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   43 (A  49 ) and   44 (A  51 )
 Average value of CA-N-C-CB angle is  33.50
 Standard deviation is                 0.96
 * 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 =   689
           old number =     0
 * GLU A  38  GLU A  73  TYR A  78  TYR A  79                                      
 Total number of residues that need to be changed and total number of residues:
     ALA     0    18
     ASP     0     4
     GLU     2     6
     PHE     0     1
     GLY     0     8
     ILE     0     3
     LYS     0     3
     LEU     0    13
     ASN     0     3
     GLN     0     6
     ARG     0    10
     SER     0     2
     THR     0     5
     VAL     0     8
     TYR     2     2

 * NMR ensemble comprises 1 model structures
 * Program completed