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   82 (A 214 ) and   83 (A 216 )
 Average value of CA-N-C-CB angle is  34.76
 Standard deviation is                 1.07
 * 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 =   969
           old number =     0
 * PHE A 150  PHE A 155  TYR A 173  TYR A 226                                      
 Total number of residues that need to be changed and total number of residues:
     ALA     0     3
     ASP     0     9
     GLU     0     6
     PHE     2     7
     GLY     0     8
     HIS     0     1
     ILE     0     9
     LYS     0    13
     LEU     0    13
     ASN     0    13
     PRO     0     5
     GLN     0     8
     ARG     0     1
     SER     0     5
     THR     0     4
     VAL     0     4
     TYR     2     9

 * NMR ensemble comprises 1 model structures
 * Program completed