Figure 7.
Occupied valence fragment molecular orbitals of (A) T1 Cu S(Cys) π (Frag1_53) and (B) T2 Cu N(His) σ (Frag1_47) out of resonance and (C) in resonance. Isovalues: (A) 0.050, (B) 0.050, and (C) 0.015.
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