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Mpro cartoon representation. In the yellow circle the QM-cluster model of 312(3) atoms for EBS (EBS-OH). Amino acid residues are shown in sticks and colored by residue name, the catalytic dyad (Cys145, His41), EBS and water molecules W1 and W2 are in balls and sticks. Stars on residues Pro39, Cys44, Phe140, Gly146 and Leu167 point to frozen atoms and delimit the model truncations.
