loop_
    _refine_occupancy.class
    _refine_occupancy.treatment
    _refine_occupancy.value
    _refine_occupancy.details
     'protein'                  fix  1.00  .
     'solvent'                  fix  1.00  .
     'inhibitor orientation 1'  fix  0.65  .
     'inhibitor orientation 2'  fix  0.35
    ; The inhibitor binds to the enzyme in two alternative
      conformations. The occupancy of each conformation was
      adjusted so as to result in approximately equal mean
      thermal factors for the atoms in each conformation.
    ;