98 0.00 0.00
153
+ ATOM 153 C PTH 1 45.56 117.34 48.98 0.00 0.00
154
+ ATOM 154 C PTH 1 45.56 117.34 49.98 0.00 0.00
155
+ ATOM 155 C PTH 1 45.56 117.34 50.98 0.00 0.00
156
+ ATOM 156 C PTH 1 45.56 117.34 51.98 0.00 0.00
157
+ ATOM 157 C PTH 1 45.56 117.34 52.98 0.00 0.00
158
+ ATOM 158 C PTH 1 45.56 117.34 53.98 0.00 0.00
159
+ ATOM 159 C PTH 1 45.56 117.34 54.98 0.00 0.00
160
+ ATOM 160 C PTH 1 45.56 118.34 47.98 0.00 0.00
161
+ ATOM 161 C PTH 1 45.56 118.34 48.98 0.00 0.00
162
+ ATOM 162 C PTH 1 45.56 118.34 49.98 0.00 0.00
163
+ ATOM 163 C PTH 1 45.56 118.34 50.98 0.00 0.00
164
+ ATOM 164 C PTH 1 45.56 118.34 51.98 0.00 0.00
165
+ ATOM 165 C PTH 1 45.56 118.34 52.98 0.00 0.00
166
+ ATOM 166 C PTH 1 45.56 118.34 53.98 0.00 0.00
167
+ ATOM 167 C PTH 1 45.56 118.34 54.98 0.00 0.00
168
+ ATOM 168 C PTH 1 45.56 118.34 55.98 0.00 0.00
169
+ ATOM 169 C PTH 1 45.56 119.34 47.98 0.00 0.00
170
+ ATOM 170 C PTH 1 45.56 119.34 48.98 0.00 0.00
171
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172
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173
+ ATOM 173 C PTH 1 45.56 119.34 51.98 0.00 0.00
174
+ ATOM 174 C PTH 1 45.56 119.34 52.98 0.00 0.00
175
+ ATOM 175 C PTH 1 45.56 119.34 53.98 0.00 0.00
176
+ ATOM 176 C PTH 1 45.56 119.34 54.98 0.00 0.00
177
+ ATOM 177 C PTH 1 45.56 119.34 55.98 0.00 0.00
178
+ ATOM 178 C PTH 1 45.56 120.34 47.98 0.00 0.00
179
+ ATOM 179 C PTH 1 45.56 120.34 48.98 0.00 0.00
180
+ ATOM 180 C PTH 1 45.56 120.34 49.98 0.00 0.00
181
+ ATOM 181 C PTH 1 45.56 120.34 50.98 0.00 0.00
182
+ ATOM 182 C PTH 1 45.56 120.34 51.98 0.00 0.00
183
+ ATOM 183 C PTH 1 45.56 120.34 52.98 0.00 0.00
184
+ ATOM 184 C PTH 1 45.56 120.34 53.98 0.00 0.00
185
+ ATOM 185 C PTH 1 45.56 120.34 54.98 0.00 0.00
186
+ ATOM 186 C PTH 1 45.56 120.34 55.98 0.00 0.00
187
+ ATOM 187 C PTH 1 45.56 121.34 48.98 0.00 0.00
188
+ ATOM 188 C PTH 1 45.56 121.34 49.98 0.00 0.00
189
+ ATOM 189 C PTH 1 45.56 121.34 50.98 0.00 0.00
190
+ ATOM 190 C PTH 1 45.56 121.34 51.98 0.00 0.00
191
+ ATOM 191 C PTH 1 45.56 121.34 52.98 0.00 0.00
192
+ ATOM 192 C PTH 1 45.56 121.34 53.98 0.00 0.00
193
+ ATOM 193 C PTH 1 45.56 121.34 54.98 0.00 0.00
194
+ ATOM 194 C PTH 1 45.56 122.34 49.98 0.00 0.00
195
+ ATOM 195 C PTH 1 45.56 122.34 50.98 0.00 0.00
196
+ ATOM 196 C PTH 1 45.56 122.34 51.98 0.00 0.00
197
+ ATOM 197 C PTH 1 45.56 122.34 52.98 0.00 0.00
198
+ ATOM 198 C PTH 1 45.56 122.34 53.98 0.00 0.00
199
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200
+ ATOM 200 C PTH 1 45.56 123.34 52.98 0.00 0.00
201
+ ATOM 201 C PTH 1 45.56 123.34 53.98 0.00 0.00
202
+ ATOM 202 C PTH 1 46.56 114.34 54.98 0.00 0.00
203
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204
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data/files/A0016/pocket_05.pdb ADDED
@@ -0,0 +1,184 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 101.56 152.34 59.98 0.00 0.00
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data/files/A0016/pocket_06.pdb ADDED
@@ -0,0 +1,178 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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+ ATOM 33 C PTH 1 66.56 114.34 48.98 0.00 0.00
34
+ ATOM 34 C PTH 1 67.56 108.34 46.98 0.00 0.00
35
+ ATOM 35 C PTH 1 67.56 108.34 47.98 0.00 0.00
36
+ ATOM 36 C PTH 1 67.56 109.34 45.98 0.00 0.00
37
+ ATOM 37 C PTH 1 67.56 109.34 46.98 0.00 0.00
38
+ ATOM 38 C PTH 1 67.56 109.34 47.98 0.00 0.00
39
+ ATOM 39 C PTH 1 67.56 109.34 48.98 0.00 0.00
40
+ ATOM 40 C PTH 1 67.56 109.34 49.98 0.00 0.00
41
+ ATOM 41 C PTH 1 67.56 110.34 45.98 0.00 0.00
42
+ ATOM 42 C PTH 1 67.56 110.34 46.98 0.00 0.00
43
+ ATOM 43 C PTH 1 67.56 110.34 47.98 0.00 0.00
44
+ ATOM 44 C PTH 1 67.56 110.34 48.98 0.00 0.00
45
+ ATOM 45 C PTH 1 67.56 110.34 49.98 0.00 0.00
46
+ ATOM 46 C PTH 1 67.56 110.34 50.98 0.00 0.00
47
+ ATOM 47 C PTH 1 67.56 111.34 45.98 0.00 0.00
48
+ ATOM 48 C PTH 1 67.56 111.34 46.98 0.00 0.00
49
+ ATOM 49 C PTH 1 67.56 111.34 47.98 0.00 0.00
50
+ ATOM 50 C PTH 1 67.56 111.34 48.98 0.00 0.00
51
+ ATOM 51 C PTH 1 67.56 111.34 49.98 0.00 0.00
52
+ ATOM 52 C PTH 1 67.56 111.34 50.98 0.00 0.00
53
+ ATOM 53 C PTH 1 67.56 112.34 45.98 0.00 0.00
54
+ ATOM 54 C PTH 1 67.56 112.34 46.98 0.00 0.00
55
+ ATOM 55 C PTH 1 67.56 112.34 47.98 0.00 0.00
56
+ ATOM 56 C PTH 1 67.56 112.34 48.98 0.00 0.00
57
+ ATOM 57 C PTH 1 67.56 112.34 49.98 0.00 0.00
58
+ ATOM 58 C PTH 1 67.56 112.34 50.98 0.00 0.00
59
+ ATOM 59 C PTH 1 67.56 113.34 45.98 0.00 0.00
60
+ ATOM 60 C PTH 1 67.56 113.34 46.98 0.00 0.00
61
+ ATOM 61 C PTH 1 67.56 113.34 47.98 0.00 0.00
62
+ ATOM 62 C PTH 1 67.56 113.34 48.98 0.00 0.00
63
+ ATOM 63 C PTH 1 67.56 113.34 49.98 0.00 0.00
64
+ ATOM 64 C PTH 1 67.56 113.34 50.98 0.00 0.00
65
+ ATOM 65 C PTH 1 67.56 114.34 46.98 0.00 0.00
66
+ ATOM 66 C PTH 1 67.56 114.34 47.98 0.00 0.00
67
+ ATOM 67 C PTH 1 67.56 114.34 48.98 0.00 0.00
68
+ ATOM 68 C PTH 1 67.56 114.34 49.98 0.00 0.00
69
+ ATOM 69 C PTH 1 67.56 114.34 50.98 0.00 0.00
70
+ ATOM 70 C PTH 1 68.56 107.34 47.98 0.00 0.00
71
+ ATOM 71 C PTH 1 68.56 107.34 48.98 0.00 0.00
72
+ ATOM 72 C PTH 1 68.56 108.34 46.98 0.00 0.00
73
+ ATOM 73 C PTH 1 68.56 108.34 47.98 0.00 0.00
74
+ ATOM 74 C PTH 1 68.56 108.34 48.98 0.00 0.00
75
+ ATOM 75 C PTH 1 68.56 108.34 49.98 0.00 0.00
76
+ ATOM 76 C PTH 1 68.56 109.34 45.98 0.00 0.00
77
+ ATOM 77 C PTH 1 68.56 109.34 46.98 0.00 0.00
78
+ ATOM 78 C PTH 1 68.56 109.34 47.98 0.00 0.00
79
+ ATOM 79 C PTH 1 68.56 109.34 48.98 0.00 0.00
80
+ ATOM 80 C PTH 1 68.56 109.34 49.98 0.00 0.00
81
+ ATOM 81 C PTH 1 68.56 109.34 50.98 0.00 0.00
82
+ ATOM 82 C PTH 1 68.56 110.34 45.98 0.00 0.00
83
+ ATOM 83 C PTH 1 68.56 110.34 46.98 0.00 0.00
84
+ ATOM 84 C PTH 1 68.56 110.34 47.98 0.00 0.00
85
+ ATOM 85 C PTH 1 68.56 110.34 48.98 0.00 0.00
86
+ ATOM 86 C PTH 1 68.56 110.34 49.98 0.00 0.00
87
+ ATOM 87 C PTH 1 68.56 110.34 50.98 0.00 0.00
88
+ ATOM 88 C PTH 1 68.56 111.34 45.98 0.00 0.00
89
+ ATOM 89 C PTH 1 68.56 111.34 46.98 0.00 0.00
90
+ ATOM 90 C PTH 1 68.56 111.34 47.98 0.00 0.00
91
+ ATOM 91 C PTH 1 68.56 111.34 48.98 0.00 0.00
92
+ ATOM 92 C PTH 1 68.56 111.34 49.98 0.00 0.00
93
+ ATOM 93 C PTH 1 68.56 111.34 50.98 0.00 0.00
94
+ ATOM 94 C PTH 1 68.56 112.34 45.98 0.00 0.00
95
+ ATOM 95 C PTH 1 68.56 112.34 46.98 0.00 0.00
96
+ ATOM 96 C PTH 1 68.56 112.34 47.98 0.00 0.00
97
+ ATOM 97 C PTH 1 68.56 112.34 48.98 0.00 0.00
98
+ ATOM 98 C PTH 1 68.56 112.34 49.98 0.00 0.00
99
+ ATOM 99 C PTH 1 68.56 112.34 50.98 0.00 0.00
100
+ ATOM 100 C PTH 1 68.56 113.34 46.98 0.00 0.00
101
+ ATOM 101 C PTH 1 68.56 113.34 47.98 0.00 0.00
102
+ ATOM 102 C PTH 1 68.56 113.34 48.98 0.00 0.00
103
+ ATOM 103 C PTH 1 68.56 113.34 49.98 0.00 0.00
104
+ ATOM 104 C PTH 1 68.56 113.34 50.98 0.00 0.00
105
+ ATOM 105 C PTH 1 68.56 114.34 47.98 0.00 0.00
106
+ ATOM 106 C PTH 1 68.56 114.34 48.98 0.00 0.00
107
+ ATOM 107 C PTH 1 68.56 114.34 49.98 0.00 0.00
108
+ ATOM 108 C PTH 1 68.56 114.34 50.98 0.00 0.00
109
+ ATOM 109 C PTH 1 69.56 107.34 46.98 0.00 0.00
110
+ ATOM 110 C PTH 1 69.56 107.34 47.98 0.00 0.00
111
+ ATOM 111 C PTH 1 69.56 107.34 48.98 0.00 0.00
112
+ ATOM 112 C PTH 1 69.56 108.34 45.98 0.00 0.00
113
+ ATOM 113 C PTH 1 69.56 108.34 46.98 0.00 0.00
114
+ ATOM 114 C PTH 1 69.56 108.34 47.98 0.00 0.00
115
+ ATOM 115 C PTH 1 69.56 108.34 48.98 0.00 0.00
116
+ ATOM 116 C PTH 1 69.56 108.34 49.98 0.00 0.00
117
+ ATOM 117 C PTH 1 69.56 109.34 45.98 0.00 0.00
118
+ ATOM 118 C PTH 1 69.56 109.34 46.98 0.00 0.00
119
+ ATOM 119 C PTH 1 69.56 109.34 47.98 0.00 0.00
120
+ ATOM 120 C PTH 1 69.56 109.34 48.98 0.00 0.00
121
+ ATOM 121 C PTH 1 69.56 109.34 49.98 0.00 0.00
122
+ ATOM 122 C PTH 1 69.56 109.34 50.98 0.00 0.00
123
+ ATOM 123 C PTH 1 69.56 110.34 44.98 0.00 0.00
124
+ ATOM 124 C PTH 1 69.56 110.34 45.98 0.00 0.00
125
+ ATOM 125 C PTH 1 69.56 110.34 46.98 0.00 0.00
126
+ ATOM 126 C PTH 1 69.56 110.34 47.98 0.00 0.00
127
+ ATOM 127 C PTH 1 69.56 110.34 48.98 0.00 0.00
128
+ ATOM 128 C PTH 1 69.56 110.34 49.98 0.00 0.00
129
+ ATOM 129 C PTH 1 69.56 110.34 50.98 0.00 0.00
130
+ ATOM 130 C PTH 1 69.56 111.34 44.98 0.00 0.00
131
+ ATOM 131 C PTH 1 69.56 111.34 45.98 0.00 0.00
132
+ ATOM 132 C PTH 1 69.56 111.34 46.98 0.00 0.00
133
+ ATOM 133 C PTH 1 69.56 111.34 47.98 0.00 0.00
134
+ ATOM 134 C PTH 1 69.56 111.34 48.98 0.00 0.00
135
+ ATOM 135 C PTH 1 69.56 111.34 49.98 0.00 0.00
136
+ ATOM 136 C PTH 1 69.56 111.34 50.98 0.00 0.00
137
+ ATOM 137 C PTH 1 69.56 112.34 46.98 0.00 0.00
138
+ ATOM 138 C PTH 1 69.56 112.34 47.98 0.00 0.00
139
+ ATOM 139 C PTH 1 69.56 112.34 48.98 0.00 0.00
140
+ ATOM 140 C PTH 1 69.56 112.34 49.98 0.00 0.00
141
+ ATOM 141 C PTH 1 69.56 112.34 50.98 0.00 0.00
142
+ ATOM 142 C PTH 1 69.56 113.34 47.98 0.00 0.00
143
+ ATOM 143 C PTH 1 69.56 113.34 48.98 0.00 0.00
144
+ ATOM 144 C PTH 1 69.56 113.34 49.98 0.00 0.00
145
+ ATOM 145 C PTH 1 69.56 113.34 50.98 0.00 0.00
146
+ ATOM 146 C PTH 1 70.56 107.34 45.98 0.00 0.00
147
+ ATOM 147 C PTH 1 70.56 107.34 46.98 0.00 0.00
148
+ ATOM 148 C PTH 1 70.56 107.34 47.98 0.00 0.00
149
+ ATOM 149 C PTH 1 70.56 107.34 48.98 0.00 0.00
150
+ ATOM 150 C PTH 1 70.56 108.34 45.98 0.00 0.00
151
+ ATOM 151 C PTH 1 70.56 108.34 46.98 0.00 0.00
152
+ ATOM 152 C PTH 1 70.56 108.34 47.98 0.00 0.00
153
+ ATOM 153 C PTH 1 70.56 108.34 48.98 0.00 0.00
154
+ ATOM 154 C PTH 1 70.56 108.34 49.98 0.00 0.00
155
+ ATOM 155 C PTH 1 70.56 109.34 45.98 0.00 0.00
156
+ ATOM 156 C PTH 1 70.56 109.34 46.98 0.00 0.00
157
+ ATOM 157 C PTH 1 70.56 109.34 47.98 0.00 0.00
158
+ ATOM 158 C PTH 1 70.56 109.34 48.98 0.00 0.00
159
+ ATOM 159 C PTH 1 70.56 109.34 49.98 0.00 0.00
160
+ ATOM 160 C PTH 1 70.56 110.34 45.98 0.00 0.00
161
+ ATOM 161 C PTH 1 70.56 110.34 46.98 0.00 0.00
162
+ ATOM 162 C PTH 1 70.56 110.34 47.98 0.00 0.00
163
+ ATOM 163 C PTH 1 70.56 110.34 48.98 0.00 0.00
164
+ ATOM 164 C PTH 1 70.56 110.34 49.98 0.00 0.00
165
+ ATOM 165 C PTH 1 70.56 110.34 50.98 0.00 0.00
166
+ ATOM 166 C PTH 1 70.56 111.34 46.98 0.00 0.00
167
+ ATOM 167 C PTH 1 70.56 111.34 47.98 0.00 0.00
168
+ ATOM 168 C PTH 1 70.56 111.34 48.98 0.00 0.00
169
+ ATOM 169 C PTH 1 70.56 111.34 49.98 0.00 0.00
170
+ ATOM 170 C PTH 1 71.56 107.34 46.98 0.00 0.00
171
+ ATOM 171 C PTH 1 71.56 107.34 47.98 0.00 0.00
172
+ ATOM 172 C PTH 1 71.56 107.34 48.98 0.00 0.00
173
+ ATOM 173 C PTH 1 71.56 108.34 45.98 0.00 0.00
174
+ ATOM 174 C PTH 1 71.56 108.34 46.98 0.00 0.00
175
+ ATOM 175 C PTH 1 71.56 108.34 47.98 0.00 0.00
176
+ ATOM 176 C PTH 1 71.56 109.34 45.98 0.00 0.00
177
+ ATOM 177 C PTH 1 71.56 109.34 46.98 0.00 0.00
178
+ ATOM 178 C PTH 1 71.56 109.34 47.98 0.00 0.00
data/files/A0016/pocket_07.pdb ADDED
@@ -0,0 +1,164 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 44.56 107.34 54.98 0.00 0.00
2
+ ATOM 2 C PTH 1 44.56 108.34 53.98 0.00 0.00
3
+ ATOM 3 C PTH 1 44.56 108.34 54.98 0.00 0.00
4
+ ATOM 4 C PTH 1 44.56 108.34 55.98 0.00 0.00
5
+ ATOM 5 C PTH 1 44.56 109.34 53.98 0.00 0.00
6
+ ATOM 6 C PTH 1 44.56 109.34 54.98 0.00 0.00
7
+ ATOM 7 C PTH 1 44.56 109.34 55.98 0.00 0.00
8
+ ATOM 8 C PTH 1 44.56 110.34 53.98 0.00 0.00
9
+ ATOM 9 C PTH 1 44.56 110.34 54.98 0.00 0.00
10
+ ATOM 10 C PTH 1 44.56 110.34 55.98 0.00 0.00
11
+ ATOM 11 C PTH 1 44.56 111.34 53.98 0.00 0.00
12
+ ATOM 12 C PTH 1 44.56 111.34 54.98 0.00 0.00
13
+ ATOM 13 C PTH 1 44.56 112.34 53.98 0.00 0.00
14
+ ATOM 14 C PTH 1 44.56 112.34 54.98 0.00 0.00
15
+ ATOM 15 C PTH 1 44.56 112.34 55.98 0.00 0.00
16
+ ATOM 16 C PTH 1 45.56 105.34 53.98 0.00 0.00
17
+ ATOM 17 C PTH 1 45.56 105.34 54.98 0.00 0.00
18
+ ATOM 18 C PTH 1 45.56 105.34 55.98 0.00 0.00
19
+ ATOM 19 C PTH 1 45.56 106.34 53.98 0.00 0.00
20
+ ATOM 20 C PTH 1 45.56 106.34 54.98 0.00 0.00
21
+ ATOM 21 C PTH 1 45.56 106.34 55.98 0.00 0.00
22
+ ATOM 22 C PTH 1 45.56 106.34 56.98 0.00 0.00
23
+ ATOM 23 C PTH 1 45.56 107.34 53.98 0.00 0.00
24
+ ATOM 24 C PTH 1 45.56 107.34 54.98 0.00 0.00
25
+ ATOM 25 C PTH 1 45.56 107.34 55.98 0.00 0.00
26
+ ATOM 26 C PTH 1 45.56 107.34 56.98 0.00 0.00
27
+ ATOM 27 C PTH 1 45.56 108.34 52.98 0.00 0.00
28
+ ATOM 28 C PTH 1 45.56 108.34 53.98 0.00 0.00
29
+ ATOM 29 C PTH 1 45.56 108.34 54.98 0.00 0.00
30
+ ATOM 30 C PTH 1 45.56 108.34 55.98 0.00 0.00
31
+ ATOM 31 C PTH 1 45.56 108.34 56.98 0.00 0.00
32
+ ATOM 32 C PTH 1 45.56 109.34 52.98 0.00 0.00
33
+ ATOM 33 C PTH 1 45.56 109.34 53.98 0.00 0.00
34
+ ATOM 34 C PTH 1 45.56 109.34 54.98 0.00 0.00
35
+ ATOM 35 C PTH 1 45.56 109.34 55.98 0.00 0.00
36
+ ATOM 36 C PTH 1 45.56 109.34 56.98 0.00 0.00
37
+ ATOM 37 C PTH 1 45.56 110.34 52.98 0.00 0.00
38
+ ATOM 38 C PTH 1 45.56 110.34 53.98 0.00 0.00
39
+ ATOM 39 C PTH 1 45.56 110.34 54.98 0.00 0.00
40
+ ATOM 40 C PTH 1 45.56 110.34 55.98 0.00 0.00
41
+ ATOM 41 C PTH 1 45.56 110.34 56.98 0.00 0.00
42
+ ATOM 42 C PTH 1 45.56 111.34 52.98 0.00 0.00
43
+ ATOM 43 C PTH 1 45.56 111.34 53.98 0.00 0.00
44
+ ATOM 44 C PTH 1 45.56 111.34 54.98 0.00 0.00
45
+ ATOM 45 C PTH 1 45.56 111.34 55.98 0.00 0.00
46
+ ATOM 46 C PTH 1 45.56 111.34 56.98 0.00 0.00
47
+ ATOM 47 C PTH 1 45.56 112.34 53.98 0.00 0.00
48
+ ATOM 48 C PTH 1 45.56 112.34 54.98 0.00 0.00
49
+ ATOM 49 C PTH 1 45.56 112.34 55.98 0.00 0.00
50
+ ATOM 50 C PTH 1 45.56 112.34 56.98 0.00 0.00
51
+ ATOM 51 C PTH 1 46.56 105.34 54.98 0.00 0.00
52
+ ATOM 52 C PTH 1 46.56 105.34 55.98 0.00 0.00
53
+ ATOM 53 C PTH 1 46.56 105.34 56.98 0.00 0.00
54
+ ATOM 54 C PTH 1 46.56 105.34 57.98 0.00 0.00
55
+ ATOM 55 C PTH 1 46.56 106.34 53.98 0.00 0.00
56
+ ATOM 56 C PTH 1 46.56 106.34 54.98 0.00 0.00
57
+ ATOM 57 C PTH 1 46.56 106.34 55.98 0.00 0.00
58
+ ATOM 58 C PTH 1 46.56 106.34 56.98 0.00 0.00
59
+ ATOM 59 C PTH 1 46.56 107.34 52.98 0.00 0.00
60
+ ATOM 60 C PTH 1 46.56 107.34 53.98 0.00 0.00
61
+ ATOM 61 C PTH 1 46.56 107.34 54.98 0.00 0.00
62
+ ATOM 62 C PTH 1 46.56 107.34 55.98 0.00 0.00
63
+ ATOM 63 C PTH 1 46.56 107.34 56.98 0.00 0.00
64
+ ATOM 64 C PTH 1 46.56 108.34 52.98 0.00 0.00
65
+ ATOM 65 C PTH 1 46.56 108.34 53.98 0.00 0.00
66
+ ATOM 66 C PTH 1 46.56 108.34 54.98 0.00 0.00
67
+ ATOM 67 C PTH 1 46.56 108.34 55.98 0.00 0.00
68
+ ATOM 68 C PTH 1 46.56 108.34 56.98 0.00 0.00
69
+ ATOM 69 C PTH 1 46.56 108.34 57.98 0.00 0.00
70
+ ATOM 70 C PTH 1 46.56 109.34 52.98 0.00 0.00
71
+ ATOM 71 C PTH 1 46.56 109.34 53.98 0.00 0.00
72
+ ATOM 72 C PTH 1 46.56 109.34 54.98 0.00 0.00
73
+ ATOM 73 C PTH 1 46.56 109.34 55.98 0.00 0.00
74
+ ATOM 74 C PTH 1 46.56 109.34 56.98 0.00 0.00
75
+ ATOM 75 C PTH 1 46.56 109.34 57.98 0.00 0.00
76
+ ATOM 76 C PTH 1 46.56 110.34 52.98 0.00 0.00
77
+ ATOM 77 C PTH 1 46.56 110.34 53.98 0.00 0.00
78
+ ATOM 78 C PTH 1 46.56 110.34 54.98 0.00 0.00
79
+ ATOM 79 C PTH 1 46.56 110.34 55.98 0.00 0.00
80
+ ATOM 80 C PTH 1 46.56 110.34 56.98 0.00 0.00
81
+ ATOM 81 C PTH 1 46.56 110.34 57.98 0.00 0.00
82
+ ATOM 82 C PTH 1 46.56 111.34 52.98 0.00 0.00
83
+ ATOM 83 C PTH 1 46.56 111.34 53.98 0.00 0.00
84
+ ATOM 84 C PTH 1 46.56 111.34 54.98 0.00 0.00
85
+ ATOM 85 C PTH 1 46.56 111.34 55.98 0.00 0.00
86
+ ATOM 86 C PTH 1 46.56 111.34 56.98 0.00 0.00
87
+ ATOM 87 C PTH 1 46.56 111.34 57.98 0.00 0.00
88
+ ATOM 88 C PTH 1 46.56 112.34 53.98 0.00 0.00
89
+ ATOM 89 C PTH 1 46.56 112.34 54.98 0.00 0.00
90
+ ATOM 90 C PTH 1 46.56 112.34 55.98 0.00 0.00
91
+ ATOM 91 C PTH 1 46.56 112.34 56.98 0.00 0.00
92
+ ATOM 92 C PTH 1 46.56 112.34 57.98 0.00 0.00
93
+ ATOM 93 C PTH 1 47.56 105.34 54.98 0.00 0.00
94
+ ATOM 94 C PTH 1 47.56 105.34 55.98 0.00 0.00
95
+ ATOM 95 C PTH 1 47.56 105.34 56.98 0.00 0.00
96
+ ATOM 96 C PTH 1 47.56 105.34 57.98 0.00 0.00
97
+ ATOM 97 C PTH 1 47.56 106.34 54.98 0.00 0.00
98
+ ATOM 98 C PTH 1 47.56 106.34 55.98 0.00 0.00
99
+ ATOM 99 C PTH 1 47.56 106.34 56.98 0.00 0.00
100
+ ATOM 100 C PTH 1 47.56 106.34 57.98 0.00 0.00
101
+ ATOM 101 C PTH 1 47.56 107.34 53.98 0.00 0.00
102
+ ATOM 102 C PTH 1 47.56 107.34 54.98 0.00 0.00
103
+ ATOM 103 C PTH 1 47.56 107.34 55.98 0.00 0.00
104
+ ATOM 104 C PTH 1 47.56 107.34 56.98 0.00 0.00
105
+ ATOM 105 C PTH 1 47.56 107.34 57.98 0.00 0.00
106
+ ATOM 106 C PTH 1 47.56 108.34 52.98 0.00 0.00
107
+ ATOM 107 C PTH 1 47.56 108.34 53.98 0.00 0.00
108
+ ATOM 108 C PTH 1 47.56 108.34 54.98 0.00 0.00
109
+ ATOM 109 C PTH 1 47.56 108.34 55.98 0.00 0.00
110
+ ATOM 110 C PTH 1 47.56 108.34 56.98 0.00 0.00
111
+ ATOM 111 C PTH 1 47.56 108.34 57.98 0.00 0.00
112
+ ATOM 112 C PTH 1 47.56 109.34 52.98 0.00 0.00
113
+ ATOM 113 C PTH 1 47.56 109.34 53.98 0.00 0.00
114
+ ATOM 114 C PTH 1 47.56 109.34 54.98 0.00 0.00
115
+ ATOM 115 C PTH 1 47.56 109.34 55.98 0.00 0.00
116
+ ATOM 116 C PTH 1 47.56 109.34 56.98 0.00 0.00
117
+ ATOM 117 C PTH 1 47.56 109.34 57.98 0.00 0.00
118
+ ATOM 118 C PTH 1 47.56 110.34 52.98 0.00 0.00
119
+ ATOM 119 C PTH 1 47.56 110.34 53.98 0.00 0.00
120
+ ATOM 120 C PTH 1 47.56 110.34 54.98 0.00 0.00
121
+ ATOM 121 C PTH 1 47.56 110.34 55.98 0.00 0.00
122
+ ATOM 122 C PTH 1 47.56 110.34 56.98 0.00 0.00
123
+ ATOM 123 C PTH 1 47.56 110.34 57.98 0.00 0.00
124
+ ATOM 124 C PTH 1 47.56 111.34 53.98 0.00 0.00
125
+ ATOM 125 C PTH 1 47.56 111.34 54.98 0.00 0.00
126
+ ATOM 126 C PTH 1 47.56 111.34 55.98 0.00 0.00
127
+ ATOM 127 C PTH 1 47.56 111.34 56.98 0.00 0.00
128
+ ATOM 128 C PTH 1 47.56 112.34 54.98 0.00 0.00
129
+ ATOM 129 C PTH 1 47.56 112.34 55.98 0.00 0.00
130
+ ATOM 130 C PTH 1 48.56 105.34 56.98 0.00 0.00
131
+ ATOM 131 C PTH 1 48.56 105.34 57.98 0.00 0.00
132
+ ATOM 132 C PTH 1 48.56 106.34 56.98 0.00 0.00
133
+ ATOM 133 C PTH 1 48.56 106.34 57.98 0.00 0.00
134
+ ATOM 134 C PTH 1 48.56 107.34 54.98 0.00 0.00
135
+ ATOM 135 C PTH 1 48.56 107.34 55.98 0.00 0.00
136
+ ATOM 136 C PTH 1 48.56 107.34 56.98 0.00 0.00
137
+ ATOM 137 C PTH 1 48.56 107.34 57.98 0.00 0.00
138
+ ATOM 138 C PTH 1 48.56 108.34 53.98 0.00 0.00
139
+ ATOM 139 C PTH 1 48.56 108.34 54.98 0.00 0.00
140
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150
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164
+ ATOM 164 C PTH 1 49.56 110.34 56.98 0.00 0.00
data/files/A0016/pocket_08.pdb ADDED
@@ -0,0 +1,159 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 51.56 107.34 56.98 0.00 0.00
2
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159
+ ATOM 159 C PTH 1 56.56 111.34 57.98 0.00 0.00
data/files/A0016/pocket_09.pdb ADDED
@@ -0,0 +1,86 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 89.56 126.34 64.98 0.00 0.00
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86
+ ATOM 86 C PTH 1 94.56 127.34 66.98 0.00 0.00
data/files/A0016/pocket_10.pdb ADDED
@@ -0,0 +1,65 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 62.56 115.34 67.98 0.00 0.00
2
+ ATOM 2 C PTH 1 62.56 115.34 68.98 0.00 0.00
3
+ ATOM 3 C PTH 1 63.56 113.34 66.98 0.00 0.00
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7
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8
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data/files/A0016/structure.pdb ADDED
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data/files/A0018/pocket_01.pdb ADDED
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1
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data/files/A0018/pocket_02.pdb ADDED
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1
+ ATOM 1 C PTH 1 62.31 83.95 35.01 0.00 0.00
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25
+ ATOM 25 C PTH 1 63.31 84.95 33.01 0.00 0.00
26
+ ATOM 26 C PTH 1 63.31 84.95 34.01 0.00 0.00
27
+ ATOM 27 C PTH 1 63.31 84.95 35.01 0.00 0.00
28
+ ATOM 28 C PTH 1 63.31 85.95 30.01 0.00 0.00
29
+ ATOM 29 C PTH 1 63.31 85.95 31.01 0.00 0.00
30
+ ATOM 30 C PTH 1 63.31 85.95 32.01 0.00 0.00
31
+ ATOM 31 C PTH 1 63.31 85.95 33.01 0.00 0.00
32
+ ATOM 32 C PTH 1 63.31 85.95 34.01 0.00 0.00
33
+ ATOM 33 C PTH 1 63.31 85.95 35.01 0.00 0.00
34
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35
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36
+ ATOM 36 C PTH 1 63.31 86.95 32.01 0.00 0.00
37
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38
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39
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40
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41
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42
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43
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44
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48
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49
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60
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61
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62
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63
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64
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65
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66
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67
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68
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71
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73
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75
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77
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78
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79
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80
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81
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83
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84
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85
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86
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95
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101
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102
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103
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104
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105
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106
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107
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111
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141
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142
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143
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144
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145
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146
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147
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148
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149
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152
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153
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154
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155
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156
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158
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159
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160
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161
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162
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164
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167
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168
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173
+ ATOM 173 C PTH 1 67.31 90.95 33.01 0.00 0.00
data/files/A0018/pocket_03.pdb ADDED
@@ -0,0 +1,144 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 80.31 58.95 32.01 0.00 0.00
2
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3
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31
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66
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68
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78
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80
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95
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96
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98
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100
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101
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103
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104
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105
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106
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107
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111
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112
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114
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115
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116
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118
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126
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127
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128
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134
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135
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136
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data/files/A0018/pocket_04.pdb ADDED
@@ -0,0 +1,143 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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data/files/A0018/pocket_05.pdb ADDED
@@ -0,0 +1,140 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A0018/pocket_06.pdb ADDED
@@ -0,0 +1,74 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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data/files/A0018/pocket_07.pdb ADDED
@@ -0,0 +1,74 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A0018/pocket_08.pdb ADDED
@@ -0,0 +1,66 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A0018/pocket_09.pdb ADDED
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+ ATOM 51 C PTH 1 79.31 71.95 20.01 0.00 0.00
52
+ ATOM 52 C PTH 1 79.31 71.95 21.01 0.00 0.00
53
+ ATOM 53 C PTH 1 79.31 72.95 19.01 0.00 0.00
54
+ ATOM 54 C PTH 1 79.31 72.95 20.01 0.00 0.00
55
+ ATOM 55 C PTH 1 79.31 72.95 21.01 0.00 0.00