="comment">// Changed to DONOR -- Discussion with Leslie and Matt based on </span>
<a name="l00080"></a>00080   <span class="comment">// Jack Kyte’s Structure in Protein Chemistry pKa diagram for the </span>
<a name="l00081"></a>00081   <span class="comment">// high-probability states of His around pH 7</span>
<a name="l00082"></a>00082   {HIS,CE1,NE2,ND1,3.0,DONOR, 0, 0.0, 0.0},
<a name="l00083"></a>00083   
<a name="l00084"></a>00084   {LYS,CE,NZ,CD,2.9,ACCEPTOR, 0, 0.0, 0.0},
<a name="l00085"></a>00085