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 [ SE ] in residue MET M   1 
 ** Unrecognized atom type [ SE ] in residue MET M  44 
 ** Unrecognized atom type [ SE ] in residue MET M  86 
 ** Unrecognized atom type [ SE ] in residue MET M 128 
 ** Unrecognized atom type [ SE ] in residue MET M 171 
 ** Unrecognized atom type [ SE ] in residue MET M 213 
 ** Unrecognized atom type [ SE ] in residue MET M 255 
 ** Unrecognized atom type [ SE ] in residue MET M 298 
 ** Unrecognized atom type [ SE ] in residue MET M 340 
 ** Unrecognized atom type [ SE ] in residue MET M 382 
 ** Unrecognized atom type [ SE ] in residue MET M 425 
 ** Unrecognized atom type [ SE ] in residue MET M 467 
 Chain break between  117 (M 117 ) and  118 (M 128 )
 Chain break between  234 (M 244 ) and  235 (M 255 )
 Chain break between  351 (M 371 ) and  352 (M 382 )
 Average value of CA-N-C-CB angle is  34.84
 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
 * PHE M   6  ASP M   8  ASP M  27  TYR M  28  ARG M  32  ASP M  37  ASP M  56     
 * GLU M  69  PHE M 133  ASP M 135  ASP M 154  TYR M 155  ARG M 159  ASP M 164     
 * ASP M 183  GLU M 196  PHE M 260  ASP M 262  TYR M 263  ASP M 281  TYR M 282     
 * ARG M 286  ASP M 291  ASP M 310  GLU M 323  PHE M 387  ASP M 389  ASP M 408     
 WARNING: Number of atoms/hetatms in new file differs from old file - 
           new number =  3872
           old number =     0
 * TYR M 409  ARG M 413  ASP M 418  ASP M 437  GLU M 450                           
 Total number of residues that need to be changed and total number of residues:
     ALA     0    24
     ASP    16    44
     GLU     4    24
     PHE     4    16
     GLY     0    24
     HIS     0    20
     ILE     0    36
     LYS     0    48
     LEU     0    40
     MET     0    12
     ASN     0    20
     PRO     0    32
     GLN     0    20
     ARG     4    20
     SER     0    16
     THR     0    12
     VAL     0    24
     TRP     0    12
     TYR     5    24

 * NMR ensemble comprises 1 model structures
 * Program completed