*HEADER    ANTIFUNGAL PROTEIN                      23-MAR-18   6CTG              
*TITLE     THREE-DIMENSIONAL STRUCTURES OF CM-P1                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANTIFUNGAL PEPTIDE;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CM-P1;                                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CENCHRITIS MURICATUS;                           
*SOURCE   4 ORGANISM_COMMON: BEADED PERIWINKLE;                                  
*SOURCE   5 ORGANISM_TAXID: 197001                                               
*KEYWDS    SDS MICELLES, ANTIFUNGAL PEPTIDE, ANTIFUNGAL PROTEIN                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    E.S.F.ALVES,L.M.LIAO                                                  
*REVDAT   1   27-MAR-19 6CTG    0                                                
# Restraints file 1: phiepsi.tbl
!PHI
!MONOMER A
assign ( resid  1  and name c   )  ( resid  2  and name n  )
       ( resid  2  and name ca  )  ( resid  2  and name c  )  1.0   -81.988  30.0  2
assign ( resid  2  and name c   )  ( resid  3  and name n  )
       ( resid  3  and name ca  )  ( resid  3  and name c  )  1.0   -63.232  30.0  2
assign ( resid  3  and name c   )  ( resid  4  and name n  )
       ( resid  4  and name ca  )  ( resid  4  and name c  )  1.0   -64.111  30.0  2
assign ( resid  4  and name c   )  ( resid  5  and name n  )
       ( resid  5  and name ca  )  ( resid  5  and name c  )  1.0   -63.839 30.0  2            
assign ( resid  5  and name c   )  ( resid  6  and name n  )
       ( resid  6  and name ca  )  ( resid  6  and name c  )  1.0   -94.278  30.0  2          
assign ( resid  6  and name c   )  ( resid  7  and name n  )
       ( resid  7  and name ca  )  ( resid  7  and name c  )  1.0   -117.203   30.0  2
assign ( resid  7  and name c   )  ( resid  8  and name n  )
       ( resid  8  and name ca  )  ( resid  8  and name c  )  1.0   -139.341   30.0  2
assign ( resid  8  and name c   )  ( resid  9  and name n  )
       ( resid  9  and name ca  )  ( resid  9  and name c  )  1.0   -90.989  30.0  2
!
!PSi
!MONOMER A
assign ( resid 2  and name n  )  ( resid 2  and name ca  )
       ( resid 2  and name c  )  ( resid 3  and name n  )  1.0  -13.232    30.0  2
assign ( resid 3  and name n  )  ( resid 3  and name ca  )
       ( resid 3  and name c  )  ( resid 4  and name n  )  1.0  -44.240    30.0  2
assign ( resid 4  and name n  )  ( resid 4  and name ca  )
       ( resid 4  and name c  )  ( resid 5  and name n  ) 1.0   -45.018  30.0  2 
assign ( resid 5  and name n  )  ( resid 5  and name ca  )             
       ( resid 5  and name c  )  ( resid 6  and name n  ) 1.0   -32.422  30.0  2 
assign ( resid 6  and name n  )  ( resid 6  and name ca  )           
       ( resid 6  and name c  )  ( resid 7  and name n  ) 1.0   -11.625  30.0  2 
assign ( resid 7  and name n  )  ( resid 7  and name ca  )  
       ( resid 7  and name c  )  ( resid 8  and name n  ) 1.0   154.025  30.0  2 
assign ( resid 8  and name n  )  ( resid 8  and name ca  )  
       ( resid 8  and name c  )  ( resid 9  and name n  ) 1.0   152.770  30.0  2 
assign ( resid 9  and name n  )  ( resid 9  and name ca  )  
       ( resid 9  and name c  )  ( resid 10  and name n  ) 1.0   137.069  30.0  2 
!
# Restraints file 2: CM-P1_e_restraints.tbl
! On my watch it's Wed Apr  9 18:21:13 2014.
!IR
ASSI  (RESI     1 AND NAME   HA)
      (RESI     1 AND NAME  HB#)      2.800 1.000 0.000
ASSI  (RESI     1 AND NAME  HB#)
      (RESI     1 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     2 AND NAME   HN)
      (RESI     2 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     2 AND NAME   HN)
      (RESI     2 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME   HN)
      (RESI     2 AND NAME  HG#)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME  HG#)
      (RESI     2 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME  HB#)
      (RESI     2 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME  HB#)
      (RESI     2 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     2 AND NAME  HB#)
      (RESI     2 AND NAME  HD#)      3.400 1.600 0.000
ASSI  (RESI     2 AND NAME  HB#)
      (RESI     2 AND NAME  HG#)      3.400 1.600 0.000
ASSI  (RESI     2 AND NAME   HE)
      (RESI     2 AND NAME  HD#)      3.400 1.600 0.000
ASSI  (RESI     2 AND NAME  HD#)
      (RESI     2 AND NAME   HE)      3.400 1.600 0.000
ASSI  (RESI     2 AND NAME  HB#)
      (RESI     2 AND NAME   HE)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME   HE)
      (RESI     2 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME  HD#)
      (RESI     2 AND NAME  HB#)      3.400 1.600 0.000
ASSI  (RESI     2 AND NAME  HD#)
      (RESI     2 AND NAME  HG#)      2.800 1.000 0.000
ASSI  (RESI     2 AND NAME  HG#)
      (RESI     2 AND NAME  HB#)      3.400 1.600 0.000
ASSI  (RESI     2 AND NAME   HA)
      (RESI     2 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     3 AND NAME   HN)
      (RESI     3 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     3 AND NAME   HN)
      (RESI     3 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME  HB#)
      (RESI     3 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     3 AND NAME  HB#)
      (RESI     3 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HA)
      (RESI     3 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     4 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     4 AND NAME  HG#)      3.400 1.600 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     4 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME  HB#)
      (RESI     4 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME  HG#)
      (RESI     4 AND NAME  HB#)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME  HG#)
      (RESI     4 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     4 AND NAME  HB#)
      (RESI     4 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HA)
      (RESI     4 AND NAME  HB#)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME  HB#)
      (RESI     4 AND NAME  HG#)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME   HA)
      (RESI     4 AND NAME   HN)      2.800 1.000 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     5 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     5 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HA)
      (RESI     5 AND NAME  HB#)      3.400 1.600 0.000
ASSI  (RESI     5 AND NAME   HA)
      (RESI     5 AND NAME   HG)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME HD##)
      (RESI     5 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME HD##)
      (RESI     5 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HG)
      (RESI     5 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME  HB#)
      (RESI     5 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     5 AND NAME  HB#)
      (RESI     5 AND NAME HD##)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HG)
      (RESI     5 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME  HB#)
      (RESI     5 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME HD##)
      (RESI     5 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HA)
      (RESI     5 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     5 AND NAME   HG)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     5 AND NAME HD##)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HN)
      (RESI     6 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     6 AND NAME   HN)
      (RESI     6 AND NAME   HB)      3.400 1.600 0.000
ASSI  (RESI     6 AND NAME   HN)
      (RESI     6 AND NAME HG1#)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HB)
      (RESI     6 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     6 AND NAME HG1#)
      (RESI     6 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME HD1#)
      (RESI     6 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HB)
      (RESI     6 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     6 AND NAME HD1#)
      (RESI     6 AND NAME   HB)      2.800 1.000 0.000
ASSI  (RESI     6 AND NAME HG1#)
      (RESI     6 AND NAME   HB)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HB)
      (RESI     6 AND NAME HD1#)      2.800 1.000 0.000
ASSI  (RESI     6 AND NAME   HA)
      (RESI     6 AND NAME HD1#)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HA)
      (RESI     6 AND NAME HG1#)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HA)
      (RESI     6 AND NAME   HB)      3.400 1.600 0.000
ASSI  (RESI     6 AND NAME   HB)
      (RESI     6 AND NAME HG1#)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HA)
      (RESI     6 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     6 AND NAME HG1#)
      (RESI     6 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     7 AND NAME   HB)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     7 AND NAME HG##)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HB)
      (RESI     7 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     7 AND NAME HG##)
      (RESI     7 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     7 AND NAME   HB)
      (RESI     7 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME HG##)
      (RESI     7 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     7 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HA)
      (RESI     7 AND NAME HG##)      3.400 1.600 0.000
ASSI  (RESI     7 AND NAME   HA)
      (RESI     7 AND NAME   HB)      3.400 1.600 0.000
ASSI  (RESI     7 AND NAME   HA)
      (RESI     7 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     8 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     8 AND NAME  HB#)
      (RESI     8 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     8 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME  HD#)
      (RESI     8 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME  HD#)
      (RESI     8 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME  HD#)
      (RESI     8 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME  HB#)
      (RESI     8 AND NAME  HD#)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME  HB#)
      (RESI     8 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     8 AND NAME  HD#)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HA)
      (RESI     8 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     9 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     9 AND NAME  HG#)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     9 AND NAME  HB#)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME  HG#)
      (RESI     9 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME  HB#)
      (RESI     9 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     9 AND NAME  HB#)
      (RESI     9 AND NAME  HG#)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME  HG#)
      (RESI     9 AND NAME  HB#)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME  HB#)
      (RESI     9 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME  HG#)
      (RESI     9 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HA)
      (RESI     9 AND NAME   HN)      2.800 1.000 0.000
ASSI  (RESI     9 AND NAME  HG#)
      (RESI     9 AND NAME HE2#)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME HE2#)
      (RESI     9 AND NAME  HG#)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HA)
      (RESI     9 AND NAME  HG#)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI    10 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI    10 AND NAME  HD#)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI    10 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI    10 AND NAME  HG#)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME  HD#)
      (RESI    10 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME  HB#)
      (RESI    10 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME  HG#)
      (RESI    10 AND NAME  HD#)      2.800 1.000 0.000
ASSI  (RESI    10 AND NAME  HB#)
      (RESI    10 AND NAME  HD#)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME  HG#)
      (RESI    10 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME  HB#)
      (RESI    10 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HE)
      (RESI    10 AND NAME  HG#)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME   HE)
      (RESI    10 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HE)
      (RESI    10 AND NAME  HD#)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME  HG#)
      (RESI    10 AND NAME  HB#)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME   HA)
      (RESI    10 AND NAME  HB#)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME  HG#)
      (RESI    10 AND NAME   HE)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME   HA)
      (RESI    10 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME  HB#)
      (RESI    10 AND NAME   HE)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME  HD#)
      (RESI    10 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HA)
      (RESI    10 AND NAME  HD#)      5.000 3.200 0.000
! On my watch it's Wed Apr  9 18:21:13 2014.
!SQ
ASSI  (RESI     1 AND NAME  HB#)
      (RESI     2 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     1 AND NAME   HA)
      (RESI     2 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     2 AND NAME   HN)
      (RESI     1 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     2 AND NAME   HN)
      (RESI     1 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME   HN)
      (RESI     3 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME   HA)
      (RESI     3 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     3 AND NAME   HN)
      (RESI     2 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     3 AND NAME  HB#)
      (RESI     4 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HN)
      (RESI     4 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HN)
      (RESI     2 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     3 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     3 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HA)
      (RESI     6 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     5 AND NAME  HB#)
      (RESI     6 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     6 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HN)
      (RESI     5 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     6 AND NAME   HN)
      (RESI     5 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HA)
      (RESI     7 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     6 AND NAME   HN)
      (RESI     5 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     6 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     8 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HA)
      (RESI     8 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     7 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     8 AND NAME  HB#)
      (RESI     9 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     9 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     7 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HA)
      (RESI     9 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     8 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     8 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HA)
      (RESI    10 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     8 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME  HG#)
      (RESI    10 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI     9 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI     9 AND NAME  HG#)      5.000 3.200 0.000
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           HT1      SER   1   9.003  -3.720   7.217
    2    H2   SER   1           HT2      SER   1   7.428  -3.758   6.592
    3    H3   SER   1           HT3      SER   1   7.801  -2.743   7.900
    4    HA   SER   1           HA       SER   1   8.509  -1.118   6.599
    5    HB2  SER   1           HB2      SER   1   9.849  -2.974   4.669
    6    HB3  SER   1           HB1      SER   1  10.368  -1.389   5.237
    7    HG   SER   1           HG       SER   1  11.562  -2.515   6.567
    8    H    ARG   2           HN       ARG   2   6.072  -2.752   6.133
    9    HA   ARG   2           HA       ARG   2   5.578  -2.856   3.312
   10    HB2  ARG   2           HB2      ARG   2   4.351  -3.959   5.470
   11    HB3  ARG   2           HB1      ARG   2   3.273  -2.605   5.150
   12    HG2  ARG   2           HG2      ARG   2   2.312  -4.060   3.670
   13    HG3  ARG   2           HG1      ARG   2   3.625  -3.528   2.618
   14    HD2  ARG   2           HD2      ARG   2   3.498  -5.988   2.682
   15    HD3  ARG   2           HD1      ARG   2   5.015  -5.418   3.378
   16    HE   ARG   2           HE       ARG   2   2.914  -5.801   5.336
   17   HH11  ARG   2          HH11      ARG   2   3.292  -7.458   6.852
   18   HH12  ARG   2          HH12      ARG   2   4.496  -8.658   6.536
   19   HH21  ARG   2          HH21      ARG   2   5.414  -7.311   3.468
   20   HH22  ARG   2          HH22      ARG   2   5.707  -8.570   4.620
   21    H    SER   3           HN       SER   3   5.282  -0.500   5.810
   22    HA   SER   3           HA       SER   3   3.423   1.283   4.924
   23    HB2  SER   3           HB2      SER   3   6.053   2.280   5.950
   24    HB3  SER   3           HB1      SER   3   4.427   2.854   6.314
   25    HG   SER   3           HG       SER   3   4.997   1.645   8.057
   26    H    GLU   4           HN       GLU   4   6.784   1.032   3.754
   27    HA   GLU   4           HA       GLU   4   6.445   3.328   2.023
   28    HB2  GLU   4           HB2      GLU   4   8.630   1.282   1.744
   29    HB3  GLU   4           HB1      GLU   4   8.679   3.013   1.402
   30    HG2  GLU   4           HG2      GLU   4   9.716   3.084   3.445
   31    HG3  GLU   4           HG1      GLU   4   8.052   3.104   4.027
   32    H    LEU   5           HN       LEU   5   6.198  -0.128   1.790
   33    HA   LEU   5           HA       LEU   5   6.086  -0.264  -1.048
   34    HB2  LEU   5           HB2      LEU   5   4.846  -2.319   0.755
   35    HB3  LEU   5           HB1      LEU   5   5.696  -2.550  -0.777
   36    HG   LEU   5           HG       LEU   5   6.940  -1.696   1.851
   37   HD11  LEU   5          HD11      LEU   5   8.255  -3.886   1.306
   38   HD12  LEU   5          HD12      LEU   5   6.858  -4.258   0.295
   39   HD13  LEU   5          HD13      LEU   5   6.651  -3.999   2.025
   40   HD21  LEU   5          HD21      LEU   5   7.931  -1.729  -0.971
   41   HD22  LEU   5          HD22      LEU   5   9.051  -2.206   0.304
   42   HD23  LEU   5          HD23      LEU   5   8.309  -0.609   0.338
   43    H    ILE   6           HN       ILE   6   3.620  -0.284   1.516
   44    HA   ILE   6           HA       ILE   6   1.386  -0.672  -0.113
   45    HB   ILE   6           HB       ILE   6   1.290  -0.896   2.310
   46   HG12  ILE   6          HG12      ILE   6  -0.540   1.368   1.461
   47   HG13  ILE   6          HG11      ILE   6  -0.776  -0.304   0.948
   48   HG21  ILE   6          HG21      ILE   6   1.322   1.031   3.779
   49   HG22  ILE   6          HG22      ILE   6   1.474   2.129   2.409
   50   HG23  ILE   6          HG23      ILE   6   2.798   1.039   2.816
   51   HD11  ILE   6          HD11      ILE   6  -2.134   0.186   2.944
   52   HD12  ILE   6          HD12      ILE   6  -0.683   0.673   3.821
   53   HD13  ILE   6          HD13      ILE   6  -0.887  -1.004   3.320
   54    H    VAL   7           HN       VAL   7   2.901   2.432   0.831
   55    HA   VAL   7           HA       VAL   7   0.965   4.119  -0.169
   56    HB   VAL   7           HB       VAL   7   2.977   5.668  -0.637
   57   HG11  VAL   7          HG11      VAL   7   1.917   6.184   1.344
   58   HG12  VAL   7          HG12      VAL   7   3.442   5.595   2.000
   59   HG13  VAL   7          HG13      VAL   7   2.030   4.538   1.960
   60   HG21  VAL   7          HG21      VAL   7   4.709   3.990  -0.873
   61   HG22  VAL   7          HG22      VAL   7   4.317   3.302   0.702
   62   HG23  VAL   7          HG23      VAL   7   5.031   4.908   0.595
   63    H    HIS   8           HN       HIS   8   3.500   2.428  -1.918
   64    HA   HIS   8           HA       HIS   8   2.918   3.730  -4.417
   65    HB2  HIS   8           HB2      HIS   8   5.128   2.558  -3.749
   66    HB3  HIS   8           HB1      HIS   8   4.293   1.059  -4.157
   67    HD2  HIS   8           HD2      HIS   8   6.682   3.004  -6.028
   68    HE1  HIS   8           HE1      HIS   8   3.633   2.439  -8.892
   69    HE2  HIS   8           HE2      HIS   8   6.066   3.081  -8.566
   70    H    GLN   9           HN       GLN   9   2.297   0.464  -3.113
   71    HA   GLN   9           HA       GLN   9   0.704  -0.413  -5.282
   72    HB2  GLN   9           HB2      GLN   9   0.947  -1.272  -2.406
   73    HB3  GLN   9           HB1      GLN   9  -0.200  -2.043  -3.508
   74    HG2  GLN   9           HG2      GLN   9   1.457  -3.003  -4.782
   75    HG3  GLN   9           HG1      GLN   9   2.597  -1.689  -4.485
   76   HE21  GLN   9          HE21      GLN   9   3.211  -1.572  -1.960
   77   HE22  GLN   9          HE22      GLN   9   3.620  -3.074  -1.276
   78    H    ARG  10           HN       ARG  10   0.025   1.531  -2.505
   79    HA   ARG  10           HA       ARG  10  -2.838   1.306  -2.564
   80    HB2  ARG  10           HB2      ARG  10  -1.607   2.029  -0.548
   81    HB3  ARG  10           HB1      ARG  10  -1.059   3.472  -1.398
   82    HG2  ARG  10           HG2      ARG  10  -2.917   4.357  -0.346
   83    HG3  ARG  10           HG1      ARG  10  -3.693   3.769  -1.817
   84    HD2  ARG  10           HD2      ARG  10  -3.475   2.187   0.762
   85    HD3  ARG  10           HD1      ARG  10  -4.901   3.101   0.274
   86    HE   ARG  10           HE       ARG  10  -4.105   0.523  -0.700
   87   HH11  ARG  10          HH11      ARG  10  -5.456  -0.420  -2.224
   88   HH12  ARG  10          HH12      ARG  10  -6.571   0.547  -3.127
   89   HH21  ARG  10          HH21      ARG  10  -5.614   3.521  -1.613
   90   HH22  ARG  10          HH22      ARG  10  -6.658   2.782  -2.777
   91    HN1  NH2  11           H1       ARG  10  -0.567   3.849  -3.753
   92    HN2  NH2  11           H2       ARG  10  -1.680   4.521  -4.845
  Start of MODEL    2
    1    H1   SER   1           HT1      SER   1  11.144  -0.370   5.041
    2    H2   SER   1           HT2      SER   1   9.892   0.134   4.011
    3    H3   SER   1           HT3      SER   1  10.552  -1.431   3.869
    4    HA   SER   1           HA       SER   1   9.639  -2.135   5.897
    5    HB2  SER   1           HB2      SER   1   8.083  -0.015   6.822
    6    HB3  SER   1           HB1      SER   1   9.581  -0.590   7.539
    7    HG   SER   1           HG       SER   1   9.159   1.520   5.686
    8    H    ARG   2           HN       ARG   2   7.319  -2.627   6.202
    9    HA   ARG   2           HA       ARG   2   5.972  -2.988   3.783
   10    HB2  ARG   2           HB2      ARG   2   4.355  -2.822   6.280
   11    HB3  ARG   2           HB1      ARG   2   4.326  -4.029   4.998
   12    HG2  ARG   2           HG2      ARG   2   6.877  -4.318   6.041
   13    HG3  ARG   2           HG1      ARG   2   5.906  -3.970   7.473
   14    HD2  ARG   2           HD2      ARG   2   5.530  -6.225   7.397
   15    HD3  ARG   2           HD1      ARG   2   4.281  -5.753   6.252
   16    HE   ARG   2           HE       ARG   2   6.950  -6.824   5.550
   17   HH11  ARG   2          HH11      ARG   2   7.041  -7.783   3.528
   18   HH12  ARG   2          HH12      ARG   2   5.658  -7.758   2.481
   19   HH21  ARG   2          HH21      ARG   2   3.688  -5.961   4.694
   20   HH22  ARG   2          HH22      ARG   2   3.760  -6.725   3.144
   21    H    SER   3           HN       SER   3   5.870  -0.366   6.050
   22    HA   SER   3           HA       SER   3   3.495   0.885   5.496
   23    HB2  SER   3           HB2      SER   3   5.289   2.991   5.727
   24    HB3  SER   3           HB1      SER   3   4.457   2.182   7.051
   25    HG   SER   3           HG       SER   3   7.056   1.742   5.999
   26    H    GLU   4           HN       GLU   4   6.533   1.257   3.661
   27    HA   GLU   4           HA       GLU   4   5.346   3.142   1.840
   28    HB2  GLU   4           HB2      GLU   4   7.865   1.580   1.331
   29    HB3  GLU   4           HB1      GLU   4   7.442   3.195   0.761
   30    HG2  GLU   4           HG2      GLU   4   8.852   3.737   2.524
   31    HG3  GLU   4           HG1      GLU   4   7.301   3.708   3.364
   32    H    LEU   5           HN       LEU   5   5.978  -0.315   1.819
   33    HA   LEU   5           HA       LEU   5   5.594  -0.860  -0.887
   34    HB2  LEU   5           HB2      LEU   5   4.530  -2.723   1.213
   35    HB3  LEU   5           HB1      LEU   5   5.389  -3.099  -0.279
   36    HG   LEU   5           HG       LEU   5   6.543  -1.891   2.239
   37   HD11  LEU   5          HD11      LEU   5   6.232  -4.373   2.150
   38   HD12  LEU   5          HD12      LEU   5   7.916  -3.881   2.280
   39   HD13  LEU   5          HD13      LEU   5   7.274  -4.405   0.728
   40   HD21  LEU   5          HD21      LEU   5   8.717  -1.984   0.936
   41   HD22  LEU   5          HD22      LEU   5   7.595  -0.729   0.416
   42   HD23  LEU   5          HD23      LEU   5   7.746  -2.219  -0.516
   43    H    ILE   6           HN       ILE   6   3.143  -0.754   1.714
   44    HA   ILE   6           HA       ILE   6   0.976  -1.345  -0.012
   45    HB   ILE   6           HB       ILE   6  -0.429  -0.286   1.826
   46   HG12  ILE   6          HG12      ILE   6   2.335   0.031   3.046
   47   HG13  ILE   6          HG11      ILE   6   1.148   1.299   2.754
   48   HG21  ILE   6          HG21      ILE   6   1.580  -2.466   2.462
   49   HG22  ILE   6          HG22      ILE   6  -0.046  -2.667   1.806
   50   HG23  ILE   6          HG23      ILE   6   0.172  -2.108   3.463
   51   HD11  ILE   6          HD11      ILE   6   0.514   0.946   4.901
   52   HD12  ILE   6          HD12      ILE   6   1.335  -0.612   4.974
   53   HD13  ILE   6          HD13      ILE   6  -0.280  -0.501   4.279
   54    H    VAL   7           HN       VAL   7   2.452   1.675   1.072
   55    HA   VAL   7           HA       VAL   7   0.615   3.427  -0.145
   56    HB   VAL   7           HB       VAL   7   3.544   3.769   0.541
   57   HG11  VAL   7          HG11      VAL   7   1.498   5.858  -0.276
   58   HG12  VAL   7          HG12      VAL   7   2.895   5.359  -1.231
   59   HG13  VAL   7          HG13      VAL   7   3.124   6.195   0.305
   60   HG21  VAL   7          HG21      VAL   7   1.095   4.927   1.893
   61   HG22  VAL   7          HG22      VAL   7   2.746   4.863   2.510
   62   HG23  VAL   7          HG23      VAL   7   1.800   3.383   2.374
   63    H    HIS   8           HN       HIS   8   3.566   1.895  -1.295
   64    HA   HIS   8           HA       HIS   8   3.840   3.192  -3.760
   65    HB2  HIS   8           HB2      HIS   8   4.622   0.500  -2.718
   66    HB3  HIS   8           HB1      HIS   8   4.766   0.807  -4.447
   67    HD2  HIS   8           HD2      HIS   8   6.128   3.647  -4.691
   68    HE1  HIS   8           HE1      HIS   8   8.752   2.526  -1.578
   69    HE2  HIS   8           HE2      HIS   8   8.356   4.209  -3.446
   70    H    GLN   9           HN       GLN   9   1.654   0.649  -2.748
   71    HA   GLN   9           HA       GLN   9   0.735  -0.031  -5.388
   72    HB2  GLN   9           HB2      GLN   9  -0.676  -0.437  -2.745
   73    HB3  GLN   9           HB1      GLN   9  -1.022  -1.269  -4.257
   74    HG2  GLN   9           HG2      GLN   9   0.965  -2.516  -4.171
   75    HG3  GLN   9           HG1      GLN   9   1.729  -1.408  -3.041
   76   HE21  GLN   9          HE21      GLN   9   1.687  -4.156  -2.453
   77   HE22  GLN   9          HE22      GLN   9   0.626  -4.439  -1.159
   78    H    ARG  10           HN       ARG  10  -0.190   2.132  -2.825
   79    HA   ARG  10           HA       ARG  10  -2.624   3.031  -3.989
   80    HB2  ARG  10           HB2      ARG  10  -0.820   4.234  -1.885
   81    HB3  ARG  10           HB1      ARG  10  -2.425   4.832  -2.279
   82    HG2  ARG  10           HG2      ARG  10  -1.870   1.993  -1.386
   83    HG3  ARG  10           HG1      ARG  10  -2.339   3.281  -0.279
   84    HD2  ARG  10           HD2      ARG  10  -4.510   3.268  -0.969
   85    HD3  ARG  10           HD1      ARG  10  -4.072   2.987  -2.655
   86    HE   ARG  10           HE       ARG  10  -3.821   0.791  -0.697
   87   HH11  ARG  10          HH11      ARG  10  -4.773  -1.151  -1.376
   88   HH12  ARG  10          HH12      ARG  10  -5.751  -1.183  -2.809
   89   HH21  ARG  10          HH21      ARG  10  -5.306   2.204  -3.489
   90   HH22  ARG  10          HH22      ARG  10  -6.047   0.735  -4.017
   91    HN1  NH2  11           H1       ARG  10   0.603   4.632  -3.679
   92    HN2  NH2  11           H2       ARG  10   0.395   5.638  -5.036
  Start of MODEL    3
    1    H1   SER   1           HT1      SER   1  10.874  -0.893   3.748
    2    H2   SER   1           HT2      SER   1  10.112   0.632   3.671
    3    H3   SER   1           HT3      SER   1   9.349  -0.749   3.037
    4    HA   SER   1           HA       SER   1   9.891  -1.396   5.642
    5    HB2  SER   1           HB2      SER   1   8.423   1.222   5.672
    6    HB3  SER   1           HB1      SER   1   9.259   0.403   6.981
    7    HG   SER   1           HG       SER   1  10.299   1.940   4.842
    8    H    ARG   2           HN       ARG   2   7.674  -1.448   6.838
    9    HA   ARG   2           HA       ARG   2   5.887  -2.996   5.383
   10    HB2  ARG   2           HB2      ARG   2   4.367  -2.719   7.286
   11    HB3  ARG   2           HB1      ARG   2   6.023  -2.987   7.834
   12    HG2  ARG   2           HG2      ARG   2   6.157  -0.347   7.785
   13    HG3  ARG   2           HG1      ARG   2   4.401  -0.454   7.876
   14    HD2  ARG   2           HD2      ARG   2   5.202  -0.309  10.130
   15    HD3  ARG   2           HD1      ARG   2   4.684  -1.971   9.878
   16    HE   ARG   2           HE       ARG   2   7.487  -1.034  10.027
   17   HH11  ARG   2          HH11      ARG   2   8.952  -2.665  10.593
   18   HH12  ARG   2          HH12      ARG   2   8.419  -4.306  10.719
   19   HH21  ARG   2          HH21      ARG   2   5.130  -3.582   9.884
   20   HH22  ARG   2          HH22      ARG   2   6.254  -4.825  10.313
   21    H    SER   3           HN       SER   3   5.983   0.455   5.787
   22    HA   SER   3           HA       SER   3   3.303   0.940   4.879
   23    HB2  SER   3           HB2      SER   3   4.417   3.342   4.676
   24    HB3  SER   3           HB1      SER   3   4.033   2.639   6.251
   25    HG   SER   3           HG       SER   3   6.539   2.573   4.876
   26    H    GLU   4           HN       GLU   4   6.505   0.975   3.377
   27    HA   GLU   4           HA       GLU   4   5.931   2.358   1.045
   28    HB2  GLU   4           HB2      GLU   4   7.897   0.185   1.692
   29    HB3  GLU   4           HB1      GLU   4   7.787   0.846   0.062
   30    HG2  GLU   4           HG2      GLU   4   9.359   2.278   0.998
   31    HG3  GLU   4           HG1      GLU   4   7.873   3.167   1.323
   32    H    LEU   5           HN       LEU   5   5.859  -1.193   1.424
   33    HA   LEU   5           HA       LEU   5   5.019  -1.792  -1.154
   34    HB2  LEU   5           HB2      LEU   5   3.803  -3.488   0.939
   35    HB3  LEU   5           HB1      LEU   5   4.831  -3.930  -0.423
   36    HG   LEU   5           HG       LEU   5   6.690  -2.665   1.005
   37   HD11  LEU   5          HD11      LEU   5   5.456  -1.903   2.861
   38   HD12  LEU   5          HD12      LEU   5   6.193  -3.384   3.463
   39   HD13  LEU   5          HD13      LEU   5   4.505  -3.379   2.954
   40   HD21  LEU   5          HD21      LEU   5   6.838  -5.014   0.352
   41   HD22  LEU   5          HD22      LEU   5   5.664  -5.462   1.593
   42   HD23  LEU   5          HD23      LEU   5   7.252  -4.856   2.058
   43    H    ILE   6           HN       ILE   6   2.969  -1.110   1.687
   44    HA   ILE   6           HA       ILE   6   0.572  -1.500   0.199
   45    HB   ILE   6           HB       ILE   6  -0.530  -0.416   2.188
   46   HG12  ILE   6          HG12      ILE   6   2.364  -0.233   3.079
   47   HG13  ILE   6          HG11      ILE   6   1.221   1.095   2.906
   48   HG21  ILE   6          HG21      ILE   6   0.250  -2.919   1.933
   49   HG22  ILE   6          HG22      ILE   6  -0.305  -2.333   3.499
   50   HG23  ILE   6          HG23      ILE   6   1.423  -2.480   3.177
   51   HD11  ILE   6          HD11      ILE   6   1.313  -1.060   4.993
   52   HD12  ILE   6          HD12      ILE   6  -0.215  -0.256   4.621
   53   HD13  ILE   6          HD13      ILE   6   1.156   0.685   5.203
   54    H    VAL   7           HN       VAL   7   2.316   1.392   1.323
   55    HA   VAL   7           HA       VAL   7   0.470   3.204   0.148
   56    HB   VAL   7           HB       VAL   7   2.022   3.609   2.125
   57   HG11  VAL   7          HG11      VAL   7   4.242   4.226   1.746
   58   HG12  VAL   7          HG12      VAL   7   3.961   4.584   0.048
   59   HG13  VAL   7          HG13      VAL   7   4.035   2.912   0.590
   60   HG21  VAL   7          HG21      VAL   7   1.965   5.972   1.736
   61   HG22  VAL   7          HG22      VAL   7   0.587   5.319   0.849
   62   HG23  VAL   7          HG23      VAL   7   2.062   5.760  -0.012
   63    H    HIS   8           HN       HIS   8   3.584   1.949  -1.022
   64    HA   HIS   8           HA       HIS   8   3.996   3.855  -2.994
   65    HB2  HIS   8           HB2      HIS   8   5.686   2.547  -3.857
   66    HB3  HIS   8           HB1      HIS   8   5.564   1.958  -2.209
   67    HD2  HIS   8           HD2      HIS   8   5.682   0.520  -5.685
   68    HE1  HIS   8           HE1      HIS   8   3.935  -2.457  -3.258
   69    HE2  HIS   8           HE2      HIS   8   5.039  -2.005  -5.501
   70    H    GLN   9           HN       GLN   9   2.162   0.784  -3.439
   71    HA   GLN   9           HA       GLN   9   1.504   1.533  -6.149
   72    HB2  GLN   9           HB2      GLN   9  -0.205  -0.434  -4.725
   73    HB3  GLN   9           HB1      GLN   9   0.475  -0.494  -6.350
   74    HG2  GLN   9           HG2      GLN   9   2.743  -0.795  -5.279
   75    HG3  GLN   9           HG1      GLN   9   1.909  -1.010  -3.737
   76   HE21  GLN   9          HE21      GLN   9   1.216  -2.212  -7.077
   77   HE22  GLN   9          HE22      GLN   9   1.095  -3.837  -6.604
   78    H    ARG  10           HN       ARG  10  -0.091   1.630  -3.052
   79    HA   ARG  10           HA       ARG  10  -2.607   2.549  -4.015
   80    HB2  ARG  10           HB2      ARG  10  -1.310   2.367  -1.309
   81    HB3  ARG  10           HB1      ARG  10  -2.884   3.132  -1.511
   82    HG2  ARG  10           HG2      ARG  10  -2.942   0.648  -0.932
   83    HG3  ARG  10           HG1      ARG  10  -3.865   1.117  -2.356
   84    HD2  ARG  10           HD2      ARG  10  -2.141   0.330  -3.840
   85    HD3  ARG  10           HD1      ARG  10  -1.017   0.090  -2.509
   86    HE   ARG  10           HE       ARG  10  -2.629  -1.694  -1.732
   87   HH11  ARG  10          HH11      ARG  10  -3.247  -3.717  -2.583
   88   HH12  ARG  10          HH12      ARG  10  -3.402  -3.924  -4.297
   89   HH21  ARG  10          HH21      ARG  10  -2.538  -0.659  -5.052
   90   HH22  ARG  10          HH22      ARG  10  -2.976  -2.204  -5.690
   91    HN1  NH2  11           H1       ARG  10   0.261   4.276  -2.757
   92    HN2  NH2  11           H2       ARG  10  -0.339   5.820  -3.125
  Start of MODEL    4
    1    H1   SER   1           HT1      SER   1  10.025  -0.384   5.994
    2    H2   SER   1           HT2      SER   1  11.005  -1.534   5.229
    3    H3   SER   1           HT3      SER   1   9.661  -2.034   6.137
    4    HA   SER   1           HA       SER   1   9.139  -0.183   3.965
    5    HB2  SER   1           HB2      SER   1   9.871  -3.095   3.513
    6    HB3  SER   1           HB1      SER   1   9.201  -2.009   2.299
    7    HG   SER   1           HG       SER   1  11.032  -0.733   2.444
    8    H    ARG   2           HN       ARG   2   7.837  -0.898   6.442
    9    HA   ARG   2           HA       ARG   2   5.834  -2.887   5.952
   10    HB2  ARG   2           HB2      ARG   2   5.941  -0.634   7.972
   11    HB3  ARG   2           HB1      ARG   2   4.755  -1.940   7.978
   12    HG2  ARG   2           HG2      ARG   2   7.341  -3.138   7.759
   13    HG3  ARG   2           HG1      ARG   2   7.417  -1.954   9.064
   14    HD2  ARG   2           HD2      ARG   2   5.436  -4.228   8.772
   15    HD3  ARG   2           HD1      ARG   2   6.691  -4.067  10.000
   16    HE   ARG   2           HE       ARG   2   5.145  -1.808  10.302
   17   HH11  ARG   2          HH11      ARG   2   3.345  -1.728  11.695
   18   HH12  ARG   2          HH12      ARG   2   2.525  -3.187  12.132
   19   HH21  ARG   2          HH21      ARG   2   4.619  -5.235  10.265
   20   HH22  ARG   2          HH22      ARG   2   3.246  -5.177  11.322
   21    H    SER   3           HN       SER   3   5.821   0.634   5.989
   22    HA   SER   3           HA       SER   3   3.127   0.788   4.942
   23    HB2  SER   3           HB2      SER   3   4.281   3.316   4.775
   24    HB3  SER   3           HB1      SER   3   3.300   2.699   6.099
   25    HG   SER   3           HG       SER   3   5.484   3.504   6.633
   26    H    GLU   4           HN       GLU   4   6.392   1.063   3.683
   27    HA   GLU   4           HA       GLU   4   6.110   2.500   1.390
   28    HB2  GLU   4           HB2      GLU   4   7.710  -0.024   1.813
   29    HB3  GLU   4           HB1      GLU   4   7.882   1.019   0.401
   30    HG2  GLU   4           HG2      GLU   4   8.319   2.938   1.992
   31    HG3  GLU   4           HG1      GLU   4   8.399   1.751   3.293
   32    H    LEU   5           HN       LEU   5   5.806  -1.059   1.364
   33    HA   LEU   5           HA       LEU   5   4.864  -1.236  -1.254
   34    HB2  LEU   5           HB2      LEU   5   3.585  -3.301   0.213
   35    HB3  LEU   5           HB1      LEU   5   5.040  -3.405  -0.772
   36    HG   LEU   5           HG       LEU   5   6.370  -2.631   1.225
   37   HD11  LEU   5          HD11      LEU   5   3.609  -2.628   2.361
   38   HD12  LEU   5          HD12      LEU   5   4.977  -1.589   2.745
   39   HD13  LEU   5          HD13      LEU   5   4.900  -3.220   3.404
   40   HD21  LEU   5          HD21      LEU   5   4.730  -5.169   1.292
   41   HD22  LEU   5          HD22      LEU   5   5.974  -4.838   2.495
   42   HD23  LEU   5          HD23      LEU   5   6.409  -4.961   0.794
   43    H    ILE   6           HN       ILE   6   3.050  -0.826   1.765
   44    HA   ILE   6           HA       ILE   6   0.492  -1.123   0.622
   45    HB   ILE   6           HB       ILE   6   1.135   0.730   2.926
   46   HG12  ILE   6          HG12      ILE   6   2.310  -1.463   3.232
   47   HG13  ILE   6          HG11      ILE   6   1.041  -1.195   4.417
   48   HG21  ILE   6          HG21      ILE   6  -1.258  -1.009   2.230
   49   HG22  ILE   6          HG22      ILE   6  -1.188   0.754   2.182
   50   HG23  ILE   6          HG23      ILE   6  -1.081  -0.089   3.725
   51   HD11  ILE   6          HD11      ILE   6   0.810  -3.451   3.666
   52   HD12  ILE   6          HD12      ILE   6   0.927  -2.972   1.974
   53   HD13  ILE   6          HD13      ILE   6  -0.501  -2.542   2.917
   54    H    VAL   7           HN       VAL   7   2.346   1.847   1.338
   55    HA   VAL   7           HA       VAL   7   0.447   3.518  -0.006
   56    HB   VAL   7           HB       VAL   7   3.254   4.296   0.752
   57   HG11  VAL   7          HG11      VAL   7   1.992   5.918  -0.629
   58   HG12  VAL   7          HG12      VAL   7   2.208   6.524   1.013
   59   HG13  VAL   7          HG13      VAL   7   0.654   5.853   0.518
   60   HG21  VAL   7          HG21      VAL   7   0.743   4.132   2.436
   61   HG22  VAL   7          HG22      VAL   7   2.173   5.052   2.906
   62   HG23  VAL   7          HG23      VAL   7   2.267   3.304   2.723
   63    H    HIS   8           HN       HIS   8   3.558   2.135  -0.907
   64    HA   HIS   8           HA       HIS   8   4.141   3.647  -3.148
   65    HB2  HIS   8           HB2      HIS   8   4.749   0.817  -2.399
   66    HB3  HIS   8           HB1      HIS   8   5.131   1.359  -4.030
   67    HD2  HIS   8           HD2      HIS   8   5.644   3.586  -0.780
   68    HE1  HIS   8           HE1      HIS   8   9.397   2.947  -2.616
   69    HE2  HIS   8           HE2      HIS   8   8.201   4.134  -0.712
   70    H    GLN   9           HN       GLN   9   2.333   0.558  -3.168
   71    HA   GLN   9           HA       GLN   9   1.685   0.861  -5.941
   72    HB2  GLN   9           HB2      GLN   9   0.431  -0.987  -3.907
   73    HB3  GLN   9           HB1      GLN   9   0.312  -1.126  -5.658
   74    HG2  GLN   9           HG2      GLN   9   2.989  -1.051  -5.460
   75    HG3  GLN   9           HG1      GLN   9   2.632  -1.713  -3.864
   76   HE21  GLN   9          HE21      GLN   9   1.272  -2.261  -7.177
   77   HE22  GLN   9          HE22      GLN   9   1.376  -3.951  -7.088
   78    H    ARG  10           HN       ARG  10   0.077   1.633  -2.953
   79    HA   ARG  10           HA       ARG  10  -2.496   2.136  -4.081
   80    HB2  ARG  10           HB2      ARG  10  -1.168   2.483  -1.484
   81    HB3  ARG  10           HB1      ARG  10  -2.352   3.728  -1.840
   82    HG2  ARG  10           HG2      ARG  10  -3.283   1.707  -0.641
   83    HG3  ARG  10           HG1      ARG  10  -4.103   2.112  -2.149
   84    HD2  ARG  10           HD2      ARG  10  -3.615  -0.349  -1.870
   85    HD3  ARG  10           HD1      ARG  10  -2.947   0.354  -3.337
   86    HE   ARG  10           HE       ARG  10  -0.942   0.542  -1.399
   87   HH11  ARG  10          HH11      ARG  10   0.724  -1.024  -1.348
   88   HH12  ARG  10          HH12      ARG  10   0.417  -2.620  -1.958
   89   HH21  ARG  10          HH21      ARG  10  -2.844  -1.942  -2.925
   90   HH22  ARG  10          HH22      ARG  10  -1.586  -3.134  -2.858
   91    HN1  NH2  11           H1       ARG  10   0.296   4.283  -3.320
   92    HN2  NH2  11           H2       ARG  10  -0.270   5.576  -4.270
  Start of MODEL    5
    1    H1   SER   1           HT1      SER   1   9.656  -0.643   3.246
    2    H2   SER   1           HT2      SER   1  10.959  -1.649   3.662
    3    H3   SER   1           HT3      SER   1  10.824  -0.105   4.353
    4    HA   SER   1           HA       SER   1   9.925  -2.450   5.430
    5    HB2  SER   1           HB2      SER   1   8.529  -0.153   6.499
    6    HB3  SER   1           HB1      SER   1   9.847  -1.075   7.209
    7    HG   SER   1           HG       SER   1  10.012   1.097   5.363
    8    H    ARG   2           HN       ARG   2   7.558  -2.521   6.418
    9    HA   ARG   2           HA       ARG   2   5.802  -3.175   4.332
   10    HB2  ARG   2           HB2      ARG   2   5.867  -3.532   7.086
   11    HB3  ARG   2           HB1      ARG   2   4.454  -2.510   6.831
   12    HG2  ARG   2           HG2      ARG   2   4.194  -4.374   4.810
   13    HG3  ARG   2           HG1      ARG   2   4.872  -5.339   6.120
   14    HD2  ARG   2           HD2      ARG   2   2.327  -3.716   6.113
   15    HD3  ARG   2           HD1      ARG   2   2.521  -5.431   6.445
   16    HE   ARG   2           HE       ARG   2   3.091  -3.216   8.280
   17   HH11  ARG   2          HH11      ARG   2   3.293  -3.843  10.445
   18   HH12  ARG   2          HH12      ARG   2   3.404  -5.523  10.861
   19   HH21  ARG   2          HH21      ARG   2   3.166  -6.618   7.572
   20   HH22  ARG   2          HH22      ARG   2   3.319  -7.093   9.230
   21    H    SER   3           HN       SER   3   6.163  -0.273   6.238
   22    HA   SER   3           HA       SER   3   3.786   1.037   5.631
   23    HB2  SER   3           HB2      SER   3   5.787   3.015   5.804
   24    HB3  SER   3           HB1      SER   3   4.733   2.430   7.092
   25    HG   SER   3           HG       SER   3   7.230   2.242   7.176
   26    H    GLU   4           HN       GLU   4   6.720   0.753   3.680
   27    HA   GLU   4           HA       GLU   4   5.876   2.828   1.846
   28    HB2  GLU   4           HB2      GLU   4   8.055   0.749   1.551
   29    HB3  GLU   4           HB1      GLU   4   7.842   2.180   0.544
   30    HG2  GLU   4           HG2      GLU   4   9.281   3.151   2.019
   31    HG3  GLU   4           HG1      GLU   4   7.847   3.304   3.031
   32    H    LEU   5           HN       LEU   5   5.429  -0.567   2.164
   33    HA   LEU   5           HA       LEU   5   4.941  -1.194  -0.545
   34    HB2  LEU   5           HB2      LEU   5   3.718  -2.650   1.783
   35    HB3  LEU   5           HB1      LEU   5   4.191  -3.295   0.213
   36    HG   LEU   5           HG       LEU   5   6.067  -2.220   2.339
   37   HD11  LEU   5          HD11      LEU   5   6.054  -5.019   1.263
   38   HD12  LEU   5          HD12      LEU   5   4.906  -4.572   2.521
   39   HD13  LEU   5          HD13      LEU   5   6.634  -4.427   2.819
   40   HD21  LEU   5          HD21      LEU   5   7.789  -3.288   0.712
   41   HD22  LEU   5          HD22      LEU   5   7.115  -1.712   0.282
   42   HD23  LEU   5          HD23      LEU   5   6.498  -3.177  -0.491
   43    H    ILE   6           HN       ILE   6   2.797  -0.079   2.043
   44    HA   ILE   6           HA       ILE   6   0.425  -0.560   0.561
   45    HB   ILE   6           HB       ILE   6  -0.691   0.837   2.257
   46   HG12  ILE   6          HG12      ILE   6   2.175   1.408   3.034
   47   HG13  ILE   6          HG11      ILE   6   0.884   2.559   2.702
   48   HG21  ILE   6          HG21      ILE   6   0.374  -1.635   2.578
   49   HG22  ILE   6          HG22      ILE   6  -0.553  -0.826   3.837
   50   HG23  ILE   6          HG23      ILE   6   1.205  -0.785   3.878
   51   HD11  ILE   6          HD11      ILE   6   0.947   2.567   5.045
   52   HD12  ILE   6          HD12      ILE   6   1.294   0.839   5.134
   53   HD13  ILE   6          HD13      ILE   6  -0.328   1.387   4.710
   54    H    VAL   7           HN       VAL   7   2.340   2.385   1.093
   55    HA   VAL   7           HA       VAL   7   0.601   4.080  -0.346
   56    HB   VAL   7           HB       VAL   7   2.894   5.456  -0.413
   57   HG11  VAL   7          HG11      VAL   7   0.945   6.229   0.762
   58   HG12  VAL   7          HG12      VAL   7   2.267   6.217   1.923
   59   HG13  VAL   7          HG13      VAL   7   1.070   4.926   1.948
   60   HG21  VAL   7          HG21      VAL   7   4.472   4.789   1.161
   61   HG22  VAL   7          HG22      VAL   7   3.937   3.214   0.582
   62   HG23  VAL   7          HG23      VAL   7   3.301   3.864   2.090
   63    H    HIS   8           HN       HIS   8   3.414   2.226  -1.426
   64    HA   HIS   8           HA       HIS   8   3.706   3.680  -3.846
   65    HB2  HIS   8           HB2      HIS   8   5.405   2.244  -4.395
   66    HB3  HIS   8           HB1      HIS   8   5.353   2.032  -2.652
   67    HD2  HIS   8           HD2      HIS   8   4.735  -0.034  -5.894
   68    HE1  HIS   8           HE1      HIS   8   3.899  -2.549  -2.610
   69    HE2  HIS   8           HE2      HIS   8   4.237  -2.483  -5.127
   70    H    GLN   9           HN       GLN   9   2.166   0.464  -3.323
   71    HA   GLN   9           HA       GLN   9   1.325   0.309  -6.047
   72    HB2  GLN   9           HB2      GLN   9  -0.311  -1.472  -5.042
   73    HB3  GLN   9           HB1      GLN   9   1.422  -1.790  -5.080
   74    HG2  GLN   9           HG2      GLN   9   1.663  -1.144  -2.783
   75    HG3  GLN   9           HG1      GLN   9  -0.008  -0.580  -2.705
   76   HE21  GLN   9          HE21      GLN   9   1.856  -3.577  -3.449
   77   HE22  GLN   9          HE22      GLN   9   0.710  -4.626  -2.768
   78    H    ARG  10           HN       ARG  10  -0.194   1.508  -3.137
   79    HA   ARG  10           HA       ARG  10  -2.778   1.829  -4.338
   80    HB2  ARG  10           HB2      ARG  10  -1.937   1.833  -1.762
   81    HB3  ARG  10           HB1      ARG  10  -2.059   3.568  -2.047
   82    HG2  ARG  10           HG2      ARG  10  -4.212   2.881  -1.261
   83    HG3  ARG  10           HG1      ARG  10  -4.388   3.115  -2.998
   84    HD2  ARG  10           HD2      ARG  10  -3.907   0.608  -3.238
   85    HD3  ARG  10           HD1      ARG  10  -4.125   0.502  -1.494
   86    HE   ARG  10           HE       ARG  10  -6.203   0.874  -3.479
   87   HH11  ARG  10          HH11      ARG  10  -8.312   0.882  -2.673
   88   HH12  ARG  10          HH12      ARG  10  -8.598   1.131  -0.979
   89   HH21  ARG  10          HH21      ARG  10  -5.221   1.408  -0.198
   90   HH22  ARG  10          HH22      ARG  10  -6.832   1.448   0.427
   91    HN1  NH2  11           H1       ARG  10  -3.764   4.104  -4.579
   92    HN2  NH2  11           H2       ARG  10  -2.773   5.301  -5.261
  Start of MODEL    6
    1    H1   SER   1           HT1      SER   1   9.064  -3.028   6.209
    2    H2   SER   1           HT2      SER   1  10.541  -2.203   6.134
    3    H3   SER   1           HT3      SER   1  10.222  -3.471   5.053
    4    HA   SER   1           HA       SER   1   9.401  -0.708   4.954
    5    HB2  SER   1           HB2      SER   1   9.143  -2.080   2.494
    6    HB3  SER   1           HB1      SER   1  10.482  -1.054   3.010
    7    HG   SER   1           HG       SER   1  11.618  -2.820   3.064
    8    H    ARG   2           HN       ARG   2   7.533  -1.883   6.502
    9    HA   ARG   2           HA       ARG   2   5.397  -3.117   5.089
   10    HB2  ARG   2           HB2      ARG   2   5.098  -1.617   7.685
   11    HB3  ARG   2           HB1      ARG   2   4.203  -3.027   7.125
   12    HG2  ARG   2           HG2      ARG   2   6.467  -4.264   7.154
   13    HG3  ARG   2           HG1      ARG   2   7.067  -2.899   8.097
   14    HD2  ARG   2           HD2      ARG   2   4.688  -4.631   8.824
   15    HD3  ARG   2           HD1      ARG   2   6.285  -4.723   9.565
   16    HE   ARG   2           HE       ARG   2   5.721  -2.168  10.037
   17   HH11  ARG   2          HH11      ARG   2   4.370  -1.311  11.657
   18   HH12  ARG   2          HH12      ARG   2   3.058  -2.259  12.280
   19   HH21  ARG   2          HH21      ARG   2   3.729  -5.002  10.259
   20   HH22  ARG   2          HH22      ARG   2   2.698  -4.352  11.487
   21    H    SER   3           HN       SER   3   6.231   0.193   5.763
   22    HA   SER   3           HA       SER   3   3.631   1.257   5.152
   23    HB2  SER   3           HB2      SER   3   6.068   2.969   5.090
   24    HB3  SER   3           HB1      SER   3   4.483   3.283   5.793
   25    HG   SER   3           HG       SER   3   5.047   2.237   7.571
   26    H    GLU   4           HN       GLU   4   6.726   1.149   3.360
   27    HA   GLU   4           HA       GLU   4   5.993   2.777   1.221
   28    HB2  GLU   4           HB2      GLU   4   7.594   0.904   0.009
   29    HB3  GLU   4           HB1      GLU   4   8.159   2.325   0.881
   30    HG2  GLU   4           HG2      GLU   4   7.562  -0.214   2.378
   31    HG3  GLU   4           HG1      GLU   4   9.098  -0.023   1.536
   32    H    LEU   5           HN       LEU   5   5.591  -0.733   1.498
   33    HA   LEU   5           HA       LEU   5   4.617  -1.215  -1.061
   34    HB2  LEU   5           HB2      LEU   5   3.245  -2.800   0.984
   35    HB3  LEU   5           HB1      LEU   5   4.310  -3.319  -0.323
   36    HG   LEU   5           HG       LEU   5   5.250  -2.092   2.291
   37   HD11  LEU   5          HD11      LEU   5   6.097  -4.399   2.727
   38   HD12  LEU   5          HD12      LEU   5   5.189  -4.949   1.320
   39   HD13  LEU   5          HD13      LEU   5   4.335  -4.278   2.708
   40   HD21  LEU   5          HD21      LEU   5   7.368  -3.425   1.139
   41   HD22  LEU   5          HD22      LEU   5   7.099  -1.689   1.012
   42   HD23  LEU   5          HD23      LEU   5   6.552  -2.757  -0.277
   43    H    ILE   6           HN       ILE   6   2.721  -0.406   1.863
   44    HA   ILE   6           HA       ILE   6   0.235  -0.523   0.529
   45    HB   ILE   6           HB       ILE   6   0.408   1.363   2.787
   46   HG12  ILE   6          HG12      ILE   6   2.223  -0.223   3.384
   47   HG13  ILE   6          HG11      ILE   6   0.833  -0.390   4.453
   48   HG21  ILE   6          HG21      ILE   6  -1.243  -1.024   1.981
   49   HG22  ILE   6          HG22      ILE   6  -1.745   0.655   2.170
   50   HG23  ILE   6          HG23      ILE   6  -1.376  -0.321   3.589
   51   HD11  ILE   6          HD11      ILE   6   2.044  -2.434   2.914
   52   HD12  ILE   6          HD12      ILE   6   0.488  -2.104   2.155
   53   HD13  ILE   6          HD13      ILE   6   0.558  -2.541   3.856
   54    H    VAL   7           HN       VAL   7   2.320   2.275   1.323
   55    HA   VAL   7           HA       VAL   7   0.562   4.141   0.115
   56    HB   VAL   7           HB       VAL   7   2.430   5.720   0.406
   57   HG11  VAL   7          HG11      VAL   7   0.853   4.829   2.288
   58   HG12  VAL   7          HG12      VAL   7   2.277   5.757   2.747
   59   HG13  VAL   7          HG13      VAL   7   2.298   4.001   2.868
   60   HG21  VAL   7          HG21      VAL   7   4.485   4.754   0.153
   61   HG22  VAL   7          HG22      VAL   7   3.918   3.184   0.709
   62   HG23  VAL   7          HG23      VAL   7   4.321   4.431   1.879
   63    H    HIS   8           HN       HIS   8   3.530   2.572  -1.009
   64    HA   HIS   8           HA       HIS   8   3.547   4.049  -3.471
   65    HB2  HIS   8           HB2      HIS   8   5.107   1.595  -2.648
   66    HB3  HIS   8           HB1      HIS   8   5.391   2.536  -4.109
   67    HD2  HIS   8           HD2      HIS   8   7.594   2.451  -1.516
   68    HE1  HIS   8           HE1      HIS   8   6.516   6.514  -1.142
   69    HE2  HIS   8           HE2      HIS   8   8.230   4.761  -0.474
   70    H    GLN   9           HN       GLN   9   2.517   0.732  -2.641
   71    HA   GLN   9           HA       GLN   9   2.073   0.027  -5.379
   72    HB2  GLN   9           HB2      GLN   9   0.879  -1.238  -2.905
   73    HB3  GLN   9           HB1      GLN   9   0.985  -1.959  -4.510
   74    HG2  GLN   9           HG2      GLN   9   3.582  -0.998  -3.547
   75    HG3  GLN   9           HG1      GLN   9   2.881  -2.225  -2.496
   76   HE21  GLN   9          HE21      GLN   9   2.943  -1.767  -6.081
   77   HE22  GLN   9          HE22      GLN   9   3.464  -3.352  -6.407
   78    H    ARG  10           HN       ARG  10   0.224   1.604  -2.922
   79    HA   ARG  10           HA       ARG  10  -2.345   1.274  -4.127
   80    HB2  ARG  10           HB2      ARG  10  -1.192   2.987  -1.972
   81    HB3  ARG  10           HB1      ARG  10  -2.743   3.447  -2.665
   82    HG2  ARG  10           HG2      ARG  10  -2.493   0.571  -2.021
   83    HG3  ARG  10           HG1      ARG  10  -2.448   1.641  -0.622
   84    HD2  ARG  10           HD2      ARG  10  -4.751   0.811  -1.369
   85    HD3  ARG  10           HD1      ARG  10  -4.584   2.541  -1.097
   86    HE   ARG  10           HE       ARG  10  -4.069   2.316  -3.752
   87   HH11  ARG  10          HH11      ARG  10  -5.666   2.314  -5.379
   88   HH12  ARG  10          HH12      ARG  10  -7.276   1.798  -5.009
   89   HH21  ARG  10          HH21      ARG  10  -6.574   1.102  -1.677
   90   HH22  ARG  10          HH22      ARG  10  -7.792   1.110  -2.909
   91    HN1  NH2  11           H1       ARG  10   0.343   3.427  -4.801
   92    HN2  NH2  11           H2       ARG  10  -0.482   4.430  -5.899
  Start of MODEL    7
    1    H1   SER   1           HT1      SER   1  10.441  -1.215   4.420
    2    H2   SER   1           HT2      SER   1  10.660  -0.393   5.884
    3    H3   SER   1           HT3      SER   1   9.505   0.161   4.769
    4    HA   SER   1           HA       SER   1   9.368  -2.492   6.073
    5    HB2  SER   1           HB2      SER   1   9.238  -0.548   7.693
    6    HB3  SER   1           HB1      SER   1   7.847   0.037   6.789
    7    HG   SER   1           HG       SER   1   6.943  -1.206   8.311
    8    H    ARG   2           HN       ARG   2   6.643  -2.515   6.268
    9    HA   ARG   2           HA       ARG   2   5.827  -2.997   3.562
   10    HB2  ARG   2           HB2      ARG   2   3.558  -3.405   4.645
   11    HB3  ARG   2           HB1      ARG   2   4.873  -4.433   5.218
   12    HG2  ARG   2           HG2      ARG   2   5.044  -2.244   6.907
   13    HG3  ARG   2           HG1      ARG   2   3.307  -2.412   6.673
   14    HD2  ARG   2           HD2      ARG   2   5.218  -4.571   7.610
   15    HD3  ARG   2           HD1      ARG   2   3.985  -3.768   8.579
   16    HE   ARG   2           HE       ARG   2   2.647  -4.883   6.414
   17   HH11  ARG   2          HH11      ARG   2   1.621  -6.904   6.617
   18   HH12  ARG   2          HH12      ARG   2   2.167  -8.031   7.813
   19   HH21  ARG   2          HH21      ARG   2   4.681  -5.960   9.010
   20   HH22  ARG   2          HH22      ARG   2   3.906  -7.502   9.159
   21    H    SER   3           HN       SER   3   5.556  -0.431   5.836
   22    HA   SER   3           HA       SER   3   3.410   1.056   5.052
   23    HB2  SER   3           HB2      SER   3   5.854   2.623   5.526
   24    HB3  SER   3           HB1      SER   3   4.316   2.636   6.389
   25    HG   SER   3           HG       SER   3   5.784   1.732   7.765
   26    H    GLU   4           HN       GLU   4   6.674   1.225   3.564
   27    HA   GLU   4           HA       GLU   4   5.908   3.241   1.699
   28    HB2  GLU   4           HB2      GLU   4   7.985   2.015   0.439
   29    HB3  GLU   4           HB1      GLU   4   8.177   3.223   1.706
   30    HG2  GLU   4           HG2      GLU   4   7.891   0.312   2.399
   31    HG3  GLU   4           HG1      GLU   4   9.454   0.967   1.926
   32    H    LEU   5           HN       LEU   5   6.125  -0.257   1.535
   33    HA   LEU   5           HA       LEU   5   5.564  -0.629  -1.173
   34    HB2  LEU   5           HB2      LEU   5   4.412  -2.571   0.773
   35    HB3  LEU   5           HB1      LEU   5   5.356  -2.863  -0.687
   36    HG   LEU   5           HG       LEU   5   6.419  -1.836   1.966
   37   HD11  LEU   5          HD11      LEU   5   5.850  -4.341   1.597
   38   HD12  LEU   5          HD12      LEU   5   7.452  -3.933   2.217
   39   HD13  LEU   5          HD13      LEU   5   7.236  -4.343   0.514
   40   HD21  LEU   5          HD21      LEU   5   7.966  -0.835   0.626
   41   HD22  LEU   5          HD22      LEU   5   7.503  -1.790  -0.782
   42   HD23  LEU   5          HD23      LEU   5   8.590  -2.474   0.422
   43    H    ILE   6           HN       ILE   6   3.268  -0.520   1.582
   44    HA   ILE   6           HA       ILE   6   0.984  -0.915  -0.029
   45    HB   ILE   6           HB       ILE   6  -0.292   0.076   1.883
   46   HG12  ILE   6          HG12      ILE   6   2.511   0.482   2.974
   47   HG13  ILE   6          HG11      ILE   6   1.300   1.728   2.679
   48   HG21  ILE   6          HG21      ILE   6   0.100  -1.788   3.311
   49   HG22  ILE   6          HG22      ILE   6   1.802  -1.872   2.857
   50   HG23  ILE   6          HG23      ILE   6   0.561  -2.349   1.701
   51   HD11  ILE   6          HD11      ILE   6   0.963   1.406   4.943
   52   HD12  ILE   6          HD12      ILE   6   1.460  -0.285   4.878
   53   HD13  ILE   6          HD13      ILE   6  -0.143   0.184   4.314
   54    H    VAL   7           HN       VAL   7   2.605   2.053   1.085
   55    HA   VAL   7           HA       VAL   7   0.781   3.872  -0.038
   56    HB   VAL   7           HB       VAL   7   3.772   4.174   0.352
   57   HG11  VAL   7          HG11      VAL   7   3.360   6.035  -0.927
   58   HG12  VAL   7          HG12      VAL   7   2.750   6.665   0.602
   59   HG13  VAL   7          HG13      VAL   7   1.629   6.010  -0.589
   60   HG21  VAL   7          HG21      VAL   7   1.615   5.316   2.111
   61   HG22  VAL   7          HG22      VAL   7   3.300   4.977   2.502
   62   HG23  VAL   7          HG23      VAL   7   2.147   3.653   2.347
   63    H    HIS   8           HN       HIS   8   3.592   2.238  -1.365
   64    HA   HIS   8           HA       HIS   8   3.564   3.519  -3.902
   65    HB2  HIS   8           HB2      HIS   8   5.538   2.421  -3.847
   66    HB3  HIS   8           HB1      HIS   8   4.961   1.274  -2.642
   67    HD2  HIS   8           HD2      HIS   8   5.008  -1.240  -3.744
   68    HE1  HIS   8           HE1      HIS   8   4.014  -0.197  -7.710
   69    HE2  HIS   8           HE2      HIS   8   4.598  -2.129  -6.165
   70    H    GLN   9           HN       GLN   9   2.216   0.455  -2.723
   71    HA   GLN   9           HA       GLN   9   0.977  -0.361  -5.118
   72    HB2  GLN   9           HB2      GLN   9   0.215  -0.884  -2.230
   73    HB3  GLN   9           HB1      GLN   9  -0.491  -1.719  -3.612
   74    HG2  GLN   9           HG2      GLN   9   2.395  -1.787  -3.804
   75    HG3  GLN   9           HG1      GLN   9   1.883  -2.395  -2.230
   76   HE21  GLN   9          HE21      GLN   9   2.100  -4.638  -2.562
   77   HE22  GLN   9          HE22      GLN   9   1.254  -5.491  -3.761
   78    H    ARG  10           HN       ARG  10  -0.012   1.742  -2.500
   79    HA   ARG  10           HA       ARG  10  -2.710   2.105  -3.228
   80    HB2  ARG  10           HB2      ARG  10  -0.729   3.466  -1.529
   81    HB3  ARG  10           HB1      ARG  10  -1.949   4.550  -2.187
   82    HG2  ARG  10           HG2      ARG  10  -2.500   1.987  -0.654
   83    HG3  ARG  10           HG1      ARG  10  -2.655   3.621  -0.015
   84    HD2  ARG  10           HD2      ARG  10  -4.432   2.143  -1.896
   85    HD3  ARG  10           HD1      ARG  10  -4.847   3.293  -0.623
   86    HE   ARG  10           HE       ARG  10  -3.507   4.667  -2.701
   87   HH11  ARG  10          HH11      ARG  10  -4.700   5.826  -4.210
   88   HH12  ARG  10          HH12      ARG  10  -6.390   5.499  -4.424
   89   HH21  ARG  10          HH21      ARG  10  -6.492   3.019  -2.002
   90   HH22  ARG  10          HH22      ARG  10  -7.404   3.906  -3.173
   91    HN1  NH2  11           H1       ARG  10   0.163   3.116  -4.842
   92    HN2  NH2  11           H2       ARG  10  -0.569   4.219  -5.903
  Start of MODEL    8
    1    H1   SER   1           HT1      SER   1  10.840  -2.282   5.822
    2    H2   SER   1           HT2      SER   1   9.567  -3.082   5.031
    3    H3   SER   1           HT3      SER   1   9.467  -2.744   6.687
    4    HA   SER   1           HA       SER   1   9.038  -0.537   6.375
    5    HB2  SER   1           HB2      SER   1   9.834  -0.519   3.498
    6    HB3  SER   1           HB1      SER   1   9.966   0.759   4.702
    7    HG   SER   1           HG       SER   1  12.010   0.052   4.441
    8    H    ARG   2           HN       ARG   2   7.204  -2.378   6.399
    9    HA   ARG   2           HA       ARG   2   5.725  -2.996   4.116
   10    HB2  ARG   2           HB2      ARG   2   4.444  -2.379   6.768
   11    HB3  ARG   2           HB1      ARG   2   3.953  -3.577   5.570
   12    HG2  ARG   2           HG2      ARG   2   5.367  -5.139   6.403
   13    HG3  ARG   2           HG1      ARG   2   6.695  -3.991   6.531
   14    HD2  ARG   2           HD2      ARG   2   5.915  -4.900   8.750
   15    HD3  ARG   2           HD1      ARG   2   5.856  -3.141   8.631
   16    HE   ARG   2           HE       ARG   2   3.384  -4.483   7.896
   17   HH11  ARG   2          HH11      ARG   2   1.614  -4.051   9.242
   18   HH12  ARG   2          HH12      ARG   2   1.859  -3.294  10.782
   19   HH21  ARG   2          HH21      ARG   2   5.301  -3.057  10.426
   20   HH22  ARG   2          HH22      ARG   2   3.944  -2.729  11.451
   21    H    SER   3           HN       SER   3   5.686  -0.187   6.177
   22    HA   SER   3           HA       SER   3   3.418   1.130   5.262
   23    HB2  SER   3           HB2      SER   3   5.599   2.978   5.723
   24    HB3  SER   3           HB1      SER   3   4.120   2.742   6.644
   25    HG   SER   3           HG       SER   3   6.639   1.888   7.151
   26    H    GLU   4           HN       GLU   4   6.473   0.673   3.622
   27    HA   GLU   4           HA       GLU   4   6.040   2.858   1.782
   28    HB2  GLU   4           HB2      GLU   4   8.043   0.625   1.967
   29    HB3  GLU   4           HB1      GLU   4   7.972   1.682   0.558
   30    HG2  GLU   4           HG2      GLU   4   8.342   2.583   3.432
   31    HG3  GLU   4           HG1      GLU   4   9.600   2.530   2.198
   32    H    LEU   5           HN       LEU   5   6.218  -0.676   1.343
   33    HA   LEU   5           HA       LEU   5   5.383  -0.755  -1.292
   34    HB2  LEU   5           HB2      LEU   5   4.592  -2.867   0.685
   35    HB3  LEU   5           HB1      LEU   5   5.040  -3.059  -1.010
   36    HG   LEU   5           HG       LEU   5   7.301  -1.880  -0.030
   37   HD11  LEU   5          HD11      LEU   5   7.797  -2.537   2.150
   38   HD12  LEU   5          HD12      LEU   5   6.616  -3.843   2.133
   39   HD13  LEU   5          HD13      LEU   5   6.078  -2.176   2.292
   40   HD21  LEU   5          HD21      LEU   5   8.281  -3.871  -0.581
   41   HD22  LEU   5          HD22      LEU   5   6.671  -4.242  -1.205
   42   HD23  LEU   5          HD23      LEU   5   7.153  -4.812   0.394
   43    H    ILE   6           HN       ILE   6   3.309  -0.956   1.626
   44    HA   ILE   6           HA       ILE   6   0.901  -1.351   0.255
   45    HB   ILE   6           HB       ILE   6  -0.217  -0.475   2.259
   46   HG12  ILE   6          HG12      ILE   6   2.574   0.485   2.932
   47   HG13  ILE   6          HG11      ILE   6   1.098   1.443   2.817
   48   HG21  ILE   6          HG21      ILE   6   2.179  -1.977   3.269
   49   HG22  ILE   6          HG22      ILE   6   1.083  -2.753   2.128
   50   HG23  ILE   6          HG23      ILE   6   0.482  -2.187   3.689
   51   HD11  ILE   6          HD11      ILE   6   0.252  -0.207   4.706
   52   HD12  ILE   6          HD12      ILE   6   1.259   1.179   5.126
   53   HD13  ILE   6          HD13      ILE   6   1.979  -0.427   4.991
   54    H    VAL   7           HN       VAL   7   2.575   1.654   1.107
   55    HA   VAL   7           HA       VAL   7   0.560   3.367   0.064
   56    HB   VAL   7           HB       VAL   7   3.464   3.841   0.738
   57   HG11  VAL   7          HG11      VAL   7   1.312   5.821  -0.076
   58   HG12  VAL   7          HG12      VAL   7   2.797   5.468  -0.964
   59   HG13  VAL   7          HG13      VAL   7   2.877   6.266   0.605
   60   HG21  VAL   7          HG21      VAL   7   2.655   4.744   2.763
   61   HG22  VAL   7          HG22      VAL   7   1.658   3.312   2.524
   62   HG23  VAL   7          HG23      VAL   7   1.013   4.905   2.137
   63    H    HIS   8           HN       HIS   8   3.529   2.006  -1.269
   64    HA   HIS   8           HA       HIS   8   3.724   3.497  -3.620
   65    HB2  HIS   8           HB2      HIS   8   4.372   0.568  -3.213
   66    HB3  HIS   8           HB1      HIS   8   4.890   1.537  -4.590
   67    HD2  HIS   8           HD2      HIS   8   5.211   3.850  -1.648
   68    HE1  HIS   8           HE1      HIS   8   8.899   1.795  -1.752
   69    HE2  HIS   8           HE2      HIS   8   7.661   3.769  -0.731
   70    H    GLN   9           HN       GLN   9   2.026   0.385  -3.172
   71    HA   GLN   9           HA       GLN   9   0.949   0.288  -5.783
   72    HB2  GLN   9           HB2      GLN   9  -0.914  -0.990  -4.093
   73    HB3  GLN   9           HB1      GLN   9   0.377  -1.752  -5.022
   74    HG2  GLN   9           HG2      GLN   9   1.925  -1.521  -3.175
   75    HG3  GLN   9           HG1      GLN   9   0.754  -0.579  -2.258
   76   HE21  GLN   9          HE21      GLN   9   1.547  -3.834  -3.373
   77   HE22  GLN   9          HE22      GLN   9   0.423  -4.633  -2.385
   78    H    ARG  10           HN       ARG  10   0.033   2.035  -2.954
   79    HA   ARG  10           HA       ARG  10  -2.657   2.604  -3.740
   80    HB2  ARG  10           HB2      ARG  10  -1.010   3.094  -1.480
   81    HB3  ARG  10           HB1      ARG  10  -1.612   4.653  -2.036
   82    HG2  ARG  10           HG2      ARG  10  -3.355   3.951  -0.638
   83    HG3  ARG  10           HG1      ARG  10  -3.918   3.387  -2.211
   84    HD2  ARG  10           HD2      ARG  10  -2.205   1.608  -0.495
   85    HD3  ARG  10           HD1      ARG  10  -3.934   1.735  -0.179
   86    HE   ARG  10           HE       ARG  10  -4.064   1.149  -2.735
   87   HH11  ARG  10          HH11      ARG  10  -3.820  -0.860  -3.739
   88   HH12  ARG  10          HH12      ARG  10  -2.750  -2.045  -3.063
   89   HH21  ARG  10          HH21      ARG  10  -1.799  -0.052  -0.379
   90   HH22  ARG  10          HH22      ARG  10  -1.572  -1.575  -1.183
   91    HN1  NH2  11           H1       ARG  10   0.230   3.599  -5.120
   92    HN2  NH2  11           H2       ARG  10  -0.304   5.062  -5.798
  Start of MODEL    9
    1    H1   SER   1           HT1      SER   1   9.743  -0.960   4.774
    2    H2   SER   1           HT2      SER   1  10.325  -2.519   5.113
    3    H3   SER   1           HT3      SER   1  10.557  -1.269   6.229
    4    HA   SER   1           HA       SER   1   8.666  -3.023   6.549
    5    HB2  SER   1           HB2      SER   1   7.396  -0.614   7.261
    6    HB3  SER   1           HB1      SER   1   8.454  -1.589   8.280
    7    HG   SER   1           HG       SER   1   9.108   0.606   6.581
    8    H    ARG   2           HN       ARG   2   6.174  -2.685   6.423
    9    HA   ARG   2           HA       ARG   2   5.426  -2.769   3.697
   10    HB2  ARG   2           HB2      ARG   2   3.054  -2.661   4.714
   11    HB3  ARG   2           HB1      ARG   2   4.071  -4.046   5.109
   12    HG2  ARG   2           HG2      ARG   2   4.249  -3.453   7.301
   13    HG3  ARG   2           HG1      ARG   2   4.393  -1.735   6.925
   14    HD2  ARG   2           HD2      ARG   2   1.734  -2.807   6.304
   15    HD3  ARG   2           HD1      ARG   2   2.154  -2.973   8.006
   16    HE   ARG   2           HE       ARG   2   2.659  -0.340   6.854
   17   HH11  ARG   2          HH11      ARG   2   1.473   1.351   7.830
   18   HH12  ARG   2          HH12      ARG   2   0.121   0.975   8.850
   19   HH21  ARG   2          HH21      ARG   2   0.476  -2.455   8.519
   20   HH22  ARG   2          HH22      ARG   2  -0.424  -1.177   9.267
   21    H    SER   3           HN       SER   3   5.344  -0.235   6.093
   22    HA   SER   3           HA       SER   3   3.546   1.568   5.080
   23    HB2  SER   3           HB2      SER   3   6.255   2.414   6.095
   24    HB3  SER   3           HB1      SER   3   4.709   3.243   6.279
   25    HG   SER   3           HG       SER   3   4.207   1.952   7.887
   26    H    GLU   4           HN       GLU   4   6.794   0.881   3.865
   27    HA   GLU   4           HA       GLU   4   6.669   3.085   1.985
   28    HB2  GLU   4           HB2      GLU   4   8.698   0.856   2.000
   29    HB3  GLU   4           HB1      GLU   4   8.880   2.497   1.376
   30    HG2  GLU   4           HG2      GLU   4   9.896   2.838   3.403
   31    HG3  GLU   4           HG1      GLU   4   8.235   3.069   3.940
   32    H    LEU   5           HN       LEU   5   6.185  -0.390   1.945
   33    HA   LEU   5           HA       LEU   5   6.241  -0.677  -0.873
   34    HB2  LEU   5           HB2      LEU   5   4.681  -2.560   0.847
   35    HB3  LEU   5           HB1      LEU   5   5.726  -2.901  -0.530
   36    HG   LEU   5           HG       LEU   5   6.645  -1.998   2.216
   37   HD11  LEU   5          HD11      LEU   5   7.066  -4.637   0.785
   38   HD12  LEU   5          HD12      LEU   5   5.845  -4.375   2.033
   39   HD13  LEU   5          HD13      LEU   5   7.559  -4.234   2.430
   40   HD21  LEU   5          HD21      LEU   5   8.090  -1.115   0.431
   41   HD22  LEU   5          HD22      LEU   5   8.215  -2.725  -0.278
   42   HD23  LEU   5          HD23      LEU   5   8.921  -2.401   1.306
   43    H    ILE   6           HN       ILE   6   3.486  -0.457   1.407
   44    HA   ILE   6           HA       ILE   6   1.549  -0.761  -0.632
   45    HB   ILE   6           HB       ILE   6  -0.068  -0.601   0.991
   46   HG12  ILE   6          HG12      ILE   6   0.492   1.782   1.614
   47   HG13  ILE   6          HG11      ILE   6   0.035   0.770   2.980
   48   HG21  ILE   6          HG21      ILE   6   2.155  -1.079   2.931
   49   HG22  ILE   6          HG22      ILE   6   2.010  -2.155   1.546
   50   HG23  ILE   6          HG23      ILE   6   0.671  -1.993   2.678
   51   HD11  ILE   6          HD11      ILE   6   2.283   0.537   3.704
   52   HD12  ILE   6          HD12      ILE   6   2.100   2.251   3.308
   53   HD13  ILE   6          HD13      ILE   6   2.919   1.165   2.183
   54    H    VAL   7           HN       VAL   7   3.007   2.157   0.718
   55    HA   VAL   7           HA       VAL   7   1.139   4.026  -0.021
   56    HB   VAL   7           HB       VAL   7   3.160   5.556  -0.324
   57   HG11  VAL   7          HG11      VAL   7   3.804   4.891   2.223
   58   HG12  VAL   7          HG12      VAL   7   2.265   4.057   2.059
   59   HG13  VAL   7          HG13      VAL   7   2.358   5.795   1.797
   60   HG21  VAL   7          HG21      VAL   7   4.658   3.544  -0.921
   61   HG22  VAL   7          HG22      VAL   7   4.656   3.193   0.809
   62   HG23  VAL   7          HG23      VAL   7   5.312   4.720   0.222
   63    H    HIS   8           HN       HIS   8   3.345   2.310  -2.118
   64    HA   HIS   8           HA       HIS   8   2.831   4.086  -4.356
   65    HB2  HIS   8           HB2      HIS   8   4.106   1.359  -4.516
   66    HB3  HIS   8           HB1      HIS   8   4.302   2.726  -5.614
   67    HD2  HIS   8           HD2      HIS   8   5.990   1.286  -2.494
   68    HE1  HIS   8           HE1      HIS   8   7.400   5.244  -2.858
   69    HE2  HIS   8           HE2      HIS   8   7.737   3.032  -1.657
   70    H    GLN   9           HN       GLN   9   2.120   0.673  -3.618
   71    HA   GLN   9           HA       GLN   9   0.437   0.326  -5.877
   72    HB2  GLN   9           HB2      GLN   9  -0.395  -1.627  -4.152
   73    HB3  GLN   9           HB1      GLN   9   0.988  -1.765  -5.234
   74    HG2  GLN   9           HG2      GLN   9   2.531  -1.308  -3.537
   75    HG3  GLN   9           HG1      GLN   9   1.328  -0.515  -2.525
   76   HE21  GLN   9          HE21      GLN   9   3.155  -3.153  -2.380
   77   HE22  GLN   9          HE22      GLN   9   2.072  -4.259  -1.680
   78    H    ARG  10           HN       ARG  10  -0.211   1.147  -2.521
   79    HA   ARG  10           HA       ARG  10  -3.064   1.031  -2.804
   80    HB2  ARG  10           HB2      ARG  10  -1.414   1.063  -0.648
   81    HB3  ARG  10           HB1      ARG  10  -1.923   2.750  -0.676
   82    HG2  ARG  10           HG2      ARG  10  -3.626   1.816   0.593
   83    HG3  ARG  10           HG1      ARG  10  -4.329   1.685  -1.019
   84    HD2  ARG  10           HD2      ARG  10  -2.759  -0.513   0.361
   85    HD3  ARG  10           HD1      ARG  10  -4.514  -0.433   0.302
   86    HE   ARG  10           HE       ARG  10  -4.272  -0.572  -2.196
   87   HH11  ARG  10          HH11      ARG  10  -3.405  -2.041  -3.697
   88   HH12  ARG  10          HH12      ARG  10  -2.040  -3.017  -3.262
   89   HH21  ARG  10          HH21      ARG  10  -1.764  -1.710  -0.070
   90   HH22  ARG  10          HH22      ARG  10  -1.090  -2.810  -1.230
   91    HN1  NH2  11           H1       ARG  10  -0.755   3.775  -2.650
   92    HN2  NH2  11           H2       ARG  10  -1.786   4.874  -3.431
  Start of MODEL   10
    1    H1   SER   1           HT1      SER   1   9.248   0.431   7.006
    2    H2   SER   1           HT2      SER   1   7.728  -0.132   7.500
    3    H3   SER   1           HT3      SER   1   7.909   0.609   5.976
    4    HA   SER   1           HA       SER   1   9.637  -1.299   5.625
    5    HB2  SER   1           HB2      SER   1   7.813  -3.084   6.983
    6    HB3  SER   1           HB1      SER   1   9.560  -2.957   7.142
    7    HG   SER   1           HG       SER   1   9.280  -1.335   8.666
    8    H    ARG   2           HN       ARG   2   6.311  -2.326   6.358
    9    HA   ARG   2           HA       ARG   2   5.809  -2.987   3.614
   10    HB2  ARG   2           HB2      ARG   2   3.777  -2.729   5.844
   11    HB3  ARG   2           HB1      ARG   2   3.628  -3.678   4.364
   12    HG2  ARG   2           HG2      ARG   2   4.385  -5.407   5.622
   13    HG3  ARG   2           HG1      ARG   2   5.971  -4.658   5.427
   14    HD2  ARG   2           HD2      ARG   2   4.931  -3.207   7.521
   15    HD3  ARG   2           HD1      ARG   2   4.232  -4.796   7.811
   16    HE   ARG   2           HE       ARG   2   7.001  -5.067   7.243
   17   HH11  ARG   2          HH11      ARG   2   8.419  -5.458   8.967
   18   HH12  ARG   2          HH12      ARG   2   7.930  -5.096  10.588
   19   HH21  ARG   2          HH21      ARG   2   4.786  -3.939   9.662
   20   HH22  ARG   2          HH22      ARG   2   5.865  -4.227  10.986
   21    H    SER   3           HN       SER   3   5.151  -0.296   5.691
   22    HA   SER   3           HA       SER   3   3.090   1.024   4.471
   23    HB2  SER   3           HB2      SER   3   5.380   2.713   5.291
   24    HB3  SER   3           HB1      SER   3   3.678   2.803   5.750
   25    HG   SER   3           HG       SER   3   4.967   2.087   7.484
   26    H    GLU   4           HN       GLU   4   6.520   1.100   3.463
   27    HA   GLU   4           HA       GLU   4   6.200   3.110   1.510
   28    HB2  GLU   4           HB2      GLU   4   8.130   0.780   1.467
   29    HB3  GLU   4           HB1      GLU   4   8.310   2.326   0.627
   30    HG2  GLU   4           HG2      GLU   4   9.562   2.805   2.509
   31    HG3  GLU   4           HG1      GLU   4   7.973   3.279   3.107
   32    H    LEU   5           HN       LEU   5   6.346  -0.413   1.133
   33    HA   LEU   5           HA       LEU   5   5.637  -0.513  -1.573
   34    HB2  LEU   5           HB2      LEU   5   4.938  -2.603   0.492
   35    HB3  LEU   5           HB1      LEU   5   5.269  -2.843  -1.225
   36    HG   LEU   5           HG       LEU   5   7.579  -1.698  -0.620
   37   HD11  LEU   5          HD11      LEU   5   7.867  -1.287   1.563
   38   HD12  LEU   5          HD12      LEU   5   7.820  -3.020   1.861
   39   HD13  LEU   5          HD13      LEU   5   6.341  -2.071   1.961
   40   HD21  LEU   5          HD21      LEU   5   7.692  -3.869  -1.475
   41   HD22  LEU   5          HD22      LEU   5   6.685  -4.536  -0.191
   42   HD23  LEU   5          HD23      LEU   5   8.357  -4.085   0.141
   43    H    ILE   6           HN       ILE   6   3.651  -0.657   1.376
   44    HA   ILE   6           HA       ILE   6   1.172  -1.031   0.095
   45    HB   ILE   6           HB       ILE   6   1.928   0.254   2.729
   46   HG12  ILE   6          HG12      ILE   6   0.678  -2.401   1.946
   47   HG13  ILE   6          HG11      ILE   6   2.317  -2.161   2.549
   48   HG21  ILE   6          HG21      ILE   6  -0.479   0.125   3.314
   49   HG22  ILE   6          HG22      ILE   6  -0.846  -0.399   1.670
   50   HG23  ILE   6          HG23      ILE   6  -0.217   1.224   1.956
   51   HD11  ILE   6          HD11      ILE   6  -0.236  -2.244   4.023
   52   HD12  ILE   6          HD12      ILE   6   0.834  -0.926   4.500
   53   HD13  ILE   6          HD13      ILE   6   1.397  -2.597   4.585
   54    H    VAL   7           HN       VAL   7   2.889   1.944   1.083
   55    HA   VAL   7           HA       VAL   7   0.918   3.729   0.104
   56    HB   VAL   7           HB       VAL   7   3.889   4.096   0.574
   57   HG11  VAL   7          HG11      VAL   7   3.167   5.758  -1.058
   58   HG12  VAL   7          HG12      VAL   7   3.353   6.543   0.512
   59   HG13  VAL   7          HG13      VAL   7   1.745   6.135  -0.086
   60   HG21  VAL   7          HG21      VAL   7   1.779   5.430   2.199
   61   HG22  VAL   7          HG22      VAL   7   3.337   4.780   2.702
   62   HG23  VAL   7          HG23      VAL   7   1.975   3.693   2.432
   63    H    HIS   8           HN       HIS   8   3.706   2.175  -1.321
   64    HA   HIS   8           HA       HIS   8   3.727   3.581  -3.775
   65    HB2  HIS   8           HB2      HIS   8   5.675   2.383  -3.546
   66    HB3  HIS   8           HB1      HIS   8   4.874   1.024  -2.763
   67    HD2  HIS   8           HD2      HIS   8   4.253   2.434  -6.449
   68    HE1  HIS   8           HE1      HIS   8   5.112  -1.696  -6.648
   69    HE2  HIS   8           HE2      HIS   8   4.487   0.352  -8.016
   70    H    GLN   9           HN       GLN   9   2.153   0.564  -2.757
   71    HA   GLN   9           HA       GLN   9   0.905   0.103  -5.299
   72    HB2  GLN   9           HB2      GLN   9   0.283  -1.036  -2.563
   73    HB3  GLN   9           HB1      GLN   9  -0.344  -1.651  -4.093
   74    HG2  GLN   9           HG2      GLN   9   2.538  -1.379  -4.232
   75    HG3  GLN   9           HG1      GLN   9   2.086  -2.361  -2.842
   76   HE21  GLN   9          HE21      GLN   9   2.095  -4.539  -3.441
   77   HE22  GLN   9          HE22      GLN   9   1.540  -5.138  -4.929
   78    H    ARG  10           HN       ARG  10  -0.036   1.514  -2.243
   79    HA   ARG  10           HA       ARG  10  -2.778   1.905  -2.908
   80    HB2  ARG  10           HB2      ARG  10  -0.932   3.076  -0.833
   81    HB3  ARG  10           HB1      ARG  10  -2.622   3.547  -0.964
   82    HG2  ARG  10           HG2      ARG  10  -1.801   0.647  -0.759
   83    HG3  ARG  10           HG1      ARG  10  -2.063   1.640   0.677
   84    HD2  ARG  10           HD2      ARG  10  -4.089   1.146  -1.520
   85    HD3  ARG  10           HD1      ARG  10  -4.107   0.408   0.076
   86    HE   ARG  10           HE       ARG  10  -4.078   3.273   0.252
   87   HH11  ARG  10          HH11      ARG  10  -6.017   4.269   0.924
   88   HH12  ARG  10          HH12      ARG  10  -7.507   3.387   0.861
   89   HH21  ARG  10          HH21      ARG  10  -6.060   0.491  -0.390
   90   HH22  ARG  10          HH22      ARG  10  -7.535   1.259   0.091
   91    HN1  NH2  11           H1       ARG  10   0.049   4.135  -2.949
   92    HN2  NH2  11           H2       ARG  10  -0.697   5.284  -3.955