1. Department of Chemistry & Biochemistry and Department of Pharmacology and NSF Center for Theoretical Biological Physics, University of California San Diego, La Jolla, California 92093-0365, Howard Hughes Medical Institute, University of California San Diego, La Jolla, California 92093-0365, National Biomedical Computational Resource, University of California, San Diego, La Jolla, California 92093, Department of Molecular Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla,...