l00126"></a>00126   
<a name="l00127"></a>00127   {HIS,CE1,ND1,NE2,3.0,DONEPTOR, 1, 120.0, 0.0},
<a name="l00128"></a>00128   <span class="comment">// Changed to DONOR -- Discussion with Leslie and Matt based on </span>
<a name="l00129"></a>00129   <span class="comment">// Jack Kyte’s Structure in Protein Chemistry pKa diagram for the </span>
<a name="l00130"></a>00130   <span class="comment">// high-probability states of His around pH 7</span>
<a name="l00131"></a>00131   {HIS,CE1,NE2,ND1,3.0,DONOR, 1, 1