{ "M0255_1mg5_unfixed": { "input": "./M0255_1mg5.pdb", "ligand": "NAI,ACT", "unindex": "A108,A139,A152,A156", "length": "180-200", "select_fixed_atoms": { "A108": "ND2,CG", "A139": "OG,CB,CA", "A152": "OH,CZ", "A156": "NZ,CE,CD", "ACT": "OXT", "NAI": "" } } }