Sorry misread the initial post. Yes a protein ligand should be in the protein but you could give B factor number for each chain- my comments about what goes in ligand and what in solvent may be of general interest/comment
Nick

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Prof Nicholas H. Keep
Executive Dean of School of Science
Professor of Biomolecular Science
Crystallography, Institute for Structural and Molecular Biology,
Department of Biological Sciences
Birkbeck,  University of London,
Malet Street,
Bloomsbury
LONDON
WC1E 7HX

email     n.k...@mail.cryst.bbk.ac.uk
Telephone 020-7631-6852  (Room G54a Office)
          020-7631-6800  (Department Office)
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