CLEAN - Clean-up program
------------------------
 


 Clean-up program CLEAN - Written by David Keith Smith, 1989.
                          Amended by Roman Laskowski, 1992.


 Enter filename containing coordinates of structure
   (for file containing ensemble of NMR structures enter @filename;
    for set of separate PDB files to be processed, enter %filelist,
    where filelist contains a list of PDB files to be cleaned up)

    Processing NMR model 1
 ** Unrecognized atom type [ O2 ] in residue HIS M  90 
 Chain break between   69 (M  90 ) and   70 (M 101 )
 Average value of CA-N-C-CB angle is  34.71
 Standard deviation is                 1.22
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 WARNING: Number of atoms/hetatms in new file differs from old file - 
           new number =  1045
           old number =     0
 * PHE M  25  PHE M 104  ASP M 117  GLU M 135  GLU M 163                           
 Total number of residues that need to be changed and total number of residues:
     ALA     0     4
     ASP     1     6
     GLU     2    12
     PHE     2     4
     GLY     0    12
     HIS     0    10
     ILE     0    10
     LYS     0    12
     LEU     0    22
     ASN     0     2
     PRO     0     4
     GLN     0     8
     ARG     0     2
     SER     0     8
     THR     0     4
     VAL     0    12
     TYR     0     2

 * NMR ensemble comprises 1 model structures
 * Program completed