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
 Average value of CA-N-C-CB angle is  34.57
 Standard deviation is                 0.84
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * PHE A   5  ARG A   7  GLU A  14  ASP A  17  GLU A  26  ASP A  36  ASP A  39     
 WARNING: Number of atoms/hetatms in new file differs from old file - 
           new number =   728
           old number =     0
 * PHE A  40  PHE A  45  ASP A  66  GLU A  72  GLU A  86                           
 Total number of residues that need to be changed and total number of residues:
     ALA     0    12
     CYS     0     1
     ASP     4    10
     GLU     4     8
     PHE     3     5
     GLY     0     4
     HIS     0     1
     ILE     0    10
     LYS     0     6
     LEU     0     9
     ASN     0     2
     PRO     0     3
     GLN     0     2
     ARG     1     3
     SER     0     3
     THR     0     9
     VAL     0     4
     TRP     0     1
     TYR     0     1

 * NMR ensemble comprises 1 model structures
 * Program completed