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
 ** Unrecognized atom type [ O2 ] in residue LEU M 594 
 Chain break between    5 (M 529 ) and    6 (M 531 )
 Chain break between   31 (M 556 ) and   32 (M 558 )
 Chain break between   68 (M 594 ) and   69 (M 605 )
 Chain break between   73 (M 609 ) and   74 (M 611 )
 Chain break between   99 (M 636 ) and  100 (M 638 )
 Average value of CA-N-C-CB angle is  34.73
 Standard deviation is                 0.78
 * 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 =   997
           old number =     0
 * TYR M 579  TYR M 621                                                            
 Total number of residues that need to be changed and total number of residues:
     ALA     0    14
     ASP     0     5
     GLU     0    14
     PHE     0     6
     GLY     0    14
     HIS     0     2
     ILE     0     2
     LYS     0    18
     LEU     0    13
     ASN     0     6
     PRO     0     5
     GLN     0     4
     ARG     0     6
     SER     0     6
     THR     0     3
     VAL     0    10
     TYR     2     4

 * NMR ensemble comprises 1 model structures
 * Program completed