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  34.93
 Standard deviation is                 0.87
 * 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 =  1084
           old number =     0
 * ASP A   5  GLU A  48  PHE A  49  PHE A  53  GLU A  60  GLU A 104                
 Total number of residues that need to be changed and total number of residues:
     ALA     0     6
     CYS     0     2
     ASP     1     6
     GLU     3    15
     PHE     2     9
     GLY     0     6
     HIS     0     7
     ILE     0    13
     LYS     0     6
     LEU     0     8
     MET     0     1
     ASN     0     3
     PRO     0     5
     GLN     0     6
     ARG     0     3
     SER     0    14
     THR     0    10
     VAL     0    12
     TRP     0     2
     TYR     0     2

 * NMR ensemble comprises 1 model structures
 * Program completed