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Predicted docking orientations of D-amino acid conjugates 36 (panel A, with carbons colored in yellow), 38 (panel B, with carbons in orange), and 42 (panel C, with carbons colored in orange). The guanidium group of 36 was engaged in H-bond interactions with Glu169 (EL2) and Thr256 (6.58). The phenyl ring of 38 and the imidazole ring of 42 were located between the positively charged amino group of Lys150 (EL2) and the aromatic side chain of His264 (EL3).
