1. Department of Chemistry and Biochemistry, Loyola University Chicago, 1032 West Sheridan Road, Chicago, Illinois 60660, United States
2. The Center for Structural Genomics of Infectious Diseases, Computation Institute, The University of Chicago, Chicago, Illinois 60637, United States
3. Department of Chemistry, Colorado School of Mines, 1500 Illinois Street, Golden, Colorado 80401, United States