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  1. data/files/A000G/pocket_04.pdb +171 -0
  2. data/files/A000G/pocket_06.pdb +168 -0
  3. data/files/A000W/pocket_03.pdb +306 -0
  4. data/files/A000W/pocket_04.pdb +185 -0
  5. data/files/A000W/pocket_09.pdb +92 -0
  6. data/files/A000W/structure.pdb +0 -0
  7. data/files/A0019/pocket_01.pdb +232 -0
  8. data/files/A0019/pocket_02.pdb +196 -0
  9. data/files/A0019/pocket_03.pdb +106 -0
  10. data/files/A001C/pocket_01.pdb +225 -0
  11. data/files/A001C/pocket_05.pdb +109 -0
  12. data/files/A001J/structure.pdb +0 -0
  13. data/files/A002F/pocket_02.pdb +322 -0
  14. data/files/A002F/pocket_03.pdb +167 -0
  15. data/files/A002F/pocket_04.pdb +137 -0
  16. data/files/A002F/pocket_05.pdb +103 -0
  17. data/files/A002F/pocket_07.pdb +65 -0
  18. data/files/A002F/pocket_08.pdb +60 -0
  19. data/files/A0040/pocket_01.pdb +839 -0
  20. data/files/A0040/pocket_05.pdb +184 -0
  21. data/files/A0040/pocket_07.pdb +98 -0
  22. data/files/A0040/pocket_09.pdb +87 -0
  23. data/files/A0040/pocket_10.pdb +78 -0
  24. data/files/A0042/pocket_05.pdb +74 -0
  25. data/files/A005X/pocket_01.pdb +150 -0
  26. data/files/A005X/pocket_02.pdb +148 -0
  27. data/files/A005X/pocket_09.pdb +68 -0
  28. data/files/A005X/pocket_10.pdb +65 -0
  29. data/files/A005X/structure.pdb +0 -0
  30. data/files/A0065/structure.pdb +0 -0
  31. data/files/A0076/pocket_04.pdb +254 -0
  32. data/files/A0076/pocket_07.pdb +186 -0
  33. data/files/A007W/pocket_02.pdb +199 -0
  34. data/files/A007W/pocket_04.pdb +193 -0
  35. data/files/A007W/pocket_05.pdb +187 -0
  36. data/files/A007W/pocket_07.pdb +125 -0
  37. data/files/A0084/pocket_01.pdb +421 -0
  38. data/files/A0084/pocket_03.pdb +131 -0
  39. data/files/A0084/pocket_04.pdb +104 -0
  40. data/files/A0084/pocket_05.pdb +90 -0
  41. data/files/A0084/structure.pdb +0 -0
  42. data/files/A0098/structure.pdb +0 -0
  43. data/files/A009J/pocket_07.pdb +176 -0
  44. data/files/A009J/pocket_09.pdb +55 -0
  45. data/files/A009M/pocket_03.pdb +293 -0
  46. data/files/A009M/pocket_04.pdb +227 -0
  47. data/files/A009M/pocket_05.pdb +199 -0
  48. data/files/A009M/pocket_06.pdb +182 -0
  49. data/files/A009M/pocket_08.pdb +136 -0
  50. data/files/A009M/pocket_09.pdb +124 -0
data/files/A000G/pocket_04.pdb ADDED
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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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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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83
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85
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86
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87
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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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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
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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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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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124
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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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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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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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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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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
+ ATOM 168 C PTH 1 58.56 74.36 24.34 0.00 0.00
data/files/A000W/pocket_03.pdb ADDED
@@ -0,0 +1,306 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 64.41 73.72 31.47 0.00 0.00
2
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3
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4
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5
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7
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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
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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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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
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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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47
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48
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49
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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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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
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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
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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
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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
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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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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
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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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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
+ ATOM 170 C PTH 1 70.41 72.72 29.47 0.00 0.00
171
+ ATOM 171 C PTH 1 70.41 72.72 30.47 0.00 0.00
172
+ ATOM 172 C PTH 1 70.41 72.72 31.47 0.00 0.00
173
+ ATOM 173 C PTH 1 70.41 72.72 32.47 0.00 0.00
174
+ ATOM 174 C PTH 1 70.41 72.72 33.47 0.00 0.00
175
+ ATOM 175 C PTH 1 70.41 73.72 28.47 0.00 0.00
176
+ ATOM 176 C PTH 1 70.41 73.72 29.47 0.00 0.00
177
+ ATOM 177 C PTH 1 70.41 73.72 30.47 0.00 0.00
178
+ ATOM 178 C PTH 1 70.41 73.72 31.47 0.00 0.00
179
+ ATOM 179 C PTH 1 70.41 73.72 32.47 0.00 0.00
180
+ ATOM 180 C PTH 1 70.41 73.72 33.47 0.00 0.00
181
+ ATOM 181 C PTH 1 70.41 73.72 34.47 0.00 0.00
182
+ ATOM 182 C PTH 1 70.41 74.72 29.47 0.00 0.00
183
+ ATOM 183 C PTH 1 70.41 74.72 30.47 0.00 0.00
184
+ ATOM 184 C PTH 1 70.41 74.72 31.47 0.00 0.00
185
+ ATOM 185 C PTH 1 70.41 74.72 32.47 0.00 0.00
186
+ ATOM 186 C PTH 1 70.41 74.72 33.47 0.00 0.00
187
+ ATOM 187 C PTH 1 70.41 74.72 34.47 0.00 0.00
188
+ ATOM 188 C PTH 1 70.41 75.72 31.47 0.00 0.00
189
+ ATOM 189 C PTH 1 70.41 75.72 32.47 0.00 0.00
190
+ ATOM 190 C PTH 1 70.41 75.72 33.47 0.00 0.00
191
+ ATOM 191 C PTH 1 70.41 75.72 34.47 0.00 0.00
192
+ ATOM 192 C PTH 1 70.41 76.72 31.47 0.00 0.00
193
+ ATOM 193 C PTH 1 70.41 76.72 32.47 0.00 0.00
194
+ ATOM 194 C PTH 1 70.41 76.72 33.47 0.00 0.00
195
+ ATOM 195 C PTH 1 70.41 76.72 34.47 0.00 0.00
196
+ ATOM 196 C PTH 1 70.41 77.72 32.47 0.00 0.00
197
+ ATOM 197 C PTH 1 70.41 77.72 33.47 0.00 0.00
198
+ ATOM 198 C PTH 1 70.41 77.72 34.47 0.00 0.00
199
+ ATOM 199 C PTH 1 71.41 70.72 27.47 0.00 0.00
200
+ ATOM 200 C PTH 1 71.41 70.72 28.47 0.00 0.00
201
+ ATOM 201 C PTH 1 71.41 70.72 29.47 0.00 0.00
202
+ ATOM 202 C PTH 1 71.41 70.72 30.47 0.00 0.00
203
+ ATOM 203 C PTH 1 71.41 70.72 31.47 0.00 0.00
204
+ ATOM 204 C PTH 1 71.41 71.72 27.47 0.00 0.00
205
+ ATOM 205 C PTH 1 71.41 71.72 28.47 0.00 0.00
206
+ ATOM 206 C PTH 1 71.41 71.72 29.47 0.00 0.00
207
+ ATOM 207 C PTH 1 71.41 71.72 30.47 0.00 0.00
208
+ ATOM 208 C PTH 1 71.41 71.72 31.47 0.00 0.00
209
+ ATOM 209 C PTH 1 71.41 71.72 32.47 0.00 0.00
210
+ ATOM 210 C PTH 1 71.41 72.72 28.47 0.00 0.00
211
+ ATOM 211 C PTH 1 71.41 72.72 29.47 0.00 0.00
212
+ ATOM 212 C PTH 1 71.41 72.72 30.47 0.00 0.00
213
+ ATOM 213 C PTH 1 71.41 72.72 31.47 0.00 0.00
214
+ ATOM 214 C PTH 1 71.41 72.72 32.47 0.00 0.00
215
+ ATOM 215 C PTH 1 71.41 72.72 33.47 0.00 0.00
216
+ ATOM 216 C PTH 1 71.41 72.72 34.47 0.00 0.00
217
+ ATOM 217 C PTH 1 71.41 73.72 29.47 0.00 0.00
218
+ ATOM 218 C PTH 1 71.41 73.72 30.47 0.00 0.00
219
+ ATOM 219 C PTH 1 71.41 73.72 31.47 0.00 0.00
220
+ ATOM 220 C PTH 1 71.41 73.72 32.47 0.00 0.00
221
+ ATOM 221 C PTH 1 71.41 73.72 33.47 0.00 0.00
222
+ ATOM 222 C PTH 1 71.41 73.72 34.47 0.00 0.00
223
+ ATOM 223 C PTH 1 71.41 73.72 35.47 0.00 0.00
224
+ ATOM 224 C PTH 1 71.41 74.72 32.47 0.00 0.00
225
+ ATOM 225 C PTH 1 71.41 74.72 33.47 0.00 0.00
226
+ ATOM 226 C PTH 1 71.41 74.72 34.47 0.00 0.00
227
+ ATOM 227 C PTH 1 71.41 74.72 35.47 0.00 0.00
228
+ ATOM 228 C PTH 1 71.41 75.72 32.47 0.00 0.00
229
+ ATOM 229 C PTH 1 71.41 75.72 33.47 0.00 0.00
230
+ ATOM 230 C PTH 1 71.41 75.72 34.47 0.00 0.00
231
+ ATOM 231 C PTH 1 71.41 76.72 32.47 0.00 0.00
232
+ ATOM 232 C PTH 1 71.41 76.72 33.47 0.00 0.00
233
+ ATOM 233 C PTH 1 71.41 76.72 34.47 0.00 0.00
234
+ ATOM 234 C PTH 1 71.41 77.72 33.47 0.00 0.00
235
+ ATOM 235 C PTH 1 72.41 70.72 28.47 0.00 0.00
236
+ ATOM 236 C PTH 1 72.41 70.72 29.47 0.00 0.00
237
+ ATOM 237 C PTH 1 72.41 70.72 31.47 0.00 0.00
238
+ ATOM 238 C PTH 1 72.41 71.72 28.47 0.00 0.00
239
+ ATOM 239 C PTH 1 72.41 71.72 29.47 0.00 0.00
240
+ ATOM 240 C PTH 1 72.41 71.72 30.47 0.00 0.00
241
+ ATOM 241 C PTH 1 72.41 71.72 31.47 0.00 0.00
242
+ ATOM 242 C PTH 1 72.41 71.72 32.47 0.00 0.00
243
+ ATOM 243 C PTH 1 72.41 71.72 33.47 0.00 0.00
244
+ ATOM 244 C PTH 1 72.41 72.72 31.47 0.00 0.00
245
+ ATOM 245 C PTH 1 72.41 72.72 32.47 0.00 0.00
246
+ ATOM 246 C PTH 1 72.41 72.72 33.47 0.00 0.00
247
+ ATOM 247 C PTH 1 72.41 72.72 34.47 0.00 0.00
248
+ ATOM 248 C PTH 1 72.41 72.72 35.47 0.00 0.00
249
+ ATOM 249 C PTH 1 72.41 73.72 32.47 0.00 0.00
250
+ ATOM 250 C PTH 1 72.41 73.72 33.47 0.00 0.00
251
+ ATOM 251 C PTH 1 72.41 73.72 34.47 0.00 0.00
252
+ ATOM 252 C PTH 1 72.41 73.72 35.47 0.00 0.00
253
+ ATOM 253 C PTH 1 72.41 74.72 32.47 0.00 0.00
254
+ ATOM 254 C PTH 1 72.41 74.72 33.47 0.00 0.00
255
+ ATOM 255 C PTH 1 72.41 74.72 34.47 0.00 0.00
256
+ ATOM 256 C PTH 1 72.41 74.72 35.47 0.00 0.00
257
+ ATOM 257 C PTH 1 72.41 75.72 32.47 0.00 0.00
258
+ ATOM 258 C PTH 1 72.41 75.72 33.47 0.00 0.00
259
+ ATOM 259 C PTH 1 72.41 75.72 34.47 0.00 0.00
260
+ ATOM 260 C PTH 1 72.41 75.72 35.47 0.00 0.00
261
+ ATOM 261 C PTH 1 73.41 71.72 31.47 0.00 0.00
262
+ ATOM 262 C PTH 1 73.41 71.72 32.47 0.00 0.00
263
+ ATOM 263 C PTH 1 73.41 71.72 33.47 0.00 0.00
264
+ ATOM 264 C PTH 1 73.41 71.72 34.47 0.00 0.00
265
+ ATOM 265 C PTH 1 73.41 72.72 32.47 0.00 0.00
266
+ ATOM 266 C PTH 1 73.41 72.72 33.47 0.00 0.00
267
+ ATOM 267 C PTH 1 73.41 72.72 34.47 0.00 0.00
268
+ ATOM 268 C PTH 1 73.41 72.72 35.47 0.00 0.00
269
+ ATOM 269 C PTH 1 73.41 73.72 32.47 0.00 0.00
270
+ ATOM 270 C PTH 1 73.41 73.72 33.47 0.00 0.00
271
+ ATOM 271 C PTH 1 73.41 73.72 34.47 0.00 0.00
272
+ ATOM 272 C PTH 1 73.41 73.72 35.47 0.00 0.00
273
+ ATOM 273 C PTH 1 73.41 74.72 32.47 0.00 0.00
274
+ ATOM 274 C PTH 1 73.41 74.72 33.47 0.00 0.00
275
+ ATOM 275 C PTH 1 73.41 74.72 34.47 0.00 0.00
276
+ ATOM 276 C PTH 1 73.41 74.72 35.47 0.00 0.00
277
+ ATOM 277 C PTH 1 73.41 75.72 34.47 0.00 0.00
278
+ ATOM 278 C PTH 1 73.41 75.72 35.47 0.00 0.00
279
+ ATOM 279 C PTH 1 74.41 71.72 32.47 0.00 0.00
280
+ ATOM 280 C PTH 1 74.41 71.72 33.47 0.00 0.00
281
+ ATOM 281 C PTH 1 74.41 71.72 34.47 0.00 0.00
282
+ ATOM 282 C PTH 1 74.41 72.72 32.47 0.00 0.00
283
+ ATOM 283 C PTH 1 74.41 72.72 33.47 0.00 0.00
284
+ ATOM 284 C PTH 1 74.41 72.72 34.47 0.00 0.00
285
+ ATOM 285 C PTH 1 74.41 72.72 35.47 0.00 0.00
286
+ ATOM 286 C PTH 1 74.41 73.72 32.47 0.00 0.00
287
+ ATOM 287 C PTH 1 74.41 73.72 33.47 0.00 0.00
288
+ ATOM 288 C PTH 1 74.41 73.72 34.47 0.00 0.00
289
+ ATOM 289 C PTH 1 74.41 73.72 35.47 0.00 0.00
290
+ ATOM 290 C PTH 1 74.41 74.72 32.47 0.00 0.00
291
+ ATOM 291 C PTH 1 74.41 74.72 33.47 0.00 0.00
292
+ ATOM 292 C PTH 1 74.41 74.72 34.47 0.00 0.00
293
+ ATOM 293 C PTH 1 74.41 74.72 35.47 0.00 0.00
294
+ ATOM 294 C PTH 1 74.41 75.72 34.47 0.00 0.00
295
+ ATOM 295 C PTH 1 74.41 75.72 35.47 0.00 0.00
296
+ ATOM 296 C PTH 1 74.41 75.72 36.47 0.00 0.00
297
+ ATOM 297 C PTH 1 75.41 72.72 33.47 0.00 0.00
298
+ ATOM 298 C PTH 1 75.41 72.72 34.47 0.00 0.00
299
+ ATOM 299 C PTH 1 75.41 73.72 32.47 0.00 0.00
300
+ ATOM 300 C PTH 1 75.41 73.72 33.47 0.00 0.00
301
+ ATOM 301 C PTH 1 75.41 73.72 34.47 0.00 0.00
302
+ ATOM 302 C PTH 1 75.41 74.72 32.47 0.00 0.00
303
+ ATOM 303 C PTH 1 75.41 74.72 33.47 0.00 0.00
304
+ ATOM 304 C PTH 1 75.41 74.72 34.47 0.00 0.00
305
+ ATOM 305 C PTH 1 75.41 74.72 35.47 0.00 0.00
306
+ ATOM 306 C PTH 1 75.41 75.72 36.47 0.00 0.00
data/files/A000W/pocket_04.pdb ADDED
@@ -0,0 +1,185 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 94.41 74.72 38.47 0.00 0.00
2
+ ATOM 2 C PTH 1 94.41 74.72 39.47 0.00 0.00
3
+ ATOM 3 C PTH 1 94.41 75.72 37.47 0.00 0.00
4
+ ATOM 4 C PTH 1 94.41 75.72 38.47 0.00 0.00
5
+ ATOM 5 C PTH 1 94.41 75.72 39.47 0.00 0.00
6
+ ATOM 6 C PTH 1 94.41 75.72 40.47 0.00 0.00
7
+ ATOM 7 C PTH 1 94.41 76.72 37.47 0.00 0.00
8
+ ATOM 8 C PTH 1 94.41 76.72 38.47 0.00 0.00
9
+ ATOM 9 C PTH 1 94.41 76.72 39.47 0.00 0.00
10
+ ATOM 10 C PTH 1 94.41 76.72 40.47 0.00 0.00
11
+ ATOM 11 C PTH 1 94.41 77.72 37.47 0.00 0.00
12
+ ATOM 12 C PTH 1 94.41 77.72 38.47 0.00 0.00
13
+ ATOM 13 C PTH 1 94.41 77.72 39.47 0.00 0.00
14
+ ATOM 14 C PTH 1 94.41 77.72 40.47 0.00 0.00
15
+ ATOM 15 C PTH 1 94.41 78.72 34.47 0.00 0.00
16
+ ATOM 16 C PTH 1 94.41 78.72 35.47 0.00 0.00
17
+ ATOM 17 C PTH 1 94.41 78.72 37.47 0.00 0.00
18
+ ATOM 18 C PTH 1 94.41 78.72 38.47 0.00 0.00
19
+ ATOM 19 C PTH 1 94.41 78.72 39.47 0.00 0.00
20
+ ATOM 20 C PTH 1 94.41 79.72 34.47 0.00 0.00
21
+ ATOM 21 C PTH 1 94.41 79.72 35.47 0.00 0.00
22
+ ATOM 22 C PTH 1 94.41 80.72 34.47 0.00 0.00
23
+ ATOM 23 C PTH 1 94.41 80.72 35.47 0.00 0.00
24
+ ATOM 24 C PTH 1 95.41 74.72 37.47 0.00 0.00
25
+ ATOM 25 C PTH 1 95.41 74.72 38.47 0.00 0.00
26
+ ATOM 26 C PTH 1 95.41 74.72 39.47 0.00 0.00
27
+ ATOM 27 C PTH 1 95.41 74.72 40.47 0.00 0.00
28
+ ATOM 28 C PTH 1 95.41 75.72 37.47 0.00 0.00
29
+ ATOM 29 C PTH 1 95.41 75.72 38.47 0.00 0.00
30
+ ATOM 30 C PTH 1 95.41 75.72 39.47 0.00 0.00
31
+ ATOM 31 C PTH 1 95.41 75.72 40.47 0.00 0.00
32
+ ATOM 32 C PTH 1 95.41 76.72 36.47 0.00 0.00
33
+ ATOM 33 C PTH 1 95.41 76.72 37.47 0.00 0.00
34
+ ATOM 34 C PTH 1 95.41 76.72 38.47 0.00 0.00
35
+ ATOM 35 C PTH 1 95.41 76.72 39.47 0.00 0.00
36
+ ATOM 36 C PTH 1 95.41 76.72 40.47 0.00 0.00
37
+ ATOM 37 C PTH 1 95.41 77.72 35.47 0.00 0.00
38
+ ATOM 38 C PTH 1 95.41 77.72 36.47 0.00 0.00
39
+ ATOM 39 C PTH 1 95.41 77.72 37.47 0.00 0.00
40
+ ATOM 40 C PTH 1 95.41 77.72 38.47 0.00 0.00
41
+ ATOM 41 C PTH 1 95.41 77.72 39.47 0.00 0.00
42
+ ATOM 42 C PTH 1 95.41 77.72 40.47 0.00 0.00
43
+ ATOM 43 C PTH 1 95.41 78.72 34.47 0.00 0.00
44
+ ATOM 44 C PTH 1 95.41 78.72 35.47 0.00 0.00
45
+ ATOM 45 C PTH 1 95.41 78.72 36.47 0.00 0.00
46
+ ATOM 46 C PTH 1 95.41 78.72 37.47 0.00 0.00
47
+ ATOM 47 C PTH 1 95.41 78.72 38.47 0.00 0.00
48
+ ATOM 48 C PTH 1 95.41 78.72 39.47 0.00 0.00
49
+ ATOM 49 C PTH 1 95.41 78.72 40.47 0.00 0.00
50
+ ATOM 50 C PTH 1 95.41 79.72 34.47 0.00 0.00
51
+ ATOM 51 C PTH 1 95.41 79.72 35.47 0.00 0.00
52
+ ATOM 52 C PTH 1 95.41 79.72 36.47 0.00 0.00
53
+ ATOM 53 C PTH 1 95.41 79.72 37.47 0.00 0.00
54
+ ATOM 54 C PTH 1 95.41 79.72 38.47 0.00 0.00
55
+ ATOM 55 C PTH 1 95.41 79.72 39.47 0.00 0.00
56
+ ATOM 56 C PTH 1 96.41 73.72 37.47 0.00 0.00
57
+ ATOM 57 C PTH 1 96.41 73.72 38.47 0.00 0.00
58
+ ATOM 58 C PTH 1 96.41 73.72 39.47 0.00 0.00
59
+ ATOM 59 C PTH 1 96.41 74.72 37.47 0.00 0.00
60
+ ATOM 60 C PTH 1 96.41 74.72 38.47 0.00 0.00
61
+ ATOM 61 C PTH 1 96.41 74.72 39.47 0.00 0.00
62
+ ATOM 62 C PTH 1 96.41 74.72 40.47 0.00 0.00
63
+ ATOM 63 C PTH 1 96.41 75.72 37.47 0.00 0.00
64
+ ATOM 64 C PTH 1 96.41 75.72 38.47 0.00 0.00
65
+ ATOM 65 C PTH 1 96.41 75.72 39.47 0.00 0.00
66
+ ATOM 66 C PTH 1 96.41 75.72 40.47 0.00 0.00
67
+ ATOM 67 C PTH 1 96.41 76.72 35.47 0.00 0.00
68
+ ATOM 68 C PTH 1 96.41 76.72 36.47 0.00 0.00
69
+ ATOM 69 C PTH 1 96.41 76.72 37.47 0.00 0.00
70
+ ATOM 70 C PTH 1 96.41 76.72 38.47 0.00 0.00
71
+ ATOM 71 C PTH 1 96.41 76.72 39.47 0.00 0.00
72
+ ATOM 72 C PTH 1 96.41 76.72 40.47 0.00 0.00
73
+ ATOM 73 C PTH 1 96.41 77.72 34.47 0.00 0.00
74
+ ATOM 74 C PTH 1 96.41 77.72 35.47 0.00 0.00
75
+ ATOM 75 C PTH 1 96.41 77.72 36.47 0.00 0.00
76
+ ATOM 76 C PTH 1 96.41 77.72 37.47 0.00 0.00
77
+ ATOM 77 C PTH 1 96.41 77.72 38.47 0.00 0.00
78
+ ATOM 78 C PTH 1 96.41 77.72 39.47 0.00 0.00
79
+ ATOM 79 C PTH 1 96.41 77.72 40.47 0.00 0.00
80
+ ATOM 80 C PTH 1 96.41 78.72 34.47 0.00 0.00
81
+ ATOM 81 C PTH 1 96.41 78.72 35.47 0.00 0.00
82
+ ATOM 82 C PTH 1 96.41 78.72 36.47 0.00 0.00
83
+ ATOM 83 C PTH 1 96.41 78.72 37.47 0.00 0.00
84
+ ATOM 84 C PTH 1 96.41 78.72 38.47 0.00 0.00
85
+ ATOM 85 C PTH 1 96.41 78.72 39.47 0.00 0.00
86
+ ATOM 86 C PTH 1 96.41 78.72 40.47 0.00 0.00
87
+ ATOM 87 C PTH 1 96.41 79.72 34.47 0.00 0.00
88
+ ATOM 88 C PTH 1 96.41 79.72 35.47 0.00 0.00
89
+ ATOM 89 C PTH 1 96.41 79.72 36.47 0.00 0.00
90
+ ATOM 90 C PTH 1 96.41 79.72 37.47 0.00 0.00
91
+ ATOM 91 C PTH 1 96.41 79.72 38.47 0.00 0.00
92
+ ATOM 92 C PTH 1 96.41 79.72 39.47 0.00 0.00
93
+ ATOM 93 C PTH 1 97.41 73.72 37.47 0.00 0.00
94
+ ATOM 94 C PTH 1 97.41 73.72 38.47 0.00 0.00
95
+ ATOM 95 C PTH 1 97.41 73.72 39.47 0.00 0.00
96
+ ATOM 96 C PTH 1 97.41 73.72 40.47 0.00 0.00
97
+ ATOM 97 C PTH 1 97.41 74.72 37.47 0.00 0.00
98
+ ATOM 98 C PTH 1 97.41 74.72 38.47 0.00 0.00
99
+ ATOM 99 C PTH 1 97.41 74.72 39.47 0.00 0.00
100
+ ATOM 100 C PTH 1 97.41 74.72 40.47 0.00 0.00
101
+ ATOM 101 C PTH 1 97.41 75.72 37.47 0.00 0.00
102
+ ATOM 102 C PTH 1 97.41 75.72 38.47 0.00 0.00
103
+ ATOM 103 C PTH 1 97.41 75.72 39.47 0.00 0.00
104
+ ATOM 104 C PTH 1 97.41 75.72 40.47 0.00 0.00
105
+ ATOM 105 C PTH 1 97.41 76.72 34.47 0.00 0.00
106
+ ATOM 106 C PTH 1 97.41 76.72 35.47 0.00 0.00
107
+ ATOM 107 C PTH 1 97.41 76.72 36.47 0.00 0.00
108
+ ATOM 108 C PTH 1 97.41 76.72 37.47 0.00 0.00
109
+ ATOM 109 C PTH 1 97.41 76.72 38.47 0.00 0.00
110
+ ATOM 110 C PTH 1 97.41 76.72 39.47 0.00 0.00
111
+ ATOM 111 C PTH 1 97.41 76.72 40.47 0.00 0.00
112
+ ATOM 112 C PTH 1 97.41 77.72 34.47 0.00 0.00
113
+ ATOM 113 C PTH 1 97.41 77.72 35.47 0.00 0.00
114
+ ATOM 114 C PTH 1 97.41 77.72 36.47 0.00 0.00
115
+ ATOM 115 C PTH 1 97.41 77.72 37.47 0.00 0.00
116
+ ATOM 116 C PTH 1 97.41 77.72 38.47 0.00 0.00
117
+ ATOM 117 C PTH 1 97.41 77.72 39.47 0.00 0.00
118
+ ATOM 118 C PTH 1 97.41 77.72 40.47 0.00 0.00
119
+ ATOM 119 C PTH 1 97.41 78.72 34.47 0.00 0.00
120
+ ATOM 120 C PTH 1 97.41 78.72 35.47 0.00 0.00
121
+ ATOM 121 C PTH 1 97.41 78.72 36.47 0.00 0.00
122
+ ATOM 122 C PTH 1 97.41 78.72 37.47 0.00 0.00
123
+ ATOM 123 C PTH 1 97.41 78.72 38.47 0.00 0.00
124
+ ATOM 124 C PTH 1 97.41 78.72 39.47 0.00 0.00
125
+ ATOM 125 C PTH 1 97.41 78.72 40.47 0.00 0.00
126
+ ATOM 126 C PTH 1 97.41 79.72 35.47 0.00 0.00
127
+ ATOM 127 C PTH 1 97.41 79.72 36.47 0.00 0.00
128
+ ATOM 128 C PTH 1 97.41 79.72 37.47 0.00 0.00
129
+ ATOM 129 C PTH 1 97.41 79.72 38.47 0.00 0.00
130
+ ATOM 130 C PTH 1 97.41 79.72 39.47 0.00 0.00
131
+ ATOM 131 C PTH 1 97.41 79.72 40.47 0.00 0.00
132
+ ATOM 132 C PTH 1 98.41 74.72 37.47 0.00 0.00
133
+ ATOM 133 C PTH 1 98.41 74.72 38.47 0.00 0.00
134
+ ATOM 134 C PTH 1 98.41 74.72 39.47 0.00 0.00
135
+ ATOM 135 C PTH 1 98.41 74.72 40.47 0.00 0.00
136
+ ATOM 136 C PTH 1 98.41 75.72 37.47 0.00 0.00
137
+ ATOM 137 C PTH 1 98.41 75.72 38.47 0.00 0.00
138
+ ATOM 138 C PTH 1 98.41 75.72 39.47 0.00 0.00
139
+ ATOM 139 C PTH 1 98.41 75.72 40.47 0.00 0.00
140
+ ATOM 140 C PTH 1 98.41 76.72 35.47 0.00 0.00
141
+ ATOM 141 C PTH 1 98.41 76.72 36.47 0.00 0.00
142
+ ATOM 142 C PTH 1 98.41 76.72 37.47 0.00 0.00
143
+ ATOM 143 C PTH 1 98.41 76.72 38.47 0.00 0.00
144
+ ATOM 144 C PTH 1 98.41 76.72 39.47 0.00 0.00
145
+ ATOM 145 C PTH 1 98.41 76.72 40.47 0.00 0.00
146
+ ATOM 146 C PTH 1 98.41 77.72 34.47 0.00 0.00
147
+ ATOM 147 C PTH 1 98.41 77.72 35.47 0.00 0.00
148
+ ATOM 148 C PTH 1 98.41 77.72 36.47 0.00 0.00
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
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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
+ ATOM 171 C PTH 1 99.41 77.72 35.47 0.00 0.00
172
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173
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174
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175
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176
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177
+ ATOM 177 C PTH 1 99.41 78.72 36.47 0.00 0.00
178
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179
+ ATOM 179 C PTH 1 99.41 78.72 38.47 0.00 0.00
180
+ ATOM 180 C PTH 1 99.41 78.72 39.47 0.00 0.00
181
+ ATOM 181 C PTH 1 99.41 79.72 36.47 0.00 0.00
182
+ ATOM 182 C PTH 1 99.41 79.72 37.47 0.00 0.00
183
+ ATOM 183 C PTH 1 99.41 79.72 38.47 0.00 0.00
184
+ ATOM 184 C PTH 1 100.41 77.72 37.47 0.00 0.00
185
+ ATOM 185 C PTH 1 100.41 78.72 37.47 0.00 0.00
data/files/A000W/pocket_09.pdb ADDED
@@ -0,0 +1,92 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 87.41 88.72 45.47 0.00 0.00
2
+ ATOM 2 C PTH 1 87.41 89.72 45.47 0.00 0.00
3
+ ATOM 3 C PTH 1 87.41 89.72 46.47 0.00 0.00
4
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7
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9
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14
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16
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17
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18
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19
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21
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22
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23
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24
+ ATOM 24 C PTH 1 88.41 92.72 48.47 0.00 0.00
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26
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32
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33
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34
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35
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36
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37
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41
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48
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50
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60
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61
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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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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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86
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87
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88
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89
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90
+ ATOM 90 C PTH 1 92.41 91.72 47.47 0.00 0.00
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+ ATOM 91 C PTH 1 92.41 91.72 48.47 0.00 0.00
92
+ ATOM 92 C PTH 1 92.41 91.72 49.47 0.00 0.00
data/files/A000W/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A0019/pocket_01.pdb ADDED
@@ -0,0 +1,232 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 63.67 72.56 40.38 0.00 0.00
2
+ ATOM 2 C PTH 1 63.67 72.56 41.38 0.00 0.00
3
+ ATOM 3 C PTH 1 63.67 72.56 42.38 0.00 0.00
4
+ ATOM 4 C PTH 1 63.67 73.56 40.38 0.00 0.00
5
+ ATOM 5 C PTH 1 63.67 73.56 41.38 0.00 0.00
6
+ ATOM 6 C PTH 1 63.67 73.56 42.38 0.00 0.00
7
+ ATOM 7 C PTH 1 63.67 74.56 40.38 0.00 0.00
8
+ ATOM 8 C PTH 1 63.67 74.56 41.38 0.00 0.00
9
+ ATOM 9 C PTH 1 63.67 74.56 42.38 0.00 0.00
10
+ ATOM 10 C PTH 1 64.67 73.56 40.38 0.00 0.00
11
+ ATOM 11 C PTH 1 64.67 73.56 41.38 0.00 0.00
12
+ ATOM 12 C PTH 1 64.67 73.56 42.38 0.00 0.00
13
+ ATOM 13 C PTH 1 64.67 74.56 40.38 0.00 0.00
14
+ ATOM 14 C PTH 1 64.67 74.56 41.38 0.00 0.00
15
+ ATOM 15 C PTH 1 64.67 74.56 42.38 0.00 0.00
16
+ ATOM 16 C PTH 1 64.67 75.56 40.38 0.00 0.00
17
+ ATOM 17 C PTH 1 64.67 75.56 41.38 0.00 0.00
18
+ ATOM 18 C PTH 1 64.67 75.56 42.38 0.00 0.00
19
+ ATOM 19 C PTH 1 64.67 75.56 43.38 0.00 0.00
20
+ ATOM 20 C PTH 1 64.67 76.56 40.38 0.00 0.00
21
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22
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23
+ ATOM 23 C PTH 1 65.67 73.56 40.38 0.00 0.00
24
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25
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30
+ ATOM 30 C PTH 1 65.67 75.56 40.38 0.00 0.00
31
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36
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37
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38
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39
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41
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42
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43
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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
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67
+ ATOM 67 C PTH 1 67.67 74.56 43.38 0.00 0.00
68
+ ATOM 68 C PTH 1 67.67 75.56 38.38 0.00 0.00
69
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70
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71
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72
+ ATOM 72 C PTH 1 67.67 75.56 42.38 0.00 0.00
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
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94
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95
+ ATOM 95 C PTH 1 68.67 74.56 39.38 0.00 0.00
96
+ ATOM 96 C PTH 1 68.67 74.56 40.38 0.00 0.00
97
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98
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99
+ ATOM 99 C PTH 1 68.67 74.56 43.38 0.00 0.00
100
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101
+ ATOM 101 C PTH 1 68.67 75.56 39.38 0.00 0.00
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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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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117
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118
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119
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122
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123
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126
+ ATOM 126 C PTH 1 69.67 73.56 40.38 0.00 0.00
127
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128
+ ATOM 128 C PTH 1 69.67 73.56 42.38 0.00 0.00
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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135
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136
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137
+ ATOM 137 C PTH 1 69.67 75.56 39.38 0.00 0.00
138
+ ATOM 138 C PTH 1 69.67 75.56 40.38 0.00 0.00
139
+ ATOM 139 C PTH 1 69.67 75.56 41.38 0.00 0.00
140
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141
+ ATOM 141 C PTH 1 69.67 75.56 43.38 0.00 0.00
142
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143
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144
+ ATOM 144 C PTH 1 69.67 76.56 39.38 0.00 0.00
145
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146
+ ATOM 146 C PTH 1 69.67 76.56 41.38 0.00 0.00
147
+ ATOM 147 C PTH 1 69.67 76.56 42.38 0.00 0.00
148
+ ATOM 148 C PTH 1 69.67 76.56 43.38 0.00 0.00
149
+ ATOM 149 C PTH 1 69.67 77.56 37.38 0.00 0.00
150
+ ATOM 150 C PTH 1 69.67 77.56 38.38 0.00 0.00
151
+ ATOM 151 C PTH 1 69.67 77.56 39.38 0.00 0.00
152
+ ATOM 152 C PTH 1 69.67 77.56 40.38 0.00 0.00
153
+ ATOM 153 C PTH 1 69.67 77.56 41.38 0.00 0.00
154
+ ATOM 154 C PTH 1 69.67 77.56 42.38 0.00 0.00
155
+ ATOM 155 C PTH 1 69.67 77.56 43.38 0.00 0.00
156
+ ATOM 156 C PTH 1 69.67 78.56 41.38 0.00 0.00
157
+ ATOM 157 C PTH 1 70.67 72.56 41.38 0.00 0.00
158
+ ATOM 158 C PTH 1 70.67 72.56 42.38 0.00 0.00
159
+ ATOM 159 C PTH 1 70.67 72.56 43.38 0.00 0.00
160
+ ATOM 160 C PTH 1 70.67 73.56 40.38 0.00 0.00
161
+ ATOM 161 C PTH 1 70.67 73.56 41.38 0.00 0.00
162
+ ATOM 162 C PTH 1 70.67 73.56 42.38 0.00 0.00
163
+ ATOM 163 C PTH 1 70.67 73.56 43.38 0.00 0.00
164
+ ATOM 164 C PTH 1 70.67 74.56 38.38 0.00 0.00
165
+ ATOM 165 C PTH 1 70.67 74.56 39.38 0.00 0.00
166
+ ATOM 166 C PTH 1 70.67 74.56 40.38 0.00 0.00
167
+ ATOM 167 C PTH 1 70.67 74.56 41.38 0.00 0.00
168
+ ATOM 168 C PTH 1 70.67 74.56 42.38 0.00 0.00
169
+ ATOM 169 C PTH 1 70.67 74.56 43.38 0.00 0.00
170
+ ATOM 170 C PTH 1 70.67 75.56 38.38 0.00 0.00
171
+ ATOM 171 C PTH 1 70.67 75.56 39.38 0.00 0.00
172
+ ATOM 172 C PTH 1 70.67 75.56 40.38 0.00 0.00
173
+ ATOM 173 C PTH 1 70.67 75.56 41.38 0.00 0.00
174
+ ATOM 174 C PTH 1 70.67 75.56 42.38 0.00 0.00
175
+ ATOM 175 C PTH 1 70.67 75.56 43.38 0.00 0.00
176
+ ATOM 176 C PTH 1 70.67 76.56 38.38 0.00 0.00
177
+ ATOM 177 C PTH 1 70.67 76.56 39.38 0.00 0.00
178
+ ATOM 178 C PTH 1 70.67 76.56 40.38 0.00 0.00
179
+ ATOM 179 C PTH 1 70.67 76.56 41.38 0.00 0.00
180
+ ATOM 180 C PTH 1 70.67 76.56 42.38 0.00 0.00
181
+ ATOM 181 C PTH 1 70.67 76.56 43.38 0.00 0.00
182
+ ATOM 182 C PTH 1 70.67 77.56 38.38 0.00 0.00
183
+ ATOM 183 C PTH 1 70.67 77.56 39.38 0.00 0.00
184
+ ATOM 184 C PTH 1 70.67 77.56 40.38 0.00 0.00
185
+ ATOM 185 C PTH 1 70.67 77.56 41.38 0.00 0.00
186
+ ATOM 186 C PTH 1 70.67 77.56 42.38 0.00 0.00
187
+ ATOM 187 C PTH 1 71.67 73.56 40.38 0.00 0.00
188
+ ATOM 188 C PTH 1 71.67 73.56 41.38 0.00 0.00
189
+ ATOM 189 C PTH 1 71.67 73.56 42.38 0.00 0.00
190
+ ATOM 190 C PTH 1 71.67 74.56 39.38 0.00 0.00
191
+ ATOM 191 C PTH 1 71.67 74.56 40.38 0.00 0.00
192
+ ATOM 192 C PTH 1 71.67 74.56 41.38 0.00 0.00
193
+ ATOM 193 C PTH 1 71.67 74.56 42.38 0.00 0.00
194
+ ATOM 194 C PTH 1 71.67 74.56 43.38 0.00 0.00
195
+ ATOM 195 C PTH 1 71.67 75.56 39.38 0.00 0.00
196
+ ATOM 196 C PTH 1 71.67 75.56 40.38 0.00 0.00
197
+ ATOM 197 C PTH 1 71.67 75.56 41.38 0.00 0.00
198
+ ATOM 198 C PTH 1 71.67 75.56 42.38 0.00 0.00
199
+ ATOM 199 C PTH 1 71.67 75.56 43.38 0.00 0.00
200
+ ATOM 200 C PTH 1 71.67 76.56 39.38 0.00 0.00
201
+ ATOM 201 C PTH 1 71.67 76.56 40.38 0.00 0.00
202
+ ATOM 202 C PTH 1 71.67 76.56 41.38 0.00 0.00
203
+ ATOM 203 C PTH 1 71.67 76.56 42.38 0.00 0.00
204
+ ATOM 204 C PTH 1 71.67 76.56 43.38 0.00 0.00
205
+ ATOM 205 C PTH 1 71.67 77.56 41.38 0.00 0.00
206
+ ATOM 206 C PTH 1 72.67 74.56 40.38 0.00 0.00
207
+ ATOM 207 C PTH 1 72.67 74.56 41.38 0.00 0.00
208
+ ATOM 208 C PTH 1 72.67 74.56 42.38 0.00 0.00
209
+ ATOM 209 C PTH 1 72.67 74.56 43.38 0.00 0.00
210
+ ATOM 210 C PTH 1 72.67 75.56 39.38 0.00 0.00
211
+ ATOM 211 C PTH 1 72.67 75.56 40.38 0.00 0.00
212
+ ATOM 212 C PTH 1 72.67 75.56 41.38 0.00 0.00
213
+ ATOM 213 C PTH 1 72.67 75.56 42.38 0.00 0.00
214
+ ATOM 214 C PTH 1 72.67 75.56 43.38 0.00 0.00
215
+ ATOM 215 C PTH 1 72.67 76.56 40.38 0.00 0.00
216
+ ATOM 216 C PTH 1 72.67 76.56 41.38 0.00 0.00
217
+ ATOM 217 C PTH 1 72.67 76.56 42.38 0.00 0.00
218
+ ATOM 218 C PTH 1 72.67 76.56 43.38 0.00 0.00
219
+ ATOM 219 C PTH 1 72.67 77.56 41.38 0.00 0.00
220
+ ATOM 220 C PTH 1 72.67 77.56 42.38 0.00 0.00
221
+ ATOM 221 C PTH 1 73.67 74.56 41.38 0.00 0.00
222
+ ATOM 222 C PTH 1 73.67 74.56 42.38 0.00 0.00
223
+ ATOM 223 C PTH 1 73.67 75.56 40.38 0.00 0.00
224
+ ATOM 224 C PTH 1 73.67 75.56 41.38 0.00 0.00
225
+ ATOM 225 C PTH 1 73.67 75.56 42.38 0.00 0.00
226
+ ATOM 226 C PTH 1 73.67 75.56 43.38 0.00 0.00
227
+ ATOM 227 C PTH 1 73.67 76.56 40.38 0.00 0.00
228
+ ATOM 228 C PTH 1 73.67 76.56 41.38 0.00 0.00
229
+ ATOM 229 C PTH 1 73.67 76.56 42.38 0.00 0.00
230
+ ATOM 230 C PTH 1 73.67 76.56 43.38 0.00 0.00
231
+ ATOM 231 C PTH 1 73.67 77.56 42.38 0.00 0.00
232
+ ATOM 232 C PTH 1 73.67 77.56 43.38 0.00 0.00
data/files/A0019/pocket_02.pdb ADDED
@@ -0,0 +1,196 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 103.67 80.56 48.38 0.00 0.00
2
+ ATOM 2 C PTH 1 103.67 80.56 49.38 0.00 0.00
3
+ ATOM 3 C PTH 1 103.67 80.56 50.38 0.00 0.00
4
+ ATOM 4 C PTH 1 103.67 81.56 47.38 0.00 0.00
5
+ ATOM 5 C PTH 1 103.67 81.56 48.38 0.00 0.00
6
+ ATOM 6 C PTH 1 103.67 81.56 49.38 0.00 0.00
7
+ ATOM 7 C PTH 1 103.67 81.56 50.38 0.00 0.00
8
+ ATOM 8 C PTH 1 103.67 81.56 51.38 0.00 0.00
9
+ ATOM 9 C PTH 1 103.67 82.56 47.38 0.00 0.00
10
+ ATOM 10 C PTH 1 103.67 82.56 48.38 0.00 0.00
11
+ ATOM 11 C PTH 1 103.67 82.56 49.38 0.00 0.00
12
+ ATOM 12 C PTH 1 103.67 82.56 50.38 0.00 0.00
13
+ ATOM 13 C PTH 1 103.67 83.56 46.38 0.00 0.00
14
+ ATOM 14 C PTH 1 103.67 83.56 47.38 0.00 0.00
15
+ ATOM 15 C PTH 1 103.67 83.56 48.38 0.00 0.00
16
+ ATOM 16 C PTH 1 103.67 83.56 49.38 0.00 0.00
17
+ ATOM 17 C PTH 1 103.67 84.56 46.38 0.00 0.00
18
+ ATOM 18 C PTH 1 103.67 84.56 47.38 0.00 0.00
19
+ ATOM 19 C PTH 1 103.67 84.56 48.38 0.00 0.00
20
+ ATOM 20 C PTH 1 104.67 79.56 48.38 0.00 0.00
21
+ ATOM 21 C PTH 1 104.67 79.56 49.38 0.00 0.00
22
+ ATOM 22 C PTH 1 104.67 80.56 46.38 0.00 0.00
23
+ ATOM 23 C PTH 1 104.67 80.56 47.38 0.00 0.00
24
+ ATOM 24 C PTH 1 104.67 80.56 48.38 0.00 0.00
25
+ ATOM 25 C PTH 1 104.67 80.56 49.38 0.00 0.00
26
+ ATOM 26 C PTH 1 104.67 80.56 50.38 0.00 0.00
27
+ ATOM 27 C PTH 1 104.67 81.56 46.38 0.00 0.00
28
+ ATOM 28 C PTH 1 104.67 81.56 47.38 0.00 0.00
29
+ ATOM 29 C PTH 1 104.67 81.56 48.38 0.00 0.00
30
+ ATOM 30 C PTH 1 104.67 81.56 49.38 0.00 0.00
31
+ ATOM 31 C PTH 1 104.67 81.56 50.38 0.00 0.00
32
+ ATOM 32 C PTH 1 104.67 81.56 51.38 0.00 0.00
33
+ ATOM 33 C PTH 1 104.67 82.56 46.38 0.00 0.00
34
+ ATOM 34 C PTH 1 104.67 82.56 47.38 0.00 0.00
35
+ ATOM 35 C PTH 1 104.67 82.56 48.38 0.00 0.00
36
+ ATOM 36 C PTH 1 104.67 82.56 49.38 0.00 0.00
37
+ ATOM 37 C PTH 1 104.67 82.56 50.38 0.00 0.00
38
+ ATOM 38 C PTH 1 104.67 83.56 46.38 0.00 0.00
39
+ ATOM 39 C PTH 1 104.67 83.56 47.38 0.00 0.00
40
+ ATOM 40 C PTH 1 104.67 83.56 48.38 0.00 0.00
41
+ ATOM 41 C PTH 1 104.67 83.56 49.38 0.00 0.00
42
+ ATOM 42 C PTH 1 104.67 83.56 50.38 0.00 0.00
43
+ ATOM 43 C PTH 1 104.67 84.56 46.38 0.00 0.00
44
+ ATOM 44 C PTH 1 104.67 84.56 47.38 0.00 0.00
45
+ ATOM 45 C PTH 1 104.67 84.56 48.38 0.00 0.00
46
+ ATOM 46 C PTH 1 104.67 84.56 49.38 0.00 0.00
47
+ ATOM 47 C PTH 1 105.67 78.56 48.38 0.00 0.00
48
+ ATOM 48 C PTH 1 105.67 78.56 49.38 0.00 0.00
49
+ ATOM 49 C PTH 1 105.67 79.56 46.38 0.00 0.00
50
+ ATOM 50 C PTH 1 105.67 79.56 47.38 0.00 0.00
51
+ ATOM 51 C PTH 1 105.67 79.56 48.38 0.00 0.00
52
+ ATOM 52 C PTH 1 105.67 79.56 49.38 0.00 0.00
53
+ ATOM 53 C PTH 1 105.67 79.56 50.38 0.00 0.00
54
+ ATOM 54 C PTH 1 105.67 80.56 46.38 0.00 0.00
55
+ ATOM 55 C PTH 1 105.67 80.56 47.38 0.00 0.00
56
+ ATOM 56 C PTH 1 105.67 80.56 48.38 0.00 0.00
57
+ ATOM 57 C PTH 1 105.67 80.56 49.38 0.00 0.00
58
+ ATOM 58 C PTH 1 105.67 80.56 50.38 0.00 0.00
59
+ ATOM 59 C PTH 1 105.67 80.56 51.38 0.00 0.00
60
+ ATOM 60 C PTH 1 105.67 81.56 46.38 0.00 0.00
61
+ ATOM 61 C PTH 1 105.67 81.56 47.38 0.00 0.00
62
+ ATOM 62 C PTH 1 105.67 81.56 48.38 0.00 0.00
63
+ ATOM 63 C PTH 1 105.67 81.56 49.38 0.00 0.00
64
+ ATOM 64 C PTH 1 105.67 81.56 50.38 0.00 0.00
65
+ ATOM 65 C PTH 1 105.67 81.56 51.38 0.00 0.00
66
+ ATOM 66 C PTH 1 105.67 82.56 46.38 0.00 0.00
67
+ ATOM 67 C PTH 1 105.67 82.56 47.38 0.00 0.00
68
+ ATOM 68 C PTH 1 105.67 82.56 48.38 0.00 0.00
69
+ ATOM 69 C PTH 1 105.67 82.56 49.38 0.00 0.00
70
+ ATOM 70 C PTH 1 105.67 82.56 50.38 0.00 0.00
71
+ ATOM 71 C PTH 1 105.67 82.56 51.38 0.00 0.00
72
+ ATOM 72 C PTH 1 105.67 83.56 46.38 0.00 0.00
73
+ ATOM 73 C PTH 1 105.67 83.56 47.38 0.00 0.00
74
+ ATOM 74 C PTH 1 105.67 83.56 48.38 0.00 0.00
75
+ ATOM 75 C PTH 1 105.67 83.56 49.38 0.00 0.00
76
+ ATOM 76 C PTH 1 105.67 83.56 50.38 0.00 0.00
77
+ ATOM 77 C PTH 1 105.67 84.56 46.38 0.00 0.00
78
+ ATOM 78 C PTH 1 105.67 84.56 47.38 0.00 0.00
79
+ ATOM 79 C PTH 1 105.67 84.56 48.38 0.00 0.00
80
+ ATOM 80 C PTH 1 105.67 84.56 49.38 0.00 0.00
81
+ ATOM 81 C PTH 1 106.67 77.56 49.38 0.00 0.00
82
+ ATOM 82 C PTH 1 106.67 78.56 47.38 0.00 0.00
83
+ ATOM 83 C PTH 1 106.67 78.56 48.38 0.00 0.00
84
+ ATOM 84 C PTH 1 106.67 78.56 49.38 0.00 0.00
85
+ ATOM 85 C PTH 1 106.67 78.56 50.38 0.00 0.00
86
+ ATOM 86 C PTH 1 106.67 79.56 46.38 0.00 0.00
87
+ ATOM 87 C PTH 1 106.67 79.56 47.38 0.00 0.00
88
+ ATOM 88 C PTH 1 106.67 79.56 48.38 0.00 0.00
89
+ ATOM 89 C PTH 1 106.67 79.56 49.38 0.00 0.00
90
+ ATOM 90 C PTH 1 106.67 79.56 50.38 0.00 0.00
91
+ ATOM 91 C PTH 1 106.67 79.56 51.38 0.00 0.00
92
+ ATOM 92 C PTH 1 106.67 80.56 46.38 0.00 0.00
93
+ ATOM 93 C PTH 1 106.67 80.56 47.38 0.00 0.00
94
+ ATOM 94 C PTH 1 106.67 80.56 48.38 0.00 0.00
95
+ ATOM 95 C PTH 1 106.67 80.56 49.38 0.00 0.00
96
+ ATOM 96 C PTH 1 106.67 80.56 50.38 0.00 0.00
97
+ ATOM 97 C PTH 1 106.67 81.56 46.38 0.00 0.00
98
+ ATOM 98 C PTH 1 106.67 81.56 47.38 0.00 0.00
99
+ ATOM 99 C PTH 1 106.67 81.56 48.38 0.00 0.00
100
+ ATOM 100 C PTH 1 106.67 81.56 49.38 0.00 0.00
101
+ ATOM 101 C PTH 1 106.67 81.56 50.38 0.00 0.00
102
+ ATOM 102 C PTH 1 106.67 81.56 51.38 0.00 0.00
103
+ ATOM 103 C PTH 1 106.67 82.56 46.38 0.00 0.00
104
+ ATOM 104 C PTH 1 106.67 82.56 47.38 0.00 0.00
105
+ ATOM 105 C PTH 1 106.67 82.56 48.38 0.00 0.00
106
+ ATOM 106 C PTH 1 106.67 82.56 49.38 0.00 0.00
107
+ ATOM 107 C PTH 1 106.67 82.56 50.38 0.00 0.00
108
+ ATOM 108 C PTH 1 106.67 82.56 51.38 0.00 0.00
109
+ ATOM 109 C PTH 1 106.67 83.56 46.38 0.00 0.00
110
+ ATOM 110 C PTH 1 106.67 83.56 47.38 0.00 0.00
111
+ ATOM 111 C PTH 1 106.67 83.56 48.38 0.00 0.00
112
+ ATOM 112 C PTH 1 106.67 83.56 49.38 0.00 0.00
113
+ ATOM 113 C PTH 1 106.67 83.56 50.38 0.00 0.00
114
+ ATOM 114 C PTH 1 106.67 84.56 46.38 0.00 0.00
115
+ ATOM 115 C PTH 1 106.67 84.56 47.38 0.00 0.00
116
+ ATOM 116 C PTH 1 106.67 84.56 48.38 0.00 0.00
117
+ ATOM 117 C PTH 1 106.67 84.56 49.38 0.00 0.00
118
+ ATOM 118 C PTH 1 107.67 77.56 48.38 0.00 0.00
119
+ ATOM 119 C PTH 1 107.67 77.56 49.38 0.00 0.00
120
+ ATOM 120 C PTH 1 107.67 78.56 47.38 0.00 0.00
121
+ ATOM 121 C PTH 1 107.67 78.56 48.38 0.00 0.00
122
+ ATOM 122 C PTH 1 107.67 78.56 49.38 0.00 0.00
123
+ ATOM 123 C PTH 1 107.67 78.56 50.38 0.00 0.00
124
+ ATOM 124 C PTH 1 107.67 79.56 46.38 0.00 0.00
125
+ ATOM 125 C PTH 1 107.67 79.56 47.38 0.00 0.00
126
+ ATOM 126 C PTH 1 107.67 79.56 48.38 0.00 0.00
127
+ ATOM 127 C PTH 1 107.67 79.56 49.38 0.00 0.00
128
+ ATOM 128 C PTH 1 107.67 79.56 50.38 0.00 0.00
129
+ ATOM 129 C PTH 1 107.67 79.56 51.38 0.00 0.00
130
+ ATOM 130 C PTH 1 107.67 80.56 46.38 0.00 0.00
131
+ ATOM 131 C PTH 1 107.67 80.56 47.38 0.00 0.00
132
+ ATOM 132 C PTH 1 107.67 80.56 48.38 0.00 0.00
133
+ ATOM 133 C PTH 1 107.67 80.56 49.38 0.00 0.00
134
+ ATOM 134 C PTH 1 107.67 80.56 50.38 0.00 0.00
135
+ ATOM 135 C PTH 1 107.67 81.56 46.38 0.00 0.00
136
+ ATOM 136 C PTH 1 107.67 81.56 47.38 0.00 0.00
137
+ ATOM 137 C PTH 1 107.67 81.56 48.38 0.00 0.00
138
+ ATOM 138 C PTH 1 107.67 81.56 49.38 0.00 0.00
139
+ ATOM 139 C PTH 1 107.67 81.56 50.38 0.00 0.00
140
+ ATOM 140 C PTH 1 107.67 82.56 47.38 0.00 0.00
141
+ ATOM 141 C PTH 1 107.67 82.56 48.38 0.00 0.00
142
+ ATOM 142 C PTH 1 107.67 82.56 49.38 0.00 0.00
143
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144
+ ATOM 144 C PTH 1 107.67 83.56 49.38 0.00 0.00
145
+ ATOM 145 C PTH 1 107.67 83.56 50.38 0.00 0.00
146
+ ATOM 146 C PTH 1 108.67 77.56 48.38 0.00 0.00
147
+ ATOM 147 C PTH 1 108.67 77.56 49.38 0.00 0.00
148
+ ATOM 148 C PTH 1 108.67 78.56 47.38 0.00 0.00
149
+ ATOM 149 C PTH 1 108.67 78.56 48.38 0.00 0.00
150
+ ATOM 150 C PTH 1 108.67 78.56 49.38 0.00 0.00
151
+ ATOM 151 C PTH 1 108.67 78.56 50.38 0.00 0.00
152
+ ATOM 152 C PTH 1 108.67 79.56 46.38 0.00 0.00
153
+ ATOM 153 C PTH 1 108.67 79.56 47.38 0.00 0.00
154
+ ATOM 154 C PTH 1 108.67 79.56 48.38 0.00 0.00
155
+ ATOM 155 C PTH 1 108.67 79.56 49.38 0.00 0.00
156
+ ATOM 156 C PTH 1 108.67 79.56 50.38 0.00 0.00
157
+ ATOM 157 C PTH 1 108.67 80.56 46.38 0.00 0.00
158
+ ATOM 158 C PTH 1 108.67 80.56 47.38 0.00 0.00
159
+ ATOM 159 C PTH 1 108.67 80.56 48.38 0.00 0.00
160
+ ATOM 160 C PTH 1 108.67 80.56 49.38 0.00 0.00
161
+ ATOM 161 C PTH 1 108.67 80.56 50.38 0.00 0.00
162
+ ATOM 162 C PTH 1 108.67 81.56 47.38 0.00 0.00
163
+ ATOM 163 C PTH 1 108.67 81.56 48.38 0.00 0.00
164
+ ATOM 164 C PTH 1 108.67 81.56 49.38 0.00 0.00
165
+ ATOM 165 C PTH 1 108.67 81.56 50.38 0.00 0.00
166
+ ATOM 166 C PTH 1 109.67 77.56 48.38 0.00 0.00
167
+ ATOM 167 C PTH 1 109.67 77.56 49.38 0.00 0.00
168
+ ATOM 168 C PTH 1 109.67 78.56 47.38 0.00 0.00
169
+ ATOM 169 C PTH 1 109.67 78.56 48.38 0.00 0.00
170
+ ATOM 170 C PTH 1 109.67 78.56 49.38 0.00 0.00
171
+ ATOM 171 C PTH 1 109.67 78.56 50.38 0.00 0.00
172
+ ATOM 172 C PTH 1 109.67 79.56 47.38 0.00 0.00
173
+ ATOM 173 C PTH 1 109.67 79.56 48.38 0.00 0.00
174
+ ATOM 174 C PTH 1 109.67 79.56 49.38 0.00 0.00
175
+ ATOM 175 C PTH 1 109.67 79.56 50.38 0.00 0.00
176
+ ATOM 176 C PTH 1 109.67 80.56 47.38 0.00 0.00
177
+ ATOM 177 C PTH 1 109.67 80.56 48.38 0.00 0.00
178
+ ATOM 178 C PTH 1 109.67 80.56 49.38 0.00 0.00
179
+ ATOM 179 C PTH 1 109.67 80.56 50.38 0.00 0.00
180
+ ATOM 180 C PTH 1 109.67 81.56 48.38 0.00 0.00
181
+ ATOM 181 C PTH 1 109.67 81.56 49.38 0.00 0.00
182
+ ATOM 182 C PTH 1 110.67 78.56 47.38 0.00 0.00
183
+ ATOM 183 C PTH 1 110.67 78.56 48.38 0.00 0.00
184
+ ATOM 184 C PTH 1 110.67 78.56 49.38 0.00 0.00
185
+ ATOM 185 C PTH 1 110.67 78.56 50.38 0.00 0.00
186
+ ATOM 186 C PTH 1 110.67 79.56 46.38 0.00 0.00
187
+ ATOM 187 C PTH 1 110.67 79.56 47.38 0.00 0.00
188
+ ATOM 188 C PTH 1 110.67 79.56 48.38 0.00 0.00
189
+ ATOM 189 C PTH 1 110.67 79.56 49.38 0.00 0.00
190
+ ATOM 190 C PTH 1 110.67 79.56 50.38 0.00 0.00
191
+ ATOM 191 C PTH 1 110.67 80.56 47.38 0.00 0.00
192
+ ATOM 192 C PTH 1 110.67 80.56 48.38 0.00 0.00
193
+ ATOM 193 C PTH 1 110.67 80.56 49.38 0.00 0.00
194
+ ATOM 194 C PTH 1 111.67 78.56 47.38 0.00 0.00
195
+ ATOM 195 C PTH 1 111.67 79.56 47.38 0.00 0.00
196
+ ATOM 196 C PTH 1 111.67 79.56 48.38 0.00 0.00
data/files/A0019/pocket_03.pdb ADDED
@@ -0,0 +1,106 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 98.67 68.56 36.38 0.00 0.00
2
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3
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+ ATOM 106 C PTH 1 103.67 70.56 40.38 0.00 0.00
data/files/A001C/pocket_01.pdb ADDED
@@ -0,0 +1,225 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 67.89 -1.97 21.76 0.00 0.00
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170
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171
+ ATOM 171 C PTH 1 71.89 2.03 29.76 0.00 0.00
172
+ ATOM 172 C PTH 1 71.89 2.03 30.76 0.00 0.00
173
+ ATOM 173 C PTH 1 71.89 2.03 31.76 0.00 0.00
174
+ ATOM 174 C PTH 1 71.89 3.03 25.76 0.00 0.00
175
+ ATOM 175 C PTH 1 71.89 3.03 26.76 0.00 0.00
176
+ ATOM 176 C PTH 1 71.89 3.03 27.76 0.00 0.00
177
+ ATOM 177 C PTH 1 71.89 3.03 28.76 0.00 0.00
178
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179
+ ATOM 179 C PTH 1 71.89 3.03 30.76 0.00 0.00
180
+ ATOM 180 C PTH 1 72.89 -1.97 24.76 0.00 0.00
181
+ ATOM 181 C PTH 1 72.89 -0.97 24.76 0.00 0.00
182
+ ATOM 182 C PTH 1 72.89 -0.97 25.76 0.00 0.00
183
+ ATOM 183 C PTH 1 72.89 -0.97 26.76 0.00 0.00
184
+ ATOM 184 C PTH 1 72.89 0.03 25.76 0.00 0.00
185
+ ATOM 185 C PTH 1 72.89 0.03 26.76 0.00 0.00
186
+ ATOM 186 C PTH 1 72.89 0.03 27.76 0.00 0.00
187
+ ATOM 187 C PTH 1 72.89 0.03 28.76 0.00 0.00
188
+ ATOM 188 C PTH 1 72.89 0.03 29.76 0.00 0.00
189
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190
+ ATOM 190 C PTH 1 72.89 1.03 25.76 0.00 0.00
191
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192
+ ATOM 192 C PTH 1 72.89 1.03 27.76 0.00 0.00
193
+ ATOM 193 C PTH 1 72.89 1.03 28.76 0.00 0.00
194
+ ATOM 194 C PTH 1 72.89 1.03 29.76 0.00 0.00
195
+ ATOM 195 C PTH 1 72.89 1.03 30.76 0.00 0.00
196
+ ATOM 196 C PTH 1 72.89 1.03 31.76 0.00 0.00
197
+ ATOM 197 C PTH 1 72.89 2.03 26.76 0.00 0.00
198
+ ATOM 198 C PTH 1 72.89 2.03 27.76 0.00 0.00
199
+ ATOM 199 C PTH 1 72.89 2.03 28.76 0.00 0.00
200
+ ATOM 200 C PTH 1 72.89 2.03 29.76 0.00 0.00
201
+ ATOM 201 C PTH 1 72.89 2.03 30.76 0.00 0.00
202
+ ATOM 202 C PTH 1 73.89 -0.97 29.76 0.00 0.00
203
+ ATOM 203 C PTH 1 73.89 0.03 27.76 0.00 0.00
204
+ ATOM 204 C PTH 1 73.89 0.03 28.76 0.00 0.00
205
+ ATOM 205 C PTH 1 73.89 0.03 29.76 0.00 0.00
206
+ ATOM 206 C PTH 1 73.89 0.03 30.76 0.00 0.00
207
+ ATOM 207 C PTH 1 73.89 1.03 27.76 0.00 0.00
208
+ ATOM 208 C PTH 1 73.89 1.03 28.76 0.00 0.00
209
+ ATOM 209 C PTH 1 73.89 1.03 29.76 0.00 0.00
210
+ ATOM 210 C PTH 1 73.89 1.03 30.76 0.00 0.00
211
+ ATOM 211 C PTH 1 73.89 2.03 28.76 0.00 0.00
212
+ ATOM 212 C PTH 1 73.89 2.03 29.76 0.00 0.00
213
+ ATOM 213 C PTH 1 73.89 2.03 30.76 0.00 0.00
214
+ ATOM 214 C PTH 1 74.89 -0.97 28.76 0.00 0.00
215
+ ATOM 215 C PTH 1 74.89 -0.97 29.76 0.00 0.00
216
+ ATOM 216 C PTH 1 74.89 -0.97 30.76 0.00 0.00
217
+ ATOM 217 C PTH 1 74.89 0.03 27.76 0.00 0.00
218
+ ATOM 218 C PTH 1 74.89 0.03 28.76 0.00 0.00
219
+ ATOM 219 C PTH 1 74.89 0.03 29.76 0.00 0.00
220
+ ATOM 220 C PTH 1 74.89 0.03 30.76 0.00 0.00
221
+ ATOM 221 C PTH 1 74.89 0.03 31.76 0.00 0.00
222
+ ATOM 222 C PTH 1 74.89 1.03 27.76 0.00 0.00
223
+ ATOM 223 C PTH 1 74.89 1.03 28.76 0.00 0.00
224
+ ATOM 224 C PTH 1 74.89 1.03 29.76 0.00 0.00
225
+ ATOM 225 C PTH 1 74.89 1.03 30.76 0.00 0.00
data/files/A001C/pocket_05.pdb ADDED
@@ -0,0 +1,109 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 58.89 11.03 35.76 0.00 0.00
2
+ ATOM 2 C PTH 1 58.89 11.03 36.76 0.00 0.00
3
+ ATOM 3 C PTH 1 58.89 11.03 37.76 0.00 0.00
4
+ ATOM 4 C PTH 1 58.89 12.03 35.76 0.00 0.00
5
+ ATOM 5 C PTH 1 58.89 12.03 36.76 0.00 0.00
6
+ ATOM 6 C PTH 1 58.89 12.03 37.76 0.00 0.00
7
+ ATOM 7 C PTH 1 58.89 13.03 35.76 0.00 0.00
8
+ ATOM 8 C PTH 1 58.89 13.03 36.76 0.00 0.00
9
+ ATOM 9 C PTH 1 58.89 13.03 37.76 0.00 0.00
10
+ ATOM 10 C PTH 1 58.89 14.03 35.76 0.00 0.00
11
+ ATOM 11 C PTH 1 58.89 14.03 36.76 0.00 0.00
12
+ ATOM 12 C PTH 1 58.89 14.03 37.76 0.00 0.00
13
+ ATOM 13 C PTH 1 59.89 11.03 34.76 0.00 0.00
14
+ ATOM 14 C PTH 1 59.89 11.03 35.76 0.00 0.00
15
+ ATOM 15 C PTH 1 59.89 11.03 36.76 0.00 0.00
16
+ ATOM 16 C PTH 1 59.89 11.03 37.76 0.00 0.00
17
+ ATOM 17 C PTH 1 59.89 12.03 34.76 0.00 0.00
18
+ ATOM 18 C PTH 1 59.89 12.03 35.76 0.00 0.00
19
+ ATOM 19 C PTH 1 59.89 12.03 36.76 0.00 0.00
20
+ ATOM 20 C PTH 1 59.89 12.03 37.76 0.00 0.00
21
+ ATOM 21 C PTH 1 59.89 13.03 34.76 0.00 0.00
22
+ ATOM 22 C PTH 1 59.89 13.03 35.76 0.00 0.00
23
+ ATOM 23 C PTH 1 59.89 13.03 36.76 0.00 0.00
24
+ ATOM 24 C PTH 1 59.89 13.03 37.76 0.00 0.00
25
+ ATOM 25 C PTH 1 59.89 14.03 34.76 0.00 0.00
26
+ ATOM 26 C PTH 1 59.89 14.03 35.76 0.00 0.00
27
+ ATOM 27 C PTH 1 59.89 14.03 36.76 0.00 0.00
28
+ ATOM 28 C PTH 1 59.89 14.03 37.76 0.00 0.00
29
+ ATOM 29 C PTH 1 59.89 15.03 34.76 0.00 0.00
30
+ ATOM 30 C PTH 1 59.89 15.03 35.76 0.00 0.00
31
+ ATOM 31 C PTH 1 59.89 15.03 36.76 0.00 0.00
32
+ ATOM 32 C PTH 1 59.89 15.03 37.76 0.00 0.00
33
+ ATOM 33 C PTH 1 59.89 16.03 34.76 0.00 0.00
34
+ ATOM 34 C PTH 1 59.89 16.03 35.76 0.00 0.00
35
+ ATOM 35 C PTH 1 59.89 16.03 36.76 0.00 0.00
36
+ ATOM 36 C PTH 1 60.89 11.03 35.76 0.00 0.00
37
+ ATOM 37 C PTH 1 60.89 11.03 36.76 0.00 0.00
38
+ ATOM 38 C PTH 1 60.89 11.03 37.76 0.00 0.00
39
+ ATOM 39 C PTH 1 60.89 12.03 34.76 0.00 0.00
40
+ ATOM 40 C PTH 1 60.89 12.03 35.76 0.00 0.00
41
+ ATOM 41 C PTH 1 60.89 12.03 36.76 0.00 0.00
42
+ ATOM 42 C PTH 1 60.89 12.03 37.76 0.00 0.00
43
+ ATOM 43 C PTH 1 60.89 13.03 34.76 0.00 0.00
44
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45
+ ATOM 45 C PTH 1 60.89 13.03 36.76 0.00 0.00
46
+ ATOM 46 C PTH 1 60.89 13.03 37.76 0.00 0.00
47
+ ATOM 47 C PTH 1 60.89 13.03 38.76 0.00 0.00
48
+ ATOM 48 C PTH 1 60.89 14.03 34.76 0.00 0.00
49
+ ATOM 49 C PTH 1 60.89 14.03 35.76 0.00 0.00
50
+ ATOM 50 C PTH 1 60.89 14.03 36.76 0.00 0.00
51
+ ATOM 51 C PTH 1 60.89 14.03 37.76 0.00 0.00
52
+ ATOM 52 C PTH 1 60.89 14.03 38.76 0.00 0.00
53
+ ATOM 53 C PTH 1 60.89 15.03 34.76 0.00 0.00
54
+ ATOM 54 C PTH 1 60.89 15.03 35.76 0.00 0.00
55
+ ATOM 55 C PTH 1 60.89 15.03 36.76 0.00 0.00
56
+ ATOM 56 C PTH 1 60.89 15.03 37.76 0.00 0.00
57
+ ATOM 57 C PTH 1 60.89 16.03 33.76 0.00 0.00
58
+ ATOM 58 C PTH 1 60.89 16.03 34.76 0.00 0.00
59
+ ATOM 59 C PTH 1 60.89 16.03 35.76 0.00 0.00
60
+ ATOM 60 C PTH 1 60.89 16.03 36.76 0.00 0.00
61
+ ATOM 61 C PTH 1 60.89 16.03 37.76 0.00 0.00
62
+ ATOM 62 C PTH 1 61.89 11.03 36.76 0.00 0.00
63
+ ATOM 63 C PTH 1 61.89 12.03 34.76 0.00 0.00
64
+ ATOM 64 C PTH 1 61.89 12.03 35.76 0.00 0.00
65
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66
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67
+ ATOM 67 C PTH 1 61.89 13.03 34.76 0.00 0.00
68
+ ATOM 68 C PTH 1 61.89 13.03 35.76 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 61.89 14.03 38.76 0.00 0.00
76
+ ATOM 76 C PTH 1 61.89 15.03 33.76 0.00 0.00
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
+ ATOM 86 C PTH 1 62.89 13.03 34.76 0.00 0.00
87
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88
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89
+ ATOM 89 C PTH 1 62.89 13.03 37.76 0.00 0.00
90
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91
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92
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93
+ ATOM 93 C PTH 1 62.89 14.03 37.76 0.00 0.00
94
+ ATOM 94 C PTH 1 62.89 15.03 34.76 0.00 0.00
95
+ ATOM 95 C PTH 1 62.89 15.03 35.76 0.00 0.00
96
+ ATOM 96 C PTH 1 62.89 15.03 36.76 0.00 0.00
97
+ ATOM 97 C PTH 1 62.89 15.03 37.76 0.00 0.00
98
+ ATOM 98 C PTH 1 62.89 16.03 34.76 0.00 0.00
99
+ ATOM 99 C PTH 1 62.89 16.03 35.76 0.00 0.00
100
+ ATOM 100 C PTH 1 62.89 16.03 36.76 0.00 0.00
101
+ ATOM 101 C PTH 1 62.89 16.03 37.76 0.00 0.00
102
+ ATOM 102 C PTH 1 63.89 13.03 37.76 0.00 0.00
103
+ ATOM 103 C PTH 1 63.89 14.03 36.76 0.00 0.00
104
+ ATOM 104 C PTH 1 63.89 14.03 37.76 0.00 0.00
105
+ ATOM 105 C PTH 1 63.89 14.03 38.76 0.00 0.00
106
+ ATOM 106 C PTH 1 63.89 15.03 35.76 0.00 0.00
107
+ ATOM 107 C PTH 1 63.89 15.03 36.76 0.00 0.00
108
+ ATOM 108 C PTH 1 63.89 15.03 37.76 0.00 0.00
109
+ ATOM 109 C PTH 1 63.89 15.03 38.76 0.00 0.00
data/files/A001J/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A002F/pocket_02.pdb ADDED
@@ -0,0 +1,322 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 73.14 89.22 36.22 0.00 0.00
2
+ ATOM 2 C PTH 1 73.14 89.22 37.22 0.00 0.00
3
+ ATOM 3 C PTH 1 73.14 90.22 36.22 0.00 0.00
4
+ ATOM 4 C PTH 1 73.14 90.22 37.22 0.00 0.00
5
+ ATOM 5 C PTH 1 73.14 90.22 38.22 0.00 0.00
6
+ ATOM 6 C PTH 1 73.14 91.22 36.22 0.00 0.00
7
+ ATOM 7 C PTH 1 73.14 91.22 37.22 0.00 0.00
8
+ ATOM 8 C PTH 1 73.14 91.22 38.22 0.00 0.00
9
+ ATOM 9 C PTH 1 73.14 92.22 35.22 0.00 0.00
10
+ ATOM 10 C PTH 1 73.14 92.22 36.22 0.00 0.00
11
+ ATOM 11 C PTH 1 73.14 92.22 37.22 0.00 0.00
12
+ ATOM 12 C PTH 1 73.14 93.22 36.22 0.00 0.00
13
+ ATOM 13 C PTH 1 74.14 88.22 37.22 0.00 0.00
14
+ ATOM 14 C PTH 1 74.14 88.22 38.22 0.00 0.00
15
+ ATOM 15 C PTH 1 74.14 88.22 39.22 0.00 0.00
16
+ ATOM 16 C PTH 1 74.14 89.22 36.22 0.00 0.00
17
+ ATOM 17 C PTH 1 74.14 89.22 37.22 0.00 0.00
18
+ ATOM 18 C PTH 1 74.14 89.22 38.22 0.00 0.00
19
+ ATOM 19 C PTH 1 74.14 89.22 39.22 0.00 0.00
20
+ ATOM 20 C PTH 1 74.14 89.22 40.22 0.00 0.00
21
+ ATOM 21 C PTH 1 74.14 89.22 41.22 0.00 0.00
22
+ ATOM 22 C PTH 1 74.14 89.22 42.22 0.00 0.00
23
+ ATOM 23 C PTH 1 74.14 90.22 35.22 0.00 0.00
24
+ ATOM 24 C PTH 1 74.14 90.22 36.22 0.00 0.00
25
+ ATOM 25 C PTH 1 74.14 90.22 37.22 0.00 0.00
26
+ ATOM 26 C PTH 1 74.14 90.22 38.22 0.00 0.00
27
+ ATOM 27 C PTH 1 74.14 90.22 39.22 0.00 0.00
28
+ ATOM 28 C PTH 1 74.14 90.22 40.22 0.00 0.00
29
+ ATOM 29 C PTH 1 74.14 90.22 41.22 0.00 0.00
30
+ ATOM 30 C PTH 1 74.14 90.22 42.22 0.00 0.00
31
+ ATOM 31 C PTH 1 74.14 91.22 35.22 0.00 0.00
32
+ ATOM 32 C PTH 1 74.14 91.22 36.22 0.00 0.00
33
+ ATOM 33 C PTH 1 74.14 91.22 37.22 0.00 0.00
34
+ ATOM 34 C PTH 1 74.14 91.22 38.22 0.00 0.00
35
+ ATOM 35 C PTH 1 74.14 91.22 39.22 0.00 0.00
36
+ ATOM 36 C PTH 1 74.14 91.22 40.22 0.00 0.00
37
+ ATOM 37 C PTH 1 74.14 91.22 41.22 0.00 0.00
38
+ ATOM 38 C PTH 1 74.14 91.22 42.22 0.00 0.00
39
+ ATOM 39 C PTH 1 74.14 92.22 35.22 0.00 0.00
40
+ ATOM 40 C PTH 1 74.14 92.22 36.22 0.00 0.00
41
+ ATOM 41 C PTH 1 74.14 92.22 37.22 0.00 0.00
42
+ ATOM 42 C PTH 1 74.14 92.22 38.22 0.00 0.00
43
+ ATOM 43 C PTH 1 74.14 92.22 39.22 0.00 0.00
44
+ ATOM 44 C PTH 1 74.14 92.22 40.22 0.00 0.00
45
+ ATOM 45 C PTH 1 74.14 93.22 35.22 0.00 0.00
46
+ ATOM 46 C PTH 1 74.14 93.22 36.22 0.00 0.00
47
+ ATOM 47 C PTH 1 74.14 93.22 37.22 0.00 0.00
48
+ ATOM 48 C PTH 1 74.14 94.22 35.22 0.00 0.00
49
+ ATOM 49 C PTH 1 74.14 94.22 36.22 0.00 0.00
50
+ ATOM 50 C PTH 1 75.14 86.22 38.22 0.00 0.00
51
+ ATOM 51 C PTH 1 75.14 86.22 39.22 0.00 0.00
52
+ ATOM 52 C PTH 1 75.14 87.22 37.22 0.00 0.00
53
+ ATOM 53 C PTH 1 75.14 87.22 38.22 0.00 0.00
54
+ ATOM 54 C PTH 1 75.14 87.22 39.22 0.00 0.00
55
+ ATOM 55 C PTH 1 75.14 87.22 40.22 0.00 0.00
56
+ ATOM 56 C PTH 1 75.14 88.22 36.22 0.00 0.00
57
+ ATOM 57 C PTH 1 75.14 88.22 37.22 0.00 0.00
58
+ ATOM 58 C PTH 1 75.14 88.22 38.22 0.00 0.00
59
+ ATOM 59 C PTH 1 75.14 88.22 39.22 0.00 0.00
60
+ ATOM 60 C PTH 1 75.14 88.22 40.22 0.00 0.00
61
+ ATOM 61 C PTH 1 75.14 88.22 41.22 0.00 0.00
62
+ ATOM 62 C PTH 1 75.14 88.22 42.22 0.00 0.00
63
+ ATOM 63 C PTH 1 75.14 89.22 35.22 0.00 0.00
64
+ ATOM 64 C PTH 1 75.14 89.22 36.22 0.00 0.00
65
+ ATOM 65 C PTH 1 75.14 89.22 37.22 0.00 0.00
66
+ ATOM 66 C PTH 1 75.14 89.22 38.22 0.00 0.00
67
+ ATOM 67 C PTH 1 75.14 89.22 39.22 0.00 0.00
68
+ ATOM 68 C PTH 1 75.14 89.22 40.22 0.00 0.00
69
+ ATOM 69 C PTH 1 75.14 89.22 41.22 0.00 0.00
70
+ ATOM 70 C PTH 1 75.14 89.22 42.22 0.00 0.00
71
+ ATOM 71 C PTH 1 75.14 90.22 35.22 0.00 0.00
72
+ ATOM 72 C PTH 1 75.14 90.22 36.22 0.00 0.00
73
+ ATOM 73 C PTH 1 75.14 90.22 37.22 0.00 0.00
74
+ ATOM 74 C PTH 1 75.14 90.22 38.22 0.00 0.00
75
+ ATOM 75 C PTH 1 75.14 90.22 39.22 0.00 0.00
76
+ ATOM 76 C PTH 1 75.14 90.22 40.22 0.00 0.00
77
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78
+ ATOM 78 C PTH 1 75.14 90.22 42.22 0.00 0.00
79
+ ATOM 79 C PTH 1 75.14 91.22 35.22 0.00 0.00
80
+ ATOM 80 C PTH 1 75.14 91.22 36.22 0.00 0.00
81
+ ATOM 81 C PTH 1 75.14 91.22 37.22 0.00 0.00
82
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83
+ ATOM 83 C PTH 1 75.14 91.22 39.22 0.00 0.00
84
+ ATOM 84 C PTH 1 75.14 91.22 40.22 0.00 0.00
85
+ ATOM 85 C PTH 1 75.14 91.22 41.22 0.00 0.00
86
+ ATOM 86 C PTH 1 75.14 91.22 42.22 0.00 0.00
87
+ ATOM 87 C PTH 1 75.14 92.22 34.22 0.00 0.00
88
+ ATOM 88 C PTH 1 75.14 92.22 35.22 0.00 0.00
89
+ ATOM 89 C PTH 1 75.14 92.22 36.22 0.00 0.00
90
+ ATOM 90 C PTH 1 75.14 92.22 37.22 0.00 0.00
91
+ ATOM 91 C PTH 1 75.14 92.22 38.22 0.00 0.00
92
+ ATOM 92 C PTH 1 75.14 92.22 39.22 0.00 0.00
93
+ ATOM 93 C PTH 1 75.14 92.22 40.22 0.00 0.00
94
+ ATOM 94 C PTH 1 75.14 92.22 41.22 0.00 0.00
95
+ ATOM 95 C PTH 1 75.14 93.22 34.22 0.00 0.00
96
+ ATOM 96 C PTH 1 75.14 93.22 35.22 0.00 0.00
97
+ ATOM 97 C PTH 1 75.14 93.22 36.22 0.00 0.00
98
+ ATOM 98 C PTH 1 75.14 93.22 37.22 0.00 0.00
99
+ ATOM 99 C PTH 1 75.14 94.22 35.22 0.00 0.00
100
+ ATOM 100 C PTH 1 75.14 94.22 36.22 0.00 0.00
101
+ ATOM 101 C PTH 1 76.14 86.22 37.22 0.00 0.00
102
+ ATOM 102 C PTH 1 76.14 86.22 38.22 0.00 0.00
103
+ ATOM 103 C PTH 1 76.14 86.22 39.22 0.00 0.00
104
+ ATOM 104 C PTH 1 76.14 86.22 40.22 0.00 0.00
105
+ ATOM 105 C PTH 1 76.14 87.22 36.22 0.00 0.00
106
+ ATOM 106 C PTH 1 76.14 87.22 37.22 0.00 0.00
107
+ ATOM 107 C PTH 1 76.14 87.22 38.22 0.00 0.00
108
+ ATOM 108 C PTH 1 76.14 87.22 39.22 0.00 0.00
109
+ ATOM 109 C PTH 1 76.14 87.22 40.22 0.00 0.00
110
+ ATOM 110 C PTH 1 76.14 87.22 41.22 0.00 0.00
111
+ ATOM 111 C PTH 1 76.14 87.22 42.22 0.00 0.00
112
+ ATOM 112 C PTH 1 76.14 88.22 36.22 0.00 0.00
113
+ ATOM 113 C PTH 1 76.14 88.22 37.22 0.00 0.00
114
+ ATOM 114 C PTH 1 76.14 88.22 38.22 0.00 0.00
115
+ ATOM 115 C PTH 1 76.14 88.22 39.22 0.00 0.00
116
+ ATOM 116 C PTH 1 76.14 88.22 40.22 0.00 0.00
117
+ ATOM 117 C PTH 1 76.14 88.22 41.22 0.00 0.00
118
+ ATOM 118 C PTH 1 76.14 88.22 42.22 0.00 0.00
119
+ ATOM 119 C PTH 1 76.14 89.22 35.22 0.00 0.00
120
+ ATOM 120 C PTH 1 76.14 89.22 36.22 0.00 0.00
121
+ ATOM 121 C PTH 1 76.14 89.22 37.22 0.00 0.00
122
+ ATOM 122 C PTH 1 76.14 89.22 38.22 0.00 0.00
123
+ ATOM 123 C PTH 1 76.14 89.22 39.22 0.00 0.00
124
+ ATOM 124 C PTH 1 76.14 89.22 40.22 0.00 0.00
125
+ ATOM 125 C PTH 1 76.14 89.22 41.22 0.00 0.00
126
+ ATOM 126 C PTH 1 76.14 89.22 42.22 0.00 0.00
127
+ ATOM 127 C PTH 1 76.14 90.22 35.22 0.00 0.00
128
+ ATOM 128 C PTH 1 76.14 90.22 36.22 0.00 0.00
129
+ ATOM 129 C PTH 1 76.14 90.22 37.22 0.00 0.00
130
+ ATOM 130 C PTH 1 76.14 90.22 38.22 0.00 0.00
131
+ ATOM 131 C PTH 1 76.14 90.22 39.22 0.00 0.00
132
+ ATOM 132 C PTH 1 76.14 90.22 40.22 0.00 0.00
133
+ ATOM 133 C PTH 1 76.14 90.22 41.22 0.00 0.00
134
+ ATOM 134 C PTH 1 76.14 90.22 42.22 0.00 0.00
135
+ ATOM 135 C PTH 1 76.14 91.22 34.22 0.00 0.00
136
+ ATOM 136 C PTH 1 76.14 91.22 35.22 0.00 0.00
137
+ ATOM 137 C PTH 1 76.14 91.22 36.22 0.00 0.00
138
+ ATOM 138 C PTH 1 76.14 91.22 37.22 0.00 0.00
139
+ ATOM 139 C PTH 1 76.14 91.22 38.22 0.00 0.00
140
+ ATOM 140 C PTH 1 76.14 91.22 39.22 0.00 0.00
141
+ ATOM 141 C PTH 1 76.14 91.22 40.22 0.00 0.00
142
+ ATOM 142 C PTH 1 76.14 91.22 41.22 0.00 0.00
143
+ ATOM 143 C PTH 1 76.14 91.22 42.22 0.00 0.00
144
+ ATOM 144 C PTH 1 76.14 92.22 34.22 0.00 0.00
145
+ ATOM 145 C PTH 1 76.14 92.22 35.22 0.00 0.00
146
+ ATOM 146 C PTH 1 76.14 92.22 36.22 0.00 0.00
147
+ ATOM 147 C PTH 1 76.14 92.22 37.22 0.00 0.00
148
+ ATOM 148 C PTH 1 76.14 92.22 39.22 0.00 0.00
149
+ ATOM 149 C PTH 1 76.14 92.22 40.22 0.00 0.00
150
+ ATOM 150 C PTH 1 76.14 92.22 41.22 0.00 0.00
151
+ ATOM 151 C PTH 1 76.14 93.22 34.22 0.00 0.00
152
+ ATOM 152 C PTH 1 76.14 93.22 35.22 0.00 0.00
153
+ ATOM 153 C PTH 1 76.14 93.22 36.22 0.00 0.00
154
+ ATOM 154 C PTH 1 76.14 93.22 37.22 0.00 0.00
155
+ ATOM 155 C PTH 1 76.14 94.22 34.22 0.00 0.00
156
+ ATOM 156 C PTH 1 76.14 94.22 35.22 0.00 0.00
157
+ ATOM 157 C PTH 1 76.14 94.22 36.22 0.00 0.00
158
+ ATOM 158 C PTH 1 77.14 86.22 36.22 0.00 0.00
159
+ ATOM 159 C PTH 1 77.14 86.22 37.22 0.00 0.00
160
+ ATOM 160 C PTH 1 77.14 86.22 38.22 0.00 0.00
161
+ ATOM 161 C PTH 1 77.14 86.22 39.22 0.00 0.00
162
+ ATOM 162 C PTH 1 77.14 86.22 40.22 0.00 0.00
163
+ ATOM 163 C PTH 1 77.14 87.22 35.22 0.00 0.00
164
+ ATOM 164 C PTH 1 77.14 87.22 36.22 0.00 0.00
165
+ ATOM 165 C PTH 1 77.14 87.22 37.22 0.00 0.00
166
+ ATOM 166 C PTH 1 77.14 87.22 38.22 0.00 0.00
167
+ ATOM 167 C PTH 1 77.14 87.22 39.22 0.00 0.00
168
+ ATOM 168 C PTH 1 77.14 87.22 40.22 0.00 0.00
169
+ ATOM 169 C PTH 1 77.14 87.22 41.22 0.00 0.00
170
+ ATOM 170 C PTH 1 77.14 87.22 42.22 0.00 0.00
171
+ ATOM 171 C PTH 1 77.14 88.22 35.22 0.00 0.00
172
+ ATOM 172 C PTH 1 77.14 88.22 36.22 0.00 0.00
173
+ ATOM 173 C PTH 1 77.14 88.22 37.22 0.00 0.00
174
+ ATOM 174 C PTH 1 77.14 88.22 38.22 0.00 0.00
175
+ ATOM 175 C PTH 1 77.14 88.22 39.22 0.00 0.00
176
+ ATOM 176 C PTH 1 77.14 88.22 40.22 0.00 0.00
177
+ ATOM 177 C PTH 1 77.14 88.22 41.22 0.00 0.00
178
+ ATOM 178 C PTH 1 77.14 88.22 42.22 0.00 0.00
179
+ ATOM 179 C PTH 1 77.14 89.22 35.22 0.00 0.00
180
+ ATOM 180 C PTH 1 77.14 89.22 36.22 0.00 0.00
181
+ ATOM 181 C PTH 1 77.14 89.22 37.22 0.00 0.00
182
+ ATOM 182 C PTH 1 77.14 89.22 38.22 0.00 0.00
183
+ ATOM 183 C PTH 1 77.14 89.22 39.22 0.00 0.00
184
+ ATOM 184 C PTH 1 77.14 89.22 40.22 0.00 0.00
185
+ ATOM 185 C PTH 1 77.14 89.22 41.22 0.00 0.00
186
+ ATOM 186 C PTH 1 77.14 89.22 42.22 0.00 0.00
187
+ ATOM 187 C PTH 1 77.14 90.22 35.22 0.00 0.00
188
+ ATOM 188 C PTH 1 77.14 90.22 36.22 0.00 0.00
189
+ ATOM 189 C PTH 1 77.14 90.22 37.22 0.00 0.00
190
+ ATOM 190 C PTH 1 77.14 90.22 38.22 0.00 0.00
191
+ ATOM 191 C PTH 1 77.14 90.22 39.22 0.00 0.00
192
+ ATOM 192 C PTH 1 77.14 90.22 40.22 0.00 0.00
193
+ ATOM 193 C PTH 1 77.14 90.22 41.22 0.00 0.00
194
+ ATOM 194 C PTH 1 77.14 90.22 42.22 0.00 0.00
195
+ ATOM 195 C PTH 1 77.14 91.22 34.22 0.00 0.00
196
+ ATOM 196 C PTH 1 77.14 91.22 35.22 0.00 0.00
197
+ ATOM 197 C PTH 1 77.14 91.22 36.22 0.00 0.00
198
+ ATOM 198 C PTH 1 77.14 91.22 37.22 0.00 0.00
199
+ ATOM 199 C PTH 1 77.14 91.22 38.22 0.00 0.00
200
+ ATOM 200 C PTH 1 77.14 91.22 39.22 0.00 0.00
201
+ ATOM 201 C PTH 1 77.14 91.22 40.22 0.00 0.00
202
+ ATOM 202 C PTH 1 77.14 91.22 41.22 0.00 0.00
203
+ ATOM 203 C PTH 1 77.14 91.22 42.22 0.00 0.00
204
+ ATOM 204 C PTH 1 77.14 92.22 34.22 0.00 0.00
205
+ ATOM 205 C PTH 1 77.14 92.22 35.22 0.00 0.00
206
+ ATOM 206 C PTH 1 77.14 92.22 36.22 0.00 0.00
207
+ ATOM 207 C PTH 1 77.14 93.22 34.22 0.00 0.00
208
+ ATOM 208 C PTH 1 77.14 93.22 35.22 0.00 0.00
209
+ ATOM 209 C PTH 1 77.14 94.22 34.22 0.00 0.00
210
+ ATOM 210 C PTH 1 78.14 85.22 37.22 0.00 0.00
211
+ ATOM 211 C PTH 1 78.14 85.22 38.22 0.00 0.00
212
+ ATOM 212 C PTH 1 78.14 85.22 39.22 0.00 0.00
213
+ ATOM 213 C PTH 1 78.14 86.22 36.22 0.00 0.00
214
+ ATOM 214 C PTH 1 78.14 86.22 37.22 0.00 0.00
215
+ ATOM 215 C PTH 1 78.14 86.22 38.22 0.00 0.00
216
+ ATOM 216 C PTH 1 78.14 86.22 39.22 0.00 0.00
217
+ ATOM 217 C PTH 1 78.14 86.22 40.22 0.00 0.00
218
+ ATOM 218 C PTH 1 78.14 86.22 41.22 0.00 0.00
219
+ ATOM 219 C PTH 1 78.14 87.22 35.22 0.00 0.00
220
+ ATOM 220 C PTH 1 78.14 87.22 36.22 0.00 0.00
221
+ ATOM 221 C PTH 1 78.14 87.22 37.22 0.00 0.00
222
+ ATOM 222 C PTH 1 78.14 87.22 38.22 0.00 0.00
223
+ ATOM 223 C PTH 1 78.14 87.22 39.22 0.00 0.00
224
+ ATOM 224 C PTH 1 78.14 87.22 40.22 0.00 0.00
225
+ ATOM 225 C PTH 1 78.14 87.22 41.22 0.00 0.00
226
+ ATOM 226 C PTH 1 78.14 87.22 42.22 0.00 0.00
227
+ ATOM 227 C PTH 1 78.14 88.22 35.22 0.00 0.00
228
+ ATOM 228 C PTH 1 78.14 88.22 36.22 0.00 0.00
229
+ ATOM 229 C PTH 1 78.14 88.22 37.22 0.00 0.00
230
+ ATOM 230 C PTH 1 78.14 88.22 38.22 0.00 0.00
231
+ ATOM 231 C PTH 1 78.14 88.22 39.22 0.00 0.00
232
+ ATOM 232 C PTH 1 78.14 88.22 40.22 0.00 0.00
233
+ ATOM 233 C PTH 1 78.14 88.22 41.22 0.00 0.00
234
+ ATOM 234 C PTH 1 78.14 88.22 42.22 0.00 0.00
235
+ ATOM 235 C PTH 1 78.14 89.22 35.22 0.00 0.00
236
+ ATOM 236 C PTH 1 78.14 89.22 36.22 0.00 0.00
237
+ ATOM 237 C PTH 1 78.14 89.22 37.22 0.00 0.00
238
+ ATOM 238 C PTH 1 78.14 89.22 38.22 0.00 0.00
239
+ ATOM 239 C PTH 1 78.14 89.22 39.22 0.00 0.00
240
+ ATOM 240 C PTH 1 78.14 89.22 40.22 0.00 0.00
241
+ ATOM 241 C PTH 1 78.14 89.22 41.22 0.00 0.00
242
+ ATOM 242 C PTH 1 78.14 89.22 42.22 0.00 0.00
243
+ ATOM 243 C PTH 1 78.14 90.22 35.22 0.00 0.00
244
+ ATOM 244 C PTH 1 78.14 90.22 36.22 0.00 0.00
245
+ ATOM 245 C PTH 1 78.14 90.22 37.22 0.00 0.00
246
+ ATOM 246 C PTH 1 78.14 90.22 38.22 0.00 0.00
247
+ ATOM 247 C PTH 1 78.14 90.22 39.22 0.00 0.00
248
+ ATOM 248 C PTH 1 78.14 90.22 40.22 0.00 0.00
249
+ ATOM 249 C PTH 1 78.14 90.22 41.22 0.00 0.00
250
+ ATOM 250 C PTH 1 78.14 90.22 42.22 0.00 0.00
251
+ ATOM 251 C PTH 1 78.14 91.22 35.22 0.00 0.00
252
+ ATOM 252 C PTH 1 78.14 91.22 40.22 0.00 0.00
253
+ ATOM 253 C PTH 1 78.14 92.22 34.22 0.00 0.00
254
+ ATOM 254 C PTH 1 78.14 92.22 35.22 0.00 0.00
255
+ ATOM 255 C PTH 1 79.14 85.22 36.22 0.00 0.00
256
+ ATOM 256 C PTH 1 79.14 85.22 37.22 0.00 0.00
257
+ ATOM 257 C PTH 1 79.14 85.22 38.22 0.00 0.00
258
+ ATOM 258 C PTH 1 79.14 85.22 39.22 0.00 0.00
259
+ ATOM 259 C PTH 1 79.14 85.22 40.22 0.00 0.00
260
+ ATOM 260 C PTH 1 79.14 86.22 35.22 0.00 0.00
261
+ ATOM 261 C PTH 1 79.14 86.22 36.22 0.00 0.00
262
+ ATOM 262 C PTH 1 79.14 86.22 37.22 0.00 0.00
263
+ ATOM 263 C PTH 1 79.14 86.22 38.22 0.00 0.00
264
+ ATOM 264 C PTH 1 79.14 86.22 39.22 0.00 0.00
265
+ ATOM 265 C PTH 1 79.14 86.22 40.22 0.00 0.00
266
+ ATOM 266 C PTH 1 79.14 86.22 41.22 0.00 0.00
267
+ ATOM 267 C PTH 1 79.14 87.22 35.22 0.00 0.00
268
+ ATOM 268 C PTH 1 79.14 87.22 36.22 0.00 0.00
269
+ ATOM 269 C PTH 1 79.14 87.22 37.22 0.00 0.00
270
+ ATOM 270 C PTH 1 79.14 87.22 38.22 0.00 0.00
271
+ ATOM 271 C PTH 1 79.14 87.22 39.22 0.00 0.00
272
+ ATOM 272 C PTH 1 79.14 87.22 40.22 0.00 0.00
273
+ ATOM 273 C PTH 1 79.14 87.22 41.22 0.00 0.00
274
+ ATOM 274 C PTH 1 79.14 88.22 36.22 0.00 0.00
275
+ ATOM 275 C PTH 1 79.14 88.22 37.22 0.00 0.00
276
+ ATOM 276 C PTH 1 79.14 88.22 38.22 0.00 0.00
277
+ ATOM 277 C PTH 1 79.14 88.22 39.22 0.00 0.00
278
+ ATOM 278 C PTH 1 79.14 88.22 40.22 0.00 0.00
279
+ ATOM 279 C PTH 1 79.14 88.22 41.22 0.00 0.00
280
+ ATOM 280 C PTH 1 79.14 89.22 36.22 0.00 0.00
281
+ ATOM 281 C PTH 1 79.14 89.22 37.22 0.00 0.00
282
+ ATOM 282 C PTH 1 79.14 89.22 38.22 0.00 0.00
283
+ ATOM 283 C PTH 1 79.14 89.22 39.22 0.00 0.00
284
+ ATOM 284 C PTH 1 80.14 84.22 36.22 0.00 0.00
285
+ ATOM 285 C PTH 1 80.14 84.22 37.22 0.00 0.00
286
+ ATOM 286 C PTH 1 80.14 84.22 38.22 0.00 0.00
287
+ ATOM 287 C PTH 1 80.14 84.22 39.22 0.00 0.00
288
+ ATOM 288 C PTH 1 80.14 84.22 40.22 0.00 0.00
289
+ ATOM 289 C PTH 1 80.14 85.22 36.22 0.00 0.00
290
+ ATOM 290 C PTH 1 80.14 85.22 37.22 0.00 0.00
291
+ ATOM 291 C PTH 1 80.14 85.22 38.22 0.00 0.00
292
+ ATOM 292 C PTH 1 80.14 85.22 39.22 0.00 0.00
293
+ ATOM 293 C PTH 1 80.14 85.22 40.22 0.00 0.00
294
+ ATOM 294 C PTH 1 80.14 85.22 41.22 0.00 0.00
295
+ ATOM 295 C PTH 1 80.14 86.22 35.22 0.00 0.00
296
+ ATOM 296 C PTH 1 80.14 86.22 36.22 0.00 0.00
297
+ ATOM 297 C PTH 1 80.14 86.22 37.22 0.00 0.00
298
+ ATOM 298 C PTH 1 80.14 86.22 38.22 0.00 0.00
299
+ ATOM 299 C PTH 1 80.14 86.22 39.22 0.00 0.00
300
+ ATOM 300 C PTH 1 80.14 86.22 40.22 0.00 0.00
301
+ ATOM 301 C PTH 1 80.14 86.22 41.22 0.00 0.00
302
+ ATOM 302 C PTH 1 80.14 87.22 35.22 0.00 0.00
303
+ ATOM 303 C PTH 1 80.14 87.22 36.22 0.00 0.00
304
+ ATOM 304 C PTH 1 80.14 87.22 37.22 0.00 0.00
305
+ ATOM 305 C PTH 1 80.14 87.22 38.22 0.00 0.00
306
+ ATOM 306 C PTH 1 80.14 87.22 39.22 0.00 0.00
307
+ ATOM 307 C PTH 1 80.14 88.22 36.22 0.00 0.00
308
+ ATOM 308 C PTH 1 81.14 84.22 37.22 0.00 0.00
309
+ ATOM 309 C PTH 1 81.14 84.22 38.22 0.00 0.00
310
+ ATOM 310 C PTH 1 81.14 84.22 39.22 0.00 0.00
311
+ ATOM 311 C PTH 1 81.14 84.22 40.22 0.00 0.00
312
+ ATOM 312 C PTH 1 81.14 85.22 36.22 0.00 0.00
313
+ ATOM 313 C PTH 1 81.14 85.22 37.22 0.00 0.00
314
+ ATOM 314 C PTH 1 81.14 85.22 38.22 0.00 0.00
315
+ ATOM 315 C PTH 1 81.14 85.22 39.22 0.00 0.00
316
+ ATOM 316 C PTH 1 81.14 85.22 40.22 0.00 0.00
317
+ ATOM 317 C PTH 1 81.14 86.22 36.22 0.00 0.00
318
+ ATOM 318 C PTH 1 81.14 86.22 37.22 0.00 0.00
319
+ ATOM 319 C PTH 1 81.14 86.22 38.22 0.00 0.00
320
+ ATOM 320 C PTH 1 81.14 86.22 39.22 0.00 0.00
321
+ ATOM 321 C PTH 1 81.14 87.22 36.22 0.00 0.00
322
+ ATOM 322 C PTH 1 81.14 87.22 37.22 0.00 0.00
data/files/A002F/pocket_03.pdb ADDED
@@ -0,0 +1,167 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 91.14 79.22 38.22 0.00 0.00
2
+ ATOM 2 C PTH 1 91.14 79.22 39.22 0.00 0.00
3
+ ATOM 3 C PTH 1 91.14 80.22 37.22 0.00 0.00
4
+ ATOM 4 C PTH 1 91.14 80.22 38.22 0.00 0.00
5
+ ATOM 5 C PTH 1 91.14 80.22 39.22 0.00 0.00
6
+ ATOM 6 C PTH 1 91.14 81.22 37.22 0.00 0.00
7
+ ATOM 7 C PTH 1 91.14 81.22 38.22 0.00 0.00
8
+ ATOM 8 C PTH 1 91.14 81.22 39.22 0.00 0.00
9
+ ATOM 9 C PTH 1 91.14 81.22 40.22 0.00 0.00
10
+ ATOM 10 C PTH 1 91.14 82.22 37.22 0.00 0.00
11
+ ATOM 11 C PTH 1 91.14 82.22 38.22 0.00 0.00
12
+ ATOM 12 C PTH 1 91.14 82.22 39.22 0.00 0.00
13
+ ATOM 13 C PTH 1 92.14 79.22 38.22 0.00 0.00
14
+ ATOM 14 C PTH 1 92.14 79.22 39.22 0.00 0.00
15
+ ATOM 15 C PTH 1 92.14 80.22 38.22 0.00 0.00
16
+ ATOM 16 C PTH 1 92.14 80.22 39.22 0.00 0.00
17
+ ATOM 17 C PTH 1 92.14 80.22 40.22 0.00 0.00
18
+ ATOM 18 C PTH 1 92.14 81.22 37.22 0.00 0.00
19
+ ATOM 19 C PTH 1 92.14 81.22 38.22 0.00 0.00
20
+ ATOM 20 C PTH 1 92.14 81.22 39.22 0.00 0.00
21
+ ATOM 21 C PTH 1 92.14 81.22 40.22 0.00 0.00
22
+ ATOM 22 C PTH 1 92.14 82.22 37.22 0.00 0.00
23
+ ATOM 23 C PTH 1 92.14 82.22 38.22 0.00 0.00
24
+ ATOM 24 C PTH 1 92.14 82.22 39.22 0.00 0.00
25
+ ATOM 25 C PTH 1 92.14 82.22 40.22 0.00 0.00
26
+ ATOM 26 C PTH 1 92.14 83.22 38.22 0.00 0.00
27
+ ATOM 27 C PTH 1 92.14 83.22 39.22 0.00 0.00
28
+ ATOM 28 C PTH 1 92.14 83.22 40.22 0.00 0.00
29
+ ATOM 29 C PTH 1 92.14 84.22 39.22 0.00 0.00
30
+ ATOM 30 C PTH 1 92.14 84.22 40.22 0.00 0.00
31
+ ATOM 31 C PTH 1 92.14 84.22 41.22 0.00 0.00
32
+ ATOM 32 C PTH 1 92.14 85.22 39.22 0.00 0.00
33
+ ATOM 33 C PTH 1 92.14 85.22 40.22 0.00 0.00
34
+ ATOM 34 C PTH 1 92.14 85.22 41.22 0.00 0.00
35
+ ATOM 35 C PTH 1 92.14 85.22 42.22 0.00 0.00
36
+ ATOM 36 C PTH 1 92.14 85.22 43.22 0.00 0.00
37
+ ATOM 37 C PTH 1 93.14 79.22 38.22 0.00 0.00
38
+ ATOM 38 C PTH 1 93.14 79.22 39.22 0.00 0.00
39
+ ATOM 39 C PTH 1 93.14 80.22 38.22 0.00 0.00
40
+ ATOM 40 C PTH 1 93.14 80.22 39.22 0.00 0.00
41
+ ATOM 41 C PTH 1 93.14 80.22 40.22 0.00 0.00
42
+ ATOM 42 C PTH 1 93.14 81.22 37.22 0.00 0.00
43
+ ATOM 43 C PTH 1 93.14 81.22 38.22 0.00 0.00
44
+ ATOM 44 C PTH 1 93.14 81.22 39.22 0.00 0.00
45
+ ATOM 45 C PTH 1 93.14 81.22 40.22 0.00 0.00
46
+ ATOM 46 C PTH 1 93.14 81.22 41.22 0.00 0.00
47
+ ATOM 47 C PTH 1 93.14 82.22 37.22 0.00 0.00
48
+ ATOM 48 C PTH 1 93.14 82.22 38.22 0.00 0.00
49
+ ATOM 49 C PTH 1 93.14 82.22 39.22 0.00 0.00
50
+ ATOM 50 C PTH 1 93.14 82.22 40.22 0.00 0.00
51
+ ATOM 51 C PTH 1 93.14 82.22 41.22 0.00 0.00
52
+ ATOM 52 C PTH 1 93.14 82.22 42.22 0.00 0.00
53
+ ATOM 53 C PTH 1 93.14 83.22 37.22 0.00 0.00
54
+ ATOM 54 C PTH 1 93.14 83.22 38.22 0.00 0.00
55
+ ATOM 55 C PTH 1 93.14 83.22 39.22 0.00 0.00
56
+ ATOM 56 C PTH 1 93.14 83.22 40.22 0.00 0.00
57
+ ATOM 57 C PTH 1 93.14 83.22 41.22 0.00 0.00
58
+ ATOM 58 C PTH 1 93.14 83.22 42.22 0.00 0.00
59
+ ATOM 59 C PTH 1 93.14 84.22 38.22 0.00 0.00
60
+ ATOM 60 C PTH 1 93.14 84.22 39.22 0.00 0.00
61
+ ATOM 61 C PTH 1 93.14 84.22 40.22 0.00 0.00
62
+ ATOM 62 C PTH 1 93.14 84.22 41.22 0.00 0.00
63
+ ATOM 63 C PTH 1 93.14 84.22 42.22 0.00 0.00
64
+ ATOM 64 C PTH 1 93.14 84.22 43.22 0.00 0.00
65
+ ATOM 65 C PTH 1 93.14 85.22 39.22 0.00 0.00
66
+ ATOM 66 C PTH 1 93.14 85.22 40.22 0.00 0.00
67
+ ATOM 67 C PTH 1 93.14 85.22 41.22 0.00 0.00
68
+ ATOM 68 C PTH 1 93.14 85.22 42.22 0.00 0.00
69
+ ATOM 69 C PTH 1 93.14 85.22 43.22 0.00 0.00
70
+ ATOM 70 C PTH 1 94.14 79.22 38.22 0.00 0.00
71
+ ATOM 71 C PTH 1 94.14 79.22 39.22 0.00 0.00
72
+ ATOM 72 C PTH 1 94.14 80.22 38.22 0.00 0.00
73
+ ATOM 73 C PTH 1 94.14 80.22 39.22 0.00 0.00
74
+ ATOM 74 C PTH 1 94.14 80.22 40.22 0.00 0.00
75
+ ATOM 75 C PTH 1 94.14 80.22 41.22 0.00 0.00
76
+ ATOM 76 C PTH 1 94.14 81.22 37.22 0.00 0.00
77
+ ATOM 77 C PTH 1 94.14 81.22 38.22 0.00 0.00
78
+ ATOM 78 C PTH 1 94.14 81.22 39.22 0.00 0.00
79
+ ATOM 79 C PTH 1 94.14 81.22 40.22 0.00 0.00
80
+ ATOM 80 C PTH 1 94.14 81.22 41.22 0.00 0.00
81
+ ATOM 81 C PTH 1 94.14 81.22 42.22 0.00 0.00
82
+ ATOM 82 C PTH 1 94.14 82.22 37.22 0.00 0.00
83
+ ATOM 83 C PTH 1 94.14 82.22 38.22 0.00 0.00
84
+ ATOM 84 C PTH 1 94.14 82.22 39.22 0.00 0.00
85
+ ATOM 85 C PTH 1 94.14 82.22 40.22 0.00 0.00
86
+ ATOM 86 C PTH 1 94.14 82.22 41.22 0.00 0.00
87
+ ATOM 87 C PTH 1 94.14 82.22 42.22 0.00 0.00
88
+ ATOM 88 C PTH 1 94.14 82.22 43.22 0.00 0.00
89
+ ATOM 89 C PTH 1 94.14 83.22 38.22 0.00 0.00
90
+ ATOM 90 C PTH 1 94.14 83.22 39.22 0.00 0.00
91
+ ATOM 91 C PTH 1 94.14 83.22 40.22 0.00 0.00
92
+ ATOM 92 C PTH 1 94.14 83.22 41.22 0.00 0.00
93
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94
+ ATOM 94 C PTH 1 94.14 83.22 43.22 0.00 0.00
95
+ ATOM 95 C PTH 1 94.14 84.22 38.22 0.00 0.00
96
+ ATOM 96 C PTH 1 94.14 84.22 39.22 0.00 0.00
97
+ ATOM 97 C PTH 1 94.14 84.22 40.22 0.00 0.00
98
+ ATOM 98 C PTH 1 94.14 84.22 41.22 0.00 0.00
99
+ ATOM 99 C PTH 1 94.14 84.22 42.22 0.00 0.00
100
+ ATOM 100 C PTH 1 94.14 84.22 43.22 0.00 0.00
101
+ ATOM 101 C PTH 1 94.14 85.22 39.22 0.00 0.00
102
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103
+ ATOM 103 C PTH 1 94.14 85.22 41.22 0.00 0.00
104
+ ATOM 104 C PTH 1 94.14 85.22 42.22 0.00 0.00
105
+ ATOM 105 C PTH 1 94.14 85.22 43.22 0.00 0.00
106
+ ATOM 106 C PTH 1 95.14 79.22 38.22 0.00 0.00
107
+ ATOM 107 C PTH 1 95.14 79.22 39.22 0.00 0.00
108
+ ATOM 108 C PTH 1 95.14 80.22 38.22 0.00 0.00
109
+ ATOM 109 C PTH 1 95.14 80.22 39.22 0.00 0.00
110
+ ATOM 110 C PTH 1 95.14 80.22 40.22 0.00 0.00
111
+ ATOM 111 C PTH 1 95.14 81.22 38.22 0.00 0.00
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+ ATOM 112 C PTH 1 95.14 81.22 39.22 0.00 0.00
113
+ ATOM 113 C PTH 1 95.14 81.22 40.22 0.00 0.00
114
+ ATOM 114 C PTH 1 95.14 81.22 41.22 0.00 0.00
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+ ATOM 116 C PTH 1 95.14 81.22 43.22 0.00 0.00
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118
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+ ATOM 123 C PTH 1 95.14 83.22 38.22 0.00 0.00
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+ ATOM 125 C PTH 1 95.14 83.22 40.22 0.00 0.00
126
+ ATOM 126 C PTH 1 95.14 83.22 41.22 0.00 0.00
127
+ ATOM 127 C PTH 1 95.14 83.22 42.22 0.00 0.00
128
+ ATOM 128 C PTH 1 95.14 83.22 43.22 0.00 0.00
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130
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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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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
+ ATOM 150 C PTH 1 96.14 82.22 42.22 0.00 0.00
151
+ ATOM 151 C PTH 1 96.14 82.22 43.22 0.00 0.00
152
+ ATOM 152 C PTH 1 96.14 83.22 39.22 0.00 0.00
153
+ ATOM 153 C PTH 1 96.14 83.22 40.22 0.00 0.00
154
+ ATOM 154 C PTH 1 96.14 83.22 42.22 0.00 0.00
155
+ ATOM 155 C PTH 1 96.14 83.22 43.22 0.00 0.00
156
+ ATOM 156 C PTH 1 96.14 84.22 43.22 0.00 0.00
157
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158
+ ATOM 158 C PTH 1 97.14 79.22 38.22 0.00 0.00
159
+ ATOM 159 C PTH 1 97.14 79.22 39.22 0.00 0.00
160
+ ATOM 160 C PTH 1 97.14 80.22 38.22 0.00 0.00
161
+ ATOM 161 C PTH 1 97.14 80.22 39.22 0.00 0.00
162
+ ATOM 162 C PTH 1 97.14 80.22 40.22 0.00 0.00
163
+ ATOM 163 C PTH 1 97.14 81.22 38.22 0.00 0.00
164
+ ATOM 164 C PTH 1 97.14 81.22 39.22 0.00 0.00
165
+ ATOM 165 C PTH 1 97.14 81.22 40.22 0.00 0.00
166
+ ATOM 166 C PTH 1 97.14 82.22 39.22 0.00 0.00
167
+ ATOM 167 C PTH 1 97.14 82.22 40.22 0.00 0.00
data/files/A002F/pocket_04.pdb ADDED
@@ -0,0 +1,137 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 90.14 86.22 40.22 0.00 0.00
2
+ ATOM 2 C PTH 1 90.14 86.22 41.22 0.00 0.00
3
+ ATOM 3 C PTH 1 90.14 87.22 39.22 0.00 0.00
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7
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8
+ ATOM 8 C PTH 1 90.14 88.22 40.22 0.00 0.00
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+ ATOM 11 C PTH 1 90.14 89.22 39.22 0.00 0.00
12
+ ATOM 12 C PTH 1 90.14 89.22 40.22 0.00 0.00
13
+ ATOM 13 C PTH 1 90.14 89.22 41.22 0.00 0.00
14
+ ATOM 14 C PTH 1 90.14 89.22 42.22 0.00 0.00
15
+ ATOM 15 C PTH 1 91.14 85.22 40.22 0.00 0.00
16
+ ATOM 16 C PTH 1 91.14 86.22 39.22 0.00 0.00
17
+ ATOM 17 C PTH 1 91.14 86.22 40.22 0.00 0.00
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21
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22
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27
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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 92.14 86.22 39.22 0.00 0.00
35
+ ATOM 35 C PTH 1 92.14 86.22 40.22 0.00 0.00
36
+ ATOM 36 C PTH 1 92.14 86.22 41.22 0.00 0.00
37
+ ATOM 37 C PTH 1 92.14 86.22 42.22 0.00 0.00
38
+ ATOM 38 C PTH 1 92.14 86.22 43.22 0.00 0.00
39
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40
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47
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48
+ ATOM 48 C PTH 1 92.14 88.22 43.22 0.00 0.00
49
+ ATOM 49 C PTH 1 92.14 89.22 39.22 0.00 0.00
50
+ ATOM 50 C PTH 1 92.14 89.22 40.22 0.00 0.00
51
+ ATOM 51 C PTH 1 92.14 89.22 41.22 0.00 0.00
52
+ ATOM 52 C PTH 1 92.14 89.22 42.22 0.00 0.00
53
+ ATOM 53 C PTH 1 93.14 84.22 44.22 0.00 0.00
54
+ ATOM 54 C PTH 1 93.14 84.22 45.22 0.00 0.00
55
+ ATOM 55 C PTH 1 93.14 85.22 44.22 0.00 0.00
56
+ ATOM 56 C PTH 1 93.14 85.22 45.22 0.00 0.00
57
+ ATOM 57 C PTH 1 93.14 86.22 39.22 0.00 0.00
58
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59
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60
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61
+ ATOM 61 C PTH 1 93.14 86.22 43.22 0.00 0.00
62
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63
+ ATOM 63 C PTH 1 93.14 86.22 45.22 0.00 0.00
64
+ ATOM 64 C PTH 1 93.14 86.22 46.22 0.00 0.00
65
+ ATOM 65 C PTH 1 93.14 87.22 39.22 0.00 0.00
66
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67
+ ATOM 67 C PTH 1 93.14 87.22 41.22 0.00 0.00
68
+ ATOM 68 C PTH 1 93.14 87.22 42.22 0.00 0.00
69
+ ATOM 69 C PTH 1 93.14 87.22 43.22 0.00 0.00
70
+ ATOM 70 C PTH 1 93.14 88.22 39.22 0.00 0.00
71
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72
+ ATOM 72 C PTH 1 93.14 88.22 41.22 0.00 0.00
73
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74
+ ATOM 74 C PTH 1 93.14 88.22 43.22 0.00 0.00
75
+ ATOM 75 C PTH 1 93.14 89.22 39.22 0.00 0.00
76
+ ATOM 76 C PTH 1 93.14 89.22 40.22 0.00 0.00
77
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78
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79
+ ATOM 79 C PTH 1 94.14 82.22 44.22 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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94
+ ATOM 94 C PTH 1 94.14 86.22 43.22 0.00 0.00
95
+ ATOM 95 C PTH 1 94.14 86.22 44.22 0.00 0.00
96
+ ATOM 96 C PTH 1 94.14 86.22 45.22 0.00 0.00
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 94.14 87.22 42.22 0.00 0.00
102
+ ATOM 102 C PTH 1 94.14 87.22 43.22 0.00 0.00
103
+ ATOM 103 C PTH 1 94.14 88.22 39.22 0.00 0.00
104
+ ATOM 104 C PTH 1 94.14 88.22 40.22 0.00 0.00
105
+ ATOM 105 C PTH 1 94.14 88.22 41.22 0.00 0.00
106
+ ATOM 106 C PTH 1 94.14 88.22 42.22 0.00 0.00
107
+ ATOM 107 C PTH 1 94.14 89.22 40.22 0.00 0.00
108
+ ATOM 108 C PTH 1 94.14 89.22 41.22 0.00 0.00
109
+ ATOM 109 C PTH 1 95.14 82.22 44.22 0.00 0.00
110
+ ATOM 110 C PTH 1 95.14 82.22 45.22 0.00 0.00
111
+ ATOM 111 C PTH 1 95.14 82.22 46.22 0.00 0.00
112
+ ATOM 112 C PTH 1 95.14 83.22 44.22 0.00 0.00
113
+ ATOM 113 C PTH 1 95.14 83.22 45.22 0.00 0.00
114
+ ATOM 114 C PTH 1 95.14 83.22 46.22 0.00 0.00
115
+ ATOM 115 C PTH 1 95.14 84.22 44.22 0.00 0.00
116
+ ATOM 116 C PTH 1 95.14 84.22 45.22 0.00 0.00
117
+ ATOM 117 C PTH 1 95.14 84.22 46.22 0.00 0.00
118
+ ATOM 118 C PTH 1 95.14 85.22 44.22 0.00 0.00
119
+ ATOM 119 C PTH 1 95.14 85.22 45.22 0.00 0.00
120
+ ATOM 120 C PTH 1 95.14 85.22 46.22 0.00 0.00
121
+ ATOM 121 C PTH 1 95.14 86.22 41.22 0.00 0.00
122
+ ATOM 122 C PTH 1 95.14 86.22 42.22 0.00 0.00
123
+ ATOM 123 C PTH 1 95.14 86.22 43.22 0.00 0.00
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+ ATOM 124 C PTH 1 95.14 86.22 44.22 0.00 0.00
125
+ ATOM 125 C PTH 1 95.14 86.22 45.22 0.00 0.00
126
+ ATOM 126 C PTH 1 95.14 86.22 46.22 0.00 0.00
127
+ ATOM 127 C PTH 1 95.14 87.22 41.22 0.00 0.00
128
+ ATOM 128 C PTH 1 95.14 87.22 42.22 0.00 0.00
129
+ ATOM 129 C PTH 1 96.14 83.22 44.22 0.00 0.00
130
+ ATOM 130 C PTH 1 96.14 83.22 45.22 0.00 0.00
131
+ ATOM 131 C PTH 1 96.14 84.22 44.22 0.00 0.00
132
+ ATOM 132 C PTH 1 96.14 84.22 45.22 0.00 0.00
133
+ ATOM 133 C PTH 1 96.14 85.22 44.22 0.00 0.00
134
+ ATOM 134 C PTH 1 96.14 85.22 45.22 0.00 0.00
135
+ ATOM 135 C PTH 1 96.14 85.22 46.22 0.00 0.00
136
+ ATOM 136 C PTH 1 96.14 86.22 44.22 0.00 0.00
137
+ ATOM 137 C PTH 1 96.14 86.22 45.22 0.00 0.00
data/files/A002F/pocket_05.pdb ADDED
@@ -0,0 +1,103 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 86.14 73.22 33.22 0.00 0.00
2
+ ATOM 2 C PTH 1 86.14 73.22 34.22 0.00 0.00
3
+ ATOM 3 C PTH 1 86.14 74.22 33.22 0.00 0.00
4
+ ATOM 4 C PTH 1 86.14 74.22 34.22 0.00 0.00
5
+ ATOM 5 C PTH 1 86.14 77.22 35.22 0.00 0.00
6
+ ATOM 6 C PTH 1 86.14 77.22 36.22 0.00 0.00
7
+ ATOM 7 C PTH 1 86.14 78.22 35.22 0.00 0.00
8
+ ATOM 8 C PTH 1 86.14 78.22 36.22 0.00 0.00
9
+ ATOM 9 C PTH 1 87.14 73.22 32.22 0.00 0.00
10
+ ATOM 10 C PTH 1 87.14 73.22 33.22 0.00 0.00
11
+ ATOM 11 C PTH 1 87.14 73.22 34.22 0.00 0.00
12
+ ATOM 12 C PTH 1 87.14 74.22 32.22 0.00 0.00
13
+ ATOM 13 C PTH 1 87.14 74.22 33.22 0.00 0.00
14
+ ATOM 14 C PTH 1 87.14 74.22 34.22 0.00 0.00
15
+ ATOM 15 C PTH 1 87.14 74.22 35.22 0.00 0.00
16
+ ATOM 16 C PTH 1 87.14 75.22 32.22 0.00 0.00
17
+ ATOM 17 C PTH 1 87.14 75.22 33.22 0.00 0.00
18
+ ATOM 18 C PTH 1 87.14 75.22 34.22 0.00 0.00
19
+ ATOM 19 C PTH 1 87.14 75.22 35.22 0.00 0.00
20
+ ATOM 20 C PTH 1 87.14 76.22 31.22 0.00 0.00
21
+ ATOM 21 C PTH 1 87.14 76.22 32.22 0.00 0.00
22
+ ATOM 22 C PTH 1 87.14 76.22 33.22 0.00 0.00
23
+ ATOM 23 C PTH 1 87.14 76.22 34.22 0.00 0.00
24
+ ATOM 24 C PTH 1 87.14 76.22 35.22 0.00 0.00
25
+ ATOM 25 C PTH 1 87.14 77.22 31.22 0.00 0.00
26
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27
+ ATOM 27 C PTH 1 87.14 77.22 33.22 0.00 0.00
28
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29
+ ATOM 29 C PTH 1 87.14 77.22 35.22 0.00 0.00
30
+ ATOM 30 C PTH 1 87.14 77.22 36.22 0.00 0.00
31
+ ATOM 31 C PTH 1 87.14 78.22 32.22 0.00 0.00
32
+ ATOM 32 C PTH 1 87.14 78.22 33.22 0.00 0.00
33
+ ATOM 33 C PTH 1 87.14 78.22 34.22 0.00 0.00
34
+ ATOM 34 C PTH 1 87.14 78.22 35.22 0.00 0.00
35
+ ATOM 35 C PTH 1 87.14 78.22 36.22 0.00 0.00
36
+ ATOM 36 C PTH 1 88.14 73.22 32.22 0.00 0.00
37
+ ATOM 37 C PTH 1 88.14 73.22 33.22 0.00 0.00
38
+ ATOM 38 C PTH 1 88.14 73.22 34.22 0.00 0.00
39
+ ATOM 39 C PTH 1 88.14 74.22 32.22 0.00 0.00
40
+ ATOM 40 C PTH 1 88.14 74.22 33.22 0.00 0.00
41
+ ATOM 41 C PTH 1 88.14 74.22 34.22 0.00 0.00
42
+ ATOM 42 C PTH 1 88.14 74.22 35.22 0.00 0.00
43
+ ATOM 43 C PTH 1 88.14 75.22 31.22 0.00 0.00
44
+ ATOM 44 C PTH 1 88.14 75.22 32.22 0.00 0.00
45
+ ATOM 45 C PTH 1 88.14 75.22 33.22 0.00 0.00
46
+ ATOM 46 C PTH 1 88.14 75.22 34.22 0.00 0.00
47
+ ATOM 47 C PTH 1 88.14 75.22 35.22 0.00 0.00
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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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
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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
+ ATOM 88 C PTH 1 89.14 77.22 36.22 0.00 0.00
89
+ ATOM 89 C PTH 1 89.14 78.22 35.22 0.00 0.00
90
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91
+ ATOM 91 C PTH 1 90.14 74.22 34.22 0.00 0.00
92
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93
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94
+ ATOM 94 C PTH 1 90.14 75.22 34.22 0.00 0.00
95
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96
+ ATOM 96 C PTH 1 90.14 76.22 32.22 0.00 0.00
97
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98
+ ATOM 98 C PTH 1 90.14 76.22 34.22 0.00 0.00
99
+ ATOM 99 C PTH 1 90.14 76.22 35.22 0.00 0.00
100
+ ATOM 100 C PTH 1 90.14 77.22 32.22 0.00 0.00
101
+ ATOM 101 C PTH 1 90.14 77.22 35.22 0.00 0.00
102
+ ATOM 102 C PTH 1 90.14 77.22 36.22 0.00 0.00
103
+ ATOM 103 C PTH 1 90.14 78.22 36.22 0.00 0.00
data/files/A002F/pocket_07.pdb ADDED
@@ -0,0 +1,65 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 77.14 75.22 54.22 0.00 0.00
2
+ ATOM 2 C PTH 1 78.14 72.22 54.22 0.00 0.00
3
+ ATOM 3 C PTH 1 78.14 72.22 55.22 0.00 0.00
4
+ ATOM 4 C PTH 1 78.14 73.22 53.22 0.00 0.00
5
+ ATOM 5 C PTH 1 78.14 73.22 54.22 0.00 0.00
6
+ ATOM 6 C PTH 1 78.14 73.22 55.22 0.00 0.00
7
+ ATOM 7 C PTH 1 78.14 73.22 56.22 0.00 0.00
8
+ ATOM 8 C PTH 1 78.14 74.22 53.22 0.00 0.00
9
+ ATOM 9 C PTH 1 78.14 74.22 54.22 0.00 0.00
10
+ ATOM 10 C PTH 1 78.14 74.22 55.22 0.00 0.00
11
+ ATOM 11 C PTH 1 78.14 75.22 52.22 0.00 0.00
12
+ ATOM 12 C PTH 1 78.14 75.22 53.22 0.00 0.00
13
+ ATOM 13 C PTH 1 78.14 75.22 54.22 0.00 0.00
14
+ ATOM 14 C PTH 1 78.14 75.22 55.22 0.00 0.00
15
+ ATOM 15 C PTH 1 78.14 76.22 52.22 0.00 0.00
16
+ ATOM 16 C PTH 1 78.14 76.22 53.22 0.00 0.00
17
+ ATOM 17 C PTH 1 78.14 76.22 54.22 0.00 0.00
18
+ ATOM 18 C PTH 1 79.14 72.22 53.22 0.00 0.00
19
+ ATOM 19 C PTH 1 79.14 72.22 54.22 0.00 0.00
20
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21
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22
+ ATOM 22 C PTH 1 79.14 73.22 53.22 0.00 0.00
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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31
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32
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33
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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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47
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48
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49
+ ATOM 49 C PTH 1 80.14 75.22 52.22 0.00 0.00
50
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51
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52
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53
+ ATOM 53 C PTH 1 80.14 76.22 52.22 0.00 0.00
54
+ ATOM 54 C PTH 1 80.14 76.22 53.22 0.00 0.00
55
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56
+ ATOM 56 C PTH 1 81.14 72.22 54.22 0.00 0.00
57
+ ATOM 57 C PTH 1 81.14 72.22 55.22 0.00 0.00
58
+ ATOM 58 C PTH 1 81.14 73.22 53.22 0.00 0.00
59
+ ATOM 59 C PTH 1 81.14 73.22 54.22 0.00 0.00
60
+ ATOM 60 C PTH 1 81.14 73.22 55.22 0.00 0.00
61
+ ATOM 61 C PTH 1 81.14 74.22 53.22 0.00 0.00
62
+ ATOM 62 C PTH 1 81.14 74.22 54.22 0.00 0.00
63
+ ATOM 63 C PTH 1 81.14 74.22 55.22 0.00 0.00
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65
+ ATOM 65 C PTH 1 81.14 75.22 55.22 0.00 0.00
data/files/A002F/pocket_08.pdb ADDED
@@ -0,0 +1,60 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 85.14 78.22 37.22 0.00 0.00
2
+ ATOM 2 C PTH 1 85.14 79.22 37.22 0.00 0.00
3
+ ATOM 3 C PTH 1 85.14 79.22 38.22 0.00 0.00
4
+ ATOM 4 C PTH 1 86.14 77.22 37.22 0.00 0.00
5
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6
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7
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8
+ ATOM 8 C PTH 1 86.14 79.22 36.22 0.00 0.00
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
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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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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
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35
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36
+ ATOM 36 C PTH 1 88.14 80.22 36.22 0.00 0.00
37
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38
+ ATOM 38 C PTH 1 88.14 80.22 38.22 0.00 0.00
39
+ ATOM 39 C PTH 1 89.14 76.22 37.22 0.00 0.00
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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+ ATOM 45 C PTH 1 89.14 79.22 36.22 0.00 0.00
46
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47
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48
+ ATOM 48 C PTH 1 89.14 80.22 36.22 0.00 0.00
49
+ ATOM 49 C PTH 1 89.14 80.22 37.22 0.00 0.00
50
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51
+ ATOM 51 C PTH 1 89.14 80.22 39.22 0.00 0.00
52
+ ATOM 52 C PTH 1 90.14 76.22 37.22 0.00 0.00
53
+ ATOM 53 C PTH 1 90.14 77.22 37.22 0.00 0.00
54
+ ATOM 54 C PTH 1 90.14 78.22 37.22 0.00 0.00
55
+ ATOM 55 C PTH 1 90.14 78.22 38.22 0.00 0.00
56
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57
+ ATOM 57 C PTH 1 90.14 79.22 38.22 0.00 0.00
58
+ ATOM 58 C PTH 1 90.14 80.22 37.22 0.00 0.00
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+ ATOM 59 C PTH 1 90.14 80.22 38.22 0.00 0.00
60
+ ATOM 60 C PTH 1 90.14 80.22 39.22 0.00 0.00
data/files/A0040/pocket_01.pdb ADDED
@@ -0,0 +1,839 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 79.49 88.85 45.96 0.00 0.00
2
+ ATOM 2 C PTH 1 79.49 89.85 41.96 0.00 0.00
3
+ ATOM 3 C PTH 1 79.49 89.85 42.96 0.00 0.00
4
+ ATOM 4 C PTH 1 79.49 89.85 43.96 0.00 0.00
5
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6
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7
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8
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10
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11
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+ ATOM 12 C PTH 1 79.49 91.85 44.96 0.00 0.00
13
+ ATOM 13 C PTH 1 80.49 87.85 42.96 0.00 0.00
14
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15
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16
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17
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18
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22
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25
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31
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33
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34
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35
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55
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63
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64
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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
+ ATOM 71 C PTH 1 82.49 87.85 44.96 0.00 0.00
72
+ ATOM 72 C PTH 1 82.49 87.85 45.96 0.00 0.00
73
+ ATOM 73 C PTH 1 82.49 87.85 46.96 0.00 0.00
74
+ ATOM 74 C PTH 1 82.49 87.85 47.96 0.00 0.00
75
+ ATOM 75 C PTH 1 82.49 87.85 48.96 0.00 0.00
76
+ ATOM 76 C PTH 1 82.49 87.85 49.96 0.00 0.00
77
+ ATOM 77 C PTH 1 82.49 87.85 50.96 0.00 0.00
78
+ ATOM 78 C PTH 1 82.49 88.85 40.96 0.00 0.00
79
+ ATOM 79 C PTH 1 82.49 88.85 41.96 0.00 0.00
80
+ ATOM 80 C PTH 1 82.49 88.85 42.96 0.00 0.00
81
+ ATOM 81 C PTH 1 82.49 88.85 43.96 0.00 0.00
82
+ ATOM 82 C PTH 1 82.49 88.85 44.96 0.00 0.00
83
+ ATOM 83 C PTH 1 82.49 88.85 45.96 0.00 0.00
84
+ ATOM 84 C PTH 1 82.49 88.85 46.96 0.00 0.00
85
+ ATOM 85 C PTH 1 82.49 88.85 47.96 0.00 0.00
86
+ ATOM 86 C PTH 1 82.49 88.85 48.96 0.00 0.00
87
+ ATOM 87 C PTH 1 82.49 88.85 49.96 0.00 0.00
88
+ ATOM 88 C PTH 1 82.49 88.85 50.96 0.00 0.00
89
+ ATOM 89 C PTH 1 82.49 88.85 51.96 0.00 0.00
90
+ ATOM 90 C PTH 1 82.49 89.85 40.96 0.00 0.00
91
+ ATOM 91 C PTH 1 82.49 89.85 41.96 0.00 0.00
92
+ ATOM 92 C PTH 1 82.49 89.85 42.96 0.00 0.00
93
+ ATOM 93 C PTH 1 82.49 89.85 43.96 0.00 0.00
94
+ ATOM 94 C PTH 1 82.49 89.85 44.96 0.00 0.00
95
+ ATOM 95 C PTH 1 82.49 89.85 45.96 0.00 0.00
96
+ ATOM 96 C PTH 1 82.49 89.85 46.96 0.00 0.00
97
+ ATOM 97 C PTH 1 82.49 89.85 47.96 0.00 0.00
98
+ ATOM 98 C PTH 1 82.49 89.85 48.96 0.00 0.00
99
+ ATOM 99 C PTH 1 82.49 89.85 49.96 0.00 0.00
100
+ ATOM 100 C PTH 1 82.49 89.85 50.96 0.00 0.00
101
+ ATOM 101 C PTH 1 82.49 89.85 51.96 0.00 0.00
102
+ ATOM 102 C PTH 1 82.49 90.85 41.96 0.00 0.00
103
+ ATOM 103 C PTH 1 82.49 90.85 42.96 0.00 0.00
104
+ ATOM 104 C PTH 1 82.49 90.85 43.96 0.00 0.00
105
+ ATOM 105 C PTH 1 82.49 90.85 44.96 0.00 0.00
106
+ ATOM 106 C PTH 1 82.49 90.85 45.96 0.00 0.00
107
+ ATOM 107 C PTH 1 82.49 90.85 46.96 0.00 0.00
108
+ ATOM 108 C PTH 1 82.49 90.85 47.96 0.00 0.00
109
+ ATOM 109 C PTH 1 82.49 90.85 48.96 0.00 0.00
110
+ ATOM 110 C PTH 1 82.49 90.85 49.96 0.00 0.00
111
+ ATOM 111 C PTH 1 82.49 90.85 50.96 0.00 0.00
112
+ ATOM 112 C PTH 1 82.49 90.85 51.96 0.00 0.00
113
+ ATOM 113 C PTH 1 82.49 91.85 43.96 0.00 0.00
114
+ ATOM 114 C PTH 1 82.49 91.85 44.96 0.00 0.00
115
+ ATOM 115 C PTH 1 82.49 91.85 45.96 0.00 0.00
116
+ ATOM 116 C PTH 1 82.49 91.85 46.96 0.00 0.00
117
+ ATOM 117 C PTH 1 82.49 91.85 47.96 0.00 0.00
118
+ ATOM 118 C PTH 1 82.49 91.85 48.96 0.00 0.00
119
+ ATOM 119 C PTH 1 83.49 85.85 40.96 0.00 0.00
120
+ ATOM 120 C PTH 1 83.49 85.85 41.96 0.00 0.00
121
+ ATOM 121 C PTH 1 83.49 86.85 40.96 0.00 0.00
122
+ ATOM 122 C PTH 1 83.49 86.85 41.96 0.00 0.00
123
+ ATOM 123 C PTH 1 83.49 86.85 42.96 0.00 0.00
124
+ ATOM 124 C PTH 1 83.49 86.85 43.96 0.00 0.00
125
+ ATOM 125 C PTH 1 83.49 86.85 44.96 0.00 0.00
126
+ ATOM 126 C PTH 1 83.49 86.85 45.96 0.00 0.00
127
+ ATOM 127 C PTH 1 83.49 86.85 46.96 0.00 0.00
128
+ ATOM 128 C PTH 1 83.49 86.85 47.96 0.00 0.00
129
+ ATOM 129 C PTH 1 83.49 86.85 48.96 0.00 0.00
130
+ ATOM 130 C PTH 1 83.49 86.85 49.96 0.00 0.00
131
+ ATOM 131 C PTH 1 83.49 86.85 50.96 0.00 0.00
132
+ ATOM 132 C PTH 1 83.49 86.85 51.96 0.00 0.00
133
+ ATOM 133 C PTH 1 83.49 87.85 40.96 0.00 0.00
134
+ ATOM 134 C PTH 1 83.49 87.85 41.96 0.00 0.00
135
+ ATOM 135 C PTH 1 83.49 87.85 42.96 0.00 0.00
136
+ ATOM 136 C PTH 1 83.49 87.85 43.96 0.00 0.00
137
+ ATOM 137 C PTH 1 83.49 87.85 44.96 0.00 0.00
138
+ ATOM 138 C PTH 1 83.49 87.85 45.96 0.00 0.00
139
+ ATOM 139 C PTH 1 83.49 87.85 46.96 0.00 0.00
140
+ ATOM 140 C PTH 1 83.49 87.85 47.96 0.00 0.00
141
+ ATOM 141 C PTH 1 83.49 87.85 48.96 0.00 0.00
142
+ ATOM 142 C PTH 1 83.49 87.85 49.96 0.00 0.00
143
+ ATOM 143 C PTH 1 83.49 87.85 50.96 0.00 0.00
144
+ ATOM 144 C PTH 1 83.49 87.85 51.96 0.00 0.00
145
+ ATOM 145 C PTH 1 83.49 88.85 40.96 0.00 0.00
146
+ ATOM 146 C PTH 1 83.49 88.85 41.96 0.00 0.00
147
+ ATOM 147 C PTH 1 83.49 88.85 42.96 0.00 0.00
148
+ ATOM 148 C PTH 1 83.49 88.85 43.96 0.00 0.00
149
+ ATOM 149 C PTH 1 83.49 88.85 44.96 0.00 0.00
150
+ ATOM 150 C PTH 1 83.49 88.85 45.96 0.00 0.00
151
+ ATOM 151 C PTH 1 83.49 88.85 46.96 0.00 0.00
152
+ ATOM 152 C PTH 1 83.49 88.85 47.96 0.00 0.00
153
+ ATOM 153 C PTH 1 83.49 88.85 48.96 0.00 0.00
154
+ ATOM 154 C PTH 1 83.49 88.85 49.96 0.00 0.00
155
+ ATOM 155 C PTH 1 83.49 88.85 50.96 0.00 0.00
156
+ ATOM 156 C PTH 1 83.49 88.85 51.96 0.00 0.00
157
+ ATOM 157 C PTH 1 83.49 88.85 52.96 0.00 0.00
158
+ ATOM 158 C PTH 1 83.49 89.85 40.96 0.00 0.00
159
+ ATOM 159 C PTH 1 83.49 89.85 41.96 0.00 0.00
160
+ ATOM 160 C PTH 1 83.49 89.85 42.96 0.00 0.00
161
+ ATOM 161 C PTH 1 83.49 89.85 43.96 0.00 0.00
162
+ ATOM 162 C PTH 1 83.49 89.85 44.96 0.00 0.00
163
+ ATOM 163 C PTH 1 83.49 89.85 45.96 0.00 0.00
164
+ ATOM 164 C PTH 1 83.49 89.85 46.96 0.00 0.00
165
+ ATOM 165 C PTH 1 83.49 89.85 47.96 0.00 0.00
166
+ ATOM 166 C PTH 1 83.49 89.85 48.96 0.00 0.00
167
+ ATOM 167 C PTH 1 83.49 89.85 49.96 0.00 0.00
168
+ ATOM 168 C PTH 1 83.49 89.85 50.96 0.00 0.00
169
+ ATOM 169 C PTH 1 83.49 89.85 51.96 0.00 0.00
170
+ ATOM 170 C PTH 1 83.49 89.85 52.96 0.00 0.00
171
+ ATOM 171 C PTH 1 83.49 90.85 40.96 0.00 0.00
172
+ ATOM 172 C PTH 1 83.49 90.85 41.96 0.00 0.00
173
+ ATOM 173 C PTH 1 83.49 90.85 42.96 0.00 0.00
174
+ ATOM 174 C PTH 1 83.49 90.85 43.96 0.00 0.00
175
+ ATOM 175 C PTH 1 83.49 90.85 44.96 0.00 0.00
176
+ ATOM 176 C PTH 1 83.49 90.85 45.96 0.00 0.00
177
+ ATOM 177 C PTH 1 83.49 90.85 46.96 0.00 0.00
178
+ ATOM 178 C PTH 1 83.49 90.85 47.96 0.00 0.00
179
+ ATOM 179 C PTH 1 83.49 90.85 48.96 0.00 0.00
180
+ ATOM 180 C PTH 1 83.49 90.85 49.96 0.00 0.00
181
+ ATOM 181 C PTH 1 83.49 90.85 50.96 0.00 0.00
182
+ ATOM 182 C PTH 1 83.49 90.85 51.96 0.00 0.00
183
+ ATOM 183 C PTH 1 83.49 90.85 52.96 0.00 0.00
184
+ ATOM 184 C PTH 1 83.49 91.85 43.96 0.00 0.00
185
+ ATOM 185 C PTH 1 83.49 91.85 44.96 0.00 0.00
186
+ ATOM 186 C PTH 1 83.49 91.85 45.96 0.00 0.00
187
+ ATOM 187 C PTH 1 83.49 91.85 46.96 0.00 0.00
188
+ ATOM 188 C PTH 1 83.49 91.85 47.96 0.00 0.00
189
+ ATOM 189 C PTH 1 83.49 91.85 48.96 0.00 0.00
190
+ ATOM 190 C PTH 1 83.49 91.85 49.96 0.00 0.00
191
+ ATOM 191 C PTH 1 83.49 91.85 50.96 0.00 0.00
192
+ ATOM 192 C PTH 1 83.49 91.85 51.96 0.00 0.00
193
+ ATOM 193 C PTH 1 83.49 91.85 52.96 0.00 0.00
194
+ ATOM 194 C PTH 1 84.49 85.85 40.96 0.00 0.00
195
+ ATOM 195 C PTH 1 84.49 85.85 41.96 0.00 0.00
196
+ ATOM 196 C PTH 1 84.49 85.85 45.96 0.00 0.00
197
+ ATOM 197 C PTH 1 84.49 85.85 46.96 0.00 0.00
198
+ ATOM 198 C PTH 1 84.49 85.85 47.96 0.00 0.00
199
+ ATOM 199 C PTH 1 84.49 85.85 48.96 0.00 0.00
200
+ ATOM 200 C PTH 1 84.49 85.85 49.96 0.00 0.00
201
+ ATOM 201 C PTH 1 84.49 85.85 50.96 0.00 0.00
202
+ ATOM 202 C PTH 1 84.49 86.85 39.96 0.00 0.00
203
+ ATOM 203 C PTH 1 84.49 86.85 40.96 0.00 0.00
204
+ ATOM 204 C PTH 1 84.49 86.85 41.96 0.00 0.00
205
+ ATOM 205 C PTH 1 84.49 86.85 42.96 0.00 0.00
206
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207
+ ATOM 207 C PTH 1 84.49 86.85 44.96 0.00 0.00
208
+ ATOM 208 C PTH 1 84.49 86.85 45.96 0.00 0.00
209
+ ATOM 209 C PTH 1 84.49 86.85 46.96 0.00 0.00
210
+ ATOM 210 C PTH 1 84.49 86.85 47.96 0.00 0.00
211
+ ATOM 211 C PTH 1 84.49 86.85 48.96 0.00 0.00
212
+ ATOM 212 C PTH 1 84.49 86.85 49.96 0.00 0.00
213
+ ATOM 213 C PTH 1 84.49 86.85 50.96 0.00 0.00
214
+ ATOM 214 C PTH 1 84.49 86.85 51.96 0.00 0.00
215
+ ATOM 215 C PTH 1 84.49 87.85 40.96 0.00 0.00
216
+ ATOM 216 C PTH 1 84.49 87.85 41.96 0.00 0.00
217
+ ATOM 217 C PTH 1 84.49 87.85 42.96 0.00 0.00
218
+ ATOM 218 C PTH 1 84.49 87.85 43.96 0.00 0.00
219
+ ATOM 219 C PTH 1 84.49 87.85 44.96 0.00 0.00
220
+ ATOM 220 C PTH 1 84.49 87.85 45.96 0.00 0.00
221
+ ATOM 221 C PTH 1 84.49 87.85 46.96 0.00 0.00
222
+ ATOM 222 C PTH 1 84.49 87.85 47.96 0.00 0.00
223
+ ATOM 223 C PTH 1 84.49 87.85 48.96 0.00 0.00
224
+ ATOM 224 C PTH 1 84.49 87.85 49.96 0.00 0.00
225
+ ATOM 225 C PTH 1 84.49 87.85 50.96 0.00 0.00
226
+ ATOM 226 C PTH 1 84.49 87.85 51.96 0.00 0.00
227
+ ATOM 227 C PTH 1 84.49 88.85 40.96 0.00 0.00
228
+ ATOM 228 C PTH 1 84.49 88.85 41.96 0.00 0.00
229
+ ATOM 229 C PTH 1 84.49 88.85 42.96 0.00 0.00
230
+ ATOM 230 C PTH 1 84.49 88.85 43.96 0.00 0.00
231
+ ATOM 231 C PTH 1 84.49 88.85 44.96 0.00 0.00
232
+ ATOM 232 C PTH 1 84.49 88.85 45.96 0.00 0.00
233
+ ATOM 233 C PTH 1 84.49 88.85 46.96 0.00 0.00
234
+ ATOM 234 C PTH 1 84.49 88.85 47.96 0.00 0.00
235
+ ATOM 235 C PTH 1 84.49 88.85 48.96 0.00 0.00
236
+ ATOM 236 C PTH 1 84.49 88.85 49.96 0.00 0.00
237
+ ATOM 237 C PTH 1 84.49 88.85 50.96 0.00 0.00
238
+ ATOM 238 C PTH 1 84.49 88.85 51.96 0.00 0.00
239
+ ATOM 239 C PTH 1 84.49 88.85 52.96 0.00 0.00
240
+ ATOM 240 C PTH 1 84.49 88.85 53.96 0.00 0.00
241
+ ATOM 241 C PTH 1 84.49 89.85 40.96 0.00 0.00
242
+ ATOM 242 C PTH 1 84.49 89.85 41.96 0.00 0.00
243
+ ATOM 243 C PTH 1 84.49 89.85 42.96 0.00 0.00
244
+ ATOM 244 C PTH 1 84.49 89.85 43.96 0.00 0.00
245
+ ATOM 245 C PTH 1 84.49 89.85 44.96 0.00 0.00
246
+ ATOM 246 C PTH 1 84.49 89.85 45.96 0.00 0.00
247
+ ATOM 247 C PTH 1 84.49 89.85 46.96 0.00 0.00
248
+ ATOM 248 C PTH 1 84.49 89.85 47.96 0.00 0.00
249
+ ATOM 249 C PTH 1 84.49 89.85 48.96 0.00 0.00
250
+ ATOM 250 C PTH 1 84.49 89.85 49.96 0.00 0.00
251
+ ATOM 251 C PTH 1 84.49 89.85 50.96 0.00 0.00
252
+ ATOM 252 C PTH 1 84.49 89.85 51.96 0.00 0.00
253
+ ATOM 253 C PTH 1 84.49 89.85 52.96 0.00 0.00
254
+ ATOM 254 C PTH 1 84.49 89.85 53.96 0.00 0.00
255
+ ATOM 255 C PTH 1 84.49 89.85 54.96 0.00 0.00
256
+ ATOM 256 C PTH 1 84.49 90.85 40.96 0.00 0.00
257
+ ATOM 257 C PTH 1 84.49 90.85 41.96 0.00 0.00
258
+ ATOM 258 C PTH 1 84.49 90.85 42.96 0.00 0.00
259
+ ATOM 259 C PTH 1 84.49 90.85 43.96 0.00 0.00
260
+ ATOM 260 C PTH 1 84.49 90.85 44.96 0.00 0.00
261
+ ATOM 261 C PTH 1 84.49 90.85 45.96 0.00 0.00
262
+ ATOM 262 C PTH 1 84.49 90.85 46.96 0.00 0.00
263
+ ATOM 263 C PTH 1 84.49 90.85 47.96 0.00 0.00
264
+ ATOM 264 C PTH 1 84.49 90.85 48.96 0.00 0.00
265
+ ATOM 265 C PTH 1 84.49 90.85 49.96 0.00 0.00
266
+ ATOM 266 C PTH 1 84.49 90.85 50.96 0.00 0.00
267
+ ATOM 267 C PTH 1 84.49 90.85 51.96 0.00 0.00
268
+ ATOM 268 C PTH 1 84.49 90.85 52.96 0.00 0.00
269
+ ATOM 269 C PTH 1 84.49 90.85 53.96 0.00 0.00
270
+ ATOM 270 C PTH 1 84.49 90.85 54.96 0.00 0.00
271
+ ATOM 271 C PTH 1 84.49 91.85 43.96 0.00 0.00
272
+ ATOM 272 C PTH 1 84.49 91.85 44.96 0.00 0.00
273
+ ATOM 273 C PTH 1 84.49 91.85 45.96 0.00 0.00
274
+ ATOM 274 C PTH 1 84.49 91.85 46.96 0.00 0.00
275
+ ATOM 275 C PTH 1 84.49 91.85 47.96 0.00 0.00
276
+ ATOM 276 C PTH 1 84.49 91.85 48.96 0.00 0.00
277
+ ATOM 277 C PTH 1 84.49 91.85 49.96 0.00 0.00
278
+ ATOM 278 C PTH 1 84.49 91.85 50.96 0.00 0.00
279
+ ATOM 279 C PTH 1 84.49 91.85 51.96 0.00 0.00
280
+ ATOM 280 C PTH 1 84.49 91.85 52.96 0.00 0.00
281
+ ATOM 281 C PTH 1 84.49 91.85 53.96 0.00 0.00
282
+ ATOM 282 C PTH 1 85.49 84.85 48.96 0.00 0.00
283
+ ATOM 283 C PTH 1 85.49 85.85 45.96 0.00 0.00
284
+ ATOM 284 C PTH 1 85.49 85.85 46.96 0.00 0.00
285
+ ATOM 285 C PTH 1 85.49 85.85 47.96 0.00 0.00
286
+ ATOM 286 C PTH 1 85.49 85.85 48.96 0.00 0.00
287
+ ATOM 287 C PTH 1 85.49 85.85 49.96 0.00 0.00
288
+ ATOM 288 C PTH 1 85.49 85.85 50.96 0.00 0.00
289
+ ATOM 289 C PTH 1 85.49 85.85 51.96 0.00 0.00
290
+ ATOM 290 C PTH 1 85.49 86.85 40.96 0.00 0.00
291
+ ATOM 291 C PTH 1 85.49 86.85 41.96 0.00 0.00
292
+ ATOM 292 C PTH 1 85.49 86.85 42.96 0.00 0.00
293
+ ATOM 293 C PTH 1 85.49 86.85 43.96 0.00 0.00
294
+ ATOM 294 C PTH 1 85.49 86.85 44.96 0.00 0.00
295
+ ATOM 295 C PTH 1 85.49 86.85 45.96 0.00 0.00
296
+ ATOM 296 C PTH 1 85.49 86.85 46.96 0.00 0.00
297
+ ATOM 297 C PTH 1 85.49 86.85 47.96 0.00 0.00
298
+ ATOM 298 C PTH 1 85.49 86.85 48.96 0.00 0.00
299
+ ATOM 299 C PTH 1 85.49 86.85 49.96 0.00 0.00
300
+ ATOM 300 C PTH 1 85.49 86.85 50.96 0.00 0.00
301
+ ATOM 301 C PTH 1 85.49 86.85 51.96 0.00 0.00
302
+ ATOM 302 C PTH 1 85.49 86.85 52.96 0.00 0.00
303
+ ATOM 303 C PTH 1 85.49 86.85 53.96 0.00 0.00
304
+ ATOM 304 C PTH 1 85.49 86.85 54.96 0.00 0.00
305
+ ATOM 305 C PTH 1 85.49 87.85 40.96 0.00 0.00
306
+ ATOM 306 C PTH 1 85.49 87.85 41.96 0.00 0.00
307
+ ATOM 307 C PTH 1 85.49 87.85 42.96 0.00 0.00
308
+ ATOM 308 C PTH 1 85.49 87.85 43.96 0.00 0.00
309
+ ATOM 309 C PTH 1 85.49 87.85 44.96 0.00 0.00
310
+ ATOM 310 C PTH 1 85.49 87.85 45.96 0.00 0.00
311
+ ATOM 311 C PTH 1 85.49 87.85 46.96 0.00 0.00
312
+ ATOM 312 C PTH 1 85.49 87.85 47.96 0.00 0.00
313
+ ATOM 313 C PTH 1 85.49 87.85 48.96 0.00 0.00
314
+ ATOM 314 C PTH 1 85.49 87.85 49.96 0.00 0.00
315
+ ATOM 315 C PTH 1 85.49 87.85 50.96 0.00 0.00
316
+ ATOM 316 C PTH 1 85.49 87.85 51.96 0.00 0.00
317
+ ATOM 317 C PTH 1 85.49 87.85 52.96 0.00 0.00
318
+ ATOM 318 C PTH 1 85.49 87.85 53.96 0.00 0.00
319
+ ATOM 319 C PTH 1 85.49 87.85 54.96 0.00 0.00
320
+ ATOM 320 C PTH 1 85.49 88.85 40.96 0.00 0.00
321
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322
+ ATOM 322 C PTH 1 85.49 88.85 42.96 0.00 0.00
323
+ ATOM 323 C PTH 1 85.49 88.85 43.96 0.00 0.00
324
+ ATOM 324 C PTH 1 85.49 88.85 44.96 0.00 0.00
325
+ ATOM 325 C PTH 1 85.49 88.85 45.96 0.00 0.00
326
+ ATOM 326 C PTH 1 85.49 88.85 46.96 0.00 0.00
327
+ ATOM 327 C PTH 1 85.49 88.85 47.96 0.00 0.00
328
+ ATOM 328 C PTH 1 85.49 88.85 48.96 0.00 0.00
329
+ ATOM 329 C PTH 1 85.49 88.85 49.96 0.00 0.00
330
+ ATOM 330 C PTH 1 85.49 88.85 50.96 0.00 0.00
331
+ ATOM 331 C PTH 1 85.49 88.85 51.96 0.00 0.00
332
+ ATOM 332 C PTH 1 85.49 88.85 52.96 0.00 0.00
333
+ ATOM 333 C PTH 1 85.49 88.85 53.96 0.00 0.00
334
+ ATOM 334 C PTH 1 85.49 88.85 54.96 0.00 0.00
335
+ ATOM 335 C PTH 1 85.49 88.85 55.96 0.00 0.00
336
+ ATOM 336 C PTH 1 85.49 89.85 40.96 0.00 0.00
337
+ ATOM 337 C PTH 1 85.49 89.85 41.96 0.00 0.00
338
+ ATOM 338 C PTH 1 85.49 89.85 42.96 0.00 0.00
339
+ ATOM 339 C PTH 1 85.49 89.85 43.96 0.00 0.00
340
+ ATOM 340 C PTH 1 85.49 89.85 44.96 0.00 0.00
341
+ ATOM 341 C PTH 1 85.49 89.85 45.96 0.00 0.00
342
+ ATOM 342 C PTH 1 85.49 89.85 46.96 0.00 0.00
343
+ ATOM 343 C PTH 1 85.49 89.85 47.96 0.00 0.00
344
+ ATOM 344 C PTH 1 85.49 89.85 48.96 0.00 0.00
345
+ ATOM 345 C PTH 1 85.49 89.85 49.96 0.00 0.00
346
+ ATOM 346 C PTH 1 85.49 89.85 50.96 0.00 0.00
347
+ ATOM 347 C PTH 1 85.49 89.85 51.96 0.00 0.00
348
+ ATOM 348 C PTH 1 85.49 89.85 52.96 0.00 0.00
349
+ ATOM 349 C PTH 1 85.49 89.85 53.96 0.00 0.00
350
+ ATOM 350 C PTH 1 85.49 89.85 54.96 0.00 0.00
351
+ ATOM 351 C PTH 1 85.49 89.85 55.96 0.00 0.00
352
+ ATOM 352 C PTH 1 85.49 90.85 41.96 0.00 0.00
353
+ ATOM 353 C PTH 1 85.49 90.85 42.96 0.00 0.00
354
+ ATOM 354 C PTH 1 85.49 90.85 43.96 0.00 0.00
355
+ ATOM 355 C PTH 1 85.49 90.85 44.96 0.00 0.00
356
+ ATOM 356 C PTH 1 85.49 90.85 45.96 0.00 0.00
357
+ ATOM 357 C PTH 1 85.49 90.85 46.96 0.00 0.00
358
+ ATOM 358 C PTH 1 85.49 90.85 47.96 0.00 0.00
359
+ ATOM 359 C PTH 1 85.49 90.85 48.96 0.00 0.00
360
+ ATOM 360 C PTH 1 85.49 90.85 49.96 0.00 0.00
361
+ ATOM 361 C PTH 1 85.49 90.85 50.96 0.00 0.00
362
+ ATOM 362 C PTH 1 85.49 90.85 51.96 0.00 0.00
363
+ ATOM 363 C PTH 1 85.49 90.85 52.96 0.00 0.00
364
+ ATOM 364 C PTH 1 85.49 90.85 53.96 0.00 0.00
365
+ ATOM 365 C PTH 1 85.49 90.85 54.96 0.00 0.00
366
+ ATOM 366 C PTH 1 85.49 91.85 43.96 0.00 0.00
367
+ ATOM 367 C PTH 1 85.49 91.85 44.96 0.00 0.00
368
+ ATOM 368 C PTH 1 85.49 91.85 45.96 0.00 0.00
369
+ ATOM 369 C PTH 1 85.49 91.85 46.96 0.00 0.00
370
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371
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372
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373
+ ATOM 373 C PTH 1 85.49 91.85 51.96 0.00 0.00
374
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375
+ ATOM 375 C PTH 1 85.49 91.85 53.96 0.00 0.00
376
+ ATOM 376 C PTH 1 85.49 91.85 54.96 0.00 0.00
377
+ ATOM 377 C PTH 1 86.49 84.85 47.96 0.00 0.00
378
+ ATOM 378 C PTH 1 86.49 84.85 48.96 0.00 0.00
379
+ ATOM 379 C PTH 1 86.49 85.85 45.96 0.00 0.00
380
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381
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382
+ ATOM 382 C PTH 1 86.49 85.85 48.96 0.00 0.00
383
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384
+ ATOM 384 C PTH 1 86.49 85.85 50.96 0.00 0.00
385
+ ATOM 385 C PTH 1 86.49 85.85 51.96 0.00 0.00
386
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387
+ ATOM 387 C PTH 1 86.49 85.85 53.96 0.00 0.00
388
+ ATOM 388 C PTH 1 86.49 85.85 54.96 0.00 0.00
389
+ ATOM 389 C PTH 1 86.49 86.85 43.96 0.00 0.00
390
+ ATOM 390 C PTH 1 86.49 86.85 44.96 0.00 0.00
391
+ ATOM 391 C PTH 1 86.49 86.85 45.96 0.00 0.00
392
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393
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394
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395
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396
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397
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398
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399
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400
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401
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402
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403
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404
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405
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406
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407
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408
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409
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410
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411
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412
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413
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414
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415
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416
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417
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418
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419
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420
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421
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422
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423
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424
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425
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426
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427
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428
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429
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430
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431
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432
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433
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434
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435
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436
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437
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438
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439
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440
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441
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442
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443
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444
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445
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446
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447
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448
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449
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450
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451
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452
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453
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454
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455
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456
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457
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458
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459
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460
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461
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462
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463
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464
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465
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466
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467
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468
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469
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470
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471
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472
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473
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474
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475
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476
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477
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478
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479
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480
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481
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482
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483
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484
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485
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486
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487
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488
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489
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490
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491
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492
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493
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494
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495
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496
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497
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498
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499
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500
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501
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502
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503
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504
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505
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506
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507
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508
+ ATOM 508 C PTH 1 87.49 89.85 44.96 0.00 0.00
509
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510
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511
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512
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513
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514
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515
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516
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517
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518
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519
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520
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521
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522
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523
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524
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525
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526
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527
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528
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529
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530
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531
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532
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533
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534
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535
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536
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537
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538
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539
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540
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541
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542
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543
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544
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545
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546
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547
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548
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549
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550
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551
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552
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553
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554
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555
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556
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557
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558
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559
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560
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561
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562
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563
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564
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565
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566
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567
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568
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569
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570
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571
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572
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573
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574
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575
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576
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577
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578
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579
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580
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581
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582
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583
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584
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585
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586
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587
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588
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589
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590
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591
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592
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593
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594
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595
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596
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597
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598
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599
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600
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601
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602
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603
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604
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605
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606
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607
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608
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609
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610
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611
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612
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613
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614
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615
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616
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617
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618
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619
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620
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621
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622
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623
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624
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625
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626
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627
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628
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629
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630
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631
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632
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633
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634
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635
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636
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637
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638
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639
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640
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641
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642
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643
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644
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645
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646
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647
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648
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649
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650
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651
+ ATOM 651 C PTH 1 89.49 88.85 53.96 0.00 0.00
652
+ ATOM 652 C PTH 1 89.49 88.85 54.96 0.00 0.00
653
+ ATOM 653 C PTH 1 89.49 88.85 55.96 0.00 0.00
654
+ ATOM 654 C PTH 1 89.49 88.85 56.96 0.00 0.00
655
+ ATOM 655 C PTH 1 89.49 88.85 57.96 0.00 0.00
656
+ ATOM 656 C PTH 1 89.49 89.85 48.96 0.00 0.00
657
+ ATOM 657 C PTH 1 89.49 89.85 49.96 0.00 0.00
658
+ ATOM 658 C PTH 1 89.49 89.85 50.96 0.00 0.00
659
+ ATOM 659 C PTH 1 89.49 89.85 51.96 0.00 0.00
660
+ ATOM 660 C PTH 1 89.49 89.85 52.96 0.00 0.00
661
+ ATOM 661 C PTH 1 89.49 89.85 53.96 0.00 0.00
662
+ ATOM 662 C PTH 1 89.49 89.85 54.96 0.00 0.00
663
+ ATOM 663 C PTH 1 89.49 89.85 55.96 0.00 0.00
664
+ ATOM 664 C PTH 1 89.49 89.85 56.96 0.00 0.00
665
+ ATOM 665 C PTH 1 89.49 89.85 57.96 0.00 0.00
666
+ ATOM 666 C PTH 1 89.49 90.85 49.96 0.00 0.00
667
+ ATOM 667 C PTH 1 89.49 90.85 50.96 0.00 0.00
668
+ ATOM 668 C PTH 1 89.49 90.85 51.96 0.00 0.00
669
+ ATOM 669 C PTH 1 89.49 90.85 52.96 0.00 0.00
670
+ ATOM 670 C PTH 1 89.49 90.85 53.96 0.00 0.00
671
+ ATOM 671 C PTH 1 89.49 90.85 54.96 0.00 0.00
672
+ ATOM 672 C PTH 1 89.49 90.85 55.96 0.00 0.00
673
+ ATOM 673 C PTH 1 89.49 90.85 56.96 0.00 0.00
674
+ ATOM 674 C PTH 1 89.49 90.85 57.96 0.00 0.00
675
+ ATOM 675 C PTH 1 89.49 91.85 49.96 0.00 0.00
676
+ ATOM 676 C PTH 1 89.49 91.85 50.96 0.00 0.00
677
+ ATOM 677 C PTH 1 89.49 91.85 51.96 0.00 0.00
678
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679
+ ATOM 679 C PTH 1 89.49 91.85 53.96 0.00 0.00
680
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681
+ ATOM 681 C PTH 1 89.49 91.85 55.96 0.00 0.00
682
+ ATOM 682 C PTH 1 89.49 91.85 56.96 0.00 0.00
683
+ ATOM 683 C PTH 1 89.49 92.85 50.96 0.00 0.00
684
+ ATOM 684 C PTH 1 89.49 92.85 51.96 0.00 0.00
685
+ ATOM 685 C PTH 1 89.49 92.85 52.96 0.00 0.00
686
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687
+ ATOM 687 C PTH 1 89.49 92.85 54.96 0.00 0.00
688
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689
+ ATOM 689 C PTH 1 90.49 86.85 50.96 0.00 0.00
690
+ ATOM 690 C PTH 1 90.49 86.85 51.96 0.00 0.00
691
+ ATOM 691 C PTH 1 90.49 86.85 52.96 0.00 0.00
692
+ ATOM 692 C PTH 1 90.49 86.85 53.96 0.00 0.00
693
+ ATOM 693 C PTH 1 90.49 86.85 54.96 0.00 0.00
694
+ ATOM 694 C PTH 1 90.49 86.85 55.96 0.00 0.00
695
+ ATOM 695 C PTH 1 90.49 86.85 56.96 0.00 0.00
696
+ ATOM 696 C PTH 1 90.49 86.85 57.96 0.00 0.00
697
+ ATOM 697 C PTH 1 90.49 87.85 48.96 0.00 0.00
698
+ ATOM 698 C PTH 1 90.49 87.85 49.96 0.00 0.00
699
+ ATOM 699 C PTH 1 90.49 87.85 50.96 0.00 0.00
700
+ ATOM 700 C PTH 1 90.49 87.85 51.96 0.00 0.00
701
+ ATOM 701 C PTH 1 90.49 87.85 52.96 0.00 0.00
702
+ ATOM 702 C PTH 1 90.49 87.85 53.96 0.00 0.00
703
+ ATOM 703 C PTH 1 90.49 87.85 54.96 0.00 0.00
704
+ ATOM 704 C PTH 1 90.49 87.85 55.96 0.00 0.00
705
+ ATOM 705 C PTH 1 90.49 87.85 56.96 0.00 0.00
706
+ ATOM 706 C PTH 1 90.49 87.85 57.96 0.00 0.00
707
+ ATOM 707 C PTH 1 90.49 88.85 48.96 0.00 0.00
708
+ ATOM 708 C PTH 1 90.49 88.85 49.96 0.00 0.00
709
+ ATOM 709 C PTH 1 90.49 88.85 50.96 0.00 0.00
710
+ ATOM 710 C PTH 1 90.49 88.85 51.96 0.00 0.00
711
+ ATOM 711 C PTH 1 90.49 88.85 52.96 0.00 0.00
712
+ ATOM 712 C PTH 1 90.49 88.85 53.96 0.00 0.00
713
+ ATOM 713 C PTH 1 90.49 88.85 54.96 0.00 0.00
714
+ ATOM 714 C PTH 1 90.49 88.85 55.96 0.00 0.00
715
+ ATOM 715 C PTH 1 90.49 88.85 56.96 0.00 0.00
716
+ ATOM 716 C PTH 1 90.49 88.85 57.96 0.00 0.00
717
+ ATOM 717 C PTH 1 90.49 89.85 48.96 0.00 0.00
718
+ ATOM 718 C PTH 1 90.49 89.85 49.96 0.00 0.00
719
+ ATOM 719 C PTH 1 90.49 89.85 50.96 0.00 0.00
720
+ ATOM 720 C PTH 1 90.49 89.85 51.96 0.00 0.00
721
+ ATOM 721 C PTH 1 90.49 89.85 52.96 0.00 0.00
722
+ ATOM 722 C PTH 1 90.49 89.85 53.96 0.00 0.00
723
+ ATOM 723 C PTH 1 90.49 89.85 54.96 0.00 0.00
724
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725
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726
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727
+ ATOM 727 C PTH 1 90.49 90.85 49.96 0.00 0.00
728
+ ATOM 728 C PTH 1 90.49 90.85 50.96 0.00 0.00
729
+ ATOM 729 C PTH 1 90.49 90.85 51.96 0.00 0.00
730
+ ATOM 730 C PTH 1 90.49 90.85 52.96 0.00 0.00
731
+ ATOM 731 C PTH 1 90.49 90.85 53.96 0.00 0.00
732
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733
+ ATOM 733 C PTH 1 90.49 90.85 55.96 0.00 0.00
734
+ ATOM 734 C PTH 1 90.49 90.85 56.96 0.00 0.00
735
+ ATOM 735 C PTH 1 90.49 90.85 57.96 0.00 0.00
736
+ ATOM 736 C PTH 1 90.49 91.85 49.96 0.00 0.00
737
+ ATOM 737 C PTH 1 90.49 91.85 50.96 0.00 0.00
738
+ ATOM 738 C PTH 1 90.49 91.85 51.96 0.00 0.00
739
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740
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741
+ ATOM 741 C PTH 1 90.49 92.85 49.96 0.00 0.00
742
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743
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744
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745
+ ATOM 745 C PTH 1 91.49 86.85 53.96 0.00 0.00
746
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747
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748
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749
+ ATOM 749 C PTH 1 91.49 86.85 57.96 0.00 0.00
750
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751
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752
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753
+ ATOM 753 C PTH 1 91.49 87.85 52.96 0.00 0.00
754
+ ATOM 754 C PTH 1 91.49 87.85 53.96 0.00 0.00
755
+ ATOM 755 C PTH 1 91.49 87.85 54.96 0.00 0.00
756
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757
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758
+ ATOM 758 C PTH 1 91.49 87.85 57.96 0.00 0.00
759
+ ATOM 759 C PTH 1 91.49 88.85 49.96 0.00 0.00
760
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761
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762
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763
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764
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765
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766
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767
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768
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769
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770
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771
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772
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773
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774
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775
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776
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777
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778
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779
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780
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781
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782
+ ATOM 782 C PTH 1 91.49 90.85 54.96 0.00 0.00
783
+ ATOM 783 C PTH 1 91.49 91.85 49.96 0.00 0.00
784
+ ATOM 784 C PTH 1 91.49 91.85 50.96 0.00 0.00
785
+ ATOM 785 C PTH 1 91.49 91.85 51.96 0.00 0.00
786
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787
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788
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789
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790
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791
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792
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793
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794
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795
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796
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797
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798
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799
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800
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801
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802
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803
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804
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805
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806
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807
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808
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809
+ ATOM 809 C PTH 1 92.49 88.85 55.96 0.00 0.00
810
+ ATOM 810 C PTH 1 92.49 88.85 56.96 0.00 0.00
811
+ ATOM 811 C PTH 1 92.49 88.85 57.96 0.00 0.00
812
+ ATOM 812 C PTH 1 92.49 89.85 49.96 0.00 0.00
813
+ ATOM 813 C PTH 1 92.49 89.85 50.96 0.00 0.00
814
+ ATOM 814 C PTH 1 92.49 89.85 51.96 0.00 0.00
815
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816
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817
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818
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819
+ ATOM 819 C PTH 1 92.49 89.85 56.96 0.00 0.00
820
+ ATOM 820 C PTH 1 92.49 90.85 49.96 0.00 0.00
821
+ ATOM 821 C PTH 1 92.49 90.85 50.96 0.00 0.00
822
+ ATOM 822 C PTH 1 92.49 90.85 51.96 0.00 0.00
823
+ ATOM 823 C PTH 1 92.49 90.85 52.96 0.00 0.00
824
+ ATOM 824 C PTH 1 92.49 90.85 53.96 0.00 0.00
825
+ ATOM 825 C PTH 1 92.49 91.85 50.96 0.00 0.00
826
+ ATOM 826 C PTH 1 92.49 91.85 51.96 0.00 0.00
827
+ ATOM 827 C PTH 1 92.49 91.85 52.96 0.00 0.00
828
+ ATOM 828 C PTH 1 93.49 86.85 55.96 0.00 0.00
829
+ ATOM 829 C PTH 1 93.49 86.85 56.96 0.00 0.00
830
+ ATOM 830 C PTH 1 93.49 87.85 53.96 0.00 0.00
831
+ ATOM 831 C PTH 1 93.49 87.85 54.96 0.00 0.00
832
+ ATOM 832 C PTH 1 93.49 87.85 55.96 0.00 0.00
833
+ ATOM 833 C PTH 1 93.49 87.85 56.96 0.00 0.00
834
+ ATOM 834 C PTH 1 93.49 88.85 53.96 0.00 0.00
835
+ ATOM 835 C PTH 1 93.49 88.85 54.96 0.00 0.00
836
+ ATOM 836 C PTH 1 93.49 88.85 55.96 0.00 0.00
837
+ ATOM 837 C PTH 1 93.49 88.85 56.96 0.00 0.00
838
+ ATOM 838 C PTH 1 93.49 89.85 54.96 0.00 0.00
839
+ ATOM 839 C PTH 1 93.49 89.85 55.96 0.00 0.00
data/files/A0040/pocket_05.pdb ADDED
@@ -0,0 +1,184 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 77.49 75.85 55.96 0.00 0.00
2
+ ATOM 2 C PTH 1 77.49 75.85 56.96 0.00 0.00
3
+ ATOM 3 C PTH 1 77.49 75.85 57.96 0.00 0.00
4
+ ATOM 4 C PTH 1 77.49 76.85 55.96 0.00 0.00
5
+ ATOM 5 C PTH 1 77.49 76.85 56.96 0.00 0.00
6
+ ATOM 6 C PTH 1 77.49 76.85 57.96 0.00 0.00
7
+ ATOM 7 C PTH 1 77.49 77.85 55.96 0.00 0.00
8
+ ATOM 8 C PTH 1 77.49 77.85 56.96 0.00 0.00
9
+ ATOM 9 C PTH 1 78.49 75.85 54.96 0.00 0.00
10
+ ATOM 10 C PTH 1 78.49 75.85 55.96 0.00 0.00
11
+ ATOM 11 C PTH 1 78.49 75.85 56.96 0.00 0.00
12
+ ATOM 12 C PTH 1 78.49 75.85 57.96 0.00 0.00
13
+ ATOM 13 C PTH 1 78.49 76.85 54.96 0.00 0.00
14
+ ATOM 14 C PTH 1 78.49 76.85 55.96 0.00 0.00
15
+ ATOM 15 C PTH 1 78.49 76.85 56.96 0.00 0.00
16
+ ATOM 16 C PTH 1 78.49 76.85 57.96 0.00 0.00
17
+ ATOM 17 C PTH 1 78.49 77.85 55.96 0.00 0.00
18
+ ATOM 18 C PTH 1 78.49 77.85 56.96 0.00 0.00
19
+ ATOM 19 C PTH 1 78.49 77.85 57.96 0.00 0.00
20
+ ATOM 20 C PTH 1 79.49 75.85 54.96 0.00 0.00
21
+ ATOM 21 C PTH 1 79.49 75.85 55.96 0.00 0.00
22
+ ATOM 22 C PTH 1 79.49 75.85 56.96 0.00 0.00
23
+ ATOM 23 C PTH 1 79.49 75.85 57.96 0.00 0.00
24
+ ATOM 24 C PTH 1 79.49 75.85 58.96 0.00 0.00
25
+ ATOM 25 C PTH 1 79.49 76.85 54.96 0.00 0.00
26
+ ATOM 26 C PTH 1 79.49 76.85 55.96 0.00 0.00
27
+ ATOM 27 C PTH 1 79.49 76.85 56.96 0.00 0.00
28
+ ATOM 28 C PTH 1 79.49 76.85 57.96 0.00 0.00
29
+ ATOM 29 C PTH 1 79.49 76.85 58.96 0.00 0.00
30
+ ATOM 30 C PTH 1 79.49 77.85 55.96 0.00 0.00
31
+ ATOM 31 C PTH 1 79.49 77.85 56.96 0.00 0.00
32
+ ATOM 32 C PTH 1 79.49 77.85 57.96 0.00 0.00
33
+ ATOM 33 C PTH 1 79.49 77.85 58.96 0.00 0.00
34
+ ATOM 34 C PTH 1 79.49 78.85 55.96 0.00 0.00
35
+ ATOM 35 C PTH 1 79.49 78.85 56.96 0.00 0.00
36
+ ATOM 36 C PTH 1 79.49 78.85 57.96 0.00 0.00
37
+ ATOM 37 C PTH 1 80.49 75.85 55.96 0.00 0.00
38
+ ATOM 38 C PTH 1 80.49 75.85 56.96 0.00 0.00
39
+ ATOM 39 C PTH 1 80.49 75.85 57.96 0.00 0.00
40
+ ATOM 40 C PTH 1 80.49 75.85 58.96 0.00 0.00
41
+ ATOM 41 C PTH 1 80.49 76.85 55.96 0.00 0.00
42
+ ATOM 42 C PTH 1 80.49 76.85 56.96 0.00 0.00
43
+ ATOM 43 C PTH 1 80.49 76.85 57.96 0.00 0.00
44
+ ATOM 44 C PTH 1 80.49 76.85 58.96 0.00 0.00
45
+ ATOM 45 C PTH 1 80.49 77.85 55.96 0.00 0.00
46
+ ATOM 46 C PTH 1 80.49 77.85 56.96 0.00 0.00
47
+ ATOM 47 C PTH 1 80.49 77.85 57.96 0.00 0.00
48
+ ATOM 48 C PTH 1 80.49 77.85 58.96 0.00 0.00
49
+ ATOM 49 C PTH 1 80.49 77.85 59.96 0.00 0.00
50
+ ATOM 50 C PTH 1 80.49 78.85 55.96 0.00 0.00
51
+ ATOM 51 C PTH 1 80.49 78.85 56.96 0.00 0.00
52
+ ATOM 52 C PTH 1 80.49 78.85 57.96 0.00 0.00
53
+ ATOM 53 C PTH 1 80.49 78.85 58.96 0.00 0.00
54
+ ATOM 54 C PTH 1 80.49 79.85 57.96 0.00 0.00
55
+ ATOM 55 C PTH 1 81.49 76.85 55.96 0.00 0.00
56
+ ATOM 56 C PTH 1 81.49 76.85 56.96 0.00 0.00
57
+ ATOM 57 C PTH 1 81.49 76.85 57.96 0.00 0.00
58
+ ATOM 58 C PTH 1 81.49 76.85 58.96 0.00 0.00
59
+ ATOM 59 C PTH 1 81.49 77.85 55.96 0.00 0.00
60
+ ATOM 60 C PTH 1 81.49 77.85 56.96 0.00 0.00
61
+ ATOM 61 C PTH 1 81.49 77.85 57.96 0.00 0.00
62
+ ATOM 62 C PTH 1 81.49 77.85 58.96 0.00 0.00
63
+ ATOM 63 C PTH 1 81.49 77.85 59.96 0.00 0.00
64
+ ATOM 64 C PTH 1 81.49 78.85 55.96 0.00 0.00
65
+ ATOM 65 C PTH 1 81.49 78.85 56.96 0.00 0.00
66
+ ATOM 66 C PTH 1 81.49 78.85 57.96 0.00 0.00
67
+ ATOM 67 C PTH 1 81.49 78.85 58.96 0.00 0.00
68
+ ATOM 68 C PTH 1 81.49 78.85 59.96 0.00 0.00
69
+ ATOM 69 C PTH 1 81.49 79.85 55.96 0.00 0.00
70
+ ATOM 70 C PTH 1 81.49 79.85 56.96 0.00 0.00
71
+ ATOM 71 C PTH 1 81.49 79.85 57.96 0.00 0.00
72
+ ATOM 72 C PTH 1 81.49 79.85 58.96 0.00 0.00
73
+ ATOM 73 C PTH 1 82.49 76.85 56.96 0.00 0.00
74
+ ATOM 74 C PTH 1 82.49 76.85 57.96 0.00 0.00
75
+ ATOM 75 C PTH 1 82.49 76.85 58.96 0.00 0.00
76
+ ATOM 76 C PTH 1 82.49 77.85 56.96 0.00 0.00
77
+ ATOM 77 C PTH 1 82.49 77.85 57.96 0.00 0.00
78
+ ATOM 78 C PTH 1 82.49 77.85 58.96 0.00 0.00
79
+ ATOM 79 C PTH 1 82.49 77.85 59.96 0.00 0.00
80
+ ATOM 80 C PTH 1 82.49 78.85 55.96 0.00 0.00
81
+ ATOM 81 C PTH 1 82.49 78.85 56.96 0.00 0.00
82
+ ATOM 82 C PTH 1 82.49 78.85 57.96 0.00 0.00
83
+ ATOM 83 C PTH 1 82.49 78.85 58.96 0.00 0.00
84
+ ATOM 84 C PTH 1 82.49 78.85 59.96 0.00 0.00
85
+ ATOM 85 C PTH 1 82.49 78.85 60.96 0.00 0.00
86
+ ATOM 86 C PTH 1 82.49 79.85 55.96 0.00 0.00
87
+ ATOM 87 C PTH 1 82.49 79.85 56.96 0.00 0.00
88
+ ATOM 88 C PTH 1 82.49 79.85 57.96 0.00 0.00
89
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184
+ ATOM 184 C PTH 1 87.49 82.85 61.96 0.00 0.00
data/files/A0040/pocket_07.pdb ADDED
@@ -0,0 +1,98 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 69.49 96.85 37.96 0.00 0.00
2
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98
+ ATOM 98 C PTH 1 75.49 96.85 40.96 0.00 0.00
data/files/A0040/pocket_09.pdb ADDED
@@ -0,0 +1,87 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 52.49 75.85 18.96 0.00 0.00
2
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3
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+ ATOM 87 C PTH 1 57.49 76.85 20.96 0.00 0.00
data/files/A0040/pocket_10.pdb ADDED
@@ -0,0 +1,78 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 100.49 81.85 52.96 0.00 0.00
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+ ATOM 78 C PTH 1 104.49 84.85 54.96 0.00 0.00
data/files/A0042/pocket_05.pdb ADDED
@@ -0,0 +1,74 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 67.42 72.24 44.07 0.00 0.00
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+ ATOM 74 C PTH 1 71.42 75.24 45.07 0.00 0.00
data/files/A005X/pocket_01.pdb ADDED
@@ -0,0 +1,150 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 -6.98 33.42 22.88 0.00 0.00
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data/files/A005X/pocket_02.pdb ADDED
@@ -0,0 +1,148 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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data/files/A005X/pocket_09.pdb ADDED
@@ -0,0 +1,68 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A005X/pocket_10.pdb ADDED
@@ -0,0 +1,65 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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+ ATOM 27 C PTH 1 12.02 38.42 41.88 0.00 0.00
28
+ ATOM 28 C PTH 1 12.02 39.42 39.88 0.00 0.00
29
+ ATOM 29 C PTH 1 12.02 39.42 40.88 0.00 0.00
30
+ ATOM 30 C PTH 1 13.02 36.42 39.88 0.00 0.00
31
+ ATOM 31 C PTH 1 13.02 36.42 40.88 0.00 0.00
32
+ ATOM 32 C PTH 1 13.02 36.42 41.88 0.00 0.00
33
+ ATOM 33 C PTH 1 13.02 37.42 38.88 0.00 0.00
34
+ ATOM 34 C PTH 1 13.02 37.42 39.88 0.00 0.00
35
+ ATOM 35 C PTH 1 13.02 37.42 40.88 0.00 0.00
36
+ ATOM 36 C PTH 1 13.02 37.42 41.88 0.00 0.00
37
+ ATOM 37 C PTH 1 13.02 38.42 39.88 0.00 0.00
38
+ ATOM 38 C PTH 1 13.02 38.42 40.88 0.00 0.00
39
+ ATOM 39 C PTH 1 13.02 38.42 41.88 0.00 0.00
40
+ ATOM 40 C PTH 1 13.02 39.42 39.88 0.00 0.00
41
+ ATOM 41 C PTH 1 13.02 39.42 40.88 0.00 0.00
42
+ ATOM 42 C PTH 1 14.02 35.42 41.88 0.00 0.00
43
+ ATOM 43 C PTH 1 14.02 36.42 39.88 0.00 0.00
44
+ ATOM 44 C PTH 1 14.02 36.42 40.88 0.00 0.00
45
+ ATOM 45 C PTH 1 14.02 36.42 41.88 0.00 0.00
46
+ ATOM 46 C PTH 1 14.02 37.42 38.88 0.00 0.00
47
+ ATOM 47 C PTH 1 14.02 37.42 39.88 0.00 0.00
48
+ ATOM 48 C PTH 1 14.02 37.42 40.88 0.00 0.00
49
+ ATOM 49 C PTH 1 14.02 37.42 41.88 0.00 0.00
50
+ ATOM 50 C PTH 1 14.02 38.42 39.88 0.00 0.00
51
+ ATOM 51 C PTH 1 14.02 38.42 40.88 0.00 0.00
52
+ ATOM 52 C PTH 1 14.02 38.42 41.88 0.00 0.00
53
+ ATOM 53 C PTH 1 14.02 39.42 39.88 0.00 0.00
54
+ ATOM 54 C PTH 1 14.02 39.42 40.88 0.00 0.00
55
+ ATOM 55 C PTH 1 14.02 39.42 41.88 0.00 0.00
56
+ ATOM 56 C PTH 1 15.02 35.42 41.88 0.00 0.00
57
+ ATOM 57 C PTH 1 15.02 36.42 40.88 0.00 0.00
58
+ ATOM 58 C PTH 1 15.02 36.42 41.88 0.00 0.00
59
+ ATOM 59 C PTH 1 15.02 37.42 39.88 0.00 0.00
60
+ ATOM 60 C PTH 1 15.02 37.42 40.88 0.00 0.00
61
+ ATOM 61 C PTH 1 15.02 37.42 41.88 0.00 0.00
62
+ ATOM 62 C PTH 1 15.02 38.42 39.88 0.00 0.00
63
+ ATOM 63 C PTH 1 15.02 38.42 40.88 0.00 0.00
64
+ ATOM 64 C PTH 1 15.02 39.42 39.88 0.00 0.00
65
+ ATOM 65 C PTH 1 15.02 39.42 40.88 0.00 0.00
data/files/A005X/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A0065/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A0076/pocket_04.pdb ADDED
@@ -0,0 +1,254 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 87.46 107.93 35.71 0.00 0.00
2
+ ATOM 2 C PTH 1 87.46 107.93 36.71 0.00 0.00
3
+ ATOM 3 C PTH 1 87.46 108.93 34.71 0.00 0.00
4
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5
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7
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+ ATOM 11 C PTH 1 88.46 107.93 33.71 0.00 0.00
12
+ ATOM 12 C PTH 1 88.46 107.93 34.71 0.00 0.00
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+ ATOM 13 C PTH 1 88.46 107.93 35.71 0.00 0.00
14
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15
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16
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17
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18
+ ATOM 18 C PTH 1 88.46 108.93 35.71 0.00 0.00
19
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21
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23
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24
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+ ATOM 25 C PTH 1 88.46 110.93 35.71 0.00 0.00
26
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28
+ ATOM 28 C PTH 1 89.46 104.93 34.71 0.00 0.00
29
+ ATOM 29 C PTH 1 89.46 104.93 35.71 0.00 0.00
30
+ ATOM 30 C PTH 1 89.46 105.93 33.71 0.00 0.00
31
+ ATOM 31 C PTH 1 89.46 105.93 34.71 0.00 0.00
32
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33
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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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41
+ ATOM 41 C PTH 1 89.46 107.93 33.71 0.00 0.00
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43
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46
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47
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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
+ ATOM 59 C PTH 1 89.46 110.93 35.71 0.00 0.00
60
+ ATOM 60 C PTH 1 89.46 110.93 36.71 0.00 0.00
61
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62
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63
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64
+ ATOM 64 C PTH 1 89.46 111.93 36.71 0.00 0.00
65
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66
+ ATOM 66 C PTH 1 89.46 111.93 38.71 0.00 0.00
67
+ ATOM 67 C PTH 1 89.46 111.93 39.71 0.00 0.00
68
+ ATOM 68 C PTH 1 89.46 112.93 37.71 0.00 0.00
69
+ ATOM 69 C PTH 1 89.46 112.93 38.71 0.00 0.00
70
+ ATOM 70 C PTH 1 89.46 112.93 39.71 0.00 0.00
71
+ ATOM 71 C PTH 1 90.46 103.93 34.71 0.00 0.00
72
+ ATOM 72 C PTH 1 90.46 103.93 35.71 0.00 0.00
73
+ ATOM 73 C PTH 1 90.46 104.93 33.71 0.00 0.00
74
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75
+ ATOM 75 C PTH 1 90.46 104.93 35.71 0.00 0.00
76
+ ATOM 76 C PTH 1 90.46 104.93 36.71 0.00 0.00
77
+ ATOM 77 C PTH 1 90.46 105.93 33.71 0.00 0.00
78
+ ATOM 78 C PTH 1 90.46 105.93 34.71 0.00 0.00
79
+ ATOM 79 C PTH 1 90.46 105.93 35.71 0.00 0.00
80
+ ATOM 80 C PTH 1 90.46 105.93 36.71 0.00 0.00
81
+ ATOM 81 C PTH 1 90.46 105.93 37.71 0.00 0.00
82
+ ATOM 82 C PTH 1 90.46 106.93 33.71 0.00 0.00
83
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84
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85
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86
+ ATOM 86 C PTH 1 90.46 106.93 37.71 0.00 0.00
87
+ ATOM 87 C PTH 1 90.46 106.93 38.71 0.00 0.00
88
+ ATOM 88 C PTH 1 90.46 107.93 33.71 0.00 0.00
89
+ ATOM 89 C PTH 1 90.46 107.93 34.71 0.00 0.00
90
+ ATOM 90 C PTH 1 90.46 107.93 35.71 0.00 0.00
91
+ ATOM 91 C PTH 1 90.46 107.93 36.71 0.00 0.00
92
+ ATOM 92 C PTH 1 90.46 107.93 37.71 0.00 0.00
93
+ ATOM 93 C PTH 1 90.46 107.93 38.71 0.00 0.00
94
+ ATOM 94 C PTH 1 90.46 107.93 39.71 0.00 0.00
95
+ ATOM 95 C PTH 1 90.46 108.93 33.71 0.00 0.00
96
+ ATOM 96 C PTH 1 90.46 108.93 34.71 0.00 0.00
97
+ ATOM 97 C PTH 1 90.46 108.93 35.71 0.00 0.00
98
+ ATOM 98 C PTH 1 90.46 108.93 36.71 0.00 0.00
99
+ ATOM 99 C PTH 1 90.46 108.93 37.71 0.00 0.00
100
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101
+ ATOM 101 C PTH 1 90.46 108.93 39.71 0.00 0.00
102
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103
+ ATOM 103 C PTH 1 90.46 109.93 35.71 0.00 0.00
104
+ ATOM 104 C PTH 1 90.46 109.93 36.71 0.00 0.00
105
+ ATOM 105 C PTH 1 90.46 109.93 37.71 0.00 0.00
106
+ ATOM 106 C PTH 1 90.46 109.93 38.71 0.00 0.00
107
+ ATOM 107 C PTH 1 90.46 109.93 39.71 0.00 0.00
108
+ ATOM 108 C PTH 1 90.46 110.93 35.71 0.00 0.00
109
+ ATOM 109 C PTH 1 90.46 110.93 36.71 0.00 0.00
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
+ ATOM 126 C PTH 1 91.46 103.93 33.71 0.00 0.00
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
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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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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
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177
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178
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179
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180
+ ATOM 180 C PTH 1 92.46 102.93 33.71 0.00 0.00
181
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182
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183
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184
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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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190
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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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198
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199
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200
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201
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202
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203
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204
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205
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206
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207
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208
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209
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210
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211
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212
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213
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214
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215
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216
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217
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218
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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
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227
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228
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229
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230
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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
+ ATOM 237 C PTH 1 93.46 106.93 36.71 0.00 0.00
238
+ ATOM 238 C PTH 1 93.46 109.93 38.71 0.00 0.00
239
+ ATOM 239 C PTH 1 93.46 109.93 39.71 0.00 0.00
240
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241
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data/files/A0076/pocket_07.pdb ADDED
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data/files/A007W/pocket_02.pdb ADDED
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76
+ ATOM 76 C PTH 1 108.05 89.79 39.25 0.00 0.00
77
+ ATOM 77 C PTH 1 108.05 89.79 40.25 0.00 0.00
78
+ ATOM 78 C PTH 1 108.05 89.79 41.25 0.00 0.00
79
+ ATOM 79 C PTH 1 108.05 89.79 42.25 0.00 0.00
80
+ ATOM 80 C PTH 1 108.05 89.79 43.25 0.00 0.00
81
+ ATOM 81 C PTH 1 108.05 89.79 44.25 0.00 0.00
82
+ ATOM 82 C PTH 1 108.05 89.79 45.25 0.00 0.00
83
+ ATOM 83 C PTH 1 108.05 89.79 46.25 0.00 0.00
84
+ ATOM 84 C PTH 1 108.05 90.79 41.25 0.00 0.00
85
+ ATOM 85 C PTH 1 108.05 90.79 42.25 0.00 0.00
86
+ ATOM 86 C PTH 1 108.05 90.79 43.25 0.00 0.00
87
+ ATOM 87 C PTH 1 108.05 90.79 44.25 0.00 0.00
88
+ ATOM 88 C PTH 1 108.05 90.79 45.25 0.00 0.00
89
+ ATOM 89 C PTH 1 108.05 90.79 46.25 0.00 0.00
90
+ ATOM 90 C PTH 1 109.05 85.79 39.25 0.00 0.00
91
+ ATOM 91 C PTH 1 109.05 85.79 40.25 0.00 0.00
92
+ ATOM 92 C PTH 1 109.05 85.79 41.25 0.00 0.00
93
+ ATOM 93 C PTH 1 109.05 85.79 42.25 0.00 0.00
94
+ ATOM 94 C PTH 1 109.05 86.79 39.25 0.00 0.00
95
+ ATOM 95 C PTH 1 109.05 86.79 40.25 0.00 0.00
96
+ ATOM 96 C PTH 1 109.05 86.79 41.25 0.00 0.00
97
+ ATOM 97 C PTH 1 109.05 86.79 42.25 0.00 0.00
98
+ ATOM 98 C PTH 1 109.05 86.79 43.25 0.00 0.00
99
+ ATOM 99 C PTH 1 109.05 86.79 44.25 0.00 0.00
100
+ ATOM 100 C PTH 1 109.05 86.79 45.25 0.00 0.00
101
+ ATOM 101 C PTH 1 109.05 86.79 46.25 0.00 0.00
102
+ ATOM 102 C PTH 1 109.05 87.79 38.25 0.00 0.00
103
+ ATOM 103 C PTH 1 109.05 87.79 39.25 0.00 0.00
104
+ ATOM 104 C PTH 1 109.05 87.79 40.25 0.00 0.00
105
+ ATOM 105 C PTH 1 109.05 87.79 41.25 0.00 0.00
106
+ ATOM 106 C PTH 1 109.05 87.79 42.25 0.00 0.00
107
+ ATOM 107 C PTH 1 109.05 87.79 43.25 0.00 0.00
108
+ ATOM 108 C PTH 1 109.05 87.79 44.25 0.00 0.00
109
+ ATOM 109 C PTH 1 109.05 87.79 45.25 0.00 0.00
110
+ ATOM 110 C PTH 1 109.05 87.79 46.25 0.00 0.00
111
+ ATOM 111 C PTH 1 109.05 88.79 38.25 0.00 0.00
112
+ ATOM 112 C PTH 1 109.05 88.79 39.25 0.00 0.00
113
+ ATOM 113 C PTH 1 109.05 88.79 40.25 0.00 0.00
114
+ ATOM 114 C PTH 1 109.05 88.79 41.25 0.00 0.00
115
+ ATOM 115 C PTH 1 109.05 88.79 42.25 0.00 0.00
116
+ ATOM 116 C PTH 1 109.05 88.79 43.25 0.00 0.00
117
+ ATOM 117 C PTH 1 109.05 88.79 44.25 0.00 0.00
118
+ ATOM 118 C PTH 1 109.05 88.79 45.25 0.00 0.00
119
+ ATOM 119 C PTH 1 109.05 88.79 46.25 0.00 0.00
120
+ ATOM 120 C PTH 1 109.05 89.79 39.25 0.00 0.00
121
+ ATOM 121 C PTH 1 109.05 89.79 40.25 0.00 0.00
122
+ ATOM 122 C PTH 1 109.05 89.79 41.25 0.00 0.00
123
+ ATOM 123 C PTH 1 109.05 89.79 42.25 0.00 0.00
124
+ ATOM 124 C PTH 1 109.05 89.79 43.25 0.00 0.00
125
+ ATOM 125 C PTH 1 109.05 89.79 44.25 0.00 0.00
126
+ ATOM 126 C PTH 1 109.05 89.79 45.25 0.00 0.00
127
+ ATOM 127 C PTH 1 109.05 89.79 46.25 0.00 0.00
128
+ ATOM 128 C PTH 1 109.05 90.79 41.25 0.00 0.00
129
+ ATOM 129 C PTH 1 109.05 90.79 42.25 0.00 0.00
130
+ ATOM 130 C PTH 1 109.05 90.79 43.25 0.00 0.00
131
+ ATOM 131 C PTH 1 109.05 90.79 44.25 0.00 0.00
132
+ ATOM 132 C PTH 1 109.05 90.79 45.25 0.00 0.00
133
+ ATOM 133 C PTH 1 109.05 90.79 46.25 0.00 0.00
134
+ ATOM 134 C PTH 1 110.05 85.79 39.25 0.00 0.00
135
+ ATOM 135 C PTH 1 110.05 85.79 40.25 0.00 0.00
136
+ ATOM 136 C PTH 1 110.05 85.79 41.25 0.00 0.00
137
+ ATOM 137 C PTH 1 110.05 86.79 39.25 0.00 0.00
138
+ ATOM 138 C PTH 1 110.05 86.79 40.25 0.00 0.00
139
+ ATOM 139 C PTH 1 110.05 86.79 41.25 0.00 0.00
140
+ ATOM 140 C PTH 1 110.05 86.79 42.25 0.00 0.00
141
+ ATOM 141 C PTH 1 110.05 86.79 43.25 0.00 0.00
142
+ ATOM 142 C PTH 1 110.05 86.79 44.25 0.00 0.00
143
+ ATOM 143 C PTH 1 110.05 87.79 39.25 0.00 0.00
144
+ ATOM 144 C PTH 1 110.05 87.79 40.25 0.00 0.00
145
+ ATOM 145 C PTH 1 110.05 87.79 41.25 0.00 0.00
146
+ ATOM 146 C PTH 1 110.05 87.79 42.25 0.00 0.00
147
+ ATOM 147 C PTH 1 110.05 87.79 43.25 0.00 0.00
148
+ ATOM 148 C PTH 1 110.05 87.79 44.25 0.00 0.00
149
+ ATOM 149 C PTH 1 110.05 87.79 45.25 0.00 0.00
150
+ ATOM 150 C PTH 1 110.05 87.79 46.25 0.00 0.00
151
+ ATOM 151 C PTH 1 110.05 88.79 39.25 0.00 0.00
152
+ ATOM 152 C PTH 1 110.05 88.79 40.25 0.00 0.00
153
+ ATOM 153 C PTH 1 110.05 88.79 41.25 0.00 0.00
154
+ ATOM 154 C PTH 1 110.05 88.79 42.25 0.00 0.00
155
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156
+ ATOM 156 C PTH 1 110.05 88.79 44.25 0.00 0.00
157
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158
+ ATOM 158 C PTH 1 110.05 88.79 46.25 0.00 0.00
159
+ ATOM 159 C PTH 1 110.05 89.79 40.25 0.00 0.00
160
+ ATOM 160 C PTH 1 110.05 89.79 41.25 0.00 0.00
161
+ ATOM 161 C PTH 1 110.05 89.79 42.25 0.00 0.00
162
+ ATOM 162 C PTH 1 110.05 89.79 43.25 0.00 0.00
163
+ ATOM 163 C PTH 1 110.05 89.79 44.25 0.00 0.00
164
+ ATOM 164 C PTH 1 110.05 89.79 45.25 0.00 0.00
165
+ ATOM 165 C PTH 1 110.05 89.79 46.25 0.00 0.00
166
+ ATOM 166 C PTH 1 110.05 90.79 41.25 0.00 0.00
167
+ ATOM 167 C PTH 1 110.05 90.79 42.25 0.00 0.00
168
+ ATOM 168 C PTH 1 110.05 90.79 43.25 0.00 0.00
169
+ ATOM 169 C PTH 1 110.05 90.79 44.25 0.00 0.00
170
+ ATOM 170 C PTH 1 110.05 90.79 45.25 0.00 0.00
171
+ ATOM 171 C PTH 1 110.05 90.79 46.25 0.00 0.00
172
+ ATOM 172 C PTH 1 110.05 91.79 42.25 0.00 0.00
173
+ ATOM 173 C PTH 1 110.05 91.79 43.25 0.00 0.00
174
+ ATOM 174 C PTH 1 110.05 91.79 44.25 0.00 0.00
175
+ ATOM 175 C PTH 1 111.05 86.79 40.25 0.00 0.00
176
+ ATOM 176 C PTH 1 111.05 86.79 41.25 0.00 0.00
177
+ ATOM 177 C PTH 1 111.05 86.79 42.25 0.00 0.00
178
+ ATOM 178 C PTH 1 111.05 87.79 40.25 0.00 0.00
179
+ ATOM 179 C PTH 1 111.05 87.79 41.25 0.00 0.00
180
+ ATOM 180 C PTH 1 111.05 87.79 42.25 0.00 0.00
181
+ ATOM 181 C PTH 1 111.05 87.79 43.25 0.00 0.00
182
+ ATOM 182 C PTH 1 111.05 87.79 44.25 0.00 0.00
183
+ ATOM 183 C PTH 1 111.05 88.79 41.25 0.00 0.00
184
+ ATOM 184 C PTH 1 111.05 88.79 42.25 0.00 0.00
185
+ ATOM 185 C PTH 1 111.05 88.79 43.25 0.00 0.00
186
+ ATOM 186 C PTH 1 111.05 88.79 44.25 0.00 0.00
187
+ ATOM 187 C PTH 1 111.05 88.79 45.25 0.00 0.00
188
+ ATOM 188 C PTH 1 111.05 89.79 41.25 0.00 0.00
189
+ ATOM 189 C PTH 1 111.05 89.79 42.25 0.00 0.00
190
+ ATOM 190 C PTH 1 111.05 89.79 43.25 0.00 0.00
191
+ ATOM 191 C PTH 1 111.05 89.79 44.25 0.00 0.00
192
+ ATOM 192 C PTH 1 111.05 89.79 45.25 0.00 0.00
193
+ ATOM 193 C PTH 1 111.05 90.79 42.25 0.00 0.00
194
+ ATOM 194 C PTH 1 111.05 90.79 43.25 0.00 0.00
195
+ ATOM 195 C PTH 1 111.05 90.79 44.25 0.00 0.00
196
+ ATOM 196 C PTH 1 111.05 90.79 45.25 0.00 0.00
197
+ ATOM 197 C PTH 1 111.05 91.79 42.25 0.00 0.00
198
+ ATOM 198 C PTH 1 111.05 91.79 43.25 0.00 0.00
199
+ ATOM 199 C PTH 1 111.05 91.79 44.25 0.00 0.00
data/files/A007W/pocket_04.pdb ADDED
@@ -0,0 +1,193 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 101.05 82.79 52.25 0.00 0.00
2
+ ATOM 2 C PTH 1 101.05 82.79 53.25 0.00 0.00
3
+ ATOM 3 C PTH 1 101.05 82.79 54.25 0.00 0.00
4
+ ATOM 4 C PTH 1 101.05 83.79 52.25 0.00 0.00
5
+ ATOM 5 C PTH 1 101.05 83.79 53.25 0.00 0.00
6
+ ATOM 6 C PTH 1 101.05 83.79 54.25 0.00 0.00
7
+ ATOM 7 C PTH 1 101.05 83.79 55.25 0.00 0.00
8
+ ATOM 8 C PTH 1 101.05 84.79 52.25 0.00 0.00
9
+ ATOM 9 C PTH 1 101.05 84.79 53.25 0.00 0.00
10
+ ATOM 10 C PTH 1 101.05 84.79 54.25 0.00 0.00
11
+ ATOM 11 C PTH 1 101.05 84.79 55.25 0.00 0.00
12
+ ATOM 12 C PTH 1 101.05 85.79 52.25 0.00 0.00
13
+ ATOM 13 C PTH 1 102.05 82.79 52.25 0.00 0.00
14
+ ATOM 14 C PTH 1 102.05 82.79 53.25 0.00 0.00
15
+ ATOM 15 C PTH 1 102.05 82.79 54.25 0.00 0.00
16
+ ATOM 16 C PTH 1 102.05 82.79 55.25 0.00 0.00
17
+ ATOM 17 C PTH 1 102.05 82.79 56.25 0.00 0.00
18
+ ATOM 18 C PTH 1 102.05 83.79 52.25 0.00 0.00
19
+ ATOM 19 C PTH 1 102.05 83.79 53.25 0.00 0.00
20
+ ATOM 20 C PTH 1 102.05 83.79 54.25 0.00 0.00
21
+ ATOM 21 C PTH 1 102.05 83.79 55.25 0.00 0.00
22
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23
+ ATOM 23 C PTH 1 102.05 84.79 52.25 0.00 0.00
24
+ ATOM 24 C PTH 1 102.05 84.79 53.25 0.00 0.00
25
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26
+ ATOM 26 C PTH 1 102.05 84.79 55.25 0.00 0.00
27
+ ATOM 27 C PTH 1 102.05 84.79 56.25 0.00 0.00
28
+ ATOM 28 C PTH 1 102.05 85.79 52.25 0.00 0.00
29
+ ATOM 29 C PTH 1 102.05 85.79 53.25 0.00 0.00
30
+ ATOM 30 C PTH 1 102.05 85.79 54.25 0.00 0.00
31
+ ATOM 31 C PTH 1 102.05 85.79 55.25 0.00 0.00
32
+ ATOM 32 C PTH 1 102.05 86.79 55.25 0.00 0.00
33
+ ATOM 33 C PTH 1 103.05 82.79 54.25 0.00 0.00
34
+ ATOM 34 C PTH 1 103.05 82.79 55.25 0.00 0.00
35
+ ATOM 35 C PTH 1 103.05 82.79 56.25 0.00 0.00
36
+ ATOM 36 C PTH 1 103.05 82.79 57.25 0.00 0.00
37
+ ATOM 37 C PTH 1 103.05 83.79 52.25 0.00 0.00
38
+ ATOM 38 C PTH 1 103.05 83.79 53.25 0.00 0.00
39
+ ATOM 39 C PTH 1 103.05 83.79 54.25 0.00 0.00
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
+ ATOM 46 C PTH 1 103.05 84.79 55.25 0.00 0.00
47
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48
+ ATOM 48 C PTH 1 103.05 84.79 57.25 0.00 0.00
49
+ ATOM 49 C PTH 1 103.05 85.79 52.25 0.00 0.00
50
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51
+ ATOM 51 C PTH 1 103.05 85.79 54.25 0.00 0.00
52
+ ATOM 52 C PTH 1 103.05 85.79 55.25 0.00 0.00
53
+ ATOM 53 C PTH 1 103.05 85.79 56.25 0.00 0.00
54
+ ATOM 54 C PTH 1 103.05 85.79 57.25 0.00 0.00
55
+ ATOM 55 C PTH 1 103.05 86.79 53.25 0.00 0.00
56
+ ATOM 56 C PTH 1 103.05 86.79 54.25 0.00 0.00
57
+ ATOM 57 C PTH 1 103.05 86.79 55.25 0.00 0.00
58
+ ATOM 58 C PTH 1 104.05 82.79 54.25 0.00 0.00
59
+ ATOM 59 C PTH 1 104.05 82.79 55.25 0.00 0.00
60
+ ATOM 60 C PTH 1 104.05 82.79 56.25 0.00 0.00
61
+ ATOM 61 C PTH 1 104.05 82.79 57.25 0.00 0.00
62
+ ATOM 62 C PTH 1 104.05 83.79 53.25 0.00 0.00
63
+ ATOM 63 C PTH 1 104.05 83.79 54.25 0.00 0.00
64
+ ATOM 64 C PTH 1 104.05 83.79 55.25 0.00 0.00
65
+ ATOM 65 C PTH 1 104.05 83.79 56.25 0.00 0.00
66
+ ATOM 66 C PTH 1 104.05 83.79 57.25 0.00 0.00
67
+ ATOM 67 C PTH 1 104.05 84.79 53.25 0.00 0.00
68
+ ATOM 68 C PTH 1 104.05 84.79 54.25 0.00 0.00
69
+ ATOM 69 C PTH 1 104.05 84.79 55.25 0.00 0.00
70
+ ATOM 70 C PTH 1 104.05 84.79 56.25 0.00 0.00
71
+ ATOM 71 C PTH 1 104.05 84.79 57.25 0.00 0.00
72
+ ATOM 72 C PTH 1 104.05 85.79 53.25 0.00 0.00
73
+ ATOM 73 C PTH 1 104.05 85.79 54.25 0.00 0.00
74
+ ATOM 74 C PTH 1 104.05 85.79 55.25 0.00 0.00
75
+ ATOM 75 C PTH 1 104.05 85.79 56.25 0.00 0.00
76
+ ATOM 76 C PTH 1 104.05 85.79 57.25 0.00 0.00
77
+ ATOM 77 C PTH 1 104.05 86.79 53.25 0.00 0.00
78
+ ATOM 78 C PTH 1 104.05 86.79 54.25 0.00 0.00
79
+ ATOM 79 C PTH 1 104.05 86.79 55.25 0.00 0.00
80
+ ATOM 80 C PTH 1 105.05 82.79 55.25 0.00 0.00
81
+ ATOM 81 C PTH 1 105.05 82.79 56.25 0.00 0.00
82
+ ATOM 82 C PTH 1 105.05 82.79 57.25 0.00 0.00
83
+ ATOM 83 C PTH 1 105.05 83.79 54.25 0.00 0.00
84
+ ATOM 84 C PTH 1 105.05 83.79 55.25 0.00 0.00
85
+ ATOM 85 C PTH 1 105.05 83.79 56.25 0.00 0.00
86
+ ATOM 86 C PTH 1 105.05 83.79 57.25 0.00 0.00
87
+ ATOM 87 C PTH 1 105.05 84.79 54.25 0.00 0.00
88
+ ATOM 88 C PTH 1 105.05 84.79 55.25 0.00 0.00
89
+ ATOM 89 C PTH 1 105.05 84.79 56.25 0.00 0.00
90
+ ATOM 90 C PTH 1 105.05 84.79 57.25 0.00 0.00
91
+ ATOM 91 C PTH 1 105.05 85.79 54.25 0.00 0.00
92
+ ATOM 92 C PTH 1 105.05 85.79 55.25 0.00 0.00
93
+ ATOM 93 C PTH 1 105.05 85.79 56.25 0.00 0.00
94
+ ATOM 94 C PTH 1 105.05 85.79 57.25 0.00 0.00
95
+ ATOM 95 C PTH 1 105.05 86.79 55.25 0.00 0.00
96
+ ATOM 96 C PTH 1 106.05 82.79 55.25 0.00 0.00
97
+ ATOM 97 C PTH 1 106.05 82.79 56.25 0.00 0.00
98
+ ATOM 98 C PTH 1 106.05 82.79 57.25 0.00 0.00
99
+ ATOM 99 C PTH 1 106.05 83.79 54.25 0.00 0.00
100
+ ATOM 100 C PTH 1 106.05 83.79 55.25 0.00 0.00
101
+ ATOM 101 C PTH 1 106.05 83.79 56.25 0.00 0.00
102
+ ATOM 102 C PTH 1 106.05 83.79 57.25 0.00 0.00
103
+ ATOM 103 C PTH 1 106.05 84.79 54.25 0.00 0.00
104
+ ATOM 104 C PTH 1 106.05 84.79 55.25 0.00 0.00
105
+ ATOM 105 C PTH 1 106.05 84.79 56.25 0.00 0.00
106
+ ATOM 106 C PTH 1 106.05 84.79 57.25 0.00 0.00
107
+ ATOM 107 C PTH 1 106.05 85.79 55.25 0.00 0.00
108
+ ATOM 108 C PTH 1 106.05 85.79 56.25 0.00 0.00
109
+ ATOM 109 C PTH 1 106.05 85.79 57.25 0.00 0.00
110
+ ATOM 110 C PTH 1 107.05 81.79 55.25 0.00 0.00
111
+ ATOM 111 C PTH 1 107.05 81.79 56.25 0.00 0.00
112
+ ATOM 112 C PTH 1 107.05 81.79 57.25 0.00 0.00
113
+ ATOM 113 C PTH 1 107.05 82.79 54.25 0.00 0.00
114
+ ATOM 114 C PTH 1 107.05 82.79 55.25 0.00 0.00
115
+ ATOM 115 C PTH 1 107.05 82.79 56.25 0.00 0.00
116
+ ATOM 116 C PTH 1 107.05 82.79 57.25 0.00 0.00
117
+ ATOM 117 C PTH 1 107.05 83.79 54.25 0.00 0.00
118
+ ATOM 118 C PTH 1 107.05 83.79 55.25 0.00 0.00
119
+ ATOM 119 C PTH 1 107.05 83.79 56.25 0.00 0.00
120
+ ATOM 120 C PTH 1 107.05 83.79 57.25 0.00 0.00
121
+ ATOM 121 C PTH 1 107.05 84.79 55.25 0.00 0.00
122
+ ATOM 122 C PTH 1 107.05 84.79 56.25 0.00 0.00
123
+ ATOM 123 C PTH 1 107.05 84.79 57.25 0.00 0.00
124
+ ATOM 124 C PTH 1 107.05 85.79 56.25 0.00 0.00
125
+ ATOM 125 C PTH 1 108.05 80.79 55.25 0.00 0.00
126
+ ATOM 126 C PTH 1 108.05 80.79 56.25 0.00 0.00
127
+ ATOM 127 C PTH 1 108.05 80.79 57.25 0.00 0.00
128
+ ATOM 128 C PTH 1 108.05 81.79 54.25 0.00 0.00
129
+ ATOM 129 C PTH 1 108.05 81.79 55.25 0.00 0.00
130
+ ATOM 130 C PTH 1 108.05 81.79 56.25 0.00 0.00
131
+ ATOM 131 C PTH 1 108.05 81.79 57.25 0.00 0.00
132
+ ATOM 132 C PTH 1 108.05 82.79 54.25 0.00 0.00
133
+ ATOM 133 C PTH 1 108.05 82.79 55.25 0.00 0.00
134
+ ATOM 134 C PTH 1 108.05 82.79 56.25 0.00 0.00
135
+ ATOM 135 C PTH 1 108.05 82.79 57.25 0.00 0.00
136
+ ATOM 136 C PTH 1 108.05 82.79 58.25 0.00 0.00
137
+ ATOM 137 C PTH 1 108.05 83.79 54.25 0.00 0.00
138
+ ATOM 138 C PTH 1 108.05 83.79 55.25 0.00 0.00
139
+ ATOM 139 C PTH 1 108.05 83.79 56.25 0.00 0.00
140
+ ATOM 140 C PTH 1 108.05 83.79 57.25 0.00 0.00
141
+ ATOM 141 C PTH 1 108.05 84.79 55.25 0.00 0.00
142
+ ATOM 142 C PTH 1 108.05 84.79 56.25 0.00 0.00
143
+ ATOM 143 C PTH 1 108.05 84.79 57.25 0.00 0.00
144
+ ATOM 144 C PTH 1 109.05 80.79 55.25 0.00 0.00
145
+ ATOM 145 C PTH 1 109.05 80.79 56.25 0.00 0.00
146
+ ATOM 146 C PTH 1 109.05 80.79 57.25 0.00 0.00
147
+ ATOM 147 C PTH 1 109.05 81.79 54.25 0.00 0.00
148
+ ATOM 148 C PTH 1 109.05 81.79 55.25 0.00 0.00
149
+ ATOM 149 C PTH 1 109.05 81.79 56.25 0.00 0.00
150
+ ATOM 150 C PTH 1 109.05 81.79 57.25 0.00 0.00
151
+ ATOM 151 C PTH 1 109.05 81.79 58.25 0.00 0.00
152
+ ATOM 152 C PTH 1 109.05 82.79 54.25 0.00 0.00
153
+ ATOM 153 C PTH 1 109.05 82.79 55.25 0.00 0.00
154
+ ATOM 154 C PTH 1 109.05 82.79 56.25 0.00 0.00
155
+ ATOM 155 C PTH 1 109.05 82.79 57.25 0.00 0.00
156
+ ATOM 156 C PTH 1 109.05 82.79 58.25 0.00 0.00
157
+ ATOM 157 C PTH 1 109.05 83.79 54.25 0.00 0.00
158
+ ATOM 158 C PTH 1 109.05 83.79 55.25 0.00 0.00
159
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160
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data/files/A007W/pocket_05.pdb ADDED
@@ -0,0 +1,187 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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data/files/A007W/pocket_07.pdb ADDED
@@ -0,0 +1,125 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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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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65
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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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75
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81
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95
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106
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107
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109
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112
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113
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114
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115
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117
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119
+ ATOM 119 C PTH 1 71.05 89.79 43.25 0.00 0.00
120
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125
+ ATOM 125 C PTH 1 71.05 92.79 43.25 0.00 0.00
data/files/A0084/pocket_01.pdb ADDED
@@ -0,0 +1,421 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 74.8 89.12 30.07 0.00 0.00
2
+ ATOM 2 C PTH 1 74.8 89.12 31.07 0.00 0.00
3
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71
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77
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78
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79
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89
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91
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93
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95
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96
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97
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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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126
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127
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128
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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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142
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146
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148
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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
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156
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160
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161
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174
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176
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180
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181
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182
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183
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184
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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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190
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191
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192
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194
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195
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199
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200
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201
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202
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203
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205
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207
+ ATOM 207 C PTH 1 78.8 90.12 32.07 0.00 0.00
208
+ ATOM 208 C PTH 1 78.8 90.12 33.07 0.00 0.00
209
+ ATOM 209 C PTH 1 78.8 90.12 34.07 0.00 0.00
210
+ ATOM 210 C PTH 1 78.8 90.12 35.07 0.00 0.00
211
+ ATOM 211 C PTH 1 78.8 90.12 36.07 0.00 0.00
212
+ ATOM 212 C PTH 1 78.8 90.12 37.07 0.00 0.00
213
+ ATOM 213 C PTH 1 78.8 90.12 38.07 0.00 0.00
214
+ ATOM 214 C PTH 1 78.8 90.12 39.07 0.00 0.00
215
+ ATOM 215 C PTH 1 78.8 90.12 40.07 0.00 0.00
216
+ ATOM 216 C PTH 1 78.8 90.12 41.07 0.00 0.00
217
+ ATOM 217 C PTH 1 78.8 91.12 29.07 0.00 0.00
218
+ ATOM 218 C PTH 1 78.8 91.12 30.07 0.00 0.00
219
+ ATOM 219 C PTH 1 78.8 91.12 31.07 0.00 0.00
220
+ ATOM 220 C PTH 1 78.8 91.12 32.07 0.00 0.00
221
+ ATOM 221 C PTH 1 78.8 91.12 33.07 0.00 0.00
222
+ ATOM 222 C PTH 1 78.8 91.12 34.07 0.00 0.00
223
+ ATOM 223 C PTH 1 78.8 91.12 35.07 0.00 0.00
224
+ ATOM 224 C PTH 1 78.8 91.12 36.07 0.00 0.00
225
+ ATOM 225 C PTH 1 78.8 91.12 37.07 0.00 0.00
226
+ ATOM 226 C PTH 1 78.8 92.12 31.07 0.00 0.00
227
+ ATOM 227 C PTH 1 78.8 92.12 32.07 0.00 0.00
228
+ ATOM 228 C PTH 1 78.8 92.12 33.07 0.00 0.00
229
+ ATOM 229 C PTH 1 78.8 92.12 34.07 0.00 0.00
230
+ ATOM 230 C PTH 1 78.8 92.12 35.07 0.00 0.00
231
+ ATOM 231 C PTH 1 78.8 92.12 36.07 0.00 0.00
232
+ ATOM 232 C PTH 1 78.8 92.12 37.07 0.00 0.00
233
+ ATOM 233 C PTH 1 78.8 93.12 32.07 0.00 0.00
234
+ ATOM 234 C PTH 1 78.8 93.12 33.07 0.00 0.00
235
+ ATOM 235 C PTH 1 78.8 93.12 34.07 0.00 0.00
236
+ ATOM 236 C PTH 1 78.8 93.12 35.07 0.00 0.00
237
+ ATOM 237 C PTH 1 78.8 93.12 36.07 0.00 0.00
238
+ ATOM 238 C PTH 1 78.8 93.12 37.07 0.00 0.00
239
+ ATOM 239 C PTH 1 78.8 94.12 33.07 0.00 0.00
240
+ ATOM 240 C PTH 1 78.8 94.12 34.07 0.00 0.00
241
+ ATOM 241 C PTH 1 78.8 94.12 35.07 0.00 0.00
242
+ ATOM 242 C PTH 1 78.8 94.12 36.07 0.00 0.00
243
+ ATOM 243 C PTH 1 79.8 85.12 39.07 0.00 0.00
244
+ ATOM 244 C PTH 1 79.8 85.12 40.07 0.00 0.00
245
+ ATOM 245 C PTH 1 79.8 85.12 41.07 0.00 0.00
246
+ ATOM 246 C PTH 1 79.8 85.12 42.07 0.00 0.00
247
+ ATOM 247 C PTH 1 79.8 86.12 38.07 0.00 0.00
248
+ ATOM 248 C PTH 1 79.8 86.12 39.07 0.00 0.00
249
+ ATOM 249 C PTH 1 79.8 86.12 40.07 0.00 0.00
250
+ ATOM 250 C PTH 1 79.8 86.12 41.07 0.00 0.00
251
+ ATOM 251 C PTH 1 79.8 86.12 42.07 0.00 0.00
252
+ ATOM 252 C PTH 1 79.8 87.12 37.07 0.00 0.00
253
+ ATOM 253 C PTH 1 79.8 87.12 38.07 0.00 0.00
254
+ ATOM 254 C PTH 1 79.8 87.12 39.07 0.00 0.00
255
+ ATOM 255 C PTH 1 79.8 87.12 40.07 0.00 0.00
256
+ ATOM 256 C PTH 1 79.8 87.12 41.07 0.00 0.00
257
+ ATOM 257 C PTH 1 79.8 87.12 42.07 0.00 0.00
258
+ ATOM 258 C PTH 1 79.8 88.12 31.07 0.00 0.00
259
+ ATOM 259 C PTH 1 79.8 88.12 32.07 0.00 0.00
260
+ ATOM 260 C PTH 1 79.8 88.12 33.07 0.00 0.00
261
+ ATOM 261 C PTH 1 79.8 88.12 34.07 0.00 0.00
262
+ ATOM 262 C PTH 1 79.8 88.12 35.07 0.00 0.00
263
+ ATOM 263 C PTH 1 79.8 88.12 36.07 0.00 0.00
264
+ ATOM 264 C PTH 1 79.8 88.12 37.07 0.00 0.00
265
+ ATOM 265 C PTH 1 79.8 88.12 38.07 0.00 0.00
266
+ ATOM 266 C PTH 1 79.8 88.12 39.07 0.00 0.00
267
+ ATOM 267 C PTH 1 79.8 88.12 40.07 0.00 0.00
268
+ ATOM 268 C PTH 1 79.8 88.12 41.07 0.00 0.00
269
+ ATOM 269 C PTH 1 79.8 88.12 42.07 0.00 0.00
270
+ ATOM 270 C PTH 1 79.8 89.12 31.07 0.00 0.00
271
+ ATOM 271 C PTH 1 79.8 89.12 32.07 0.00 0.00
272
+ ATOM 272 C PTH 1 79.8 89.12 33.07 0.00 0.00
273
+ ATOM 273 C PTH 1 79.8 89.12 34.07 0.00 0.00
274
+ ATOM 274 C PTH 1 79.8 89.12 35.07 0.00 0.00
275
+ ATOM 275 C PTH 1 79.8 89.12 36.07 0.00 0.00
276
+ ATOM 276 C PTH 1 79.8 89.12 37.07 0.00 0.00
277
+ ATOM 277 C PTH 1 79.8 89.12 38.07 0.00 0.00
278
+ ATOM 278 C PTH 1 79.8 89.12 39.07 0.00 0.00
279
+ ATOM 279 C PTH 1 79.8 89.12 40.07 0.00 0.00
280
+ ATOM 280 C PTH 1 79.8 89.12 41.07 0.00 0.00
281
+ ATOM 281 C PTH 1 79.8 89.12 42.07 0.00 0.00
282
+ ATOM 282 C PTH 1 79.8 90.12 31.07 0.00 0.00
283
+ ATOM 283 C PTH 1 79.8 90.12 32.07 0.00 0.00
284
+ ATOM 284 C PTH 1 79.8 90.12 33.07 0.00 0.00
285
+ ATOM 285 C PTH 1 79.8 90.12 34.07 0.00 0.00
286
+ ATOM 286 C PTH 1 79.8 90.12 35.07 0.00 0.00
287
+ ATOM 287 C PTH 1 79.8 90.12 36.07 0.00 0.00
288
+ ATOM 288 C PTH 1 79.8 90.12 37.07 0.00 0.00
289
+ ATOM 289 C PTH 1 79.8 90.12 38.07 0.00 0.00
290
+ ATOM 290 C PTH 1 79.8 90.12 39.07 0.00 0.00
291
+ ATOM 291 C PTH 1 79.8 90.12 40.07 0.00 0.00
292
+ ATOM 292 C PTH 1 79.8 90.12 41.07 0.00 0.00
293
+ ATOM 293 C PTH 1 79.8 91.12 31.07 0.00 0.00
294
+ ATOM 294 C PTH 1 79.8 91.12 32.07 0.00 0.00
295
+ ATOM 295 C PTH 1 79.8 91.12 33.07 0.00 0.00
296
+ ATOM 296 C PTH 1 79.8 91.12 34.07 0.00 0.00
297
+ ATOM 297 C PTH 1 79.8 91.12 35.07 0.00 0.00
298
+ ATOM 298 C PTH 1 79.8 91.12 36.07 0.00 0.00
299
+ ATOM 299 C PTH 1 79.8 91.12 37.07 0.00 0.00
300
+ ATOM 300 C PTH 1 79.8 92.12 32.07 0.00 0.00
301
+ ATOM 301 C PTH 1 79.8 92.12 33.07 0.00 0.00
302
+ ATOM 302 C PTH 1 79.8 92.12 34.07 0.00 0.00
303
+ ATOM 303 C PTH 1 79.8 92.12 35.07 0.00 0.00
304
+ ATOM 304 C PTH 1 79.8 92.12 36.07 0.00 0.00
305
+ ATOM 305 C PTH 1 79.8 92.12 37.07 0.00 0.00
306
+ ATOM 306 C PTH 1 79.8 93.12 32.07 0.00 0.00
307
+ ATOM 307 C PTH 1 79.8 93.12 33.07 0.00 0.00
308
+ ATOM 308 C PTH 1 79.8 93.12 34.07 0.00 0.00
309
+ ATOM 309 C PTH 1 79.8 93.12 35.07 0.00 0.00
310
+ ATOM 310 C PTH 1 79.8 93.12 36.07 0.00 0.00
311
+ ATOM 311 C PTH 1 79.8 93.12 37.07 0.00 0.00
312
+ ATOM 312 C PTH 1 79.8 94.12 33.07 0.00 0.00
313
+ ATOM 313 C PTH 1 79.8 94.12 34.07 0.00 0.00
314
+ ATOM 314 C PTH 1 79.8 94.12 35.07 0.00 0.00
315
+ ATOM 315 C PTH 1 79.8 94.12 36.07 0.00 0.00
316
+ ATOM 316 C PTH 1 80.8 85.12 39.07 0.00 0.00
317
+ ATOM 317 C PTH 1 80.8 85.12 40.07 0.00 0.00
318
+ ATOM 318 C PTH 1 80.8 85.12 41.07 0.00 0.00
319
+ ATOM 319 C PTH 1 80.8 85.12 42.07 0.00 0.00
320
+ ATOM 320 C PTH 1 80.8 86.12 38.07 0.00 0.00
321
+ ATOM 321 C PTH 1 80.8 86.12 39.07 0.00 0.00
322
+ ATOM 322 C PTH 1 80.8 86.12 40.07 0.00 0.00
323
+ ATOM 323 C PTH 1 80.8 86.12 41.07 0.00 0.00
324
+ ATOM 324 C PTH 1 80.8 86.12 42.07 0.00 0.00
325
+ ATOM 325 C PTH 1 80.8 87.12 37.07 0.00 0.00
326
+ ATOM 326 C PTH 1 80.8 87.12 38.07 0.00 0.00
327
+ ATOM 327 C PTH 1 80.8 87.12 39.07 0.00 0.00
328
+ ATOM 328 C PTH 1 80.8 87.12 40.07 0.00 0.00
329
+ ATOM 329 C PTH 1 80.8 87.12 41.07 0.00 0.00
330
+ ATOM 330 C PTH 1 80.8 87.12 42.07 0.00 0.00
331
+ ATOM 331 C PTH 1 80.8 88.12 33.07 0.00 0.00
332
+ ATOM 332 C PTH 1 80.8 88.12 34.07 0.00 0.00
333
+ ATOM 333 C PTH 1 80.8 88.12 35.07 0.00 0.00
334
+ ATOM 334 C PTH 1 80.8 88.12 36.07 0.00 0.00
335
+ ATOM 335 C PTH 1 80.8 88.12 37.07 0.00 0.00
336
+ ATOM 336 C PTH 1 80.8 88.12 38.07 0.00 0.00
337
+ ATOM 337 C PTH 1 80.8 88.12 39.07 0.00 0.00
338
+ ATOM 338 C PTH 1 80.8 88.12 40.07 0.00 0.00
339
+ ATOM 339 C PTH 1 80.8 88.12 41.07 0.00 0.00
340
+ ATOM 340 C PTH 1 80.8 88.12 42.07 0.00 0.00
341
+ ATOM 341 C PTH 1 80.8 89.12 32.07 0.00 0.00
342
+ ATOM 342 C PTH 1 80.8 89.12 33.07 0.00 0.00
343
+ ATOM 343 C PTH 1 80.8 89.12 34.07 0.00 0.00
344
+ ATOM 344 C PTH 1 80.8 89.12 35.07 0.00 0.00
345
+ ATOM 345 C PTH 1 80.8 89.12 36.07 0.00 0.00
346
+ ATOM 346 C PTH 1 80.8 89.12 37.07 0.00 0.00
347
+ ATOM 347 C PTH 1 80.8 89.12 38.07 0.00 0.00
348
+ ATOM 348 C PTH 1 80.8 89.12 39.07 0.00 0.00
349
+ ATOM 349 C PTH 1 80.8 89.12 40.07 0.00 0.00
350
+ ATOM 350 C PTH 1 80.8 89.12 41.07 0.00 0.00
351
+ ATOM 351 C PTH 1 80.8 89.12 42.07 0.00 0.00
352
+ ATOM 352 C PTH 1 80.8 90.12 32.07 0.00 0.00
353
+ ATOM 353 C PTH 1 80.8 90.12 33.07 0.00 0.00
354
+ ATOM 354 C PTH 1 80.8 90.12 34.07 0.00 0.00
355
+ ATOM 355 C PTH 1 80.8 90.12 35.07 0.00 0.00
356
+ ATOM 356 C PTH 1 80.8 90.12 36.07 0.00 0.00
357
+ ATOM 357 C PTH 1 80.8 90.12 37.07 0.00 0.00
358
+ ATOM 358 C PTH 1 80.8 90.12 38.07 0.00 0.00
359
+ ATOM 359 C PTH 1 80.8 90.12 39.07 0.00 0.00
360
+ ATOM 360 C PTH 1 80.8 90.12 40.07 0.00 0.00
361
+ ATOM 361 C PTH 1 80.8 90.12 41.07 0.00 0.00
362
+ ATOM 362 C PTH 1 80.8 91.12 32.07 0.00 0.00
363
+ ATOM 363 C PTH 1 80.8 91.12 33.07 0.00 0.00
364
+ ATOM 364 C PTH 1 80.8 91.12 34.07 0.00 0.00
365
+ ATOM 365 C PTH 1 80.8 91.12 35.07 0.00 0.00
366
+ ATOM 366 C PTH 1 80.8 91.12 36.07 0.00 0.00
367
+ ATOM 367 C PTH 1 80.8 92.12 32.07 0.00 0.00
368
+ ATOM 368 C PTH 1 80.8 92.12 33.07 0.00 0.00
369
+ ATOM 369 C PTH 1 80.8 92.12 34.07 0.00 0.00
370
+ ATOM 370 C PTH 1 80.8 92.12 35.07 0.00 0.00
371
+ ATOM 371 C PTH 1 80.8 92.12 36.07 0.00 0.00
372
+ ATOM 372 C PTH 1 80.8 93.12 33.07 0.00 0.00
373
+ ATOM 373 C PTH 1 80.8 93.12 34.07 0.00 0.00
374
+ ATOM 374 C PTH 1 80.8 93.12 35.07 0.00 0.00
375
+ ATOM 375 C PTH 1 81.8 87.12 37.07 0.00 0.00
376
+ ATOM 376 C PTH 1 81.8 87.12 38.07 0.00 0.00
377
+ ATOM 377 C PTH 1 81.8 87.12 39.07 0.00 0.00
378
+ ATOM 378 C PTH 1 81.8 87.12 40.07 0.00 0.00
379
+ ATOM 379 C PTH 1 81.8 87.12 41.07 0.00 0.00
380
+ ATOM 380 C PTH 1 81.8 88.12 34.07 0.00 0.00
381
+ ATOM 381 C PTH 1 81.8 88.12 35.07 0.00 0.00
382
+ ATOM 382 C PTH 1 81.8 88.12 36.07 0.00 0.00
383
+ ATOM 383 C PTH 1 81.8 88.12 37.07 0.00 0.00
384
+ ATOM 384 C PTH 1 81.8 88.12 38.07 0.00 0.00
385
+ ATOM 385 C PTH 1 81.8 88.12 39.07 0.00 0.00
386
+ ATOM 386 C PTH 1 81.8 88.12 40.07 0.00 0.00
387
+ ATOM 387 C PTH 1 81.8 88.12 41.07 0.00 0.00
388
+ ATOM 388 C PTH 1 81.8 89.12 33.07 0.00 0.00
389
+ ATOM 389 C PTH 1 81.8 89.12 34.07 0.00 0.00
390
+ ATOM 390 C PTH 1 81.8 89.12 35.07 0.00 0.00
391
+ ATOM 391 C PTH 1 81.8 89.12 36.07 0.00 0.00
392
+ ATOM 392 C PTH 1 81.8 89.12 37.07 0.00 0.00
393
+ ATOM 393 C PTH 1 81.8 89.12 38.07 0.00 0.00
394
+ ATOM 394 C PTH 1 81.8 89.12 39.07 0.00 0.00
395
+ ATOM 395 C PTH 1 81.8 89.12 40.07 0.00 0.00
396
+ ATOM 396 C PTH 1 81.8 89.12 41.07 0.00 0.00
397
+ ATOM 397 C PTH 1 81.8 90.12 33.07 0.00 0.00
398
+ ATOM 398 C PTH 1 81.8 90.12 34.07 0.00 0.00
399
+ ATOM 399 C PTH 1 81.8 90.12 35.07 0.00 0.00
400
+ ATOM 400 C PTH 1 81.8 90.12 36.07 0.00 0.00
401
+ ATOM 401 C PTH 1 81.8 90.12 39.07 0.00 0.00
402
+ ATOM 402 C PTH 1 81.8 90.12 40.07 0.00 0.00
403
+ ATOM 403 C PTH 1 81.8 91.12 33.07 0.00 0.00
404
+ ATOM 404 C PTH 1 81.8 91.12 34.07 0.00 0.00
405
+ ATOM 405 C PTH 1 81.8 91.12 35.07 0.00 0.00
406
+ ATOM 406 C PTH 1 81.8 92.12 33.07 0.00 0.00
407
+ ATOM 407 C PTH 1 81.8 92.12 34.07 0.00 0.00
408
+ ATOM 408 C PTH 1 81.8 92.12 35.07 0.00 0.00
409
+ ATOM 409 C PTH 1 82.8 88.12 34.07 0.00 0.00
410
+ ATOM 410 C PTH 1 82.8 88.12 35.07 0.00 0.00
411
+ ATOM 411 C PTH 1 82.8 88.12 36.07 0.00 0.00
412
+ ATOM 412 C PTH 1 82.8 88.12 37.07 0.00 0.00
413
+ ATOM 413 C PTH 1 82.8 89.12 33.07 0.00 0.00
414
+ ATOM 414 C PTH 1 82.8 89.12 34.07 0.00 0.00
415
+ ATOM 415 C PTH 1 82.8 89.12 35.07 0.00 0.00
416
+ ATOM 416 C PTH 1 82.8 89.12 36.07 0.00 0.00
417
+ ATOM 417 C PTH 1 82.8 89.12 37.07 0.00 0.00
418
+ ATOM 418 C PTH 1 82.8 90.12 33.07 0.00 0.00
419
+ ATOM 419 C PTH 1 82.8 90.12 34.07 0.00 0.00
420
+ ATOM 420 C PTH 1 82.8 90.12 35.07 0.00 0.00
421
+ ATOM 421 C PTH 1 82.8 91.12 34.07 0.00 0.00
data/files/A0084/pocket_03.pdb ADDED
@@ -0,0 +1,131 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 87.8 85.12 42.07 0.00 0.00
2
+ ATOM 2 C PTH 1 87.8 85.12 43.07 0.00 0.00
3
+ ATOM 3 C PTH 1 87.8 85.12 44.07 0.00 0.00
4
+ ATOM 4 C PTH 1 87.8 86.12 41.07 0.00 0.00
5
+ ATOM 5 C PTH 1 87.8 86.12 42.07 0.00 0.00
6
+ ATOM 6 C PTH 1 87.8 86.12 43.07 0.00 0.00
7
+ ATOM 7 C PTH 1 87.8 86.12 44.07 0.00 0.00
8
+ ATOM 8 C PTH 1 87.8 87.12 40.07 0.00 0.00
9
+ ATOM 9 C PTH 1 87.8 87.12 41.07 0.00 0.00
10
+ ATOM 10 C PTH 1 87.8 87.12 42.07 0.00 0.00
11
+ ATOM 11 C PTH 1 87.8 87.12 43.07 0.00 0.00
12
+ ATOM 12 C PTH 1 87.8 87.12 44.07 0.00 0.00
13
+ ATOM 13 C PTH 1 87.8 88.12 41.07 0.00 0.00
14
+ ATOM 14 C PTH 1 87.8 88.12 42.07 0.00 0.00
15
+ ATOM 15 C PTH 1 87.8 88.12 43.07 0.00 0.00
16
+ ATOM 16 C PTH 1 88.8 85.12 42.07 0.00 0.00
17
+ ATOM 17 C PTH 1 88.8 85.12 43.07 0.00 0.00
18
+ ATOM 18 C PTH 1 88.8 85.12 44.07 0.00 0.00
19
+ ATOM 19 C PTH 1 88.8 85.12 45.07 0.00 0.00
20
+ ATOM 20 C PTH 1 88.8 85.12 46.07 0.00 0.00
21
+ ATOM 21 C PTH 1 88.8 86.12 40.07 0.00 0.00
22
+ ATOM 22 C PTH 1 88.8 86.12 41.07 0.00 0.00
23
+ ATOM 23 C PTH 1 88.8 86.12 42.07 0.00 0.00
24
+ ATOM 24 C PTH 1 88.8 86.12 43.07 0.00 0.00
25
+ ATOM 25 C PTH 1 88.8 86.12 44.07 0.00 0.00
26
+ ATOM 26 C PTH 1 88.8 86.12 45.07 0.00 0.00
27
+ ATOM 27 C PTH 1 88.8 86.12 46.07 0.00 0.00
28
+ ATOM 28 C PTH 1 88.8 86.12 47.07 0.00 0.00
29
+ ATOM 29 C PTH 1 88.8 87.12 40.07 0.00 0.00
30
+ ATOM 30 C PTH 1 88.8 87.12 41.07 0.00 0.00
31
+ ATOM 31 C PTH 1 88.8 87.12 42.07 0.00 0.00
32
+ ATOM 32 C PTH 1 88.8 87.12 43.07 0.00 0.00
33
+ ATOM 33 C PTH 1 88.8 87.12 44.07 0.00 0.00
34
+ ATOM 34 C PTH 1 88.8 87.12 45.07 0.00 0.00
35
+ ATOM 35 C PTH 1 88.8 87.12 46.07 0.00 0.00
36
+ ATOM 36 C PTH 1 88.8 88.12 40.07 0.00 0.00
37
+ ATOM 37 C PTH 1 88.8 88.12 41.07 0.00 0.00
38
+ ATOM 38 C PTH 1 88.8 88.12 42.07 0.00 0.00
39
+ ATOM 39 C PTH 1 88.8 88.12 43.07 0.00 0.00
40
+ ATOM 40 C PTH 1 88.8 88.12 44.07 0.00 0.00
41
+ ATOM 41 C PTH 1 88.8 89.12 41.07 0.00 0.00
42
+ ATOM 42 C PTH 1 88.8 89.12 42.07 0.00 0.00
43
+ ATOM 43 C PTH 1 88.8 89.12 43.07 0.00 0.00
44
+ ATOM 44 C PTH 1 89.8 84.12 46.07 0.00 0.00
45
+ ATOM 45 C PTH 1 89.8 84.12 47.07 0.00 0.00
46
+ ATOM 46 C PTH 1 89.8 85.12 42.07 0.00 0.00
47
+ ATOM 47 C PTH 1 89.8 85.12 43.07 0.00 0.00
48
+ ATOM 48 C PTH 1 89.8 85.12 44.07 0.00 0.00
49
+ ATOM 49 C PTH 1 89.8 85.12 45.07 0.00 0.00
50
+ ATOM 50 C PTH 1 89.8 85.12 46.07 0.00 0.00
51
+ ATOM 51 C PTH 1 89.8 85.12 47.07 0.00 0.00
52
+ ATOM 52 C PTH 1 89.8 86.12 41.07 0.00 0.00
53
+ ATOM 53 C PTH 1 89.8 86.12 42.07 0.00 0.00
54
+ ATOM 54 C PTH 1 89.8 86.12 43.07 0.00 0.00
55
+ ATOM 55 C PTH 1 89.8 86.12 44.07 0.00 0.00
56
+ ATOM 56 C PTH 1 89.8 86.12 45.07 0.00 0.00
57
+ ATOM 57 C PTH 1 89.8 86.12 46.07 0.00 0.00
58
+ ATOM 58 C PTH 1 89.8 86.12 47.07 0.00 0.00
59
+ ATOM 59 C PTH 1 89.8 87.12 40.07 0.00 0.00
60
+ ATOM 60 C PTH 1 89.8 87.12 41.07 0.00 0.00
61
+ ATOM 61 C PTH 1 89.8 87.12 42.07 0.00 0.00
62
+ ATOM 62 C PTH 1 89.8 87.12 43.07 0.00 0.00
63
+ ATOM 63 C PTH 1 89.8 87.12 44.07 0.00 0.00
64
+ ATOM 64 C PTH 1 89.8 87.12 45.07 0.00 0.00
65
+ ATOM 65 C PTH 1 89.8 87.12 46.07 0.00 0.00
66
+ ATOM 66 C PTH 1 89.8 87.12 47.07 0.00 0.00
67
+ ATOM 67 C PTH 1 89.8 88.12 40.07 0.00 0.00
68
+ ATOM 68 C PTH 1 89.8 88.12 41.07 0.00 0.00
69
+ ATOM 69 C PTH 1 89.8 88.12 42.07 0.00 0.00
70
+ ATOM 70 C PTH 1 89.8 88.12 43.07 0.00 0.00
71
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72
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data/files/A0084/pocket_04.pdb ADDED
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data/files/A0084/pocket_05.pdb ADDED
@@ -0,0 +1,90 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A0084/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A0098/structure.pdb ADDED
The diff for this file is too large to render. See raw diff
 
data/files/A009J/pocket_07.pdb ADDED
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20
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21
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+ ATOM 176 C PTH 1 87.8 89.98 30.43 0.00 0.00
data/files/A009J/pocket_09.pdb ADDED
@@ -0,0 +1,55 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 109.8 62.98 48.43 0.00 0.00
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+ ATOM 55 C PTH 1 112.8 66.98 46.43 0.00 0.00
data/files/A009M/pocket_03.pdb ADDED
@@ -0,0 +1,293 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 84.5 96.57 24.1 0.00 0.00
2
+ ATOM 2 C PTH 1 84.5 96.57 25.1 0.00 0.00
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+ ATOM 63 C PTH 1 87.5 90.57 21.1 0.00 0.00
64
+ ATOM 64 C PTH 1 87.5 91.57 19.1 0.00 0.00
65
+ ATOM 65 C PTH 1 87.5 91.57 20.1 0.00 0.00
66
+ ATOM 66 C PTH 1 87.5 91.57 21.1 0.00 0.00
67
+ ATOM 67 C PTH 1 87.5 91.57 22.1 0.00 0.00
68
+ ATOM 68 C PTH 1 87.5 91.57 23.1 0.00 0.00
69
+ ATOM 69 C PTH 1 87.5 92.57 19.1 0.00 0.00
70
+ ATOM 70 C PTH 1 87.5 92.57 20.1 0.00 0.00
71
+ ATOM 71 C PTH 1 87.5 92.57 21.1 0.00 0.00
72
+ ATOM 72 C PTH 1 87.5 92.57 22.1 0.00 0.00
73
+ ATOM 73 C PTH 1 87.5 92.57 23.1 0.00 0.00
74
+ ATOM 74 C PTH 1 87.5 93.57 20.1 0.00 0.00
75
+ ATOM 75 C PTH 1 87.5 93.57 21.1 0.00 0.00
76
+ ATOM 76 C PTH 1 87.5 93.57 22.1 0.00 0.00
77
+ ATOM 77 C PTH 1 87.5 93.57 23.1 0.00 0.00
78
+ ATOM 78 C PTH 1 87.5 93.57 24.1 0.00 0.00
79
+ ATOM 79 C PTH 1 87.5 93.57 25.1 0.00 0.00
80
+ ATOM 80 C PTH 1 87.5 94.57 20.1 0.00 0.00
81
+ ATOM 81 C PTH 1 87.5 94.57 21.1 0.00 0.00
82
+ ATOM 82 C PTH 1 87.5 94.57 22.1 0.00 0.00
83
+ ATOM 83 C PTH 1 87.5 94.57 23.1 0.00 0.00
84
+ ATOM 84 C PTH 1 87.5 94.57 24.1 0.00 0.00
85
+ ATOM 85 C PTH 1 87.5 94.57 25.1 0.00 0.00
86
+ ATOM 86 C PTH 1 87.5 95.57 20.1 0.00 0.00
87
+ ATOM 87 C PTH 1 87.5 95.57 21.1 0.00 0.00
88
+ ATOM 88 C PTH 1 87.5 95.57 22.1 0.00 0.00
89
+ ATOM 89 C PTH 1 87.5 95.57 23.1 0.00 0.00
90
+ ATOM 90 C PTH 1 87.5 95.57 24.1 0.00 0.00
91
+ ATOM 91 C PTH 1 87.5 95.57 25.1 0.00 0.00
92
+ ATOM 92 C PTH 1 87.5 95.57 26.1 0.00 0.00
93
+ ATOM 93 C PTH 1 87.5 96.57 20.1 0.00 0.00
94
+ ATOM 94 C PTH 1 87.5 96.57 21.1 0.00 0.00
95
+ ATOM 95 C PTH 1 87.5 96.57 22.1 0.00 0.00
96
+ ATOM 96 C PTH 1 87.5 96.57 23.1 0.00 0.00
97
+ ATOM 97 C PTH 1 87.5 96.57 24.1 0.00 0.00
98
+ ATOM 98 C PTH 1 87.5 96.57 25.1 0.00 0.00
99
+ ATOM 99 C PTH 1 87.5 96.57 26.1 0.00 0.00
100
+ ATOM 100 C PTH 1 87.5 97.57 21.1 0.00 0.00
101
+ ATOM 101 C PTH 1 87.5 97.57 22.1 0.00 0.00
102
+ ATOM 102 C PTH 1 87.5 97.57 23.1 0.00 0.00
103
+ ATOM 103 C PTH 1 87.5 97.57 24.1 0.00 0.00
104
+ ATOM 104 C PTH 1 87.5 97.57 25.1 0.00 0.00
105
+ ATOM 105 C PTH 1 87.5 98.57 22.1 0.00 0.00
106
+ ATOM 106 C PTH 1 87.5 98.57 23.1 0.00 0.00
107
+ ATOM 107 C PTH 1 88.5 87.57 21.1 0.00 0.00
108
+ ATOM 108 C PTH 1 88.5 88.57 17.1 0.00 0.00
109
+ ATOM 109 C PTH 1 88.5 88.57 18.1 0.00 0.00
110
+ ATOM 110 C PTH 1 88.5 88.57 19.1 0.00 0.00
111
+ ATOM 111 C PTH 1 88.5 88.57 20.1 0.00 0.00
112
+ ATOM 112 C PTH 1 88.5 88.57 21.1 0.00 0.00
113
+ ATOM 113 C PTH 1 88.5 88.57 22.1 0.00 0.00
114
+ ATOM 114 C PTH 1 88.5 89.57 17.1 0.00 0.00
115
+ ATOM 115 C PTH 1 88.5 89.57 18.1 0.00 0.00
116
+ ATOM 116 C PTH 1 88.5 89.57 19.1 0.00 0.00
117
+ ATOM 117 C PTH 1 88.5 89.57 20.1 0.00 0.00
118
+ ATOM 118 C PTH 1 88.5 89.57 21.1 0.00 0.00
119
+ ATOM 119 C PTH 1 88.5 89.57 22.1 0.00 0.00
120
+ ATOM 120 C PTH 1 88.5 89.57 23.1 0.00 0.00
121
+ ATOM 121 C PTH 1 88.5 89.57 25.1 0.00 0.00
122
+ ATOM 122 C PTH 1 88.5 90.57 17.1 0.00 0.00
123
+ ATOM 123 C PTH 1 88.5 90.57 18.1 0.00 0.00
124
+ ATOM 124 C PTH 1 88.5 90.57 19.1 0.00 0.00
125
+ ATOM 125 C PTH 1 88.5 90.57 20.1 0.00 0.00
126
+ ATOM 126 C PTH 1 88.5 90.57 21.1 0.00 0.00
127
+ ATOM 127 C PTH 1 88.5 90.57 22.1 0.00 0.00
128
+ ATOM 128 C PTH 1 88.5 90.57 23.1 0.00 0.00
129
+ ATOM 129 C PTH 1 88.5 90.57 24.1 0.00 0.00
130
+ ATOM 130 C PTH 1 88.5 90.57 25.1 0.00 0.00
131
+ ATOM 131 C PTH 1 88.5 91.57 18.1 0.00 0.00
132
+ ATOM 132 C PTH 1 88.5 91.57 19.1 0.00 0.00
133
+ ATOM 133 C PTH 1 88.5 91.57 20.1 0.00 0.00
134
+ ATOM 134 C PTH 1 88.5 91.57 21.1 0.00 0.00
135
+ ATOM 135 C PTH 1 88.5 91.57 22.1 0.00 0.00
136
+ ATOM 136 C PTH 1 88.5 91.57 23.1 0.00 0.00
137
+ ATOM 137 C PTH 1 88.5 91.57 24.1 0.00 0.00
138
+ ATOM 138 C PTH 1 88.5 91.57 25.1 0.00 0.00
139
+ ATOM 139 C PTH 1 88.5 92.57 19.1 0.00 0.00
140
+ ATOM 140 C PTH 1 88.5 92.57 20.1 0.00 0.00
141
+ ATOM 141 C PTH 1 88.5 92.57 21.1 0.00 0.00
142
+ ATOM 142 C PTH 1 88.5 92.57 22.1 0.00 0.00
143
+ ATOM 143 C PTH 1 88.5 92.57 23.1 0.00 0.00
144
+ ATOM 144 C PTH 1 88.5 92.57 24.1 0.00 0.00
145
+ ATOM 145 C PTH 1 88.5 92.57 25.1 0.00 0.00
146
+ ATOM 146 C PTH 1 88.5 93.57 19.1 0.00 0.00
147
+ ATOM 147 C PTH 1 88.5 93.57 20.1 0.00 0.00
148
+ ATOM 148 C PTH 1 88.5 93.57 21.1 0.00 0.00
149
+ ATOM 149 C PTH 1 88.5 93.57 22.1 0.00 0.00
150
+ ATOM 150 C PTH 1 88.5 93.57 23.1 0.00 0.00
151
+ ATOM 151 C PTH 1 88.5 93.57 24.1 0.00 0.00
152
+ ATOM 152 C PTH 1 88.5 93.57 25.1 0.00 0.00
153
+ ATOM 153 C PTH 1 88.5 94.57 20.1 0.00 0.00
154
+ ATOM 154 C PTH 1 88.5 94.57 21.1 0.00 0.00
155
+ ATOM 155 C PTH 1 88.5 94.57 22.1 0.00 0.00
156
+ ATOM 156 C PTH 1 88.5 94.57 23.1 0.00 0.00
157
+ ATOM 157 C PTH 1 88.5 94.57 24.1 0.00 0.00
158
+ ATOM 158 C PTH 1 88.5 94.57 25.1 0.00 0.00
159
+ ATOM 159 C PTH 1 88.5 95.57 20.1 0.00 0.00
160
+ ATOM 160 C PTH 1 88.5 95.57 21.1 0.00 0.00
161
+ ATOM 161 C PTH 1 88.5 95.57 22.1 0.00 0.00
162
+ ATOM 162 C PTH 1 88.5 95.57 23.1 0.00 0.00
163
+ ATOM 163 C PTH 1 88.5 95.57 24.1 0.00 0.00
164
+ ATOM 164 C PTH 1 88.5 95.57 25.1 0.00 0.00
165
+ ATOM 165 C PTH 1 88.5 96.57 20.1 0.00 0.00
166
+ ATOM 166 C PTH 1 88.5 96.57 21.1 0.00 0.00
167
+ ATOM 167 C PTH 1 88.5 96.57 22.1 0.00 0.00
168
+ ATOM 168 C PTH 1 88.5 96.57 23.1 0.00 0.00
169
+ ATOM 169 C PTH 1 88.5 96.57 24.1 0.00 0.00
170
+ ATOM 170 C PTH 1 88.5 96.57 25.1 0.00 0.00
171
+ ATOM 171 C PTH 1 88.5 97.57 21.1 0.00 0.00
172
+ ATOM 172 C PTH 1 88.5 97.57 22.1 0.00 0.00
173
+ ATOM 173 C PTH 1 88.5 97.57 23.1 0.00 0.00
174
+ ATOM 174 C PTH 1 88.5 97.57 24.1 0.00 0.00
175
+ ATOM 175 C PTH 1 88.5 98.57 22.1 0.00 0.00
176
+ ATOM 176 C PTH 1 89.5 87.57 19.1 0.00 0.00
177
+ ATOM 177 C PTH 1 89.5 87.57 20.1 0.00 0.00
178
+ ATOM 178 C PTH 1 89.5 87.57 21.1 0.00 0.00
179
+ ATOM 179 C PTH 1 89.5 87.57 22.1 0.00 0.00
180
+ ATOM 180 C PTH 1 89.5 88.57 18.1 0.00 0.00
181
+ ATOM 181 C PTH 1 89.5 88.57 19.1 0.00 0.00
182
+ ATOM 182 C PTH 1 89.5 88.57 20.1 0.00 0.00
183
+ ATOM 183 C PTH 1 89.5 88.57 21.1 0.00 0.00
184
+ ATOM 184 C PTH 1 89.5 88.57 22.1 0.00 0.00
185
+ ATOM 185 C PTH 1 89.5 89.57 17.1 0.00 0.00
186
+ ATOM 186 C PTH 1 89.5 89.57 18.1 0.00 0.00
187
+ ATOM 187 C PTH 1 89.5 89.57 19.1 0.00 0.00
188
+ ATOM 188 C PTH 1 89.5 89.57 20.1 0.00 0.00
189
+ ATOM 189 C PTH 1 89.5 89.57 21.1 0.00 0.00
190
+ ATOM 190 C PTH 1 89.5 89.57 22.1 0.00 0.00
191
+ ATOM 191 C PTH 1 89.5 89.57 23.1 0.00 0.00
192
+ ATOM 192 C PTH 1 89.5 89.57 24.1 0.00 0.00
193
+ ATOM 193 C PTH 1 89.5 89.57 25.1 0.00 0.00
194
+ ATOM 194 C PTH 1 89.5 90.57 17.1 0.00 0.00
195
+ ATOM 195 C PTH 1 89.5 90.57 18.1 0.00 0.00
196
+ ATOM 196 C PTH 1 89.5 90.57 19.1 0.00 0.00
197
+ ATOM 197 C PTH 1 89.5 90.57 20.1 0.00 0.00
198
+ ATOM 198 C PTH 1 89.5 90.57 21.1 0.00 0.00
199
+ ATOM 199 C PTH 1 89.5 90.57 22.1 0.00 0.00
200
+ ATOM 200 C PTH 1 89.5 90.57 23.1 0.00 0.00
201
+ ATOM 201 C PTH 1 89.5 90.57 24.1 0.00 0.00
202
+ ATOM 202 C PTH 1 89.5 90.57 25.1 0.00 0.00
203
+ ATOM 203 C PTH 1 89.5 91.57 17.1 0.00 0.00
204
+ ATOM 204 C PTH 1 89.5 91.57 18.1 0.00 0.00
205
+ ATOM 205 C PTH 1 89.5 91.57 19.1 0.00 0.00
206
+ ATOM 206 C PTH 1 89.5 91.57 20.1 0.00 0.00
207
+ ATOM 207 C PTH 1 89.5 91.57 21.1 0.00 0.00
208
+ ATOM 208 C PTH 1 89.5 91.57 22.1 0.00 0.00
209
+ ATOM 209 C PTH 1 89.5 91.57 23.1 0.00 0.00
210
+ ATOM 210 C PTH 1 89.5 91.57 24.1 0.00 0.00
211
+ ATOM 211 C PTH 1 89.5 91.57 25.1 0.00 0.00
212
+ ATOM 212 C PTH 1 89.5 92.57 18.1 0.00 0.00
213
+ ATOM 213 C PTH 1 89.5 92.57 19.1 0.00 0.00
214
+ ATOM 214 C PTH 1 89.5 92.57 20.1 0.00 0.00
215
+ ATOM 215 C PTH 1 89.5 92.57 21.1 0.00 0.00
216
+ ATOM 216 C PTH 1 89.5 92.57 22.1 0.00 0.00
217
+ ATOM 217 C PTH 1 89.5 92.57 23.1 0.00 0.00
218
+ ATOM 218 C PTH 1 89.5 92.57 24.1 0.00 0.00
219
+ ATOM 219 C PTH 1 89.5 92.57 25.1 0.00 0.00
220
+ ATOM 220 C PTH 1 89.5 93.57 19.1 0.00 0.00
221
+ ATOM 221 C PTH 1 89.5 93.57 20.1 0.00 0.00
222
+ ATOM 222 C PTH 1 89.5 93.57 21.1 0.00 0.00
223
+ ATOM 223 C PTH 1 89.5 93.57 22.1 0.00 0.00
224
+ ATOM 224 C PTH 1 89.5 93.57 23.1 0.00 0.00
225
+ ATOM 225 C PTH 1 89.5 93.57 24.1 0.00 0.00
226
+ ATOM 226 C PTH 1 89.5 93.57 25.1 0.00 0.00
227
+ ATOM 227 C PTH 1 89.5 94.57 20.1 0.00 0.00
228
+ ATOM 228 C PTH 1 89.5 94.57 21.1 0.00 0.00
229
+ ATOM 229 C PTH 1 89.5 94.57 22.1 0.00 0.00
230
+ ATOM 230 C PTH 1 89.5 94.57 23.1 0.00 0.00
231
+ ATOM 231 C PTH 1 89.5 94.57 24.1 0.00 0.00
232
+ ATOM 232 C PTH 1 89.5 95.57 20.1 0.00 0.00
233
+ ATOM 233 C PTH 1 89.5 95.57 21.1 0.00 0.00
234
+ ATOM 234 C PTH 1 89.5 95.57 22.1 0.00 0.00
235
+ ATOM 235 C PTH 1 89.5 95.57 23.1 0.00 0.00
236
+ ATOM 236 C PTH 1 89.5 95.57 24.1 0.00 0.00
237
+ ATOM 237 C PTH 1 89.5 96.57 21.1 0.00 0.00
238
+ ATOM 238 C PTH 1 89.5 96.57 22.1 0.00 0.00
239
+ ATOM 239 C PTH 1 89.5 96.57 23.1 0.00 0.00
240
+ ATOM 240 C PTH 1 89.5 96.57 24.1 0.00 0.00
241
+ ATOM 241 C PTH 1 89.5 97.57 21.1 0.00 0.00
242
+ ATOM 242 C PTH 1 89.5 97.57 22.1 0.00 0.00
243
+ ATOM 243 C PTH 1 89.5 97.57 23.1 0.00 0.00
244
+ ATOM 244 C PTH 1 89.5 98.57 22.1 0.00 0.00
245
+ ATOM 245 C PTH 1 90.5 87.57 20.1 0.00 0.00
246
+ ATOM 246 C PTH 1 90.5 87.57 21.1 0.00 0.00
247
+ ATOM 247 C PTH 1 90.5 88.57 18.1 0.00 0.00
248
+ ATOM 248 C PTH 1 90.5 88.57 19.1 0.00 0.00
249
+ ATOM 249 C PTH 1 90.5 88.57 20.1 0.00 0.00
250
+ ATOM 250 C PTH 1 90.5 88.57 21.1 0.00 0.00
251
+ ATOM 251 C PTH 1 90.5 88.57 22.1 0.00 0.00
252
+ ATOM 252 C PTH 1 90.5 89.57 17.1 0.00 0.00
253
+ ATOM 253 C PTH 1 90.5 89.57 18.1 0.00 0.00
254
+ ATOM 254 C PTH 1 90.5 89.57 19.1 0.00 0.00
255
+ ATOM 255 C PTH 1 90.5 89.57 20.1 0.00 0.00
256
+ ATOM 256 C PTH 1 90.5 89.57 21.1 0.00 0.00
257
+ ATOM 257 C PTH 1 90.5 89.57 23.1 0.00 0.00
258
+ ATOM 258 C PTH 1 90.5 89.57 24.1 0.00 0.00
259
+ ATOM 259 C PTH 1 90.5 89.57 25.1 0.00 0.00
260
+ ATOM 260 C PTH 1 90.5 90.57 17.1 0.00 0.00
261
+ ATOM 261 C PTH 1 90.5 90.57 18.1 0.00 0.00
262
+ ATOM 262 C PTH 1 90.5 90.57 19.1 0.00 0.00
263
+ ATOM 263 C PTH 1 90.5 90.57 20.1 0.00 0.00
264
+ ATOM 264 C PTH 1 90.5 90.57 21.1 0.00 0.00
265
+ ATOM 265 C PTH 1 90.5 90.57 22.1 0.00 0.00
266
+ ATOM 266 C PTH 1 90.5 90.57 23.1 0.00 0.00
267
+ ATOM 267 C PTH 1 90.5 90.57 24.1 0.00 0.00
268
+ ATOM 268 C PTH 1 90.5 90.57 25.1 0.00 0.00
269
+ ATOM 269 C PTH 1 90.5 91.57 17.1 0.00 0.00
270
+ ATOM 270 C PTH 1 90.5 91.57 18.1 0.00 0.00
271
+ ATOM 271 C PTH 1 90.5 91.57 19.1 0.00 0.00
272
+ ATOM 272 C PTH 1 90.5 91.57 20.1 0.00 0.00
273
+ ATOM 273 C PTH 1 90.5 91.57 21.1 0.00 0.00
274
+ ATOM 274 C PTH 1 90.5 91.57 22.1 0.00 0.00
275
+ ATOM 275 C PTH 1 90.5 91.57 23.1 0.00 0.00
276
+ ATOM 276 C PTH 1 90.5 91.57 24.1 0.00 0.00
277
+ ATOM 277 C PTH 1 90.5 91.57 25.1 0.00 0.00
278
+ ATOM 278 C PTH 1 90.5 92.57 18.1 0.00 0.00
279
+ ATOM 279 C PTH 1 90.5 92.57 19.1 0.00 0.00
280
+ ATOM 280 C PTH 1 90.5 92.57 20.1 0.00 0.00
281
+ ATOM 281 C PTH 1 90.5 92.57 21.1 0.00 0.00
282
+ ATOM 282 C PTH 1 90.5 92.57 22.1 0.00 0.00
283
+ ATOM 283 C PTH 1 90.5 92.57 23.1 0.00 0.00
284
+ ATOM 284 C PTH 1 90.5 92.57 24.1 0.00 0.00
285
+ ATOM 285 C PTH 1 91.5 89.57 18.1 0.00 0.00
286
+ ATOM 286 C PTH 1 91.5 89.57 19.1 0.00 0.00
287
+ ATOM 287 C PTH 1 91.5 90.57 18.1 0.00 0.00
288
+ ATOM 288 C PTH 1 91.5 90.57 19.1 0.00 0.00
289
+ ATOM 289 C PTH 1 91.5 90.57 20.1 0.00 0.00
290
+ ATOM 290 C PTH 1 91.5 90.57 24.1 0.00 0.00
291
+ ATOM 291 C PTH 1 91.5 91.57 18.1 0.00 0.00
292
+ ATOM 292 C PTH 1 91.5 91.57 19.1 0.00 0.00
293
+ ATOM 293 C PTH 1 91.5 91.57 20.1 0.00 0.00
data/files/A009M/pocket_04.pdb ADDED
@@ -0,0 +1,227 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 62.5 54.57 17.1 0.00 0.00
2
+ ATOM 2 C PTH 1 62.5 54.57 18.1 0.00 0.00
3
+ ATOM 3 C PTH 1 62.5 54.57 19.1 0.00 0.00
4
+ ATOM 4 C PTH 1 62.5 54.57 20.1 0.00 0.00
5
+ ATOM 5 C PTH 1 62.5 55.57 16.1 0.00 0.00
6
+ ATOM 6 C PTH 1 62.5 55.57 17.1 0.00 0.00
7
+ ATOM 7 C PTH 1 62.5 55.57 18.1 0.00 0.00
8
+ ATOM 8 C PTH 1 62.5 55.57 19.1 0.00 0.00
9
+ ATOM 9 C PTH 1 62.5 55.57 20.1 0.00 0.00
10
+ ATOM 10 C PTH 1 62.5 55.57 21.1 0.00 0.00
11
+ ATOM 11 C PTH 1 62.5 56.57 16.1 0.00 0.00
12
+ ATOM 12 C PTH 1 62.5 56.57 17.1 0.00 0.00
13
+ ATOM 13 C PTH 1 62.5 56.57 18.1 0.00 0.00
14
+ ATOM 14 C PTH 1 62.5 56.57 19.1 0.00 0.00
15
+ ATOM 15 C PTH 1 62.5 56.57 20.1 0.00 0.00
16
+ ATOM 16 C PTH 1 62.5 56.57 21.1 0.00 0.00
17
+ ATOM 17 C PTH 1 62.5 57.57 16.1 0.00 0.00
18
+ ATOM 18 C PTH 1 62.5 57.57 17.1 0.00 0.00
19
+ ATOM 19 C PTH 1 62.5 57.57 18.1 0.00 0.00
20
+ ATOM 20 C PTH 1 62.5 57.57 19.1 0.00 0.00
21
+ ATOM 21 C PTH 1 62.5 57.57 20.1 0.00 0.00
22
+ ATOM 22 C PTH 1 62.5 58.57 17.1 0.00 0.00
23
+ ATOM 23 C PTH 1 62.5 58.57 18.1 0.00 0.00
24
+ ATOM 24 C PTH 1 62.5 58.57 19.1 0.00 0.00
25
+ ATOM 25 C PTH 1 62.5 58.57 20.1 0.00 0.00
26
+ ATOM 26 C PTH 1 62.5 59.57 20.1 0.00 0.00
27
+ ATOM 27 C PTH 1 63.5 53.57 19.1 0.00 0.00
28
+ ATOM 28 C PTH 1 63.5 53.57 20.1 0.00 0.00
29
+ ATOM 29 C PTH 1 63.5 53.57 21.1 0.00 0.00
30
+ ATOM 30 C PTH 1 63.5 53.57 22.1 0.00 0.00
31
+ ATOM 31 C PTH 1 63.5 53.57 23.1 0.00 0.00
32
+ ATOM 32 C PTH 1 63.5 54.57 16.1 0.00 0.00
33
+ ATOM 33 C PTH 1 63.5 54.57 17.1 0.00 0.00
34
+ ATOM 34 C PTH 1 63.5 54.57 18.1 0.00 0.00
35
+ ATOM 35 C PTH 1 63.5 54.57 19.1 0.00 0.00
36
+ ATOM 36 C PTH 1 63.5 54.57 20.1 0.00 0.00
37
+ ATOM 37 C PTH 1 63.5 54.57 21.1 0.00 0.00
38
+ ATOM 38 C PTH 1 63.5 54.57 22.1 0.00 0.00
39
+ ATOM 39 C PTH 1 63.5 54.57 23.1 0.00 0.00
40
+ ATOM 40 C PTH 1 63.5 55.57 16.1 0.00 0.00
41
+ ATOM 41 C PTH 1 63.5 55.57 17.1 0.00 0.00
42
+ ATOM 42 C PTH 1 63.5 55.57 18.1 0.00 0.00
43
+ ATOM 43 C PTH 1 63.5 55.57 19.1 0.00 0.00
44
+ ATOM 44 C PTH 1 63.5 55.57 20.1 0.00 0.00
45
+ ATOM 45 C PTH 1 63.5 55.57 21.1 0.00 0.00
46
+ ATOM 46 C PTH 1 63.5 55.57 22.1 0.00 0.00
47
+ ATOM 47 C PTH 1 63.5 55.57 23.1 0.00 0.00
48
+ ATOM 48 C PTH 1 63.5 56.57 16.1 0.00 0.00
49
+ ATOM 49 C PTH 1 63.5 56.57 17.1 0.00 0.00
50
+ ATOM 50 C PTH 1 63.5 56.57 18.1 0.00 0.00
51
+ ATOM 51 C PTH 1 63.5 56.57 19.1 0.00 0.00
52
+ ATOM 52 C PTH 1 63.5 56.57 20.1 0.00 0.00
53
+ ATOM 53 C PTH 1 63.5 56.57 21.1 0.00 0.00
54
+ ATOM 54 C PTH 1 63.5 56.57 22.1 0.00 0.00
55
+ ATOM 55 C PTH 1 63.5 57.57 16.1 0.00 0.00
56
+ ATOM 56 C PTH 1 63.5 57.57 17.1 0.00 0.00
57
+ ATOM 57 C PTH 1 63.5 57.57 18.1 0.00 0.00
58
+ ATOM 58 C PTH 1 63.5 57.57 19.1 0.00 0.00
59
+ ATOM 59 C PTH 1 63.5 57.57 20.1 0.00 0.00
60
+ ATOM 60 C PTH 1 63.5 57.57 21.1 0.00 0.00
61
+ ATOM 61 C PTH 1 63.5 57.57 22.1 0.00 0.00
62
+ ATOM 62 C PTH 1 63.5 58.57 16.1 0.00 0.00
63
+ ATOM 63 C PTH 1 63.5 58.57 17.1 0.00 0.00
64
+ ATOM 64 C PTH 1 63.5 58.57 18.1 0.00 0.00
65
+ ATOM 65 C PTH 1 63.5 58.57 19.1 0.00 0.00
66
+ ATOM 66 C PTH 1 63.5 58.57 20.1 0.00 0.00
67
+ ATOM 67 C PTH 1 63.5 58.57 21.1 0.00 0.00
68
+ ATOM 68 C PTH 1 63.5 58.57 22.1 0.00 0.00
69
+ ATOM 69 C PTH 1 63.5 59.57 18.1 0.00 0.00
70
+ ATOM 70 C PTH 1 63.5 59.57 19.1 0.00 0.00
71
+ ATOM 71 C PTH 1 63.5 59.57 20.1 0.00 0.00
72
+ ATOM 72 C PTH 1 63.5 59.57 21.1 0.00 0.00
73
+ ATOM 73 C PTH 1 63.5 59.57 22.1 0.00 0.00
74
+ ATOM 74 C PTH 1 63.5 60.57 20.1 0.00 0.00
75
+ ATOM 75 C PTH 1 63.5 60.57 21.1 0.00 0.00
76
+ ATOM 76 C PTH 1 64.5 52.57 21.1 0.00 0.00
77
+ ATOM 77 C PTH 1 64.5 52.57 22.1 0.00 0.00
78
+ ATOM 78 C PTH 1 64.5 53.57 19.1 0.00 0.00
79
+ ATOM 79 C PTH 1 64.5 53.57 20.1 0.00 0.00
80
+ ATOM 80 C PTH 1 64.5 53.57 21.1 0.00 0.00
81
+ ATOM 81 C PTH 1 64.5 53.57 22.1 0.00 0.00
82
+ ATOM 82 C PTH 1 64.5 53.57 23.1 0.00 0.00
83
+ ATOM 83 C PTH 1 64.5 54.57 16.1 0.00 0.00
84
+ ATOM 84 C PTH 1 64.5 54.57 17.1 0.00 0.00
85
+ ATOM 85 C PTH 1 64.5 54.57 18.1 0.00 0.00
86
+ ATOM 86 C PTH 1 64.5 54.57 19.1 0.00 0.00
87
+ ATOM 87 C PTH 1 64.5 54.57 20.1 0.00 0.00
88
+ ATOM 88 C PTH 1 64.5 54.57 21.1 0.00 0.00
89
+ ATOM 89 C PTH 1 64.5 54.57 22.1 0.00 0.00
90
+ ATOM 90 C PTH 1 64.5 54.57 23.1 0.00 0.00
91
+ ATOM 91 C PTH 1 64.5 54.57 24.1 0.00 0.00
92
+ ATOM 92 C PTH 1 64.5 55.57 16.1 0.00 0.00
93
+ ATOM 93 C PTH 1 64.5 55.57 17.1 0.00 0.00
94
+ ATOM 94 C PTH 1 64.5 55.57 18.1 0.00 0.00
95
+ ATOM 95 C PTH 1 64.5 55.57 19.1 0.00 0.00
96
+ ATOM 96 C PTH 1 64.5 55.57 20.1 0.00 0.00
97
+ ATOM 97 C PTH 1 64.5 55.57 21.1 0.00 0.00
98
+ ATOM 98 C PTH 1 64.5 55.57 22.1 0.00 0.00
99
+ ATOM 99 C PTH 1 64.5 55.57 23.1 0.00 0.00
100
+ ATOM 100 C PTH 1 64.5 56.57 16.1 0.00 0.00
101
+ ATOM 101 C PTH 1 64.5 56.57 17.1 0.00 0.00
102
+ ATOM 102 C PTH 1 64.5 56.57 18.1 0.00 0.00
103
+ ATOM 103 C PTH 1 64.5 56.57 19.1 0.00 0.00
104
+ ATOM 104 C PTH 1 64.5 56.57 20.1 0.00 0.00
105
+ ATOM 105 C PTH 1 64.5 56.57 21.1 0.00 0.00
106
+ ATOM 106 C PTH 1 64.5 56.57 22.1 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
+ ATOM 127 C PTH 1 64.5 60.57 20.1 0.00 0.00
128
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129
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130
+ ATOM 130 C PTH 1 65.5 52.57 21.1 0.00 0.00
131
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132
+ ATOM 132 C PTH 1 65.5 53.57 20.1 0.00 0.00
133
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134
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135
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136
+ ATOM 136 C PTH 1 65.5 54.57 17.1 0.00 0.00
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
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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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157
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158
+ ATOM 158 C PTH 1 65.5 56.57 22.1 0.00 0.00
159
+ ATOM 159 C PTH 1 65.5 56.57 23.1 0.00 0.00
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
+ ATOM 167 C PTH 1 65.5 58.57 18.1 0.00 0.00
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
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177
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178
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179
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180
+ ATOM 180 C PTH 1 66.5 53.57 20.1 0.00 0.00
181
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182
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183
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184
+ ATOM 184 C PTH 1 66.5 54.57 19.1 0.00 0.00
185
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186
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187
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188
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189
+ ATOM 189 C PTH 1 66.5 55.57 18.1 0.00 0.00
190
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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
+ ATOM 195 C PTH 1 66.5 56.57 18.1 0.00 0.00
196
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197
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198
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199
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200
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201
+ ATOM 201 C PTH 1 66.5 57.57 18.1 0.00 0.00
202
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203
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204
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205
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206
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207
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208
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209
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210
+ ATOM 210 C PTH 1 66.5 58.57 22.1 0.00 0.00
211
+ ATOM 211 C PTH 1 66.5 59.57 19.1 0.00 0.00
212
+ ATOM 212 C PTH 1 66.5 59.57 20.1 0.00 0.00
213
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214
+ ATOM 214 C PTH 1 66.5 59.57 22.1 0.00 0.00
215
+ ATOM 215 C PTH 1 66.5 60.57 19.1 0.00 0.00
216
+ ATOM 216 C PTH 1 66.5 60.57 20.1 0.00 0.00
217
+ ATOM 217 C PTH 1 66.5 60.57 21.1 0.00 0.00
218
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219
+ ATOM 219 C PTH 1 66.5 61.57 20.1 0.00 0.00
220
+ ATOM 220 C PTH 1 66.5 61.57 21.1 0.00 0.00
221
+ ATOM 221 C PTH 1 66.5 61.57 22.1 0.00 0.00
222
+ ATOM 222 C PTH 1 67.5 60.57 20.1 0.00 0.00
223
+ ATOM 223 C PTH 1 67.5 60.57 21.1 0.00 0.00
224
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225
+ ATOM 225 C PTH 1 67.5 61.57 20.1 0.00 0.00
226
+ ATOM 226 C PTH 1 67.5 61.57 21.1 0.00 0.00
227
+ ATOM 227 C PTH 1 67.5 61.57 22.1 0.00 0.00
data/files/A009M/pocket_05.pdb ADDED
@@ -0,0 +1,199 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 61.5 93.57 65.1 0.00 0.00
2
+ ATOM 2 C PTH 1 61.5 93.57 66.1 0.00 0.00
3
+ ATOM 3 C PTH 1 61.5 94.57 65.1 0.00 0.00
4
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5
+ ATOM 5 C PTH 1 62.5 91.57 66.1 0.00 0.00
6
+ ATOM 6 C PTH 1 62.5 91.57 67.1 0.00 0.00
7
+ ATOM 7 C PTH 1 62.5 92.57 63.1 0.00 0.00
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
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18
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19
+ ATOM 19 C PTH 1 62.5 94.57 63.1 0.00 0.00
20
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21
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22
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23
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24
+ ATOM 24 C PTH 1 63.5 90.57 59.1 0.00 0.00
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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33
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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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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
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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
+ ATOM 61 C PTH 1 63.5 95.57 63.1 0.00 0.00
62
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63
+ ATOM 63 C PTH 1 63.5 95.57 65.1 0.00 0.00
64
+ ATOM 64 C PTH 1 64.5 90.57 59.1 0.00 0.00
65
+ ATOM 65 C PTH 1 64.5 91.57 58.1 0.00 0.00
66
+ ATOM 66 C PTH 1 64.5 91.57 59.1 0.00 0.00
67
+ ATOM 67 C PTH 1 64.5 91.57 60.1 0.00 0.00
68
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69
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70
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71
+ ATOM 71 C PTH 1 64.5 91.57 65.1 0.00 0.00
72
+ ATOM 72 C PTH 1 64.5 91.57 66.1 0.00 0.00
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
+ ATOM 79 C PTH 1 64.5 92.57 63.1 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
+ ATOM 85 C PTH 1 64.5 93.57 59.1 0.00 0.00
86
+ ATOM 86 C PTH 1 64.5 93.57 60.1 0.00 0.00
87
+ ATOM 87 C PTH 1 64.5 93.57 61.1 0.00 0.00
88
+ ATOM 88 C PTH 1 64.5 93.57 62.1 0.00 0.00
89
+ ATOM 89 C PTH 1 64.5 93.57 63.1 0.00 0.00
90
+ ATOM 90 C PTH 1 64.5 93.57 64.1 0.00 0.00
91
+ ATOM 91 C PTH 1 64.5 93.57 65.1 0.00 0.00
92
+ ATOM 92 C PTH 1 64.5 93.57 66.1 0.00 0.00
93
+ ATOM 93 C PTH 1 64.5 93.57 67.1 0.00 0.00
94
+ ATOM 94 C PTH 1 64.5 93.57 68.1 0.00 0.00
95
+ ATOM 95 C PTH 1 64.5 94.57 59.1 0.00 0.00
96
+ ATOM 96 C PTH 1 64.5 94.57 60.1 0.00 0.00
97
+ ATOM 97 C PTH 1 64.5 94.57 61.1 0.00 0.00
98
+ ATOM 98 C PTH 1 64.5 94.57 62.1 0.00 0.00
99
+ ATOM 99 C PTH 1 64.5 94.57 63.1 0.00 0.00
100
+ ATOM 100 C PTH 1 64.5 94.57 64.1 0.00 0.00
101
+ ATOM 101 C PTH 1 64.5 94.57 65.1 0.00 0.00
102
+ ATOM 102 C PTH 1 64.5 94.57 66.1 0.00 0.00
103
+ ATOM 103 C PTH 1 64.5 94.57 67.1 0.00 0.00
104
+ ATOM 104 C PTH 1 64.5 95.57 59.1 0.00 0.00
105
+ ATOM 105 C PTH 1 64.5 95.57 60.1 0.00 0.00
106
+ ATOM 106 C PTH 1 64.5 95.57 61.1 0.00 0.00
107
+ ATOM 107 C PTH 1 64.5 95.57 62.1 0.00 0.00
108
+ ATOM 108 C PTH 1 64.5 95.57 63.1 0.00 0.00
109
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data/files/A009M/pocket_06.pdb ADDED
@@ -0,0 +1,182 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
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data/files/A009M/pocket_08.pdb ADDED
@@ -0,0 +1,136 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 63.5 74.57 62.1 0.00 0.00
2
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5
+ ATOM 5 C PTH 1 63.5 75.57 62.1 0.00 0.00
6
+ ATOM 6 C PTH 1 63.5 75.57 63.1 0.00 0.00
7
+ ATOM 7 C PTH 1 63.5 75.57 64.1 0.00 0.00
8
+ ATOM 8 C PTH 1 63.5 76.57 61.1 0.00 0.00
9
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10
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11
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12
+ ATOM 12 C PTH 1 63.5 77.57 62.1 0.00 0.00
13
+ ATOM 13 C PTH 1 63.5 77.57 63.1 0.00 0.00
14
+ ATOM 14 C PTH 1 64.5 74.57 61.1 0.00 0.00
15
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16
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17
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18
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19
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20
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21
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23
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24
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25
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27
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28
+ ATOM 28 C PTH 1 64.5 76.57 65.1 0.00 0.00
29
+ ATOM 29 C PTH 1 64.5 77.57 61.1 0.00 0.00
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 64.5 78.57 62.1 0.00 0.00
35
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36
+ ATOM 36 C PTH 1 64.5 78.57 64.1 0.00 0.00
37
+ ATOM 37 C PTH 1 65.5 73.57 62.1 0.00 0.00
38
+ ATOM 38 C PTH 1 65.5 73.57 63.1 0.00 0.00
39
+ ATOM 39 C PTH 1 65.5 74.57 61.1 0.00 0.00
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
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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 66.5 73.57 63.1 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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88
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89
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90
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95
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96
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105
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106
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107
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108
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128
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+ ATOM 135 C PTH 1 68.5 77.57 64.1 0.00 0.00
136
+ ATOM 136 C PTH 1 68.5 77.57 65.1 0.00 0.00
data/files/A009M/pocket_09.pdb ADDED
@@ -0,0 +1,124 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ATOM 1 C PTH 1 87.5 91.57 34.1 0.00 0.00
2
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3
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4
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17
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21
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22
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23
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63
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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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72
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76
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78
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79
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80
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81
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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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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
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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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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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116
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117
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