<?xml version='1.0'?>
<!--
Copyright (c) 2002-2011, Jens Erik Nielsen, University College Dublin; 
Nathan A. Baker, Battelle Memorial Institute, Developed at the Pacific 
Northwest National Laboratory, operated by Battelle Memorial Institute, 
Pacific Northwest Division for the U.S. Department Energy.; 
Paul Czodrowski & Gerhard Klebe, University of Marburg.

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-->
<aminoacids>
  <residue>
    <name>ALA</name>
    <atom>
      <name>N</name>
      <x>1.201</x>
      <y>0.847</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>H</bond>
    </atom>
    <atom>
      <name>CA</name>
      <x>0.000</x>
      <y>0.000</y>
      <z>0.000</z>
      <bond>N</bond>
      <bond>C</bond>
      <bond>CB</bond>
      <bond>HA</bond>
    </atom>
    <atom>
      <name>C</name>
      <x>-1.250</x>
      <y>0.881</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>O</bond>
    </atom>
    <atom>
      <name>O</name>
      <x>-2.185</x>
      <y>0.660</y>
      <z>-0.784</z>
      <bond>C</bond>
    </atom>
    <atom>
      <name>CB</name>
      <x>0.020</x>
      <y>-0.927</y>
      <z>1.209</z>
      <bond>CA</bond>
      <bond>HB1</bond>
      <bond>HB2</bond>
      <bond>HB3</bond>
    </atom>
    <atom>
      <name>H</name>
      <altname>HN</altname>
      <x>1.201</x>
      <y>1.847</y>
      <z>0.000</z>
      <bond>N</bond>
    </atom>
    <atom>
      <name>HA</name>
      <x>0.000</x>
      <y>-0.557</y>
      <z>-0.831</z>
      <bond>CA</bond>
    </atom>
    <atom>
      <name>HB1</name>
      <altname>1HB</altname>
      <x>0.833</x>
      <y>-1.507</y>
      <z>1.171</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HB2</name>
      <altname>2HB</altname>
      <x>0.040</x>
      <y>-0.381</y>
      <z>2.047</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HB3</name>
      <altname>3HB</altname>
      <x>-0.799</x>
      <y>-1.500</y>
      <z>1.204</z>
      <bond>CB</bond>
    </atom>
  </residue>
  <residue>
    <name>ARG</name>
    <atom>
      <name>N</name>
      <x>1.201</x>
      <y>0.847</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>H</bond>
    </atom>
    <atom>
      <name>CA</name>
      <x>0.000</x>
      <y>0.000</y>
      <z>0.000</z>
      <bond>N</bond>
      <bond>C</bond>
      <bond>CB</bond>
      <bond>HA</bond>
    </atom>
    <atom>
      <name>C</name>
      <x>-1.250</x>
      <y>0.881</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>O</bond>
    </atom>
    <atom>
      <name>O</name>
      <x>-2.185</x>
      <y>0.660</y>
      <z>-0.784</z>
      <bond>C</bond>
    </atom>
    <atom>
      <name>CB</name>
      <x>-0.019</x>
      <y>-0.932</y>
      <z>1.222</z>
      <bond>CA</bond>
      <bond>CG</bond>
      <bond>HB2</bond>
      <bond>HB3</bond>
    </atom>
    <atom>
      <name>CG</name>
      <x>1.158</x>
      <y>-1.892</y>
      <z>1.324</z>
      <bond>CB</bond>
      <bond>CD</bond>
      <bond>HG2</bond>
      <bond>HG3</bond>
    </atom>
    <atom>
      <name>CD</name>
      <x>1.060</x>
      <y>-2.755</y>
      <z>2.534</z>
      <bond>CG</bond>
      <bond>NE</bond>
      <bond>HD2</bond>
      <bond>HD3</bond>
    </atom>
    <atom>
      <name>NE</name>
      <x>2.184</x>
      <y>-3.677</y>
      <z>2.638</z>
      <bond>CD</bond>
      <bond>CZ</bond>
      <bond>HE</bond>
    </atom>
    <atom>
      <name>CZ</name>
      <x>2.321</x>
      <y>-4.549</y>
      <z>3.631</z>
      <bond>NE</bond>
      <bond>NH1</bond>
      <bond>NH2</bond>
    </atom>
    <atom>
      <name>NH1</name>
      <x>1.541</x>
      <y>-4.507</y>
      <z>4.705</z>
      <bond>CZ</bond>
      <bond>HH11</bond>
      <bond>HH12</bond>
    </atom>
    <atom>
      <name>NH2</name>
      <x>3.296</x>
      <y>-5.454</y>
      <z>3.573</z>
      <bond>CZ</bond>
      <bond>HH21</bond>
      <bond>HH22</bond>
    </atom>
    <atom>
      <name>H</name>
      <altname>HN</altname>
      <x>1.201</x>
      <y>1.847</y>
      <z>0.000</z>
      <bond>N</bond>
    </atom>
    <atom>
      <name>HA</name>
      <x>0.000</x>
      <y>-0.558</y>
      <z>-0.830</z>
      <bond>CA</bond>
    </atom>
    <atom>
      <name>HB2</name>
      <altname>2HB</altname>
      <x>-0.027</x>
      <y>-0.363</y>
      <z>2.044</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HB3</name>
      <altname>1HB</altname>
      <altname>HB1</altname>
      <altname>3HB</altname>
      <x>-0.858</x>
      <y>-1.474</y>
      <z>1.184</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HG2</name>
      <altname>2HG</altname>
      <x>1.174</x>
      <y>-2.473</y>
      <z>0.510</z>
      <bond>CG</bond>
    </atom>
    <atom>
      <name>HG3</name>
      <altname>1HG</altname>
      <altname>HG1</altname>
      <altname>3HG</altname>
      <x>2.005</x>
      <y>-1.362</y>
      <z>1.371</z>
      <bond>CG</bond>
    </atom>
    <atom>
      <name>HD2</name>
      <altname>2HD</altname>
      <x>1.044</x>
      <y>-2.172</y>
      <z>3.346</z>
      <bond>CD</bond>
    </atom>
    <atom>
      <name>HD3</name>
      <altname>1HD</altname>
      <altname>HD1</altname>
      <altname>3HD</altname>
      <x>0.212</x>
      <y>-3.283</y>
      <z>2.485</z>
      <bond>CD</bond>
    </atom>
    <atom>
      <name>HE</name>
      <x>2.887</x>
      <y>-3.652</y>
      <z>1.927</z>
      <bond>NE</bond>
    </atom>
    <atom>
      <name>HH11</name>
      <altname>1HH1</altname>
      <x>0.817</x>
      <y>-3.820</y>
      <z>4.771</z>
      <bond>NH1</bond>
    </atom>
    <atom>
      <name>HH12</name>
      <altname>2HH1</altname>
      <x>1.676</x>
      <y>-5.163</y>
      <z>5.448</z>
      <bond>NH1</bond>
    </atom>
    <atom>
      <name>HH21</name>
      <altname>1HH2</altname>
      <x>3.903</x>
      <y>-5.485</y>
      <z>2.779</z>
      <bond>NH2</bond>
    </atom>
    <atom>
      <name>HH22</name>
      <altname>2HH2</altname>
      <x>3.420</x>
      <y>-6.103</y>
      <z>4.323</z>
      <bond>NH2</bond>
    </atom>
    <dihedral>N CA CB CG</dihedral>
    <dihedral>CA CB CG CD</dihedral>
    <dihedral>CB CG CD NE</dihedral>
    <dihedral>CG CD NE CZ</dihedral>
    <dihedral>CD NE CZ NH1</dihedral>
  </residue>
  <residue>
    <name>ASN</name>
    <atom>
      <name>N</name>
      <x>1.201</x>
      <y>0.847</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>H</bond>
    </atom>
    <atom>
      <name>CA</name>
      <x>0.000</x>
      <y>0.000</y>
      <z>0.000</z>
      <bond>N</bond>
      <bond>C</bond>
      <bond>CB</bond>
      <bond>HA</bond>
    </atom>
    <atom>
      <name>C</name>
      <x>-1.250</x>
      <y>0.881</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>O</bond>
    </atom>
    <atom>
      <name>O</name>
      <x>-2.185</x>
      <y>0.660</y>
      <z>-0.784</z>
      <bond>C</bond>
    </atom>
    <atom>
      <name>CB</name>
      <x>0.050</x>
      <y>-1.025</y>
      <z>1.129</z>
      <bond>CA</bond>
      <bond>CG</bond>
      <bond>HB2</bond>
      <bond>HB3</bond>
    </atom>
    <atom>
      <name>CG</name>
      <x>1.239</x>
      <y>-1.965</y>
      <z>1.044</z>
      <bond>CB</bond>
      <bond>OD1</bond>
      <bond>ND2</bond>
    </atom>
    <atom>
      <name>OD1</name>
      <x>2.060</x>
      <y>-1.867</y>
      <z>0.126</z>
      <bond>CG</bond>
    </atom>
    <atom>
      <name>ND2</name>
      <x>1.344</x>
      <y>-2.870</y>
      <z>2.015</z>
      <bond>CG</bond>
      <bond>HD21</bond>
      <bond>HD22</bond>
    </atom>
    <atom>
      <name>H</name>
      <altname>HN</altname>
      <x>1.201</x>
      <y>1.847</y>
      <z>0.000</z>
      <bond>N</bond>
    </atom>
    <atom>
      <name>HA</name>
      <x>0.000</x>
      <y>-0.510</y>
      <z>-0.860</z>
      <bond>CA</bond>
    </atom>
    <atom>
      <name>HB2</name>
      <altname>2HB</altname>
      <x>0.096</x>
      <y>-0.535</y>
      <z>2.000</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HB3</name>
      <altname>1HB</altname>
      <altname>HB1</altname>
      <altname>3HB</altname>
      <x>-0.788</x>
      <y>-1.571</y>
      <z>1.098</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HD21</name>
      <altname>1HD2</altname>
      <x>0.657</x>
      <y>-2.905</y>
      <z>2.741</z>
      <bond>ND2</bond>
    </atom>
    <atom>
      <name>HD22</name>
      <altname>2HD2</altname>
      <x>2.108</x>
      <y>-3.514</y>
      <z>2.018</z>
      <bond>ND2</bond>
    </atom>
    <dihedral>N CA CB CG</dihedral>
    <dihedral>CA CB CG OD1</dihedral>
  </residue>
  <residue>
    <name>ASP</name>
    <atom>
      <name>N</name>
      <x>1.201</x>
      <y>0.847</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>H</bond>
    </atom>
    <atom>
      <name>CA</name>
      <x>0.000</x>
      <y>0.000</y>
      <z>0.000</z>
      <bond>N</bond>
      <bond>C</bond>
      <bond>CB</bond>
      <bond>HA</bond>
    </atom>
    <atom>
      <name>C</name>
      <x>-1.250</x>
      <y>0.881</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>O</bond>
    </atom>
    <atom>
      <name>O</name>
      <x>-2.185</x>
      <y>0.660</y>
      <z>-0.784</z>
      <bond>C</bond>
    </atom>
    <atom>
      <name>CB</name>
      <x>0.043</x>
      <y>-1.017</y>
      <z>1.123</z>
      <bond>CA</bond>
      <bond>CG</bond>
      <bond>HB2</bond>
      <bond>HB3</bond>
    </atom>
    <atom>
      <name>CG</name>
      <x>1.229</x>
      <y>-1.966</y>
      <z>1.053</z>
      <bond>CB</bond>
      <bond>OD1</bond>
      <bond>OD2</bond>
    </atom>
    <atom>
      <name>OD1</name>
      <x>2.058</x>
      <y>-1.864</y>
      <z>0.127</z>
      <bond>CG</bond>
    </atom>
    <atom>
      <name>OD2</name>
      <x>1.319</x>
      <y>-2.810</y>
      <z>1.959</z>
      <bond>CG</bond>
    </atom>
    <atom>
      <name>H</name>
      <altname>HN</altname>
      <x>1.201</x>
      <y>1.847</y>
      <z>0.000</z>
      <bond>N</bond>
    </atom>
    <atom>
      <name>HA</name>
      <x>0.000</x>
      <y>-0.511</y>
      <z>-0.860</z>
      <bond>CA</bond>
    </atom>
    <atom>
      <name>HB2</name>
      <altname>2HB</altname>
      <x>0.086</x>
      <y>-0.524</y>
      <z>1.992</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HB3</name>
      <altname>1HB</altname>
      <altname>HB1</altname>
      <altname>3HB</altname>
      <x>-0.796</x>
      <y>-1.559</y>
      <z>1.089</z>
      <bond>CB</bond>
    </atom>
    <dihedral>N CA CB CG</dihedral>
    <dihedral>CA CB CG OD1</dihedral>
  </residue>
  <residue>
    <name>CYS</name>
    <atom>
      <name>N</name>
      <x>1.201</x>
      <y>0.847</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>H</bond>
    </atom>
    <atom>
      <name>CA</name>
      <x>0.000</x>
      <y>0.000</y>
      <z>0.000</z>
      <bond>N</bond>
      <bond>C</bond>
      <bond>CB</bond>
      <bond>HA</bond>
    </atom>
    <atom>
      <name>C</name>
      <x>-1.250</x>
      <y>0.881</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>O</bond>
    </atom>
    <atom>
      <name>O</name>
      <x>-2.185</x>
      <y>0.660</y>
      <z>-0.784</z>
      <bond>C</bond>
    </atom>
    <atom>
      <name>CB</name>
      <x>0.018</x>
      <y>-0.958</y>
      <z>1.184</z>
      <bond>CA</bond>
      <bond>SG</bond>
      <bond>HB2</bond>
      <bond>HB3</bond>
    </atom>
    <atom>
      <name>SG</name>
      <x>1.431</x>
      <y>-2.085</y>
      <z>1.212</z>
      <bond>CB</bond>
      <bond>HG</bond>
    </atom>
    <atom>
      <name>H</name>
      <altname>HN</altname>
      <x>1.201</x>
      <y>1.847</y>
      <z>0.000</z>
      <bond>N</bond>
    </atom>
    <atom>
      <name>HA</name>
      <x>0.000</x>
      <y>-0.542</y>
      <z>-0.840</z>
      <bond>CA</bond>
    </atom>
    <atom>
      <name>HB2</name>
      <altname>2HB</altname>
      <x>0.033</x>
      <y>-0.417</y>
      <z>2.024</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HB3</name>
      <altname>1HB</altname>
      <altname>HB1</altname>
      <altname>3HB</altname>
      <x>-0.818</x>
      <y>-1.506</y>
      <z>1.155</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HG</name>
      <altname>1HG</altname>
      <altname>HG1</altname>
      <x>2.014</x>
      <y>-1.908</y>
      <z>0.419</z>
      <bond>SG</bond>
    </atom>
    <dihedral>N CA CB SG</dihedral>
  </residue>
  <residue>
    <name>GLN</name>
    <atom>
      <name>N</name>
      <x>1.201</x>
      <y>0.847</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>H</bond>
    </atom>
    <atom>
      <name>CA</name>
      <x>0.000</x>
      <y>0.000</y>
      <z>0.000</z>
      <bond>N</bond>
      <bond>C</bond>
      <bond>CB</bond>
      <bond>HA</bond>
    </atom>
    <atom>
      <name>C</name>
      <x>-1.250</x>
      <y>0.881</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>O</bond>
    </atom>
    <atom>
      <name>O</name>
      <x>-2.185</x>
      <y>0.660</y>
      <z>-0.784</z>
      <bond>C</bond>
    </atom>
    <atom>
      <name>CB</name>
      <x>-0.018</x>
      <y>-0.986</y>
      <z>1.179</z>
      <bond>CA</bond>
      <bond>CG</bond>
      <bond>HB2</bond>
      <bond>HB3</bond>
    </atom>
    <atom>
      <name>CG</name>
      <x>1.159</x>
      <y>-1.939</y>
      <z>1.188</z>
      <bond>CB</bond>
      <bond>CD</bond>
      <bond>HG2</bond>
      <bond>HG3</bond>
    </atom>
    <atom>
      <name>CD</name>
      <x>1.117</x>
      <y>-2.896</y>
      <z>2.354</z>
      <bond>CG</bond>
      <bond>OE1</bond>
      <bond>NE2</bond>
    </atom>
    <atom>
      <name>OE1</name>
      <x>0.214</x>
      <y>-2.882</y>
      <z>3.191</z>
      <bond>CD</bond>
    </atom>
    <atom>
      <name>NE2</name>
      <x>2.144</x>
      <y>-3.752</y>
      <z>2.427</z>
      <bond>CD</bond>
      <bond>HE21</bond>
      <bond>HE22</bond>
    </atom>
    <atom>
      <name>H</name>
      <altname>HN</altname>
      <x>1.201</x>
      <y>1.847</y>
      <z>0.000</z>
      <bond>N</bond>
    </atom>
    <atom>
      <name>HA</name>
      <x>0.000</x>
      <y>-0.533</y>
      <z>-0.846</z>
      <bond>CA</bond>
    </atom>
    <atom>
      <name>HB2</name>
      <altname>2HB</altname>
      <x>-0.007</x>
      <y>-0.462</y>
      <z>2.030</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HB3</name>
      <altname>1HB</altname>
      <altname>HB1</altname>
      <altname>3HB</altname>
      <x>-0.860</x>
      <y>-1.524</y>
      <z>1.129</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HG2</name>
      <altname>2HG</altname>
      <x>1.151</x>
      <y>-2.468</y>
      <z>0.339</z>
      <bond>CG</bond>
    </atom>
    <atom>
      <name>HG3</name>
      <altname>1HG</altname>
      <altname>HG1</altname>
      <altname>3HG</altname>
      <x>2.004</x>
      <y>-1.406</y>
      <z>1.240</z>
      <bond>CG</bond>
    </atom>
    <atom>
      <name>HE21</name>
      <altname>1HE2</altname>
      <x>2.198</x>
      <y>-4.425</y>
      <z>3.196</z>
      <bond>NE2</bond>
    </atom>
    <atom>
      <name>HE22</name>
      <altname>2HE2</altname>
      <x>2.860</x>
      <y>-3.722</y>
      <z>1.713</z>
      <bond>NE2</bond>
    </atom>
    <dihedral>N CA CB CG</dihedral>
    <dihedral>CA CB CG CD</dihedral>
    <dihedral>CB CG CD OE1</dihedral>
  </residue>
  <residue>
    <name>GLU</name>
    <atom>
      <name>N</name>
      <x>1.201</x>
      <y>0.847</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>H</bond>
    </atom>
    <atom>
      <name>CA</name>
      <x>0.000</x>
      <y>0.000</y>
      <z>0.000</z>
      <bond>N</bond>
      <bond>C</bond>
      <bond>CB</bond>
      <bond>HA</bond>
    </atom>
    <atom>
      <name>C</name>
      <x>-1.250</x>
      <y>0.881</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>O</bond>
    </atom>
    <atom>
      <name>O</name>
      <x>-2.185</x>
      <y>0.660</y>
      <z>-0.784</z>
      <bond>C</bond>
    </atom>
    <atom>
      <name>CB</name>
      <x>-0.059</x>
      <y>-0.875</y>
      <z>1.258</z>
      <bond>CA</bond>
      <bond>CG</bond>
      <bond>HB2</bond>
      <bond>HB3</bond>
    </atom>
    <atom>
      <name>CG</name>
      <x>1.082</x>
      <y>-1.850</y>
      <z>1.501</z>
      <bond>CB</bond>
      <bond>CD</bond>
      <bond>HG2</bond>
      <bond>HG3</bond>
    </atom>
    <atom>
      <name>CD</name>
      <x>0.990</x>
      <y>-2.687</y>
      <z>2.740</z>
      <bond>CG</bond>
      <bond>OE1</bond>
      <bond>OE2</bond>
    </atom>
    <atom>
      <name>OE1</name>
      <x>0.067</x>
      <y>-2.624</y>
      <z>3.539</z>
      <bond>CD</bond>
    </atom>
    <atom>
      <name>OE2</name>
      <x>1.970</x>
      <y>-3.449</y>
      <z>2.871</z>
      <bond>CD</bond>
    </atom>
    <atom>
      <name>H</name>
      <altname>HN</altname>
      <x>1.201</x>
      <y>1.847</y>
      <z>0.000</z>
      <bond>N</bond>
    </atom>
    <atom>
      <name>HA</name>
      <x>0.000</x>
      <y>-0.582</y>
      <z>-0.813</z>
      <bond>CA</bond>
    </atom>
    <atom>
      <name>HB2</name>
      <altname>2HB</altname>
      <x>-0.099</x>
      <y>-0.260</y>
      <z>2.046</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HB3</name>
      <altname>1HB</altname>
      <altname>HB1</altname>
      <altname>3HB</altname>
      <x>-0.903</x>
      <y>-1.409</y>
      <z>1.210</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HG2</name>
      <altname>2HG</altname>
      <x>1.124</x>
      <y>-2.469</y>
      <z>0.717</z>
      <bond>CG</bond>
    </atom>
    <atom>
      <name>HG3</name>
      <altname>1HG</altname>
      <altname>HG1</altname>
      <altname>3HG</altname>
      <x>1.929</x>
      <y>-1.321</y>
      <z>1.553</z>
      <bond>CG</bond>
    </atom>
    <dihedral>N CA CB CG</dihedral>
    <dihedral>CA CB CG CD</dihedral>
    <dihedral>CB CG CD OE1</dihedral>
  </residue>
  <residue>
    <name>GLY</name>
    <atom>
      <name>N</name>
      <x>1.201</x>
      <y>0.847</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>H</bond>
    </atom>
    <atom>
      <name>CA</name>
      <x>0.000</x>
      <y>0.000</y>
      <z>0.000</z>
      <bond>N</bond>
      <bond>C</bond>
      <bond>HA2</bond>
      <bond>HA3</bond>
    </atom>
    <atom>
      <name>C</name>
      <x>-1.250</x>
      <y>0.881</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>O</bond>
    </atom>
    <atom>
      <name>O</name>
      <x>-2.185</x>
      <y>0.660</y>
      <z>-0.784</z>
      <bond>C</bond>
    </atom>
    <atom>
      <name>H</name>
      <altname>HN</altname>
      <x>1.201</x>
      <y>1.847</y>
      <z>0.000</z>
      <bond>N</bond>
    </atom>
    <atom>
      <name>HA2</name>
      <altname>2HA</altname>
      <x>0.000</x>
      <y>-0.577</y>
      <z>-0.816</z>
      <bond>CA</bond>
    </atom>
    <atom>
      <name>HA3</name>
      <altname>1HA</altname>
      <altname>HA1</altname>
      <altname>3HA</altname>
      <x>0.000</x>
      <y>-0.577</y>
      <z>0.816</z>
      <bond>CA</bond>
    </atom>
  </residue>
  <residue>
    <name>HIS</name>
    <atom>
      <name>N</name>
      <x>1.201</x>
      <y>0.847</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>H</bond>
    </atom>
    <atom>
      <name>CA</name>
      <x>0.000</x>
      <y>0.000</y>
      <z>0.000</z>
      <bond>N</bond>
      <bond>C</bond>
      <bond>CB</bond>
      <bond>HA</bond>
    </atom>
    <atom>
      <name>C</name>
      <x>-1.250</x>
      <y>0.881</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>O</bond>
    </atom>
    <atom>
      <name>O</name>
      <x>-2.185</x>
      <y>0.660</y>
      <z>-0.784</z>
      <bond>C</bond>
    </atom>
    <atom>
      <name>CB</name>
      <x>-0.062</x>
      <y>-0.963</y>
      <z>1.211</z>
      <bond>CA</bond>
      <bond>CG</bond>
      <bond>HB2</bond>
      <bond>HB3</bond>
    </atom>
    <atom>
      <name>CG</name>
      <x>1.102</x>
      <y>-1.908</y>
      <z>1.266</z>
      <bond>CB</bond>
      <bond>ND1</bond>
      <bond>CD2</bond>
    </atom>
    <atom>
      <name>ND1</name>
      <x>2.279</x>
      <y>-1.643</y>
      <z>1.921</z>
      <bond>CG</bond>
      <bond>CE1</bond>
      <bond>HD1</bond>
    </atom>
    <atom>
      <name>CD2</name>
      <x>1.195</x>
      <y>-3.189</y>
      <z>0.838</z>
      <bond>CG</bond>
      <bond>NE2</bond>
      <bond>HD2</bond>
    </atom>
    <atom>
      <name>CE1</name>
      <x>3.044</x>
      <y>-2.718</y>
      <z>1.891</z>
      <bond>ND1</bond>
      <bond>NE2</bond>
      <bond>HE1</bond>
    </atom>
    <atom>
      <name>NE2</name>
      <x>2.411</x>
      <y>-3.674</y>
      <z>1.242</z>
      <bond>CD2</bond>
      <bond>CE1</bond>
      <bond>HE2</bond>
    </atom>
    <atom>
      <name>H</name>
      <altname>HN</altname>
      <x>1.201</x>
      <y>1.847</y>
      <z>0.000</z>
      <bond>N</bond>
    </atom>
    <atom>
      <name>HA</name>
      <x>0.000</x>
      <y>-0.547</y>
      <z>-0.837</z>
      <bond>CA</bond>
    </atom>
    <atom>
      <name>HB2</name>
      <altname>2HB</altname>
      <x>-0.073</x>
      <y>-0.420</y>
      <z>2.051</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HB3</name>
      <altname>1HB</altname>
      <altname>HB1</altname>
      <altname>3HB</altname>
      <x>-0.905</x>
      <y>-1.498</y>
      <z>1.150</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HD1</name>
      <x>2.518</x>
      <y>-0.773</y>
      <z>2.353</z>
      <bond>ND1</bond>
    </atom>
    <atom>
      <name>HD2</name>
      <x>0.502</x>
      <y>-3.690</y>
      <z>0.320</z>
      <bond>CD2</bond>
    </atom>
    <atom>
      <name>HE1</name>
      <x>3.956</x>
      <y>-2.794</y>
      <z>2.294</z>
      <bond>CE1</bond>
    </atom>
    <atom>
      <name>HE2</name>
      <x>2.758</x>
      <y>-4.596</y>
      <z>1.074</z>
      <bond>NE2</bond>
    </atom>
    <dihedral>N CA CB CG</dihedral>
    <dihedral>CA CB CG ND1</dihedral>
  </residue>
  <residue>
    <name>ILE</name>
    <atom>
      <name>N</name>
      <x>1.201</x>
      <y>0.847</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>H</bond>
    </atom>
    <atom>
      <name>CA</name>
      <x>0.000</x>
      <y>0.000</y>
      <z>0.000</z>
      <bond>N</bond>
      <bond>C</bond>
      <bond>CB</bond>
      <bond>HA</bond>
    </atom>
    <atom>
      <name>C</name>
      <x>-1.250</x>
      <y>0.881</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>O</bond>
    </atom>
    <atom>
      <name>O</name>
      <x>-2.185</x>
      <y>0.660</y>
      <z>-0.784</z>
      <bond>C</bond>
    </atom>
    <atom>
      <name>CB</name>
      <x>-0.007</x>
      <y>-1.019</y>
      <z>1.136</z>
      <bond>CA</bond>
      <bond>CG1</bond>
      <bond>CG2</bond>
      <bond>HB</bond>
    </atom>
    <atom>
      <name>CG1</name>
      <x>1.225</x>
      <y>-1.901</y>
      <z>1.072</z>
      <bond>CB</bond>
      <bond>CD1</bond>
      <bond>HG12</bond>
      <bond>HG13</bond>
    </atom>
    <atom>
      <name>CG2</name>
      <x>-1.270</x>
      <y>-1.850</y>
      <z>1.097</z>
      <bond>CB</bond>
      <bond>HG21</bond>
      <bond>HG22</bond>
      <bond>HG23</bond>
    </atom>
    <atom>
      <name>CD1</name>
      <altname>CD</altname>
      <x>1.520</x>
      <y>-2.610</y>
      <z>2.373</z>
      <bond>CG1</bond>
      <bond>HD11</bond>
      <bond>HD12</bond>
      <bond>HD13</bond>
    </atom>
    <atom>
      <name>H</name>
      <altname>HN</altname>
      <x>1.201</x>
      <y>1.847</y>
      <z>0.000</z>
      <!-- Originally 
      <x>2.100</x>
      <y>0.413</y>
      <z>0.012</z> -->
      <bond>N</bond>
    </atom>
    <atom>
      <name>HA</name>
      <x>0.005</x>
      <y>-0.490</y>
      <z>-0.870</z>
      <bond>CA</bond>
    </atom>
    <atom>
      <name>HB</name>
      <x>0.012</x>
      <y>-0.520</y>
      <z>2.000</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HG12</name>
      <altname>2HG1</altname>
      <x>1.095</x>
      <y>-2.583</y>
      <z>0.355</z>
      <bond>CG1</bond>
    </atom>
    <atom>
      <name>HG13</name>
      <altname>1HG1</altname>
      <altname>HG11</altname>
      <altname>3HG1</altname>
      <x>2.011</x>
      <y>-1.332</y>
      <z>0.834</z>
      <bond>CG1</bond>
    </atom>
    <atom>
      <name>HG21</name>
      <altname>1HG2</altname>
      <x>-1.315</x>
      <y>-2.357</y>
      <z>0.236</z>
      <bond>CG2</bond>
    </atom>
    <atom>
      <name>HG22</name>
      <altname>2HG2</altname>
      <x>-1.266</x>
      <y>-2.490</y>
      <z>1.865</z>
      <bond>CG2</bond>
    </atom>
    <atom>
      <name>HG23</name>
      <altname>3HG2</altname>
      <x>-2.063</x>
      <y>-1.247</y>
      <z>1.174</z>
      <bond>CG2</bond>
    </atom>
    <atom>
      <name>HD11</name>
      <altname>1HD1</altname>
      <altname>HD1</altname>
      <x>0.760</x>
      <y>-3.218</y>
      <z>2.600</z>
      <bond>CD1</bond>
    </atom>
    <atom>
      <name>HD12</name>
      <altname>2HD1</altname>
      <altname>HD2</altname>
      <x>2.360</x>
      <y>-3.145</y>
      <z>2.280</z>
      <bond>CD1</bond>
    </atom>
    <atom>
      <name>HD13</name>
      <altname>3HD1</altname>
      <altname>HD3</altname>
      <x>1.634</x>
      <y>-1.935</y>
      <z>3.101</z>
      <bond>CD1</bond>
    </atom>
    <dihedral>N CA CB CG1</dihedral>
    <dihedral>CA CB CG1 CD1</dihedral>
  </residue>
  <residue>
    <name>LEU</name>
    <atom>
      <name>N</name>
      <x>1.201</x>
      <y>0.847</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>H</bond>
    </atom>
    <atom>
      <name>CA</name>
      <x>0.000</x>
      <y>0.000</y>
      <z>0.000</z>
      <bond>N</bond>
      <bond>C</bond>
      <bond>CB</bond>
      <bond>HA</bond>
    </atom>
    <atom>
      <name>C</name>
      <x>-1.250</x>
      <y>0.881</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>O</bond>
    </atom>
    <atom>
      <name>O</name>
      <x>-2.185</x>
      <y>0.660</y>
      <z>-0.784</z>
      <bond>C</bond>
    </atom>
    <atom>
      <name>CB</name>
      <x>0.099</x>
      <y>-0.942</y>
      <z>1.206</z>
      <bond>CA</bond>
      <bond>CG</bond>
      <bond>HB2</bond>
      <bond>HB3</bond>
    </atom>
    <atom>
      <name>CG</name>
      <x>1.297</x>
      <y>-1.879</y>
      <z>1.254</z>
      <bond>CB</bond>
      <bond>CD1</bond>
      <bond>CD2</bond>
      <bond>HG</bond>
    </atom>
    <atom>
      <name>CD1</name>
      <x>1.249</x>
      <y>-2.745</y>
      <z>2.508</z>
      <bond>CG</bond>
      <bond>HD11</bond>
      <bond>HD12</bond>
      <bond>HD13</bond>
    </atom>
    <atom>
      <name>CD2</name>
      <x>1.275</x>
      <y>-2.755</y>
      <z>0.006</z>
      <bond>CG</bond>
      <bond>HD21</bond>
      <bond>HD22</bond>
      <bond>HD23</bond>
    </atom>
    <atom>
      <name>H</name>
      <altname>HN</altname>
      <x>1.201</x>
      <y>1.847</y>
      <z>0.000</z>
      <bond>N</bond>
    </atom>
    <atom>
      <name>HA</name>
      <x>0.000</x>
      <y>-0.551</y>
      <z>-0.834</z>
      <bond>CA</bond>
    </atom>
    <atom>
      <name>HB2</name>
      <altname>2HB</altname>
      <x>0.127</x>
      <y>-0.375</y>
      <z>2.030</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HB3</name>
      <altname>1HB</altname>
      <altname>HB1</altname>
      <altname>3HB</altname>
      <x>-0.726</x>
      <y>-1.506</y>
      <z>1.217</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HG</name>
      <x>2.138</x>
      <y>-1.338</y>
      <z>1.260</z>
      <bond>CG</bond>
    </atom>
    <atom>
      <name>HD11</name>
      <altname>1HD1</altname>
      <x>1.263</x>
      <y>-2.159</y>
      <z>3.318</z>
      <bond>CD1</bond>
    </atom>
    <atom>
      <name>HD12</name>
      <altname>2HD1</altname>
      <x>0.410</x>
      <y>-3.289</y>
      <z>2.505</z>
      <bond>CD1</bond>
    </atom>
    <atom>
      <name>HD13</name>
      <altname>3HD1</altname>
      <x>2.042</x>
      <y>-3.354</y>
      <z>2.523</z>
      <bond>CD1</bond>
    </atom>
    <atom>
      <name>HD21</name>
      <altname>1HD2</altname>
      <x>0.427</x>
      <y>-3.285</y>
      <z>-0.014</z>
      <bond>CD2</bond>
    </atom>
    <atom>
      <name>HD22</name>
      <altname>2HD2</altname>
      <x>1.326</x>
      <y>-2.177</y>
      <z>-0.808</z>
      <bond>CD2</bond>
    </atom>
    <atom>
      <name>HD23</name>
      <altname>3HD2</altname>
      <x>2.057</x>
      <y>-3.378</y>
      <z>0.022</z>
      <bond>CD2</bond>
    </atom>
    <dihedral>N CA CB CG</dihedral>
    <dihedral>CA CB CG CD1</dihedral>
  </residue>
  <residue>
    <name>LYS</name>
    <atom>
      <name>N</name>
      <x>1.201</x>
      <y>0.847</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>H</bond>
    </atom>
    <atom>
      <name>CA</name>
      <x>0.000</x>
      <y>0.000</y>
      <z>0.000</z>
      <bond>N</bond>
      <bond>C</bond>
      <bond>CB</bond>
      <bond>HA</bond>
    </atom>
    <atom>
      <name>C</name>
      <x>-1.250</x>
      <y>0.881</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>O</bond>
    </atom>
    <atom>
      <name>O</name>
      <x>-2.185</x>
      <y>0.660</y>
      <z>-0.784</z>
      <bond>C</bond>
    </atom>
    <atom>
      <name>CB</name>
      <x>-0.030</x>
      <y>-0.922</y>
      <z>1.219</z>
      <bond>CA</bond>
      <bond>CG</bond>
      <bond>HB2</bond>
      <bond>HB3</bond>
    </atom>
    <atom>
      <name>CG</name>
      <x>1.154</x>
      <y>-1.877</y>
      <z>1.315</z>
      <bond>CB</bond>
      <bond>CD</bond>
      <bond>HG2</bond>
      <bond>HG3</bond>
    </atom>
    <atom>
      <name>CD</name>
      <x>1.060</x>
      <y>-2.763</y>
      <z>2.546</z>
      <bond>CG</bond>
      <bond>CE</bond>
      <bond>HD2</bond>
      <bond>HD3</bond>
    </atom>
    <atom>
      <name>CE</name>
      <x>2.224</x>
      <y>-3.719</y>
      <z>2.663</z>
      <bond>CD</bond>
      <bond>NZ</bond>
      <bond>HE2</bond>
      <bond>HE3</bond>
    </atom>
    <atom>
      <name>NZ</name>
      <x>2.090</x>
      <y>-4.562</y>
      <z>3.878</z>
      <bond>CE</bond>
      <bond>HZ1</bond>
      <bond>HZ2</bond>
      <bond>HZ3</bond>
    </atom>
    <atom>
      <name>H</name>
      <altname>HN</altname>
      <x>1.201</x>
      <y>1.847</y>
      <z>0.000</z>
      <bond>N</bond>
    </atom>
    <atom>
      <name>HA</name>
      <x>0.000</x>
      <y>-0.560</y>
      <z>-0.829</z>
      <bond>CA</bond>
    </atom>
    <atom>
      <name>HB2</name>
      <altname>2HB</altname>
      <x>-0.040</x>
      <y>-0.354</y>
      <z>2.041</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HB3</name>
      <altname>1HB</altname>
      <altname>HB1</altname>
      <altname>3HB</altname>
      <x>-0.868</x>
      <y>-1.466</y>
      <z>1.179</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HG2</name>
      <altname>2HG</altname>
      <x>1.171</x>
      <y>-2.456</y>
      <z>0.499</z>
      <bond>CG</bond>
    </atom>
    <atom>
      <name>HG3</name>
      <altname>1HG</altname>
      <altname>HG1</altname>
      <altname>3HG</altname>
      <x>1.999</x>
      <y>-1.344</y>
      <z>1.362</z>
      <bond>CG</bond>
    </atom>
    <atom>
      <name>HD2</name>
      <altname>2HD</altname>
      <x>1.040</x>
      <y>-2.180</y>
      <z>3.359</z>
      <bond>CD</bond>
    </atom>
    <atom>
      <name>HD3</name>
      <altname>1HD</altname>
      <altname>HD1</altname>
      <altname>3HD</altname>
      <x>0.213</x>
      <y>-3.293</y>
      <z>2.496</z>
      <bond>CD</bond>
    </atom>
    <atom>
      <name>HE2</name>
      <altname>2HE</altname>
      <x>2.248</x>
      <y>-4.308</y>
      <z>1.855</z>
      <bond>CE</bond>
    </atom>
    <atom>
      <name>HE3</name>
      <altname>1HE</altname>
      <altname>HE1</altname>
      <altname>3HE</altname>
      <x>3.075</x>
      <y>-3.196</y>
      <z>2.718</z>
      <bond>CE</bond>
    </atom>
    <atom>
      <name>HZ1</name>
      <altname>1HZ</altname>
      <x>2.070</x>
      <y>-3.977</y>
      <z>4.689</z>
      <bond>NZ</bond>
    </atom>
    <atom>
      <name>HZ2</name>
      <altname>2HZ</altname>
      <x>1.242</x>
      <y>-5.089</y>
      <z>3.826</z>
      <bond>NZ</bond>
    </atom>
    <atom>
      <name>HZ3</name>
      <altname>3HZ</altname>
      <x>2.868</x>
      <y>-5.187</y>
      <z>3.938</z>
      <bond>NZ</bond>
    </atom>
    <dihedral>N CA CB CG</dihedral>
    <dihedral>CA CB CG CD</dihedral>
    <dihedral>CB CG CD CE</dihedral>
    <dihedral>CG CD CE NZ</dihedral>
    <dihedral>CD CE NZ HZ1</dihedral>
  </residue>
  <residue>
    <name>MET</name>
    <atom>
      <name>N</name>
      <x>1.201</x>
      <y>0.847</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>H</bond>
    </atom>
    <atom>
      <name>CA</name>
      <x>0.000</x>
      <y>0.000</y>
      <z>0.000</z>
      <bond>N</bond>
      <bond>C</bond>
      <bond>CB</bond>
      <bond>HA</bond>
    </atom>
    <atom>
      <name>C</name>
      <x>-1.250</x>
      <y>0.881</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>O</bond>
    </atom>
    <atom>
      <name>O</name>
      <x>-2.185</x>
      <y>0.660</y>
      <z>-0.784</z>
      <bond>C</bond>
    </atom>
    <atom>
      <name>CB</name>
      <x>0.022</x>
      <y>-0.966</y>
      <z>1.181</z>
      <bond>CA</bond>
      <bond>CG</bond>
      <bond>HB2</bond>
      <bond>HB3</bond>
    </atom>
    <atom>
      <name>CG</name>
      <x>1.224</x>
      <y>-1.872</y>
      <z>1.131</z>
      <bond>CB</bond>
      <bond>SD</bond>
      <bond>HG2</bond>
      <bond>HG3</bond>
    </atom>
    <atom>
      <name>SD</name>
      <x>1.131</x>
      <y>-2.818</y>
      <z>-0.431</z>
      <bond>CG</bond>
      <bond>CE</bond>
    </atom>
    <atom>
      <name>CE</name>
      <x>-0.436</x>
      <y>-3.661</y>
      <z>-0.189</z>
      <bond>SD</bond>
      <bond>HE1</bond>
      <bond>HE2</bond>
      <bond>HE3</bond>
    </atom>
    <atom>
      <name>H</name>
      <altname>HN</altname>
      <x>1.201</x>
      <y>1.847</y>
      <z>0.000</z>
      <bond>N</bond>
    </atom>
    <atom>
      <name>HA</name>
      <x>0.000</x>
      <y>-0.539</y>
      <z>-0.842</z>
      <bond>CA</bond>
    </atom>
    <atom>
      <name>HB2</name>
      <altname>2HB</altname>
      <x>0.047</x>
      <y>-0.440</y>
      <z>2.031</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HB3</name>
      <altname>1HB</altname>
      <altname>HB1</altname>
      <altname>3HB</altname>
      <x>-0.807</x>
      <y>-1.525</y>
      <z>1.159</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HG2</name>
      <altname>2HG</altname>
      <x>2.063</x>
      <y>-1.328</y>
      <z>1.152</z>
      <bond>CG</bond>
    </atom>
    <atom>
      <name>HG3</name>
      <altname>1HG</altname>
      <altname>HG1</altname>
      <altname>3HG</altname>
      <x>1.214</x>
      <y>-2.498</y>
      <z>1.911</z>
      <bond>CG</bond>
    </atom>
    <atom>
      <name>HE1</name>
      <altname>1HE</altname>
      <x>-0.384</x>
      <y>-4.233</y>
      <z>0.630</z>
      <bond>CE</bond>
    </atom>
    <atom>
      <name>HE2</name>
      <altname>2HE</altname>
      <x>-1.165</x>
      <y>-2.986</y>
      <z>-0.078</z>
      <bond>CE</bond>
    </atom>
    <atom>
      <name>HE3</name>
      <altname>3HE</altname>
      <x>-0.632</x>
      <y>-4.236</y>
      <z>-0.984</z>
      <bond>CE</bond>
    </atom>
    <dihedral>N CA CB CG</dihedral>
    <dihedral>CA CB CG SD</dihedral>
    <dihedral>CB CG SD CE</dihedral>
  </residue>
  <residue>
    <name>PHE</name>
    <atom>
      <name>N</name>
      <x>1.201</x>
      <y>0.847</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>H</bond>
    </atom>
    <atom>
      <name>CA</name>
      <x>0.000</x>
      <y>0.000</y>
      <z>0.000</z>
      <bond>N</bond>
      <bond>C</bond>
      <bond>CB</bond>
      <bond>HA</bond>
    </atom>
    <atom>
      <name>C</name>
      <x>-1.250</x>
      <y>0.881</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>O</bond>
    </atom>
    <atom>
      <name>O</name>
      <x>-2.185</x>
      <y>0.660</y>
      <z>-0.784</z>
      <bond>C</bond>
    </atom>
    <atom>
      <name>CB</name>
      <x>0.017</x>
      <y>-1.035</y>
      <z>1.114</z>
      <bond>CA</bond>
      <bond>CG</bond>
      <bond>HB2</bond>
      <bond>HB3</bond>
    </atom>
    <atom>
      <name>CG</name>
      <x>1.156</x>
      <y>-2.010</y>
      <z>1.091</z>
      <bond>CB</bond>
      <bond>CD1</bond>
      <bond>CD2</bond>
    </atom>
    <atom>
      <name>CD1</name>
      <x>2.341</x>
      <y>-1.718</y>
      <z>1.764</z>
      <bond>CG</bond>
      <bond>CE1</bond>
      <bond>HD1</bond>
    </atom>
    <atom>
      <name>CD2</name>
      <x>1.041</x>
      <y>-3.224</y>
      <z>0.417</z>
      <bond>CG</bond>
      <bond>CE2</bond>
      <bond>HD2</bond>
    </atom>
    <atom>
      <name>CE1</name>
      <x>3.404</x>
      <y>-2.603</y>
      <z>1.765</z>
      <bond>CD1</bond>
      <bond>CZ</bond>
      <bond>HE1</bond>
    </atom>
    <atom>
      <name>CE2</name>
      <x>2.093</x>
      <y>-4.138</y>
      <z>0.397</z>
      <bond>CD2</bond>
      <bond>CZ</bond>
      <bond>HE2</bond>
    </atom>
    <atom>
      <name>CZ</name>
      <x>3.288</x>
      <y>-3.808</y>
      <z>1.062</z>
      <bond>CE1</bond>
      <bond>CE2</bond>
      <bond>HZ</bond>
    </atom>
    <atom>
      <name>H</name>
      <altname>HN</altname>
      <x>1.201</x>
      <y>1.847</y>
      <z>0.000</z>
      <bond>N</bond>
    </atom>
    <atom>
      <name>HA</name>
      <x>0.000</x>
      <y>-0.503</y>
      <z>-0.864</z>
      <bond>CA</bond>
    </atom>
    <atom>
      <name>HB2</name>
      <altname>2HB</altname>
      <x>0.052</x>
      <y>-0.546</y>
      <z>1.985</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HB3</name>
      <altname>1HB</altname>
      <altname>HB1</altname>
      <altname>3HB</altname>
      <x>-0.833</x>
      <y>-1.558</y>
      <z>1.058</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HD1</name>
      <altname>1HD</altname>
      <x>2.424</x>
      <y>-0.852</y>
      <z>2.257</z>
      <bond>CD1</bond>
    </atom>
    <atom>
      <name>HD2</name>
      <altname>2HD</altname>
      <x>0.189</x>
      <y>-3.444</y>
      <z>-0.060</z>
      <bond>CD2</bond>
    </atom>
    <atom>
      <name>HE1</name>
      <altname>1HE</altname>
      <x>4.245</x>
      <y>-2.385</y>
      <z>2.260</z>
      <bond>CE1</bond>
    </atom>
    <atom>
      <name>HE2</name>
      <altname>2HE</altname>
      <x>2.001</x>
      <y>-5.011</y>
      <z>-0.082</z>
      <bond>CE2</bond>
    </atom>
    <atom>
      <name>HZ</name>
      <x>4.062</x>
      <y>-4.440</y>
      <z>1.033</z>
      <bond>CZ</bond>
    </atom>
    <dihedral>N CA CB CG</dihedral>
    <dihedral>CA CB CG CD1</dihedral>
  </residue>
  <residue>
    <name>PRO</name>
    <atom>
      <name>N</name>
      <x>1.201</x>
      <y>0.847</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>CD</bond>
    </atom>
    <atom>
      <name>CA</name>
      <x>0.000</x>
      <y>0.000</y>
      <z>0.000</z>
      <bond>N</bond>
      <bond>C</bond>
      <bond>CB</bond>
      <bond>HA</bond>
    </atom>
    <atom>
      <name>C</name>
      <x>-1.250</x>
      <y>0.881</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>O</bond>
    </atom>
    <atom>
      <name>O</name>
      <x>-2.185</x>
      <y>0.660</y>
      <z>-0.784</z>
      <bond>C</bond>
    </atom>
    <atom>
      <name>CB</name>
      <x>0.124</x>
      <y>-0.783</y>
      <z>1.314</z>
      <bond>CA</bond>
      <bond>CG</bond>
      <bond>HB2</bond>
      <bond>HB3</bond>
    </atom>
    <atom>
      <name>CG</name>
      <x>0.895</x>
      <y>0.139</y>
      <z>2.221</z>
      <bond>CB</bond>
      <bond>CD</bond>
      <bond>HG2</bond>
      <bond>HG3</bond>
    </atom>
    <atom>
      <name>CD</name>
      <x>1.874</x>
      <y>0.862</y>
      <z>1.306</z>
      <bond>CG</bond>
      <bond>N</bond>
      <bond>HD2</bond>
      <bond>HD3</bond>
    </atom>
    <atom>
      <name>HA</name>
      <x>0.000</x>
      <y>-0.619</y>
      <z>-0.785</z>
      <bond>CA</bond>
    </atom>
    <atom>
      <name>HB2</name>
      <altname>2HB</altname>
      <x>-0.779</x>
      <y>-0.981</y>
      <z>1.695</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HB3</name>
      <altname>1HB</altname>
      <altname>HB1</altname>
      <altname>3HB</altname>
      <x>0.621</x>
      <y>-1.638</y>
      <z>1.172</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HG2</name>
      <altname>2HG</altname>
      <x>0.280</x>
      <y>0.791</y>
      <z>2.664</z>
      <bond>CG</bond>
    </atom>
    <atom>
      <name>HG3</name>
      <altname>1HG</altname>
      <altname>HG1</altname>
      <altname>3HG</altname>
      <x>1.385</x>
      <y>-0.384</y>
      <z>2.918</z>
      <bond>CG</bond>
    </atom>
    <atom>
      <name>HD2</name>
      <altname>2HD</altname>
      <x>2.028</x>
      <y>1.799</y>
      <z>1.617</z>
      <bond>CD</bond>
    </atom>
    <atom>
      <name>HD3</name>
      <altname>1HD</altname>
      <altname>HD1</altname>
      <altname>3HD</altname>
      <x>2.748</x>
      <y>0.377</y>
      <z>1.263</z>
      <bond>CD</bond>
    </atom>
  </residue>
  <residue>
    <name>SER</name>
    <atom>
      <name>N</name>
      <x>1.201</x>
      <y>0.847</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>H</bond>
    </atom>
    <atom>
      <name>CA</name>
      <x>0.000</x>
      <y>0.000</y>
      <z>0.000</z>
      <bond>N</bond>
      <bond>C</bond>
      <bond>CB</bond>
      <bond>HA</bond>
    </atom>
    <atom>
      <name>C</name>
      <x>-1.250</x>
      <y>0.881</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>O</bond>
    </atom>
    <atom>
      <name>O</name>
      <x>-2.185</x>
      <y>0.660</y>
      <z>-0.784</z>
      <bond>C</bond>
    </atom>
    <atom>
      <name>CB</name>
      <x>0.014</x>
      <y>-0.971</y>
      <z>1.174</z>
      <bond>CA</bond>
      <bond>OG</bond>
      <bond>HB2</bond>
      <bond>HB3</bond>
    </atom>
    <atom>
      <name>OG</name>
      <x>0.056</x>
      <y>-0.296</y>
      <z>2.418</z>
      <bond>CB</bond>
      <bond>HG</bond>
    </atom>
    <atom>
      <name>H</name>
      <altname>HN</altname>
      <x>1.201</x>
      <y>1.847</y>
      <z>0.000</z>
      <bond>N</bond>
    </atom>
    <atom>
      <name>HA</name>
      <x>0.000</x>
      <y>-0.536</y>
      <z>-0.844</z>
      <bond>CA</bond>
    </atom>
    <atom>
      <name>HB2</name>
      <altname>2HB</altname>
      <x>-0.812</x>
      <y>-1.533</y>
      <z>1.139</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HB3</name>
      <altname>1HB</altname>
      <altname>HB1</altname>
      <altname>3HB</altname>
      <x>0.820</x>
      <y>-1.558</y>
      <z>1.098</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HG</name>
      <x>0.067</x>
      <y>0.691</y>
      <z>2.262</z>
      <bond>OG</bond>
    </atom>
    <dihedral>N CA CB OG</dihedral>
    <dihedral>CA CB OG HG</dihedral>
  </residue>
  <residue>
    <name>THR</name>
    <atom>
      <name>N</name>
      <x>1.201</x>
      <y>0.847</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>H</bond>
    </atom>
    <atom>
      <name>CA</name>
      <x>0.000</x>
      <y>0.000</y>
      <z>0.000</z>
      <bond>N</bond>
      <bond>C</bond>
      <bond>CB</bond>
      <bond>HA</bond>
    </atom>
    <atom>
      <name>C</name>
      <x>-1.250</x>
      <y>0.881</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>O</bond>
    </atom>
    <atom>
      <name>O</name>
      <x>-2.185</x>
      <y>0.660</y>
      <z>-0.784</z>
      <bond>C</bond>
    </atom>
    <atom>
      <name>CB</name>
      <x>0.001</x>
      <y>-0.981</y>
      <z>1.242</z>
      <bond>CA</bond>
      <bond>OG1</bond>
      <bond>CG2</bond>
      <bond>HB</bond>
    </atom>
    <atom>
      <name>OG1</name>
      <x>1.226</x>
      <y>-1.775</y>
      <z>1.136</z>
      <bond>CB</bond>
      <bond>HG1</bond>
    </atom>
    <atom>
      <name>CG2</name>
      <x>-1.252</x>
      <y>-1.866</y>
      <z>1.324</z>
      <bond>CB</bond>
      <bond>HG21</bond>
      <bond>HG22</bond>
      <bond>HG23</bond>
    </atom>
    <atom>
      <name>H</name>
      <altname>HN</altname>
      <x>1.201</x>
      <y>1.847</y>
      <z>0.000</z>
      <bond>N</bond>
    </atom>
    <atom>
      <name>HA</name>
      <x>0.000</x>
      <y>-0.549</y>
      <z>-0.836</z>
      <bond>CA</bond>
    </atom>
    <atom>
      <name>HB</name>
      <x>0.054</x>
      <y>-0.432</y>
      <z>2.076</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HG1</name>
      <altname>1HG</altname>
      <x>1.735</x>
      <y>-1.497</y>
      <z>0.321</z>
      <bond>OG1</bond>
    </atom>
    <atom>
      <name>HG21</name>
      <altname>1HG2</altname>
      <x>-2.064</x>
      <y>-1.287</y>
      <z>1.399</z>
      <bond>CG2</bond>
    </atom>
    <atom>
      <name>HG22</name>
      <altname>2HG2</altname>
      <x>-1.318</x>
      <y>-2.427</y>
      <z>0.498</z>
      <bond>CG2</bond>
    </atom>
    <atom>
      <name>HG23</name>
      <altname>3HG2</altname>
      <x>-1.190</x>
      <y>-2.459</y>
      <z>2.126</z>
      <bond>CG2</bond>
    </atom>
    <dihedral>N CA CB OG1</dihedral>
    <dihedral>CA CB OG1 HG1</dihedral>
  </residue>
  <residue>
    <name>TRP</name>
    <atom>
      <name>N</name>
      <x>1.201</x>
      <y>0.847</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>H</bond>
    </atom>
    <atom>
      <name>CA</name>
      <x>0.000</x>
      <y>0.000</y>
      <z>0.000</z>
      <bond>N</bond>
      <bond>C</bond>
      <bond>CB</bond>
      <bond>HA</bond>
    </atom>
    <atom>
      <name>C</name>
      <x>-1.250</x>
      <y>0.881</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>O</bond>
    </atom>
    <atom>
      <name>O</name>
      <x>-2.185</x>
      <y>0.660</y>
      <z>-0.784</z>
      <bond>C</bond>
    </atom>
    <atom>
      <name>CB</name>
      <x>0.046</x>
      <y>-1.011</y>
      <z>1.180</z>
      <bond>CA</bond>
      <bond>CG</bond>
      <bond>HB2</bond>
      <bond>HB3</bond>
    </atom>
    <atom>
      <name>CG</name>
      <x>1.198</x>
      <y>-1.948</y>
      <z>1.179</z>
      <bond>CB</bond>
      <bond>CD1</bond>
      <bond>CD2</bond>
    </atom>
    <atom>
      <name>CD1</name>
      <x>2.424</x>
      <y>-1.767</y>
      <z>1.763</z>
      <bond>CG</bond>
      <bond>NE1</bond>
      <bond>HD1</bond>
    </atom>
    <atom>
      <name>CD2</name>
      <x>1.241</x>
      <y>-3.251</y>
      <z>0.576</z>
      <bond>CG</bond>
      <bond>CE2</bond>
      <bond>CE3</bond>
    </atom>
    <atom>
      <name>NE1</name>
      <x>3.217</x>
      <y>-2.870</y>
      <z>1.560</z>
      <bond>CD1</bond>
      <bond>CE2</bond>
      <bond>HE1</bond>
    </atom>
    <atom>
      <name>CE2</name>
      <x>2.521</x>
      <y>-3.787</y>
      <z>0.825</z>
      <bond>NE1</bond>
      <bond>CD2</bond>
      <bond>CZ2</bond>
    </atom>
    <atom>
      <name>CE3</name>
      <x>0.320</x>
      <y>-3.997</y>
      <z>-0.158</z>
      <bond>CD2</bond>
      <bond>CZ3</bond>
      <bond>HE3</bond>
    </atom>
    <atom>
      <name>CZ2</name>
      <x>2.898</x>
      <y>-5.036</y>
      <z>0.383</z>
      <bond>CE2</bond>
      <bond>CH2</bond>
      <bond>HZ2</bond>
    </atom>
    <atom>
      <name>CZ3</name>
      <x>0.688</x>
      <y>-5.237</y>
      <z>-0.605</z>
      <bond>CE3</bond>
      <bond>CH2</bond>
      <bond>HZ3</bond>
    </atom>
    <atom>
      <name>CH2</name>
      <x>1.958</x>
      <y>-5.752</y>
      <z>-0.344</z>
      <bond>CZ2</bond>
      <bond>CZ3</bond>
      <bond>HH2</bond>
    </atom>
    <atom>
      <name>H</name>
      <altname>HN</altname>
      <x>1.201</x>
      <y>1.847</y>
      <z>0.000</z>
      <bond>N</bond>
    </atom>
    <atom>
      <name>HA</name>
      <x>0.000</x>
      <y>-0.526</y>
      <z>-0.850</z>
      <bond>CA</bond>
    </atom>
    <atom>
      <name>HB2</name>
      <altname>2HB</altname>
      <x>0.076</x>
      <y>-0.488</y>
      <z>2.032</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HB3</name>
      <altname>1HB</altname>
      <altname>HB1</altname>
      <altname>3HB</altname>
      <x>-0.793</x>
      <y>-1.555</y>
      <z>1.152</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HD1</name>
      <altname>1HD</altname>
      <x>2.702</x>
      <y>-0.949</y>
      <z>2.265</z>
      <bond>CD1</bond>
    </atom>
    <atom>
      <name>HE1</name>
      <altname>1HE</altname>
      <x>4.152</x>
      <y>-2.983</y>
      <z>1.896</z>
      <bond>NE1</bond>
    </atom>
    <atom>
      <name>HE3</name>
      <altname>3HE</altname>
      <x>-0.591</x>
      <y>-3.634</y>
      <z>-0.353</z>
      <bond>CE3</bond>
    </atom>
    <atom>
      <name>HZ2</name>
      <altname>2HZ</altname>
      <x>3.805</x>
      <y>-5.408</y>
      <z>0.576</z>
      <bond>CZ2</bond>
    </atom>
    <atom>
      <name>HZ3</name>
      <altname>1HZ</altname>
      <altname>HZ1</altname>
      <altname>3HZ</altname>
      <x>0.035</x>
      <y>-5.784</y>
      <z>-1.129</z>
      <bond>CZ3</bond>
    </atom>
    <atom>
      <name>HH2</name>
      <altname>2HH</altname>
      <x>2.197</x>
      <y>-6.660</y>
      <z>-0.689</z>
      <bond>CH2</bond>
    </atom>
    <dihedral>N CA CB CG</dihedral>
    <dihedral>CA CB CG CD1</dihedral>
  </residue>
  <residue>
    <name>TYR</name>
    <atom>
      <name>N</name>
      <x>1.201</x>
      <y>0.847</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>H</bond>
    </atom>
    <atom>
      <name>CA</name>
      <x>0.000</x>
      <y>0.000</y>
      <z>0.000</z>
      <bond>N</bond>
      <bond>C</bond>
      <bond>CB</bond>
      <bond>HA</bond>
    </atom>
    <atom>
      <name>C</name>
      <x>-1.250</x>
      <y>0.881</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>O</bond>
    </atom>
    <atom>
      <name>O</name>
      <x>-2.185</x>
      <y>0.660</y>
      <z>-0.784</z>
      <bond>C</bond>
    </atom>
    <atom>
      <name>CB</name>
      <x>0.012</x>
      <y>-0.963</y>
      <z>1.196</z>
      <bond>CA</bond>
      <bond>CG</bond>
      <bond>HB2</bond>
      <bond>HB3</bond>
    </atom>
    <atom>
      <name>CG</name>
      <x>1.193</x>
      <y>-1.914</y>
      <z>1.235</z>
      <bond>CB</bond>
      <bond>CD1</bond>
      <bond>CD2</bond>
    </atom>
    <atom>
      <name>CD1</name>
      <x>2.381</x>
      <y>-1.570</y>
      <z>1.891</z>
      <bond>CG</bond>
      <bond>CE1</bond>
      <bond>HD1</bond>
    </atom>
    <atom>
      <name>CD2</name>
      <x>1.136</x>
      <y>-3.152</y>
      <z>0.597</z>
      <bond>CG</bond>
      <bond>CE2</bond>
      <bond>HD2</bond>
    </atom>
    <atom>
      <name>CE1</name>
      <x>3.480</x>
      <y>-2.427</y>
      <z>1.889</z>
      <bond>CD1</bond>
      <bond>CZ</bond>
      <bond>HE1</bond>
    </atom>
    <atom>
      <name>CE2</name>
      <x>2.228</x>
      <y>-4.012</y>
      <z>0.583</z>
      <bond>CD2</bond>
      <bond>CZ</bond>
      <bond>HE2</bond>
    </atom>
    <atom>
      <name>CZ</name>
      <x>3.404</x>
      <y>-3.644</y>
      <z>1.219</z>
      <bond>CE1</bond>
      <bond>CE2</bond>
      <bond>OH</bond>
    </atom>
    <atom>
      <name>OH</name>
      <x>4.469</x>
      <y>-4.494</y>
      <z>1.141</z>
      <bond>CZ</bond>
      <bond>HH</bond>
    </atom>
    <atom>
      <name>H</name>
      <altname>HN</altname>
      <x>1.201</x>
      <y>1.847</y>
      <z>0.000</z>
      <bond>N</bond>
    </atom>
    <atom>
      <name>HA</name>
      <x>0.000</x>
      <y>-0.543</y>
      <z>-0.840</z>
      <bond>CA</bond>
    </atom>
    <atom>
      <name>HB2</name>
      <altname>2HB</altname>
      <x>0.023</x>
      <y>-0.418</y>
      <z>2.034</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HB3</name>
      <altname>1HB</altname>
      <altname>HB1</altname>
      <altname>3HB</altname>
      <x>-0.825</x>
      <y>-1.509</y>
      <z>1.164</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HD1</name>
      <altname>1HD</altname>
      <x>2.443</x>
      <y>-0.694</y>
      <z>2.369</z>
      <bond>CD1</bond>
    </atom>
    <atom>
      <name>HD2</name>
      <altname>2HD</altname>
      <x>0.290</x>
      <y>-3.428</y>
      <z>0.140</z>
      <bond>CD2</bond>
    </atom>
    <atom>
      <name>HE1</name>
      <altname>1HE</altname>
      <x>4.319</x>
      <y>-2.169</y>
      <z>2.368</z>
      <bond>CE1</bond>
    </atom>
    <atom>
      <name>HE2</name>
      <altname>2HE</altname>
      <x>2.166</x>
      <y>-4.894</y>
      <z>0.115</z>
      <bond>CE2</bond>
    </atom>
    <atom>
      <name>HH</name>
      <x>4.215</x>
      <y>-5.298</y>
      <z>0.603</z>
      <bond>OH</bond>
    </atom>
    <dihedral>N CA CB CG</dihedral>
    <dihedral>CA CB CG CD1</dihedral>
    <dihedral>CE2 CZ OH HH</dihedral>
  </residue>
  <residue>
    <name>VAL</name>
    <atom>
      <name>N</name>
      <x>1.201</x>
      <y>0.847</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>H</bond>
    </atom>
    <atom>
      <name>CA</name>
      <x>0.000</x>
      <y>0.000</y>
      <z>0.000</z>
      <bond>N</bond>
      <bond>C</bond>
      <bond>CB</bond>
      <bond>HA</bond>
    </atom>
    <atom>
      <name>C</name>
      <x>-1.250</x>
      <y>0.881</y>
      <z>0.000</z>
      <bond>CA</bond>
      <bond>O</bond>
    </atom>
    <atom>
      <name>O</name>
      <x>-2.185</x>
      <y>0.660</y>
      <z>-0.784</z>
      <bond>C</bond>
    </atom>
    <atom>
      <name>CB</name>
      <x>0.065</x>
      <y>-0.989</y>
      <z>1.204</z>
      <bond>CA</bond>
      <bond>CG1</bond>
      <bond>CG2</bond>
      <bond>HB</bond>
    </atom>
    <atom>
      <name>CG1</name>
      <x>-1.152</x>
      <y>-1.903</y>
      <z>1.272</z>
      <bond>CB</bond>
      <bond>HG11</bond>
      <bond>HG12</bond>
      <bond>HG13</bond>
    </atom>
    <atom>
      <name>CG2</name>
      <x>1.349</x>
      <y>-1.797</y>
      <z>1.196</z>
      <bond>CB</bond>
      <bond>HG21</bond>
      <bond>HG22</bond>
      <bond>HG23</bond>
    </atom>
    <atom>
      <name>H</name>
      <altname>HN</altname>
      <x>1.201</x>
      <y>1.847</y>
      <z>0.000</z>
      <bond>N</bond>
    </atom>
    <atom>
      <name>HA</name>
      <x>0.000</x>
      <y>-0.538</y>
      <z>-0.843</z>
      <bond>CA</bond>
    </atom>
    <atom>
      <name>HB</name>
      <x>0.068</x>
      <y>-0.438</y>
      <z>2.039</z>
      <bond>CB</bond>
    </atom>
    <atom>
      <name>HG11</name>
      <altname>1HG1</altname>
      <x>-1.979</x>
      <y>-1.350</y>
      <z>1.370</z>
      <bond>CG1</bond>
    </atom>
    <atom>
      <name>HG12</name>
      <altname>2HG1</altname>
      <x>-1.210</x>
      <y>-2.443</y>
      <z>0.432</z>
      <bond>CG1</bond>
    </atom>
    <atom>
      <name>HG13</name>
      <altname>3HG1</altname>
      <x>-1.065</x>
      <y>-2.516</y>
      <z>2.057</z>
      <bond>CG1</bond>
    </atom>
    <atom>
      <name>HG21</name>
      <altname>1HG2</altname>
      <x>1.403</x>
      <y>-2.327</y>
      <z>0.349</z>
      <bond>CG2</bond>
    </atom>
    <atom>
      <name>HG22</name>
      <altname>2HG2</altname>
      <x>2.133</x>
      <y>-1.179</y>
      <z>1.252</z>
      <bond>CG2</bond>
    </atom>
    <atom>
      <name>HG23</name>
      <altname>3HG2</altname>
      <x>1.357</x>
      <y>-2.419</y>
      <z>1.979</z>
      <bond>CG2</bond>
    </atom>
    <dihedral>N CA CB CG1</dihedral>
  </residue>
  <residue>
    <name>WAT</name>
    <atom>
      <name>O</name>
      <altname>OH2</altname>
      <altname>OW</altname>
      <altname>OH</altname>
      <x>3.240</x>
      <y>55.829</y>
      <z>19.243</z>
      <bond>H1</bond>
      <bond>H2</bond>
    </atom>
    <atom>
      <name>H1</name>
      <altname>HW</altname>
      <altname>HH1</altname>
      <altname>1H</altname>
      <x>2.865</x>
      <y>56.756</y>
      <z>19.243</z>
      <bond>O</bond>
    </atom>
    <atom>
      <name>H2</name>
      <altname>HW</altname>
      <altname>HH2</altname>
      <altname>2H</altname>
      <x>4.240</x>
      <y>55.829</y>
      <z>19.243</z>
      <bond>O</bond>
    </atom>
  </residue>
</aminoacids>
