*HEADER    BIOSYNTHETIC PROTEIN                    16-APR-19   6OLD              
*TITLE     CSP1-CYC(DAP6E10)                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: COMPETENCE-STIMULATING PEPTIDE TYPE 1;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CSP-1;                                                      
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES;                                                       
*COMPND   7 OTHER_DETAILS: DPP AND GLU WERE CHEMICALLY ADDED TO THE 6TH AND 10TH 
*COMPND   8 POSITIONS CHEMICALLY AND THEN CYCLIZED. HOWEVER, DURING STRUCTURE    
*COMPND   9 CALCULATION, GLU10 WAS LABELED AS GLN10 TO CONSTRUCT THE MACROCYCLE  
*COMPND  10 FOR CONVENIENCE. GLN10 WAS KEPT IN THE FINAL COORDINATE FILE AND     
*COMPND  11 CHEMICAL SHIFT FILE FOR CONSISTENCY. THE ACTUAL SEQUENCE IS STILL:   
*COMPND  12 EMRLS(DPP)FFR(GLU)FILQRKK                                            
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE;                       
*SOURCE   4 ORGANISM_TAXID: 1313                                                 
*KEYWDS    MODULATOR FOR QUORUM SENSING IN STREPTOCOCCUS PNEUMONIAE,             
*KEYWDS   2 BIOSYNTHETIC PROTEIN                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.YANG                                                                
*REVDAT   1   08-JAN-20 6OLD    0                                                
# Restraints file 1: CSP1CYCDap6E10_chi1.tbl
!F11
assign ( resid 11 and name n)  ( resid 11 and name ca)
       ( resid 11 and name cb) ( resid 11 and name cg)
 1.0 -180.0 20.0 2


# Restraints file 2: CSP1CYCDap6E10_phi_psi_dih.tbl
! Phi/Psi Angles From 'Strong' TALOS-N Predictions: 
!    error margins are set to conservative default values of double the 
!    standard deviation observed in TALOS-N capped at a minimum of +/-20 degree.
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0  -69.8   20.0 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  -34.5   20.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -68.1   20.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -39.9   20.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -68.2   20.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -34.5   20.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -71.4   20.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -16.8   20.0 2

! Phi/Psi Angles From 'Generous' TALOS-N Predictions: 
!    error margins are set to default values of triple the standard
!    deviation observed in TALOS-N capped at a minimum of +/-20 degree.

# Restraints file 3: CSP1CYCDap6E10_NOE.tbl
assign (resid   2 and name HA  ) (resid   2 and name HB#  )  2.6  0.9  0.9
assign (resid   2 and name HA  ) (resid   2 and (name HG1 or name HG2  )) 3.2  1.1  1.1
assign (resid   2 and name HA  ) (resid   2 and (name HG2 or name HG1  )) 3.0  1.0  1.0
assign (resid   2 and name HA  ) (resid   3 and name HN  )  2.7  0.9  0.9
assign (resid   2 and name HB#  ) (resid   3 and name HA  )  2.5  0.9  0.9
assign (resid   2 and name HB#  ) (resid   3 and name HN  )  3.0  1.0  1.0
assign (resid   2 and (name HG1 or name HG2  )) (resid   3 and name HN  )  3.6  1.3  1.3
assign (resid   2 and (name HG2 or name HG1  )) (resid   3 and name HN  )  3.5  1.2  1.2
assign (resid   2 and name HB#  ) (resid   4 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid   2 and name HB#  ) (resid   4 and (name HD2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   2 and name HB#  ) (resid   4 and name HN  )  3.4  1.2  1.2
assign (resid   3 and name HA  ) (resid   3 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and (name HB2 or name HB1  )) 2.7  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and (name HG1 or name HG2  )) 2.6  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and (name HG2 or name HG1  )) 3.0  1.0  1.0
assign (resid   3 and name HA  ) (resid   3 and name HN  )  3.0  1.0  1.0
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and name HN  )  3.0  1.0  1.0
assign (resid   3 and (name HB2 or name HB1  )) (resid   3 and name HN  )  2.9  1.0  1.0
assign (resid   3 and (name HD1 or name HD2  )) (resid   3 and (name HG2 or name HG1  )) 2.4  0.8  0.8
assign (resid   3 and (name HG1 or name HG2  )) (resid   3 and name HN  )  3.0  1.0  1.0
assign (resid   3 and (name HG2 or name HG1  )) (resid   3 and name HN  )  3.2  1.1  1.1
assign (resid   3 and name HA  ) (resid   4 and (name HD1# or name HD2#  )) 3.9  1.4  1.4
assign (resid   3 and name HA  ) (resid   4 and (name HD2# or name HD1#  )) 3.8  1.3  1.3
assign (resid   3 and name HA  ) (resid   4 and name HN  )  2.5  0.9  0.9
assign (resid   3 and (name HB1 or name HB2  )) (resid   4 and (name HD1# or name HD2#  )) 3.4  1.2  1.2
assign (resid   3 and (name HB1 or name HB2  )) (resid   4 and name HN  )  3.0  1.0  1.0
assign (resid   3 and (name HB2 or name HB1  )) (resid   4 and (name HD2# or name HD1#  )) 3.0  1.0  1.0
assign (resid   3 and (name HB2 or name HB1  )) (resid   4 and name HN  )  3.0  1.0  1.0
assign (resid   3 and (name HD1 or name HD2  )) (resid   4 and (name HD1# or name HD2#  )) 2.6  0.9  0.9
assign (resid   3 and (name HD1 or name HD2  )) (resid   4 and (name HD2# or name HD1#  )) 3.1  1.1  1.1
assign (resid   3 and (name HG2 or name HG1  )) (resid   4 and name HN  )  3.0  1.0  1.0
assign (resid   3 and name HN  ) (resid   4 and name HN  )  3.2  1.1  1.1
assign (resid   4 and name HA  ) (resid   4 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid   4 and name HA  ) (resid   4 and (name HD1# or name HD2#  )) 2.7  0.9  0.9
assign (resid   4 and name HA  ) (resid   4 and (name HD2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   4 and name HA  ) (resid   4 and name HN  )  2.8  1.0  1.0
assign (resid   4 and (name HB1 or name HB2  )) (resid   4 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid   4 and (name HB1 or name HB2  )) (resid   4 and name HN  )  2.5  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   4 and name HG  )  2.3  0.8  0.8
assign (resid   4 and (name HD1# or name HD2#  )) (resid   4 and name HN  )  3.0  1.1  1.1
assign (resid   4 and (name HD2# or name HD1#  )) (resid   4 and name HG  )  2.3  0.8  0.8
assign (resid   4 and (name HD2# or name HD1#  )) (resid   4 and name HN  )  3.1  1.1  1.1
assign (resid   4 and name HG  ) (resid   4 and name HN  )  2.5  0.9  0.9
assign (resid   4 and (name HB1 or name HB2  )) (resid   5 and name HN  )  3.0  1.0  1.0
assign (resid   4 and (name HB2 or name HB1  )) (resid   5 and name HN  )  2.5  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   5 and name HN  )  3.5  1.2  1.2
assign (resid   4 and (name HD2# or name HD1#  )) (resid   5 and (name HB2 or name HB1  )) 2.7  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   5 and name HN  )  3.4  1.2  1.2
assign (resid   4 and name HA  ) (resid   7 and (name HB1 or name HB2  )) 3.4  1.2  1.2
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and (name HB1 or name HB2  )) 3.2  1.1  1.1
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and name HD#  )  3.4  1.2  1.2
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and name HE#  )  3.5  1.2  1.2
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and (name HB1 or name HB2  )) 2.9  1.0  1.0
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and name HD#  )  3.5  1.2  1.2
assign (resid   4 and (name HD1# or name HD2#  )) (resid   8 and name HD#  )  3.5  1.2  1.2
assign (resid   4 and (name HD1# or name HD2#  )) (resid   8 and name HE#  )  4.9  1.7  1.7
assign (resid   4 and (name HD1# or name HD2#  )) (resid   8 and name HZ  )  3.0  1.0  1.0
assign (resid   4 and (name HD2# or name HD1#  )) (resid   8 and name HD#  )  3.6  1.3  1.3
assign (resid   4 and (name HD2# or name HD1#  )) (resid   8 and name HE#  )  2.9  1.0  1.0
assign (resid   5 and name HA  ) (resid   5 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid   5 and name HA  ) (resid   5 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid   5 and name HA  ) (resid   5 and name HN  )  2.6  0.9  0.9
assign (resid   5 and (name HB1 or name HB2  )) (resid   5 and name HN  )  3.1  1.1  1.1
assign (resid   5 and (name HB2 or name HB1  )) (resid   5 and name HN  )  3.1  1.1  1.1
assign (resid   5 and name HA  ) (resid   8 and name HE#  )  3.4  1.2  1.2
assign (resid   7 and name HA  ) (resid   7 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid   7 and name HA  ) (resid   7 and (name HB2 or name HB1  )) 3.0  1.0  1.0
assign (resid   7 and name HA  ) (resid   7 and name HD#  )  3.3  1.2  1.2
assign (resid   7 and name HA  ) (resid   7 and name HE#  )  3.4  1.2  1.2
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and name HD#  )  2.7  0.9  0.9
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and name HN  )  3.0  1.0  1.0
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and name HD#  )  2.8  1.0  1.0
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and name HN  )  2.9  1.0  1.0
assign (resid   7 and (name HB1 or name HB2  )) (resid   8 and name HD#  )  3.2  1.1  1.1
assign (resid   7 and (name HB1 or name HB2  )) (resid   8 and name HE#  )  3.1  1.1  1.1
assign (resid   7 and (name HB1 or name HB2  )) (resid   8 and name HN  )  3.0  1.0  1.0
assign (resid   7 and (name HB2 or name HB1  )) (resid   8 and name HA  )  3.4  1.2  1.2
assign (resid   7 and (name HB2 or name HB1  )) (resid   8 and name HD#  )  3.5  1.2  1.2
assign (resid   7 and (name HB2 or name HB1  )) (resid   8 and name HE#  )  3.3  1.2  1.2
assign (resid   7 and (name HB2 or name HB1  )) (resid   8 and name HN  )  2.9  1.0  1.0
assign (resid   7 and name HD#  ) (resid   8 and name HA  )  3.2  1.1  1.1
assign (resid   7 and name HD#  ) (resid   8 and name HD#  )  2.7  0.9  0.9
assign (resid   7 and name HD#  ) (resid   8 and name HE#  )  3.6  1.3  1.3
assign (resid   7 and name HD#  ) (resid   8 and name HZ  )  3.0  1.0  3.1
assign (resid   7 and name HN  ) (resid   8 and name HA  )  2.9  1.0  2.5
assign (resid   7 and name HD#  ) (resid   9 and name HD#  )  2.7  0.9  2.2
assign (resid   7 and name HA  ) (resid  11 and name HD#  )  3.1  1.1  1.1
assign (resid   7 and name HD#  ) (resid  11 and name HD#  )  3.2  1.1  1.1
assign (resid   7 and name HE#  ) (resid  11 and name HA  )  3.3  1.2  1.2
assign (resid   7 and name HE#  ) (resid  11 and (name HB1 or name HB2  )) 3.1  1.1  1.1
assign (resid   7 and name HE#  ) (resid  11 and (name HB2 or name HB1  )) 3.3  1.2  1.2
assign (resid   7 and name HE#  ) (resid  11 and name HN  )  3.4  1.2  1.2
assign (resid   7 and name HD#  ) (resid  12 and name HD#  )  3.7  1.3  1.3
assign (resid   7 and name HE#  ) (resid  12 and name HD#  )  2.9  1.0  1.4
assign (resid   7 and name HE#  ) (resid  12 and (name HG2# or name HD1#  )) 2.7  0.9  0.9
assign (resid   7 and name HE#  ) (resid  13 and (name HD1# or name HD2#  )) 3.0  1.0  2.6
assign (resid   7 and name HE#  ) (resid  15 and name HD#  )  3.5  1.2  1.2
assign (resid   7 and name HE#  ) (resid  15 and name HG#  )  3.1  1.1  1.1
assign (resid   8 and name HA  ) (resid   8 and name HB#  )  2.5  0.9  0.9
assign (resid   8 and name HA  ) (resid   8 and name HE#  )  2.6  0.9  2.4
assign (resid   8 and name HA  ) (resid   8 and name HN  )  2.9  1.0  1.0
assign (resid   8 and name HB#  ) (resid   8 and name HE#  )  2.5  0.9  0.9
assign (resid   8 and name HB#  ) (resid   8 and name HN  )  2.6  0.9  0.9
assign (resid   8 and name HE#  ) (resid   8 and name HN  )  3.0  1.0  1.0
assign (resid   8 and name HA  ) (resid   9 and name HA  )  3.2  1.1  1.1
assign (resid   8 and name HA  ) (resid   9 and name HN  )  3.1  1.1  1.1
assign (resid   8 and name HB#  ) (resid   9 and name HN  )  2.5  0.9  0.9
assign (resid   8 and name HE#  ) (resid   9 and name HA  )  3.3  1.2  1.2
assign (resid   8 and name HE#  ) (resid   9 and (name HB1 or name HB2  )) 3.2  1.1  1.1
assign (resid   8 and name HE#  ) (resid   9 and (name HB2 or name HB1  )) 2.9  1.0  1.0
assign (resid   8 and name HE#  ) (resid   9 and name HG#  )  3.0  1.0  1.0
assign (resid   8 and name HN  ) (resid   9 and name HN  )  2.7  0.9  0.9
assign (resid   8 and name HA  ) (resid  11 and (name HB1 or name HB2  )) 2.9  1.0  1.0
assign (resid   8 and name HA  ) (resid  11 and (name HB2 or name HB1  )) 3.2  1.1  1.1
assign (resid   8 and name HA  ) (resid  11 and name HD#  )  3.2  1.1  1.1
assign (resid   8 and name HA  ) (resid  11 and name HN  )  3.3  1.2  1.2
assign (resid   8 and name HA  ) (resid  12 and name HA  )  3.3  1.2  1.2
assign (resid   8 and name HA  ) (resid  12 and name HB  )  2.9  1.0  1.4
assign (resid   8 and name HA  ) (resid  12 and name HD#  )  2.6  0.9  0.9
assign (resid   8 and name HA  ) (resid  12 and (name HG11 or name HG12  )) 2.7  0.9  0.9
assign (resid   8 and name HA  ) (resid  12 and (name HG12 or name HG11  )) 3.1  1.1  1.1
assign (resid   8 and name HA  ) (resid  12 and (name HG2# or name HD1#  )) 3.0  1.1  1.1
assign (resid   8 and name HA  ) (resid  12 and name HN  )  3.4  1.2  1.2
assign (resid   8 and name HB#  ) (resid  12 and name HD#  )  3.5  1.2  1.2
assign (resid   8 and name HD#  ) (resid  12 and name HD#  )  3.1  1.1  1.1
assign (resid   8 and name HE#  ) (resid  12 and name HB  )  3.1  1.1  2.4
assign (resid   8 and name HE#  ) (resid  12 and name HD#  )  3.1  1.1  1.1
assign (resid   8 and name HE#  ) (resid  12 and (name HG11 or name HG12  )) 3.1  1.1  1.1
assign (resid   8 and name HE#  ) (resid  12 and (name HG12 or name HG11  )) 3.4  1.2  1.2
assign (resid   8 and name HE#  ) (resid  12 and (name HG2# or name HD1#  )) 2.8  1.0  1.0
assign (resid   8 and name HZ  ) (resid  12 and name HD#  )  3.7  1.3  1.3
assign (resid   8 and name HZ  ) (resid  12 and (name HG2# or name HD1#  )) 3.1  1.1  1.1
assign (resid   8 and name HA  ) (resid  13 and (name HB2 or name HB1  )) 3.1  1.1  1.1
assign (resid   8 and name HB#  ) (resid  13 and (name HD1# or name HD2#  )) 2.8  1.0  1.0
assign (resid   8 and name HE#  ) (resid  13 and (name HD1# or name HD2#  )) 3.1  1.1  1.1
assign (resid   8 and name HZ  ) (resid  13 and (name HD1# or name HD2#  )) 3.4  1.2  1.2
assign (resid   9 and name HA  ) (resid   9 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and (name HB2 or name HB1  )) 2.8  1.0  1.0
assign (resid   9 and name HA  ) (resid   9 and name HD#  )  2.7  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and name HG#  )  2.6  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and name HN  )  3.0  1.1  1.1
assign (resid   9 and (name HB1 or name HB2  )) (resid   9 and name HD#  )  2.4  0.8  0.8
assign (resid   9 and (name HB1 or name HB2  )) (resid   9 and name HN  )  2.6  0.9  0.9
assign (resid   9 and (name HB2 or name HB1  )) (resid   9 and name HD#  )  2.4  0.8  0.8
assign (resid   9 and (name HB2 or name HB1  )) (resid   9 and name HN  )  2.9  1.0  1.0
assign (resid   9 and name HD#  ) (resid   9 and name HE  )  2.9  1.0  1.0
assign (resid   9 and name HG#  ) (resid   9 and name HN  )  3.0  1.0  1.0
assign (resid   9 and name HA  ) (resid  11 and name HN  )  3.2  1.1  1.1
assign (resid   9 and name HA  ) (resid  12 and name HB  )  3.1  1.1  1.5
assign (resid   9 and name HA  ) (resid  12 and name HD#  )  3.1  1.1  1.1
assign (resid   9 and name HA  ) (resid  12 and (name HG11 or name HG12  )) 3.4  1.2  1.2
assign (resid   9 and name HA  ) (resid  12 and (name HG12 or name HG11  )) 3.5  1.2  1.2
assign (resid   9 and name HA  ) (resid  12 and (name HG2# or name HD1#  )) 3.0  1.0  1.0
assign (resid   9 and name HA  ) (resid  12 and name HN  )  3.5  1.2  1.2
assign (resid   9 and (name HB1 or name HB2  )) (resid  12 and name HD#  )  3.3  1.2  1.2
assign (resid   9 and (name HB2 or name HB1  )) (resid  12 and name HD#  )  2.9  1.0  1.0
assign (resid   9 and name HA  ) (resid  13 and name HA  )  3.2  1.1  1.5
assign (resid   9 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 2.9  1.0  1.0
assign (resid   9 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 2.9  1.0  1.0
assign (resid   9 and name HA  ) (resid  13 and name HN  )  3.2  1.1  1.1
assign (resid   9 and (name HB1 or name HB2  )) (resid  13 and (name HD1# or name HD2#  )) 2.7  0.9  0.9
assign (resid   9 and (name HB2 or name HB1  )) (resid  13 and (name HD2# or name HD1#  )) 2.4  0.8  0.8
assign (resid   9 and name HD#  ) (resid  13 and (name HD1# or name HD2#  )) 2.8  1.0  1.0
assign (resid   9 and name HD#  ) (resid  13 and (name HD2# or name HD1#  )) 3.0  1.0  1.0
assign (resid  10 and name HA  ) (resid  10 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid  10 and name HA  ) (resid  10 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid  10 and name HA  ) (resid  10 and (name HG1 or name HG2  )) 2.7  0.9  0.9
assign (resid  10 and name HA  ) (resid  10 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid  10 and name HA  ) (resid  10 and name HN  )  3.0  1.0  1.0
assign (resid  10 and (name HB1 or name HB2  )) (resid  10 and (name HG1 or name HG2  )) 2.7  0.9  0.9
assign (resid  10 and (name HB1 or name HB2  )) (resid  10 and (name HG2 or name HG1  )) 2.8  1.0  1.0
assign (resid  10 and (name HB1 or name HB2  )) (resid  10 and name HN  )  2.9  1.0  1.0
assign (resid  10 and (name HB2 or name HB1  )) (resid  10 and (name HG1 or name HG2  )) 2.7  0.9  0.9
assign (resid  10 and (name HB2 or name HB1  )) (resid  10 and (name HG2 or name HG1  )) 2.8  1.0  1.0
assign (resid  10 and (name HB2 or name HB1  )) (resid  10 and name HN  )  3.0  1.0  1.0
assign (resid  10 and (name HG1 or name HG2  )) (resid  10 and name HN  )  2.7  0.9  0.9
assign (resid  10 and (name HG2 or name HG1  )) (resid  10 and name HN  )  2.8  1.0  1.0
assign (resid  10 and name HA  ) (resid  11 and name HA  )  3.1  1.1  1.1
assign (resid  10 and name HA  ) (resid  11 and name HN  )  3.0  1.0  1.0
assign (resid  10 and (name HB1 or name HB2  )) (resid  11 and name HN  )  2.8  1.0  1.0
assign (resid  10 and (name HB2 or name HB1  )) (resid  11 and name HN  )  3.0  1.0  1.0
assign (resid  10 and (name HG1 or name HG2  )) (resid  11 and name HN  )  3.2  1.1  1.1
assign (resid  10 and (name HG2 or name HG1  )) (resid  11 and name HN  )  2.8  1.0  1.0
assign (resid  10 and name HA  ) (resid  12 and (name HG2# or name HD1#  )) 2.9  1.0  1.2
assign (resid  10 and name HA  ) (resid  12 and name HN  )  3.3  1.2  1.2
assign (resid  10 and (name HB1 or name HB2  )) (resid  12 and (name HG11 or name HG12  )) 3.0  1.0  2.9
assign (resid  10 and name HA  ) (resid  13 and name HA  )  3.3  1.2  1.2
assign (resid  10 and name HA  ) (resid  13 and (name HB2 or name HB1  )) 3.0  1.0  1.0
assign (resid  10 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 3.3  1.2  1.2
assign (resid  10 and name HA  ) (resid  13 and name HN  )  3.4  1.2  1.2
assign (resid  10 and (name HB1 or name HB2  )) (resid  13 and (name HD2# or name HD1#  )) 2.8  1.0  1.5
assign (resid  10 and name HA  ) (resid  14 and (name HB2 or name HB1  )) 3.1  1.1  1.1
assign (resid  11 and name HA  ) (resid  11 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid  11 and name HA  ) (resid  11 and (name HB2 or name HB1  )) 2.8  1.0  1.0
assign (resid  11 and name HA  ) (resid  11 and name HD#  )  2.8  1.0  1.0
assign (resid  11 and name HA  ) (resid  11 and name HE#  )  3.2  1.1  1.3
assign (resid  11 and name HA  ) (resid  11 and name HN  )  2.9  1.0  1.0
assign (resid  11 and (name HB1 or name HB2  )) (resid  11 and name HD#  )  2.7  0.9  0.9
assign (resid  11 and (name HB1 or name HB2  )) (resid  11 and name HE#  )  3.2  1.1  1.1
assign (resid  11 and (name HB1 or name HB2  )) (resid  11 and name HN  )  2.8  1.0  1.0
assign (resid  11 and (name HB2 or name HB1  )) (resid  11 and name HD#  )  2.9  1.0  1.0
assign (resid  11 and (name HB2 or name HB1  )) (resid  11 and name HN  )  2.9  1.0  1.0
assign (resid  11 and name HD#  ) (resid  11 and name HN  )  3.0  1.1  1.1
assign (resid  11 and name HA  ) (resid  12 and name HA  )  3.0  1.0  1.2
assign (resid  11 and name HA  ) (resid  12 and name HD#  )  3.7  1.3  1.3
assign (resid  11 and name HA  ) (resid  12 and (name HG2# or name HD1#  )) 3.5  1.2  1.2
assign (resid  11 and name HA  ) (resid  12 and name HN  )  3.0  1.0  1.0
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and name HA  )  3.5  1.2  1.2
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and name HD#  )  3.4  1.2  1.2
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and (name HG11 or name HG12  )) 3.4  1.2  1.2
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and (name HG12 or name HG11  )) 3.3  1.2  1.2
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and (name HG2# or name HD1#  )) 3.5  1.2  1.2
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and name HN  )  2.9  1.0  1.0
assign (resid  11 and (name HB2 or name HB1  )) (resid  12 and name HD#  )  3.4  1.2  1.2
assign (resid  11 and (name HB2 or name HB1  )) (resid  12 and name HN  )  3.0  1.0  1.0
assign (resid  11 and name HD#  ) (resid  12 and name HA  )  3.4  1.2  1.9
assign (resid  11 and name HD#  ) (resid  12 and name HD#  )  3.1  1.1  1.1
assign (resid  11 and name HD#  ) (resid  12 and (name HG11 or name HG12  )) 3.4  1.2  1.2
assign (resid  11 and name HD#  ) (resid  12 and (name HG12 or name HG11  )) 3.0  1.0  1.0
assign (resid  11 and name HD#  ) (resid  12 and (name HG2# or name HD1#  )) 3.0  1.1  1.1
assign (resid  11 and name HD#  ) (resid  12 and name HN  )  3.2  1.1  1.1
assign (resid  11 and name HN  ) (resid  12 and name HA  )  3.4  1.2  1.2
assign (resid  11 and name HN  ) (resid  12 and name HB  )  3.2  1.1  1.6
assign (resid  11 and name HN  ) (resid  12 and name HD#  )  3.5  1.2  1.2
assign (resid  11 and name HN  ) (resid  12 and (name HG11 or name HG12  )) 3.1  1.1  1.1
assign (resid  11 and name HN  ) (resid  12 and (name HG12 or name HG11  )) 3.3  1.2  1.2
assign (resid  11 and name HN  ) (resid  12 and (name HG2# or name HD1#  )) 3.3  1.2  1.2
assign (resid  11 and name HN  ) (resid  12 and name HN  )  2.8  1.0  1.0
assign (resid  11 and name HD#  ) (resid  13 and (name HB2 or name HB1  )) 3.6  1.3  1.4
assign (resid  11 and name HD#  ) (resid  13 and (name HD1# or name HD2#  )) 3.1  1.1  1.7
assign (resid  11 and name HN  ) (resid  13 and name HN  )  3.5  1.2  1.2
assign (resid  12 and name HA  ) (resid  12 and name HB  )  2.7  0.9  0.9
assign (resid  12 and name HA  ) (resid  12 and name HD#  )  2.6  0.9  0.9
assign (resid  12 and name HA  ) (resid  12 and (name HG11 or name HG12  )) 2.8  1.0  1.0
assign (resid  12 and name HA  ) (resid  12 and (name HG12 or name HG11  )) 2.7  0.9  0.9
assign (resid  12 and name HA  ) (resid  12 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid  12 and name HA  ) (resid  12 and name HN  )  2.8  1.0  1.0
assign (resid  12 and name HB  ) (resid  12 and name HD#  )  2.6  0.9  0.9
assign (resid  12 and name HB  ) (resid  12 and (name HG11 or name HG12  )) 2.6  0.9  0.9
assign (resid  12 and name HB  ) (resid  12 and (name HG12 or name HG11  )) 2.5  0.9  0.9
assign (resid  12 and name HB  ) (resid  12 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid  12 and name HB  ) (resid  12 and name HN  )  2.7  0.9  0.9
assign (resid  12 and name HD#  ) (resid  12 and (name HG11 or name HG12  )) 2.5  0.9  0.9
assign (resid  12 and name HD#  ) (resid  12 and name HN  )  3.0  1.0  1.0
assign (resid  12 and (name HG11 or name HG12  )) (resid  12 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid  12 and (name HG11 or name HG12  )) (resid  12 and name HN  )  2.8  1.0  1.0
assign (resid  12 and (name HG12 or name HG11  )) (resid  12 and (name HG2# or name HD1#  )) 2.7  0.9  0.9
assign (resid  12 and (name HG12 or name HG11  )) (resid  12 and name HN  )  2.8  1.0  1.0
assign (resid  12 and (name HG2# or name HD1#  )) (resid  12 and name HN  )  2.9  1.0  1.0
assign (resid  12 and name HA  ) (resid  13 and name HA  )  3.0  1.1  1.3
assign (resid  12 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 2.9  1.0  1.5
assign (resid  12 and name HA  ) (resid  13 and (name HB2 or name HB1  )) 2.9  1.0  1.5
assign (resid  12 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 3.3  1.2  1.2
assign (resid  12 and name HA  ) (resid  13 and name HN  )  2.8  1.0  1.0
assign (resid  12 and name HB  ) (resid  13 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid  12 and name HB  ) (resid  13 and (name HD1# or name HD2#  )) 3.0  1.0  1.0
assign (resid  12 and name HB  ) (resid  13 and name HN  )  2.7  0.9  0.9
assign (resid  12 and name HD#  ) (resid  13 and name HA  )  3.5  1.2  1.2
assign (resid  12 and name HD#  ) (resid  13 and (name HB2 or name HB1  )) 2.8  1.0  1.0
assign (resid  12 and name HD#  ) (resid  13 and name HN  )  3.2  1.1  1.1
assign (resid  12 and (name HG11 or name HG12  )) (resid  13 and name HA  )  3.5  1.2  1.2
assign (resid  12 and (name HG11 or name HG12  )) (resid  13 and (name HD1# or name HD2#  )) 2.8  1.0  1.0
assign (resid  12 and (name HG11 or name HG12  )) (resid  13 and name HN  )  3.2  1.1  1.1
assign (resid  12 and (name HG12 or name HG11  )) (resid  13 and name HN  )  3.2  1.1  1.1
assign (resid  12 and (name HG2# or name HD1#  )) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  12 and name HN  ) (resid  13 and name HA  )  3.4  1.2  1.2
assign (resid  12 and name HN  ) (resid  13 and (name HB1 or name HB2  )) 3.1  1.1  1.1
assign (resid  12 and name HN  ) (resid  13 and (name HB2 or name HB1  )) 3.1  1.1  1.1
assign (resid  12 and name HN  ) (resid  13 and name HN  )  2.8  1.0  1.0
assign (resid  12 and name HA  ) (resid  14 and name HN  )  3.4  1.2  1.2
assign (resid  12 and name HD#  ) (resid  14 and name HA  )  3.7  1.3  2.4
assign (resid  12 and name HA  ) (resid  15 and name HD#  )  3.2  1.1  1.1
assign (resid  12 and name HD#  ) (resid  15 and (name HB2 or name HB1  )) 3.6  1.3  1.3
assign (resid  12 and name HD#  ) (resid  15 and name HD#  )  3.8  1.3  1.3
assign (resid  12 and (name HG2# or name HD1#  )) (resid  15 and (name HB1 or name HB2  )) 3.0  1.0  1.0
assign (resid  12 and (name HG2# or name HD1#  )) (resid  15 and name HD#  )  3.4  1.2  1.2
assign (resid  13 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  13 and name HA  ) (resid  13 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  13 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 2.7  0.9  0.9
assign (resid  13 and name HA  ) (resid  13 and (name HD2# or name HD1#  )) 2.5  0.9  0.9
assign (resid  13 and name HA  ) (resid  13 and name HN  )  2.7  0.9  0.9
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and (name HD1# or name HD2#  )) 2.3  0.8  0.8
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and (name HD2# or name HD1#  )) 2.6  0.9  0.9
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and name HN  )  2.7  0.9  0.9
assign (resid  13 and (name HB2 or name HB1  )) (resid  13 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid  13 and (name HB2 or name HB1  )) (resid  13 and (name HD2# or name HD1#  )) 2.4  0.8  0.8
assign (resid  13 and (name HB2 or name HB1  )) (resid  13 and name HN  )  2.5  0.9  0.9
assign (resid  13 and (name HD1# or name HD2#  )) (resid  13 and name HN  )  3.0  1.0  1.0
assign (resid  13 and (name HB1 or name HB2  )) (resid  14 and name HG#  )  3.0  1.0  1.0
assign (resid  13 and (name HB1 or name HB2  )) (resid  14 and name HN  )  2.9  1.0  1.0
assign (resid  13 and (name HB2 or name HB1  )) (resid  14 and name HG#  )  3.0  1.0  1.0
assign (resid  13 and (name HB2 or name HB1  )) (resid  14 and name HN  )  2.9  1.0  1.0
assign (resid  13 and (name HD1# or name HD2#  )) (resid  14 and name HG#  )  3.2  1.1  1.1
assign (resid  13 and (name HD1# or name HD2#  )) (resid  14 and name HN  )  3.2  1.1  1.1
assign (resid  13 and (name HD2# or name HD1#  )) (resid  14 and name HG#  )  3.5  1.2  1.2
assign (resid  13 and (name HD2# or name HD1#  )) (resid  14 and name HN  )  3.0  1.0  1.0
assign (resid  13 and name HN  ) (resid  14 and name HN  )  2.8  1.0  1.0
assign (resid  13 and (name HD1# or name HD2#  )) (resid  15 and (name HB1 or name HB2  )) 3.1  1.1  1.1
assign (resid  13 and (name HD1# or name HD2#  )) (resid  15 and name HD#  )  3.6  1.3  1.3
assign (resid  14 and name HA  ) (resid  14 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  14 and name HA  ) (resid  14 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  14 and name HA  ) (resid  14 and name HG#  )  2.6  0.9  0.9
assign (resid  14 and name HA  ) (resid  14 and name HN  )  2.5  0.9  0.9
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and name HN  )  2.8  1.0  1.0
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and name HG#  )  2.6  0.9  0.9
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and name HN  )  2.7  0.9  0.9
assign (resid  14 and name HG#  ) (resid  14 and name HN  )  2.8  1.0  1.0
assign (resid  14 and name HA  ) (resid  15 and (name HB1 or name HB2  )) 2.9  1.0  1.2
assign (resid  14 and name HA  ) (resid  15 and name HN  )  2.8  1.0  1.0
assign (resid  14 and (name HB1 or name HB2  )) (resid  15 and name HA  )  3.1  1.1  1.1
assign (resid  14 and (name HB1 or name HB2  )) (resid  15 and name HN  )  3.0  1.1  1.1
assign (resid  14 and (name HB2 or name HB1  )) (resid  15 and name HA  )  3.4  1.2  1.2
assign (resid  14 and (name HB2 or name HB1  )) (resid  15 and name HN  )  3.0  1.1  1.1
assign (resid  14 and name HG#  ) (resid  15 and name HN  )  3.2  1.1  1.1
assign (resid  14 and name HN  ) (resid  15 and (name HB2 or name HB1  )) 2.9  1.0  1.0
assign (resid  14 and name HN  ) (resid  15 and name HG#  )  2.8  1.0  1.0
assign (resid  14 and name HN  ) (resid  15 and name HN  )  3.0  1.0  1.0
assign (resid  14 and name HA  ) (resid  16 and name HN  )  3.4  1.2  1.2
assign (resid  15 and name HA  ) (resid  15 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and name HD#  )  2.8  1.0  1.0
assign (resid  15 and name HA  ) (resid  15 and name HG#  )  2.6  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and name HN  )  2.5  0.9  0.9
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and name HD#  )  2.7  0.9  0.9
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and name HN  )  2.8  1.0  1.0
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HD#  )  2.7  0.9  0.9
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HN  )  2.7  0.9  0.9
assign (resid  15 and name HD#  ) (resid  15 and name HE  )  3.3  1.2  1.2
assign (resid  15 and name HD#  ) (resid  15 and name HG#  )  2.4  0.8  0.8
assign (resid  15 and name HD#  ) (resid  15 and name HN  )  3.4  1.2  1.2
assign (resid  15 and name HG#  ) (resid  15 and name HN  )  2.8  1.0  1.0
assign (resid  15 and name HA  ) (resid  16 and name HN  )  2.5  0.9  0.9
assign (resid  15 and name HG#  ) (resid  16 and name HN  )  3.1  1.1  1.1
assign (resid  15 and name HN  ) (resid  16 and name HN  )  3.1  1.1  1.1
assign (resid  15 and name HG#  ) (resid  17 and name HN  )  2.3  0.8  0.8
assign (resid  16 and name HA  ) (resid  16 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid  16 and name HA  ) (resid  16 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid  16 and name HA  ) (resid  16 and name HG#  )  2.7  0.9  0.9
assign (resid  16 and name HA  ) (resid  16 and name HN  )  2.5  0.9  0.9
assign (resid  16 and (name HB1 or name HB2  )) (resid  16 and name HG#  )  2.8  1.0  1.0
assign (resid  16 and (name HB1 or name HB2  )) (resid  16 and name HN  )  2.8  1.0  1.0
assign (resid  16 and (name HB2 or name HB1  )) (resid  16 and name HN  )  2.6  0.9  0.9
assign (resid  16 and name HG#  ) (resid  16 and name HN  )  3.0  1.0  1.0
assign (resid  16 and name HA  ) (resid  17 and name HD#  )  2.8  1.0  1.0
assign (resid  16 and name HA  ) (resid  17 and name HN  )  2.5  0.9  0.9
assign (resid  16 and (name HB1 or name HB2  )) (resid  17 and name HN  )  3.0  1.0  1.0
assign (resid  16 and name HG#  ) (resid  17 and name HN  )  2.9  1.0  1.0
assign (resid  16 and name HN  ) (resid  17 and name HN  )  3.1  1.1  1.1
assign (resid  17 and name HA  ) (resid  17 and (name HB1 or name HB2  )) 2.7  0.9  0.9
assign (resid  17 and name HA  ) (resid  17 and (name HB2 or name HB1  )) 2.8  1.0  1.0
assign (resid  17 and name HA  ) (resid  17 and name HG#  )  3.1  1.1  1.1
assign (resid  17 and name HA  ) (resid  17 and name HN  )  2.8  1.0  1.0
assign (resid  17 and (name HB1 or name HB2  )) (resid  17 and name HN  )  3.0  1.0  1.0
assign (resid  17 and (name HB2 or name HB1  )) (resid  17 and name HN  )  2.6  0.9  0.9
assign (resid  17 and name HG#  ) (resid  17 and name HN  )  3.2  1.1  1.1
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           HT1      GLU   1  -8.963  -7.961  -1.242
    2    H2   GLU   1           HT2      GLU   1  -7.617  -7.056  -0.739
    3    H3   GLU   1           HT3      GLU   1  -8.797  -7.521   0.391
    4    HA   GLU   1           HA       GLU   1  -7.427  -9.582  -1.148
    5    HB2  GLU   1           HB2      GLU   1  -5.583  -9.689   0.533
    6    HB3  GLU   1           HB1      GLU   1  -5.582  -8.118  -0.344
    7    HG2  GLU   1           HG2      GLU   1  -6.804  -7.045   1.602
    8    HG3  GLU   1           HG1      GLU   1  -6.720  -8.616   2.493
    9    H    MET   2           HN       MET   2 -10.103  -9.111   0.281
   10    HA   MET   2           HA       MET   2  -9.798 -11.377   2.121
   11    HB2  MET   2           HB2      MET   2 -11.712  -8.997   2.448
   12    HB3  MET   2           HB1      MET   2 -11.688 -10.464   3.483
   13    HG2  MET   2           HG2      MET   2  -9.432  -8.383   3.208
   14    HG3  MET   2           HG1      MET   2 -10.566  -8.537   4.585
   15    HE1  MET   2           HE1      MET   2 -10.910 -10.276   5.988
   16    HE2  MET   2           HE2      MET   2  -9.701 -11.458   6.598
   17    HE3  MET   2           HE3      MET   2 -10.697 -11.856   5.156
   18    H    ARG   3           HN       ARG   3 -11.668 -12.795   2.185
   19    HA   ARG   3           HA       ARG   3 -13.699 -12.119   0.251
   20    HB2  ARG   3           HB2      ARG   3 -12.117 -13.550  -1.042
   21    HB3  ARG   3           HB1      ARG   3 -12.153 -14.767   0.278
   22    HG2  ARG   3           HG2      ARG   3 -13.594 -15.509  -1.559
   23    HG3  ARG   3           HG1      ARG   3 -14.597 -15.127  -0.119
   24    HD2  ARG   3           HD2      ARG   3 -15.222 -12.907  -1.119
   25    HD3  ARG   3           HD1      ARG   3 -14.192 -13.270  -2.572
   26    HE   ARG   3           HE       ARG   3 -16.820 -14.484  -1.910
   27   HH11  ARG   3          HH11      ARG   3 -13.786 -14.645  -3.779
   28   HH12  ARG   3          HH12      ARG   3 -14.432 -15.655  -5.029
   29   HH21  ARG   3          HH21      ARG   3 -17.692 -15.856  -3.610
   30   HH22  ARG   3          HH22      ARG   3 -16.689 -16.354  -4.930
   31    H    LEU   4           HN       LEU   4 -15.682 -12.604   1.055
   32    HA   LEU   4           HA       LEU   4 -16.082 -14.755   2.825
   33    HB2  LEU   4           HB2      LEU   4 -17.023 -13.021   4.666
   34    HB3  LEU   4           HB1      LEU   4 -15.326 -13.600   4.730
   35    HG   LEU   4           HG       LEU   4 -14.475 -11.589   3.730
   36   HD11  LEU   4          HD11      LEU   4 -17.363 -11.061   2.932
   37   HD12  LEU   4          HD12      LEU   4 -15.830 -10.826   2.003
   38   HD13  LEU   4          HD13      LEU   4 -16.299  -9.645   3.286
   39   HD21  LEU   4          HD21      LEU   4 -16.031 -11.568   6.180
   40   HD22  LEU   4          HD22      LEU   4 -16.180  -9.949   5.393
   41   HD23  LEU   4          HD23      LEU   4 -14.549 -10.627   5.764
   42    H    SER   5           HN       SER   5 -18.496 -14.208   3.894
   43    HA   SER   5           HA       SER   5 -20.043 -12.455   2.357
   44    HB2  SER   5           HB2      SER   5 -19.636 -14.314   0.605
   45    HB3  SER   5           HB1      SER   5 -20.513 -15.436   1.718
   46    HG   SER   5           HG       SER   5 -21.435 -13.427   0.078
   47    H    DPP   6           HN       DPP   6 -22.214 -14.927   2.740
   48    HA   DPP   6           HA       DPP   6 -22.917 -13.884   5.275
   49    HB2  DPP   6           HB2      DPP   6 -24.080 -16.230   3.663
   50    HB3  DPP   6           HB3      DPP   6 -24.836 -14.624   3.972
   51    H    PHE   7           HN       PHE   7 -21.339 -14.184   6.717
   52    HA   PHE   7           HA       PHE   7 -21.102 -16.935   7.693
   53    HB2  PHE   7           HB2      PHE   7 -18.760 -16.796   7.144
   54    HB3  PHE   7           HB1      PHE   7 -18.827 -14.986   7.017
   55    HD1  PHE   7           HD1      PHE   7 -19.853 -17.087   9.958
   56    HD2  PHE   7           HD2      PHE   7 -17.006 -14.347   8.354
   57    HE1  PHE   7           HE1      PHE   7 -18.996 -16.685  12.213
   58    HE2  PHE   7           HE2      PHE   7 -16.102 -14.016  10.616
   59    HZ   PHE   7           HZ       PHE   7 -17.068 -15.195  12.530
   60    H    PHE   8           HN       PHE   8 -19.732 -13.832   8.585
   61    HA   PHE   8           HA       PHE   8 -20.585 -14.142  11.204
   62    HB2  PHE   8           HB2      PHE   8 -19.246 -12.222  11.624
   63    HB3  PHE   8           HB1      PHE   8 -18.451 -13.036  10.261
   64    HD1  PHE   8           HD1      PHE   8 -19.587 -10.084  11.527
   65    HD2  PHE   8           HD2      PHE   8 -19.280 -12.313   7.954
   66    HE1  PHE   8           HE1      PHE   8 -19.842  -8.084  10.288
   67    HE2  PHE   8           HE2      PHE   8 -19.502 -10.307   6.661
   68    HZ   PHE   8           HZ       PHE   8 -19.778  -8.151   7.826
   69    H    ARG   9           HN       ARG   9 -21.846 -11.969   8.542
   70    HA   ARG   9           HA       ARG   9 -23.438 -10.784  10.514
   71    HB2  ARG   9           HB2      ARG   9 -24.828 -10.656   7.921
   72    HB3  ARG   9           HB1      ARG   9 -24.138  -9.327   8.913
   73    HG2  ARG   9           HG2      ARG   9 -23.020  -9.227   6.816
   74    HG3  ARG   9           HG1      ARG   9 -21.853  -9.944   7.973
   75    HD2  ARG   9           HD2      ARG   9 -21.642 -11.796   6.659
   76    HD3  ARG   9           HD1      ARG   9 -23.430 -12.090   6.766
   77    HE   ARG   9           HE       ARG   9 -22.046 -10.436   4.651
   78   HH11  ARG   9          HH11      ARG   9 -24.915 -12.118   5.958
   79   HH12  ARG   9          HH12      ARG   9 -25.848 -11.960   4.506
   80   HH21  ARG   9          HH21      ARG   9 -23.320 -10.236   2.690
   81   HH22  ARG   9          HH22      ARG   9 -24.926 -10.878   2.622
   82    H    GLN  10           HN       GLN  10 -23.564 -13.972   9.716
   83    HA   GLN  10           HA       GLN  10 -26.194 -13.923  10.827
   84    HB2  GLN  10           HB2      GLN  10 -27.205 -15.512   9.305
   85    HB3  GLN  10           HB1      GLN  10 -26.613 -14.123   8.345
   86    HG2  GLN  10           HG2      GLN  10 -24.641 -16.389   8.596
   87    HG3  GLN  10           HG1      GLN  10 -26.158 -16.798   7.708
   88   HE21  GLN  10          HE21      GLN  10 -25.023 -16.965   5.696
   89    H    PHE  11           HN       PHE  11 -23.362 -14.420  11.499
   90    HA   PHE  11           HA       PHE  11 -23.810 -17.077  12.605
   91    HB2  PHE  11           HB2      PHE  11 -21.925 -17.253  10.984
   92    HB3  PHE  11           HB1      PHE  11 -21.151 -15.837  11.775
   93    HD1  PHE  11           HD1      PHE  11 -21.487 -19.337  11.704
   94    HD2  PHE  11           HD2      PHE  11 -20.593 -16.019  14.208
   95    HE1  PHE  11           HE1      PHE  11 -20.327 -20.843  13.266
   96    HE2  PHE  11           HE2      PHE  11 -19.408 -17.529  15.767
   97    HZ   PHE  11           HZ       PHE  11 -19.280 -19.937  15.297
   98    H    ILE  12           HN       ILE  12 -22.072 -13.947  12.853
   99    HA   ILE  12           HA       ILE  12 -21.879 -14.348  15.682
  100    HB   ILE  12           HB       ILE  12 -21.491 -11.614  15.176
  101   HG12  ILE  12          HG12      ILE  12 -19.521 -11.934  13.462
  102   HG13  ILE  12          HG11      ILE  12 -20.647 -13.176  12.828
  103   HG21  ILE  12          HG21      ILE  12 -20.148 -12.794  16.832
  104   HG22  ILE  12          HG22      ILE  12 -18.990 -12.252  15.560
  105   HG23  ILE  12          HG23      ILE  12 -19.540 -13.971  15.604
  106   HD11  ILE  12          HD11      ILE  12 -21.211 -11.033  11.799
  107   HD12  ILE  12          HD12      ILE  12 -21.298 -10.244  13.412
  108   HD13  ILE  12          HD13      ILE  12 -22.511 -11.503  12.947
  109    H    LEU  13           HN       LEU  13 -23.913 -13.373  13.366
  110    HA   LEU  13           HA       LEU  13 -25.265 -11.491  15.021
  111    HB2  LEU  13           HB2      LEU  13 -24.503 -11.932  12.306
  112    HB3  LEU  13           HB1      LEU  13 -26.306 -11.668  12.388
  113    HG   LEU  13           HG       LEU  13 -25.979  -9.522  13.551
  114   HD11  LEU  13          HD11      LEU  13 -23.443 -10.645  14.351
  115   HD12  LEU  13          HD12      LEU  13 -24.126  -9.031  14.782
  116   HD13  LEU  13          HD13      LEU  13 -23.060  -9.201  13.338
  117   HD21  LEU  13          HD21      LEU  13 -23.860  -9.146  11.436
  118   HD22  LEU  13          HD22      LEU  13 -25.442  -8.306  11.670
  119   HD23  LEU  13          HD23      LEU  13 -25.391  -9.927  10.881
  120    H    GLN  14           HN       GLN  14 -25.113 -14.719  14.558
  121    HA   GLN  14           HA       GLN  14 -27.814 -15.047  15.467
  122    HB2  GLN  14           HB2      GLN  14 -26.680 -16.562  13.038
  123    HB3  GLN  14           HB1      GLN  14 -28.140 -17.085  13.948
  124    HG2  GLN  14           HG2      GLN  14 -27.919 -14.318  12.614
  125    HG3  GLN  14           HG1      GLN  14 -28.585 -15.773  11.766
  126   HE21  GLN  14          HE21      GLN  14 -29.477 -13.076  13.569
  127   HE22  GLN  14          HE22      GLN  14 -30.973 -13.646  14.230
  128    H    ARG  15           HN       ARG  15 -25.353 -14.838  16.623
  129    HA   ARG  15           HA       ARG  15 -24.289 -17.487  16.914
  130    HB2  ARG  15           HB2      ARG  15 -23.342 -14.808  17.201
  131    HB3  ARG  15           HB1      ARG  15 -23.275 -15.545  18.843
  132    HG2  ARG  15           HG2      ARG  15 -22.051 -17.553  17.806
  133    HG3  ARG  15           HG1      ARG  15 -21.952 -16.620  16.261
  134    HD2  ARG  15           HD2      ARG  15 -19.880 -16.094  17.270
  135    HD3  ARG  15           HD1      ARG  15 -20.915 -14.710  17.840
  136    HE   ARG  15           HE       ARG  15 -21.125 -16.883  19.727
  137   HH11  ARG  15          HH11      ARG  15 -18.841 -14.451  18.479
  138   HH12  ARG  15          HH12      ARG  15 -17.945 -14.312  19.955
  139   HH21  ARG  15          HH21      ARG  15 -19.914 -16.696  21.730
  140   HH22  ARG  15          HH22      ARG  15 -18.566 -15.612  21.837
  141    H    LYS  16           HN       LYS  16 -25.961 -18.682  17.879
  142    HA   LYS  16           HA       LYS  16 -27.357 -17.788  20.127
  143    HB2  LYS  16           HB2      LYS  16 -26.646 -20.634  19.225
  144    HB3  LYS  16           HB1      LYS  16 -27.783 -20.262  20.570
  145    HG2  LYS  16           HG2      LYS  16 -29.250 -19.006  18.985
  146    HG3  LYS  16           HG1      LYS  16 -28.117 -19.385  17.643
  147    HD2  LYS  16           HD2      LYS  16 -28.527 -21.830  17.982
  148    HD3  LYS  16           HD1      LYS  16 -29.651 -21.457  19.335
  149    HE2  LYS  16           HE2      LYS  16 -31.166 -20.230  17.750
  150    HE3  LYS  16           HE1      LYS  16 -30.028 -20.594  16.386
  151    HZ1  LYS  16           HZ1      LYS  16 -31.105 -22.467  16.153
  152    HZ2  LYS  16           HZ2      LYS  16 -32.034 -22.211  17.551
  153    HZ3  LYS  16           HZ3      LYS  16 -30.530 -22.992  17.661
  154    H    LYS  17           HN       LYS  17 -24.249 -19.439  19.629
  155    HA   LYS  17           HA       LYS  17 -23.766 -19.051  22.502
  156    HB2  LYS  17           HB2      LYS  17 -23.544 -21.574  20.877
  157    HB3  LYS  17           HB1      LYS  17 -22.104 -21.191  21.883
  158    HG2  LYS  17           HG2      LYS  17 -23.494 -22.595  23.237
  159    HG3  LYS  17           HG1      LYS  17 -23.693 -20.931  23.885
  160    HD2  LYS  17           HD2      LYS  17 -25.851 -20.682  22.697
  161    HD3  LYS  17           HD1      LYS  17 -25.633 -22.279  21.903
  162    HE2  LYS  17           HE2      LYS  17 -25.722 -23.412  24.148
  163    HE3  LYS  17           HE1      LYS  17 -25.942 -21.798  24.945
  164    HZ1  LYS  17           HZ1      LYS  17 -28.029 -22.852  24.630
  165    HZ2  LYS  17           HZ2      LYS  17 -27.753 -23.090  22.971
  166    HZ3  LYS  17           HZ3      LYS  17 -27.943 -21.517  23.584
  Start of MODEL    2
    1    H1   GLU   1           HT1      GLU   1 -11.383  -8.490  -0.573
    2    H2   GLU   1           HT2      GLU   1 -10.707  -7.027  -1.112
    3    H3   GLU   1           HT3      GLU   1 -12.326  -7.076  -0.599
    4    HA   GLU   1           HA       GLU   1  -9.907  -6.840   0.913
    5    HB2  GLU   1           HB2      GLU   1 -11.778  -5.141   0.837
    6    HB3  GLU   1           HB1      GLU   1 -12.869  -6.360   1.587
    7    HG2  GLU   1           HG2      GLU   1 -11.444  -6.404   3.651
    8    HG3  GLU   1           HG1      GLU   1 -10.306  -5.217   2.898
    9    H    MET   2           HN       MET   2 -12.856  -8.921   0.965
   10    HA   MET   2           HA       MET   2 -11.474 -10.518   3.004
   11    HB2  MET   2           HB2      MET   2 -14.505 -10.073   2.796
   12    HB3  MET   2           HB1      MET   2 -13.685 -11.185   3.943
   13    HG2  MET   2           HG2      MET   2 -13.443  -8.115   3.881
   14    HG3  MET   2           HG1      MET   2 -14.387  -9.079   5.056
   15    HE1  MET   2           HE1      MET   2 -12.131 -10.746   7.402
   16    HE2  MET   2           HE2      MET   2 -12.317 -11.622   5.844
   17    HE3  MET   2           HE3      MET   2 -13.691 -10.673   6.510
   18    H    ARG   3           HN       ARG   3 -12.177 -12.823   2.955
   19    HA   ARG   3           HA       ARG   3 -13.140 -13.475   0.275
   20    HB2  ARG   3           HB2      ARG   3 -11.939 -15.739   0.690
   21    HB3  ARG   3           HB1      ARG   3 -10.881 -14.332   0.332
   22    HG2  ARG   3           HG2      ARG   3 -10.085 -14.169   2.528
   23    HG3  ARG   3           HG1      ARG   3 -11.552 -14.925   3.239
   24    HD2  ARG   3           HD2      ARG   3 -10.850 -17.167   2.476
   25    HD3  ARG   3           HD1      ARG   3  -9.450 -16.456   1.557
   26    HE   ARG   3           HE       ARG   3  -8.290 -16.190   3.607
   27   HH11  ARG   3          HH11      ARG   3 -11.730 -16.951   4.164
   28   HH12  ARG   3          HH12      ARG   3 -11.552 -17.217   5.866
   29   HH21  ARG   3          HH21      ARG   3  -8.053 -16.556   5.919
   30   HH22  ARG   3          HH22      ARG   3  -9.427 -16.989   6.879
   31    H    LEU   4           HN       LEU   4 -14.890 -12.835   2.375
   32    HA   LEU   4           HA       LEU   4 -15.867 -15.517   2.982
   33    HB2  LEU   4           HB2      LEU   4 -15.766 -13.105   4.856
   34    HB3  LEU   4           HB1      LEU   4 -16.876 -14.499   5.127
   35    HG   LEU   4           HG       LEU   4 -13.836 -14.719   4.823
   36   HD11  LEU   4          HD11      LEU   4 -13.814 -15.173   7.298
   37   HD12  LEU   4          HD12      LEU   4 -15.564 -14.734   7.374
   38   HD13  LEU   4          HD13      LEU   4 -14.343 -13.495   6.892
   39   HD21  LEU   4          HD21      LEU   4 -16.012 -16.684   4.728
   40   HD22  LEU   4          HD22      LEU   4 -14.950 -17.006   6.160
   41   HD23  LEU   4          HD23      LEU   4 -14.232 -16.920   4.504
   42    H    SER   5           HN       SER   5 -18.195 -15.567   3.507
   43    HA   SER   5           HA       SER   5 -19.593 -13.483   2.008
   44    HB2  SER   5           HB2      SER   5 -19.263 -15.807   0.785
   45    HB3  SER   5           HB1      SER   5 -20.401 -16.444   2.031
   46    HG   SER   5           HG       SER   5 -20.842 -14.817  -0.152
   47    H    DPP   6           HN       DPP   6 -22.186 -15.038   2.602
   48    HA   DPP   6           HA       DPP   6 -22.443 -13.895   5.196
   49    HB2  DPP   6           HB2      DPP   6 -24.429 -15.539   3.516
   50    HB3  DPP   6           HB3      DPP   6 -24.502 -13.777   3.889
   51    H    PHE   7           HN       PHE   7 -20.906 -14.932   6.405
   52    HA   PHE   7           HA       PHE   7 -21.812 -17.568   7.333
   53    HB2  PHE   7           HB2      PHE   7 -19.638 -18.351   6.657
   54    HB3  PHE   7           HB1      PHE   7 -18.980 -16.660   6.575
   55    HD1  PHE   7           HD1      PHE   7 -20.627 -18.348   9.500
   56    HD2  PHE   7           HD2      PHE   7 -17.019 -16.807   7.836
   57    HE1  PHE   7           HE1      PHE   7 -19.596 -18.418  11.717
   58    HE2  PHE   7           HE2      PHE   7 -15.968 -16.962  10.055
   59    HZ   PHE   7           HZ       PHE   7 -17.234 -17.790  11.978
   60    H    PHE   8           HN       PHE   8 -19.275 -15.318   8.232
   61    HA   PHE   8           HA       PHE   8 -20.071 -15.367  10.884
   62    HB2  PHE   8           HB2      PHE   8 -18.059 -14.152  11.266
   63    HB3  PHE   8           HB1      PHE   8 -17.714 -15.148   9.839
   64    HD1  PHE   8           HD1      PHE   8 -17.518 -12.053  11.238
   65    HD2  PHE   8           HD2      PHE   8 -18.306 -14.052   7.604
   66    HE1  PHE   8           HE1      PHE   8 -17.010 -10.062  10.064
   67    HE2  PHE   8           HE2      PHE   8 -17.774 -12.068   6.368
   68    HZ   PHE   8           HZ       PHE   8 -17.111 -10.030   7.602
   69    H    ARG   9           HN       ARG   9 -20.470 -12.804   8.327
   70    HA   ARG   9           HA       ARG   9 -21.361 -11.097  10.331
   71    HB2  ARG   9           HB2      ARG   9 -22.656  -9.865   8.396
   72    HB3  ARG   9           HB1      ARG   9 -20.861  -9.893   8.356
   73    HG2  ARG   9           HG2      ARG   9 -22.251 -12.183   6.977
   74    HG3  ARG   9           HG1      ARG   9 -22.452 -10.561   6.228
   75    HD2  ARG   9           HD2      ARG   9 -19.735 -10.519   6.722
   76    HD3  ARG   9           HD1      ARG   9 -19.997 -12.301   6.470
   77    HE   ARG   9           HE       ARG   9 -20.604 -11.869   4.207
   78   HH11  ARG   9          HH11      ARG   9 -20.298  -8.853   6.085
   79   HH12  ARG   9          HH12      ARG   9 -20.324  -7.811   4.702
   80   HH21  ARG   9          HH21      ARG   9 -20.640 -10.450   2.332
   81   HH22  ARG   9          HH22      ARG   9 -20.523  -8.735   2.534
   82    H    GLN  10           HN       GLN  10 -22.850 -13.988   9.402
   83    HA   GLN  10           HA       GLN  10 -25.110 -12.938  10.829
   84    HB2  GLN  10           HB2      GLN  10 -26.805 -13.891   9.392
   85    HB3  GLN  10           HB1      GLN  10 -25.778 -12.804   8.410
   86    HG2  GLN  10           HG2      GLN  10 -24.939 -15.710   8.417
   87    HG3  GLN  10           HG1      GLN  10 -26.523 -15.356   7.628
   88   HE21  GLN  10          HE21      GLN  10 -25.564 -15.925   5.552
   89    H    PHE  11           HN       PHE  11 -22.726 -14.535  11.315
   90    HA   PHE  11           HA       PHE  11 -24.134 -16.851  12.378
   91    HB2  PHE  11           HB2      PHE  11 -22.537 -17.686  10.656
   92    HB3  PHE  11           HB1      PHE  11 -21.239 -16.720  11.433
   93    HD1  PHE  11           HD1      PHE  11 -22.938 -19.799  11.314
   94    HD2  PHE  11           HD2      PHE  11 -20.691 -17.206  13.826
   95    HE1  PHE  11           HE1      PHE  11 -22.432 -21.695  12.798
   96    HE2  PHE  11           HE2      PHE  11 -20.165 -19.116  15.308
   97    HZ   PHE  11           HZ       PHE  11 -21.036 -21.355  14.793
   98    H    ILE  12           HN       ILE  12 -21.275 -14.692  12.605
   99    HA   ILE  12           HA       ILE  12 -21.142 -15.249  15.406
  100    HB   ILE  12           HB       ILE  12 -19.748 -12.850  14.937
  101   HG12  ILE  12          HG12      ILE  12 -18.124 -13.859  13.125
  102   HG13  ILE  12          HG11      ILE  12 -19.674 -14.526  12.521
  103   HG21  ILE  12          HG21      ILE  12 -18.723 -15.769  15.104
  104   HG22  ILE  12          HG22      ILE  12 -19.015 -14.653  16.497
  105   HG23  ILE  12          HG23      ILE  12 -17.695 -14.301  15.318
  106   HD11  ILE  12          HD11      ILE  12 -19.077 -11.601  13.195
  107   HD12  ILE  12          HD12      ILE  12 -20.710 -12.253  12.777
  108   HD13  ILE  12          HD13      ILE  12 -19.385 -12.300  11.565
  109    H    LEU  13           HN       LEU  13 -22.661 -13.395  13.211
  110    HA   LEU  13           HA       LEU  13 -23.117 -11.246  15.014
  111    HB2  LEU  13           HB2      LEU  13 -22.699 -11.805  12.246
  112    HB3  LEU  13           HB1      LEU  13 -24.227 -10.832  12.447
  113    HG   LEU  13           HG       LEU  13 -23.020  -9.062  13.626
  114   HD11  LEU  13          HD11      LEU  13 -21.180  -9.487  14.895
  115   HD12  LEU  13          HD12      LEU  13 -20.228  -9.881  13.413
  116   HD13  LEU  13          HD13      LEU  13 -21.125 -11.184  14.279
  117   HD21  LEU  13          HD21      LEU  13 -22.700  -9.523  10.954
  118   HD22  LEU  13          HD22      LEU  13 -20.966  -9.589  11.457
  119   HD23  LEU  13          HD23      LEU  13 -21.953  -8.117  11.800
  120    H    GLN  14           HN       GLN  14 -24.295 -14.238  14.441
  121    HA   GLN  14           HA       GLN  14 -26.875 -13.469  15.443
  122    HB2  GLN  14           HB2      GLN  14 -26.504 -15.238  12.953
  123    HB3  GLN  14           HB1      GLN  14 -28.031 -15.154  13.895
  124    HG2  GLN  14           HG2      GLN  14 -26.729 -12.674  12.614
  125    HG3  GLN  14           HG1      GLN  14 -27.951 -13.703  11.760
  126   HE21  GLN  14          HE21      GLN  14 -27.636 -10.922  13.608
  127   HE22  GLN  14          HE22      GLN  14 -29.211 -10.856  14.322
  128    H    ARG  15           HN       ARG  15 -24.470 -14.372  16.484
  129    HA   ARG  15           HA       ARG  15 -24.628 -17.224  16.716
  130    HB2  ARG  15           HB2      ARG  15 -22.665 -15.148  17.086
  131    HB3  ARG  15           HB1      ARG  15 -22.856 -15.995  18.664
  132    HG2  ARG  15           HG2      ARG  15 -22.497 -18.216  17.473
  133    HG3  ARG  15           HG1      ARG  15 -22.183 -17.318  15.942
  134    HD2  ARG  15           HD2      ARG  15 -19.991 -17.306  16.586
  135    HD3  ARG  15           HD1      ARG  15 -20.472 -16.041  17.801
  136    HE   ARG  15           HE       ARG  15 -21.044 -18.588  18.958
  137   HH11  ARG  15          HH11      ARG  15 -18.284 -16.681  17.763
  138   HH12  ARG  15          HH12      ARG  15 -17.133 -17.371  18.858
  139   HH21  ARG  15          HH21      ARG  15 -19.478 -19.527  20.451
  140   HH22  ARG  15          HH22      ARG  15 -17.824 -19.016  20.411
  141    H    LYS  16           HN       LYS  16 -26.737 -17.508  17.659
  142    HA   LYS  16           HA       LYS  16 -27.219 -16.202  20.175
  143    HB2  LYS  16           HB2      LYS  16 -29.363 -17.422  20.208
  144    HB3  LYS  16           HB1      LYS  16 -29.129 -16.649  18.602
  145    HG2  LYS  16           HG2      LYS  16 -28.314 -18.835  17.673
  146    HG3  LYS  16           HG1      LYS  16 -28.576 -19.608  19.274
  147    HD2  LYS  16           HD2      LYS  16 -31.014 -19.049  19.143
  148    HD3  LYS  16           HD1      LYS  16 -30.751 -18.275  17.542
  149    HE2  LYS  16           HE2      LYS  16 -29.998 -20.475  16.591
  150    HE3  LYS  16           HE1      LYS  16 -30.253 -21.257  18.208
  151    HZ1  LYS  16           HZ1      LYS  16 -32.559 -19.823  17.503
  152    HZ2  LYS  16           HZ2      LYS  16 -32.350 -21.497  17.701
  153    HZ3  LYS  16           HZ3      LYS  16 -32.104 -20.784  16.179
  154    H    LYS  17           HN       LYS  17 -25.221 -18.701  19.228
  155    HA   LYS  17           HA       LYS  17 -24.212 -20.325  20.345
  156    HB2  LYS  17           HB2      LYS  17 -25.340 -18.715  22.636
  157    HB3  LYS  17           HB1      LYS  17 -24.931 -20.423  23.015
  158    HG2  LYS  17           HG2      LYS  17 -23.001 -19.067  23.544
  159    HG3  LYS  17           HG1      LYS  17 -22.612 -20.027  22.075
  160    HD2  LYS  17           HD2      LYS  17 -22.984 -18.086  20.626
  161    HD3  LYS  17           HD1      LYS  17 -23.623 -17.118  21.997
  162    HE2  LYS  17           HE2      LYS  17 -21.374 -17.184  23.107
  163    HE3  LYS  17           HE1      LYS  17 -20.729 -18.186  21.740
  164    HZ1  LYS  17           HZ1      LYS  17 -20.529 -15.590  21.807
  165    HZ2  LYS  17           HZ2      LYS  17 -22.071 -15.664  21.097
  166    HZ3  LYS  17           HZ3      LYS  17 -20.754 -16.438  20.351
  Start of MODEL    3
    1    H1   GLU   1           HT1      GLU   1 -10.769  -5.348   1.858
    2    H2   GLU   1           HT2      GLU   1 -10.915  -6.210   3.315
    3    H3   GLU   1           HT3      GLU   1 -12.180  -6.238   2.181
    4    HA   GLU   1           HA       GLU   1 -10.980  -7.505   0.675
    5    HB2  GLU   1           HB2      GLU   1  -8.801  -6.267   1.016
    6    HB3  GLU   1           HB1      GLU   1  -8.581  -7.150   2.568
    7    HG2  GLU   1           HG2      GLU   1  -8.473  -9.333   1.344
    8    HG3  GLU   1           HG1      GLU   1  -8.746  -8.478  -0.226
    9    H    MET   2           HN       MET   2 -12.476  -9.122   1.312
   10    HA   MET   2           HA       MET   2 -11.412 -10.872   3.403
   11    HB2  MET   2           HB2      MET   2 -14.355 -10.090   3.011
   12    HB3  MET   2           HB1      MET   2 -13.793 -11.454   4.039
   13    HG2  MET   2           HG2      MET   2 -12.412  -9.755   5.376
   14    HG3  MET   2           HG1      MET   2 -13.229  -8.457   4.449
   15    HE1  MET   2           HE1      MET   2 -16.732  -8.211   5.464
   16    HE2  MET   2           HE2      MET   2 -16.386  -9.426   4.186
   17    HE3  MET   2           HE3      MET   2 -15.405  -7.923   4.285
   18    H    ARG   3           HN       ARG   3 -12.304 -13.115   3.188
   19    HA   ARG   3           HA       ARG   3 -12.999 -13.585   0.390
   20    HB2  ARG   3           HB2      ARG   3 -12.095 -15.963   0.841
   21    HB3  ARG   3           HB1      ARG   3 -10.852 -14.668   0.747
   22    HG2  ARG   3           HG2      ARG   3 -10.501 -14.635   3.094
   23    HG3  ARG   3           HG1      ARG   3 -12.077 -15.423   3.445
   24    HD2  ARG   3           HD2      ARG   3 -11.248 -17.586   2.547
   25    HD3  ARG   3           HD1      ARG   3  -9.664 -16.815   2.086
   26    HE   ARG   3           HE       ARG   3 -10.588 -17.492   4.838
   27   HH11  ARG   3          HH11      ARG   3  -8.309 -15.737   2.729
   28   HH12  ARG   3          HH12      ARG   3  -7.075 -15.585   3.935
   29   HH21  ARG   3          HH21      ARG   3  -8.906 -17.287   6.469
   30   HH22  ARG   3          HH22      ARG   3  -7.421 -16.482   6.095
   31    H    LEU   4           HN       LEU   4 -14.801 -12.851   2.579
   32    HA   LEU   4           HA       LEU   4 -16.163 -15.431   2.855
   33    HB2  LEU   4           HB2      LEU   4 -16.093 -13.058   4.784
   34    HB3  LEU   4           HB1      LEU   4 -17.288 -14.402   4.903
   35    HG   LEU   4           HG       LEU   4 -14.245 -14.740   4.945
   36   HD11  LEU   4          HD11      LEU   4 -14.634 -13.715   7.010
   37   HD12  LEU   4          HD12      LEU   4 -14.862 -15.455   7.439
   38   HD13  LEU   4          HD13      LEU   4 -16.298 -14.393   7.170
   39   HD21  LEU   4          HD21      LEU   4 -16.504 -16.625   4.595
   40   HD22  LEU   4          HD22      LEU   4 -15.504 -17.039   6.050
   41   HD23  LEU   4          HD23      LEU   4 -14.720 -16.896   4.428
   42    H    SER   5           HN       SER   5 -18.357 -15.501   2.642
   43    HA   SER   5           HA       SER   5 -19.420 -13.247   1.141
   44    HB2  SER   5           HB2      SER   5 -19.982 -16.234   1.344
   45    HB3  SER   5           HB1      SER   5 -21.368 -15.141   0.910
   46    HG   SER   5           HG       SER   5 -18.865 -14.982  -0.394
   47    H    DPP   6           HN       DPP   6 -21.645 -15.489   2.747
   48    HA   DPP   6           HA       DPP   6 -22.169 -13.304   4.577
   49    HB2  DPP   6           HB2      DPP   6 -23.891 -15.838   4.560
   50    HB3  DPP   6           HB3      DPP   6 -24.113 -14.612   3.261
   51    H    PHE   7           HN       PHE   7 -23.152 -16.367   5.796
   52    HA   PHE   7           HA       PHE   7 -22.344 -17.706   7.346
   53    HB2  PHE   7           HB2      PHE   7 -20.247 -18.423   6.409
   54    HB3  PHE   7           HB1      PHE   7 -19.626 -16.722   6.273
   55    HD1  PHE   7           HD1      PHE   7 -21.069 -18.380   9.320
   56    HD2  PHE   7           HD2      PHE   7 -17.607 -16.825   7.396
   57    HE1  PHE   7           HE1      PHE   7 -19.892 -18.398  11.469
   58    HE2  PHE   7           HE2      PHE   7 -16.393 -16.956   9.533
   59    HZ   PHE   7           HZ       PHE   7 -17.522 -17.746  11.556
   60    H    PHE   8           HN       PHE   8 -19.765 -15.405   7.901
   61    HA   PHE   8           HA       PHE   8 -20.366 -15.376  10.590
   62    HB2  PHE   8           HB2      PHE   8 -18.350 -14.129  10.840
   63    HB3  PHE   8           HB1      PHE   8 -18.075 -15.123   9.384
   64    HD1  PHE   8           HD1      PHE   8 -17.862 -12.011  10.757
   65    HD2  PHE   8           HD2      PHE   8 -18.879 -14.054   7.219
   66    HE1  PHE   8           HE1      PHE   8 -17.589  -9.996   9.544
   67    HE2  PHE   8           HE2      PHE   8 -18.594 -12.052   5.930
   68    HZ   PHE   8           HZ       PHE   8 -17.929  -9.981   7.104
   69    H    ARG   9           HN       ARG   9 -20.820 -12.646   8.175
   70    HA   ARG   9           HA       ARG   9 -21.677 -11.187  10.421
   71    HB2  ARG   9           HB2      ARG   9 -22.170  -9.332   9.034
   72    HB3  ARG   9           HB1      ARG   9 -20.767 -10.136   8.263
   73    HG2  ARG   9           HG2      ARG   9 -23.697 -10.444   7.396
   74    HG3  ARG   9           HG1      ARG   9 -22.475  -9.370   6.634
   75    HD2  ARG   9           HD2      ARG   9 -21.139 -11.831   6.629
   76    HD3  ARG   9           HD1      ARG   9 -22.865 -12.315   6.335
   77    HE   ARG   9           HE       ARG   9 -21.144 -10.877   4.473
   78   HH11  ARG   9          HH11      ARG   9 -24.502 -11.086   5.678
   79   HH12  ARG   9          HH12      ARG   9 -25.225 -10.586   4.186
   80   HH21  ARG   9          HH21      ARG   9 -22.135 -10.206   2.457
   81   HH22  ARG   9          HH22      ARG   9 -23.858 -10.079   2.327
   82    H    GLN  10           HN       GLN  10 -23.083 -13.874   9.543
   83    HA   GLN  10           HA       GLN  10 -25.530 -12.846  10.614
   84    HB2  GLN  10           HB2      GLN  10 -26.017 -15.012   8.618
   85    HB3  GLN  10           HB1      GLN  10 -26.994 -13.551   8.958
   86    HG2  GLN  10           HG2      GLN  10 -26.326 -12.756   6.927
   87    HG3  GLN  10           HG1      GLN  10 -24.695 -12.523   7.653
   88   HE21  GLN  10          HE21      GLN  10 -24.594 -12.914   5.043
   89    H    PHE  11           HN       PHE  11 -22.960 -14.527  11.090
   90    HA   PHE  11           HA       PHE  11 -24.418 -16.760  12.289
   91    HB2  PHE  11           HB2      PHE  11 -22.941 -17.679  10.518
   92    HB3  PHE  11           HB1      PHE  11 -21.570 -16.735  11.199
   93    HD1  PHE  11           HD1      PHE  11 -23.414 -19.761  11.296
   94    HD2  PHE  11           HD2      PHE  11 -20.855 -17.207  13.533
   95    HE1  PHE  11           HE1      PHE  11 -22.870 -21.634  12.790
   96    HE2  PHE  11           HE2      PHE  11 -20.292 -19.098  15.022
   97    HZ   PHE  11           HZ       PHE  11 -21.299 -21.306  14.651
   98    H    ILE  12           HN       ILE  12 -21.538 -14.631  12.382
   99    HA   ILE  12           HA       ILE  12 -21.262 -15.243  15.174
  100    HB   ILE  12           HB       ILE  12 -19.833 -12.883  14.665
  101   HG12  ILE  12          HG12      ILE  12 -18.327 -13.847  12.746
  102   HG13  ILE  12          HG11      ILE  12 -19.898 -14.537  12.222
  103   HG21  ILE  12          HG21      ILE  12 -18.999 -15.847  14.866
  104   HG22  ILE  12          HG22      ILE  12 -18.930 -14.576  16.151
  105   HG23  ILE  12          HG23      ILE  12 -17.788 -14.513  14.756
  106   HD11  ILE  12          HD11      ILE  12 -20.962 -12.290  12.530
  107   HD12  ILE  12          HD12      ILE  12 -19.667 -12.284  11.278
  108   HD13  ILE  12          HD13      ILE  12 -19.334 -11.607  12.911
  109    H    LEU  13           HN       LEU  13 -23.050 -13.538  13.150
  110    HA   LEU  13           HA       LEU  13 -23.362 -11.310  14.907
  111    HB2  LEU  13           HB2      LEU  13 -23.099 -11.893  12.137
  112    HB3  LEU  13           HB1      LEU  13 -24.673 -11.007  12.405
  113    HG   LEU  13           HG       LEU  13 -23.425  -9.223  13.654
  114   HD11  LEU  13          HD11      LEU  13 -21.423 -11.164  13.998
  115   HD12  LEU  13          HD12      LEU  13 -21.225  -9.394  14.303
  116   HD13  LEU  13          HD13      LEU  13 -20.710 -10.099  12.724
  117   HD21  LEU  13          HD21      LEU  13 -22.875  -8.062  11.742
  118   HD22  LEU  13          HD22      LEU  13 -23.602  -9.494  10.927
  119   HD23  LEU  13          HD23      LEU  13 -21.811  -9.375  11.110
  120    H    GLN  14           HN       GLN  14 -24.510 -14.336  14.426
  121    HA   GLN  14           HA       GLN  14 -26.976 -13.637  15.698
  122    HB2  GLN  14           HB2      GLN  14 -26.895 -15.361  13.148
  123    HB3  GLN  14           HB1      GLN  14 -28.300 -15.283  14.269
  124    HG2  GLN  14           HG2      GLN  14 -28.525 -12.814  13.808
  125    HG3  GLN  14           HG1      GLN  14 -27.152 -12.925  12.636
  126   HE21  GLN  14          HE21      GLN  14 -28.260 -12.552  10.705
  127   HE22  GLN  14          HE22      GLN  14 -29.505 -13.584  10.089
  128    H    ARG  15           HN       ARG  15 -24.588 -14.415  16.597
  129    HA   ARG  15           HA       ARG  15 -24.568 -17.289  16.723
  130    HB2  ARG  15           HB2      ARG  15 -22.640 -15.190  16.839
  131    HB3  ARG  15           HB1      ARG  15 -22.657 -15.941  18.477
  132    HG2  ARG  15           HG2      ARG  15 -22.444 -18.234  17.328
  133    HG3  ARG  15           HG1      ARG  15 -22.164 -17.353  15.773
  134    HD2  ARG  15           HD2      ARG  15 -19.951 -17.699  16.533
  135    HD3  ARG  15           HD1      ARG  15 -20.305 -16.046  17.205
  136    HE   ARG  15           HE       ARG  15 -21.120 -18.049  19.120
  137   HH11  ARG  15          HH11      ARG  15 -18.242 -16.597  17.603
  138   HH12  ARG  15          HH12      ARG  15 -17.206 -16.853  18.966
  139   HH21  ARG  15          HH21      ARG  15 -19.716 -18.398  20.972
  140   HH22  ARG  15          HH22      ARG  15 -18.058 -17.896  20.915
  141    H    LYS  16           HN       LYS  16 -26.441 -17.789  17.927
  142    HA   LYS  16           HA       LYS  16 -27.080 -16.500  20.323
  143    HB2  LYS  16           HB2      LYS  16 -27.644 -19.372  19.398
  144    HB3  LYS  16           HB1      LYS  16 -28.354 -18.639  20.882
  145    HG2  LYS  16           HG2      LYS  16 -29.433 -16.866  19.487
  146    HG3  LYS  16           HG1      LYS  16 -28.732 -17.613  18.008
  147    HD2  LYS  16           HD2      LYS  16 -29.996 -19.721  18.468
  148    HD3  LYS  16           HD1      LYS  16 -30.686 -18.989  19.958
  149    HE2  LYS  16           HE2      LYS  16 -31.827 -17.229  18.574
  150    HE3  LYS  16           HE1      LYS  16 -31.123 -17.960  17.070
  151    HZ1  LYS  16           HZ1      LYS  16 -32.288 -20.047  18.387
  152    HZ2  LYS  16           HZ2      LYS  16 -32.915 -19.201  17.056
  153    HZ3  LYS  16           HZ3      LYS  16 -33.373 -18.766  18.632
  154    H    LYS  17           HN       LYS  17 -24.945 -19.208  19.456
  155    HA   LYS  17           HA       LYS  17 -23.962 -19.104  22.223
  156    HB2  LYS  17           HB2      LYS  17 -25.011 -21.473  20.704
  157    HB3  LYS  17           HB1      LYS  17 -23.393 -21.722  21.445
  158    HG2  LYS  17           HG2      LYS  17 -24.981 -22.481  23.069
  159    HG3  LYS  17           HG1      LYS  17 -24.387 -20.892  23.663
  160    HD2  LYS  17           HD2      LYS  17 -26.432 -19.770  22.825
  161    HD3  LYS  17           HD1      LYS  17 -27.007 -21.306  22.089
  162    HE2  LYS  17           HE2      LYS  17 -27.163 -22.347  24.373
  163    HE3  LYS  17           HE1      LYS  17 -26.577 -20.799  25.113
  164    HZ1  LYS  17           HZ1      LYS  17 -28.503 -19.720  24.025
  165    HZ2  LYS  17           HZ2      LYS  17 -28.912 -20.860  25.214
  166    HZ3  LYS  17           HZ3      LYS  17 -29.076 -21.253  23.571
  Start of MODEL    4
    1    H1   GLU   1           HT1      GLU   1 -10.690  -8.520  -3.072
    2    H2   GLU   1           HT2      GLU   1 -10.375  -9.527  -4.402
    3    H3   GLU   1           HT3      GLU   1  -9.983 -10.048  -2.834
    4    HA   GLU   1           HA       GLU   1 -12.739  -9.374  -3.592
    5    HB2  GLU   1           HB2      GLU   1 -13.130 -11.833  -4.007
    6    HB3  GLU   1           HB1      GLU   1 -12.026 -11.083  -5.214
    7    HG2  GLU   1           HG2      GLU   1 -10.035 -11.967  -3.879
    8    HG3  GLU   1           HG1      GLU   1 -11.200 -12.830  -2.797
    9    H    MET   2           HN       MET   2 -10.715  -9.382  -1.132
   10    HA   MET   2           HA       MET   2 -10.933  -9.671   1.059
   11    HB2  MET   2           HB2      MET   2 -13.767 -10.766   0.615
   12    HB3  MET   2           HB1      MET   2 -13.079 -10.149   2.152
   13    HG2  MET   2           HG2      MET   2 -13.650  -8.491  -0.376
   14    HG3  MET   2           HG1      MET   2 -14.625  -8.507   1.125
   15    HE1  MET   2           HE1      MET   2 -14.047  -7.992   3.224
   16    HE2  MET   2           HE2      MET   2 -12.951  -6.670   3.755
   17    HE3  MET   2           HE3      MET   2 -12.328  -8.350   3.611
   18    H    ARG   3           HN       ARG   3 -11.948 -11.621   2.711
   19    HA   ARG   3           HA       ARG   3 -11.454 -14.129   1.362
   20    HB2  ARG   3           HB2      ARG   3  -9.990 -14.877   3.322
   21    HB3  ARG   3           HB1      ARG   3  -9.213 -13.686   2.225
   22    HG2  ARG   3           HG2      ARG   3  -9.796 -11.837   3.802
   23    HG3  ARG   3           HG1      ARG   3 -10.592 -13.017   4.898
   24    HD2  ARG   3           HD2      ARG   3  -8.328 -12.537   5.762
   25    HD3  ARG   3           HD1      ARG   3  -8.325 -14.232   5.099
   26    HE   ARG   3           HE       ARG   3  -7.554 -12.354   3.027
   27   HH11  ARG   3          HH11      ARG   3  -6.456 -13.893   6.045
   28   HH12  ARG   3          HH12      ARG   3  -4.773 -13.834   5.645
   29   HH21  ARG   3          HH21      ARG   3  -5.264 -12.273   2.480
   30   HH22  ARG   3          HH22      ARG   3  -4.083 -12.896   3.583
   31    H    LEU   4           HN       LEU   4 -13.757 -12.567   2.511
   32    HA   LEU   4           HA       LEU   4 -14.893 -14.704   3.948
   33    HB2  LEU   4           HB2      LEU   4 -15.350 -13.525   6.093
   34    HB3  LEU   4           HB1      LEU   4 -13.580 -13.747   5.867
   35    HG   LEU   4           HG       LEU   4 -13.971 -11.301   4.629
   36   HD11  LEU   4          HD11      LEU   4 -16.262 -10.939   5.205
   37   HD12  LEU   4          HD12      LEU   4 -15.325  -9.953   6.399
   38   HD13  LEU   4          HD13      LEU   4 -16.029 -11.541   6.891
   39   HD21  LEU   4          HD21      LEU   4 -12.155 -11.859   6.214
   40   HD22  LEU   4          HD22      LEU   4 -13.315 -11.815   7.597
   41   HD23  LEU   4          HD23      LEU   4 -12.944 -10.305   6.682
   42    H    SER   5           HN       SER   5 -17.210 -13.966   4.701
   43    HA   SER   5           HA       SER   5 -18.103 -11.503   3.665
   44    HB2  SER   5           HB2      SER   5 -17.911 -12.714   1.460
   45    HB3  SER   5           HB1      SER   5 -18.966 -14.025   2.111
   46    HG   SER   5           HG       SER   5 -19.758 -11.963   0.861
   47    H    DPP   6           HN       DPP   6 -20.231 -14.381   3.378
   48    HA   DPP   6           HA       DPP   6 -21.555 -13.337   5.709
   49    HB2  DPP   6           HB2      DPP   6 -22.306 -15.616   3.784
   50    HB3  DPP   6           HB3      DPP   6 -23.165 -14.050   4.026
   51    H    PHE   7           HN       PHE   7 -20.187 -13.682   7.382
   52    HA   PHE   7           HA       PHE   7 -20.070 -16.491   8.225
   53    HB2  PHE   7           HB2      PHE   7 -17.679 -16.275   8.101
   54    HB3  PHE   7           HB1      PHE   7 -17.774 -14.462   8.097
   55    HD1  PHE   7           HD1      PHE   7 -19.223 -16.812  10.641
   56    HD2  PHE   7           HD2      PHE   7 -16.258 -13.878   9.767
   57    HE1  PHE   7           HE1      PHE   7 -18.786 -16.574  13.039
   58    HE2  PHE   7           HE2      PHE   7 -15.762 -13.714  12.175
   59    HZ   PHE   7           HZ       PHE   7 -16.993 -15.072  13.797
   60    H    PHE   8           HN       PHE   8 -18.938 -13.476   9.611
   61    HA   PHE   8           HA       PHE   8 -20.300 -13.975  11.971
   62    HB2  PHE   8           HB2      PHE   8 -19.062 -12.135  12.804
   63    HB3  PHE   8           HB1      PHE   8 -18.030 -12.817  11.543
   64    HD1  PHE   8           HD1      PHE   8 -19.285  -9.970  12.881
   65    HD2  PHE   8           HD2      PHE   8 -18.497 -11.875   9.198
   66    HE1  PHE   8           HE1      PHE   8 -19.231  -7.843  11.815
   67    HE2  PHE   8           HE2      PHE   8 -18.428  -9.756   8.104
   68    HZ   PHE   8           HZ       PHE   8 -18.771  -7.705   9.392
   69    H    ARG   9           HN       ARG   9 -21.023 -11.776   9.203
   70    HA   ARG   9           HA       ARG   9 -22.942 -10.533  10.783
   71    HB2  ARG   9           HB2      ARG   9 -23.011 -10.884   7.739
   72    HB3  ARG   9           HB1      ARG   9 -24.049  -9.751   8.672
   73    HG2  ARG   9           HG2      ARG   9 -22.468  -8.187   8.347
   74    HG3  ARG   9           HG1      ARG   9 -21.410  -9.119   9.472
   75    HD2  ARG   9           HD2      ARG   9 -20.327 -10.290   7.686
   76    HD3  ARG   9           HD1      ARG   9 -21.622  -9.840   6.496
   77    HE   ARG   9           HE       ARG   9 -20.410  -7.431   7.555
   78   HH11  ARG   9          HH11      ARG   9 -19.794 -10.219   5.426
   79   HH12  ARG   9          HH12      ARG   9 -18.704  -9.370   4.379
   80   HH21  ARG   9          HH21      ARG   9 -18.925  -6.281   6.135
   81   HH22  ARG   9          HH22      ARG   9 -18.199  -7.096   4.791
   82    H    GLN  10           HN       GLN  10 -22.908 -13.785   9.772
   83    HA   GLN  10           HA       GLN  10 -25.678 -13.763  10.560
   84    HB2  GLN  10           HB2      GLN  10 -26.402 -15.324   8.840
   85    HB3  GLN  10           HB1      GLN  10 -25.721 -13.865   8.055
   86    HG2  GLN  10           HG2      GLN  10 -23.756 -16.117   8.498
   87    HG3  GLN  10           HG1      GLN  10 -25.086 -16.467   7.330
   88   HE21  GLN  10          HE21      GLN  10 -23.611 -16.486   5.547
   89    H    PHE  11           HN       PHE  11 -23.019 -14.285  11.691
   90    HA   PHE  11           HA       PHE  11 -23.607 -17.001  12.553
   91    HB2  PHE  11           HB2      PHE  11 -21.454 -17.053  11.302
   92    HB3  PHE  11           HB1      PHE  11 -20.875 -15.682  12.301
   93    HD1  PHE  11           HD1      PHE  11 -21.120 -19.172  11.969
   94    HD2  PHE  11           HD2      PHE  11 -20.758 -15.995  14.772
   95    HE1  PHE  11           HE1      PHE  11 -20.255 -20.762  13.639
   96    HE2  PHE  11           HE2      PHE  11 -19.867 -17.590  16.445
   97    HZ   PHE  11           HZ       PHE  11 -19.619 -19.967  15.877
   98    H    ILE  12           HN       ILE  12 -22.042 -13.862  13.309
   99    HA   ILE  12           HA       ILE  12 -22.385 -14.435  16.093
  100    HB   ILE  12           HB       ILE  12 -22.003 -11.661  15.805
  101   HG12  ILE  12          HG12      ILE  12 -19.692 -11.894  14.548
  102   HG13  ILE  12          HG11      ILE  12 -20.654 -13.090  13.622
  103   HG21  ILE  12          HG21      ILE  12 -20.056 -13.965  16.499
  104   HG22  ILE  12          HG22      ILE  12 -21.026 -12.964  17.652
  105   HG23  ILE  12          HG23      ILE  12 -19.661 -12.220  16.737
  106   HD11  ILE  12          HD11      ILE  12 -21.002 -10.895  12.607
  107   HD12  ILE  12          HD12      ILE  12 -21.415 -10.182  14.206
  108   HD13  ILE  12          HD13      ILE  12 -22.510 -11.402  13.443
  109    H    LEU  13           HN       LEU  13 -23.893 -13.224  13.468
  110    HA   LEU  13           HA       LEU  13 -25.589 -11.504  14.949
  111    HB2  LEU  13           HB2      LEU  13 -24.351 -11.813  12.398
  112    HB3  LEU  13           HB1      LEU  13 -26.139 -11.520  12.181
  113    HG   LEU  13           HG       LEU  13 -26.018  -9.432  13.440
  114   HD11  LEU  13          HD11      LEU  13 -23.684 -10.656  14.702
  115   HD12  LEU  13          HD12      LEU  13 -24.538  -9.130  15.143
  116   HD13  LEU  13          HD13      LEU  13 -23.172  -9.090  13.966
  117   HD21  LEU  13          HD21      LEU  13 -24.871  -9.695  10.966
  118   HD22  LEU  13          HD22      LEU  13 -23.445  -9.069  11.882
  119   HD23  LEU  13          HD23      LEU  13 -24.982  -8.121  11.840
  120    H    GLN  14           HN       GLN  14 -25.321 -14.697  14.402
  121    HA   GLN  14           HA       GLN  14 -28.100 -15.084  14.883
  122    HB2  GLN  14           HB2      GLN  14 -26.724 -16.395  12.460
  123    HB3  GLN  14           HB1      GLN  14 -28.272 -16.976  13.170
  124    HG2  GLN  14           HG2      GLN  14 -29.321 -14.724  12.672
  125    HG3  GLN  14           HG1      GLN  14 -27.780 -14.215  11.872
  126   HE21  GLN  14          HE21      GLN  14 -28.567 -14.079   9.744
  127   HE22  GLN  14          HE22      GLN  14 -29.117 -15.448   8.839
  128    H    ARG  15           HN       ARG  15 -25.980 -15.012  16.462
  129    HA   ARG  15           HA       ARG  15 -24.852 -17.658  16.600
  130    HB2  ARG  15           HB2      ARG  15 -24.021 -15.025  17.302
  131    HB3  ARG  15           HB1      ARG  15 -24.231 -15.902  18.861
  132    HG2  ARG  15           HG2      ARG  15 -22.795 -17.801  17.900
  133    HG3  ARG  15           HG1      ARG  15 -22.451 -16.747  16.475
  134    HD2  ARG  15           HD2      ARG  15 -20.615 -16.191  17.806
  135    HD3  ARG  15           HD1      ARG  15 -21.805 -14.973  18.446
  136    HE   ARG  15           HE       ARG  15 -22.139 -17.377  19.957
  137   HH11  ARG  15          HH11      ARG  15 -19.700 -14.866  19.304
  138   HH12  ARG  15          HH12      ARG  15 -18.938 -14.986  20.854
  139   HH21  ARG  15          HH21      ARG  15 -21.109 -17.545  22.060
  140   HH22  ARG  15          HH22      ARG  15 -19.754 -16.537  22.451
  141    H    LYS  16           HN       LYS  16 -26.587 -18.994  17.179
  142    HA   LYS  16           HA       LYS  16 -28.383 -18.363  19.219
  143    HB2  LYS  16           HB2      LYS  16 -27.370 -21.091  18.241
  144    HB3  LYS  16           HB1      LYS  16 -28.734 -20.883  19.397
  145    HG2  LYS  16           HG2      LYS  16 -29.987 -19.564  17.681
  146    HG3  LYS  16           HG1      LYS  16 -28.625 -19.785  16.528
  147    HD2  LYS  16           HD2      LYS  16 -28.945 -22.264  16.616
  148    HD3  LYS  16           HD1      LYS  16 -30.298 -22.052  17.782
  149    HE2  LYS  16           HE2      LYS  16 -31.596 -20.771  16.054
  150    HE3  LYS  16           HE1      LYS  16 -30.230 -20.976  14.880
  151    HZ1  LYS  16           HZ1      LYS  16 -30.876 -23.477  15.957
  152    HZ2  LYS  16           HZ2      LYS  16 -31.049 -22.918  14.363
  153    HZ3  LYS  16           HZ3      LYS  16 -32.321 -22.730  15.471
  154    H    LYS  17           HN       LYS  17 -25.152 -19.857  19.148
  155    HA   LYS  17           HA       LYS  17 -25.045 -19.448  22.025
  156    HB2  LYS  17           HB2      LYS  17 -25.014 -22.133  20.665
  157    HB3  LYS  17           HB1      LYS  17 -23.672 -21.852  21.829
  158    HG2  LYS  17           HG2      LYS  17 -25.192 -22.681  23.333
  159    HG3  LYS  17           HG1      LYS  17 -25.742 -20.970  23.370
  160    HD2  LYS  17           HD2      LYS  17 -27.470 -21.503  21.616
  161    HD3  LYS  17           HD1      LYS  17 -26.934 -23.220  21.628
  162    HE2  LYS  17           HE2      LYS  17 -27.991 -21.745  24.132
  163    HE3  LYS  17           HE1      LYS  17 -29.018 -22.764  23.038
  164    HZ1  LYS  17           HZ1      LYS  17 -27.286 -23.547  25.115
  165    HZ2  LYS  17           HZ2      LYS  17 -26.745 -24.234  23.660
  166    HZ3  LYS  17           HZ3      LYS  17 -28.343 -24.487  24.175
  Start of MODEL    5
    1    H1   GLU   1           HT1      GLU   1  -8.201  -7.791   1.638
    2    H2   GLU   1           HT2      GLU   1  -8.597  -8.179   3.244
    3    H3   GLU   1           HT3      GLU   1  -8.515  -6.554   2.758
    4    HA   GLU   1           HA       GLU   1 -10.711  -6.764   2.642
    5    HB2  GLU   1           HB2      GLU   1  -9.870  -6.395   0.290
    6    HB3  GLU   1           HB1      GLU   1  -9.885  -8.176   0.039
    7    HG2  GLU   1           HG2      GLU   1 -12.369  -8.231   0.366
    8    HG3  GLU   1           HG1      GLU   1 -12.375  -6.449   0.678
    9    H    MET   2           HN       MET   2  -9.156  -9.915   1.846
   10    HA   MET   2           HA       MET   2  -9.714 -11.992   2.406
   11    HB2  MET   2           HB2      MET   2 -12.047 -10.860   4.054
   12    HB3  MET   2           HB1      MET   2 -11.418 -12.537   4.119
   13    HG2  MET   2           HG2      MET   2  -9.201 -11.658   4.935
   14    HG3  MET   2           HG1      MET   2  -9.889 -10.003   4.953
   15    HE1  MET   2           HE1      MET   2 -11.695  -9.225   5.976
   16    HE2  MET   2           HE2      MET   2 -12.163  -9.565   7.678
   17    HE3  MET   2           HE3      MET   2 -13.005 -10.405   6.331
   18    H    ARG   3           HN       ARG   3 -11.937 -13.499   2.478
   19    HA   ARG   3           HA       ARG   3 -13.746 -12.401   0.512
   20    HB2  ARG   3           HB2      ARG   3 -12.046 -13.826  -0.751
   21    HB3  ARG   3           HB1      ARG   3 -12.473 -15.194   0.339
   22    HG2  ARG   3           HG2      ARG   3 -14.797 -13.875  -1.026
   23    HG3  ARG   3           HG1      ARG   3 -13.643 -14.713  -2.119
   24    HD2  ARG   3           HD2      ARG   3 -13.908 -16.837  -0.815
   25    HD3  ARG   3           HD1      ARG   3 -15.035 -15.994   0.340
   26    HE   ARG   3           HE       ARG   3 -15.948 -15.674  -2.405
   27   HH11  ARG   3          HH11      ARG   3 -15.651 -17.986   0.290
   28   HH12  ARG   3          HH12      ARG   3 -17.032 -18.929  -0.161
   29   HH21  ARG   3          HH21      ARG   3 -17.828 -16.955  -3.021
   30   HH22  ARG   3          HH22      ARG   3 -18.290 -18.331  -2.078
   31    H    LEU   4           HN       LEU   4 -15.704 -12.489   1.597
   32    HA   LEU   4           HA       LEU   4 -16.300 -15.039   2.793
   33    HB2  LEU   4           HB2      LEU   4 -16.242 -12.417   4.356
   34    HB3  LEU   4           HB1      LEU   4 -17.365 -13.749   4.819
   35    HG   LEU   4           HG       LEU   4 -14.335 -14.015   4.511
   36   HD11  LEU   4          HD11      LEU   4 -14.538 -12.720   6.472
   37   HD12  LEU   4          HD12      LEU   4 -14.534 -14.405   7.116
   38   HD13  LEU   4          HD13      LEU   4 -16.086 -13.503   6.965
   39   HD21  LEU   4          HD21      LEU   4 -14.816 -16.222   4.296
   40   HD22  LEU   4          HD22      LEU   4 -16.545 -15.987   4.768
   41   HD23  LEU   4          HD23      LEU   4 -15.275 -16.189   6.042
   42    H    SER   5           HN       SER   5 -18.639 -15.120   3.513
   43    HA   SER   5           HA       SER   5 -20.253 -13.332   1.878
   44    HB2  SER   5           HB2      SER   5 -19.711 -15.628   0.690
   45    HB3  SER   5           HB1      SER   5 -20.729 -16.366   1.984
   46    HG   SER   5           HG       SER   5 -21.414 -14.742  -0.171
   47    H    DPP   6           HN       DPP   6 -22.606 -15.262   2.581
   48    HA   DPP   6           HA       DPP   6 -22.995 -14.042   5.130
   49    HB2  DPP   6           HB2      DPP   6 -24.755 -15.998   3.532
   50    HB3  DPP   6           HB3      DPP   6 -25.076 -14.259   3.878
   51    H    PHE   7           HN       PHE   7 -21.265 -14.821   6.293
   52    HA   PHE   7           HA       PHE   7 -21.765 -17.519   7.353
   53    HB2  PHE   7           HB2      PHE   7 -19.510 -17.985   6.659
   54    HB3  PHE   7           HB1      PHE   7 -19.135 -16.219   6.471
   55    HD1  PHE   7           HD1      PHE   7 -20.388 -18.037   9.511
   56    HD2  PHE   7           HD2      PHE   7 -17.186 -15.916   7.673
   57    HE1  PHE   7           HE1      PHE   7 -19.300 -17.828  11.691
   58    HE2  PHE   7           HE2      PHE   7 -16.056 -15.794   9.858
   59    HZ   PHE   7           HZ       PHE   7 -17.088 -16.768  11.851
   60    H    PHE   8           HN       PHE   8 -19.592 -14.865   8.099
   61    HA   PHE   8           HA       PHE   8 -20.338 -14.890  10.770
   62    HB2  PHE   8           HB2      PHE   8 -18.519 -13.390  11.048
   63    HB3  PHE   8           HB1      PHE   8 -18.056 -14.386   9.670
   64    HD1  PHE   8           HD1      PHE   8 -18.224 -11.246  10.924
   65    HD2  PHE   8           HD2      PHE   8 -18.849 -13.486   7.400
   66    HE1  PHE   8           HE1      PHE   8 -17.937  -9.265   9.644
   67    HE2  PHE   8           HE2      PHE   8 -18.555 -11.518   6.070
   68    HZ   PHE   8           HZ       PHE   8 -18.079  -9.363   7.189
   69    H    ARG   9           HN       ARG   9 -21.204 -12.763   8.022
   70    HA   ARG   9           HA       ARG   9 -22.257 -10.907   9.788
   71    HB2  ARG   9           HB2      ARG   9 -22.885 -11.556   6.872
   72    HB3  ARG   9           HB1      ARG   9 -23.849 -10.321   7.752
   73    HG2  ARG   9           HG2      ARG   9 -22.284  -8.800   7.209
   74    HG3  ARG   9           HG1      ARG   9 -21.131  -9.668   8.284
   75    HD2  ARG   9           HD2      ARG   9 -20.028  -9.583   6.147
   76    HD3  ARG   9           HD1      ARG   9 -20.718 -11.270   6.226
   77    HE   ARG   9           HE       ARG   9 -22.676  -9.523   5.029
   78   HH11  ARG   9          HH11      ARG   9 -19.452 -10.914   4.428
   79   HH12  ARG   9          HH12      ARG   9 -19.621 -10.957   2.705
   80   HH21  ARG   9          HH21      ARG   9 -22.908  -9.578   2.689
   81   HH22  ARG   9          HH22      ARG   9 -21.622 -10.183   1.699
   82    H    GLN  10           HN       GLN  10 -23.340 -14.117   9.225
   83    HA   GLN  10           HA       GLN  10 -25.648 -13.291  10.736
   84    HB2  GLN  10           HB2      GLN  10 -27.207 -14.680   9.470
   85    HB3  GLN  10           HB1      GLN  10 -26.475 -13.444   8.401
   86    HG2  GLN  10           HG2      GLN  10 -25.090 -16.143   8.463
   87    HG3  GLN  10           HG1      GLN  10 -26.723 -16.094   7.697
   88   HE21  GLN  10          HE21      GLN  10 -25.789 -16.503   5.599
   89    H    PHE  11           HN       PHE  11 -23.023 -14.468  11.213
   90    HA   PHE  11           HA       PHE  11 -24.013 -16.887  12.494
   91    HB2  PHE  11           HB2      PHE  11 -22.377 -17.577  10.747
   92    HB3  PHE  11           HB1      PHE  11 -21.216 -16.378  11.403
   93    HD1  PHE  11           HD1      PHE  11 -22.407 -19.680  11.534
   94    HD2  PHE  11           HD2      PHE  11 -20.515 -16.613  13.789
   95    HE1  PHE  11           HE1      PHE  11 -21.546 -21.378  13.092
   96    HE2  PHE  11           HE2      PHE  11 -19.628 -18.324  15.345
   97    HZ   PHE  11           HZ       PHE  11 -20.147 -20.701  14.995
   98    H    ILE  12           HN       ILE  12 -21.566 -14.262  12.468
   99    HA   ILE  12           HA       ILE  12 -21.230 -14.605  15.288
  100    HB   ILE  12           HB       ILE  12 -20.356 -12.010  14.599
  101   HG12  ILE  12          HG12      ILE  12 -18.593 -12.867  12.824
  102   HG13  ILE  12          HG11      ILE  12 -20.024 -13.822  12.320
  103   HG21  ILE  12          HG21      ILE  12 -18.830 -14.669  15.022
  104   HG22  ILE  12          HG22      ILE  12 -19.209 -13.413  16.268
  105   HG23  ILE  12          HG23      ILE  12 -18.026 -13.054  14.954
  106   HD11  ILE  12          HD11      ILE  12 -19.899 -10.790  12.745
  107   HD12  ILE  12          HD12      ILE  12 -21.415 -11.728  12.445
  108   HD13  ILE  12          HD13      ILE  12 -20.131 -11.664  11.187
  109    H    LEU  13           HN       LEU  13 -23.114 -13.184  13.044
  110    HA   LEU  13           HA       LEU  13 -23.899 -11.051  14.733
  111    HB2  LEU  13           HB2      LEU  13 -23.510 -11.734  11.982
  112    HB3  LEU  13           HB1      LEU  13 -25.149 -10.970  12.217
  113    HG   LEU  13           HG       LEU  13 -24.216  -8.934  13.027
  114   HD11  LEU  13          HD11      LEU  13 -22.668  -9.255  14.714
  115   HD12  LEU  13          HD12      LEU  13 -21.464  -9.027  13.390
  116   HD13  LEU  13          HD13      LEU  13 -21.913 -10.690  13.923
  117   HD21  LEU  13          HD21      LEU  13 -21.914  -9.668  11.144
  118   HD22  LEU  13          HD22      LEU  13 -22.851  -8.130  11.271
  119   HD23  LEU  13          HD23      LEU  13 -23.612  -9.587  10.526
  120    H    GLN  14           HN       GLN  14 -24.504 -14.214  14.512
  121    HA   GLN  14           HA       GLN  14 -27.082 -13.872  15.662
  122    HB2  GLN  14           HB2      GLN  14 -26.687 -15.652  13.184
  123    HB3  GLN  14           HB1      GLN  14 -28.111 -15.754  14.280
  124    HG2  GLN  14           HG2      GLN  14 -28.670 -13.339  13.731
  125    HG3  GLN  14           HG1      GLN  14 -27.301 -13.325  12.548
  126   HE21  GLN  14          HE21      GLN  14 -28.828 -12.967  10.799
  127   HE22  GLN  14          HE22      GLN  14 -29.792 -14.262  10.173
  128    H    ARG  15           HN       ARG  15 -24.579 -14.271  16.611
  129    HA   ARG  15           HA       ARG  15 -24.147 -17.106  16.841
  130    HB2  ARG  15           HB2      ARG  15 -22.563 -14.721  17.001
  131    HB3  ARG  15           HB1      ARG  15 -22.510 -15.483  18.630
  132    HG2  ARG  15           HG2      ARG  15 -21.850 -17.688  17.519
  133    HG3  ARG  15           HG1      ARG  15 -21.755 -16.821  15.941
  134    HD2  ARG  15           HD2      ARG  15 -19.521 -16.650  16.601
  135    HD3  ARG  15           HD1      ARG  15 -20.167 -15.153  17.406
  136    HE   ARG  15           HE       ARG  15 -20.508 -17.296  19.253
  137   HH11  ARG  15          HH11      ARG  15 -17.909 -15.572  17.533
  138   HH12  ARG  15          HH12      ARG  15 -16.723 -15.796  18.775
  139   HH21  ARG  15          HH21      ARG  15 -18.898 -17.600  20.951
  140   HH22  ARG  15          HH22      ARG  15 -17.296 -16.972  20.755
  141    H    LYS  16           HN       LYS  16 -26.054 -17.780  17.978
  142    HA   LYS  16           HA       LYS  16 -26.469 -16.516  20.561
  143    HB2  LYS  16           HB2      LYS  16 -27.912 -18.903  19.263
  144    HB3  LYS  16           HB1      LYS  16 -28.429 -18.038  20.756
  145    HG2  LYS  16           HG2      LYS  16 -28.759 -15.946  19.450
  146    HG3  LYS  16           HG1      LYS  16 -28.204 -16.781  17.959
  147    HD2  LYS  16           HD2      LYS  16 -30.617 -16.746  17.880
  148    HD3  LYS  16           HD1      LYS  16 -30.137 -18.434  18.265
  149    HE2  LYS  16           HE2      LYS  16 -30.659 -18.065  20.678
  150    HE3  LYS  16           HE1      LYS  16 -31.066 -16.330  20.338
  151    HZ1  LYS  16           HZ1      LYS  16 -32.696 -18.578  20.146
  152    HZ2  LYS  16           HZ2      LYS  16 -32.485 -17.987  18.569
  153    HZ3  LYS  16           HZ3      LYS  16 -33.069 -16.960  19.789
  154    H    LYS  17           HN       LYS  17 -24.462 -18.810  19.168
  155    HA   LYS  17           HA       LYS  17 -23.143 -20.384  20.030
  156    HB2  LYS  17           HB2      LYS  17 -24.054 -19.411  22.804
  157    HB3  LYS  17           HB1      LYS  17 -22.596 -20.402  22.448
  158    HG2  LYS  17           HG2      LYS  17 -21.386 -18.607  21.612
  159    HG3  LYS  17           HG1      LYS  17 -22.841 -17.750  20.999
  160    HD2  LYS  17           HD2      LYS  17 -21.892 -16.492  22.867
  161    HD3  LYS  17           HD1      LYS  17 -23.481 -17.177  23.357
  162    HE2  LYS  17           HE2      LYS  17 -22.325 -19.015  24.605
  163    HE3  LYS  17           HE1      LYS  17 -20.714 -18.378  24.070
  164    HZ1  LYS  17           HZ1      LYS  17 -22.308 -17.588  26.235
  165    HZ2  LYS  17           HZ2      LYS  17 -22.164 -16.269  25.177
  166    HZ3  LYS  17           HZ3      LYS  17 -20.771 -17.034  25.773
  Start of MODEL    6
    1    H1   GLU   1           HT1      GLU   1 -16.167 -10.671   0.629
    2    H2   GLU   1           HT2      GLU   1 -15.392 -10.925  -0.861
    3    H3   GLU   1           HT3      GLU   1 -16.654  -9.795  -0.741
    4    HA   GLU   1           HA       GLU   1 -14.970  -8.365  -0.647
    5    HB2  GLU   1           HB2      GLU   1 -15.178  -9.459   2.214
    6    HB3  GLU   1           HB1      GLU   1 -14.268  -7.960   1.809
    7    HG2  GLU   1           HG2      GLU   1 -16.340  -6.878   0.949
    8    HG3  GLU   1           HG1      GLU   1 -17.279  -8.395   1.243
    9    H    MET   2           HN       MET   2 -13.865 -11.221   1.353
   10    HA   MET   2           HA       MET   2 -11.387 -11.093  -0.163
   11    HB2  MET   2           HB2      MET   2 -11.516 -11.061   2.913
   12    HB3  MET   2           HB1      MET   2 -10.037 -11.474   1.964
   13    HG2  MET   2           HG2      MET   2 -10.011  -9.225   0.947
   14    HG3  MET   2           HG1      MET   2 -11.539  -8.796   1.777
   15    HE1  MET   2           HE1      MET   2  -8.197 -10.762   3.211
   16    HE2  MET   2           HE2      MET   2  -7.258  -9.239   3.383
   17    HE3  MET   2           HE3      MET   2  -7.965  -9.683   1.791
   18    H    ARG   3           HN       ARG   3 -10.939 -12.927   2.640
   19    HA   ARG   3           HA       ARG   3 -11.373 -15.298   1.157
   20    HB2  ARG   3           HB2      ARG   3 -10.468 -16.493   3.094
   21    HB3  ARG   3           HB1      ARG   3  -9.450 -15.044   2.790
   22    HG2  ARG   3           HG2      ARG   3 -10.805 -13.804   4.563
   23    HG3  ARG   3           HG1      ARG   3 -11.638 -15.353   4.934
   24    HD2  ARG   3           HD2      ARG   3  -9.809 -15.078   6.556
   25    HD3  ARG   3           HD1      ARG   3  -9.302 -16.379   5.393
   26    HE   ARG   3           HE       ARG   3  -7.627 -14.929   4.554
   27   HH11  ARG   3          HH11      ARG   3  -9.922 -13.169   6.641
   28   HH12  ARG   3          HH12      ARG   3  -8.986 -11.713   6.699
   29   HH21  ARG   3          HH21      ARG   3  -6.358 -12.952   4.642
   30   HH22  ARG   3          HH22      ARG   3  -6.928 -11.588   5.544
   31    H    LEU   4           HN       LEU   4 -13.322 -13.217   3.020
   32    HA   LEU   4           HA       LEU   4 -15.294 -15.344   3.292
   33    HB2  LEU   4           HB2      LEU   4 -15.949 -14.575   5.541
   34    HB3  LEU   4           HB1      LEU   4 -14.210 -15.034   5.566
   35    HG   LEU   4           HG       LEU   4 -14.186 -12.316   4.799
   36   HD11  LEU   4          HD11      LEU   4 -15.494 -11.153   6.604
   37   HD12  LEU   4          HD12      LEU   4 -16.256 -12.731   7.042
   38   HD13  LEU   4          HD13      LEU   4 -16.547 -12.011   5.409
   39   HD21  LEU   4          HD21      LEU   4 -13.502 -13.885   7.307
   40   HD22  LEU   4          HD22      LEU   4 -13.474 -12.082   7.382
   41   HD23  LEU   4          HD23      LEU   4 -12.440 -12.953   6.184
   42    H    SER   5           HN       SER   5 -17.495 -14.145   3.993
   43    HA   SER   5           HA       SER   5 -17.564 -11.435   3.035
   44    HB2  SER   5           HB2      SER   5 -19.093 -13.687   1.604
   45    HB3  SER   5           HB1      SER   5 -19.477 -11.931   1.425
   46    HG   SER   5           HG       SER   5 -16.829 -12.521   1.090
   47    H    DPP   6           HN       DPP   6 -19.769 -14.301   3.568
   48    HA   DPP   6           HA       DPP   6 -21.435 -12.564   5.157
   49    HB2  DPP   6           HB2      DPP   6 -21.677 -15.369   3.978
   50    HB3  DPP   6           HB3      DPP   6 -22.896 -14.043   4.003
   51    H    PHE   7           HN       PHE   7 -20.755 -15.941   6.130
   52    HA   PHE   7           HA       PHE   7 -20.077 -16.767   8.052
   53    HB2  PHE   7           HB2      PHE   7 -17.731 -16.449   7.593
   54    HB3  PHE   7           HB1      PHE   7 -17.899 -14.642   7.581
   55    HD1  PHE   7           HD1      PHE   7 -19.217 -16.859  10.291
   56    HD2  PHE   7           HD2      PHE   7 -16.167 -14.131   9.091
   57    HE1  PHE   7           HE1      PHE   7 -18.615 -16.543  12.641
   58    HE2  PHE   7           HE2      PHE   7 -15.483 -13.915  11.448
   59    HZ   PHE   7           HZ       PHE   7 -16.687 -15.117  13.210
   60    H    PHE   8           HN       PHE   8 -18.880 -13.656   9.074
   61    HA   PHE   8           HA       PHE   8 -20.155 -13.996  11.502
   62    HB2  PHE   8           HB2      PHE   8 -18.766 -12.251  12.248
   63    HB3  PHE   8           HB1      PHE   8 -17.848 -12.989  10.931
   64    HD1  PHE   8           HD1      PHE   8 -18.855 -10.083  12.336
   65    HD2  PHE   8           HD2      PHE   8 -18.394 -12.010   8.610
   66    HE1  PHE   8           HE1      PHE   8 -18.751  -7.957  11.275
   67    HE2  PHE   8           HE2      PHE   8 -18.266  -9.890   7.514
   68    HZ   PHE   8           HZ       PHE   8 -18.436  -7.832   8.833
   69    H    ARG   9           HN       ARG   9 -20.900 -11.662   8.811
   70    HA   ARG   9           HA       ARG   9 -22.682 -10.429  10.590
   71    HB2  ARG   9           HB2      ARG   9 -23.940  -9.718   8.332
   72    HB3  ARG   9           HB1      ARG   9 -22.356  -8.996   8.766
   73    HG2  ARG   9           HG2      ARG   9 -22.112 -11.538   7.224
   74    HG3  ARG   9           HG1      ARG   9 -22.993 -10.242   6.346
   75    HD2  ARG   9           HD2      ARG   9 -20.655  -9.066   7.674
   76    HD3  ARG   9           HD1      ARG   9 -20.138 -10.508   6.686
   77    HE   ARG   9           HE       ARG   9 -21.927  -9.085   5.032
   78   HH11  ARG   9          HH11      ARG   9 -18.916  -8.394   6.804
   79   HH12  ARG   9          HH12      ARG   9 -18.344  -7.210   5.676
   80   HH21  ARG   9          HH21      ARG   9 -21.151  -7.472   3.506
   81   HH22  ARG   9          HH22      ARG   9 -19.633  -6.679   3.771
   82    H    GLN  10           HN       GLN  10 -22.805 -13.587   9.689
   83    HA   GLN  10           HA       GLN  10 -25.574 -13.511  10.404
   84    HB2  GLN  10           HB2      GLN  10 -26.263 -15.120   8.677
   85    HB3  GLN  10           HB1      GLN  10 -25.617 -13.638   7.905
   86    HG2  GLN  10           HG2      GLN  10 -23.589 -15.825   8.397
   87    HG3  GLN  10           HG1      GLN  10 -24.870 -16.209   7.189
   88   HE21  GLN  10          HE21      GLN  10 -22.836 -16.233   5.820
   89    H    PHE  11           HN       PHE  11 -22.796 -14.166  11.430
   90    HA   PHE  11           HA       PHE  11 -23.517 -16.837  12.344
   91    HB2  PHE  11           HB2      PHE  11 -21.451 -17.083  11.007
   92    HB3  PHE  11           HB1      PHE  11 -20.729 -15.701  11.892
   93    HD1  PHE  11           HD1      PHE  11 -21.214 -19.195  11.789
   94    HD2  PHE  11           HD2      PHE  11 -20.429 -15.900  14.360
   95    HE1  PHE  11           HE1      PHE  11 -20.298 -20.737  13.466
   96    HE2  PHE  11           HE2      PHE  11 -19.488 -17.452  16.037
   97    HZ   PHE  11           HZ       PHE  11 -19.427 -19.867  15.592
   98    H    ILE  12           HN       ILE  12 -21.777 -13.777  12.986
   99    HA   ILE  12           HA       ILE  12 -21.958 -14.344  15.790
  100    HB   ILE  12           HB       ILE  12 -21.443 -11.597  15.469
  101   HG12  ILE  12          HG12      ILE  12 -19.239 -11.948  14.059
  102   HG13  ILE  12          HG11      ILE  12 -20.315 -13.101  13.205
  103   HG21  ILE  12          HG21      ILE  12 -19.068 -12.297  16.231
  104   HG22  ILE  12          HG22      ILE  12 -19.606 -14.012  16.065
  105   HG23  ILE  12          HG23      ILE  12 -20.415 -12.919  17.258
  106   HD11  ILE  12          HD11      ILE  12 -20.628 -10.895  12.208
  107   HD12  ILE  12          HD12      ILE  12 -20.898 -10.159  13.826
  108   HD13  ILE  12          HD13      ILE  12 -22.100 -11.329  13.146
  109    H    LEU  13           HN       LEU  13 -23.607 -13.138  13.267
  110    HA   LEU  13           HA       LEU  13 -25.116 -11.314  14.841
  111    HB2  LEU  13           HB2      LEU  13 -24.039 -11.647  12.222
  112    HB3  LEU  13           HB1      LEU  13 -25.826 -11.302  12.103
  113    HG   LEU  13           HG       LEU  13 -25.559  -9.249  13.440
  114   HD11  LEU  13          HD11      LEU  13 -23.846  -8.905  14.901
  115   HD12  LEU  13          HD12      LEU  13 -22.620  -9.060  13.588
  116   HD13  LEU  13          HD13      LEU  13 -23.188 -10.530  14.465
  117   HD21  LEU  13          HD21      LEU  13 -23.192  -8.856  11.605
  118   HD22  LEU  13          HD22      LEU  13 -24.741  -7.935  11.735
  119   HD23  LEU  13          HD23      LEU  13 -24.698  -9.500  10.840
  120    H    GLN  14           HN       GLN  14 -25.011 -14.510  14.279
  121    HA   GLN  14           HA       GLN  14 -27.775 -14.782  14.909
  122    HB2  GLN  14           HB2      GLN  14 -26.576 -16.188  12.446
  123    HB3  GLN  14           HB1      GLN  14 -28.127 -16.662  13.225
  124    HG2  GLN  14           HG2      GLN  14 -29.066 -14.371  12.719
  125    HG3  GLN  14           HG1      GLN  14 -27.527 -13.953  11.867
  126   HE21  GLN  14          HE21      GLN  14 -28.307 -13.826   9.746
  127   HE22  GLN  14          HE22      GLN  14 -28.976 -15.169   8.884
  128    H    ARG  15           HN       ARG  15 -25.550 -14.785  16.361
  129    HA   ARG  15           HA       ARG  15 -24.505 -17.458  16.451
  130    HB2  ARG  15           HB2      ARG  15 -23.573 -14.855  17.116
  131    HB3  ARG  15           HB1      ARG  15 -23.742 -15.720  18.686
  132    HG2  ARG  15           HG2      ARG  15 -22.404 -17.663  17.677
  133    HG3  ARG  15           HG1      ARG  15 -22.096 -16.627  16.230
  134    HD2  ARG  15           HD2      ARG  15 -20.181 -16.138  17.487
  135    HD3  ARG  15           HD1      ARG  15 -21.298 -14.857  18.135
  136    HE   ARG  15           HE       ARG  15 -21.676 -17.210  19.718
  137   HH11  ARG  15          HH11      ARG  15 -19.164 -14.814  18.917
  138   HH12  ARG  15          HH12      ARG  15 -18.357 -14.924  20.445
  139   HH21  ARG  15          HH21      ARG  15 -20.586 -17.361  21.791
  140   HH22  ARG  15          HH22      ARG  15 -19.180 -16.398  22.110
  141    H    LYS  16           HN       LYS  16 -26.287 -18.731  17.077
  142    HA   LYS  16           HA       LYS  16 -27.928 -18.071  19.239
  143    HB2  LYS  16           HB2      LYS  16 -27.130 -20.809  18.105
  144    HB3  LYS  16           HB1      LYS  16 -28.407 -20.575  19.352
  145    HG2  LYS  16           HG2      LYS  16 -29.683 -19.118  17.766
  146    HG3  LYS  16           HG1      LYS  16 -28.412 -19.374  16.522
  147    HD2  LYS  16           HD2      LYS  16 -28.883 -21.819  16.513
  148    HD3  LYS  16           HD1      LYS  16 -30.107 -21.605  17.810
  149    HE2  LYS  16           HE2      LYS  16 -31.232 -21.791  15.601
  150    HE3  LYS  16           HE1      LYS  16 -31.450 -20.111  16.245
  151    HZ1  LYS  16           HZ1      LYS  16 -30.376 -20.886  13.825
  152    HZ2  LYS  16           HZ2      LYS  16 -29.061 -20.313  14.735
  153    HZ3  LYS  16           HZ3      LYS  16 -30.423 -19.327  14.496
  154    H    LYS  17           HN       LYS  17 -24.798 -19.728  18.918
  155    HA   LYS  17           HA       LYS  17 -24.625 -19.629  21.848
  156    HB2  LYS  17           HB2      LYS  17 -24.316 -22.006  20.038
  157    HB3  LYS  17           HB1      LYS  17 -22.951 -21.760  21.181
  158    HG2  LYS  17           HG2      LYS  17 -24.483 -23.227  22.294
  159    HG3  LYS  17           HG1      LYS  17 -24.686 -21.619  23.071
  160    HD2  LYS  17           HD2      LYS  17 -26.733 -21.192  21.736
  161    HD3  LYS  17           HD1      LYS  17 -26.502 -22.732  20.840
  162    HE2  LYS  17           HE2      LYS  17 -26.805 -24.027  22.975
  163    HE3  LYS  17           HE1      LYS  17 -27.036 -22.472  23.879
  164    HZ1  LYS  17           HZ1      LYS  17 -29.125 -23.419  23.322
  165    HZ2  LYS  17           HZ2      LYS  17 -28.726 -23.538  21.676
  166    HZ3  LYS  17           HZ3      LYS  17 -28.914 -22.012  22.396
  Start of MODEL    7
    1    H1   GLU   1           HT1      GLU   1  -9.353 -10.688  -1.393
    2    H2   GLU   1           HT2      GLU   1  -8.373  -9.613  -2.268
    3    H3   GLU   1           HT3      GLU   1 -10.032  -9.720  -2.613
    4    HA   GLU   1           HA       GLU   1  -8.647  -8.266  -0.563
    5    HB2  GLU   1           HB2      GLU   1 -10.028  -7.245  -2.422
    6    HB3  GLU   1           HB1      GLU   1 -11.480  -8.059  -1.741
    7    HG2  GLU   1           HG2      GLU   1 -11.256  -6.744   0.381
    8    HG3  GLU   1           HG1      GLU   1  -9.765  -5.949  -0.260
    9    H    MET   2           HN       MET   2 -11.433 -10.549  -0.784
   10    HA   MET   2           HA       MET   2 -11.411 -10.568   2.146
   11    HB2  MET   2           HB2      MET   2 -13.898 -10.675   0.347
   12    HB3  MET   2           HB1      MET   2 -13.891 -11.018   2.111
   13    HG2  MET   2           HG2      MET   2 -13.150  -8.700   2.594
   14    HG3  MET   2           HG1      MET   2 -13.059  -8.339   0.842
   15    HE1  MET   2           HE1      MET   2 -15.991 -10.331   3.015
   16    HE2  MET   2           HE2      MET   2 -16.645  -8.787   3.660
   17    HE3  MET   2           HE3      MET   2 -14.911  -9.193   3.893
   18    H    ARG   3           HN       ARG   3 -12.246 -12.644   3.025
   19    HA   ARG   3           HA       ARG   3 -12.066 -14.733   0.992
   20    HB2  ARG   3           HB2      ARG   3 -11.110 -16.221   2.843
   21    HB3  ARG   3           HB1      ARG   3  -9.998 -14.924   2.288
   22    HG2  ARG   3           HG2      ARG   3 -10.551 -13.523   4.222
   23    HG3  ARG   3           HG1      ARG   3 -11.838 -14.664   4.742
   24    HD2  ARG   3           HD2      ARG   3  -8.834 -15.401   4.576
   25    HD3  ARG   3           HD1      ARG   3  -9.705 -14.897   6.094
   26    HE   ARG   3           HE       ARG   3 -11.210 -17.021   4.924
   27   HH11  ARG   3          HH11      ARG   3  -7.987 -16.391   6.303
   28   HH12  ARG   3          HH12      ARG   3  -7.761 -17.998   6.906
   29   HH21  ARG   3          HH21      ARG   3 -10.903 -19.208   5.744
   30   HH22  ARG   3          HH22      ARG   3  -9.447 -19.628   6.582
   31    H    LEU   4           HN       LEU   4 -14.331 -13.174   2.155
   32    HA   LEU   4           HA       LEU   4 -15.972 -15.390   2.778
   33    HB2  LEU   4           HB2      LEU   4 -16.722 -14.622   5.035
   34    HB3  LEU   4           HB1      LEU   4 -14.989 -15.096   5.065
   35    HG   LEU   4           HG       LEU   4 -14.829 -12.403   4.385
   36   HD11  LEU   4          HD11      LEU   4 -17.168 -11.882   4.720
   37   HD12  LEU   4          HD12      LEU   4 -16.272 -11.223   6.148
   38   HD13  LEU   4          HD13      LEU   4 -17.211 -12.760   6.298
   39   HD21  LEU   4          HD21      LEU   4 -13.373 -13.545   6.005
   40   HD22  LEU   4          HD22      LEU   4 -14.734 -13.690   7.183
   41   HD23  LEU   4          HD23      LEU   4 -14.075 -12.064   6.763
   42    H    SER   5           HN       SER   5 -18.250 -14.287   3.582
   43    HA   SER   5           HA       SER   5 -18.462 -11.627   2.474
   44    HB2  SER   5           HB2      SER   5 -19.922 -14.066   1.318
   45    HB3  SER   5           HB1      SER   5 -20.587 -12.390   1.170
   46    HG   SER   5           HG       SER   5 -17.935 -12.605   0.518
   47    H    DPP   6           HN       DPP   6 -20.733 -14.384   3.284
   48    HA   DPP   6           HA       DPP   6 -22.022 -12.528   5.076
   49    HB2  DPP   6           HB2      DPP   6 -22.735 -15.519   4.877
   50    HB3  DPP   6           HB3      DPP   6 -23.293 -14.354   3.623
   51    H    PHE   7           HN       PHE   7 -21.903 -15.864   6.151
   52    HA   PHE   7           HA       PHE   7 -20.883 -16.854   7.847
   53    HB2  PHE   7           HB2      PHE   7 -18.562 -16.651   7.262
   54    HB3  PHE   7           HB1      PHE   7 -18.660 -14.843   7.155
   55    HD1  PHE   7           HD1      PHE   7 -19.736 -16.986  10.040
   56    HD2  PHE   7           HD2      PHE   7 -16.894 -14.189   8.532
   57    HE1  PHE   7           HE1      PHE   7 -18.931 -16.605  12.324
   58    HE2  PHE   7           HE2      PHE   7 -16.034 -13.881  10.819
   59    HZ   PHE   7           HZ       PHE   7 -17.025 -15.097  12.698
   60    H    PHE   8           HN       PHE   8 -19.547 -13.740   8.754
   61    HA   PHE   8           HA       PHE   8 -20.567 -14.059  11.304
   62    HB2  PHE   8           HB2      PHE   8 -19.206 -12.205  11.868
   63    HB3  PHE   8           HB1      PHE   8 -18.365 -12.963  10.508
   64    HD1  PHE   8           HD1      PHE   8 -19.460 -10.036  11.858
   65    HD2  PHE   8           HD2      PHE   8 -19.090 -12.127   8.221
   66    HE1  PHE   8           HE1      PHE   8 -19.590  -7.975  10.688
   67    HE2  PHE   8           HE2      PHE   8 -19.200 -10.075   7.000
   68    HZ   PHE   8           HZ       PHE   8 -19.443  -7.964   8.226
   69    H    ARG   9           HN       ARG   9 -21.641 -11.818   8.650
   70    HA   ARG   9           HA       ARG   9 -23.343 -10.634  10.526
   71    HB2  ARG   9           HB2      ARG   9 -24.796 -10.005   8.401
   72    HB3  ARG   9           HB1      ARG   9 -23.165  -9.280   8.599
   73    HG2  ARG   9           HG2      ARG   9 -23.128 -11.898   7.171
   74    HG3  ARG   9           HG1      ARG   9 -24.100 -10.635   6.340
   75    HD2  ARG   9           HD2      ARG   9 -21.659  -9.369   7.280
   76    HD3  ARG   9           HD1      ARG   9 -21.198 -10.913   6.428
   77    HE   ARG   9           HE       ARG   9 -23.082  -9.804   4.716
   78   HH11  ARG   9          HH11      ARG   9 -20.173  -8.549   6.343
   79   HH12  ARG   9          HH12      ARG   9 -19.782  -7.410   5.099
   80   HH21  ARG   9          HH21      ARG   9 -22.550  -8.258   3.028
   81   HH22  ARG   9          HH22      ARG   9 -21.157  -7.242   3.184
   82    H    GLN  10           HN       GLN  10 -23.391 -13.841   9.678
   83    HA   GLN  10           HA       GLN  10 -26.135 -13.850  10.558
   84    HB2  GLN  10           HB2      GLN  10 -25.456 -16.001   8.579
   85    HB3  GLN  10           HB1      GLN  10 -27.011 -15.145   8.835
   86    HG2  GLN  10           HG2      GLN  10 -26.605 -14.076   6.855
   87    HG3  GLN  10           HG1      GLN  10 -25.358 -13.132   7.744
   88   HE21  GLN  10          HE21      GLN  10 -24.421 -13.048   5.480
   89    H    PHE  11           HN       PHE  11 -23.224 -14.336  11.396
   90    HA   PHE  11           HA       PHE  11 -23.777 -16.986  12.498
   91    HB2  PHE  11           HB2      PHE  11 -21.812 -17.158  10.986
   92    HB3  PHE  11           HB1      PHE  11 -21.071 -15.758  11.832
   93    HD1  PHE  11           HD1      PHE  11 -21.474 -19.265  11.742
   94    HD2  PHE  11           HD2      PHE  11 -20.600 -15.952  14.258
   95    HE1  PHE  11           HE1      PHE  11 -20.400 -20.785  13.348
   96    HE2  PHE  11           HE2      PHE  11 -19.499 -17.479  15.864
   97    HZ   PHE  11           HZ       PHE  11 -19.405 -19.891  15.411
   98    H    ILE  12           HN       ILE  12 -22.098 -13.845  12.900
   99    HA   ILE  12           HA       ILE  12 -22.038 -14.331  15.728
  100    HB   ILE  12           HB       ILE  12 -21.658 -11.577  15.274
  101   HG12  ILE  12          HG12      ILE  12 -19.548 -11.888  13.727
  102   HG13  ILE  12          HG11      ILE  12 -20.621 -13.133  13.000
  103   HG21  ILE  12          HG21      ILE  12 -19.692 -13.899  15.833
  104   HG22  ILE  12          HG22      ILE  12 -20.449 -12.779  17.034
  105   HG23  ILE  12          HG23      ILE  12 -19.204 -12.162  15.885
  106   HD11  ILE  12          HD11      ILE  12 -21.127 -10.985  11.947
  107   HD12  ILE  12          HD12      ILE  12 -21.314 -10.200  13.551
  108   HD13  ILE  12          HD13      ILE  12 -22.496 -11.457  13.010
  109    H    LEU  13           HN       LEU  13 -23.962 -13.354  13.328
  110    HA   LEU  13           HA       LEU  13 -25.410 -11.497  14.924
  111    HB2  LEU  13           HB2      LEU  13 -24.549 -11.928  12.249
  112    HB3  LEU  13           HB1      LEU  13 -26.359 -11.700  12.264
  113    HG   LEU  13           HG       LEU  13 -26.075  -9.575  13.544
  114   HD11  LEU  13          HD11      LEU  13 -24.132  -8.926  14.574
  115   HD12  LEU  13          HD12      LEU  13 -23.120  -9.333  13.137
  116   HD13  LEU  13          HD13      LEU  13 -23.572 -10.625  14.317
  117   HD21  LEU  13          HD21      LEU  13 -25.625  -9.902  10.839
  118   HD22  LEU  13          HD22      LEU  13 -24.096  -9.075  11.327
  119   HD23  LEU  13          HD23      LEU  13 -25.692  -8.304  11.668
  120    H    GLN  14           HN       GLN  14 -25.200 -14.724  14.478
  121    HA   GLN  14           HA       GLN  14 -27.880 -15.075  15.387
  122    HB2  GLN  14           HB2      GLN  14 -26.838 -16.552  12.894
  123    HB3  GLN  14           HB1      GLN  14 -28.283 -17.063  13.837
  124    HG2  GLN  14           HG2      GLN  14 -29.392 -14.855  13.316
  125    HG3  GLN  14           HG1      GLN  14 -27.960 -14.396  12.311
  126   HE21  GLN  14          HE21      GLN  14 -28.906 -14.422  10.260
  127   HE22  GLN  14          HE22      GLN  14 -29.578 -15.836   9.523
  128    H    ARG  15           HN       ARG  15 -25.542 -14.907  16.628
  129    HA   ARG  15           HA       ARG  15 -24.387 -17.537  16.768
  130    HB2  ARG  15           HB2      ARG  15 -23.496 -14.863  17.177
  131    HB3  ARG  15           HB1      ARG  15 -23.466 -15.640  18.801
  132    HG2  ARG  15           HG2      ARG  15 -22.171 -17.596  17.755
  133    HG3  ARG  15           HG1      ARG  15 -22.047 -16.625  16.236
  134    HD2  ARG  15           HD2      ARG  15 -20.035 -16.014  17.270
  135    HD3  ARG  15           HD1      ARG  15 -21.130 -14.738  17.966
  136    HE   ARG  15           HE       ARG  15 -21.252 -17.030  19.681
  137   HH11  ARG  15          HH11      ARG  15 -18.959 -14.552  18.546
  138   HH12  ARG  15          HH12      ARG  15 -18.014 -14.544  19.996
  139   HH21  ARG  15          HH21      ARG  15 -19.973 -17.022  21.649
  140   HH22  ARG  15          HH22      ARG  15 -18.599 -15.974  21.792
  141    H    LYS  16           HN       LYS  16 -26.046 -18.818  17.649
  142    HA   LYS  16           HA       LYS  16 -27.496 -18.060  19.909
  143    HB2  LYS  16           HB2      LYS  16 -28.123 -20.008  18.403
  144    HB3  LYS  16           HB1      LYS  16 -26.701 -20.898  19.051
  145    HG2  LYS  16           HG2      LYS  16 -27.673 -20.799  21.350
  146    HG3  LYS  16           HG1      LYS  16 -29.084 -19.882  20.722
  147    HD2  LYS  16           HD2      LYS  16 -29.684 -21.817  19.252
  148    HD3  LYS  16           HD1      LYS  16 -28.270 -22.734  19.876
  149    HE2  LYS  16           HE2      LYS  16 -29.242 -22.677  22.191
  150    HE3  LYS  16           HE1      LYS  16 -30.664 -21.740  21.567
  151    HZ1  LYS  16           HZ1      LYS  16 -30.131 -24.529  21.477
  152    HZ2  LYS  16           HZ2      LYS  16 -30.418 -23.923  19.917
  153    HZ3  LYS  16           HZ3      LYS  16 -31.562 -23.677  21.148
  154    H    LYS  17           HN       LYS  17 -24.317 -19.628  19.437
  155    HA   LYS  17           HA       LYS  17 -23.888 -19.220  22.305
  156    HB2  LYS  17           HB2      LYS  17 -23.798 -21.815  20.816
  157    HB3  LYS  17           HB1      LYS  17 -22.286 -21.449  21.719
  158    HG2  LYS  17           HG2      LYS  17 -23.696 -22.739  23.191
  159    HG3  LYS  17           HG1      LYS  17 -23.700 -21.048  23.800
  160    HD2  LYS  17           HD2      LYS  17 -25.931 -20.692  23.236
  161    HD3  LYS  17           HD1      LYS  17 -25.876 -21.809  21.831
  162    HE2  LYS  17           HE2      LYS  17 -27.318 -22.760  23.619
  163    HE3  LYS  17           HE1      LYS  17 -25.829 -23.778  23.444
  164    HZ1  LYS  17           HZ1      LYS  17 -25.233 -21.788  25.271
  165    HZ2  LYS  17           HZ2      LYS  17 -25.492 -23.440  25.564
  166    HZ3  LYS  17           HZ3      LYS  17 -26.784 -22.344  25.682
  Start of MODEL    8
    1    H1   GLU   1           HT1      GLU   1 -13.261  -6.908   2.029
    2    H2   GLU   1           HT2      GLU   1 -13.148  -6.255   0.464
    3    H3   GLU   1           HT3      GLU   1 -12.443  -5.442   1.777
    4    HA   GLU   1           HA       GLU   1 -11.358  -7.424   0.119
    5    HB2  GLU   1           HB2      GLU   1 -10.324  -5.770   2.490
    6    HB3  GLU   1           HB1      GLU   1  -9.254  -6.833   1.507
    7    HG2  GLU   1           HG2      GLU   1  -9.723  -5.516  -0.540
    8    HG3  GLU   1           HG1      GLU   1 -10.929  -4.504   0.346
    9    H    MET   2           HN       MET   2 -13.056  -9.122   1.216
   10    HA   MET   2           HA       MET   2 -11.377 -10.590   3.110
   11    HB2  MET   2           HB2      MET   2 -14.426 -10.276   3.278
   12    HB3  MET   2           HB1      MET   2 -13.466 -11.464   4.227
   13    HG2  MET   2           HG2      MET   2 -12.230  -9.614   5.340
   14    HG3  MET   2           HG1      MET   2 -13.119  -8.404   4.363
   15    HE1  MET   2           HE1      MET   2 -14.362 -10.938   7.951
   16    HE2  MET   2           HE2      MET   2 -12.961 -11.085   6.835
   17    HE3  MET   2           HE3      MET   2 -14.553 -11.783   6.376
   18    H    ARG   3           HN       ARG   3 -12.029 -12.955   3.143
   19    HA   ARG   3           HA       ARG   3 -12.980 -13.620   0.469
   20    HB2  ARG   3           HB2      ARG   3 -11.875 -15.906   0.951
   21    HB3  ARG   3           HB1      ARG   3 -10.747 -14.532   0.685
   22    HG2  ARG   3           HG2      ARG   3 -10.211 -14.342   2.995
   23    HG3  ARG   3           HG1      ARG   3 -11.673 -15.253   3.513
   24    HD2  ARG   3           HD2      ARG   3 -10.730 -17.375   2.789
   25    HD3  ARG   3           HD1      ARG   3  -9.370 -16.546   1.903
   26    HE   ARG   3           HE       ARG   3  -9.280 -15.719   4.649
   27   HH11  ARG   3          HH11      ARG   3  -8.917 -18.623   2.620
   28   HH12  ARG   3          HH12      ARG   3  -7.777 -19.400   3.666
   29   HH21  ARG   3          HH21      ARG   3  -7.728 -16.776   6.072
   30   HH22  ARG   3          HH22      ARG   3  -7.091 -18.332   5.663
   31    H    LEU   4           HN       LEU   4 -14.658 -12.919   2.790
   32    HA   LEU   4           HA       LEU   4 -15.844 -15.567   3.169
   33    HB2  LEU   4           HB2      LEU   4 -15.699 -13.237   5.141
   34    HB3  LEU   4           HB1      LEU   4 -16.848 -14.614   5.327
   35    HG   LEU   4           HG       LEU   4 -13.805 -14.892   5.091
   36   HD11  LEU   4          HD11      LEU   4 -15.642 -14.766   7.544
   37   HD12  LEU   4          HD12      LEU   4 -14.136 -13.832   7.197
   38   HD13  LEU   4          HD13      LEU   4 -14.038 -15.593   7.589
   39   HD21  LEU   4          HD21      LEU   4 -14.240 -17.067   4.659
   40   HD22  LEU   4          HD22      LEU   4 -16.022 -16.806   4.861
   41   HD23  LEU   4          HD23      LEU   4 -14.994 -17.210   6.295
   42    H    SER   5           HN       SER   5 -18.089 -15.698   3.289
   43    HA   SER   5           HA       SER   5 -19.349 -13.553   1.765
   44    HB2  SER   5           HB2      SER   5 -19.324 -16.013   0.898
   45    HB3  SER   5           HB1      SER   5 -20.377 -16.404   2.309
   46    HG   SER   5           HG       SER   5 -20.908 -14.993  -0.027
   47    H    DPP   6           HN       DPP   6 -21.912 -15.212   2.875
   48    HA   DPP   6           HA       DPP   6 -22.488 -13.331   4.871
   49    HB2  DPP   6           HB2      DPP   6 -23.806 -15.887   3.843
   50    HB3  DPP   6           HB3      DPP   6 -24.510 -14.235   3.997
   51    H    PHE   7           HN       PHE   7 -22.553 -16.878   5.579
   52    HA   PHE   7           HA       PHE   7 -22.032 -17.905   7.490
   53    HB2  PHE   7           HB2      PHE   7 -19.898 -18.517   6.570
   54    HB3  PHE   7           HB1      PHE   7 -19.358 -16.789   6.457
   55    HD1  PHE   7           HD1      PHE   7 -20.792 -18.426   9.505
   56    HD2  PHE   7           HD2      PHE   7 -17.296 -16.943   7.568
   57    HE1  PHE   7           HE1      PHE   7 -19.628 -18.429  11.663
   58    HE2  PHE   7           HE2      PHE   7 -16.100 -17.048   9.723
   59    HZ   PHE   7           HZ       PHE   7 -17.247 -17.811  11.748
   60    H    PHE   8           HN       PHE   8 -19.545 -15.562   8.122
   61    HA   PHE   8           HA       PHE   8 -20.313 -15.431  10.759
   62    HB2  PHE   8           HB2      PHE   8 -18.247 -14.334  11.079
   63    HB3  PHE   8           HB1      PHE   8 -17.978 -15.348   9.663
   64    HD1  PHE   8           HD1      PHE   8 -17.525 -12.286  11.027
   65    HD2  PHE   8           HD2      PHE   8 -18.591 -14.223   7.431
   66    HE1  PHE   8           HE1      PHE   8 -16.863 -10.349   9.817
   67    HE2  PHE   8           HE2      PHE   8 -17.917 -12.303   6.175
   68    HZ   PHE   8           HZ       PHE   8 -17.034 -10.321   7.364
   69    H    ARG   9           HN       ARG   9 -20.784 -13.116   8.067
   70    HA   ARG   9           HA       ARG   9 -21.459 -11.148   9.935
   71    HB2  ARG   9           HB2      ARG   9 -22.136 -11.538   6.982
   72    HB3  ARG   9           HB1      ARG   9 -22.897 -10.198   7.910
   73    HG2  ARG   9           HG2      ARG   9 -21.077  -8.940   7.503
   74    HG3  ARG   9           HG1      ARG   9 -20.108 -10.073   8.510
   75    HD2  ARG   9           HD2      ARG   9 -18.973 -10.053   6.397
   76    HD3  ARG   9           HD1      ARG   9 -19.981 -11.572   6.326
   77    HE   ARG   9           HE       ARG   9 -21.611  -9.505   5.270
   78   HH11  ARG   9          HH11      ARG   9 -18.435 -10.972   4.605
   79   HH12  ARG   9          HH12      ARG   9 -18.490 -10.696   2.897
   80   HH21  ARG   9          HH21      ARG   9 -21.687  -9.122   2.947
   81   HH22  ARG   9          HH22      ARG   9 -20.370  -9.621   1.940
   82    H    GLN  10           HN       GLN  10 -23.026 -14.087   9.354
   83    HA   GLN  10           HA       GLN  10 -25.245 -12.934  10.775
   84    HB2  GLN  10           HB2      GLN  10 -26.915 -14.153   9.428
   85    HB3  GLN  10           HB1      GLN  10 -26.014 -12.979   8.415
   86    HG2  GLN  10           HG2      GLN  10 -24.892 -15.796   8.521
   87    HG3  GLN  10           HG1      GLN  10 -26.459 -15.584   7.654
   88   HE21  GLN  10          HE21      GLN  10 -24.861 -16.335   5.889
   89    H    PHE  11           HN       PHE  11 -22.790 -14.591  11.215
   90    HA   PHE  11           HA       PHE  11 -24.206 -16.810  12.457
   91    HB2  PHE  11           HB2      PHE  11 -22.723 -17.786  10.734
   92    HB3  PHE  11           HB1      PHE  11 -21.373 -16.782  11.347
   93    HD1  PHE  11           HD1      PHE  11 -23.095 -19.844  11.585
   94    HD2  PHE  11           HD2      PHE  11 -20.632 -17.102  13.704
   95    HE1  PHE  11           HE1      PHE  11 -22.452 -21.638  13.135
   96    HE2  PHE  11           HE2      PHE  11 -19.967 -18.915  15.249
   97    HZ   PHE  11           HZ       PHE  11 -20.879 -21.178  14.967
   98    H    ILE  12           HN       ILE  12 -21.369 -14.626  12.496
   99    HA   ILE  12           HA       ILE  12 -21.127 -15.090  15.310
  100    HB   ILE  12           HB       ILE  12 -19.764 -12.707  14.677
  101   HG12  ILE  12          HG12      ILE  12 -18.181 -13.848  12.895
  102   HG13  ILE  12          HG11      ILE  12 -19.758 -14.519  12.365
  103   HG21  ILE  12          HG21      ILE  12 -17.683 -14.203  15.017
  104   HG22  ILE  12          HG22      ILE  12 -18.799 -15.621  15.073
  105   HG23  ILE  12          HG23      ILE  12 -18.918 -14.323  16.326
  106   HD11  ILE  12          HD11      ILE  12 -19.469 -12.358  11.270
  107   HD12  ILE  12          HD12      ILE  12 -19.074 -11.569  12.837
  108   HD13  ILE  12          HD13      ILE  12 -20.740 -12.198  12.529
  109    H    LEU  13           HN       LEU  13 -22.663 -13.286  13.063
  110    HA   LEU  13           HA       LEU  13 -23.048 -11.069  14.784
  111    HB2  LEU  13           HB2      LEU  13 -22.789 -11.776  12.034
  112    HB3  LEU  13           HB1      LEU  13 -24.284 -10.758  12.270
  113    HG   LEU  13           HG       LEU  13 -22.989  -8.955  13.270
  114   HD11  LEU  13          HD11      LEU  13 -21.145  -9.363  14.540
  115   HD12  LEU  13          HD12      LEU  13 -20.222  -9.819  13.059
  116   HD13  LEU  13          HD13      LEU  13 -21.106 -11.084  13.992
  117   HD21  LEU  13          HD21      LEU  13 -21.933  -8.156  11.370
  118   HD22  LEU  13          HD22      LEU  13 -22.749  -9.583  10.630
  119   HD23  LEU  13          HD23      LEU  13 -21.005  -9.680  11.095
  120    H    GLN  14           HN       GLN  14 -24.270 -14.068  14.458
  121    HA   GLN  14           HA       GLN  14 -26.720 -13.256  15.665
  122    HB2  GLN  14           HB2      GLN  14 -26.710 -14.989  13.119
  123    HB3  GLN  14           HB1      GLN  14 -28.112 -14.853  14.239
  124    HG2  GLN  14           HG2      GLN  14 -28.214 -12.366  13.786
  125    HG3  GLN  14           HG1      GLN  14 -26.861 -12.552  12.599
  126   HE21  GLN  14          HE21      GLN  14 -28.018 -12.071  10.707
  127   HE22  GLN  14          HE22      GLN  14 -29.306 -13.054  10.096
  128    H    ARG  15           HN       ARG  15 -24.387 -14.155  16.617
  129    HA   ARG  15           HA       ARG  15 -24.467 -17.026  16.717
  130    HB2  ARG  15           HB2      ARG  15 -22.494 -14.975  17.004
  131    HB3  ARG  15           HB1      ARG  15 -22.625 -15.771  18.613
  132    HG2  ARG  15           HG2      ARG  15 -22.351 -18.035  17.437
  133    HG3  ARG  15           HG1      ARG  15 -22.018 -17.145  15.906
  134    HD2  ARG  15           HD2      ARG  15 -19.834 -17.484  16.711
  135    HD3  ARG  15           HD1      ARG  15 -20.207 -15.857  17.432
  136    HE   ARG  15           HE       ARG  15 -21.086 -17.852  19.288
  137   HH11  ARG  15          HH11      ARG  15 -18.110 -16.622  17.768
  138   HH12  ARG  15          HH12      ARG  15 -17.085 -16.992  19.114
  139   HH21  ARG  15          HH21      ARG  15 -19.694 -18.355  21.122
  140   HH22  ARG  15          HH22      ARG  15 -18.002 -17.995  21.053
  141    H    LYS  16           HN       LYS  16 -26.508 -17.395  17.769
  142    HA   LYS  16           HA       LYS  16 -26.772 -16.236  20.420
  143    HB2  LYS  16           HB2      LYS  16 -28.566 -18.239  18.920
  144    HB3  LYS  16           HB1      LYS  16 -28.967 -17.436  20.482
  145    HG2  LYS  16           HG2      LYS  16 -28.876 -15.205  19.355
  146    HG3  LYS  16           HG1      LYS  16 -28.496 -16.017  17.797
  147    HD2  LYS  16           HD2      LYS  16 -30.686 -17.256  17.931
  148    HD3  LYS  16           HD1      LYS  16 -31.068 -16.392  19.459
  149    HE2  LYS  16           HE2      LYS  16 -30.572 -15.014  16.732
  150    HE3  LYS  16           HE1      LYS  16 -32.198 -15.345  17.462
  151    HZ1  LYS  16           HZ1      LYS  16 -30.725 -14.094  19.419
  152    HZ2  LYS  16           HZ2      LYS  16 -31.972 -13.434  18.475
  153    HZ3  LYS  16           HZ3      LYS  16 -30.354 -13.255  17.991
  154    H    LYS  17           HN       LYS  17 -25.187 -18.780  18.905
  155    HA   LYS  17           HA       LYS  17 -24.192 -20.612  19.685
  156    HB2  LYS  17           HB2      LYS  17 -24.957 -19.668  22.510
  157    HB3  LYS  17           HB1      LYS  17 -23.681 -20.862  22.090
  158    HG2  LYS  17           HG2      LYS  17 -22.166 -19.247  21.422
  159    HG3  LYS  17           HG1      LYS  17 -23.435 -18.135  20.805
  160    HD2  LYS  17           HD2      LYS  17 -24.060 -17.520  23.129
  161    HD3  LYS  17           HD1      LYS  17 -22.834 -18.668  23.781
  162    HE2  LYS  17           HE2      LYS  17 -20.994 -17.336  22.751
  163    HE3  LYS  17           HE1      LYS  17 -22.205 -16.221  21.989
  164    HZ1  LYS  17           HZ1      LYS  17 -21.262 -16.386  24.720
  165    HZ2  LYS  17           HZ2      LYS  17 -22.941 -16.180  24.560
  166    HZ3  LYS  17           HZ3      LYS  17 -21.876 -15.073  23.835
  Start of MODEL    9
    1    H1   GLU   1           HT1      GLU   1 -12.751  -8.994  -3.696
    2    H2   GLU   1           HT2      GLU   1 -13.191  -7.443  -3.162
    3    H3   GLU   1           HT3      GLU   1 -13.865  -8.818  -2.427
    4    HA   GLU   1           HA       GLU   1 -11.127  -9.100  -2.267
    5    HB2  GLU   1           HB2      GLU   1 -12.175  -6.327  -1.468
    6    HB3  GLU   1           HB1      GLU   1 -10.641  -7.011  -0.821
    7    HG2  GLU   1           HG2      GLU   1  -9.654  -7.117  -3.090
    8    HG3  GLU   1           HG1      GLU   1 -11.217  -6.590  -3.831
    9    H    MET   2           HN       MET   2 -13.060 -10.722  -1.379
   10    HA   MET   2           HA       MET   2 -13.029 -10.203   1.505
   11    HB2  MET   2           HB2      MET   2 -15.356 -11.367  -0.122
   12    HB3  MET   2           HB1      MET   2 -15.245 -11.397   1.673
   13    HG2  MET   2           HG2      MET   2 -15.111  -8.845   1.631
   14    HG3  MET   2           HG1      MET   2 -15.435  -8.908  -0.129
   15    HE1  MET   2           HE1      MET   2 -17.730 -11.217  -0.538
   16    HE2  MET   2           HE2      MET   2 -17.214  -9.658  -1.270
   17    HE3  MET   2           HE3      MET   2 -18.912  -9.874  -0.723
   18    H    ARG   3           HN       ARG   3 -13.030 -12.206   2.783
   19    HA   ARG   3           HA       ARG   3 -12.256 -14.452   1.106
   20    HB2  ARG   3           HB2      ARG   3 -10.353 -13.474   2.520
   21    HB3  ARG   3           HB1      ARG   3 -11.324 -13.890   3.974
   22    HG2  ARG   3           HG2      ARG   3 -10.938 -16.140   2.036
   23    HG3  ARG   3           HG1      ARG   3  -9.426 -15.528   2.791
   24    HD2  ARG   3           HD2      ARG   3 -10.517 -15.818   5.090
   25    HD3  ARG   3           HD1      ARG   3 -11.941 -16.588   4.258
   26    HE   ARG   3           HE       ARG   3  -9.545 -17.892   3.352
   27   HH11  ARG   3          HH11      ARG   3 -11.536 -17.423   6.266
   28   HH12  ARG   3          HH12      ARG   3 -11.139 -18.953   6.973
   29   HH21  ARG   3          HH21      ARG   3  -9.004 -19.975   4.312
   30   HH22  ARG   3          HH22      ARG   3  -9.674 -20.428   5.842
   31    H    LEU   4           HN       LEU   4 -13.537 -13.551   4.358
   32    HA   LEU   4           HA       LEU   4 -14.853 -16.107   4.482
   33    HB2  LEU   4           HB2      LEU   4 -15.950 -14.604   6.568
   34    HB3  LEU   4           HB1      LEU   4 -14.523 -15.685   6.710
   35    HG   LEU   4           HG       LEU   4 -13.061 -13.678   6.063
   36   HD11  LEU   4          HD11      LEU   4 -14.115 -11.815   5.294
   37   HD12  LEU   4          HD12      LEU   4 -14.645 -11.513   6.992
   38   HD13  LEU   4          HD13      LEU   4 -15.727 -12.405   5.853
   39   HD21  LEU   4          HD21      LEU   4 -13.001 -12.786   8.349
   40   HD22  LEU   4          HD22      LEU   4 -13.320 -14.561   8.409
   41   HD23  LEU   4          HD23      LEU   4 -14.668 -13.392   8.675
   42    H    SER   5           HN       SER   5 -15.535 -12.767   3.549
   43    HA   SER   5           HA       SER   5 -17.350 -11.793   2.770
   44    HB2  SER   5           HB2      SER   5 -17.331 -13.836   1.206
   45    HB3  SER   5           HB1      SER   5 -18.535 -14.590   2.317
   46    HG   SER   5           HG       SER   5 -19.435 -13.457   0.520
   47    H    DPP   6           HN       DPP   6 -19.831 -14.140   3.399
   48    HA   DPP   6           HA       DPP   6 -20.832 -12.406   5.415
   49    HB2  DPP   6           HB2      DPP   6 -21.982 -15.211   4.901
   50    HB3  DPP   6           HB3      DPP   6 -22.249 -13.885   3.713
   51    H    PHE   7           HN       PHE   7 -21.370 -15.752   6.230
   52    HA   PHE   7           HA       PHE   7 -20.647 -17.023   7.899
   53    HB2  PHE   7           HB2      PHE   7 -18.286 -17.202   7.507
   54    HB3  PHE   7           HB1      PHE   7 -18.067 -15.402   7.495
   55    HD1  PHE   7           HD1      PHE   7 -19.691 -17.481  10.173
   56    HD2  PHE   7           HD2      PHE   7 -16.362 -15.077   9.026
   57    HE1  PHE   7           HE1      PHE   7 -19.026 -17.314  12.526
   58    HE2  PHE   7           HE2      PHE   7 -15.636 -15.019  11.378
   59    HZ   PHE   7           HZ       PHE   7 -16.949 -16.137  13.115
   60    H    PHE   8           HN       PHE   8 -18.892 -14.219   9.088
   61    HA   PHE   8           HA       PHE   8 -20.129 -14.491  11.547
   62    HB2  PHE   8           HB2      PHE   8 -18.558 -12.881  12.304
   63    HB3  PHE   8           HB1      PHE   8 -17.733 -13.703  10.966
   64    HD1  PHE   8           HD1      PHE   8 -18.514 -10.696  12.377
   65    HD2  PHE   8           HD2      PHE   8 -18.135 -12.683   8.685
   66    HE1  PHE   8           HE1      PHE   8 -18.278  -8.596  11.300
   67    HE2  PHE   8           HE2      PHE   8 -17.876 -10.597   7.549
   68    HZ   PHE   8           HZ       PHE   8 -17.938  -8.508   8.860
   69    H    ARG   9           HN       ARG   9 -20.645 -11.974   8.967
   70    HA   ARG   9           HA       ARG   9 -22.289 -10.642  10.795
   71    HB2  ARG   9           HB2      ARG   9 -23.447  -9.649   8.647
   72    HB3  ARG   9           HB1      ARG   9 -21.728  -9.243   8.968
   73    HG2  ARG   9           HG2      ARG   9 -22.078 -11.742   7.378
   74    HG3  ARG   9           HG1      ARG   9 -22.754 -10.276   6.584
   75    HD2  ARG   9           HD2      ARG   9 -20.234  -9.438   7.655
   76    HD3  ARG   9           HD1      ARG   9 -19.931 -11.079   6.924
   77    HE   ARG   9           HE       ARG   9 -21.458  -9.812   4.981
   78   HH11  ARG   9          HH11      ARG   9 -18.557  -8.903   6.839
   79   HH12  ARG   9          HH12      ARG   9 -17.874  -7.924   5.584
   80   HH21  ARG   9          HH21      ARG   9 -20.529  -8.484   3.279
   81   HH22  ARG   9          HH22      ARG   9 -19.015  -7.682   3.527
   82    H    GLN  10           HN       GLN  10 -22.766 -13.749   9.739
   83    HA   GLN  10           HA       GLN  10 -25.541 -13.364  10.415
   84    HB2  GLN  10           HB2      GLN  10 -25.027 -15.490   8.358
   85    HB3  GLN  10           HB1      GLN  10 -26.460 -14.433   8.560
   86    HG2  GLN  10           HG2      GLN  10 -25.756 -13.323   6.691
   87    HG3  GLN  10           HG1      GLN  10 -24.456 -12.626   7.724
   88   HE21  GLN  10          HE21      GLN  10 -23.293 -12.542   5.593
   89    H    PHE  11           HN       PHE  11 -22.822 -14.343  11.436
   90    HA   PHE  11           HA       PHE  11 -23.865 -16.921  12.335
   91    HB2  PHE  11           HB2      PHE  11 -21.836 -17.332  10.958
   92    HB3  PHE  11           HB1      PHE  11 -20.957 -16.108  11.933
   93    HD1  PHE  11           HD1      PHE  11 -21.898 -19.499  11.614
   94    HD2  PHE  11           HD2      PHE  11 -20.712 -16.490  14.373
   95    HE1  PHE  11           HE1      PHE  11 -21.236 -21.245  13.214
   96    HE2  PHE  11           HE2      PHE  11 -20.026 -18.246  15.974
   97    HZ   PHE  11           HZ       PHE  11 -20.289 -20.619  15.394
   98    H    ILE  12           HN       ILE  12 -21.748 -14.116  13.037
   99    HA   ILE  12           HA       ILE  12 -21.991 -14.733  15.828
  100    HB   ILE  12           HB       ILE  12 -21.147 -12.059  15.571
  101   HG12  ILE  12          HG12      ILE  12 -19.004 -12.615  14.151
  102   HG13  ILE  12          HG11      ILE  12 -20.190 -13.646  13.280
  103   HG21  ILE  12          HG21      ILE  12 -18.884 -13.041  16.330
  104   HG22  ILE  12          HG22      ILE  12 -19.592 -14.684  16.091
  105   HG23  ILE  12          HG23      ILE  12 -20.296 -13.562  17.323
  106   HD11  ILE  12          HD11      ILE  12 -21.791 -11.703  13.260
  107   HD12  ILE  12          HD12      ILE  12 -20.287 -11.398  12.322
  108   HD13  ILE  12          HD13      ILE  12 -20.484 -10.671  13.954
  109    H    LEU  13           HN       LEU  13 -23.556 -13.364  13.364
  110    HA   LEU  13           HA       LEU  13 -24.814 -11.371  14.960
  111    HB2  LEU  13           HB2      LEU  13 -23.815 -11.801  12.334
  112    HB3  LEU  13           HB1      LEU  13 -25.566 -11.296  12.228
  113    HG   LEU  13           HG       LEU  13 -25.067  -9.306  13.655
  114   HD11  LEU  13          HD11      LEU  13 -23.136  -9.020  14.858
  115   HD12  LEU  13          HD12      LEU  13 -22.087  -9.507  13.473
  116   HD13  LEU  13          HD13      LEU  13 -22.821 -10.771  14.535
  117   HD21  LEU  13          HD21      LEU  13 -24.343  -8.016  11.894
  118   HD22  LEU  13          HD22      LEU  13 -24.470  -9.560  10.975
  119   HD23  LEU  13          HD23      LEU  13 -22.868  -9.019  11.610
  120    H    GLN  14           HN       GLN  14 -25.071 -14.565  14.324
  121    HA   GLN  14           HA       GLN  14 -27.840 -14.531  15.018
  122    HB2  GLN  14           HB2      GLN  14 -26.833 -16.046  12.533
  123    HB3  GLN  14           HB1      GLN  14 -28.414 -16.358  13.334
  124    HG2  GLN  14           HG2      GLN  14 -29.119 -13.983  12.849
  125    HG3  GLN  14           HG1      GLN  14 -27.551 -13.714  11.986
  126   HE21  GLN  14          HE21      GLN  14 -28.316 -13.497   9.872
  127   HE22  GLN  14          HE22      GLN  14 -29.131 -14.754   9.005
  128    H    ARG  15           HN       ARG  15 -25.604 -14.783  16.431
  129    HA   ARG  15           HA       ARG  15 -24.890 -17.566  16.517
  130    HB2  ARG  15           HB2      ARG  15 -23.639 -15.081  17.152
  131    HB3  ARG  15           HB1      ARG  15 -23.853 -15.945  18.719
  132    HG2  ARG  15           HG2      ARG  15 -22.797 -18.020  17.621
  133    HG3  ARG  15           HG1      ARG  15 -22.397 -16.984  16.197
  134    HD2  ARG  15           HD2      ARG  15 -20.413 -16.736  17.398
  135    HD3  ARG  15           HD1      ARG  15 -21.366 -15.391  18.169
  136    HE   ARG  15           HE       ARG  15 -21.922 -17.806  19.610
  137   HH11  ARG  15          HH11      ARG  15 -19.246 -15.568  18.891
  138   HH12  ARG  15          HH12      ARG  15 -18.401 -15.859  20.375
  139   HH21  ARG  15          HH21      ARG  15 -20.777 -18.208  21.621
  140   HH22  ARG  15          HH22      ARG  15 -19.288 -17.387  21.955
  141    H    LYS  16           HN       LYS  16 -26.768 -18.622  17.210
  142    HA   LYS  16           HA       LYS  16 -28.295 -17.744  19.373
  143    HB2  LYS  16           HB2      LYS  16 -27.807 -20.579  18.304
  144    HB3  LYS  16           HB1      LYS  16 -29.038 -20.177  19.554
  145    HG2  LYS  16           HG2      LYS  16 -30.170 -18.636  17.944
  146    HG3  LYS  16           HG1      LYS  16 -28.944 -19.050  16.696
  147    HD2  LYS  16           HD2      LYS  16 -29.661 -21.445  16.780
  148    HD3  LYS  16           HD1      LYS  16 -30.879 -21.040  18.039
  149    HE2  LYS  16           HE2      LYS  16 -32.061 -19.526  16.420
  150    HE3  LYS  16           HE1      LYS  16 -30.829 -19.925  15.152
  151    HZ1  LYS  16           HZ1      LYS  16 -33.127 -21.353  15.932
  152    HZ2  LYS  16           HZ2      LYS  16 -31.758 -22.325  16.190
  153    HZ3  LYS  16           HZ3      LYS  16 -32.047 -21.653  14.657
  154    H    LYS  17           HN       LYS  17 -25.346 -19.703  19.056
  155    HA   LYS  17           HA       LYS  17 -24.842 -19.248  21.853
  156    HB2  LYS  17           HB2      LYS  17 -24.130 -21.851  21.969
  157    HB3  LYS  17           HB1      LYS  17 -25.773 -21.313  22.453
  158    HG2  LYS  17           HG2      LYS  17 -25.467 -21.947  19.529
  159    HG3  LYS  17           HG1      LYS  17 -25.228 -23.337  20.640
  160    HD2  LYS  17           HD2      LYS  17 -27.433 -22.931  21.690
  161    HD3  LYS  17           HD1      LYS  17 -27.669 -21.454  20.694
  162    HE2  LYS  17           HE2      LYS  17 -28.954 -23.260  19.655
  163    HE3  LYS  17           HE1      LYS  17 -27.509 -22.968  18.600
  164    HZ1  LYS  17           HZ1      LYS  17 -26.891 -24.848  20.615
  165    HZ2  LYS  17           HZ2      LYS  17 -26.888 -25.024  18.926
  166    HZ3  LYS  17           HZ3      LYS  17 -28.307 -25.325  19.809
  Start of MODEL   10
    1    H1   GLU   1           HT1      GLU   1 -15.074 -12.594  -3.308
    2    H2   GLU   1           HT2      GLU   1 -14.568 -13.267  -4.784
    3    H3   GLU   1           HT3      GLU   1 -14.240 -11.637  -4.436
    4    HA   GLU   1           HA       GLU   1 -13.189 -13.919  -2.897
    5    HB2  GLU   1           HB2      GLU   1 -12.276 -13.928  -5.219
    6    HB3  GLU   1           HB1      GLU   1 -11.871 -12.186  -5.068
    7    HG2  GLU   1           HG2      GLU   1  -9.819 -13.539  -4.778
    8    HG3  GLU   1           HG1      GLU   1 -10.230 -12.751  -3.207
    9    H    MET   2           HN       MET   2 -13.488 -12.920  -0.843
   10    HA   MET   2           HA       MET   2 -11.729 -10.623  -0.478
   11    HB2  MET   2           HB2      MET   2 -14.584 -10.865   0.606
   12    HB3  MET   2           HB1      MET   2 -13.359  -9.720   1.254
   13    HG2  MET   2           HG2      MET   2 -13.164  -8.743  -1.113
   14    HG3  MET   2           HG1      MET   2 -14.560  -9.764  -1.582
   15    HE1  MET   2           HE1      MET   2 -16.598  -9.872  -0.766
   16    HE2  MET   2           HE2      MET   2 -17.612  -8.491  -0.225
   17    HE3  MET   2           HE3      MET   2 -16.761  -9.508   0.987
   18    H    ARG   3           HN       ARG   3 -11.445 -10.267   2.000
   19    HA   ARG   3           HA       ARG   3 -10.601 -12.716   2.999
   20    HB2  ARG   3           HB2      ARG   3  -9.506 -10.567   3.683
   21    HB3  ARG   3           HB1      ARG   3 -11.035 -10.080   4.494
   22    HG2  ARG   3           HG2      ARG   3 -10.841 -11.911   6.114
   23    HG3  ARG   3           HG1      ARG   3  -9.429 -12.597   5.241
   24    HD2  ARG   3           HD2      ARG   3  -9.438  -9.771   6.507
   25    HD3  ARG   3           HD1      ARG   3  -8.810 -11.265   7.338
   26    HE   ARG   3           HE       ARG   3  -7.577 -11.111   4.754
   27   HH11  ARG   3          HH11      ARG   3  -7.744  -9.357   7.847
   28   HH12  ARG   3          HH12      ARG   3  -6.140  -8.711   7.746
   29   HH21  ARG   3          HH21      ARG   3  -5.394 -10.236   4.615
   30   HH22  ARG   3          HH22      ARG   3  -4.781  -9.220   5.876
   31    H    LEU   4           HN       LEU   4 -13.489 -10.698   3.518
   32    HA   LEU   4           HA       LEU   4 -14.707 -13.028   4.745
   33    HB2  LEU   4           HB2      LEU   4 -15.860 -11.479   6.455
   34    HB3  LEU   4           HB1      LEU   4 -14.131 -11.844   6.778
   35    HG   LEU   4           HG       LEU   4 -13.570  -9.651   5.531
   36   HD11  LEU   4          HD11      LEU   4 -16.563  -9.544   5.423
   37   HD12  LEU   4          HD12      LEU   4 -15.327  -8.700   4.420
   38   HD13  LEU   4          HD13      LEU   4 -15.784  -8.035   6.036
   39   HD21  LEU   4          HD21      LEU   4 -14.652 -10.057   8.286
   40   HD22  LEU   4          HD22      LEU   4 -14.681  -8.341   7.728
   41   HD23  LEU   4          HD23      LEU   4 -13.129  -9.264   7.731
   42    H    SER   5           HN       SER   5 -17.163 -12.673   4.888
   43    HA   SER   5           HA       SER   5 -18.275 -10.558   3.445
   44    HB2  SER   5           HB2      SER   5 -19.191 -11.857   1.471
   45    HB3  SER   5           HB1      SER   5 -17.395 -11.671   1.394
   46    HG   SER   5           HG       SER   5 -18.924 -13.899   1.587
   47    H    DPP   6           HN       DPP   6 -18.293 -13.701   5.011
   48    HA   DPP   6           HA       DPP   6 -21.082 -13.158   5.676
   49    HB2  DPP   6           HB2      DPP   6 -19.772 -15.875   4.999
   50    HB3  DPP   6           HB3      DPP   6 -21.259 -15.165   4.267
   51    H    PHE   7           HN       PHE   7 -19.567 -15.934   7.115
   52    HA   PHE   7           HA       PHE   7 -18.978 -16.344   9.191
   53    HB2  PHE   7           HB2      PHE   7 -16.746 -15.422   9.036
   54    HB3  PHE   7           HB1      PHE   7 -17.375 -13.743   8.752
   55    HD1  PHE   7           HD1      PHE   7 -18.575 -15.968  11.508
   56    HD2  PHE   7           HD2      PHE   7 -16.111 -12.654  10.435
   57    HE1  PHE   7           HE1      PHE   7 -18.535 -15.275  13.854
   58    HE2  PHE   7           HE2      PHE   7 -15.969 -12.037  12.814
   59    HZ   PHE   7           HZ       PHE   7 -17.158 -13.338  14.515
   60    H    PHE   8           HN       PHE   8 -18.826 -12.939   9.935
   61    HA   PHE   8           HA       PHE   8 -20.435 -13.398  12.142
   62    HB2  PHE   8           HB2      PHE   8 -19.708 -11.281  12.865
   63    HB3  PHE   8           HB1      PHE   8 -18.383 -11.855  11.845
   64    HD1  PHE   8           HD1      PHE   8 -20.392  -9.232  12.624
   65    HD2  PHE   8           HD2      PHE   8 -18.625 -11.251   9.367
   66    HE1  PHE   8           HE1      PHE   8 -20.607  -7.257  11.317
   67    HE2  PHE   8           HE2      PHE   8 -18.799  -9.278   8.029
   68    HZ   PHE   8           HZ       PHE   8 -19.800  -7.241   8.991
   69    H    ARG   9           HN       ARG   9 -21.148 -11.640   9.047
   70    HA   ARG   9           HA       ARG   9 -23.519 -10.775  10.264
   71    HB2  ARG   9           HB2      ARG   9 -24.390 -10.679   7.718
   72    HB3  ARG   9           HB1      ARG   9 -23.193  -9.491   8.333
   73    HG2  ARG   9           HG2      ARG   9 -21.969 -11.998   7.257
   74    HG3  ARG   9           HG1      ARG   9 -22.906 -11.058   6.047
   75    HD2  ARG   9           HD2      ARG   9 -21.296  -9.194   7.638
   76    HD3  ARG   9           HD1      ARG   9 -20.228 -10.528   7.006
   77    HE   ARG   9           HE       ARG   9 -21.728  -9.878   4.779
   78   HH11  ARG   9          HH11      ARG   9 -19.947  -7.924   7.172
   79   HH12  ARG   9          HH12      ARG   9 -19.530  -6.666   6.057
   80   HH21  ARG   9          HH21      ARG   9 -21.161  -8.169   3.273
   81   HH22  ARG   9          HH22      ARG   9 -20.232  -6.807   3.804
   82    H    GLN  10           HN       GLN  10 -22.647 -13.928   9.828
   83    HA   GLN  10           HA       GLN  10 -25.429 -14.541  10.067
   84    HB2  GLN  10           HB2      GLN  10 -25.400 -16.399   8.484
   85    HB3  GLN  10           HB1      GLN  10 -24.942 -14.895   7.626
   86    HG2  GLN  10           HG2      GLN  10 -22.649 -16.530   8.748
   87    HG3  GLN  10           HG1      GLN  10 -23.558 -17.265   7.375
   88   HE21  GLN  10          HE21      GLN  10 -21.344 -16.965   6.383
   89    H    PHE  11           HN       PHE  11 -22.872 -14.306  11.634
   90    HA   PHE  11           HA       PHE  11 -23.045 -16.977  12.784
   91    HB2  PHE  11           HB2      PHE  11 -20.761 -16.777  11.869
   92    HB3  PHE  11           HB1      PHE  11 -20.605 -15.163  12.632
   93    HD1  PHE  11           HD1      PHE  11 -20.175 -18.650  13.003
   94    HD2  PHE  11           HD2      PHE  11 -20.743 -15.003  15.114
   95    HE1  PHE  11           HE1      PHE  11 -19.273 -19.697  15.032
   96    HE2  PHE  11           HE2      PHE  11 -19.814 -16.052  17.149
   97    HZ   PHE  11           HZ       PHE  11 -19.082 -18.397  17.108
   98    H    ILE  12           HN       ILE  12 -22.322 -13.503  13.263
   99    HA   ILE  12           HA       ILE  12 -22.913 -13.840  16.049
  100    HB   ILE  12           HB       ILE  12 -23.084 -11.100  15.422
  101   HG12  ILE  12          HG12      ILE  12 -20.619 -10.943  14.488
  102   HG13  ILE  12          HG11      ILE  12 -21.162 -12.426  13.636
  103   HG21  ILE  12          HG21      ILE  12 -20.819 -11.016  16.678
  104   HG22  ILE  12          HG22      ILE  12 -20.844 -12.821  16.680
  105   HG23  ILE  12          HG23      ILE  12 -22.139 -11.895  17.538
  106   HD11  ILE  12          HD11      ILE  12 -23.292 -11.234  13.017
  107   HD12  ILE  12          HD12      ILE  12 -21.820 -10.503  12.288
  108   HD13  ILE  12          HD13      ILE  12 -22.595  -9.720  13.709
  109    H    LEU  13           HN       LEU  13 -24.258 -13.370  13.131
  110    HA   LEU  13           HA       LEU  13 -26.482 -11.919  14.139
  111    HB2  LEU  13           HB2      LEU  13 -24.840 -12.177  11.820
  112    HB3  LEU  13           HB1      LEU  13 -26.593 -12.354  11.349
  113    HG   LEU  13           HG       LEU  13 -27.141 -10.191  12.372
  114   HD11  LEU  13          HD11      LEU  13 -24.790 -10.663  14.001
  115   HD12  LEU  13          HD12      LEU  13 -25.957  -9.290  14.098
  116   HD13  LEU  13          HD13      LEU  13 -24.484  -9.149  13.068
  117   HD21  LEU  13          HD21      LEU  13 -26.295  -8.852  10.696
  118   HD22  LEU  13          HD22      LEU  13 -25.683 -10.423  10.059
  119   HD23  LEU  13          HD23      LEU  13 -24.584  -9.340  11.002
  120    H    GLN  14           HN       GLN  14 -25.441 -14.985  14.101
  121    HA   GLN  14           HA       GLN  14 -28.099 -15.981  14.277
  122    HB2  GLN  14           HB2      GLN  14 -26.115 -17.189  12.251
  123    HB3  GLN  14           HB1      GLN  14 -27.604 -18.020  12.826
  124    HG2  GLN  14           HG2      GLN  14 -29.004 -16.144  11.869
  125    HG3  GLN  14           HG1      GLN  14 -27.496 -15.376  11.229
  126   HE21  GLN  14          HE21      GLN  14 -27.862 -15.658   9.015
  127   HE22  GLN  14          HE22      GLN  14 -27.968 -17.205   8.245
  128    H    ARG  15           HN       ARG  15 -26.331 -15.252  16.088
  129    HA   ARG  15           HA       ARG  15 -24.604 -17.479  16.680
  130    HB2  ARG  15           HB2      ARG  15 -24.535 -14.685  17.101
  131    HB3  ARG  15           HB1      ARG  15 -24.820 -15.376  18.736
  132    HG2  ARG  15           HG2      ARG  15 -22.843 -16.949  18.349
  133    HG3  ARG  15           HG1      ARG  15 -22.503 -16.067  16.808
  134    HD2  ARG  15           HD2      ARG  15 -21.098 -14.884  18.259
  135    HD3  ARG  15           HD1      ARG  15 -22.622 -13.914  18.471
  136    HE   ARG  15           HE       ARG  15 -22.699 -16.049  20.370
  137   HH11  ARG  15          HH11      ARG  15 -20.775 -13.162  19.563
  138   HH12  ARG  15          HH12      ARG  15 -20.295 -12.836  21.194
  139   HH21  ARG  15          HH21      ARG  15 -22.044 -15.606  22.590
  140   HH22  ARG  15          HH22      ARG  15 -21.027 -14.251  22.944
  141    H    LYS  16           HN       LYS  16 -26.181 -19.152  17.140
  142    HA   LYS  16           HA       LYS  16 -27.799 -18.557  19.505
  143    HB2  LYS  16           HB2      LYS  16 -28.874 -19.704  17.441
  144    HB3  LYS  16           HB1      LYS  16 -27.826 -21.119  17.816
  145    HG2  LYS  16           HG2      LYS  16 -28.835 -21.288  20.085
  146    HG3  LYS  16           HG1      LYS  16 -29.858 -19.853  19.750
  147    HD2  LYS  16           HD2      LYS  16 -30.963 -21.084  17.863
  148    HD3  LYS  16           HD1      LYS  16 -29.942 -22.523  18.210
  149    HE2  LYS  16           HE2      LYS  16 -30.966 -22.712  20.494
  150    HE3  LYS  16           HE1      LYS  16 -31.986 -21.251  20.156
  151    HZ1  LYS  16           HZ1      LYS  16 -32.657 -23.809  19.652
  152    HZ2  LYS  16           HZ2      LYS  16 -32.128 -23.289  18.125
  153    HZ3  LYS  16           HZ3      LYS  16 -33.359 -22.442  18.931
  154    H    LYS  17           HN       LYS  17 -25.245 -18.442  20.169
  155    HA   LYS  17           HA       LYS  17 -23.694 -19.332  21.490
  156    HB2  LYS  17           HB2      LYS  17 -25.841 -21.426  22.178
  157    HB3  LYS  17           HB1      LYS  17 -24.344 -21.109  23.124
  158    HG2  LYS  17           HG2      LYS  17 -25.166 -19.177  24.076
  159    HG3  LYS  17           HG1      LYS  17 -26.099 -18.710  22.612
  160    HD2  LYS  17           HD2      LYS  17 -27.822 -20.412  23.130
  161    HD3  LYS  17           HD1      LYS  17 -26.879 -20.965  24.563
  162    HE2  LYS  17           HE2      LYS  17 -27.182 -18.741  25.655
  163    HE3  LYS  17           HE1      LYS  17 -28.047 -18.120  24.187
  164    HZ1  LYS  17           HZ1      LYS  17 -29.890 -19.027  24.900
  165    HZ2  LYS  17           HZ2      LYS  17 -29.115 -19.440  26.354
  166    HZ3  LYS  17           HZ3      LYS  17 -29.182 -20.560  25.080
  Start of MODEL   11
    1    H1   GLU   1           HT1      GLU   1 -10.648  -6.665  -0.497
    2    H2   GLU   1           HT2      GLU   1 -12.271  -6.823  -0.024
    3    H3   GLU   1           HT3      GLU   1 -11.305  -8.207  -0.220
    4    HA   GLU   1           HA       GLU   1  -9.850  -6.900   1.540
    5    HB2  GLU   1           HB2      GLU   1 -11.673  -5.098   1.618
    6    HB3  GLU   1           HB1      GLU   1 -12.774  -6.343   2.306
    7    HG2  GLU   1           HG2      GLU   1 -11.253  -6.626   4.283
    8    HG3  GLU   1           HG1      GLU   1 -10.121  -5.395   3.592
    9    H    MET   2           HN       MET   2 -12.907  -8.778   1.193
   10    HA   MET   2           HA       MET   2 -11.701 -10.738   3.003
   11    HB2  MET   2           HB2      MET   2 -14.679  -9.997   2.924
   12    HB3  MET   2           HB1      MET   2 -13.943 -11.308   3.909
   13    HG2  MET   2           HG2      MET   2 -12.636  -9.641   5.209
   14    HG3  MET   2           HG1      MET   2 -13.307  -8.312   4.211
   15    HE1  MET   2           HE1      MET   2 -13.238  -8.093   7.109
   16    HE2  MET   2           HE2      MET   2 -14.891  -7.632   7.645
   17    HE3  MET   2           HE3      MET   2 -14.191  -6.899   6.159
   18    H    ARG   3           HN       ARG   3 -12.524 -12.956   2.581
   19    HA   ARG   3           HA       ARG   3 -13.688 -13.083  -0.097
   20    HB2  ARG   3           HB2      ARG   3 -12.320 -15.571   0.676
   21    HB3  ARG   3           HB1      ARG   3 -12.078 -14.573  -0.799
   22    HG2  ARG   3           HG2      ARG   3  -9.971 -14.333   0.076
   23    HG3  ARG   3           HG1      ARG   3 -10.748 -12.992   0.980
   24    HD2  ARG   3           HD2      ARG   3  -9.596 -14.193   2.699
   25    HD3  ARG   3           HD1      ARG   3 -11.273 -14.895   2.807
   26    HE   ARG   3           HE       ARG   3  -9.709 -16.415   0.906
   27   HH11  ARG   3          HH11      ARG   3 -10.031 -15.696   4.379
   28   HH12  ARG   3          HH12      ARG   3  -9.434 -17.231   4.910
   29   HH21  ARG   3          HH21      ARG   3  -8.896 -18.505   1.627
   30   HH22  ARG   3          HH22      ARG   3  -8.777 -18.856   3.318
   31    H    LEU   4           HN       LEU   4 -14.681 -12.993   2.798
   32    HA   LEU   4           HA       LEU   4 -15.832 -15.646   2.968
   33    HB2  LEU   4           HB2      LEU   4 -15.763 -13.264   4.879
   34    HB3  LEU   4           HB1      LEU   4 -16.870 -14.660   5.146
   35    HG   LEU   4           HG       LEU   4 -13.840 -14.907   4.779
   36   HD11  LEU   4          HD11      LEU   4 -13.741 -15.322   7.254
   37   HD12  LEU   4          HD12      LEU   4 -15.486 -14.882   7.385
   38   HD13  LEU   4          HD13      LEU   4 -14.282 -13.647   6.852
   39   HD21  LEU   4          HD21      LEU   4 -14.300 -17.099   4.483
   40   HD22  LEU   4          HD22      LEU   4 -16.060 -16.835   4.802
   41   HD23  LEU   4          HD23      LEU   4 -14.926 -17.159   6.175
   42    H    SER   5           HN       SER   5 -18.206 -15.704   3.676
   43    HA   SER   5           HA       SER   5 -19.654 -13.736   2.073
   44    HB2  SER   5           HB2      SER   5 -19.413 -16.173   1.069
   45    HB3  SER   5           HB1      SER   5 -20.513 -16.661   2.413
   46    HG   SER   5           HG       SER   5 -20.989 -15.150   0.127
   47    H    DPP   6           HN       DPP   6 -22.244 -15.140   2.884
   48    HA   DPP   6           HA       DPP   6 -22.422 -13.745   5.365
   49    HB2  DPP   6           HB2      DPP   6 -24.560 -15.599   4.149
   50    HB3  DPP   6           HB3      DPP   6 -24.405 -13.851   3.740
   51    H    PHE   7           HN       PHE   7 -20.497 -15.291   6.042
   52    HA   PHE   7           HA       PHE   7 -21.687 -17.644   7.344
   53    HB2  PHE   7           HB2      PHE   7 -19.524 -18.482   6.716
   54    HB3  PHE   7           HB1      PHE   7 -18.828 -16.807   6.618
   55    HD1  PHE   7           HD1      PHE   7 -20.544 -18.462   9.534
   56    HD2  PHE   7           HD2      PHE   7 -16.924 -16.902   7.917
   57    HE1  PHE   7           HE1      PHE   7 -19.556 -18.484  11.771
   58    HE2  PHE   7           HE2      PHE   7 -15.903 -17.042  10.152
   59    HZ   PHE   7           HZ       PHE   7 -17.202 -17.839  12.066
   60    H    PHE   8           HN       PHE   8 -19.111 -15.426   8.259
   61    HA   PHE   8           HA       PHE   8 -19.939 -15.421  10.903
   62    HB2  PHE   8           HB2      PHE   8 -17.934 -14.195  11.297
   63    HB3  PHE   8           HB1      PHE   8 -17.563 -15.218   9.893
   64    HD1  PHE   8           HD1      PHE   8 -17.380 -12.095  11.227
   65    HD2  PHE   8           HD2      PHE   8 -18.152 -14.170   7.632
   66    HE1  PHE   8           HE1      PHE   8 -16.888 -10.122  10.014
   67    HE2  PHE   8           HE2      PHE   8 -17.636 -12.211   6.358
   68    HZ   PHE   8           HZ       PHE   8 -16.992 -10.141   7.552
   69    H    ARG   9           HN       ARG   9 -20.254 -12.848   8.332
   70    HA   ARG   9           HA       ARG   9 -21.207 -11.153  10.324
   71    HB2  ARG   9           HB2      ARG   9 -22.385  -9.866   8.393
   72    HB3  ARG   9           HB1      ARG   9 -20.595  -9.986   8.341
   73    HG2  ARG   9           HG2      ARG   9 -22.020 -12.236   6.976
   74    HG3  ARG   9           HG1      ARG   9 -22.314 -10.616   6.255
   75    HD2  ARG   9           HD2      ARG   9 -19.589 -10.464   6.612
   76    HD3  ARG   9           HD1      ARG   9 -19.783 -12.259   6.361
   77    HE   ARG   9           HE       ARG   9 -21.344 -11.196   4.334
   78   HH11  ARG   9          HH11      ARG   9 -18.031 -10.542   5.477
   79   HH12  ARG   9          HH12      ARG   9 -17.405 -10.155   3.909
   80   HH21  ARG   9          HH21      ARG   9 -20.490 -10.666   2.209
   81   HH22  ARG   9          HH22      ARG   9 -18.825 -10.229   2.022
   82    H    GLN  10           HN       GLN  10 -22.626 -14.035   9.362
   83    HA   GLN  10           HA       GLN  10 -25.068 -12.986  10.505
   84    HB2  GLN  10           HB2      GLN  10 -24.936 -14.887   8.102
   85    HB3  GLN  10           HB1      GLN  10 -26.444 -14.402   8.949
   86    HG2  GLN  10           HG2      GLN  10 -26.642 -12.620   7.548
   87    HG3  GLN  10           HG1      GLN  10 -25.106 -11.976   8.235
   88   HE21  GLN  10          HE21      GLN  10 -25.509 -15.016   6.247
   89    H    PHE  11           HN       PHE  11 -22.593 -14.534  11.188
   90    HA   PHE  11           HA       PHE  11 -24.044 -16.798  12.341
   91    HB2  PHE  11           HB2      PHE  11 -22.407 -17.687  10.677
   92    HB3  PHE  11           HB1      PHE  11 -21.119 -16.736  11.490
   93    HD1  PHE  11           HD1      PHE  11 -22.885 -19.777  11.356
   94    HD2  PHE  11           HD2      PHE  11 -20.668 -17.190  13.899
   95    HE1  PHE  11           HE1      PHE  11 -22.442 -21.666  12.871
   96    HE2  PHE  11           HE2      PHE  11 -20.203 -19.093  15.411
   97    HZ   PHE  11           HZ       PHE  11 -21.093 -21.325  14.898
   98    H    ILE  12           HN       ILE  12 -21.177 -14.645  12.579
   99    HA   ILE  12           HA       ILE  12 -21.128 -15.155  15.400
  100    HB   ILE  12           HB       ILE  12 -19.707 -12.774  14.904
  101   HG12  ILE  12          HG12      ILE  12 -18.013 -13.833  13.199
  102   HG13  ILE  12          HG11      ILE  12 -19.527 -14.557  12.565
  103   HG21  ILE  12          HG21      ILE  12 -18.649 -15.674  15.178
  104   HG22  ILE  12          HG22      ILE  12 -19.084 -14.578  16.550
  105   HG23  ILE  12          HG23      ILE  12 -17.692 -14.171  15.476
  106   HD11  ILE  12          HD11      ILE  12 -19.248 -12.361  11.529
  107   HD12  ILE  12          HD12      ILE  12 -19.000 -11.595  13.133
  108   HD13  ILE  12          HD13      ILE  12 -20.613 -12.287  12.694
  109    H    LEU  13           HN       LEU  13 -22.673 -13.437  13.151
  110    HA   LEU  13           HA       LEU  13 -23.143 -11.199  14.842
  111    HB2  LEU  13           HB2      LEU  13 -22.683 -11.860  12.114
  112    HB3  LEU  13           HB1      LEU  13 -24.239 -10.916  12.251
  113    HG   LEU  13           HG       LEU  13 -23.049  -9.113  13.481
  114   HD11  LEU  13          HD11      LEU  13 -21.143 -11.143  14.102
  115   HD12  LEU  13          HD12      LEU  13 -21.024  -9.386  14.500
  116   HD13  LEU  13          HD13      LEU  13 -20.264 -10.022  12.992
  117   HD21  LEU  13          HD21      LEU  13 -22.857  -9.572  10.763
  118   HD22  LEU  13          HD22      LEU  13 -21.109  -9.456  11.198
  119   HD23  LEU  13          HD23      LEU  13 -22.233  -8.097  11.586
  120    H    GLN  14           HN       GLN  14 -24.289 -14.226  14.360
  121    HA   GLN  14           HA       GLN  14 -26.840 -13.443  15.391
  122    HB2  GLN  14           HB2      GLN  14 -26.567 -15.228  12.899
  123    HB3  GLN  14           HB1      GLN  14 -28.061 -15.123  13.899
  124    HG2  GLN  14           HG2      GLN  14 -28.217 -12.655  13.388
  125    HG3  GLN  14           HG1      GLN  14 -26.758 -12.802  12.328
  126   HE21  GLN  14          HE21      GLN  14 -27.730 -12.426  10.320
  127   HE22  GLN  14          HE22      GLN  14 -28.931 -13.458   9.621
  128    H    ARG  15           HN       ARG  15 -24.507 -14.291  16.486
  129    HA   ARG  15           HA       ARG  15 -24.645 -17.154  16.739
  130    HB2  ARG  15           HB2      ARG  15 -22.653 -15.086  17.005
  131    HB3  ARG  15           HB1      ARG  15 -22.817 -15.886  18.611
  132    HG2  ARG  15           HG2      ARG  15 -22.526 -18.145  17.453
  133    HG3  ARG  15           HG1      ARG  15 -22.196 -17.272  15.911
  134    HD2  ARG  15           HD2      ARG  15 -20.008 -17.180  16.529
  135    HD3  ARG  15           HD1      ARG  15 -20.486 -16.039  17.860
  136    HE   ARG  15           HE       ARG  15 -21.031 -18.655  18.820
  137   HH11  ARG  15          HH11      ARG  15 -18.265 -16.746  17.643
  138   HH12  ARG  15          HH12      ARG  15 -17.087 -17.565  18.613
  139   HH21  ARG  15          HH21      ARG  15 -19.429 -19.772  20.140
  140   HH22  ARG  15          HH22      ARG  15 -17.761 -19.315  20.057
  141    H    LYS  16           HN       LYS  16 -26.701 -17.437  17.762
  142    HA   LYS  16           HA       LYS  16 -27.046 -16.069  20.302
  143    HB2  LYS  16           HB2      LYS  16 -28.835 -18.117  18.865
  144    HB3  LYS  16           HB1      LYS  16 -29.277 -17.195  20.349
  145    HG2  LYS  16           HG2      LYS  16 -29.058 -15.052  19.085
  146    HG3  LYS  16           HG1      LYS  16 -28.627 -15.977  17.605
  147    HD2  LYS  16           HD2      LYS  16 -30.858 -17.117  17.669
  148    HD3  LYS  16           HD1      LYS  16 -31.289 -16.192  19.150
  149    HE2  LYS  16           HE2      LYS  16 -31.111 -14.039  17.869
  150    HE3  LYS  16           HE1      LYS  16 -30.664 -14.967  16.376
  151    HZ1  LYS  16           HZ1      LYS  16 -33.192 -14.378  17.365
  152    HZ2  LYS  16           HZ2      LYS  16 -32.997 -16.058  17.512
  153    HZ3  LYS  16           HZ3      LYS  16 -32.777 -15.306  16.005
  154    H    LYS  17           HN       LYS  17 -25.325 -18.630  19.148
  155    HA   LYS  17           HA       LYS  17 -24.376 -20.391  20.115
  156    HB2  LYS  17           HB2      LYS  17 -25.307 -18.878  22.558
  157    HB3  LYS  17           HB1      LYS  17 -25.001 -20.630  22.800
  158    HG2  LYS  17           HG2      LYS  17 -22.963 -19.460  23.342
  159    HG3  LYS  17           HG1      LYS  17 -22.695 -20.315  21.784
  160    HD2  LYS  17           HD2      LYS  17 -22.995 -18.237  20.516
  161    HD3  LYS  17           HD1      LYS  17 -23.505 -17.350  21.994
  162    HE2  LYS  17           HE2      LYS  17 -21.220 -17.664  22.983
  163    HE3  LYS  17           HE1      LYS  17 -20.707 -18.580  21.505
  164    HZ1  LYS  17           HZ1      LYS  17 -20.661 -16.718  20.278
  165    HZ2  LYS  17           HZ2      LYS  17 -20.330 -16.015  21.791
  166    HZ3  LYS  17           HZ3      LYS  17 -21.897 -15.932  21.139
  Start of MODEL   12
    1    H1   GLU   1           HT1      GLU   1 -12.641  -6.993  -0.105
    2    H2   GLU   1           HT2      GLU   1 -11.593  -8.331  -0.136
    3    H3   GLU   1           HT3      GLU   1 -11.003  -6.781  -0.506
    4    HA   GLU   1           HA       GLU   1 -10.337  -6.722   1.577
    5    HB2  GLU   1           HB2      GLU   1 -13.362  -6.503   2.100
    6    HB3  GLU   1           HB1      GLU   1 -12.072  -5.924   3.211
    7    HG2  GLU   1           HG2      GLU   1 -12.503  -4.857   0.336
    8    HG3  GLU   1           HG1      GLU   1 -13.123  -4.064   1.836
    9    H    MET   2           HN       MET   2 -13.178  -8.951   1.333
   10    HA   MET   2           HA       MET   2 -11.762 -10.663   3.245
   11    HB2  MET   2           HB2      MET   2 -14.807 -10.320   3.065
   12    HB3  MET   2           HB1      MET   2 -13.937 -11.476   4.133
   13    HG2  MET   2           HG2      MET   2 -13.745  -8.404   4.293
   14    HG3  MET   2           HG1      MET   2 -14.766  -9.437   5.342
   15    HE1  MET   2           HE1      MET   2 -12.051  -8.085   7.744
   16    HE2  MET   2           HE2      MET   2 -13.778  -8.129   7.246
   17    HE3  MET   2           HE3      MET   2 -12.578  -7.235   6.250
   18    H    ARG   3           HN       ARG   3 -12.385 -12.975   2.995
   19    HA   ARG   3           HA       ARG   3 -13.298 -13.430   0.258
   20    HB2  ARG   3           HB2      ARG   3 -12.068 -15.689   0.498
   21    HB3  ARG   3           HB1      ARG   3 -11.007 -14.244   0.351
   22    HG2  ARG   3           HG2      ARG   3 -10.454 -14.247   2.672
   23    HG3  ARG   3           HG1      ARG   3 -11.847 -15.296   3.102
   24    HD2  ARG   3           HD2      ARG   3  -9.776 -16.634   3.226
   25    HD3  ARG   3           HD1      ARG   3 -10.722 -17.195   1.776
   26    HE   ARG   3           HE       ARG   3  -8.900 -15.085   0.993
   27   HH11  ARG   3          HH11      ARG   3  -9.028 -18.479   2.065
   28   HH12  ARG   3          HH12      ARG   3  -7.594 -18.961   1.221
   29   HH21  ARG   3          HH21      ARG   3  -6.949 -15.739  -0.156
   30   HH22  ARG   3          HH22      ARG   3  -6.392 -17.376  -0.064
   31    H    LEU   4           HN       LEU   4 -14.902 -13.000   2.683
   32    HA   LEU   4           HA       LEU   4 -15.941 -15.720   2.938
   33    HB2  LEU   4           HB2      LEU   4 -15.837 -13.480   5.019
   34    HB3  LEU   4           HB1      LEU   4 -16.903 -14.924   5.186
   35    HG   LEU   4           HG       LEU   4 -13.867 -15.036   4.797
   36   HD11  LEU   4          HD11      LEU   4 -13.803 -15.727   7.236
   37   HD12  LEU   4          HD12      LEU   4 -15.538 -15.252   7.373
   38   HD13  LEU   4          HD13      LEU   4 -14.293 -14.010   6.966
   39   HD21  LEU   4          HD21      LEU   4 -15.998 -17.042   4.596
   40   HD22  LEU   4          HD22      LEU   4 -14.892 -17.449   5.971
   41   HD23  LEU   4          HD23      LEU   4 -14.218 -17.213   4.311
   42    H    SER   5           HN       SER   5 -18.276 -15.813   3.483
   43    HA   SER   5           HA       SER   5 -19.633 -13.680   2.010
   44    HB2  SER   5           HB2      SER   5 -19.515 -16.131   1.006
   45    HB3  SER   5           HB1      SER   5 -20.657 -16.552   2.339
   46    HG   SER   5           HG       SER   5 -21.051 -15.141   0.013
   47    H    DPP   6           HN       DPP   6 -22.296 -14.944   2.816
   48    HA   DPP   6           HA       DPP   6 -22.386 -13.571   5.317
   49    HB2  DPP   6           HB2      DPP   6 -24.635 -15.273   4.073
   50    HB3  DPP   6           HB3      DPP   6 -24.377 -13.529   3.701
   51    H    PHE   7           HN       PHE   7 -20.549 -15.264   5.934
   52    HA   PHE   7           HA       PHE   7 -21.874 -17.560   7.199
   53    HB2  PHE   7           HB2      PHE   7 -19.762 -18.505   6.552
   54    HB3  PHE   7           HB1      PHE   7 -18.976 -16.871   6.488
   55    HD1  PHE   7           HD1      PHE   7 -20.773 -18.461   9.389
   56    HD2  PHE   7           HD2      PHE   7 -17.064 -17.135   7.765
   57    HE1  PHE   7           HE1      PHE   7 -19.772 -18.588  11.616
   58    HE2  PHE   7           HE2      PHE   7 -16.039 -17.380   9.987
   59    HZ   PHE   7           HZ       PHE   7 -17.376 -18.113  11.900
   60    H    PHE   8           HN       PHE   8 -19.180 -15.510   8.161
   61    HA   PHE   8           HA       PHE   8 -20.012 -15.527  10.803
   62    HB2  PHE   8           HB2      PHE   8 -17.941 -14.433  11.230
   63    HB3  PHE   8           HB1      PHE   8 -17.630 -15.444   9.802
   64    HD1  PHE   8           HD1      PHE   8 -17.266 -12.373  11.215
   65    HD2  PHE   8           HD2      PHE   8 -18.141 -14.306   7.565
   66    HE1  PHE   8           HE1      PHE   8 -16.646 -10.404  10.056
   67    HE2  PHE   8           HE2      PHE   8 -17.499 -12.347   6.341
   68    HZ   PHE   8           HZ       PHE   8 -16.735 -10.353   7.594
   69    H    ARG   9           HN       ARG   9 -20.180 -12.858   8.311
   70    HA   ARG   9           HA       ARG   9 -21.042 -11.185  10.366
   71    HB2  ARG   9           HB2      ARG   9 -22.156  -9.769   8.472
   72    HB3  ARG   9           HB1      ARG   9 -20.371  -9.960   8.441
   73    HG2  ARG   9           HG2      ARG   9 -21.962 -12.042   6.949
   74    HG3  ARG   9           HG1      ARG   9 -21.988 -10.376   6.275
   75    HD2  ARG   9           HD2      ARG   9 -19.295 -10.608   6.774
   76    HD3  ARG   9           HD1      ARG   9 -19.711 -12.354   6.482
   77    HE   ARG   9           HE       ARG   9 -20.263 -11.819   4.225
   78   HH11  ARG   9          HH11      ARG   9 -19.675  -8.887   6.166
   79   HH12  ARG   9          HH12      ARG   9 -19.576  -7.821   4.805
   80   HH21  ARG   9          HH21      ARG   9 -20.127 -10.370   2.379
   81   HH22  ARG   9          HH22      ARG   9 -19.838  -8.680   2.616
   82    H    GLN  10           HN       GLN  10 -22.619 -13.946   9.304
   83    HA   GLN  10           HA       GLN  10 -24.995 -12.800  10.496
   84    HB2  GLN  10           HB2      GLN  10 -25.000 -14.633   8.036
   85    HB3  GLN  10           HB1      GLN  10 -26.464 -14.055   8.902
   86    HG2  GLN  10           HG2      GLN  10 -26.530 -12.235   7.538
   87    HG3  GLN  10           HG1      GLN  10 -24.954 -11.719   8.243
   88   HE21  GLN  10          HE21      GLN  10 -25.548 -14.678   6.184
   89    H    PHE  11           HN       PHE  11 -22.615 -14.497  11.131
   90    HA   PHE  11           HA       PHE  11 -24.188 -16.717  12.206
   91    HB2  PHE  11           HB2      PHE  11 -22.613 -17.647  10.507
   92    HB3  PHE  11           HB1      PHE  11 -21.269 -16.798  11.340
   93    HD1  PHE  11           HD1      PHE  11 -23.217 -19.725  11.127
   94    HD2  PHE  11           HD2      PHE  11 -20.832 -17.358  13.731
   95    HE1  PHE  11           HE1      PHE  11 -22.904 -21.676  12.594
   96    HE2  PHE  11           HE2      PHE  11 -20.500 -19.324  15.196
   97    HZ   PHE  11           HZ       PHE  11 -21.535 -21.478  14.627
   98    H    ILE  12           HN       ILE  12 -21.212 -14.728  12.502
   99    HA   ILE  12           HA       ILE  12 -21.187 -15.335  15.306
  100    HB   ILE  12           HB       ILE  12 -19.620 -13.035  14.885
  101   HG12  ILE  12          HG12      ILE  12 -18.001 -14.134  13.135
  102   HG13  ILE  12          HG11      ILE  12 -19.559 -14.744  12.485
  103   HG21  ILE  12          HG21      ILE  12 -19.005 -14.807  16.484
  104   HG22  ILE  12          HG22      ILE  12 -17.674 -14.682  15.273
  105   HG23  ILE  12          HG23      ILE  12 -18.874 -16.026  15.157
  106   HD11  ILE  12          HD11      ILE  12 -19.143 -12.532  11.523
  107   HD12  ILE  12          HD12      ILE  12 -18.859 -11.838  13.154
  108   HD13  ILE  12          HD13      ILE  12 -20.507 -12.420  12.688
  109    H    LEU  13           HN       LEU  13 -22.653 -13.476  13.127
  110    HA   LEU  13           HA       LEU  13 -22.979 -11.260  14.884
  111    HB2  LEU  13           HB2      LEU  13 -22.553 -11.858  12.135
  112    HB3  LEU  13           HB1      LEU  13 -24.051 -10.830  12.302
  113    HG   LEU  13           HG       LEU  13 -22.758  -9.142  13.592
  114   HD11  LEU  13          HD11      LEU  13 -20.749  -9.562  14.592
  115   HD12  LEU  13          HD12      LEU  13 -20.031 -10.189  13.060
  116   HD13  LEU  13          HD13      LEU  13 -20.968 -11.296  14.134
  117   HD21  LEU  13          HD21      LEU  13 -22.608  -9.510  10.863
  118   HD22  LEU  13          HD22      LEU  13 -20.853  -9.526  11.285
  119   HD23  LEU  13          HD23      LEU  13 -21.880  -8.110  11.731
  120    H    GLN  14           HN       GLN  14 -24.288 -14.195  14.299
  121    HA   GLN  14           HA       GLN  14 -26.795 -13.338  15.373
  122    HB2  GLN  14           HB2      GLN  14 -26.641 -15.036  12.806
  123    HB3  GLN  14           HB1      GLN  14 -28.126 -14.839  13.805
  124    HG2  GLN  14           HG2      GLN  14 -28.099 -12.361  13.352
  125    HG3  GLN  14           HG1      GLN  14 -26.636 -12.580  12.311
  126   HE21  GLN  14          HE21      GLN  14 -28.714 -11.492  11.002
  127   HE22  GLN  14          HE22      GLN  14 -29.521 -12.633   9.981
  128    H    ARG  15           HN       ARG  15 -24.554 -14.307  16.453
  129    HA   ARG  15           HA       ARG  15 -24.746 -17.178  16.496
  130    HB2  ARG  15           HB2      ARG  15 -22.690 -15.230  16.856
  131    HB3  ARG  15           HB1      ARG  15 -22.914 -16.021  18.460
  132    HG2  ARG  15           HG2      ARG  15 -22.751 -18.294  17.271
  133    HG3  ARG  15           HG1      ARG  15 -22.284 -17.406  15.768
  134    HD2  ARG  15           HD2      ARG  15 -20.154 -17.825  16.631
  135    HD3  ARG  15           HD1      ARG  15 -20.497 -16.258  17.488
  136    HE   ARG  15           HE       ARG  15 -21.546 -18.383  19.098
  137   HH11  ARG  15          HH11      ARG  15 -18.449 -17.125  17.865
  138   HH12  ARG  15          HH12      ARG  15 -17.512 -17.686  19.208
  139   HH21  ARG  15          HH21      ARG  15 -20.278 -19.147  20.920
  140   HH22  ARG  15          HH22      ARG  15 -18.570 -18.857  20.978
  141    H    LYS  16           HN       LYS  16 -26.748 -17.576  17.502
  142    HA   LYS  16           HA       LYS  16 -27.519 -16.316  19.874
  143    HB2  LYS  16           HB2      LYS  16 -28.192 -19.111  18.796
  144    HB3  LYS  16           HB1      LYS  16 -28.989 -18.368  20.229
  145    HG2  LYS  16           HG2      LYS  16 -29.795 -16.480  18.804
  146    HG3  LYS  16           HG1      LYS  16 -29.006 -17.230  17.374
  147    HD2  LYS  16           HD2      LYS  16 -30.460 -19.251  17.628
  148    HD3  LYS  16           HD1      LYS  16 -31.242 -18.512  19.067
  149    HE2  LYS  16           HE2      LYS  16 -32.103 -16.629  17.644
  150    HE3  LYS  16           HE1      LYS  16 -31.305 -17.367  16.193
  151    HZ1  LYS  16           HZ1      LYS  16 -32.860 -19.301  17.535
  152    HZ2  LYS  16           HZ2      LYS  16 -33.016 -18.684  15.960
  153    HZ3  LYS  16           HZ3      LYS  16 -33.804 -17.917  17.255
  154    H    LYS  17           HN       LYS  17 -25.490 -19.130  19.101
  155    HA   LYS  17           HA       LYS  17 -24.566 -19.061  21.857
  156    HB2  LYS  17           HB2      LYS  17 -26.120 -21.325  20.629
  157    HB3  LYS  17           HB1      LYS  17 -24.574 -21.807  21.412
  158    HG2  LYS  17           HG2      LYS  17 -25.958 -21.973  23.250
  159    HG3  LYS  17           HG1      LYS  17 -25.512 -20.239  23.405
  160    HD2  LYS  17           HD2      LYS  17 -27.650 -19.799  21.905
  161    HD3  LYS  17           HD1      LYS  17 -28.112 -21.476  22.357
  162    HE2  LYS  17           HE2      LYS  17 -29.188 -20.083  23.997
  163    HE3  LYS  17           HE1      LYS  17 -27.714 -20.705  24.851
  164    HZ1  LYS  17           HZ1      LYS  17 -26.935 -18.673  25.018
  165    HZ2  LYS  17           HZ2      LYS  17 -28.449 -18.100  24.509
  166    HZ3  LYS  17           HZ3      LYS  17 -27.194 -18.306  23.377
  Start of MODEL   13
    1    H1   GLU   1           HT1      GLU   1  -9.433  -7.380   2.942
    2    H2   GLU   1           HT2      GLU   1  -9.574  -7.212   1.257
    3    H3   GLU   1           HT3      GLU   1  -8.277  -6.484   2.077
    4    HA   GLU   1           HA       GLU   1  -7.919  -8.658   0.797
    5    HB2  GLU   1           HB2      GLU   1  -6.134  -9.321   2.415
    6    HB3  GLU   1           HB1      GLU   1  -6.194  -7.537   2.192
    7    HG2  GLU   1           HG2      GLU   1  -7.551  -7.332   4.328
    8    HG3  GLU   1           HG1      GLU   1  -7.394  -9.117   4.569
    9    H    MET   2           HN       MET   2 -10.661  -8.845   2.232
   10    HA   MET   2           HA       MET   2 -10.323 -11.669   2.942
   11    HB2  MET   2           HB2      MET   2 -12.170  -9.654   4.344
   12    HB3  MET   2           HB1      MET   2 -12.182 -11.430   4.613
   13    HG2  MET   2           HG2      MET   2  -9.844 -11.332   5.473
   14    HG3  MET   2           HG1      MET   2  -9.798  -9.565   5.177
   15    HE1  MET   2           HE1      MET   2  -9.706  -9.778   9.024
   16    HE2  MET   2           HE2      MET   2  -9.033  -9.018   7.539
   17    HE3  MET   2           HE3      MET   2  -8.926 -10.799   7.767
   18    H    ARG   3           HN       ARG   3 -12.240 -12.968   2.437
   19    HA   ARG   3           HA       ARG   3 -14.216 -11.481   0.924
   20    HB2  ARG   3           HB2      ARG   3 -12.591 -12.540  -0.731
   21    HB3  ARG   3           HB1      ARG   3 -12.943 -14.132   0.033
   22    HG2  ARG   3           HG2      ARG   3 -15.374 -12.614  -0.811
   23    HG3  ARG   3           HG1      ARG   3 -14.279 -13.057  -2.164
   24    HD2  ARG   3           HD2      ARG   3 -15.240 -15.111  -0.053
   25    HD3  ARG   3           HD1      ARG   3 -16.105 -14.804  -1.626
   26    HE   ARG   3           HE       ARG   3 -13.380 -15.241  -2.288
   27   HH11  ARG   3          HH11      ARG   3 -16.060 -16.949  -0.682
   28   HH12  ARG   3          HH12      ARG   3 -15.543 -18.532  -1.159
   29   HH21  ARG   3          HH21      ARG   3 -12.675 -17.392  -2.938
   30   HH22  ARG   3          HH22      ARG   3 -13.584 -18.787  -2.463
   31    H    LEU   4           HN       LEU   4 -16.150 -11.886   1.931
   32    HA   LEU   4           HA       LEU   4 -16.646 -14.643   2.629
   33    HB2  LEU   4           HB2      LEU   4 -16.726 -12.344   4.642
   34    HB3  LEU   4           HB1      LEU   4 -17.749 -13.816   4.844
   35    HG   LEU   4           HG       LEU   4 -14.706 -13.805   4.516
   36   HD11  LEU   4          HD11      LEU   4 -14.936 -12.943   6.679
   37   HD12  LEU   4          HD12      LEU   4 -14.916 -14.717   7.011
   38   HD13  LEU   4          HD13      LEU   4 -16.481 -13.820   6.994
   39   HD21  LEU   4          HD21      LEU   4 -15.086 -15.947   3.837
   40   HD22  LEU   4          HD22      LEU   4 -16.788 -15.955   4.448
   41   HD23  LEU   4          HD23      LEU   4 -15.414 -16.289   5.581
   42    H    SER   5           HN       SER   5 -18.906 -15.092   2.978
   43    HA   SER   5           HA       SER   5 -20.515 -13.163   1.480
   44    HB2  SER   5           HB2      SER   5 -20.187 -15.513   0.478
   45    HB3  SER   5           HB1      SER   5 -21.000 -16.173   1.946
   46    HG   SER   5           HG       SER   5 -22.018 -14.641  -0.179
   47    H    DPP   6           HN       DPP   6 -22.534 -15.502   2.820
   48    HA   DPP   6           HA       DPP   6 -23.438 -13.670   4.786
   49    HB2  DPP   6           HB2      DPP   6 -24.243 -16.486   3.886
   50    HB3  DPP   6           HB3      DPP   6 -25.260 -15.002   3.990
   51    H    PHE   7           HN       PHE   7 -22.875 -17.123   5.615
   52    HA   PHE   7           HA       PHE   7 -22.007 -17.980   7.469
   53    HB2  PHE   7           HB2      PHE   7 -19.851 -18.214   6.418
   54    HB3  PHE   7           HB1      PHE   7 -19.642 -16.419   6.254
   55    HD1  PHE   7           HD1      PHE   7 -20.602 -18.183   9.422
   56    HD2  PHE   7           HD2      PHE   7 -17.531 -16.201   7.233
   57    HE1  PHE   7           HE1      PHE   7 -19.347 -17.889  11.506
   58    HE2  PHE   7           HE2      PHE   7 -16.209 -16.028   9.307
   59    HZ   PHE   7           HZ       PHE   7 -17.102 -16.875  11.426
   60    H    PHE   8           HN       PHE   8 -19.956 -15.205   7.893
   61    HA   PHE   8           HA       PHE   8 -20.623 -15.116  10.564
   62    HB2  PHE   8           HB2      PHE   8 -18.761 -13.686  10.763
   63    HB3  PHE   8           HB1      PHE   8 -18.383 -14.681   9.362
   64    HD1  PHE   8           HD1      PHE   8 -18.376 -11.550  10.636
   65    HD2  PHE   8           HD2      PHE   8 -19.270 -13.734   7.135
   66    HE1  PHE   8           HE1      PHE   8 -18.076  -9.569   9.353
   67    HE2  PHE   8           HE2      PHE   8 -18.962 -11.768   5.809
   68    HZ   PHE   8           HZ       PHE   8 -18.350  -9.641   6.910
   69    H    ARG   9           HN       ARG   9 -21.610 -13.035   7.824
   70    HA   ARG   9           HA       ARG   9 -22.541 -11.140   9.655
   71    HB2  ARG   9           HB2      ARG   9 -23.311 -11.785   6.773
   72    HB3  ARG   9           HB1      ARG   9 -24.240 -10.557   7.700
   73    HG2  ARG   9           HG2      ARG   9 -22.706  -9.016   7.127
   74    HG3  ARG   9           HG1      ARG   9 -21.465  -9.928   8.066
   75    HD2  ARG   9           HD2      ARG   9 -20.889 -11.298   6.108
   76    HD3  ARG   9           HD1      ARG   9 -22.240 -10.560   5.148
   77    HE   ARG   9           HE       ARG   9 -20.544  -8.440   6.126
   78   HH11  ARG   9          HH11      ARG   9 -20.590 -11.189   3.862
   79   HH12  ARG   9          HH12      ARG   9 -19.483 -10.475   2.732
   80   HH21  ARG   9          HH21      ARG   9 -19.046  -7.466   4.586
   81   HH22  ARG   9          HH22      ARG   9 -18.596  -8.322   3.149
   82    H    GLN  10           HN       GLN  10 -23.583 -14.338   9.252
   83    HA   GLN  10           HA       GLN  10 -25.897 -13.540  10.765
   84    HB2  GLN  10           HB2      GLN  10 -27.390 -15.083   9.553
   85    HB3  GLN  10           HB1      GLN  10 -26.761 -13.811   8.456
   86    HG2  GLN  10           HG2      GLN  10 -25.165 -16.390   8.589
   87    HG3  GLN  10           HG1      GLN  10 -26.783 -16.476   7.795
   88   HE21  GLN  10          HE21      GLN  10 -25.158 -17.017   5.981
   89    H    PHE  11           HN       PHE  11 -23.169 -14.718  11.117
   90    HA   PHE  11           HA       PHE  11 -24.102 -17.105  12.496
   91    HB2  PHE  11           HB2      PHE  11 -22.540 -17.862  10.733
   92    HB3  PHE  11           HB1      PHE  11 -21.370 -16.610  11.253
   93    HD1  PHE  11           HD1      PHE  11 -22.513 -19.917  11.676
   94    HD2  PHE  11           HD2      PHE  11 -20.474 -16.701  13.567
   95    HE1  PHE  11           HE1      PHE  11 -21.494 -21.506  13.250
   96    HE2  PHE  11           HE2      PHE  11 -19.429 -18.304  15.134
   97    HZ   PHE  11           HZ       PHE  11 -19.943 -20.700  14.979
   98    H    ILE  12           HN       ILE  12 -21.717 -14.440  12.331
   99    HA   ILE  12           HA       ILE  12 -21.280 -14.746  15.144
  100    HB   ILE  12           HB       ILE  12 -20.397 -12.184  14.367
  101   HG12  ILE  12          HG12      ILE  12 -18.699 -13.113  12.562
  102   HG13  ILE  12          HG11      ILE  12 -20.154 -14.066  12.124
  103   HG21  ILE  12          HG21      ILE  12 -18.894 -14.855  14.811
  104   HG22  ILE  12          HG22      ILE  12 -19.230 -13.572  16.041
  105   HG23  ILE  12          HG23      ILE  12 -18.075 -13.250  14.693
  106   HD11  ILE  12          HD11      ILE  12 -21.517 -11.940  12.250
  107   HD12  ILE  12          HD12      ILE  12 -20.285 -11.938  10.940
  108   HD13  ILE  12          HD13      ILE  12 -19.977 -11.024  12.459
  109    H    LEU  13           HN       LEU  13 -23.192 -13.322  12.910
  110    HA   LEU  13           HA       LEU  13 -23.901 -11.145  14.575
  111    HB2  LEU  13           HB2      LEU  13 -23.643 -11.915  11.841
  112    HB3  LEU  13           HB1      LEU  13 -25.280 -11.161  12.118
  113    HG   LEU  13           HG       LEU  13 -24.279  -9.117  12.973
  114   HD11  LEU  13          HD11      LEU  13 -22.019 -10.856  13.683
  115   HD12  LEU  13          HD12      LEU  13 -22.355  -9.159  14.190
  116   HD13  LEU  13          HD13      LEU  13 -21.418  -9.480  12.683
  117   HD21  LEU  13          HD21      LEU  13 -23.442  -8.240  10.998
  118   HD22  LEU  13          HD22      LEU  13 -24.028  -9.818  10.352
  119   HD23  LEU  13          HD23      LEU  13 -22.277  -9.598  10.744
  120    H    GLN  14           HN       GLN  14 -24.573 -14.322  14.415
  121    HA   GLN  14           HA       GLN  14 -27.067 -13.929  15.728
  122    HB2  GLN  14           HB2      GLN  14 -26.874 -15.722  13.233
  123    HB3  GLN  14           HB1      GLN  14 -28.223 -15.787  14.422
  124    HG2  GLN  14           HG2      GLN  14 -28.780 -13.375  13.895
  125    HG3  GLN  14           HG1      GLN  14 -27.477 -13.375  12.640
  126   HE21  GLN  14          HE21      GLN  14 -28.805 -13.176  10.806
  127   HE22  GLN  14          HE22      GLN  14 -29.925 -14.394  10.301
  128    H    ARG  15           HN       ARG  15 -24.583 -14.338  16.584
  129    HA   ARG  15           HA       ARG  15 -24.124 -17.172  16.751
  130    HB2  ARG  15           HB2      ARG  15 -22.532 -14.808  16.860
  131    HB3  ARG  15           HB1      ARG  15 -22.453 -15.531  18.507
  132    HG2  ARG  15           HG2      ARG  15 -21.861 -17.778  17.407
  133    HG3  ARG  15           HG1      ARG  15 -21.728 -16.907  15.831
  134    HD2  ARG  15           HD2      ARG  15 -19.502 -16.770  16.504
  135    HD3  ARG  15           HD1      ARG  15 -20.125 -15.281  17.341
  136    HE   ARG  15           HE       ARG  15 -20.517 -17.501  19.108
  137   HH11  ARG  15          HH11      ARG  15 -17.904 -15.649  17.548
  138   HH12  ARG  15          HH12      ARG  15 -16.750 -15.921  18.810
  139   HH21  ARG  15          HH21      ARG  15 -18.953 -17.876  20.819
  140   HH22  ARG  15          HH22      ARG  15 -17.357 -17.211  20.703
  141    H    LYS  16           HN       LYS  16 -25.880 -17.965  17.946
  142    HA   LYS  16           HA       LYS  16 -26.754 -16.791  20.321
  143    HB2  LYS  16           HB2      LYS  16 -26.811 -19.720  19.405
  144    HB3  LYS  16           HB1      LYS  16 -27.657 -19.114  20.874
  145    HG2  LYS  16           HG2      LYS  16 -28.928 -17.485  19.394
  146    HG3  LYS  16           HG1      LYS  16 -28.169 -18.269  17.966
  147    HD2  LYS  16           HD2      LYS  16 -29.850 -19.777  20.062
  148    HD3  LYS  16           HD1      LYS  16 -30.526 -19.080  18.550
  149    HE2  LYS  16           HE2      LYS  16 -28.941 -20.528  17.201
  150    HE3  LYS  16           HE1      LYS  16 -28.344 -21.267  18.745
  151    HZ1  LYS  16           HZ1      LYS  16 -31.143 -21.329  18.735
  152    HZ2  LYS  16           HZ2      LYS  16 -30.041 -22.618  18.682
  153    HZ3  LYS  16           HZ3      LYS  16 -30.602 -21.921  17.239
  154    H    LYS  17           HN       LYS  17 -24.167 -19.091  19.501
  155    HA   LYS  17           HA       LYS  17 -23.017 -18.569  22.099
  156    HB2  LYS  17           HB2      LYS  17 -22.476 -21.238  22.100
  157    HB3  LYS  17           HB1      LYS  17 -23.878 -20.548  22.982
  158    HG2  LYS  17           HG2      LYS  17 -24.368 -21.260  20.088
  159    HG3  LYS  17           HG1      LYS  17 -24.047 -22.633  21.198
  160    HD2  LYS  17           HD2      LYS  17 -26.085 -20.461  21.925
  161    HD3  LYS  17           HD1      LYS  17 -26.527 -21.821  20.837
  162    HE2  LYS  17           HE2      LYS  17 -25.844 -23.463  22.634
  163    HE3  LYS  17           HE1      LYS  17 -25.458 -22.073  23.731
  164    HZ1  LYS  17           HZ1      LYS  17 -27.595 -21.698  24.100
  165    HZ2  LYS  17           HZ2      LYS  17 -27.827 -23.290  23.556
  166    HZ3  LYS  17           HZ3      LYS  17 -28.075 -21.985  22.498
  Start of MODEL   14
    1    H1   GLU   1           HT1      GLU   1 -10.568 -14.644  -3.444
    2    H2   GLU   1           HT2      GLU   1 -12.063 -14.838  -2.662
    3    H3   GLU   1           HT3      GLU   1 -10.807 -13.991  -1.893
    4    HA   GLU   1           HA       GLU   1 -11.050 -12.652  -4.197
    5    HB2  GLU   1           HB2      GLU   1 -13.154 -14.038  -4.645
    6    HB3  GLU   1           HB1      GLU   1 -13.873 -13.299  -3.172
    7    HG2  GLU   1           HG2      GLU   1 -13.704 -11.020  -4.196
    8    HG3  GLU   1           HG1      GLU   1 -12.927 -11.728  -5.669
    9    H    MET   2           HN       MET   2 -12.634 -13.066  -0.964
   10    HA   MET   2           HA       MET   2 -11.777 -10.327  -0.405
   11    HB2  MET   2           HB2      MET   2 -14.471 -11.567   0.358
   12    HB3  MET   2           HB1      MET   2 -13.806 -10.061   1.080
   13    HG2  MET   2           HG2      MET   2 -13.843  -8.937  -1.121
   14    HG3  MET   2           HG1      MET   2 -14.367 -10.450  -1.926
   15    HE1  MET   2           HE1      MET   2 -16.662  -7.477   0.710
   16    HE2  MET   2           HE2      MET   2 -14.899  -7.661   0.413
   17    HE3  MET   2           HE3      MET   2 -15.725  -8.724   1.605
   18    H    ARG   3           HN       ARG   3 -11.681  -9.927   1.989
   19    HA   ARG   3           HA       ARG   3 -10.405 -12.126   3.147
   20    HB2  ARG   3           HB2      ARG   3  -9.755  -9.754   3.698
   21    HB3  ARG   3           HB1      ARG   3 -11.361  -9.536   4.471
   22    HG2  ARG   3           HG2      ARG   3 -10.820 -11.263   6.166
   23    HG3  ARG   3           HG1      ARG   3  -9.242 -11.584   5.364
   24    HD2  ARG   3           HD2      ARG   3  -8.492  -9.239   5.865
   25    HD3  ARG   3           HD1      ARG   3 -10.094  -8.900   6.662
   26    HE   ARG   3           HE       ARG   3  -8.991 -11.254   7.868
   27   HH11  ARG   3          HH11      ARG   3  -8.340  -7.773   7.492
   28   HH12  ARG   3          HH12      ARG   3  -7.527  -7.601   9.011
   29   HH21  ARG   3          HH21      ARG   3  -7.886 -11.024   9.937
   30   HH22  ARG   3          HH22      ARG   3  -7.264  -9.484  10.426
   31    H    LEU   4           HN       LEU   4 -13.623 -10.631   3.437
   32    HA   LEU   4           HA       LEU   4 -14.516 -13.073   4.696
   33    HB2  LEU   4           HB2      LEU   4 -15.889 -11.688   6.400
   34    HB3  LEU   4           HB1      LEU   4 -14.135 -11.843   6.749
   35    HG   LEU   4           HG       LEU   4 -13.764  -9.597   5.632
   36   HD11  LEU   4          HD11      LEU   4 -16.089  -8.174   5.747
   37   HD12  LEU   4          HD12      LEU   4 -16.766  -9.778   5.269
   38   HD13  LEU   4          HD13      LEU   4 -15.511  -8.989   4.243
   39   HD21  LEU   4          HD21      LEU   4 -15.204 -10.091   8.223
   40   HD22  LEU   4          HD22      LEU   4 -15.237  -8.387   7.634
   41   HD23  LEU   4          HD23      LEU   4 -13.659  -9.223   7.889
   42    H    SER   5           HN       SER   5 -17.121 -12.746   5.001
   43    HA   SER   5           HA       SER   5 -18.203 -10.854   3.195
   44    HB2  SER   5           HB2      SER   5 -17.427 -12.517   1.478
   45    HB3  SER   5           HB1      SER   5 -18.301 -13.824   2.367
   46    HG   SER   5           HG       SER   5 -19.322 -11.590   0.965
   47    H    DPP   6           HN       DPP   6 -19.214 -14.253   4.087
   48    HA   DPP   6           HA       DPP   6 -21.521 -13.020   5.333
   49    HB2  DPP   6           HB2      DPP   6 -20.775 -15.868   4.476
   50    HB3  DPP   6           HB3      DPP   6 -22.287 -14.951   4.136
   51    H    PHE   7           HN       PHE   7 -20.141 -15.983   6.708
   52    HA   PHE   7           HA       PHE   7 -19.461 -16.443   8.744
   53    HB2  PHE   7           HB2      PHE   7 -17.224 -15.576   8.459
   54    HB3  PHE   7           HB1      PHE   7 -17.828 -13.877   8.248
   55    HD1  PHE   7           HD1      PHE   7 -18.865 -16.145  11.037
   56    HD2  PHE   7           HD2      PHE   7 -16.456 -12.830   9.855
   57    HE1  PHE   7           HE1      PHE   7 -18.633 -15.509  13.389
   58    HE2  PHE   7           HE2      PHE   7 -16.124 -12.268  12.230
   59    HZ   PHE   7           HZ       PHE   7 -17.193 -13.600  13.987
   60    H    PHE   8           HN       PHE   8 -19.185 -13.051   9.521
   61    HA   PHE   8           HA       PHE   8 -20.593 -13.517  11.854
   62    HB2  PHE   8           HB2      PHE   8 -19.782 -11.416  12.537
   63    HB3  PHE   8           HB1      PHE   8 -18.559 -12.000  11.403
   64    HD1  PHE   8           HD1      PHE   8 -20.458  -9.362  12.374
   65    HD2  PHE   8           HD2      PHE   8 -18.996 -11.364   8.960
   66    HE1  PHE   8           HE1      PHE   8 -20.763  -7.374  11.113
   67    HE2  PHE   8           HE2      PHE   8 -19.263  -9.375   7.657
   68    HZ   PHE   8           HZ       PHE   8 -20.159  -7.340   8.724
   69    H    ARG   9           HN       ARG   9 -21.603 -11.630   8.898
   70    HA   ARG   9           HA       ARG   9 -23.817 -10.803  10.409
   71    HB2  ARG   9           HB2      ARG   9 -24.971 -10.566   8.001
   72    HB3  ARG   9           HB1      ARG   9 -23.676  -9.435   8.515
   73    HG2  ARG   9           HG2      ARG   9 -22.693 -11.929   7.172
   74    HG3  ARG   9           HG1      ARG   9 -23.703 -10.858   6.139
   75    HD2  ARG   9           HD2      ARG   9 -21.867  -9.151   7.620
   76    HD3  ARG   9           HD1      ARG   9 -20.910 -10.525   6.907
   77    HE   ARG   9           HE       ARG   9 -21.431  -9.708   4.739
   78   HH11  ARG   9          HH11      ARG   9 -23.439  -8.111   7.218
   79   HH12  ARG   9          HH12      ARG   9 -24.059  -6.897   6.152
   80   HH21  ARG   9          HH21      ARG   9 -22.279  -8.057   3.295
   81   HH22  ARG   9          HH22      ARG   9 -23.388  -6.866   3.885
   82    H    GLN  10           HN       GLN  10 -23.050 -13.928   9.776
   83    HA   GLN  10           HA       GLN  10 -25.815 -14.516  10.220
   84    HB2  GLN  10           HB2      GLN  10 -25.906 -16.338   8.585
   85    HB3  GLN  10           HB1      GLN  10 -25.512 -14.805   7.744
   86    HG2  GLN  10           HG2      GLN  10 -23.126 -16.424   8.649
   87    HG3  GLN  10           HG1      GLN  10 -24.137 -17.184   7.365
   88   HE21  GLN  10          HE21      GLN  10 -22.019 -16.854   6.200
   89    H    PHE  11           HN       PHE  11 -23.108 -14.364  11.567
   90    HA   PHE  11           HA       PHE  11 -23.246 -17.060  12.667
   91    HB2  PHE  11           HB2      PHE  11 -21.042 -16.859  11.553
   92    HB3  PHE  11           HB1      PHE  11 -20.788 -15.285  12.374
   93    HD1  PHE  11           HD1      PHE  11 -20.413 -18.799  12.557
   94    HD2  PHE  11           HD2      PHE  11 -20.720 -15.235  14.858
   95    HE1  PHE  11           HE1      PHE  11 -19.381 -19.955  14.462
   96    HE2  PHE  11           HE2      PHE  11 -19.659 -16.395  16.766
   97    HZ   PHE  11           HZ       PHE  11 -18.993 -18.751  16.568
   98    H    ILE  12           HN       ILE  12 -22.379 -13.621  13.158
   99    HA   ILE  12           HA       ILE  12 -22.732 -14.006  15.976
  100    HB   ILE  12           HB       ILE  12 -22.858 -11.251  15.450
  101   HG12  ILE  12          HG12      ILE  12 -20.520 -11.114  14.249
  102   HG13  ILE  12          HG11      ILE  12 -21.170 -12.568  13.427
  103   HG21  ILE  12          HG21      ILE  12 -21.714 -12.152  17.420
  104   HG22  ILE  12          HG22      ILE  12 -20.464 -11.289  16.447
  105   HG23  ILE  12          HG23      ILE  12 -20.560 -13.091  16.395
  106   HD11  ILE  12          HD11      ILE  12 -23.332 -11.336  13.046
  107   HD12  ILE  12          HD12      ILE  12 -21.927 -10.599  12.197
  108   HD13  ILE  12          HD13      ILE  12 -22.553  -9.849  13.708
  109    H    LEU  13           HN       LEU  13 -24.348 -13.473  13.217
  110    HA   LEU  13           HA       LEU  13 -26.412 -11.965  14.467
  111    HB2  LEU  13           HB2      LEU  13 -24.997 -12.183  12.004
  112    HB3  LEU  13           HB1      LEU  13 -26.788 -12.315  11.684
  113    HG   LEU  13           HG       LEU  13 -27.196 -10.178  12.831
  114   HD11  LEU  13          HD11      LEU  13 -25.830  -9.364  14.458
  115   HD12  LEU  13          HD12      LEU  13 -24.470  -9.195  13.285
  116   HD13  LEU  13          HD13      LEU  13 -24.695 -10.740  14.187
  117   HD21  LEU  13          HD21      LEU  13 -26.512  -8.812  11.106
  118   HD22  LEU  13          HD22      LEU  13 -25.979 -10.371  10.374
  119   HD23  LEU  13          HD23      LEU  13 -24.782  -9.319  11.230
  120    H    GLN  14           HN       GLN  14 -25.477 -15.054  14.241
  121    HA   GLN  14           HA       GLN  14 -28.143 -15.971  14.628
  122    HB2  GLN  14           HB2      GLN  14 -26.364 -17.201  12.433
  123    HB3  GLN  14           HB1      GLN  14 -27.836 -17.990  13.104
  124    HG2  GLN  14           HG2      GLN  14 -29.234 -16.048  12.292
  125    HG3  GLN  14           HG1      GLN  14 -27.752 -15.315  11.558
  126   HE21  GLN  14          HE21      GLN  14 -28.306 -15.527   9.373
  127   HE22  GLN  14          HE22      GLN  14 -28.518 -17.050   8.578
  128    H    ARG  15           HN       ARG  15 -26.156 -15.305  16.262
  129    HA   ARG  15           HA       ARG  15 -24.510 -17.614  16.715
  130    HB2  ARG  15           HB2      ARG  15 -24.329 -14.816  17.203
  131    HB3  ARG  15           HB1      ARG  15 -24.453 -15.582  18.827
  132    HG2  ARG  15           HG2      ARG  15 -22.573 -17.184  18.139
  133    HG3  ARG  15           HG1      ARG  15 -22.371 -16.212  16.630
  134    HD2  ARG  15           HD2      ARG  15 -20.789 -15.157  17.996
  135    HD3  ARG  15           HD1      ARG  15 -22.255 -14.163  18.416
  136    HE   ARG  15           HE       ARG  15 -22.229 -16.395  20.187
  137   HH11  ARG  15          HH11      ARG  15 -20.224 -13.571  19.351
  138   HH12  ARG  15          HH12      ARG  15 -19.566 -13.376  20.941
  139   HH21  ARG  15          HH21      ARG  15 -21.341 -16.131  22.345
  140   HH22  ARG  15          HH22      ARG  15 -20.213 -14.858  22.675
  141    H    LYS  16           HN       LYS  16 -25.974 -19.251  17.306
  142    HA   LYS  16           HA       LYS  16 -27.977 -18.873  19.215
  143    HB2  LYS  16           HB2      LYS  16 -26.383 -21.390  18.477
  144    HB3  LYS  16           HB1      LYS  16 -27.821 -21.396  19.560
  145    HG2  LYS  16           HG2      LYS  16 -29.219 -20.465  17.705
  146    HG3  LYS  16           HG1      LYS  16 -27.781 -20.482  16.625
  147    HD2  LYS  16           HD2      LYS  16 -27.616 -22.958  16.854
  148    HD3  LYS  16           HD1      LYS  16 -29.010 -22.962  17.987
  149    HE2  LYS  16           HE2      LYS  16 -29.766 -23.627  15.717
  150    HE3  LYS  16           HE1      LYS  16 -30.472 -22.009  16.131
  151    HZ1  LYS  16           HZ1      LYS  16 -28.934 -22.697  13.943
  152    HZ2  LYS  16           HZ2      LYS  16 -27.940 -21.710  14.904
  153    HZ3  LYS  16           HZ3      LYS  16 -29.464 -21.152  14.405
  154    H    LYS  17           HN       LYS  17 -24.514 -19.677  19.389
  155    HA   LYS  17           HA       LYS  17 -24.732 -19.283  22.291
  156    HB2  LYS  17           HB2      LYS  17 -23.643 -21.661  20.814
  157    HB3  LYS  17           HB1      LYS  17 -22.524 -20.975  22.042
  158    HG2  LYS  17           HG2      LYS  17 -23.779 -22.673  23.174
  159    HG3  LYS  17           HG1      LYS  17 -24.455 -21.103  23.732
  160    HD2  LYS  17           HD2      LYS  17 -26.370 -21.330  22.175
  161    HD3  LYS  17           HD1      LYS  17 -25.669 -22.834  21.487
  162    HE2  LYS  17           HE2      LYS  17 -25.906 -23.973  23.716
  163    HE3  LYS  17           HE1      LYS  17 -26.608 -22.452  24.411
  164    HZ1  LYS  17           HZ1      LYS  17 -27.718 -24.092  22.193
  165    HZ2  LYS  17           HZ2      LYS  17 -28.352 -22.608  22.720
  166    HZ3  LYS  17           HZ3      LYS  17 -28.325 -23.942  23.770
  Start of MODEL   15
    1    H1   GLU   1           HT1      GLU   1 -12.371  -5.309   2.410
    2    H2   GLU   1           HT2      GLU   1 -13.388  -6.666   2.502
    3    H3   GLU   1           HT3      GLU   1 -13.295  -5.771   1.062
    4    HA   GLU   1           HA       GLU   1 -11.836  -7.239   0.385
    5    HB2  GLU   1           HB2      GLU   1 -10.385  -5.260   1.004
    6    HB3  GLU   1           HB1      GLU   1 -10.109  -6.011   2.615
    7    HG2  GLU   1           HG2      GLU   1  -8.975  -7.969   1.540
    8    HG3  GLU   1           HG1      GLU   1  -9.288  -7.264  -0.096
    9    H    MET   2           HN       MET   2 -12.752  -9.291   0.899
   10    HA   MET   2           HA       MET   2 -11.238 -10.711   2.863
   11    HB2  MET   2           HB2      MET   2 -13.375 -11.718   3.899
   12    HB3  MET   2           HB1      MET   2 -12.901 -10.080   4.487
   13    HG2  MET   2           HG2      MET   2 -14.542  -9.055   2.882
   14    HG3  MET   2           HG1      MET   2 -15.013 -10.693   2.330
   15    HE1  MET   2           HE1      MET   2 -14.713  -8.085   4.860
   16    HE2  MET   2           HE2      MET   2 -14.363  -9.226   6.204
   17    HE3  MET   2           HE3      MET   2 -15.940  -8.365   6.144
   18    H    ARG   3           HN       ARG   3 -12.149 -13.074   2.945
   19    HA   ARG   3           HA       ARG   3 -13.079 -13.671   0.253
   20    HB2  ARG   3           HB2      ARG   3 -11.945 -15.967   0.654
   21    HB3  ARG   3           HB1      ARG   3 -10.843 -14.582   0.343
   22    HG2  ARG   3           HG2      ARG   3 -10.200 -14.397   2.625
   23    HG3  ARG   3           HG1      ARG   3 -11.623 -15.330   3.206
   24    HD2  ARG   3           HD2      ARG   3 -10.690 -17.436   2.424
   25    HD3  ARG   3           HD1      ARG   3  -9.382 -16.584   1.482
   26    HE   ARG   3           HE       ARG   3  -9.183 -15.775   4.229
   27   HH11  ARG   3          HH11      ARG   3  -8.851 -18.644   2.147
   28   HH12  ARG   3          HH12      ARG   3  -7.654 -19.415   3.133
   29   HH21  ARG   3          HH21      ARG   3  -7.553 -16.819   5.572
   30   HH22  ARG   3          HH22      ARG   3  -6.903 -18.357   5.116
   31    H    LEU   4           HN       LEU   4 -14.667 -13.029   2.645
   32    HA   LEU   4           HA       LEU   4 -15.808 -15.693   3.035
   33    HB2  LEU   4           HB2      LEU   4 -15.623 -13.377   5.023
   34    HB3  LEU   4           HB1      LEU   4 -16.751 -14.767   5.237
   35    HG   LEU   4           HG       LEU   4 -13.714 -15.004   4.909
   36   HD11  LEU   4          HD11      LEU   4 -13.710 -15.597   7.360
   37   HD12  LEU   4          HD12      LEU   4 -15.452 -15.132   7.450
   38   HD13  LEU   4          HD13      LEU   4 -14.207 -13.891   7.039
   39   HD21  LEU   4          HD21      LEU   4 -14.845 -17.349   6.124
   40   HD22  LEU   4          HD22      LEU   4 -14.125 -17.185   4.475
   41   HD23  LEU   4          HD23      LEU   4 -15.906 -16.947   4.713
   42    H    SER   5           HN       SER   5 -18.094 -15.777   3.411
   43    HA   SER   5           HA       SER   5 -19.412 -13.637   1.921
   44    HB2  SER   5           HB2      SER   5 -19.382 -16.150   1.062
   45    HB3  SER   5           HB1      SER   5 -20.527 -16.448   2.424
   46    HG   SER   5           HG       SER   5 -21.100 -15.579   0.052
   47    H    DPP   6           HN       DPP   6 -22.113 -14.640   2.790
   48    HA   DPP   6           HA       DPP   6 -21.997 -13.295   5.321
   49    HB2  DPP   6           HB2      DPP   6 -24.552 -14.616   4.292
   50    HB3  DPP   6           HB3      DPP   6 -23.968 -13.080   3.551
   51    H    PHE   7           HN       PHE   7 -20.445 -15.206   5.896
   52    HA   PHE   7           HA       PHE   7 -21.990 -17.440   7.000
   53    HB2  PHE   7           HB2      PHE   7 -19.904 -18.482   6.496
   54    HB3  PHE   7           HB1      PHE   7 -19.066 -16.877   6.389
   55    HD1  PHE   7           HD1      PHE   7 -20.874 -18.501   9.274
   56    HD2  PHE   7           HD2      PHE   7 -17.209 -16.995   7.709
   57    HE1  PHE   7           HE1      PHE   7 -19.883 -18.639  11.507
   58    HE2  PHE   7           HE2      PHE   7 -16.190 -17.253   9.936
   59    HZ   PHE   7           HZ       PHE   7 -17.511 -18.082  11.821
   60    H    PHE   8           HN       PHE   8 -19.327 -15.459   8.136
   61    HA   PHE   8           HA       PHE   8 -20.185 -15.540  10.764
   62    HB2  PHE   8           HB2      PHE   8 -18.119 -14.428  11.202
   63    HB3  PHE   8           HB1      PHE   8 -17.811 -15.418   9.773
   64    HD1  PHE   8           HD1      PHE   8 -17.434 -12.362  11.206
   65    HD2  PHE   8           HD2      PHE   8 -18.323 -14.273   7.549
   66    HE1  PHE   8           HE1      PHE   8 -16.766 -10.404  10.050
   67    HE2  PHE   8           HE2      PHE   8 -17.643 -12.329   6.337
   68    HZ   PHE   8           HZ       PHE   8 -16.839 -10.348   7.591
   69    H    ARG   9           HN       ARG   9 -20.526 -13.042   8.206
   70    HA   ARG   9           HA       ARG   9 -21.255 -11.175  10.123
   71    HB2  ARG   9           HB2      ARG   9 -22.003 -11.411   7.165
   72    HB3  ARG   9           HB1      ARG   9 -22.577 -10.041   8.179
   73    HG2  ARG   9           HG2      ARG   9 -20.665  -8.965   7.684
   74    HG3  ARG   9           HG1      ARG   9 -19.778 -10.199   8.652
   75    HD2  ARG   9           HD2      ARG   9 -18.756 -10.186   6.446
   76    HD3  ARG   9           HD1      ARG   9 -19.788 -11.688   6.517
   77    HE   ARG   9           HE       ARG   9 -21.411  -9.563   5.485
   78   HH11  ARG   9          HH11      ARG   9 -18.484 -11.414   4.655
   79   HH12  ARG   9          HH12      ARG   9 -18.710 -11.302   2.942
   80   HH21  ARG   9          HH21      ARG   9 -21.720  -9.410   3.155
   81   HH22  ARG   9          HH22      ARG   9 -20.581 -10.142   2.076
   82    H    GLN  10           HN       GLN  10 -22.976 -14.037   9.256
   83    HA   GLN  10           HA       GLN  10 -25.147 -12.825  10.754
   84    HB2  GLN  10           HB2      GLN  10 -25.806 -14.802   8.547
   85    HB3  GLN  10           HB1      GLN  10 -26.891 -13.631   9.369
   86    HG2  GLN  10           HG2      GLN  10 -26.616 -12.165   7.649
   87    HG3  GLN  10           HG1      GLN  10 -24.850 -12.094   8.014
   88   HE21  GLN  10          HE21      GLN  10 -24.004 -12.122   5.953
   89    H    PHE  11           HN       PHE  11 -22.766 -14.573  11.121
   90    HA   PHE  11           HA       PHE  11 -24.272 -16.809  12.251
   91    HB2  PHE  11           HB2      PHE  11 -22.709 -17.645  10.483
   92    HB3  PHE  11           HB1      PHE  11 -21.374 -16.799  11.328
   93    HD1  PHE  11           HD1      PHE  11 -23.195 -19.763  10.993
   94    HD2  PHE  11           HD2      PHE  11 -20.950 -17.401  13.723
   95    HE1  PHE  11           HE1      PHE  11 -22.797 -21.763  12.378
   96    HE2  PHE  11           HE2      PHE  11 -20.529 -19.414  15.103
   97    HZ   PHE  11           HZ       PHE  11 -21.456 -21.589  14.431
   98    H    ILE  12           HN       ILE  12 -21.341 -14.752  12.496
   99    HA   ILE  12           HA       ILE  12 -21.228 -15.363  15.292
  100    HB   ILE  12           HB       ILE  12 -19.757 -13.000  14.814
  101   HG12  ILE  12          HG12      ILE  12 -18.141 -14.109  13.054
  102   HG13  ILE  12          HG11      ILE  12 -19.709 -14.729  12.439
  103   HG21  ILE  12          HG21      ILE  12 -17.745 -14.571  15.189
  104   HG22  ILE  12          HG22      ILE  12 -18.900 -15.959  15.124
  105   HG23  ILE  12          HG23      ILE  12 -19.045 -14.718  16.432
  106   HD11  ILE  12          HD11      ILE  12 -18.995 -11.815  13.065
  107   HD12  ILE  12          HD12      ILE  12 -20.657 -12.398  12.660
  108   HD13  ILE  12          HD13      ILE  12 -19.339 -12.524  11.447
  109    H    LEU  13           HN       LEU  13 -22.679 -13.441  13.113
  110    HA   LEU  13           HA       LEU  13 -23.007 -11.261  14.899
  111    HB2  LEU  13           HB2      LEU  13 -22.706 -11.883  12.136
  112    HB3  LEU  13           HB1      LEU  13 -24.188 -10.845  12.368
  113    HG   LEU  13           HG       LEU  13 -22.865  -9.119  13.507
  114   HD11  LEU  13          HD11      LEU  13 -20.943  -9.568  14.640
  115   HD12  LEU  13          HD12      LEU  13 -20.127 -10.117  13.129
  116   HD13  LEU  13          HD13      LEU  13 -21.060 -11.296  14.127
  117   HD21  LEU  13          HD21      LEU  13 -21.886  -8.211  11.623
  118   HD22  LEU  13          HD22      LEU  13 -22.679  -9.613  10.817
  119   HD23  LEU  13          HD23      LEU  13 -20.928  -9.697  11.254
  120    H    GLN  14           HN       GLN  14 -24.354 -14.209  14.368
  121    HA   GLN  14           HA       GLN  14 -26.832 -13.335  15.518
  122    HB2  GLN  14           HB2      GLN  14 -26.704 -15.026  12.950
  123    HB3  GLN  14           HB1      GLN  14 -28.164 -14.908  13.990
  124    HG2  GLN  14           HG2      GLN  14 -26.827 -12.442  12.721
  125    HG3  GLN  14           HG1      GLN  14 -28.145 -13.380  11.907
  126   HE21  GLN  14          HE21      GLN  14 -27.586 -10.696  13.842
  127   HE22  GLN  14          HE22      GLN  14 -29.112 -10.590  14.654
  128    H    ARG  15           HN       ARG  15 -24.488 -14.344  16.460
  129    HA   ARG  15           HA       ARG  15 -24.734 -17.200  16.572
  130    HB2  ARG  15           HB2      ARG  15 -22.658 -15.267  16.883
  131    HB3  ARG  15           HB1      ARG  15 -22.848 -16.060  18.488
  132    HG2  ARG  15           HG2      ARG  15 -22.700 -18.329  17.325
  133    HG3  ARG  15           HG1      ARG  15 -22.331 -17.468  15.779
  134    HD2  ARG  15           HD2      ARG  15 -20.152 -17.858  16.517
  135    HD3  ARG  15           HD1      ARG  15 -20.452 -16.274  17.360
  136    HE   ARG  15           HE       ARG  15 -21.373 -18.347  19.094
  137   HH11  ARG  15          HH11      ARG  15 -18.373 -17.173  17.578
  138   HH12  ARG  15          HH12      ARG  15 -17.334 -17.708  18.856
  139   HH21  ARG  15          HH21      ARG  15 -19.960 -19.075  20.836
  140   HH22  ARG  15          HH22      ARG  15 -18.253 -18.808  20.739
  141    H    LYS  16           HN       LYS  16 -26.727 -17.556  17.614
  142    HA   LYS  16           HA       LYS  16 -27.384 -16.289  20.021
  143    HB2  LYS  16           HB2      LYS  16 -29.070 -17.529  18.589
  144    HB3  LYS  16           HB1      LYS  16 -28.249 -19.066  19.030
  145    HG2  LYS  16           HG2      LYS  16 -28.801 -18.697  21.431
  146    HG3  LYS  16           HG1      LYS  16 -29.579 -17.128  21.023
  147    HD2  LYS  16           HD2      LYS  16 -31.266 -18.312  19.622
  148    HD3  LYS  16           HD1      LYS  16 -30.464 -19.884  19.959
  149    HE2  LYS  16           HE2      LYS  16 -32.458 -19.615  21.420
  150    HE3  LYS  16           HE1      LYS  16 -30.957 -19.564  22.436
  151    HZ1  LYS  16           HZ1      LYS  16 -31.800 -16.997  21.432
  152    HZ2  LYS  16           HZ2      LYS  16 -31.355 -17.483  22.998
  153    HZ3  LYS  16           HZ3      LYS  16 -32.939 -17.745  22.444
  154    H    LYS  17           HN       LYS  17 -25.452 -19.160  19.171
  155    HA   LYS  17           HA       LYS  17 -24.075 -20.394  20.407
  156    HB2  LYS  17           HB2      LYS  17 -24.513 -18.471  22.766
  157    HB3  LYS  17           HB1      LYS  17 -23.150 -19.619  22.544
  158    HG2  LYS  17           HG2      LYS  17 -22.008 -18.225  21.125
  159    HG3  LYS  17           HG1      LYS  17 -23.498 -17.624  20.321
  160    HD2  LYS  17           HD2      LYS  17 -23.986 -16.135  22.215
  161    HD3  LYS  17           HD1      LYS  17 -22.608 -16.811  23.157
  162    HE2  LYS  17           HE2      LYS  17 -20.982 -15.879  21.523
  163    HE3  LYS  17           HE1      LYS  17 -22.338 -15.301  20.466
  164    HZ1  LYS  17           HZ1      LYS  17 -21.877 -14.453  23.280
  165    HZ2  LYS  17           HZ2      LYS  17 -23.048 -13.854  22.205
  166    HZ3  LYS  17           HZ3      LYS  17 -21.399 -13.588  21.899
  Start of MODEL   16
    1    H1   GLU   1           HT1      GLU   1 -16.600 -10.196  -1.140
    2    H2   GLU   1           HT2      GLU   1 -15.141 -10.893  -1.660
    3    H3   GLU   1           HT3      GLU   1 -15.915  -9.727  -2.622
    4    HA   GLU   1           HA       GLU   1 -14.551  -8.287  -1.712
    5    HB2  GLU   1           HB2      GLU   1 -16.410  -8.893   0.654
    6    HB3  GLU   1           HB1      GLU   1 -15.259  -7.509   0.653
    7    HG2  GLU   1           HG2      GLU   1 -16.388  -6.505  -1.321
    8    HG3  GLU   1           HG1      GLU   1 -17.491  -7.932  -1.449
    9    H    MET   2           HN       MET   2 -15.003 -11.009   0.642
   10    HA   MET   2           HA       MET   2 -12.109 -10.915   1.029
   11    HB2  MET   2           HB2      MET   2 -14.197 -11.174   3.255
   12    HB3  MET   2           HB1      MET   2 -12.459 -11.583   3.448
   13    HG2  MET   2           HG2      MET   2 -11.834  -9.227   2.923
   14    HG3  MET   2           HG1      MET   2 -13.560  -8.808   2.687
   15    HE1  MET   2           HE1      MET   2 -12.502  -6.887   5.898
   16    HE2  MET   2           HE2      MET   2 -13.120  -6.813   4.211
   17    HE3  MET   2           HE3      MET   2 -11.430  -7.336   4.526
   18    H    ARG   3           HN       ARG   3 -11.482 -13.009   2.342
   19    HA   ARG   3           HA       ARG   3 -12.374 -15.113   0.794
   20    HB2  ARG   3           HB2      ARG   3 -10.132 -15.168   1.863
   21    HB3  ARG   3           HB1      ARG   3 -10.914 -15.145   3.481
   22    HG2  ARG   3           HG2      ARG   3 -11.842 -17.368   1.704
   23    HG3  ARG   3           HG1      ARG   3 -10.091 -17.426   2.105
   24    HD2  ARG   3           HD2      ARG   3 -10.669 -17.281   4.572
   25    HD3  ARG   3           HD1      ARG   3 -12.434 -17.312   4.131
   26    HE   ARG   3           HE       ARG   3 -11.143 -19.537   2.852
   27   HH11  ARG   3          HH11      ARG   3 -11.976 -18.278   6.078
   28   HH12  ARG   3          HH12      ARG   3 -12.149 -19.837   6.812
   29   HH21  ARG   3          HH21      ARG   3 -11.379 -21.658   3.848
   30   HH22  ARG   3          HH22      ARG   3 -11.804 -21.791   5.522
   31    H    LEU   4           HN       LEU   4 -13.167 -14.049   4.107
   32    HA   LEU   4           HA       LEU   4 -15.018 -16.218   4.399
   33    HB2  LEU   4           HB2      LEU   4 -15.749 -14.873   6.500
   34    HB3  LEU   4           HB1      LEU   4 -14.083 -15.544   6.497
   35    HG   LEU   4           HG       LEU   4 -13.789 -13.001   5.299
   36   HD11  LEU   4          HD11      LEU   4 -15.386 -12.494   7.848
   37   HD12  LEU   4          HD12      LEU   4 -16.234 -12.665   6.260
   38   HD13  LEU   4          HD13      LEU   4 -14.989 -11.375   6.488
   39   HD21  LEU   4          HD21      LEU   4 -12.157 -14.031   6.806
   40   HD22  LEU   4          HD22      LEU   4 -13.301 -13.916   8.198
   41   HD23  LEU   4          HD23      LEU   4 -12.625 -12.414   7.457
   42    H    SER   5           HN       SER   5 -15.176 -12.612   4.013
   43    HA   SER   5           HA       SER   5 -16.732 -11.325   3.128
   44    HB2  SER   5           HB2      SER   5 -16.832 -13.126   1.257
   45    HB3  SER   5           HB1      SER   5 -18.270 -13.785   2.123
   46    HG   SER   5           HG       SER   5 -19.069 -12.370   0.713
   47    H    DPP   6           HN       DPP   6 -19.214 -13.914   3.544
   48    HA   DPP   6           HA       DPP   6 -20.487 -12.144   5.397
   49    HB2  DPP   6           HB2      DPP   6 -21.408 -15.038   4.905
   50    HB3  DPP   6           HB3      DPP   6 -21.710 -13.760   3.675
   51    H    PHE   7           HN       PHE   7 -20.796 -15.520   6.257
   52    HA   PHE   7           HA       PHE   7 -20.071 -16.695   7.989
   53    HB2  PHE   7           HB2      PHE   7 -17.687 -16.679   7.715
   54    HB3  PHE   7           HB1      PHE   7 -17.618 -14.869   7.694
   55    HD1  PHE   7           HD1      PHE   7 -19.216 -17.038  10.303
   56    HD2  PHE   7           HD2      PHE   7 -16.001 -14.422   9.311
   57    HE1  PHE   7           HE1      PHE   7 -18.678 -16.829  12.685
   58    HE2  PHE   7           HE2      PHE   7 -15.414 -14.290  11.699
   59    HZ   PHE   7           HZ       PHE   7 -16.724 -15.504  13.372
   60    H    PHE   8           HN       PHE   8 -18.609 -13.755   9.230
   61    HA   PHE   8           HA       PHE   8 -19.956 -14.102  11.621
   62    HB2  PHE   8           HB2      PHE   8 -18.542 -12.388  12.445
   63    HB3  PHE   8           HB1      PHE   8 -17.595 -13.154  11.158
   64    HD1  PHE   8           HD1      PHE   8 -18.637 -10.207  12.514
   65    HD2  PHE   8           HD2      PHE   8 -17.959 -12.167   8.848
   66    HE1  PHE   8           HE1      PHE   8 -18.473  -8.095  11.440
   67    HE2  PHE   8           HE2      PHE   8 -17.772 -10.065   7.726
   68    HZ   PHE   8           HZ       PHE   8 -18.019  -7.995   9.017
   69    H    ARG   9           HN       ARG   9 -20.513 -11.653   8.988
   70    HA   ARG   9           HA       ARG   9 -22.339 -10.424  10.713
   71    HB2  ARG   9           HB2      ARG   9 -23.456  -9.545   8.489
   72    HB3  ARG   9           HB1      ARG   9 -21.794  -9.001   8.902
   73    HG2  ARG   9           HG2      ARG   9 -21.855 -11.535   7.328
   74    HG3  ARG   9           HG1      ARG   9 -22.597 -10.135   6.478
   75    HD2  ARG   9           HD2      ARG   9 -20.213  -9.095   7.682
   76    HD3  ARG   9           HD1      ARG   9 -19.745 -10.711   6.980
   77    HE   ARG   9           HE       ARG   9 -21.266  -9.556   4.954
   78   HH11  ARG   9          HH11      ARG   9 -18.517  -8.463   6.939
   79   HH12  ARG   9          HH12      ARG   9 -17.829  -7.461   5.706
   80   HH21  ARG   9          HH21      ARG   9 -20.328  -8.198   3.280
   81   HH22  ARG   9          HH22      ARG   9 -18.873  -7.309   3.589
   82    H    GLN  10           HN       GLN  10 -22.535 -13.568   9.676
   83    HA   GLN  10           HA       GLN  10 -25.360 -13.384  10.211
   84    HB2  GLN  10           HB2      GLN  10 -24.602 -15.483   8.206
   85    HB3  GLN  10           HB1      GLN  10 -26.109 -14.518   8.323
   86    HG2  GLN  10           HG2      GLN  10 -25.381 -13.386   6.476
   87    HG3  GLN  10           HG1      GLN  10 -24.187 -12.593   7.564
   88   HE21  GLN  10          HE21      GLN  10 -22.941 -12.461   5.472
   89    H    PHE  11           HN       PHE  11 -22.626 -14.154  11.370
   90    HA   PHE  11           HA       PHE  11 -23.521 -16.796  12.241
   91    HB2  PHE  11           HB2      PHE  11 -21.400 -17.066  10.971
   92    HB3  PHE  11           HB1      PHE  11 -20.664 -15.776  11.977
   93    HD1  PHE  11           HD1      PHE  11 -21.342 -19.229  11.646
   94    HD2  PHE  11           HD2      PHE  11 -20.513 -16.123  14.427
   95    HE1  PHE  11           HE1      PHE  11 -20.636 -20.911  13.295
   96    HE2  PHE  11           HE2      PHE  11 -19.782 -17.815  16.079
   97    HZ   PHE  11           HZ       PHE  11 -19.846 -20.205  15.512
   98    H    ILE  12           HN       ILE  12 -21.660 -13.835  13.024
   99    HA   ILE  12           HA       ILE  12 -21.997 -14.457  15.805
  100    HB   ILE  12           HB       ILE  12 -21.351 -11.724  15.560
  101   HG12  ILE  12          HG12      ILE  12 -19.094 -12.134  14.267
  102   HG13  ILE  12          HG11      ILE  12 -20.156 -13.251  13.344
  103   HG21  ILE  12          HG21      ILE  12 -20.485 -13.145  17.377
  104   HG22  ILE  12          HG22      ILE  12 -19.065 -12.517  16.457
  105   HG23  ILE  12          HG23      ILE  12 -19.626 -14.214  16.198
  106   HD11  ILE  12          HD11      ILE  12 -20.363 -11.024  12.360
  107   HD12  ILE  12          HD12      ILE  12 -20.690 -10.301  13.971
  108   HD13  ILE  12          HD13      ILE  12 -21.888 -11.430  13.220
  109    H    LEU  13           HN       LEU  13 -23.527 -13.216  13.250
  110    HA   LEU  13           HA       LEU  13 -25.019 -11.322  14.762
  111    HB2  LEU  13           HB2      LEU  13 -23.857 -11.692  12.192
  112    HB3  LEU  13           HB1      LEU  13 -25.633 -11.315  11.997
  113    HG   LEU  13           HG       LEU  13 -25.351  -9.285  13.425
  114   HD11  LEU  13          HD11      LEU  13 -23.053 -10.582  14.433
  115   HD12  LEU  13          HD12      LEU  13 -23.513  -8.860  14.729
  116   HD13  LEU  13          HD13      LEU  13 -22.360  -9.268  13.403
  117   HD21  LEU  13          HD21      LEU  13 -24.630  -7.959  11.690
  118   HD22  LEU  13          HD22      LEU  13 -24.589  -9.514  10.782
  119   HD23  LEU  13          HD23      LEU  13 -23.070  -8.850  11.499
  120    H    GLN  14           HN       GLN  14 -24.997 -14.531  14.140
  121    HA   GLN  14           HA       GLN  14 -27.789 -14.709  14.701
  122    HB2  GLN  14           HB2      GLN  14 -26.564 -16.136  12.263
  123    HB3  GLN  14           HB1      GLN  14 -28.153 -16.564  12.990
  124    HG2  GLN  14           HG2      GLN  14 -29.002 -14.240  12.476
  125    HG3  GLN  14           HG1      GLN  14 -27.422 -13.864  11.677
  126   HE21  GLN  14          HE21      GLN  14 -28.102 -13.706   9.531
  127   HE22  GLN  14          HE22      GLN  14 -28.798 -15.015   8.636
  128    H    ARG  15           HN       ARG  15 -25.635 -14.804  16.232
  129    HA   ARG  15           HA       ARG  15 -24.686 -17.515  16.327
  130    HB2  ARG  15           HB2      ARG  15 -23.686 -14.947  17.047
  131    HB3  ARG  15           HB1      ARG  15 -23.924 -15.833  18.599
  132    HG2  ARG  15           HG2      ARG  15 -22.628 -17.804  17.590
  133    HG3  ARG  15           HG1      ARG  15 -22.249 -16.757  16.169
  134    HD2  ARG  15           HD2      ARG  15 -20.354 -16.329  17.465
  135    HD3  ARG  15           HD1      ARG  15 -21.454 -15.051  18.148
  136    HE   ARG  15           HE       ARG  15 -21.892 -17.463  19.629
  137   HH11  ARG  15          HH11      ARG  15 -19.350 -15.056  18.969
  138   HH12  ARG  15          HH12      ARG  15 -18.564 -15.242  20.501
  139   HH21  ARG  15          HH21      ARG  15 -20.828 -17.718  21.707
  140   HH22  ARG  15          HH22      ARG  15 -19.420 -16.783  22.086
  141    H    LYS  16           HN       LYS  16 -26.505 -18.738  16.892
  142    HA   LYS  16           HA       LYS  16 -28.215 -18.037  18.982
  143    HB2  LYS  16           HB2      LYS  16 -27.439 -20.793  17.875
  144    HB3  LYS  16           HB1      LYS  16 -28.759 -20.532  19.071
  145    HG2  LYS  16           HG2      LYS  16 -29.867 -18.958  17.408
  146    HG3  LYS  16           HG1      LYS  16 -28.604 -19.414  16.213
  147    HD2  LYS  16           HD2      LYS  16 -30.465 -21.443  17.594
  148    HD3  LYS  16           HD1      LYS  16 -30.828 -20.671  16.012
  149    HE2  LYS  16           HE2      LYS  16 -28.679 -21.640  15.075
  150    HE3  LYS  16           HE1      LYS  16 -28.397 -22.473  16.661
  151    HZ1  LYS  16           HZ1      LYS  16 -29.569 -24.087  15.765
  152    HZ2  LYS  16           HZ2      LYS  16 -30.189 -23.120  14.514
  153    HZ3  LYS  16           HZ3      LYS  16 -30.946 -23.131  16.033
  154    H    LYS  17           HN       LYS  17 -25.101 -19.748  18.798
  155    HA   LYS  17           HA       LYS  17 -24.888 -19.401  21.674
  156    HB2  LYS  17           HB2      LYS  17 -23.631 -21.862  21.439
  157    HB3  LYS  17           HB1      LYS  17 -25.278 -21.635  22.112
  158    HG2  LYS  17           HG2      LYS  17 -25.067 -21.939  19.105
  159    HG3  LYS  17           HG1      LYS  17 -24.698 -23.385  20.102
  160    HD2  LYS  17           HD2      LYS  17 -26.918 -23.048  21.305
  161    HD3  LYS  17           HD1      LYS  17 -27.291 -21.720  20.154
  162    HE2  LYS  17           HE2      LYS  17 -27.127 -23.340  18.232
  163    HE3  LYS  17           HE1      LYS  17 -26.763 -24.676  19.403
  164    HZ1  LYS  17           HZ1      LYS  17 -29.245 -23.569  18.648
  165    HZ2  LYS  17           HZ2      LYS  17 -29.033 -23.382  20.322
  166    HZ3  LYS  17           HZ3      LYS  17 -28.910 -24.922  19.617
  Start of MODEL   17
    1    H1   GLU   1           HT1      GLU   1  -9.406  -8.768   0.070
    2    H2   GLU   1           HT2      GLU   1  -8.037  -7.834  -0.301
    3    H3   GLU   1           HT3      GLU   1  -9.357  -7.125   0.500
    4    HA   GLU   1           HA       GLU   1  -7.149  -8.579   1.538
    5    HB2  GLU   1           HB2      GLU   1  -9.393  -6.843   2.706
    6    HB3  GLU   1           HB1      GLU   1  -8.078  -7.535   3.722
    7    HG2  GLU   1           HG2      GLU   1  -6.357  -6.279   2.465
    8    HG3  GLU   1           HG1      GLU   1  -7.595  -5.681   1.292
    9    H    MET   2           HN       MET   2 -10.754  -8.766   1.989
   10    HA   MET   2           HA       MET   2 -10.304 -11.495   2.950
   11    HB2  MET   2           HB2      MET   2 -12.240  -9.427   4.134
   12    HB3  MET   2           HB1      MET   2 -12.302 -11.187   4.490
   13    HG2  MET   2           HG2      MET   2  -9.891 -11.008   5.341
   14    HG3  MET   2           HG1      MET   2 -10.026  -9.230   5.167
   15    HE1  MET   2           HE1      MET   2 -12.295  -7.901   7.721
   16    HE2  MET   2           HE2      MET   2 -13.042  -8.456   6.182
   17    HE3  MET   2           HE3      MET   2 -11.387  -7.752   6.175
   18    H    ARG   3           HN       ARG   3 -12.123 -12.932   2.483
   19    HA   ARG   3           HA       ARG   3 -14.108 -11.686   0.776
   20    HB2  ARG   3           HB2      ARG   3 -12.354 -12.818  -0.701
   21    HB3  ARG   3           HB1      ARG   3 -12.694 -14.349   0.183
   22    HG2  ARG   3           HG2      ARG   3 -15.123 -12.991  -0.913
   23    HG3  ARG   3           HG1      ARG   3 -13.947 -13.524  -2.162
   24    HD2  ARG   3           HD2      ARG   3 -14.960 -15.402   0.084
   25    HD3  ARG   3           HD1      ARG   3 -15.753 -15.269  -1.551
   26    HE   ARG   3           HE       ARG   3 -12.984 -15.682  -2.033
   27   HH11  ARG   3          HH11      ARG   3 -15.712 -17.314  -0.428
   28   HH12  ARG   3          HH12      ARG   3 -15.134 -18.917  -0.732
   29   HH21  ARG   3          HH21      ARG   3 -12.196 -17.863  -2.449
   30   HH22  ARG   3          HH22      ARG   3 -13.100 -19.234  -1.901
   31    H    LEU   4           HN       LEU   4 -16.055 -12.087   1.759
   32    HA   LEU   4           HA       LEU   4 -16.470 -14.788   2.679
   33    HB2  LEU   4           HB2      LEU   4 -16.658 -12.342   4.498
   34    HB3  LEU   4           HB1      LEU   4 -17.657 -13.813   4.795
   35    HG   LEU   4           HG       LEU   4 -14.608 -13.752   4.548
   36   HD11  LEU   4          HD11      LEU   4 -14.783 -14.416   7.078
   37   HD12  LEU   4          HD12      LEU   4 -16.454 -13.739   6.993
   38   HD13  LEU   4          HD13      LEU   4 -15.035 -12.687   6.625
   39   HD21  LEU   4          HD21      LEU   4 -16.632 -15.958   4.589
   40   HD22  LEU   4          HD22      LEU   4 -15.287 -16.165   5.782
   41   HD23  LEU   4          HD23      LEU   4 -14.914 -15.951   4.027
   42    H    SER   5           HN       SER   5 -18.770 -15.178   3.206
   43    HA   SER   5           HA       SER   5 -20.407 -13.466   1.485
   44    HB2  SER   5           HB2      SER   5 -19.986 -15.939   0.750
   45    HB3  SER   5           HB1      SER   5 -20.914 -16.413   2.223
   46    HG   SER   5           HG       SER   5 -21.750 -15.054  -0.103
   47    H    DPP   6           HN       DPP   6 -22.631 -15.421   2.773
   48    HA   DPP   6           HA       DPP   6 -23.401 -13.560   4.719
   49    HB2  DPP   6           HB2      DPP   6 -24.370 -16.308   3.831
   50    HB3  DPP   6           HB3      DPP   6 -25.311 -14.785   4.031
   51    H    PHE   7           HN       PHE   7 -22.778 -17.049   5.490
   52    HA   PHE   7           HA       PHE   7 -22.046 -17.911   7.422
   53    HB2  PHE   7           HB2      PHE   7 -19.884 -18.182   6.406
   54    HB3  PHE   7           HB1      PHE   7 -19.644 -16.390   6.241
   55    HD1  PHE   7           HD1      PHE   7 -20.647 -18.148   9.402
   56    HD2  PHE   7           HD2      PHE   7 -17.540 -16.193   7.239
   57    HE1  PHE   7           HE1      PHE   7 -19.397 -17.878  11.491
   58    HE2  PHE   7           HE2      PHE   7 -16.232 -16.037   9.321
   59    HZ   PHE   7           HZ       PHE   7 -17.146 -16.882  11.430
   60    H    PHE   8           HN       PHE   8 -19.971 -15.157   7.867
   61    HA   PHE   8           HA       PHE   8 -20.611 -15.097  10.540
   62    HB2  PHE   8           HB2      PHE   8 -18.758 -13.649  10.734
   63    HB3  PHE   8           HB1      PHE   8 -18.384 -14.638   9.321
   64    HD1  PHE   8           HD1      PHE   8 -18.421 -11.505  10.609
   65    HD2  PHE   8           HD2      PHE   8 -19.293 -13.699   7.111
   66    HE1  PHE   8           HE1      PHE   8 -18.193  -9.513   9.333
   67    HE2  PHE   8           HE2      PHE   8 -19.052 -11.722   5.789
   68    HZ   PHE   8           HZ       PHE   8 -18.485  -9.584   6.892
   69    H    ARG   9           HN       ARG   9 -21.648 -12.920   7.856
   70    HA   ARG   9           HA       ARG   9 -22.536 -11.119   9.812
   71    HB2  ARG   9           HB2      ARG   9 -23.660 -11.513   6.986
   72    HB3  ARG   9           HB1      ARG   9 -24.055 -10.128   8.062
   73    HG2  ARG   9           HG2      ARG   9 -22.345  -9.035   7.091
   74    HG3  ARG   9           HG1      ARG   9 -21.236 -10.150   7.972
   75    HD2  ARG   9           HD2      ARG   9 -21.079 -11.662   6.111
   76    HD3  ARG   9           HD1      ARG   9 -22.501 -10.909   5.274
   77    HE   ARG   9           HE       ARG   9 -19.728  -9.837   5.336
   78   HH11  ARG   9          HH11      ARG   9 -23.194  -9.258   4.735
   79   HH12  ARG   9          HH12      ARG   9 -22.941  -7.900   3.691
   80   HH21  ARG   9          HH21      ARG   9 -19.388  -7.992   3.916
   81   HH22  ARG   9          HH22      ARG   9 -20.742  -7.170   3.218
   82    H    GLN  10           HN       GLN  10 -23.587 -14.265   9.303
   83    HA   GLN  10           HA       GLN  10 -25.912 -13.501  10.813
   84    HB2  GLN  10           HB2      GLN  10 -27.400 -15.021   9.568
   85    HB3  GLN  10           HB1      GLN  10 -26.767 -13.732   8.493
   86    HG2  GLN  10           HG2      GLN  10 -25.155 -16.299   8.582
   87    HG3  GLN  10           HG1      GLN  10 -26.779 -16.398   7.802
   88   HE21  GLN  10          HE21      GLN  10 -25.182 -16.893   5.953
   89    H    PHE  11           HN       PHE  11 -23.182 -14.681  11.145
   90    HA   PHE  11           HA       PHE  11 -24.120 -17.086  12.493
   91    HB2  PHE  11           HB2      PHE  11 -22.560 -17.808  10.702
   92    HB3  PHE  11           HB1      PHE  11 -21.382 -16.580  11.263
   93    HD1  PHE  11           HD1      PHE  11 -22.556 -19.889  11.590
   94    HD2  PHE  11           HD2      PHE  11 -20.509 -16.739  13.583
   95    HE1  PHE  11           HE1      PHE  11 -21.561 -21.527  13.130
   96    HE2  PHE  11           HE2      PHE  11 -19.490 -18.391  15.117
   97    HZ   PHE  11           HZ       PHE  11 -20.021 -20.780  14.893
   98    H    ILE  12           HN       ILE  12 -21.703 -14.450  12.342
   99    HA   ILE  12           HA       ILE  12 -21.255 -14.784  15.149
  100    HB   ILE  12           HB       ILE  12 -20.328 -12.236  14.405
  101   HG12  ILE  12          HG12      ILE  12 -18.682 -13.131  12.545
  102   HG13  ILE  12          HG11      ILE  12 -20.148 -14.072  12.114
  103   HG21  ILE  12          HG21      ILE  12 -18.898 -14.952  14.791
  104   HG22  ILE  12          HG22      ILE  12 -19.137 -13.645  16.019
  105   HG23  ILE  12          HG23      ILE  12 -18.015 -13.385  14.631
  106   HD11  ILE  12          HD11      ILE  12 -19.958 -11.040  12.518
  107   HD12  ILE  12          HD12      ILE  12 -21.503 -11.953  12.304
  108   HD13  ILE  12          HD13      ILE  12 -20.289 -11.915  10.982
  109    H    LEU  13           HN       LEU  13 -23.205 -13.351  12.966
  110    HA   LEU  13           HA       LEU  13 -23.860 -11.167  14.655
  111    HB2  LEU  13           HB2      LEU  13 -23.617 -11.897  11.909
  112    HB3  LEU  13           HB1      LEU  13 -25.255 -11.150  12.199
  113    HG   LEU  13           HG       LEU  13 -24.241  -9.121  13.104
  114   HD11  LEU  13          HD11      LEU  13 -22.258  -9.140  14.221
  115   HD12  LEU  13          HD12      LEU  13 -21.380  -9.536  12.696
  116   HD13  LEU  13          HD13      LEU  13 -21.992 -10.863  13.753
  117   HD21  LEU  13          HD21      LEU  13 -24.053  -9.774  10.451
  118   HD22  LEU  13          HD22      LEU  13 -22.301  -9.517  10.809
  119   HD23  LEU  13          HD23      LEU  13 -23.492  -8.195  11.119
  120    H    GLN  14           HN       GLN  14 -24.576 -14.341  14.431
  121    HA   GLN  14           HA       GLN  14 -27.064 -13.917  15.763
  122    HB2  GLN  14           HB2      GLN  14 -26.898 -15.781  13.314
  123    HB3  GLN  14           HB1      GLN  14 -28.277 -15.714  14.468
  124    HG2  GLN  14           HG2      GLN  14 -28.648 -13.280  13.824
  125    HG3  GLN  14           HG1      GLN  14 -27.354 -13.457  12.574
  126   HE21  GLN  14          HE21      GLN  14 -30.455 -13.090  12.479
  127   HE22  GLN  14          HE22      GLN  14 -30.982 -14.315  11.377
  128    H    ARG  15           HN       ARG  15 -24.557 -14.368  16.594
  129    HA   ARG  15           HA       ARG  15 -24.140 -17.206  16.790
  130    HB2  ARG  15           HB2      ARG  15 -22.539 -14.836  16.897
  131    HB3  ARG  15           HB1      ARG  15 -22.438 -15.588  18.529
  132    HG2  ARG  15           HG2      ARG  15 -21.865 -17.816  17.368
  133    HG3  ARG  15           HG1      ARG  15 -21.736 -16.904  15.819
  134    HD2  ARG  15           HD2      ARG  15 -19.500 -16.855  16.528
  135    HD3  ARG  15           HD1      ARG  15 -20.111 -15.320  17.292
  136    HE   ARG  15           HE       ARG  15 -20.558 -17.493  19.125
  137   HH11  ARG  15          HH11      ARG  15 -17.937 -15.624  17.597
  138   HH12  ARG  15          HH12      ARG  15 -16.830 -15.810  18.915
  139   HH21  ARG  15          HH21      ARG  15 -19.057 -17.744  20.915
  140   HH22  ARG  15          HH22      ARG  15 -17.478 -17.037  20.835
  141    H    LYS  16           HN       LYS  16 -26.008 -17.887  17.989
  142    HA   LYS  16           HA       LYS  16 -26.657 -16.632  20.426
  143    HB2  LYS  16           HB2      LYS  16 -28.096 -18.576  20.887
  144    HB3  LYS  16           HB1      LYS  16 -28.311 -18.048  19.184
  145    HG2  LYS  16           HG2      LYS  16 -26.744 -19.852  18.426
  146    HG3  LYS  16           HG1      LYS  16 -26.543 -20.389  20.129
  147    HD2  LYS  16           HD2      LYS  16 -28.995 -20.870  20.267
  148    HD3  LYS  16           HD1      LYS  16 -29.196 -20.333  18.563
  149    HE2  LYS  16           HE2      LYS  16 -27.681 -22.182  17.792
  150    HE3  LYS  16           HE1      LYS  16 -27.467 -22.720  19.511
  151    HZ1  LYS  16           HZ1      LYS  16 -29.288 -23.881  19.280
  152    HZ2  LYS  16           HZ2      LYS  16 -29.536 -23.305  17.703
  153    HZ3  LYS  16           HZ3      LYS  16 -30.198 -22.471  19.026
  154    H    LYS  17           HN       LYS  17 -24.172 -18.903  19.454
  155    HA   LYS  17           HA       LYS  17 -23.435 -19.061  22.280
  156    HB2  LYS  17           HB2      LYS  17 -24.111 -21.357  20.471
  157    HB3  LYS  17           HB1      LYS  17 -22.505 -21.500  21.268
  158    HG2  LYS  17           HG2      LYS  17 -23.961 -22.588  22.776
  159    HG3  LYS  17           HG1      LYS  17 -23.763 -20.953  23.496
  160    HD2  LYS  17           HD2      LYS  17 -25.938 -20.231  22.536
  161    HD3  LYS  17           HD1      LYS  17 -26.120 -21.813  21.705
  162    HE2  LYS  17           HE2      LYS  17 -26.202 -22.983  23.928
  163    HE3  LYS  17           HE1      LYS  17 -26.017 -21.387  24.769
  164    HZ1  LYS  17           HZ1      LYS  17 -28.054 -20.668  23.688
  165    HZ2  LYS  17           HZ2      LYS  17 -28.298 -22.054  24.638
  166    HZ3  LYS  17           HZ3      LYS  17 -28.230 -22.185  22.947
  Start of MODEL   18
    1    H1   GLU   1           HT1      GLU   1  -8.596  -9.664  -2.569
    2    H2   GLU   1           HT2      GLU   1 -10.225  -9.949  -2.956
    3    H3   GLU   1           HT3      GLU   1  -9.517 -10.735  -1.626
    4    HA   GLU   1           HA       GLU   1  -9.053  -8.187  -1.021
    5    HB2  GLU   1           HB2      GLU   1 -10.462  -7.482  -3.002
    6    HB3  GLU   1           HB1      GLU   1 -11.853  -8.365  -2.281
    7    HG2  GLU   1           HG2      GLU   1 -11.814  -6.842  -0.285
    8    HG3  GLU   1           HG1      GLU   1 -10.395  -5.961  -0.984
    9    H    MET   2           HN       MET   2 -11.696 -10.658  -1.099
   10    HA   MET   2           HA       MET   2 -11.710 -10.462   1.826
   11    HB2  MET   2           HB2      MET   2 -14.149 -10.806  -0.006
   12    HB3  MET   2           HB1      MET   2 -14.168 -11.056   1.772
   13    HG2  MET   2           HG2      MET   2 -13.377  -8.632   2.033
   14    HG3  MET   2           HG1      MET   2 -13.629  -8.428   0.271
   15    HE1  MET   2           HE1      MET   2 -16.391 -10.055  -0.420
   16    HE2  MET   2           HE2      MET   2 -15.503  -8.594  -0.976
   17    HE3  MET   2           HE3      MET   2 -17.225  -8.463  -0.474
   18    H    ARG   3           HN       ARG   3 -12.195 -12.510   2.882
   19    HA   ARG   3           HA       ARG   3 -12.078 -14.724   0.976
   20    HB2  ARG   3           HB2      ARG   3 -11.066 -15.074   3.818
   21    HB3  ARG   3           HB1      ARG   3 -10.575 -15.953   2.327
   22    HG2  ARG   3           HG2      ARG   3  -8.733 -14.649   2.263
   23    HG3  ARG   3           HG1      ARG   3  -9.805 -13.276   1.827
   24    HD2  ARG   3           HD2      ARG   3  -8.539 -12.496   3.733
   25    HD3  ARG   3           HD1      ARG   3 -10.150 -12.973   4.433
   26    HE   ARG   3           HE       ARG   3  -8.384 -15.255   4.480
   27   HH11  ARG   3          HH11      ARG   3  -8.878 -12.041   5.934
   28   HH12  ARG   3          HH12      ARG   3  -8.156 -12.448   7.455
   29   HH21  ARG   3          HH21      ARG   3  -7.400 -15.809   6.548
   30   HH22  ARG   3          HH22      ARG   3  -7.301 -14.627   7.809
   31    H    LEU   4           HN       LEU   4 -14.183 -13.058   2.501
   32    HA   LEU   4           HA       LEU   4 -15.750 -15.349   3.235
   33    HB2  LEU   4           HB2      LEU   4 -16.417 -14.469   5.463
   34    HB3  LEU   4           HB1      LEU   4 -14.652 -14.806   5.436
   35    HG   LEU   4           HG       LEU   4 -14.531 -12.230   4.656
   36   HD11  LEU   4          HD11      LEU   4 -17.297 -12.519   5.858
   37   HD12  LEU   4          HD12      LEU   4 -16.684 -11.379   4.601
   38   HD13  LEU   4          HD13      LEU   4 -16.324 -11.075   6.346
   39   HD21  LEU   4          HD21      LEU   4 -14.694 -13.437   7.455
   40   HD22  LEU   4          HD22      LEU   4 -14.453 -11.661   7.247
   41   HD23  LEU   4          HD23      LEU   4 -13.263 -12.822   6.544
   42    H    SER   5           HN       SER   5 -18.067 -14.340   3.982
   43    HA   SER   5           HA       SER   5 -18.466 -11.746   2.817
   44    HB2  SER   5           HB2      SER   5 -19.641 -14.280   1.544
   45    HB3  SER   5           HB1      SER   5 -20.422 -12.659   1.363
   46    HG   SER   5           HG       SER   5 -17.713 -12.692   0.894
   47    H    DPP   6           HN       DPP   6 -20.358 -14.773   3.625
   48    HA   DPP   6           HA       DPP   6 -22.141 -13.093   5.142
   49    HB2  DPP   6           HB2      DPP   6 -22.116 -16.010   4.231
   50    HB3  DPP   6           HB3      DPP   6 -23.461 -14.815   4.157
   51    H    PHE   7           HN       PHE   7 -21.093 -16.286   6.362
   52    HA   PHE   7           HA       PHE   7 -20.275 -16.871   8.318
   53    HB2  PHE   7           HB2      PHE   7 -17.987 -16.379   7.724
   54    HB3  PHE   7           HB1      PHE   7 -18.328 -14.602   7.578
   55    HD1  PHE   7           HD1      PHE   7 -19.334 -16.692  10.511
   56    HD2  PHE   7           HD2      PHE   7 -16.590 -13.819   8.963
   57    HE1  PHE   7           HE1      PHE   7 -18.677 -16.127  12.800
   58    HE2  PHE   7           HE2      PHE   7 -15.842 -13.346  11.262
   59    HZ   PHE   7           HZ       PHE   7 -16.868 -14.495  13.166
   60    H    PHE   8           HN       PHE   8 -19.334 -13.591   9.026
   61    HA   PHE   8           HA       PHE   8 -20.489 -13.833  11.525
   62    HB2  PHE   8           HB2      PHE   8 -19.234 -11.922  12.068
   63    HB3  PHE   8           HB1      PHE   8 -18.303 -12.682  10.774
   64    HD1  PHE   8           HD1      PHE   8 -19.506  -9.771  11.997
   65    HD2  PHE   8           HD2      PHE   8 -19.030 -11.943   8.411
   66    HE1  PHE   8           HE1      PHE   8 -19.625  -7.735  10.774
   67    HE2  PHE   8           HE2      PHE   8 -19.129  -9.913   7.154
   68    HZ   PHE   8           HZ       PHE   8 -19.419  -7.778   8.318
   69    H    ARG   9           HN       ARG   9 -21.537 -11.813   8.686
   70    HA   ARG   9           HA       ARG   9 -23.353 -10.590  10.438
   71    HB2  ARG   9           HB2      ARG   9 -24.756 -10.183   8.189
   72    HB3  ARG   9           HB1      ARG   9 -23.226  -9.292   8.490
   73    HG2  ARG   9           HG2      ARG   9 -22.823 -11.928   7.148
   74    HG3  ARG   9           HG1      ARG   9 -23.839 -10.781   6.208
   75    HD2  ARG   9           HD2      ARG   9 -21.583  -9.294   7.323
   76    HD3  ARG   9           HD1      ARG   9 -20.951 -10.787   6.491
   77    HE   ARG   9           HE       ARG   9 -22.826  -9.797   4.685
   78   HH11  ARG   9          HH11      ARG   9 -20.082  -8.383   6.463
   79   HH12  ARG   9          HH12      ARG   9 -19.690  -7.222   5.240
   80   HH21  ARG   9          HH21      ARG   9 -22.294  -8.220   3.026
   81   HH22  ARG   9          HH22      ARG   9 -20.969  -7.128   3.254
   82    H    GLN  10           HN       GLN  10 -23.224 -13.812   9.785
   83    HA   GLN  10           HA       GLN  10 -25.956 -13.919  10.628
   84    HB2  GLN  10           HB2      GLN  10 -26.582 -15.698   9.061
   85    HB3  GLN  10           HB1      GLN  10 -26.075 -14.243   8.144
   86    HG2  GLN  10           HG2      GLN  10 -23.873 -16.233   8.721
   87    HG3  GLN  10           HG1      GLN  10 -25.167 -16.805   7.604
   88   HE21  GLN  10          HE21      GLN  10 -23.169 -16.797   6.170
   89    H    PHE  11           HN       PHE  11 -23.107 -14.236  11.585
   90    HA   PHE  11           HA       PHE  11 -23.544 -16.879  12.731
   91    HB2  PHE  11           HB2      PHE  11 -21.516 -17.061  11.334
   92    HB3  PHE  11           HB1      PHE  11 -20.891 -15.545  12.059
   93    HD1  PHE  11           HD1      PHE  11 -21.074 -19.067  12.295
   94    HD2  PHE  11           HD2      PHE  11 -20.459 -15.489  14.508
   95    HE1  PHE  11           HE1      PHE  11 -19.975 -20.366  14.067
   96    HE2  PHE  11           HE2      PHE  11 -19.334 -16.793  16.278
   97    HZ   PHE  11           HZ       PHE  11 -19.094 -19.228  16.059
   98    H    ILE  12           HN       ILE  12 -22.058 -13.640  13.054
   99    HA   ILE  12           HA       ILE  12 -22.092 -13.983  15.900
  100    HB   ILE  12           HB       ILE  12 -21.840 -11.237  15.341
  101   HG12  ILE  12          HG12      ILE  12 -19.669 -11.504  13.865
  102   HG13  ILE  12          HG11      ILE  12 -20.666 -12.815  13.152
  103   HG21  ILE  12          HG21      ILE  12 -19.360 -11.689  16.014
  104   HG22  ILE  12          HG22      ILE  12 -19.799 -13.438  16.068
  105   HG23  ILE  12          HG23      ILE  12 -20.613 -12.265  17.177
  106   HD11  ILE  12          HD11      ILE  12 -22.606 -11.216  13.034
  107   HD12  ILE  12          HD12      ILE  12 -21.214 -10.731  12.001
  108   HD13  ILE  12          HD13      ILE  12 -21.498  -9.896  13.569
  109    H    LEU  13           HN       LEU  13 -23.928 -13.127  13.356
  110    HA   LEU  13           HA       LEU  13 -25.536 -11.321  14.847
  111    HB2  LEU  13           HB2      LEU  13 -24.526 -11.767  12.220
  112    HB3  LEU  13           HB1      LEU  13 -26.340 -11.586  12.150
  113    HG   LEU  13           HG       LEU  13 -26.216  -9.414  13.294
  114   HD11  LEU  13          HD11      LEU  13 -23.319  -8.933  13.374
  115   HD12  LEU  13          HD12      LEU  13 -23.703 -10.409  14.337
  116   HD13  LEU  13          HD13      LEU  13 -24.526  -8.846  14.710
  117   HD21  LEU  13          HD21      LEU  13 -23.913  -8.990  11.381
  118   HD22  LEU  13          HD22      LEU  13 -25.523  -8.175  11.477
  119   HD23  LEU  13          HD23      LEU  13 -25.383  -9.799  10.706
  120    H    GLN  14           HN       GLN  14 -25.183 -14.544  14.501
  121    HA   GLN  14           HA       GLN  14 -27.894 -14.959  15.282
  122    HB2  GLN  14           HB2      GLN  14 -26.693 -16.531  12.920
  123    HB3  GLN  14           HB1      GLN  14 -28.212 -16.970  13.778
  124    HG2  GLN  14           HG2      GLN  14 -29.218 -14.748  13.074
  125    HG3  GLN  14           HG1      GLN  14 -27.718 -14.410  12.122
  126   HE21  GLN  14          HE21      GLN  14 -30.831 -15.482  11.760
  127   HE22  GLN  14          HE22      GLN  14 -30.643 -16.561  10.419
  128    H    ARG  15           HN       ARG  15 -25.604 -14.695  16.630
  129    HA   ARG  15           HA       ARG  15 -24.364 -17.270  16.900
  130    HB2  ARG  15           HB2      ARG  15 -23.653 -14.543  17.366
  131    HB3  ARG  15           HB1      ARG  15 -23.682 -15.330  18.986
  132    HG2  ARG  15           HG2      ARG  15 -22.183 -17.178  18.054
  133    HG3  ARG  15           HG1      ARG  15 -22.055 -16.244  16.516
  134    HD2  ARG  15           HD2      ARG  15 -20.111 -15.575  17.724
  135    HD3  ARG  15           HD1      ARG  15 -21.290 -14.241  18.074
  136    HE   ARG  15           HE       ARG  15 -21.403 -14.967  20.325
  137   HH11  ARG  15          HH11      ARG  15 -19.767 -17.387  18.278
  138   HH12  ARG  15          HH12      ARG  15 -19.187 -18.338  19.604
  139   HH21  ARG  15          HH21      ARG  15 -20.609 -16.259  22.121
  140   HH22  ARG  15          HH22      ARG  15 -19.676 -17.687  21.824
  141    H    LYS  16           HN       LYS  16 -26.173 -18.559  17.604
  142    HA   LYS  16           HA       LYS  16 -27.353 -17.745  20.141
  143    HB2  LYS  16           HB2      LYS  16 -27.852 -20.282  18.473
  144    HB3  LYS  16           HB1      LYS  16 -28.848 -19.695  19.853
  145    HG2  LYS  16           HG2      LYS  16 -28.454 -18.214  17.189
  146    HG3  LYS  16           HG1      LYS  16 -29.880 -19.228  17.607
  147    HD2  LYS  16           HD2      LYS  16 -30.356 -17.698  19.561
  148    HD3  LYS  16           HD1      LYS  16 -28.965 -16.670  19.072
  149    HE2  LYS  16           HE2      LYS  16 -30.079 -16.201  16.867
  150    HE3  LYS  16           HE1      LYS  16 -31.485 -17.234  17.365
  151    HZ1  LYS  16           HZ1      LYS  16 -32.295 -15.568  18.504
  152    HZ2  LYS  16           HZ2      LYS  16 -31.086 -14.559  17.869
  153    HZ3  LYS  16           HZ3      LYS  16 -30.854 -15.324  19.366
  154    H    LYS  17           HN       LYS  17 -24.606 -19.264  18.960
  155    HA   LYS  17           HA       LYS  17 -23.049 -20.521  19.939
  156    HB2  LYS  17           HB2      LYS  17 -24.643 -20.266  22.559
  157    HB3  LYS  17           HB1      LYS  17 -22.912 -20.727  22.395
  158    HG2  LYS  17           HG2      LYS  17 -22.206 -18.552  21.989
  159    HG3  LYS  17           HG1      LYS  17 -23.750 -18.062  21.213
  160    HD2  LYS  17           HD2      LYS  17 -23.533 -16.899  23.346
  161    HD3  LYS  17           HD1      LYS  17 -24.869 -18.097  23.466
  162    HE2  LYS  17           HE2      LYS  17 -23.364 -19.678  24.697
  163    HE3  LYS  17           HE1      LYS  17 -21.988 -18.510  24.532
  164    HZ1  LYS  17           HZ1      LYS  17 -24.011 -18.596  26.460
  165    HZ2  LYS  17           HZ2      LYS  17 -24.194 -17.152  25.585
  166    HZ3  LYS  17           HZ3      LYS  17 -22.709 -17.516  26.322
  Start of MODEL   19
    1    H1   GLU   1           HT1      GLU   1 -12.781  -8.476  -3.240
    2    H2   GLU   1           HT2      GLU   1 -11.704  -7.881  -4.412
    3    H3   GLU   1           HT3      GLU   1 -11.929  -7.034  -2.957
    4    HA   GLU   1           HA       GLU   1 -10.665  -9.670  -3.323
    5    HB2  GLU   1           HB2      GLU   1  -9.243  -7.673  -3.881
    6    HB3  GLU   1           HB1      GLU   1  -9.616  -6.977  -2.268
    7    HG2  GLU   1           HG2      GLU   1  -7.363  -7.991  -2.218
    8    HG3  GLU   1           HG1      GLU   1  -8.465  -8.969  -1.172
    9    H    MET   2           HN       MET   2 -12.117 -10.791  -1.851
   10    HA   MET   2           HA       MET   2 -11.550 -10.039   0.918
   11    HB2  MET   2           HB2      MET   2 -14.279 -10.955  -0.153
   12    HB3  MET   2           HB1      MET   2 -13.858 -10.761   1.583
   13    HG2  MET   2           HG2      MET   2 -13.451  -8.317   1.214
   14    HG3  MET   2           HG1      MET   2 -13.872  -8.505  -0.517
   15    HE1  MET   2           HE1      MET   2 -14.582  -8.933   2.974
   16    HE2  MET   2           HE2      MET   2 -16.109  -9.882   2.981
   17    HE3  MET   2           HE3      MET   2 -16.153  -8.108   3.263
   18    H    ARG   3           HN       ARG   3 -11.795 -11.918   2.402
   19    HA   ARG   3           HA       ARG   3 -11.707 -14.414   0.893
   20    HB2  ARG   3           HB2      ARG   3 -10.086 -15.254   2.711
   21    HB3  ARG   3           HB1      ARG   3  -9.388 -14.083   1.541
   22    HG2  ARG   3           HG2      ARG   3  -9.633 -12.237   3.143
   23    HG3  ARG   3           HG1      ARG   3 -10.520 -13.296   4.293
   24    HD2  ARG   3           HD2      ARG   3  -8.190 -13.073   5.070
   25    HD3  ARG   3           HD1      ARG   3  -8.401 -14.765   4.436
   26    HE   ARG   3           HE       ARG   3  -7.500 -13.027   2.302
   27   HH11  ARG   3          HH11      ARG   3  -6.464 -14.587   5.332
   28   HH12  ARG   3          HH12      ARG   3  -4.797 -14.709   4.880
   29   HH21  ARG   3          HH21      ARG   3  -5.232 -13.193   1.687
   30   HH22  ARG   3          HH22      ARG   3  -4.084 -13.901   2.773
   31    H    LEU   4           HN       LEU   4 -13.860 -12.884   2.304
   32    HA   LEU   4           HA       LEU   4 -14.824 -15.073   3.842
   33    HB2  LEU   4           HB2      LEU   4 -15.193 -13.780   5.958
   34    HB3  LEU   4           HB1      LEU   4 -13.443 -14.040   5.635
   35    HG   LEU   4           HG       LEU   4 -13.873 -11.651   4.307
   36   HD11  LEU   4          HD11      LEU   4 -16.166 -11.325   5.034
   37   HD12  LEU   4          HD12      LEU   4 -15.133 -10.166   5.960
   38   HD13  LEU   4          HD13      LEU   4 -15.736 -11.669   6.755
   39   HD21  LEU   4          HD21      LEU   4 -13.050 -12.032   7.253
   40   HD22  LEU   4          HD22      LEU   4 -12.716 -10.573   6.245
   41   HD23  LEU   4          HD23      LEU   4 -11.975 -12.161   5.806
   42    H    SER   5           HN       SER   5 -17.114 -14.785   4.300
   43    HA   SER   5           HA       SER   5 -18.297 -12.282   3.699
   44    HB2  SER   5           HB2      SER   5 -19.722 -12.998   1.802
   45    HB3  SER   5           HB1      SER   5 -17.987 -13.172   1.332
   46    HG   SER   5           HG       SER   5 -18.975 -15.382   2.588
   47    H    DPP   6           HN       DPP   6 -20.665 -12.390   4.242
   48    HA   DPP   6           HA       DPP   6 -22.160 -12.968   5.760
   49    HB2  DPP   6           HB2      DPP   6 -21.573 -15.781   4.622
   50    HB3  DPP   6           HB3      DPP   6 -22.939 -14.694   4.179
   51    H    PHE   7           HN       PHE   7 -21.025 -16.151   6.582
   52    HA   PHE   7           HA       PHE   7 -20.322 -16.952   8.514
   53    HB2  PHE   7           HB2      PHE   7 -17.979 -16.642   8.015
   54    HB3  PHE   7           HB1      PHE   7 -18.150 -14.837   7.947
   55    HD1  PHE   7           HD1      PHE   7 -19.433 -16.968  10.747
   56    HD2  PHE   7           HD2      PHE   7 -16.401 -14.273   9.428
   57    HE1  PHE   7           HE1      PHE   7 -18.827 -16.558  13.084
   58    HE2  PHE   7           HE2      PHE   7 -15.703 -13.970  11.773
   59    HZ   PHE   7           HZ       PHE   7 -16.894 -15.109  13.586
   60    H    PHE   8           HN       PHE   8 -19.101 -13.846   9.494
   61    HA   PHE   8           HA       PHE   8 -20.434 -14.103  11.899
   62    HB2  PHE   8           HB2      PHE   8 -19.045 -12.341  12.617
   63    HB3  PHE   8           HB1      PHE   8 -18.108 -13.120  11.345
   64    HD1  PHE   8           HD1      PHE   8 -19.094 -10.158  12.644
   65    HD2  PHE   8           HD2      PHE   8 -18.615 -12.208   8.987
   66    HE1  PHE   8           HE1      PHE   8 -18.913  -8.063  11.517
   67    HE2  PHE   8           HE2      PHE   8 -18.424 -10.128   7.837
   68    HZ   PHE   8           HZ       PHE   8 -18.549  -8.020   9.077
   69    H    ARG   9           HN       ARG   9 -21.105 -12.092   9.014
   70    HA   ARG   9           HA       ARG   9 -22.887 -10.584  10.547
   71    HB2  ARG   9           HB2      ARG   9 -22.835 -11.184   7.546
   72    HB3  ARG   9           HB1      ARG   9 -24.083 -10.119   8.282
   73    HG2  ARG   9           HG2      ARG   9 -22.670  -8.388   8.044
   74    HG3  ARG   9           HG1      ARG   9 -21.569  -9.163   9.245
   75    HD2  ARG   9           HD2      ARG   9 -20.361 -10.359   7.494
   76    HD3  ARG   9           HD1      ARG   9 -21.571  -9.849   6.239
   77    HE   ARG   9           HE       ARG   9 -20.484  -7.492   7.514
   78   HH11  ARG   9          HH11      ARG   9 -19.634 -10.161   5.317
   79   HH12  ARG   9          HH12      ARG   9 -18.455  -9.258   4.425
   80   HH21  ARG   9          HH21      ARG   9 -18.883  -6.261   6.303
   81   HH22  ARG   9          HH22      ARG   9 -18.021  -7.002   4.997
   82    H    GLN  10           HN       GLN  10 -23.027 -13.892   9.807
   83    HA   GLN  10           HA       GLN  10 -25.766 -13.732  10.667
   84    HB2  GLN  10           HB2      GLN  10 -26.546 -15.415   9.062
   85    HB3  GLN  10           HB1      GLN  10 -25.915 -13.979   8.194
   86    HG2  GLN  10           HG2      GLN  10 -23.952 -16.246   8.696
   87    HG3  GLN  10           HG1      GLN  10 -25.253 -16.539   7.482
   88   HE21  GLN  10          HE21      GLN  10 -23.150 -16.657   6.150
   89    H    PHE  11           HN       PHE  11 -23.069 -14.294  11.753
   90    HA   PHE  11           HA       PHE  11 -23.740 -16.929  12.789
   91    HB2  PHE  11           HB2      PHE  11 -21.669 -17.242  11.491
   92    HB3  PHE  11           HB1      PHE  11 -20.968 -15.792  12.269
   93    HD1  PHE  11           HD1      PHE  11 -21.398 -19.283  12.420
   94    HD2  PHE  11           HD2      PHE  11 -20.666 -15.801  14.746
   95    HE1  PHE  11           HE1      PHE  11 -20.484 -20.689  14.216
   96    HE2  PHE  11           HE2      PHE  11 -19.725 -17.215  16.542
   97    HZ   PHE  11           HZ       PHE  11 -19.636 -19.654  16.277
   98    H    ILE  12           HN       ILE  12 -22.080 -13.790  13.291
   99    HA   ILE  12           HA       ILE  12 -22.312 -14.214  16.119
  100    HB   ILE  12           HB       ILE  12 -21.874 -11.467  15.642
  101   HG12  ILE  12          HG12      ILE  12 -19.592 -11.880  14.358
  102   HG13  ILE  12          HG11      ILE  12 -20.634 -13.082  13.529
  103   HG21  ILE  12          HG21      ILE  12 -19.518 -12.039  16.549
  104   HG22  ILE  12          HG22      ILE  12 -19.990 -13.779  16.466
  105   HG23  ILE  12          HG23      ILE  12 -20.887 -12.647  17.556
  106   HD11  ILE  12          HD11      ILE  12 -20.913 -10.949  12.383
  107   HD12  ILE  12          HD12      ILE  12 -21.228 -10.105  13.940
  108   HD13  ILE  12          HD13      ILE  12 -22.414 -11.310  13.301
  109    H    LEU  13           HN       LEU  13 -23.833 -13.056  13.468
  110    HA   LEU  13           HA       LEU  13 -25.457 -11.237  14.902
  111    HB2  LEU  13           HB2      LEU  13 -24.311 -11.724  12.329
  112    HB3  LEU  13           HB1      LEU  13 -26.088 -11.360  12.160
  113    HG   LEU  13           HG       LEU  13 -25.833  -9.214  13.273
  114   HD11  LEU  13          HD11      LEU  13 -22.990  -8.940  13.773
  115   HD12  LEU  13          HD12      LEU  13 -23.514 -10.473  14.562
  116   HD13  LEU  13          HD13      LEU  13 -24.340  -8.922  14.967
  117   HD21  LEU  13          HD21      LEU  13 -23.255  -9.100  11.673
  118   HD22  LEU  13          HD22      LEU  13 -24.716  -8.039  11.613
  119   HD23  LEU  13          HD23      LEU  13 -24.745  -9.655  10.812
  120    H    GLN  14           HN       GLN  14 -25.290 -14.468  14.512
  121    HA   GLN  14           HA       GLN  14 -28.065 -14.758  15.075
  122    HB2  GLN  14           HB2      GLN  14 -26.811 -16.324  12.736
  123    HB3  GLN  14           HB1      GLN  14 -28.436 -16.633  13.442
  124    HG2  GLN  14           HG2      GLN  14 -29.162 -14.313  12.729
  125    HG3  GLN  14           HG1      GLN  14 -27.552 -14.084  11.938
  126   HE21  GLN  14          HE21      GLN  14 -29.437 -13.839  10.139
  127   HE22  GLN  14          HE22      GLN  14 -29.704 -15.267   9.198
  128    H    ARG  15           HN       ARG  15 -25.904 -14.702  16.607
  129    HA   ARG  15           HA       ARG  15 -24.769 -17.340  16.748
  130    HB2  ARG  15           HB2      ARG  15 -23.908 -14.727  17.369
  131    HB3  ARG  15           HB1      ARG  15 -24.157 -15.499  18.974
  132    HG2  ARG  15           HG2      ARG  15 -22.728 -17.456  18.219
  133    HG3  ARG  15           HG1      ARG  15 -22.396 -16.582  16.670
  134    HD2  ARG  15           HD2      ARG  15 -20.524 -15.927  17.920
  135    HD3  ARG  15           HD1      ARG  15 -21.677 -14.599  18.383
  136    HE   ARG  15           HE       ARG  15 -22.072 -16.746  20.225
  137   HH11  ARG  15          HH11      ARG  15 -19.557 -14.445  19.196
  138   HH12  ARG  15          HH12      ARG  15 -18.781 -14.363  20.742
  139   HH21  ARG  15          HH21      ARG  15 -21.020 -16.634  22.330
  140   HH22  ARG  15          HH22      ARG  15 -19.628 -15.629  22.554
  141    H    LYS  16           HN       LYS  16 -26.647 -18.618  17.306
  142    HA   LYS  16           HA       LYS  16 -27.632 -17.986  19.984
  143    HB2  LYS  16           HB2      LYS  16 -29.349 -18.347  18.080
  144    HB3  LYS  16           HB1      LYS  16 -28.768 -20.049  18.025
  145    HG2  LYS  16           HG2      LYS  16 -29.404 -20.369  20.405
  146    HG3  LYS  16           HG1      LYS  16 -29.934 -18.657  20.509
  147    HD2  LYS  16           HD2      LYS  16 -31.692 -19.076  18.790
  148    HD3  LYS  16           HD1      LYS  16 -31.138 -20.777  18.621
  149    HE2  LYS  16           HE2      LYS  16 -33.152 -20.679  20.073
  150    HE3  LYS  16           HE1      LYS  16 -31.718 -21.170  21.067
  151    HZ1  LYS  16           HZ1      LYS  16 -31.925 -19.373  22.286
  152    HZ2  LYS  16           HZ2      LYS  16 -33.437 -19.116  21.559
  153    HZ3  LYS  16           HZ3      LYS  16 -32.058 -18.334  20.950
  154    H    LYS  17           HN       LYS  17 -25.172 -18.718  20.253
  155    HA   LYS  17           HA       LYS  17 -25.284 -21.633  20.628
  156    HB2  LYS  17           HB2      LYS  17 -22.656 -20.118  20.720
  157    HB3  LYS  17           HB1      LYS  17 -22.969 -21.817  20.224
  158    HG2  LYS  17           HG2      LYS  17 -23.604 -19.280  18.596
  159    HG3  LYS  17           HG1      LYS  17 -22.283 -20.455  18.283
  160    HD2  LYS  17           HD2      LYS  17 -24.061 -22.255  17.944
  161    HD3  LYS  17           HD1      LYS  17 -25.315 -20.973  18.103
  162    HE2  LYS  17           HE2      LYS  17 -24.336 -19.767  16.123
  163    HE3  LYS  17           HE1      LYS  17 -23.095 -21.080  15.949
  164    HZ1  LYS  17           HZ1      LYS  17 -25.593 -21.009  14.856
  165    HZ2  LYS  17           HZ2      LYS  17 -25.753 -22.109  16.141
  166    HZ3  LYS  17           HZ3      LYS  17 -24.560 -22.353  14.957
  Start of MODEL   20
    1    H1   GLU   1           HT1      GLU   1  -8.963 -10.419  -4.013
    2    H2   GLU   1           HT2      GLU   1 -10.404 -11.316  -4.095
    3    H3   GLU   1           HT3      GLU   1  -9.595 -11.140  -2.610
    4    HA   GLU   1           HA       GLU   1  -9.945  -8.598  -3.296
    5    HB2  GLU   1           HB2      GLU   1 -12.338 -10.244  -4.290
    6    HB3  GLU   1           HB1      GLU   1 -12.460  -8.489  -3.906
    7    HG2  GLU   1           HG2      GLU   1 -10.798  -7.927  -5.655
    8    HG3  GLU   1           HG1      GLU   1 -10.504  -9.680  -5.987
    9    H    MET   2           HN       MET   2 -11.673 -11.491  -1.999
   10    HA   MET   2           HA       MET   2 -12.025  -9.945   0.463
   11    HB2  MET   2           HB2      MET   2 -14.060 -11.866  -0.795
   12    HB3  MET   2           HB1      MET   2 -14.158 -11.236   0.884
   13    HG2  MET   2           HG2      MET   2 -14.192  -8.870  -0.096
   14    HG3  MET   2           HG1      MET   2 -14.332  -9.612  -1.721
   15    HE1  MET   2           HE1      MET   2 -16.376 -12.147  -1.376
   16    HE2  MET   2           HE2      MET   2 -15.935 -10.917  -2.611
   17    HE3  MET   2           HE3      MET   2 -17.651 -11.118  -2.118
   18    H    ARG   3           HN       ARG   3 -12.016 -11.293   2.399
   19    HA   ARG   3           HA       ARG   3 -10.978 -13.959   1.802
   20    HB2  ARG   3           HB2      ARG   3  -9.625 -13.835   3.892
   21    HB3  ARG   3           HB1      ARG   3  -9.153 -12.523   2.757
   22    HG2  ARG   3           HG2      ARG   3 -10.587 -10.905   4.008
   23    HG3  ARG   3           HG1      ARG   3 -11.092 -12.211   5.134
   24    HD2  ARG   3           HD2      ARG   3  -8.719 -12.485   5.904
   25    HD3  ARG   3           HD1      ARG   3  -8.198 -11.165   4.768
   26    HE   ARG   3           HE       ARG   3  -9.700 -10.836   7.306
   27   HH11  ARG   3          HH11      ARG   3  -8.724  -9.460   4.163
   28   HH12  ARG   3          HH12      ARG   3  -8.963  -7.813   4.639
   29   HH21  ARG   3          HH21      ARG   3 -10.018  -8.597   7.948
   30   HH22  ARG   3          HH22      ARG   3  -9.710  -7.315   6.827
   31    H    LEU   4           HN       LEU   4 -13.698 -12.477   2.581
   32    HA   LEU   4           HA       LEU   4 -14.627 -14.638   4.145
   33    HB2  LEU   4           HB2      LEU   4 -15.473 -13.153   6.065
   34    HB3  LEU   4           HB1      LEU   4 -13.708 -13.485   6.089
   35    HG   LEU   4           HG       LEU   4 -13.500 -11.247   4.712
   36   HD11  LEU   4          HD11      LEU   4 -15.524  -9.731   5.905
   37   HD12  LEU   4          HD12      LEU   4 -16.394 -11.244   5.433
   38   HD13  LEU   4          HD13      LEU   4 -15.498 -10.295   4.189
   39   HD21  LEU   4          HD21      LEU   4 -13.686  -9.933   7.016
   40   HD22  LEU   4          HD22      LEU   4 -12.453 -11.238   6.808
   41   HD23  LEU   4          HD23      LEU   4 -13.984 -11.574   7.706
   42    H    SER   5           HN       SER   5 -17.063 -14.017   4.809
   43    HA   SER   5           HA       SER   5 -18.198 -11.907   3.338
   44    HB2  SER   5           HB2      SER   5 -17.728 -13.570   1.422
   45    HB3  SER   5           HB1      SER   5 -18.829 -14.729   2.262
   46    HG   SER   5           HG       SER   5 -19.382 -12.229   1.071
   47    H    DPP   6           HN       DPP   6 -20.546 -14.297   3.135
   48    HA   DPP   6           HA       DPP   6 -21.619 -13.397   5.589
   49    HB2  DPP   6           HB2      DPP   6 -22.556 -15.583   3.643
   50    HB3  DPP   6           HB3      DPP   6 -23.325 -13.985   3.963
   51    H    PHE   7           HN       PHE   7 -20.518 -13.856   7.337
   52    HA   PHE   7           HA       PHE   7 -20.426 -16.662   8.114
   53    HB2  PHE   7           HB2      PHE   7 -18.027 -16.599   7.944
   54    HB3  PHE   7           HB1      PHE   7 -18.009 -14.784   7.913
   55    HD1  PHE   7           HD1      PHE   7 -19.543 -16.997  10.539
   56    HD2  PHE   7           HD2      PHE   7 -16.415 -14.278   9.539
   57    HE1  PHE   7           HE1      PHE   7 -19.050 -16.721  12.912
   58    HE2  PHE   7           HE2      PHE   7 -15.853 -14.097  11.925
   59    HZ   PHE   7           HZ       PHE   7 -17.150 -15.318  13.605
   60    H    PHE   8           HN       PHE   8 -19.111 -13.678   9.425
   61    HA   PHE   8           HA       PHE   8 -20.399 -14.101  11.846
   62    HB2  PHE   8           HB2      PHE   8 -19.109 -12.249  12.598
   63    HB3  PHE   8           HB1      PHE   8 -18.110 -13.015  11.344
   64    HD1  PHE   8           HD1      PHE   8 -19.373 -10.094  12.566
   65    HD2  PHE   8           HD2      PHE   8 -18.525 -12.149   8.977
   66    HE1  PHE   8           HE1      PHE   8 -19.363  -8.024  11.414
   67    HE2  PHE   8           HE2      PHE   8 -18.478 -10.073   7.785
   68    HZ   PHE   8           HZ       PHE   8 -18.884  -7.974   8.993
   69    H    ARG   9           HN       ARG   9 -21.129 -11.759   9.141
   70    HA   ARG   9           HA       ARG   9 -23.021 -10.622  10.853
   71    HB2  ARG   9           HB2      ARG   9 -23.926 -10.369   8.057
   72    HB3  ARG   9           HB1      ARG   9 -23.411  -9.088   9.208
   73    HG2  ARG   9           HG2      ARG   9 -21.913  -8.922   7.380
   74    HG3  ARG   9           HG1      ARG   9 -20.997  -9.754   8.676
   75    HD2  ARG   9           HD2      ARG   9 -20.477 -11.143   6.841
   76    HD3  ARG   9           HD1      ARG   9 -21.972 -11.965   7.465
   77    HE   ARG   9           HE       ARG   9 -23.167 -11.186   5.572
   78   HH11  ARG   9          HH11      ARG   9 -19.974  -9.616   5.826
   79   HH12  ARG   9          HH12      ARG   9 -20.033  -8.898   4.252
   80   HH21  ARG   9          HH21      ARG   9 -23.239 -10.214   3.431
   81   HH22  ARG   9          HH22      ARG   9 -21.919  -9.245   2.867
   82    H    GLN  10           HN       GLN  10 -23.037 -13.768   9.849
   83    HA   GLN  10           HA       GLN  10 -25.817 -13.743  10.511
   84    HB2  GLN  10           HB2      GLN  10 -26.564 -15.209   8.731
   85    HB3  GLN  10           HB1      GLN  10 -25.812 -13.767   7.985
   86    HG2  GLN  10           HG2      GLN  10 -23.924 -16.080   8.398
   87    HG3  GLN  10           HG1      GLN  10 -25.271 -16.397   7.241
   88   HE21  GLN  10          HE21      GLN  10 -23.810 -16.449   5.445
   89    H    PHE  11           HN       PHE  11 -23.255 -14.284  11.721
   90    HA   PHE  11           HA       PHE  11 -23.876 -17.003  12.547
   91    HB2  PHE  11           HB2      PHE  11 -21.743 -17.118  11.259
   92    HB3  PHE  11           HB1      PHE  11 -21.107 -15.767  12.254
   93    HD1  PHE  11           HD1      PHE  11 -21.491 -19.252  11.924
   94    HD2  PHE  11           HD2      PHE  11 -20.936 -16.093  14.714
   95    HE1  PHE  11           HE1      PHE  11 -20.650 -20.874  13.574
   96    HE2  PHE  11           HE2      PHE  11 -20.070 -17.719  16.367
   97    HZ   PHE  11           HZ       PHE  11 -19.929 -20.105  15.796
   98    H    ILE  12           HN       ILE  12 -22.163 -13.935  13.246
   99    HA   ILE  12           HA       ILE  12 -22.490 -14.448  16.046
  100    HB   ILE  12           HB       ILE  12 -21.896 -11.728  15.748
  101   HG12  ILE  12          HG12      ILE  12 -19.693 -12.048  14.364
  102   HG13  ILE  12          HG11      ILE  12 -20.731 -13.222  13.491
  103   HG21  ILE  12          HG21      ILE  12 -20.949 -13.240  17.502
  104   HG22  ILE  12          HG22      ILE  12 -19.619 -12.387  16.633
  105   HG23  ILE  12          HG23      ILE  12 -19.986 -14.113  16.248
  106   HD11  ILE  12          HD11      ILE  12 -22.539 -11.494  13.372
  107   HD12  ILE  12          HD12      ILE  12 -21.045 -11.006  12.496
  108   HD13  ILE  12          HD13      ILE  12 -21.405 -10.301  14.111
  109    H    LEU  13           HN       LEU  13 -24.127 -13.383  13.480
  110    HA   LEU  13           HA       LEU  13 -25.580 -11.416  14.945
  111    HB2  LEU  13           HB2      LEU  13 -24.421 -11.824  12.382
  112    HB3  LEU  13           HB1      LEU  13 -26.202 -11.479  12.173
  113    HG   LEU  13           HG       LEU  13 -25.991  -9.387  13.453
  114   HD11  LEU  13          HD11      LEU  13 -24.372  -9.046  15.018
  115   HD12  LEU  13          HD12      LEU  13 -23.077  -9.177  13.770
  116   HD13  LEU  13          HD13      LEU  13 -23.662 -10.658  14.618
  117   HD21  LEU  13          HD21      LEU  13 -23.525  -9.017  11.765
  118   HD22  LEU  13          HD22      LEU  13 -25.106  -8.144  11.735
  119   HD23  LEU  13          HD23      LEU  13 -24.942  -9.739  10.911
  120    H    GLN  14           HN       GLN  14 -25.614 -14.451  15.006
  121    HA   GLN  14           HA       GLN  14 -28.272 -14.724  15.595
  122    HB2  GLN  14           HB2      GLN  14 -28.643 -16.709  13.873
  123    HB3  GLN  14           HB1      GLN  14 -29.074 -15.038  13.368
  124    HG2  GLN  14           HG2      GLN  14 -26.907 -14.802  12.170
  125    HG3  GLN  14           HG1      GLN  14 -26.409 -16.456  12.719
  126   HE21  GLN  14          HE21      GLN  14 -27.584 -18.326  11.926
  127   HE22  GLN  14          HE22      GLN  14 -28.533 -18.242  10.481
  128    H    ARG  15           HN       ARG  15 -26.052 -14.857  16.903
  129    HA   ARG  15           HA       ARG  15 -24.988 -17.513  16.707
  130    HB2  ARG  15           HB2      ARG  15 -23.981 -14.975  17.436
  131    HB3  ARG  15           HB1      ARG  15 -24.107 -15.865  18.996
  132    HG2  ARG  15           HG2      ARG  15 -22.822 -17.801  17.916
  133    HG3  ARG  15           HG1      ARG  15 -22.564 -16.751  16.469
  134    HD2  ARG  15           HD2      ARG  15 -20.670 -16.035  17.540
  135    HD3  ARG  15           HD1      ARG  15 -21.788 -15.078  18.608
  136    HE   ARG  15           HE       ARG  15 -21.631 -17.746  19.651
  137   HH11  ARG  15          HH11      ARG  15 -19.609 -14.870  19.087
  138   HH12  ARG  15          HH12      ARG  15 -18.558 -15.152  20.434
  139   HH21  ARG  15          HH21      ARG  15 -20.202 -18.133  21.487
  140   HH22  ARG  15          HH22      ARG  15 -18.902 -17.039  21.821
  141    H    LYS  16           HN       LYS  16 -26.694 -18.850  17.372
  142    HA   LYS  16           HA       LYS  16 -28.211 -18.334  19.651
  143    HB2  LYS  16           HB2      LYS  16 -28.868 -20.030  17.898
  144    HB3  LYS  16           HB1      LYS  16 -27.477 -21.047  18.407
  145    HG2  LYS  16           HG2      LYS  16 -29.504 -21.940  19.415
  146    HG3  LYS  16           HG1      LYS  16 -28.485 -21.230  20.713
  147    HD2  LYS  16           HD2      LYS  16 -29.893 -19.187  20.747
  148    HD3  LYS  16           HD1      LYS  16 -30.869 -19.807  19.370
  149    HE2  LYS  16           HE2      LYS  16 -31.649 -21.733  20.784
  150    HE3  LYS  16           HE1      LYS  16 -30.659 -21.111  22.170
  151    HZ1  LYS  16           HZ1      LYS  16 -32.585 -20.121  22.635
  152    HZ2  LYS  16           HZ2      LYS  16 -33.149 -20.118  21.033
  153    HZ3  LYS  16           HZ3      LYS  16 -32.032 -18.944  21.542
  154    H    LYS  17           HN       LYS  17 -25.069 -19.951  19.107
  155    HA   LYS  17           HA       LYS  17 -23.481 -20.545  20.545
  156    HB2  LYS  17           HB2      LYS  17 -25.066 -19.188  22.805
  157    HB3  LYS  17           HB1      LYS  17 -23.316 -19.597  22.803
  158    HG2  LYS  17           HG2      LYS  17 -22.730 -17.743  21.586
  159    HG3  LYS  17           HG1      LYS  17 -24.191 -17.815  20.547
  160    HD2  LYS  17           HD2      LYS  17 -24.285 -15.784  21.889
  161    HD3  LYS  17           HD1      LYS  17 -25.564 -16.912  22.458
  162    HE2  LYS  17           HE2      LYS  17 -24.131 -17.584  24.401
  163    HE3  LYS  17           HE1      LYS  17 -22.807 -16.495  23.811
  164    HZ1  LYS  17           HZ1      LYS  17 -23.802 -14.795  24.736
  165    HZ2  LYS  17           HZ2      LYS  17 -24.912 -15.857  25.458
  166    HZ3  LYS  17           HZ3      LYS  17 -25.286 -15.117  23.976