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
 Chain break between   28 (M  34 ) and   29 (M  36 )
 Chain break between   66 (M  73 ) and   67 (M  84 )
 Chain break between   92 (M 109 ) and   93 (M 111 )
 Average value of CA-N-C-CB angle is  34.63
 Standard deviation is                 1.64
 * 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 =   960
           old number =     0
 * GLU M  26                                                                       
 Total number of residues that need to be changed and total number of residues:
     ALA     0    10
     CYS     0     2
     ASP     0     8
     GLU     1    11
     PHE     0     2
     GLY     0     2
     HIS     0     3
     ILE     0     8
     LYS     0    10
     LEU     0    16
     ASN     0     8
     PRO     0     4
     GLN     0     6
     ARG     0     4
     SER     0     5
     THR     0     6
     VAL     0    20
     TYR     0     1

 * NMR ensemble comprises 1 model structures
 * Program completed