1. Max-Planck-Institut für Kohlenforschung, 45470 Mülheim an der Ruhr, Germany
2. Laboratory for Biomolecular Simulation Research, Center for Integrative Proteomics Research, and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, United States
3. Department of Chemistry, Philipps-University Marburg, 35032 Marburg, Germany