1. Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455, Department of Chemistry, University of Missouri—Kansas City, 205 Spencer Chemical Laboratories, 5100 Rockhill Road, Kansas City, Missouri 64110, and The University of Kansas Center of Excellence in Chemical Methodologies and Library Development, Structural Biology Center, 2121 Simons Drive, Lawrence, Kansas 66047