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Representative MCSS-minimized positions of the pyrrolidinium group in the active site of rat nNOS in complex with 4. Cofactors heme and H4B are shown in cyan and magenta, respectively. The S pocket and the M pocket are noted. The label of the minima denotes their ranking. Hydrogen atoms attached to the nitrogen atom of the pyrrolidine ring are shown to indicate the spatial orientation of the pyrrolidinium cation.
