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The temperature (A) and total energy (B) fluctuations and the RMSDs of the main chain of the whole model (C) and the residues composing the binding pocket (Pro-95–Thr-108, Val-179–Tyr-181, Tyr-188–Gly-191, Phe-227–Trp-229, Val-234–Pro-236, and Tyr-318) (D) of the simulation system in the free equilibrium period.
