“…The coordinates of human thrombin (PDB code 1H8D) 36 were used for initial rigid-body refinement of the protein molecules followed by repeated cycles of maximum likelihood energy minimization, simulated annealing, and B-factor refinement using the CNS program package. 37 Refinement of structure 2 was done with SHELXL, 38 and structures 3, 4, 5, 6, 7, 8, 9, 10, and 11 were refined with PHENIX.…”