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[ccp4bb]: lsqkab

Hi,
I am trying to do  superposition using lsqkab. I have several model files from differnt  crystals of a heme protein . I want to superpose the structures by fitting only the pyrrole nitrogens of the heme.  It doesnt do the superposition correctly. Any clue?
l
EX. OF SCRIPT and coordinates

lsqkab\
      WORKCD b.pdb \
      REFRCD a.pdb \
      RMSTAB lsq.tab\
      LSQOP test.pdb\
      << 'END-lsqkab'
title I don't know what to use as a title
FIT WATOM 2746 TO 2749
MATCH 2774 TO 2777
#
output XYZ   # ! output file LSQOP with new coords
end
'END-lsqkab'
exit

b.pdb

ATOM   2774  NA  HEM   350       1.690   1.921  10.510  1.00  8.45      AHEM
ATOM   2775  NB  HEM   350       4.361   0.940  10.333  1.00  7.40      AHEM
ATOM   2776  NC  HEM   350       5.028   2.397  12.688  1.00  7.39      AHEM
ATOM   2777  ND  HEM   350       2.324   3.204  12.953  1.00  7.91      AHEM

a.pdb
ATOM   2746  NA  HEM   350       1.627   1.881  10.504  1.00  9.40      AHEM
ATOM   2747  NB  HEM   350       4.294   0.892  10.330  1.00  7.06      AHEM
ATOM   2748  NC  HEM   350       4.966   2.356  12.662  1.00  7.37      AHEM
ATOM   2749  ND  HEM   350       2.244   3.146  12.939  1.00  9.77      AHEM
  

-- 
_________________________________________________________________
Gunnar I. Berglund, Dept. of Biochemistry, Biomedical Center,
Uppsala University, Husargatan 3, Box 576, 751 23 Uppsala, Sweden
tel: 46 18 471 4987; fax: 46 18 511 755; http://zorn.bmc.uu.se/
_________________________________________________________________