*HEADER    BIOSYNTHETIC PROTEIN                    21-MAR-19   6OC2              
*TITLE     CSP1-CYC(ORN6D10)                                                     
*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                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE;                       
*SOURCE   4 ORGANISM_TAXID: 1313                                                 
*KEYWDS    MODULATOR FOR PNEUMOCOCCAL QUORUM SENSING, SYNTHETIC CYCLIC PEPTIDE,  
*KEYWDS   2 BIOSYNTHETIC PROTEIN                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.YANG                                                                
*REVDAT   1   08-JAN-20 6OC2    0                                                
# Restraints file 1: CSP1CYCOrn6D10_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    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0  -63.7   20.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  -39.6   20.0 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0  -68.7   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  -32.1   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 2: CSP1CYCOrn6D10_chi1.tbl
!L4
assign ( resid 4 and name n)  ( resid 4 and name ca)
       ( resid 4 and name cb) ( resid 4 and name cg)
 1.0 -60.0 20.0 2

# Restraints file 3: D_1000240388_mr_P1.xplor-nih.V2
assign (resid   2 and name HA  ) (resid   2 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   2 and name HA  ) (resid   2 and (name HG1 or name HG2  )) 2.9  1.0  1.0
assign (resid   2 and name HA  ) (resid   2 and (name HG2 or name HG1  )) 2.6  0.9  0.9
assign (resid   2 and (name HB1 or name HB2  )) (resid   2 and (name HG1 or name HG2  )) 2.6  0.9  0.9
assign (resid   2 and (name HB1 or name HB2  )) (resid   2 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid   2 and name HA  ) (resid   3 and name HA  )  3.1  1.1  1.1
assign (resid   2 and name HA  ) (resid   3 and (name HB1 or name HB2  )) 2.8  1.0  1.0
assign (resid   2 and name HA  ) (resid   3 and (name HB2 or name HB1  )) 2.9  1.0  1.0
assign (resid   2 and name HA  ) (resid   3 and name HN  )  2.8  1.0  1.0
assign (resid   2 and (name HB1 or name HB2  )) (resid   3 and name HA  )  2.6  0.9  0.9
assign (resid   2 and (name HB1 or name HB2  )) (resid   3 and name HN  )  2.9  1.0  1.0
assign (resid   2 and (name HB1 or name HB2  )) (resid   4 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid   2 and (name HB1 or name HB2  )) (resid   4 and (name HD2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   2 and (name HB1 or name HB2  )) (resid   4 and name HN  )  2.5  0.9  0.9
assign (resid   2 and (name HG2 or name HG1  )) (resid   4 and (name HD2# or name HD1#  )) 2.8  1.0  1.0
assign (resid   2 and (name HB1 or name HB2  )) (resid   5 and (name HB1 or name HB2  )) 3.2  1.1  1.1
assign (resid   2 and (name HB1 or name HB2  )) (resid   5 and (name HB2 or name HB1  )) 3.2  1.1  1.1
assign (resid   2 and (name HB1 or name HB2  )) (resid   5 and name HN  )  2.7  0.9  0.9
assign (resid   3 and name HA  ) (resid   3 and (name HB1 or name HB2  )) 2.2  0.8  0.8
assign (resid   3 and name HA  ) (resid   3 and name HD#  )  2.8  1.0  1.0
assign (resid   3 and name HA  ) (resid   3 and name HG#  )  2.2  0.8  0.8
assign (resid   3 and name HA  ) (resid   3 and name HN  )  2.9  1.0  1.0
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and name HD#  )  2.5  0.9  0.9
assign (resid   3 and (name HB1 or name HB2  )) (resid   3 and name HN  )  2.7  0.9  0.9
assign (resid   3 and (name HB2 or name HB1  )) (resid   3 and name HD#  )  2.5  0.9  0.9
assign (resid   3 and (name HB2 or name HB1  )) (resid   3 and name HN  )  3.0  1.0  1.0
assign (resid   3 and name HD#  ) (resid   3 and name HG#  )  2.4  0.8  0.8
assign (resid   3 and name HG#  ) (resid   3 and name HN  )  3.0  1.0  1.0
assign (resid   3 and name HA  ) (resid   4 and name HA  )  3.1  1.1  1.1
assign (resid   3 and name HA  ) (resid   4 and (name HD1# or name HD2#  )) 3.1  1.1  1.1
assign (resid   3 and name HA  ) (resid   4 and (name HD2# or name HD1#  )) 2.9  1.0  1.0
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 HN  )  2.6  0.9  0.9
assign (resid   3 and name HG#  ) (resid   4 and name HN  )  2.3  0.8  0.8
assign (resid   3 and name HN  ) (resid   4 and name HN  )  3.1  1.1  1.1
assign (resid   3 and name HA  ) (resid   5 and name HN  )  2.8  1.0  1.0
assign (resid   3 and (name HB1 or name HB2  )) (resid   5 and name HN  )  2.8  1.0  1.0
assign (resid   4 and name HA  ) (resid   4 and (name HB1 or name HB2  )) 2.2  0.8  0.8
assign (resid   4 and name HA  ) (resid   4 and (name HB2 or name HB1  )) 2.2  0.8  0.8
assign (resid   4 and name HA  ) (resid   4 and name HN  )  2.6  0.9  0.9
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 HD2# or name HD1#  )) 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 HB2 or name HB1  )) (resid   4 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid   4 and (name HB2 or name HB1  )) (resid   4 and (name HD2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   4 and (name HB2 or name HB1  )) (resid   4 and name HN  )  2.6  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   4 and name HN  )  2.7  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   4 and name HN  )  2.7  0.9  0.9
assign (resid   4 and name HA  ) (resid   5 and name HN  )  2.6  0.9  0.9
assign (resid   4 and (name HB1 or name HB2  )) (resid   5 and name HA  )  2.9  1.0  1.0
assign (resid   4 and (name HB1 or name HB2  )) (resid   5 and name HN  )  2.6  0.9  0.9
assign (resid   4 and (name HB2 or name HB1  )) (resid   5 and name HA  )  4.0  1.4  1.4
assign (resid   4 and (name HB2 or name HB1  )) (resid   5 and name HN  )  2.8  1.0  1.0
assign (resid   4 and (name HD1# or name HD2#  )) (resid   5 and name HN  )  3.0  1.0  1.0
assign (resid   4 and (name HD2# or name HD1#  )) (resid   5 and name HN  )  2.9  1.0  1.0
assign (resid   4 and name HN  ) (resid   5 and name HA  )  3.3  1.2  1.2
assign (resid   4 and name HN  ) (resid   5 and name HN  )  2.6  0.9  0.9
assign (resid   4 and name HA  ) (resid   7 and (name HB1 or name HB2  )) 3.0  1.0  1.0
assign (resid   4 and name HA  ) (resid   7 and (name HB2 or name HB1  )) 2.9  1.0  1.0
assign (resid   4 and name HA  ) (resid   7 and name HD#  )  2.9  1.0  1.0
assign (resid   4 and name HA  ) (resid   7 and name HN  )  2.6  0.9  0.9
assign (resid   4 and (name HB1 or name HB2  )) (resid   7 and name HD#  )  3.0  1.0  1.0
assign (resid   4 and (name HB2 or name HB1  )) (resid   7 and name HD#  )  2.5  0.9  0.9
assign (resid   4 and (name HB2 or name HB1  )) (resid   7 and name HE#  )  3.6  1.3  1.3
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and name HD#  )  3.0  1.1  1.1
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and name HE#  )  2.9  1.0  1.0
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and (name HB1 or name HB2  )) 3.0  1.0  1.0
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and (name HB2 or name HB1  )) 3.1  1.1  1.1
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and name HD#  )  2.8  1.0  1.0
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and name HE#  )  2.7  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and name HZ  )  3.0  1.0  1.0
assign (resid   4 and name HA  ) (resid   8 and name HZ  )  3.2  1.1  1.1
assign (resid   4 and (name HB1 or name HB2  )) (resid   8 and name HE#  )  2.9  1.0  1.0
assign (resid   4 and (name HB1 or name HB2  )) (resid   8 and name HN  )  3.1  1.1  1.1
assign (resid   4 and (name HB1 or name HB2  )) (resid   8 and name HZ  )  3.1  1.1  1.1
assign (resid   4 and (name HB2 or name HB1  )) (resid   8 and name HE#  )  2.6  0.9  0.9
assign (resid   4 and (name HB2 or name HB1  )) (resid   8 and name HZ  )  3.0  1.1  1.1
assign (resid   4 and (name HD1# or name HD2#  )) (resid   8 and name HE#  )  2.8  1.0  1.0
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 HE#  )  2.8  1.0  1.0
assign (resid   4 and (name HD2# or name HD1#  )) (resid   8 and name HZ  )  3.1  1.1  1.1
assign (resid   4 and (name HD1# or name HD2#  )) (resid   9 and name HD#  )  3.1  1.1  1.1
assign (resid   5 and name HA  ) (resid   5 and name HN  )  2.7  0.9  0.9
assign (resid   5 and (name HB1 or name HB2  )) (resid   5 and name HN  )  2.6  0.9  0.9
assign (resid   5 and (name HB2 or name HB1  )) (resid   5 and name HN  )  2.6  0.9  0.9
assign (resid   5 and name HA  ) (resid   7 and name HD#  )  3.3  1.2  1.2
assign (resid   5 and name HN  ) (resid   7 and name HD#  )  3.4  1.2  1.2
assign (resid   5 and name HN  ) (resid   7 and name HE#  )  3.1  1.1  1.1
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  )) 2.5  0.9  0.9
assign (resid   7 and name HA  ) (resid   7 and name HD#  )  2.6  0.9  0.9
assign (resid   7 and name HA  ) (resid   7 and name HN  )  2.6  0.9  0.9
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and name HD#  )  2.8  1.0  1.0
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and name HE#  )  2.3  0.8  1.2
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and name HN  )  2.6  0.9  0.9
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and name HZ  )  3.3  1.2  1.4
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and name HD#  )  2.6  0.9  0.9
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and name HE#  )  2.7  0.9  0.9
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and name HN  )  2.5  0.9  0.9
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and name HZ  )  3.0  1.0  1.6
assign (resid   7 and name HD#  ) (resid   7 and name HN  )  2.7  0.9  0.9
assign (resid   7 and name HE#  ) (resid   7 and name HN  )  2.9  1.0  1.0
assign (resid   7 and name HA  ) (resid   8 and name HN  )  2.8  1.0  1.0
assign (resid   7 and name HA  ) (resid   8 and name HZ  )  3.3  1.2  1.2
assign (resid   7 and (name HB1 or name HB2  )) (resid   8 and name HN  )  2.8  1.0  1.0
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 HN  )  2.9  1.0  1.0
assign (resid   7 and name HN  ) (resid   8 and name HA  )  3.0  1.1  2.2
assign (resid   7 and name HN  ) (resid   8 and name HN  )  2.6  0.9  1.1
assign (resid   7 and name HN  ) (resid   8 and name HZ  )  3.2  1.1  2.1
assign (resid   7 and name HE#  ) (resid   9 and (name HB2 or name HB1  )) 2.7  0.9  0.9
assign (resid   7 and (name HB1 or name HB2  )) (resid  13 and (name HD1# or name HD2#  )) 2.9  1.0  1.0
assign (resid   7 and name HD#  ) (resid  13 and name HA  )  3.3  1.2  1.2
assign (resid   7 and name HD#  ) (resid  13 and (name HD1# or name HD2#  )) 3.4  1.2  1.2
assign (resid   7 and name HD#  ) (resid  13 and (name HD2# or name HD1#  )) 3.6  1.3  1.3
assign (resid   7 and name HE#  ) (resid  13 and (name HD2# or name HD1#  )) 2.7  0.9  0.9
assign (resid   7 and name HZ  ) (resid  13 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid   8 and name HA  ) (resid   8 and name HE#  )  3.0  1.0  1.4
assign (resid   8 and name HA  ) (resid   8 and name HN  )  3.0  1.0  1.0
assign (resid   8 and name HA  ) (resid   8 and name HZ  )  3.4  1.2  2.3
assign (resid   8 and (name HB1 or name HB2  )) (resid   8 and name HE#  )  2.5  0.9  0.9
assign (resid   8 and (name HB1 or name HB2  )) (resid   8 and name HN  )  2.7  0.9  0.9
assign (resid   8 and (name HB1 or name HB2  )) (resid   8 and name HZ  )  2.9  1.0  1.7
assign (resid   8 and (name HB2 or name HB1  )) (resid   8 and name HE#  )  2.6  0.9  0.9
assign (resid   8 and (name HB2 or name HB1  )) (resid   8 and name HN  )  2.7  0.9  0.9
assign (resid   8 and (name HB2 or name HB1  )) (resid   8 and name HZ  )  3.0  1.0  1.6
assign (resid   8 and name HE#  ) (resid   8 and name HN  )  2.8  1.0  1.0
assign (resid   8 and name HN  ) (resid   8 and name HZ  )  2.5  0.9  1.3
assign (resid   8 and (name HB1 or name HB2  )) (resid   9 and name HN  )  2.7  0.9  0.9
assign (resid   8 and (name HB2 or name HB1  )) (resid   9 and name HN  )  2.9  1.0  1.0
assign (resid   8 and name HE#  ) (resid   9 and name HN  )  3.0  1.0  1.3
assign (resid   8 and name HN  ) (resid   9 and (name HB2 or name HB1  )) 2.9  1.0  1.0
assign (resid   8 and name HN  ) (resid   9 and name HN  )  2.9  1.0  1.0
assign (resid   8 and (name HB1 or name HB2  )) (resid  12 and name HD#  )  2.6  0.9  0.9
assign (resid   8 and (name HB1 or name HB2  )) (resid  12 and name HN  )  2.4  0.8  0.8
assign (resid   8 and name HE#  ) (resid  13 and (name HB2 or name HB1  )) 2.9  1.0  1.0
assign (resid   8 and name HE#  ) (resid  13 and (name HD1# or name HD2#  )) 2.8  1.0  1.0
assign (resid   8 and name HE#  ) (resid  13 and (name HD2# or name HD1#  )) 2.7  0.9  0.9
assign (resid   8 and name HN  ) (resid  13 and (name HB2 or name HB1  )) 2.9  1.0  1.0
assign (resid   8 and name HN  ) (resid  13 and (name HD2# or name HD1#  )) 2.8  1.0  1.0
assign (resid   8 and name HZ  ) (resid  13 and (name HB2 or name HB1  )) 3.1  1.1  1.5
assign (resid   8 and name HZ  ) (resid  13 and (name HD1# or name HD2#  )) 3.0  1.1  1.1
assign (resid   8 and name HZ  ) (resid  13 and (name HD2# or name HD1#  )) 3.0  1.1  1.1
assign (resid   9 and name HA  ) (resid   9 and (name HB1 or name HB2  )) 2.2  0.8  0.8
assign (resid   9 and name HA  ) (resid   9 and (name HB2 or name HB1  )) 2.2  0.8  0.8
assign (resid   9 and name HA  ) (resid   9 and (name HG2 or name HG1  )) 2.7  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and name HN  )  2.7  0.9  0.9
assign (resid   9 and (name HB1 or name HB2  )) (resid   9 and name HN  )  2.7  0.9  0.9
assign (resid   9 and (name HB2 or name HB1  )) (resid   9 and name HN  )  2.7  0.9  0.9
assign (resid   9 and name HD#  ) (resid   9 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid   9 and (name HG1 or name HG2  )) (resid   9 and name HN  )  2.9  1.0  1.0
assign (resid   9 and (name HG2 or name HG1  )) (resid   9 and name HN  )  2.9  1.0  1.0
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 HN  )  2.9  1.0  1.0
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 HN  )  2.9  1.0  1.0
assign (resid  12 and name HA  ) (resid  12 and name HB  )  2.6  0.9  0.9
assign (resid  12 and name HA  ) (resid  12 and name HD#  )  2.7  0.9  0.9
assign (resid  12 and name HA  ) (resid  12 and (name HG11 or name HG12  )) 2.5  0.9  0.9
assign (resid  12 and name HA  ) (resid  12 and (name HG12 or name HG11  )) 2.5  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  )  2.5  0.9  0.9
assign (resid  12 and name HB  ) (resid  12 and name HD#  )  2.5  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  )) 2.6  0.9  0.9
assign (resid  12 and name HB  ) (resid  12 and (name HG2# or name HD1#  )) 2.4  0.8  0.8
assign (resid  12 and name HB  ) (resid  12 and name HN  )  2.6  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  )  2.9  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  )  2.6  0.9  0.9
assign (resid  12 and (name HG12 or name HG11  )) (resid  12 and name HN  )  2.7  0.9  0.9
assign (resid  12 and (name HG2# or name HD1#  )) (resid  12 and name HN  )  2.7  0.9  0.9
assign (resid  12 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid  12 and name HA  ) (resid  13 and (name HB2 or name HB1  )) 2.8  1.0  1.0
assign (resid  12 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 2.9  1.0  1.0
assign (resid  12 and name HA  ) (resid  13 and name HN  )  2.5  0.9  0.9
assign (resid  12 and name HB  ) (resid  13 and (name HD1# or name HD2#  )) 2.8  1.0  1.0
assign (resid  12 and name HB  ) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  12 and (name HG11 or name HG12  )) (resid  13 and name HN  )  2.8  1.0  1.0
assign (resid  12 and (name HG12 or name HG11  )) (resid  13 and name HN  )  3.0  1.0  1.0
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 HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid  12 and name HN  ) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  12 and name HA  ) (resid  14 and name HN  )  2.9  1.0  1.0
assign (resid  12 and (name HG2# or name HD1#  )) (resid  14 and (name HB1 or name HB2  )) 2.8  1.0  1.0
assign (resid  12 and (name HG2# or name HD1#  )) (resid  14 and name HG#  )  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  12 and (name HG12 or name HG11  )) (resid  17 and name HG#  )  2.4  0.8  0.8
assign (resid  13 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 2.8  1.0  1.0
assign (resid  13 and name HA  ) (resid  13 and (name HB2 or name HB1  )) 2.2  0.8  0.8
assign (resid  13 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 2.6  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 HB1 or name HB2  )) (resid  13 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and (name HD2# or name HD1#  )) 2.5  0.9  0.9
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and name HN  )  2.6  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  )  2.9  1.0  1.0
assign (resid  13 and (name HD2# or name HD1#  )) (resid  13 and name HN  )  2.5  0.9  0.9
assign (resid  13 and name HA  ) (resid  14 and name HN  )  2.5  0.9  0.9
assign (resid  13 and (name HB1 or name HB2  )) (resid  14 and name HN  )  3.0  1.0  1.0
assign (resid  13 and (name HB2 or name HB1  )) (resid  14 and name HN  )  2.5  0.9  0.9
assign (resid  13 and (name HD1# or name HD2#  )) (resid  14 and name HN  )  2.8  1.0  1.0
assign (resid  13 and (name HD2# or name HD1#  )) (resid  14 and name HN  )  2.6  0.9  0.9
assign (resid  13 and name HN  ) (resid  14 and name HN  )  2.6  0.9  0.9
assign (resid  13 and (name HD1# or name HD2#  )) (resid  15 and name HD#  )  3.0  1.0  1.0
assign (resid  13 and (name HD2# or name HD1#  )) (resid  15 and name HD#  )  2.6  0.9  0.9
assign (resid  13 and (name HD2# or name HD1#  )) (resid  17 and name HE#  )  3.0  1.0  1.0
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  )) 2.2  0.8  0.8
assign (resid  14 and name HA  ) (resid  14 and name HG#  )  2.5  0.9  0.9
assign (resid  14 and name HA  ) (resid  14 and name HN  )  2.4  0.8  0.8
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and name HG#  )  2.6  0.9  0.9
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and name HN  )  2.7  0.9  0.9
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and name HN  )  2.6  0.9  0.9
assign (resid  14 and name HG#  ) (resid  14 and name HN  )  2.6  0.9  0.9
assign (resid  14 and name HA  ) (resid  15 and name HN  )  2.5  0.9  0.9
assign (resid  14 and (name HB1 or name HB2  )) (resid  15 and name HN  )  2.8  1.0  1.0
assign (resid  14 and name HG#  ) (resid  15 and name HE  )  2.7  0.9  0.9
assign (resid  14 and name HG#  ) (resid  15 and name HN  )  2.6  0.9  0.9
assign (resid  14 and name HN  ) (resid  17 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid  15 and name HA  ) (resid  15 and (name HB1 or name HB2  )) 2.2  0.8  0.8
assign (resid  15 and name HA  ) (resid  15 and (name HB2 or name HB1  )) 2.2  0.8  0.8
assign (resid  15 and name HA  ) (resid  15 and name HD#  )  2.3  0.8  0.8
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and name HD#  )  2.4  0.8  0.8
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#  )  2.5  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  )  3.0  1.0  1.0
assign (resid  15 and name HD#  ) (resid  15 and name HN  )  2.9  1.0  1.0
assign (resid  15 and name HA  ) (resid  16 and name HN  )  2.4  0.8  0.8
assign (resid  15 and (name HB1 or name HB2  )) (resid  16 and name HN  )  2.7  0.9  0.9
assign (resid  15 and name HA  ) (resid  17 and name HN  )  2.9  1.0  1.0
assign (resid  16 and name HA  ) (resid  16 and (name HB1 or name HB2  )) 3.3  1.2  1.2
assign (resid  16 and name HA  ) (resid  16 and name HG#  )  2.6  0.9  0.9
assign (resid  16 and name HA  ) (resid  16 and name HN  )  2.6  0.9  0.9
assign (resid  16 and (name HB1 or name HB2  )) (resid  16 and name HN  )  2.7  0.9  0.9
assign (resid  16 and (name HB2 or name HB1  )) (resid  16 and name HE#  )  2.4  0.8  0.8
assign (resid  16 and (name HB2 or name HB1  )) (resid  16 and name HN  )  2.5  0.9  0.9
assign (resid  16 and name HE#  ) (resid  16 and name HG#  )  2.8  1.0  1.0
assign (resid  16 and name HE#  ) (resid  16 and name HN  )  2.9  1.0  1.0
assign (resid  16 and name HG#  ) (resid  16 and name HN  )  3.2  1.1  1.1
assign (resid  16 and name HA  ) (resid  17 and (name HB2 or name HB1  )) 5.0  1.8  1.8
assign (resid  16 and name HA  ) (resid  17 and name HN  )  2.4  0.8  0.8
assign (resid  16 and (name HB1 or name HB2  )) (resid  17 and name HE#  )  2.9  1.0  1.0
assign (resid  16 and (name HB1 or name HB2  )) (resid  17 and name HN  )  2.6  0.9  0.9
assign (resid  16 and name HE#  ) (resid  17 and name HG#  )  3.1  1.1  1.1
assign (resid  16 and name HG#  ) (resid  17 and name HE#  )  2.6  0.9  0.9
assign (resid  16 and name HN  ) (resid  17 and name HN  )  2.6  0.9  0.9
assign (resid  17 and name HA  ) (resid  17 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  17 and name HA  ) (resid  17 and name HG#  )  2.8  1.0  1.0
assign (resid  17 and name HA  ) (resid  17 and name HN  )  2.6  0.9  0.9
assign (resid  17 and (name HB1 or name HB2  )) (resid  17 and name HN  )  3.0  1.1  1.1
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 HE#  ) (resid  17 and name HN  )  3.3  1.2  1.2
assign (resid  17 and name HG#  ) (resid  17 and name HN  )  2.5  0.9  0.9
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           HT1      GLU   1   7.211  15.804 -16.884
    2    H2   GLU   1           HT2      GLU   1   6.541  16.778 -15.665
    3    H3   GLU   1           HT3      GLU   1   5.860  15.259 -16.010
    4    HA   GLU   1           HA       GLU   1   7.641  14.103 -15.132
    5    HB2  GLU   1           HB2      GLU   1   9.755  15.196 -14.393
    6    HB3  GLU   1           HB1      GLU   1   9.444  15.495 -16.138
    7    HG2  GLU   1           HG2      GLU   1   8.493  17.775 -15.564
    8    HG3  GLU   1           HG1      GLU   1   8.890  17.479 -13.825
    9    H    MET   2           HN       MET   2   5.369  16.173 -14.194
   10    HA   MET   2           HA       MET   2   4.360  16.597 -12.262
   11    HB2  MET   2           HB2      MET   2   6.429  14.689 -11.043
   12    HB3  MET   2           HB1      MET   2   5.133  15.481 -10.093
   13    HG2  MET   2           HG2      MET   2   3.392  14.373 -11.416
   14    HG3  MET   2           HG1      MET   2   4.615  13.683 -12.530
   15    HE1  MET   2           HE1      MET   2   4.673  13.689  -8.262
   16    HE2  MET   2           HE2      MET   2   3.261  12.581  -8.349
   17    HE3  MET   2           HE3      MET   2   3.219  14.156  -9.212
   18    H    ARG   3           HN       ARG   3   4.949  17.321  -9.813
   19    HA   ARG   3           HA       ARG   3   7.038  19.267 -10.216
   20    HB2  ARG   3           HB2      ARG   3   4.791  20.292 -10.018
   21    HB3  ARG   3           HB1      ARG   3   4.555  19.378  -8.489
   22    HG2  ARG   3           HG2      ARG   3   6.287  20.638  -7.350
   23    HG3  ARG   3           HG1      ARG   3   6.835  21.403  -8.884
   24    HD2  ARG   3           HD2      ARG   3   4.685  22.650  -9.070
   25    HD3  ARG   3           HD1      ARG   3   4.059  21.824  -7.578
   26    HE   ARG   3           HE       ARG   3   5.447  23.223  -6.261
   27   HH11  ARG   3          HH11      ARG   3   6.304  23.447  -9.717
   28   HH12  ARG   3          HH12      ARG   3   7.374  24.794  -9.519
   29   HH21  ARG   3          HH21      ARG   3   6.899  25.054  -6.000
   30   HH22  ARG   3          HH22      ARG   3   7.718  25.722  -7.372
   31    H    LEU   4           HN       LEU   4   5.301  17.480  -7.748
   32    HA   LEU   4           HA       LEU   4   7.399  17.681  -5.887
   33    HB2  LEU   4           HB2      LEU   4   5.474  15.354  -5.862
   34    HB3  LEU   4           HB1      LEU   4   6.033  16.371  -4.473
   35    HG   LEU   4           HG       LEU   4   4.607  18.270  -5.605
   36   HD11  LEU   4          HD11      LEU   4   3.992  15.999  -7.395
   37   HD12  LEU   4          HD12      LEU   4   3.517  17.738  -7.538
   38   HD13  LEU   4          HD13      LEU   4   2.497  16.596  -6.581
   39   HD21  LEU   4          HD21      LEU   4   2.488  17.283  -4.453
   40   HD22  LEU   4          HD22      LEU   4   3.976  17.446  -3.446
   41   HD23  LEU   4          HD23      LEU   4   3.500  15.829  -4.098
   42    H    SER   5           HN       SER   5   6.375  15.503  -8.479
   43    HA   SER   5           HA       SER   5   7.241  13.567  -9.220
   44    HB2  SER   5           HB2      SER   5   8.849  15.380 -10.127
   45    HB3  SER   5           HB1      SER   5   9.966  14.937  -8.780
   46    HG   SER   5           HG       SER   5   9.393  13.662 -11.130
   47    H    ORN   6           HN       ORN   6  10.415  13.499  -7.888
   48    HA   ORN   6           HA       ORN   6   9.482  11.563  -5.909
   49    HB2  ORN   6           HB1      ORN   6  12.301  12.200  -6.985
   50    HB3  ORN   6           HB2      ORN   6  11.336  10.734  -7.361
   51    HG2  ORN   6           HG1      ORN   6  12.286  11.454  -4.512
   52    HG3  ORN   6           HG2      ORN   6  13.236  10.444  -5.646
   53    HD2  ORN   6           HD2      ORN   6  10.378   9.557  -5.273
   54    HD3  ORN   6           HD1      ORN   6  11.904   8.588  -5.338
   55    H    PHE   7           HN       PHE   7   8.532  13.675  -4.901
   56    HA   PHE   7           HA       PHE   7  10.239  15.478  -3.784
   57    HB2  PHE   7           HB2      PHE   7   8.169  15.795  -2.186
   58    HB3  PHE   7           HB1      PHE   7   7.955  16.131  -3.915
   59    HD1  PHE   7           HD1      PHE   7   6.642  14.543  -1.116
   60    HD2  PHE   7           HD2      PHE   7   7.025  14.131  -5.287
   61    HE1  PHE   7           HE1      PHE   7   4.657  13.209  -1.145
   62    HE2  PHE   7           HE2      PHE   7   5.010  12.784  -5.329
   63    HZ   PHE   7           HZ       PHE   7   3.825  12.342  -3.222
   64    H    PHE   8           HN       PHE   8   8.339  14.312  -1.238
   65    HA   PHE   8           HA       PHE   8  10.710  13.083  -0.063
   66    HB2  PHE   8           HB2      PHE   8   8.661  13.908   1.906
   67    HB3  PHE   8           HB1      PHE   8  10.369  14.521   1.757
   68    HD1  PHE   8           HD1      PHE   8   6.954  14.994   1.016
   69    HD2  PHE   8           HD2      PHE   8  10.883  16.234   0.183
   70    HE1  PHE   8           HE1      PHE   8   6.082  16.788  -0.330
   71    HE2  PHE   8           HE2      PHE   8  10.021  18.076  -1.117
   72    HZ   PHE   8           HZ       PHE   8   7.612  18.281  -1.408
   73    H    ARG   9           HN       ARG   9   8.121  12.416  -1.740
   74    HA   ARG   9           HA       ARG   9   6.383  10.808  -0.377
   75    HB2  ARG   9           HB2      ARG   9   6.481  11.482  -2.936
   76    HB3  ARG   9           HB1      ARG   9   7.436   9.984  -3.114
   77    HG2  ARG   9           HG2      ARG   9   5.590   8.625  -2.213
   78    HG3  ARG   9           HG1      ARG   9   4.625  10.101  -1.866
   79    HD2  ARG   9           HD2      ARG   9   4.552  10.630  -4.344
   80    HD3  ARG   9           HD1      ARG   9   5.473   9.097  -4.676
   81    HE   ARG   9           HE       ARG   9   2.633   9.316  -3.840
   82   HH11  ARG   9          HH11      ARG   9   5.554   7.290  -4.134
   83   HH12  ARG   9          HH12      ARG   9   4.694   5.787  -4.150
   84   HH21  ARG   9          HH21      ARG   9   1.471   7.272  -3.860
   85   HH22  ARG   9          HH22      ARG   9   2.335   5.777  -3.992
   86    H    ASN  10           HN       ASN  10   9.731  10.118  -1.343
   87    HA   ASN  10           HA       ASN  10   9.469   7.327  -1.161
   88    HB2  ASN  10           HB2      ASN  10  11.901   9.187  -0.896
   89    HB3  ASN  10           HB1      ASN  10  12.025   7.386  -0.877
   90   HD21  ASN  10          HD21      ASN  10  11.568  10.270  -2.884
   91    H    PHE  11           HN       PHE  11   9.286   9.825   1.200
   92    HA   PHE  11           HA       PHE  11   9.781   7.807   3.276
   93    HB2  PHE  11           HB2      PHE  11  11.309  10.003   3.222
   94    HB3  PHE  11           HB1      PHE  11   9.822  10.823   3.826
   95    HD1  PHE  11           HD1      PHE  11  11.815   7.724   4.550
   96    HD2  PHE  11           HD2      PHE  11   9.685  11.069   6.083
   97    HE1  PHE  11           HE1      PHE  11  12.397   7.053   6.834
   98    HE2  PHE  11           HE2      PHE  11  10.267  10.392   8.364
   99    HZ   PHE  11           HZ       PHE  11  11.624   8.385   8.742
  100    H    ILE  12           HN       ILE  12   8.027  11.018   2.829
  101    HA   ILE  12           HA       ILE  12   5.505   9.830   3.050
  102    HB   ILE  12           HB       ILE  12   4.876  11.354   5.043
  103   HG12  ILE  12          HG12      ILE  12   7.114  10.937   6.690
  104   HG13  ILE  12          HG11      ILE  12   7.856  11.490   5.146
  105   HG21  ILE  12          HG21      ILE  12   6.465   8.804   5.681
  106   HG22  ILE  12          HG22      ILE  12   4.837   8.799   4.905
  107   HG23  ILE  12          HG23      ILE  12   5.050   9.478   6.560
  108   HD11  ILE  12          HD11      ILE  12   6.965  13.626   5.315
  109   HD12  ILE  12          HD12      ILE  12   6.947  13.218   7.073
  110   HD13  ILE  12          HD13      ILE  12   5.441  13.052   6.091
  111    H    LEU  13           HN       LEU  13   5.198  12.820   4.393
  112    HA   LEU  13           HA       LEU  13   6.065  14.671   2.760
  113    HB2  LEU  13           HB2      LEU  13   5.314  14.304   0.605
  114    HB3  LEU  13           HB1      LEU  13   4.349  12.896   1.150
  115    HG   LEU  13           HG       LEU  13   3.305  15.704   1.689
  116   HD11  LEU  13          HD11      LEU  13   2.429  16.029  -0.478
  117   HD12  LEU  13          HD12      LEU  13   2.767  14.329  -0.983
  118   HD13  LEU  13          HD13      LEU  13   4.135  15.496  -0.765
  119   HD21  LEU  13          HD21      LEU  13   1.392  13.671   0.742
  120   HD22  LEU  13          HD22      LEU  13   1.439  14.576   2.306
  121   HD23  LEU  13          HD23      LEU  13   2.375  13.035   2.125
  122    H    GLN  14           HN       GLN  14   3.406  13.082   4.418
  123    HA   GLN  14           HA       GLN  14   1.867  15.445   4.633
  124    HB2  GLN  14           HB2      GLN  14   1.832  12.782   6.099
  125    HB3  GLN  14           HB1      GLN  14   0.834  14.161   6.690
  126    HG2  GLN  14           HG2      GLN  14  -0.194  14.351   4.370
  127    HG3  GLN  14           HG1      GLN  14   0.709  12.852   3.899
  128   HE21  GLN  14          HE21      GLN  14  -1.612  14.140   6.386
  129   HE22  GLN  14          HE22      GLN  14  -2.430  12.638   6.651
  130    H    ARG  15           HN       ARG  15   1.755  16.973   6.163
  131    HA   ARG  15           HA       ARG  15   4.133  17.428   7.593
  132    HB2  ARG  15           HB2      ARG  15   1.396  18.810   7.633
  133    HB3  ARG  15           HB1      ARG  15   2.829  19.416   8.535
  134    HG2  ARG  15           HG2      ARG  15   2.661  20.674   6.459
  135    HG3  ARG  15           HG1      ARG  15   4.096  19.603   6.357
  136    HD2  ARG  15           HD2      ARG  15   2.681  19.717   4.199
  137    HD3  ARG  15           HD1      ARG  15   2.898  18.032   4.837
  138    HE   ARG  15           HE       ARG  15   0.575  17.968   5.325
  139   HH11  ARG  15          HH11      ARG  15   1.643  21.295   4.597
  140   HH12  ARG  15          HH12      ARG  15   0.043  21.951   4.508
  141   HH21  ARG  15          HH21      ARG  15  -1.597  18.867   5.198
  142   HH22  ARG  15          HH22      ARG  15  -1.828  20.548   4.856
  143    H    LYS  16           HN       LYS  16   1.098  15.853   8.231
  144    HA   LYS  16           HA       LYS  16   1.098  16.090  11.013
  145    HB2  LYS  16           HB2      LYS  16  -0.894  15.293   9.738
  146    HB3  LYS  16           HB1      LYS  16   0.042  13.858   9.199
  147    HG2  LYS  16           HG2      LYS  16   0.149  12.973  11.468
  148    HG3  LYS  16           HG1      LYS  16  -0.545  14.487  12.153
  149    HD2  LYS  16           HD2      LYS  16  -2.273  12.728  12.032
  150    HD3  LYS  16           HD1      LYS  16  -2.675  14.075  10.909
  151    HE2  LYS  16           HE2      LYS  16  -1.793  12.758   8.974
  152    HE3  LYS  16           HE1      LYS  16  -1.333  11.407  10.095
  153    HZ1  LYS  16           HZ1      LYS  16  -3.634  11.159  10.682
  154    HZ2  LYS  16           HZ2      LYS  16  -3.450  11.054   8.998
  155    HZ3  LYS  16           HZ3      LYS  16  -4.087  12.465   9.696
  156    H    LYS  17           HN       LYS  17   2.643  13.913   8.692
  157    HA   LYS  17           HA       LYS  17   3.591  12.122  10.678
  158    HB2  LYS  17           HB2      LYS  17   3.828  12.467   7.721
  159    HB3  LYS  17           HB1      LYS  17   5.348  11.885   8.489
  160    HG2  LYS  17           HG2      LYS  17   4.523   9.808   8.733
  161    HG3  LYS  17           HG1      LYS  17   3.069  10.421   9.600
  162    HD2  LYS  17           HD2      LYS  17   3.280  10.616   6.551
  163    HD3  LYS  17           HD1      LYS  17   2.779   9.082   7.338
  164    HE2  LYS  17           HE2      LYS  17   1.350  11.619   8.227
  165    HE3  LYS  17           HE1      LYS  17   0.990  10.982   6.565
  166    HZ1  LYS  17           HZ1      LYS  17  -0.144   9.327   7.425
  167    HZ2  LYS  17           HZ2      LYS  17  -0.075  10.126   8.922
  168    HZ3  LYS  17           HZ3      LYS  17   1.062   8.920   8.550
  Start of MODEL    2
    1    H1   GLU   1           HT1      GLU   1   6.623  17.203 -15.749
    2    H2   GLU   1           HT2      GLU   1   6.428  16.807 -17.390
    3    H3   GLU   1           HT3      GLU   1   7.721  16.150 -16.505
    4    HA   GLU   1           HA       GLU   1   5.016  15.285 -16.731
    5    HB2  GLU   1           HB2      GLU   1   7.644  14.081 -15.702
    6    HB3  GLU   1           HB1      GLU   1   6.105  13.148 -15.749
    7    HG2  GLU   1           HG2      GLU   1   5.969  13.372 -18.211
    8    HG3  GLU   1           HG1      GLU   1   7.416  14.456 -18.227
    9    H    MET   2           HN       MET   2   7.291  15.966 -13.988
   10    HA   MET   2           HA       MET   2   4.930  16.079 -12.286
   11    HB2  MET   2           HB2      MET   2   7.277  14.209 -11.945
   12    HB3  MET   2           HB1      MET   2   6.722  15.092 -10.481
   13    HG2  MET   2           HG2      MET   2   4.890  13.408 -12.291
   14    HG3  MET   2           HG1      MET   2   5.694  12.787 -10.814
   15    HE1  MET   2           HE1      MET   2   3.400  11.960 -10.062
   16    HE2  MET   2           HE2      MET   2   2.613  12.681 -11.508
   17    HE3  MET   2           HE3      MET   2   1.927  12.973  -9.873
   18    H    ARG   3           HN       ARG   3   5.521  17.067 -10.130
   19    HA   ARG   3           HA       ARG   3   7.563  19.048 -10.635
   20    HB2  ARG   3           HB2      ARG   3   5.285  20.038 -10.565
   21    HB3  ARG   3           HB1      ARG   3   5.038  19.241  -8.973
   22    HG2  ARG   3           HG2      ARG   3   6.744  20.615  -7.917
   23    HG3  ARG   3           HG1      ARG   3   7.278  21.281  -9.501
   24    HD2  ARG   3           HD2      ARG   3   5.863  22.948  -8.297
   25    HD3  ARG   3           HD1      ARG   3   4.993  22.356  -9.777
   26    HE   ARG   3           HE       ARG   3   3.414  21.269  -8.380
   27   HH11  ARG   3          HH11      ARG   3   6.228  22.412  -6.511
   28   HH12  ARG   3          HH12      ARG   3   5.513  22.113  -4.963
   29   HH21  ARG   3          HH21      ARG   3   2.446  20.866  -6.275
   30   HH22  ARG   3          HH22      ARG   3   3.327  21.218  -4.827
   31    H    LEU   4           HN       LEU   4   5.786  17.434  -8.073
   32    HA   LEU   4           HA       LEU   4   7.796  17.859  -6.168
   33    HB2  LEU   4           HB2      LEU   4   5.998  15.441  -6.001
   34    HB3  LEU   4           HB1      LEU   4   6.395  16.639  -4.708
   35    HG   LEU   4           HG       LEU   4   4.936  18.297  -6.147
   36   HD11  LEU   4          HD11      LEU   4   3.969  17.475  -8.041
   37   HD12  LEU   4          HD12      LEU   4   3.024  16.323  -7.020
   38   HD13  LEU   4          HD13      LEU   4   4.617  15.820  -7.701
   39   HD21  LEU   4          HD21      LEU   4   4.287  17.598  -3.903
   40   HD22  LEU   4          HD22      LEU   4   3.782  15.966  -4.490
   41   HD23  LEU   4          HD23      LEU   4   2.839  17.431  -4.969
   42    H    SER   5           HN       SER   5   6.971  15.449  -8.598
   43    HA   SER   5           HA       SER   5   7.970  13.622  -9.315
   44    HB2  SER   5           HB2      SER   5  10.477  15.107  -8.346
   45    HB3  SER   5           HB1      SER   5  10.560  13.529  -9.229
   46    HG   SER   5           HG       SER   5   9.775  16.068 -10.091
   47    H    ORN   6           HN       ORN   6  10.633  13.670  -6.980
   48    HA   ORN   6           HA       ORN   6   9.435  11.285  -5.765
   49    HB2  ORN   6           HB1      ORN   6  12.250  12.225  -6.378
   50    HB3  ORN   6           HB2      ORN   6  11.548  10.588  -6.546
   51    HG2  ORN   6           HG1      ORN   6  12.097  11.757  -3.762
   52    HG3  ORN   6           HG2      ORN   6  13.413  11.043  -4.742
   53    HD2  ORN   6           HD2      ORN   6  10.968   9.313  -4.621
   54    HD3  ORN   6           HD1      ORN   6  12.710   8.893  -4.375
   55    H    PHE   7           HN       PHE   7   9.681  14.575  -5.327
   56    HA   PHE   7           HA       PHE   7  10.459  15.839  -3.581
   57    HB2  PHE   7           HB2      PHE   7   8.235  16.074  -2.247
   58    HB3  PHE   7           HB1      PHE   7   8.204  16.390  -3.992
   59    HD1  PHE   7           HD1      PHE   7   6.523  15.023  -1.401
   60    HD2  PHE   7           HD2      PHE   7   7.676  14.125  -5.350
   61    HE1  PHE   7           HE1      PHE   7   4.618  13.574  -1.615
   62    HE2  PHE   7           HE2      PHE   7   5.767  12.676  -5.576
   63    HZ   PHE   7           HZ       PHE   7   4.219  12.415  -3.677
   64    H    PHE   8           HN       PHE   8   8.305  14.509  -1.372
   65    HA   PHE   8           HA       PHE   8  10.540  13.406   0.134
   66    HB2  PHE   8           HB2      PHE   8   8.399  14.433   1.897
   67    HB3  PHE   8           HB1      PHE   8  10.140  14.963   1.839
   68    HD1  PHE   8           HD1      PHE   8   6.815  15.560   0.795
   69    HD2  PHE   8           HD2      PHE   8  10.852  16.560   0.227
   70    HE1  PHE   8           HE1      PHE   8   6.140  17.290  -0.696
   71    HE2  PHE   8           HE2      PHE   8  10.181  18.359  -1.234
   72    HZ   PHE   8           HZ       PHE   8   7.812  18.647  -1.724
   73    H    ARG   9           HN       ARG   9   8.212  12.608  -1.718
   74    HA   ARG   9           HA       ARG   9   6.264  11.194  -0.382
   75    HB2  ARG   9           HB2      ARG   9   6.670  11.564  -2.982
   76    HB3  ARG   9           HB1      ARG   9   7.605  10.049  -2.871
   77    HG2  ARG   9           HG2      ARG   9   5.654   8.802  -2.092
   78    HG3  ARG   9           HG1      ARG   9   4.685  10.308  -1.939
   79    HD2  ARG   9           HD2      ARG   9   4.003   9.207  -4.024
   80    HD3  ARG   9           HD1      ARG   9   5.017  10.640  -4.504
   81    HE   ARG   9           HE       ARG   9   6.733   8.342  -4.189
   82   HH11  ARG   9          HH11      ARG   9   4.125   9.640  -6.237
   83   HH12  ARG   9          HH12      ARG   9   4.648   8.839  -7.680
   84   HH21  ARG   9          HH21      ARG   9   7.447   7.252  -6.151
   85   HH22  ARG   9          HH22      ARG   9   6.570   7.457  -7.629
   86    H    ASN  10           HN       ASN  10   9.677  10.372  -1.027
   87    HA   ASN  10           HA       ASN  10   9.457   7.638  -0.538
   88    HB2  ASN  10           HB2      ASN  10  11.793   9.584  -0.085
   89    HB3  ASN  10           HB1      ASN  10  11.939   7.794   0.082
   90   HD21  ASN  10          HD21      ASN  10  11.719  10.518  -2.150
   91    H    PHE  11           HN       PHE  11   9.314  10.453   1.589
   92    HA   PHE  11           HA       PHE  11   9.662   8.690   3.887
   93    HB2  PHE  11           HB2      PHE  11   9.220  11.741   3.736
   94    HB3  PHE  11           HB1      PHE  11   9.427  10.804   5.264
   95    HD1  PHE  11           HD1      PHE  11  11.072  12.341   2.415
   96    HD2  PHE  11           HD2      PHE  11  11.598   9.768   5.758
   97    HE1  PHE  11           HE1      PHE  11  13.499  12.648   2.271
   98    HE2  PHE  11           HE2      PHE  11  14.025  10.081   5.612
   99    HZ   PHE  11           HZ       PHE  11  14.978  11.520   3.870
  100    H    ILE  12           HN       ILE  12   7.342  11.374   2.920
  101    HA   ILE  12           HA       ILE  12   5.121   9.730   2.876
  102    HB   ILE  12           HB       ILE  12   4.113  11.179   4.947
  103   HG12  ILE  12          HG12      ILE  12   5.748  10.524   6.908
  104   HG13  ILE  12          HG11      ILE  12   7.023  10.552   5.655
  105   HG21  ILE  12          HG21      ILE  12   4.713   8.764   6.191
  106   HG22  ILE  12          HG22      ILE  12   4.924   8.343   4.451
  107   HG23  ILE  12          HG23      ILE  12   3.360   9.029   5.029
  108   HD11  ILE  12          HD11      ILE  12   6.775  12.883   5.248
  109   HD12  ILE  12          HD12      ILE  12   6.499  12.764   7.029
  110   HD13  ILE  12          HD13      ILE  12   5.093  12.917   5.907
  111    H    LEU  13           HN       LEU  13   6.637  12.826   3.457
  112    HA   LEU  13           HA       LEU  13   6.390  14.691   2.354
  113    HB2  LEU  13           HB2      LEU  13   5.546  14.406   0.228
  114    HB3  LEU  13           HB1      LEU  13   4.483  13.067   0.764
  115    HG   LEU  13           HG       LEU  13   3.782  15.965   1.442
  116   HD11  LEU  13          HD11      LEU  13   2.622  16.324  -0.627
  117   HD12  LEU  13          HD12      LEU  13   2.949  14.641  -1.189
  118   HD13  LEU  13          HD13      LEU  13   4.311  15.825  -1.037
  119   HD21  LEU  13          HD21      LEU  13   2.609  13.470   2.044
  120   HD22  LEU  13          HD22      LEU  13   1.596  14.107   0.688
  121   HD23  LEU  13          HD23      LEU  13   1.825  15.093   2.189
  122    H    GLN  14           HN       GLN  14   3.811  13.159   4.208
  123    HA   GLN  14           HA       GLN  14   2.445  15.598   4.568
  124    HB2  GLN  14           HB2      GLN  14   2.144  12.813   5.514
  125    HB3  GLN  14           HB1      GLN  14   1.737  14.026   6.776
  126    HG2  GLN  14           HG2      GLN  14  -0.331  13.987   5.747
  127    HG3  GLN  14           HG1      GLN  14   0.462  15.185   4.641
  128   HE21  GLN  14          HE21      GLN  14  -1.298  14.264   3.151
  129   HE22  GLN  14          HE22      GLN  14  -0.887  12.878   2.199
  130    H    ARG  15           HN       ARG  15   1.957  16.237   6.974
  131    HA   ARG  15           HA       ARG  15   4.573  16.808   8.083
  132    HB2  ARG  15           HB2      ARG  15   2.080  18.435   8.683
  133    HB3  ARG  15           HB1      ARG  15   3.800  18.956   8.748
  134    HG2  ARG  15           HG2      ARG  15   2.906  20.056   6.826
  135    HG3  ARG  15           HG1      ARG  15   3.850  18.677   6.168
  136    HD2  ARG  15           HD2      ARG  15   1.847  17.410   5.638
  137    HD3  ARG  15           HD1      ARG  15   0.792  18.496   6.643
  138    HE   ARG  15           HE       ARG  15   1.705  18.931   3.893
  139   HH11  ARG  15          HH11      ARG  15   0.689  20.478   6.944
  140   HH12  ARG  15          HH12      ARG  15   0.104  21.926   6.195
  141   HH21  ARG  15          HH21      ARG  15   0.908  20.904   2.880
  142   HH22  ARG  15          HH22      ARG  15   0.231  22.170   3.846
  143    H    LYS  16           HN       LYS  16   1.250  15.749   8.611
  144    HA   LYS  16           HA       LYS  16   1.509  15.640  11.431
  145    HB2  LYS  16           HB2      LYS  16  -0.606  14.330  11.383
  146    HB3  LYS  16           HB1      LYS  16  -0.740  15.816  10.391
  147    HG2  LYS  16           HG2      LYS  16  -0.260  14.442   8.337
  148    HG3  LYS  16           HG1      LYS  16  -0.241  12.969   9.369
  149    HD2  LYS  16           HD2      LYS  16  -2.583  13.390  10.061
  150    HD3  LYS  16           HD1      LYS  16  -2.612  14.914   9.103
  151    HE2  LYS  16           HE2      LYS  16  -2.212  13.613   7.012
  152    HE3  LYS  16           HE1      LYS  16  -2.196  12.079   7.976
  153    HZ1  LYS  16           HZ1      LYS  16  -4.420  12.290   8.467
  154    HZ2  LYS  16           HZ2      LYS  16  -4.343  12.807   6.851
  155    HZ3  LYS  16           HZ3      LYS  16  -4.484  13.946   8.102
  156    H    LYS  17           HN       LYS  17   2.507  13.695   8.771
  157    HA   LYS  17           HA       LYS  17   2.658  11.292  10.337
  158    HB2  LYS  17           HB2      LYS  17   3.130  12.077   7.483
  159    HB3  LYS  17           HB1      LYS  17   4.319  10.891   8.123
  160    HG2  LYS  17           HG2      LYS  17   2.823   9.193   8.135
  161    HG3  LYS  17           HG1      LYS  17   1.544  10.204   8.895
  162    HD2  LYS  17           HD2      LYS  17   2.211  10.760   5.992
  163    HD3  LYS  17           HD1      LYS  17   1.365   9.219   6.358
  164    HE2  LYS  17           HE2      LYS  17   0.267  11.756   7.650
  165    HE3  LYS  17           HE1      LYS  17   0.004  11.515   5.867
  166    HZ1  LYS  17           HZ1      LYS  17  -0.542   9.333   7.783
  167    HZ2  LYS  17           HZ2      LYS  17  -1.187   9.612   6.237
  168    HZ3  LYS  17           HZ3      LYS  17  -1.667  10.582   7.546
  Start of MODEL    3
    1    H1   GLU   1           HT1      GLU   1   6.236  17.366 -14.656
    2    H2   GLU   1           HT2      GLU   1   5.717  17.249 -16.269
    3    H3   GLU   1           HT3      GLU   1   6.182  15.852 -15.425
    4    HA   GLU   1           HA       GLU   1   3.682  17.202 -15.501
    5    HB2  GLU   1           HB2      GLU   1   4.696  14.484 -14.503
    6    HB3  GLU   1           HB1      GLU   1   2.958  14.948 -14.443
    7    HG2  GLU   1           HG2      GLU   1   2.862  15.168 -16.904
    8    HG3  GLU   1           HG1      GLU   1   4.644  14.893 -17.038
    9    H    MET   2           HN       MET   2   5.842  15.970 -12.849
   10    HA   MET   2           HA       MET   2   4.367  17.772 -11.077
   11    HB2  MET   2           HB2      MET   2   5.155  14.874 -10.507
   12    HB3  MET   2           HB1      MET   2   4.865  16.072  -9.199
   13    HG2  MET   2           HG2      MET   2   2.543  16.417  -9.988
   14    HG3  MET   2           HG1      MET   2   2.813  15.293 -11.362
   15    HE1  MET   2           HE1      MET   2   0.585  14.344 -10.621
   16    HE2  MET   2           HE2      MET   2   0.455  15.262  -9.081
   17    HE3  MET   2           HE3      MET   2   0.242  13.477  -9.084
   18    H    ARG   3           HN       ARG   3   5.532  18.522  -9.302
   19    HA   ARG   3           HA       ARG   3   8.346  18.567  -9.849
   20    HB2  ARG   3           HB2      ARG   3   7.145  20.711  -9.363
   21    HB3  ARG   3           HB1      ARG   3   6.660  19.992  -7.789
   22    HG2  ARG   3           HG2      ARG   3   8.919  19.933  -6.980
   23    HG3  ARG   3           HG1      ARG   3   9.595  20.330  -8.601
   24    HD2  ARG   3           HD2      ARG   3   8.595  22.615  -8.494
   25    HD3  ARG   3           HD1      ARG   3   7.824  22.216  -6.898
   26    HE   ARG   3           HE       ARG   3   9.943  22.435  -5.857
   27   HH11  ARG   3          HH11      ARG   3  10.252  22.374  -9.411
   28   HH12  ARG   3          HH12      ARG   3  11.925  22.821  -9.423
   29   HH21  ARG   3          HH21      ARG   3  12.214  23.042  -5.881
   30   HH22  ARG   3          HH22      ARG   3  13.058  23.207  -7.384
   31    H    LEU   4           HN       LEU   4   6.030  17.952  -7.256
   32    HA   LEU   4           HA       LEU   4   8.147  16.726  -5.776
   33    HB2  LEU   4           HB2      LEU   4   6.208  16.108  -4.172
   34    HB3  LEU   4           HB1      LEU   4   6.736  17.820  -4.224
   35    HG   LEU   4           HG       LEU   4   4.432  16.744  -5.919
   36   HD11  LEU   4          HD11      LEU   4   4.446  17.704  -3.011
   37   HD12  LEU   4          HD12      LEU   4   3.702  16.217  -3.726
   38   HD13  LEU   4          HD13      LEU   4   2.972  17.842  -4.050
   39   HD21  LEU   4          HD21      LEU   4   4.365  18.834  -6.765
   40   HD22  LEU   4          HD22      LEU   4   5.829  19.266  -5.798
   41   HD23  LEU   4          HD23      LEU   4   4.177  19.534  -5.108
   42    H    SER   5           HN       SER   5   8.401  15.384  -7.590
   43    HA   SER   5           HA       SER   5   6.542  13.144  -7.487
   44    HB2  SER   5           HB2      SER   5   7.031  13.988  -9.831
   45    HB3  SER   5           HB1      SER   5   8.789  13.687  -9.539
   46    HG   SER   5           HG       SER   5   8.481  11.637  -9.768
   47    H    ORN   6           HN       ORN   6   7.154  11.718  -5.877
   48    HA   ORN   6           HA       ORN   6   8.388  10.260  -4.769
   49    HB2  ORN   6           HB1      ORN   6  11.070  10.862  -6.005
   50    HB3  ORN   6           HB2      ORN   6   9.836  10.130  -7.091
   51    HG2  ORN   6           HG1      ORN   6  10.494   8.119  -6.250
   52    HG3  ORN   6           HG2      ORN   6   9.601   8.570  -4.760
   53    HD2  ORN   6           HD2      ORN   6  12.435   8.046  -5.049
   54    HD3  ORN   6           HD1      ORN   6  12.264   9.807  -4.670
   55    H    PHE   7           HN       PHE   7   9.234  13.558  -5.222
   56    HA   PHE   7           HA       PHE   7  10.878  14.785  -4.104
   57    HB2  PHE   7           HB2      PHE   7   9.239  15.631  -2.157
   58    HB3  PHE   7           HB1      PHE   7   8.845  15.934  -3.862
   59    HD1  PHE   7           HD1      PHE   7   7.560  14.932  -0.843
   60    HD2  PHE   7           HD2      PHE   7   7.508  13.932  -4.910
   61    HE1  PHE   7           HE1      PHE   7   5.368  13.988  -0.569
   62    HE2  PHE   7           HE2      PHE   7   5.317  13.004  -4.678
   63    HZ   PHE   7           HZ       PHE   7   4.233  13.030  -2.458
   64    H    PHE   8           HN       PHE   8   9.183  14.138  -1.213
   65    HA   PHE   8           HA       PHE   8  11.585  12.849  -0.172
   66    HB2  PHE   8           HB2      PHE   8   9.772  14.036   1.884
   67    HB3  PHE   8           HB1      PHE   8  11.538  14.382   1.615
   68    HD1  PHE   8           HD1      PHE   8   8.258  15.495   1.263
   69    HD2  PHE   8           HD2      PHE   8  12.130  15.721  -0.373
   70    HE1  PHE   8           HE1      PHE   8   7.538  17.301  -0.150
   71    HE2  PHE   8           HE2      PHE   8  11.432  17.568  -1.756
   72    HZ   PHE   8           HZ       PHE   8   9.106  18.273  -1.684
   73    H    ARG   9           HN       ARG   9   8.742  12.387  -1.488
   74    HA   ARG   9           HA       ARG   9   7.121  10.900   0.174
   75    HB2  ARG   9           HB2      ARG   9   6.829  11.677  -2.357
   76    HB3  ARG   9           HB1      ARG   9   7.561  10.085  -2.721
   77    HG2  ARG   9           HG2      ARG   9   5.758   8.900  -1.581
   78    HG3  ARG   9           HG1      ARG   9   5.084  10.434  -0.931
   79    HD2  ARG   9           HD2      ARG   9   3.698   9.744  -2.848
   80    HD3  ARG   9           HD1      ARG   9   4.677  11.180  -3.386
   81    HE   ARG   9           HE       ARG   9   6.136   8.753  -3.967
   82   HH11  ARG   9          HH11      ARG   9   3.245  10.606  -4.908
   83   HH12  ARG   9          HH12      ARG   9   3.244  10.066  -6.553
   84   HH21  ARG   9          HH21      ARG   9   6.136   8.013  -6.203
   85   HH22  ARG   9          HH22      ARG   9   4.917   8.565  -7.302
   86    H    ASN  10           HN       ASN  10  10.304  10.185  -0.997
   87    HA   ASN  10           HA       ASN  10  10.134   7.416  -1.181
   88    HB2  ASN  10           HB2      ASN  10  12.428   9.202  -0.153
   89    HB3  ASN  10           HB1      ASN  10  12.598   7.439  -0.451
   90   HD21  ASN  10          HD21      ASN  10  10.525   8.237  -2.921
   91    H    PHE  11           HN       PHE  11  10.338   9.729   1.566
   92    HA   PHE  11           HA       PHE  11  10.150   7.422   3.377
   93    HB2  PHE  11           HB2      PHE  11  11.019  10.324   3.951
   94    HB3  PHE  11           HB1      PHE  11  10.817   9.044   5.208
   95    HD1  PHE  11           HD1      PHE  11  12.914  10.350   2.520
   96    HD2  PHE  11           HD2      PHE  11  12.378   7.184   5.308
   97    HE1  PHE  11           HE1      PHE  11  15.241   9.659   2.187
   98    HE2  PHE  11           HE2      PHE  11  14.707   6.497   4.971
   99    HZ   PHE  11           HZ       PHE  11  16.140   7.732   3.411
  100    H    ILE  12           HN       ILE  12   9.011  10.934   3.095
  101    HA   ILE  12           HA       ILE  12   6.338  10.154   3.344
  102    HB   ILE  12           HB       ILE  12   6.080  11.791   5.414
  103   HG12  ILE  12          HG12      ILE  12   7.932  10.825   7.121
  104   HG13  ILE  12          HG11      ILE  12   8.948  10.805   5.640
  105   HG21  ILE  12          HG21      ILE  12   5.327   9.355   5.068
  106   HG22  ILE  12          HG22      ILE  12   5.641   9.858   6.771
  107   HG23  ILE  12          HG23      ILE  12   6.856   8.863   5.891
  108   HD11  ILE  12          HD11      ILE  12   9.002  12.960   7.127
  109   HD12  ILE  12          HD12      ILE  12   7.362  13.313   6.462
  110   HD13  ILE  12          HD13      ILE  12   8.781  13.188   5.352
  111    H    LEU  13           HN       LEU  13   6.783  13.149   4.806
  112    HA   LEU  13           HA       LEU  13   7.779  14.781   3.006
  113    HB2  LEU  13           HB2      LEU  13   6.563  14.793   1.060
  114    HB3  LEU  13           HB1      LEU  13   5.581  13.444   1.699
  115    HG   LEU  13           HG       LEU  13   4.745  16.126   2.729
  116   HD11  LEU  13          HD11      LEU  13   5.559  16.227   0.091
  117   HD12  LEU  13          HD12      LEU  13   4.221  17.220   0.794
  118   HD13  LEU  13          HD13      LEU  13   3.840  15.698  -0.097
  119   HD21  LEU  13          HD21      LEU  13   3.653  13.692   2.846
  120   HD22  LEU  13          HD22      LEU  13   3.026  14.123   1.206
  121   HD23  LEU  13          HD23      LEU  13   2.611  15.154   2.629
  122    H    GLN  14           HN       GLN  14   5.452  13.762   5.328
  123    HA   GLN  14           HA       GLN  14   4.865  14.773   7.202
  124    HB2  GLN  14           HB2      GLN  14   6.939  16.492   6.524
  125    HB3  GLN  14           HB1      GLN  14   5.529  17.606   6.478
  126    HG2  GLN  14           HG2      GLN  14   5.044  17.314   8.775
  127    HG3  GLN  14           HG1      GLN  14   5.895  15.715   8.849
  128   HE21  GLN  14          HE21      GLN  14   6.446  19.271   8.371
  129   HE22  GLN  14          HE22      GLN  14   8.058  19.286   9.000
  130    H    ARG  15           HN       ARG  15   3.630  17.356   7.528
  131    HA   ARG  15           HA       ARG  15   1.796  18.469   7.054
  132    HB2  ARG  15           HB2      ARG  15   2.097  17.232   4.279
  133    HB3  ARG  15           HB1      ARG  15   0.627  18.163   4.725
  134    HG2  ARG  15           HG2      ARG  15   2.020  19.778   3.706
  135    HG3  ARG  15           HG1      ARG  15   2.249  20.060   5.467
  136    HD2  ARG  15           HD2      ARG  15   4.275  18.169   4.913
  137    HD3  ARG  15           HD1      ARG  15   4.242  19.174   3.403
  138    HE   ARG  15           HE       ARG  15   4.973  20.093   6.135
  139   HH11  ARG  15          HH11      ARG  15   4.013  20.920   2.799
  140   HH12  ARG  15          HH12      ARG  15   4.676  22.520   2.842
  141   HH21  ARG  15          HH21      ARG  15   5.873  22.268   6.186
  142   HH22  ARG  15          HH22      ARG  15   5.750  23.297   4.799
  143    H    LYS  16           HN       LYS  16   1.180  15.469   5.185
  144    HA   LYS  16           HA       LYS  16  -1.268  15.099   6.575
  145    HB2  LYS  16           HB2      LYS  16  -1.397  12.910   5.387
  146    HB3  LYS  16           HB1      LYS  16  -1.041  14.254   4.256
  147    HG2  LYS  16           HG2      LYS  16   1.396  13.641   4.346
  148    HG3  LYS  16           HG1      LYS  16   0.979  12.256   5.412
  149    HD2  LYS  16           HD2      LYS  16  -0.452  11.279   3.652
  150    HD3  LYS  16           HD1      LYS  16  -0.169  12.705   2.592
  151    HE2  LYS  16           HE2      LYS  16   2.263  12.173   2.512
  152    HE3  LYS  16           HE1      LYS  16   1.989  10.740   3.579
  153    HZ1  LYS  16           HZ1      LYS  16   0.434  11.040   1.098
  154    HZ2  LYS  16           HZ2      LYS  16   0.890   9.637   1.938
  155    HZ3  LYS  16           HZ3      LYS  16   2.040  10.492   1.026
  156    H    LYS  17           HN       LYS  17   2.019  14.473   7.215
  157    HA   LYS  17           HA       LYS  17   1.305  12.403   9.166
  158    HB2  LYS  17           HB2      LYS  17   4.112  13.359   8.346
  159    HB3  LYS  17           HB1      LYS  17   3.725  11.946   9.388
  160    HG2  LYS  17           HG2      LYS  17   2.975  12.237   6.415
  161    HG3  LYS  17           HG1      LYS  17   4.358  11.286   7.063
  162    HD2  LYS  17           HD2      LYS  17   2.773   9.831   8.334
  163    HD3  LYS  17           HD1      LYS  17   1.382  10.796   7.731
  164    HE2  LYS  17           HE2      LYS  17   1.916  10.130   5.383
  165    HE3  LYS  17           HE1      LYS  17   3.334   9.165   5.973
  166    HZ1  LYS  17           HZ1      LYS  17   0.740   8.333   5.709
  167    HZ2  LYS  17           HZ2      LYS  17   0.939   8.532   7.384
  168    HZ3  LYS  17           HZ3      LYS  17   1.998   7.528   6.517
  Start of MODEL    4
    1    H1   GLU   1           HT1      GLU   1   3.393  14.537 -15.414
    2    H2   GLU   1           HT2      GLU   1   4.902  14.294 -14.675
    3    H3   GLU   1           HT3      GLU   1   4.815  14.622 -16.340
    4    HA   GLU   1           HA       GLU   1   5.458  16.616 -15.465
    5    HB2  GLU   1           HB2      GLU   1   3.368  16.713 -16.943
    6    HB3  GLU   1           HB1      GLU   1   2.387  16.761 -15.437
    7    HG2  GLU   1           HG2      GLU   1   3.468  18.914 -14.762
    8    HG3  GLU   1           HG1      GLU   1   4.517  18.863 -16.236
    9    H    MET   2           HN       MET   2   6.366  16.219 -13.319
   10    HA   MET   2           HA       MET   2   4.556  17.228 -11.261
   11    HB2  MET   2           HB2      MET   2   6.294  14.722 -11.105
   12    HB3  MET   2           HB1      MET   2   5.908  15.681  -9.635
   13    HG2  MET   2           HG2      MET   2   3.822  14.451 -11.536
   14    HG3  MET   2           HG1      MET   2   4.388  13.699 -10.010
   15    HE1  MET   2           HE1      MET   2   1.387  14.254 -10.846
   16    HE2  MET   2           HE2      MET   2   0.731  14.707  -9.235
   17    HE3  MET   2           HE3      MET   2   1.963  13.405  -9.369
   18    H    ARG   3           HN       ARG   3   5.746  18.024  -9.362
   19    HA   ARG   3           HA       ARG   3   8.237  19.140 -10.283
   20    HB2  ARG   3           HB2      ARG   3   6.493  20.804  -9.694
   21    HB3  ARG   3           HB1      ARG   3   6.346  20.012  -8.086
   22    HG2  ARG   3           HG2      ARG   3   8.575  20.693  -7.432
   23    HG3  ARG   3           HG1      ARG   3   8.979  21.230  -9.101
   24    HD2  ARG   3           HD2      ARG   3   8.494  23.208  -7.676
   25    HD3  ARG   3           HD1      ARG   3   7.165  23.017  -8.904
   26    HE   ARG   3           HE       ARG   3   6.493  21.582  -6.473
   27   HH11  ARG   3          HH11      ARG   3   6.831  24.838  -7.877
   28   HH12  ARG   3          HH12      ARG   3   5.644  25.572  -6.853
   29   HH21  ARG   3          HH21      ARG   3   4.877  22.580  -5.077
   30   HH22  ARG   3          HH22      ARG   3   4.515  24.266  -5.233
   31    H    LEU   4           HN       LEU   4   6.625  17.954  -7.402
   32    HA   LEU   4           HA       LEU   4   8.991  17.616  -5.955
   33    HB2  LEU   4           HB2      LEU   4   6.638  15.777  -5.515
   34    HB3  LEU   4           HB1      LEU   4   7.605  16.678  -4.285
   35    HG   LEU   4           HG       LEU   4   6.445  18.813  -5.299
   36   HD11  LEU   4          HD11      LEU   4   3.911  17.547  -5.833
   37   HD12  LEU   4          HD12      LEU   4   5.125  16.697  -6.861
   38   HD13  LEU   4          HD13      LEU   4   4.938  18.492  -6.980
   39   HD21  LEU   4          HD21      LEU   4   6.076  18.058  -3.000
   40   HD22  LEU   4          HD22      LEU   4   4.983  16.730  -3.554
   41   HD23  LEU   4          HD23      LEU   4   4.472  18.455  -3.729
   42    H    SER   5           HN       SER   5   7.078  15.752  -8.252
   43    HA   SER   5           HA       SER   5   7.388  13.802  -9.226
   44    HB2  SER   5           HB2      SER   5   9.581  14.900  -9.961
   45    HB3  SER   5           HB1      SER   5  10.386  14.072  -8.573
   46    HG   SER   5           HG       SER   5  10.241  13.084 -10.827
   47    H    ORN   6           HN       ORN   6  10.258  12.773  -7.466
   48    HA   ORN   6           HA       ORN   6   8.564  10.850  -6.048
   49    HB2  ORN   6           HB1      ORN   6  11.369  10.853  -7.190
   50    HB3  ORN   6           HB2      ORN   6  10.145   9.547  -7.209
   51    HG2  ORN   6           HG1      ORN   6  11.557  10.303  -4.591
   52    HG3  ORN   6           HG2      ORN   6  12.357   9.261  -5.806
   53    HD2  ORN   6           HD2      ORN   6   9.529   8.458  -5.128
   54    HD3  ORN   6           HD1      ORN   6  11.008   7.443  -5.366
   55    H    PHE   7           HN       PHE   7   9.942  13.848  -5.638
   56    HA   PHE   7           HA       PHE   7  11.341  14.722  -4.089
   57    HB2  PHE   7           HB2      PHE   7   9.616  15.389  -2.230
   58    HB3  PHE   7           HB1      PHE   7   9.348  15.924  -3.890
   59    HD1  PHE   7           HD1      PHE   7   7.737  14.970  -1.105
   60    HD2  PHE   7           HD2      PHE   7   7.962  13.933  -5.208
   61    HE1  PHE   7           HE1      PHE   7   5.442  14.251  -1.070
   62    HE2  PHE   7           HE2      PHE   7   5.679  13.192  -5.143
   63    HZ   PHE   7           HZ       PHE   7   4.407  13.373  -3.051
   64    H    PHE   8           HN       PHE   8   9.492  13.845  -1.439
   65    HA   PHE   8           HA       PHE   8  11.577  12.012  -0.577
   66    HB2  PHE   8           HB2      PHE   8  10.420  13.468   1.705
   67    HB3  PHE   8           HB1      PHE   8  12.152  13.500   1.141
   68    HD1  PHE   8           HD1      PHE   8   8.871  14.894   0.867
   69    HD2  PHE   8           HD2      PHE   8  12.902  15.091  -0.344
   70    HE1  PHE   8           HE1      PHE   8   8.403  16.903  -0.376
   71    HE2  PHE   8           HE2      PHE   8  12.433  17.130  -1.548
   72    HZ   PHE   8           HZ       PHE   8  10.140  17.955  -1.586
   73    H    ARG   9           HN       ARG   9   8.718  12.121  -1.744
   74    HA   ARG   9           HA       ARG   9   6.834  11.348   0.093
   75    HB2  ARG   9           HB2      ARG   9   6.547  11.776  -2.452
   76    HB3  ARG   9           HB1      ARG   9   7.123  10.102  -2.692
   77    HG2  ARG   9           HG2      ARG   9   5.228   9.189  -1.452
   78    HG3  ARG   9           HG1      ARG   9   4.698  10.831  -0.949
   79    HD2  ARG   9           HD2      ARG   9   3.255  10.116  -2.811
   80    HD3  ARG   9           HD1      ARG   9   4.384  11.385  -3.470
   81    HE   ARG   9           HE       ARG   9   5.591   8.784  -3.803
   82   HH11  ARG   9          HH11      ARG   9   2.887  10.804  -4.943
   83   HH12  ARG   9          HH12      ARG   9   2.829  10.105  -6.526
   84   HH21  ARG   9          HH21      ARG   9   5.514   7.833  -5.955
   85   HH22  ARG   9          HH22      ARG   9   4.350   8.386  -7.111
   86    H    ASN  10           HN       ASN  10   9.498   9.494  -1.392
   87    HA   ASN  10           HA       ASN  10   8.552   6.956  -0.706
   88    HB2  ASN  10           HB2      ASN  10  11.437   8.002  -0.975
   89    HB3  ASN  10           HB1      ASN  10  10.987   6.258  -0.862
   90   HD21  ASN  10          HD21      ASN  10  11.312   9.039  -2.951
   91    H    PHE  11           HN       PHE  11   9.870   9.617   1.186
   92    HA   PHE  11           HA       PHE  11  10.181   7.784   3.455
   93    HB2  PHE  11           HB2      PHE  11  11.118  10.707   3.113
   94    HB3  PHE  11           HB1      PHE  11  11.318   9.726   4.616
   95    HD1  PHE  11           HD1      PHE  11  12.546  10.409   1.257
   96    HD2  PHE  11           HD2      PHE  11  12.872   7.841   4.630
   97    HE1  PHE  11           HE1      PHE  11  14.702   9.591   0.429
   98    HE2  PHE  11           HE2      PHE  11  15.029   7.027   3.797
   99    HZ   PHE  11           HZ       PHE  11  15.946   7.900   1.697
  100    H    ILE  12           HN       ILE  12   9.230  11.329   3.108
  101    HA   ILE  12           HA       ILE  12   6.609  10.764   3.874
  102    HB   ILE  12           HB       ILE  12   6.527  12.216   5.794
  103   HG12  ILE  12          HG12      ILE  12   9.023  12.519   6.879
  104   HG13  ILE  12          HG11      ILE  12   9.416  12.618   5.127
  105   HG21  ILE  12          HG21      ILE  12   7.415  10.695   7.491
  106   HG22  ILE  12          HG22      ILE  12   8.572   9.977   6.308
  107   HG23  ILE  12          HG23      ILE  12   6.795   9.722   6.105
  108   HD11  ILE  12          HD11      ILE  12   8.515  14.714   4.947
  109   HD12  ILE  12          HD12      ILE  12   8.411  14.732   6.750
  110   HD13  ILE  12          HD13      ILE  12   6.983  14.214   5.769
  111    H    LEU  13           HN       LEU  13   5.366  12.493   3.855
  112    HA   LEU  13           HA       LEU  13   6.068  15.028   3.519
  113    HB2  LEU  13           HB2      LEU  13   6.939  13.879   1.196
  114    HB3  LEU  13           HB1      LEU  13   5.233  14.288   0.765
  115    HG   LEU  13           HG       LEU  13   6.890  16.137   0.304
  116   HD11  LEU  13          HD11      LEU  13   5.464  17.936   1.088
  117   HD12  LEU  13          HD12      LEU  13   4.846  16.930   2.456
  118   HD13  LEU  13          HD13      LEU  13   4.397  16.517   0.757
  119   HD21  LEU  13          HD21      LEU  13   7.891  15.435   2.853
  120   HD22  LEU  13          HD22      LEU  13   7.049  17.007   3.148
  121   HD23  LEU  13          HD23      LEU  13   8.351  16.907   1.902
  122    H    GLN  14           HN       GLN  14   4.443  14.034   5.038
  123    HA   GLN  14           HA       GLN  14   1.857  14.564   3.801
  124    HB2  GLN  14           HB2      GLN  14   2.531  12.482   5.945
  125    HB3  GLN  14           HB1      GLN  14   0.855  13.073   5.641
  126    HG2  GLN  14           HG2      GLN  14   1.050  12.357   3.243
  127    HG3  GLN  14           HG1      GLN  14   2.692  11.670   3.600
  128   HE21  GLN  14          HE21      GLN  14   2.352   9.459   3.495
  129   HE22  GLN  14          HE22      GLN  14   1.194   8.593   4.446
  130    H    ARG  15           HN       ARG  15   0.299  15.480   5.389
  131    HA   ARG  15           HA       ARG  15   1.854  17.356   6.958
  132    HB2  ARG  15           HB2      ARG  15  -0.943  17.317   5.791
  133    HB3  ARG  15           HB1      ARG  15  -0.597  18.389   7.195
  134    HG2  ARG  15           HG2      ARG  15  -0.331  19.490   4.906
  135    HG3  ARG  15           HG1      ARG  15   1.090  19.621   5.993
  136    HD2  ARG  15           HD2      ARG  15   1.777  19.095   3.614
  137    HD3  ARG  15           HD1      ARG  15   2.241  17.738   4.729
  138    HE   ARG  15           HE       ARG  15   0.639  16.353   3.637
  139   HH11  ARG  15          HH11      ARG  15   0.217  19.783   2.730
  140   HH12  ARG  15          HH12      ARG  15  -0.898  19.463   1.444
  141   HH21  ARG  15          HH21      ARG  15  -0.874  15.930   1.884
  142   HH22  ARG  15          HH22      ARG  15  -1.528  17.238   0.957
  143    H    LYS  16           HN       LYS  16   0.865  14.348   7.579
  144    HA   LYS  16           HA       LYS  16  -0.521  14.919  10.036
  145    HB2  LYS  16           HB2      LYS  16   0.029  12.374  10.453
  146    HB3  LYS  16           HB1      LYS  16  -1.221  12.796   9.236
  147    HG2  LYS  16           HG2      LYS  16   0.124  12.196   7.425
  148    HG3  LYS  16           HG1      LYS  16   1.658  12.531   8.303
  149    HD2  LYS  16           HD2      LYS  16  -0.201  10.228   9.105
  150    HD3  LYS  16           HD1      LYS  16   1.035  10.048   7.810
  151    HE2  LYS  16           HE2      LYS  16   2.811  10.805   9.479
  152    HE3  LYS  16           HE1      LYS  16   1.537  10.789  10.767
  153    HZ1  LYS  16           HZ1      LYS  16   1.600   8.383   9.204
  154    HZ2  LYS  16           HZ2      LYS  16   1.634   8.608  10.886
  155    HZ3  LYS  16           HZ3      LYS  16   3.072   8.696   9.988
  156    H    LYS  17           HN       LYS  17   2.645  14.775   8.758
  157    HA   LYS  17           HA       LYS  17   4.057  13.931  11.006
  158    HB2  LYS  17           HB2      LYS  17   4.607  15.093   8.357
  159    HB3  LYS  17           HB1      LYS  17   5.610  15.908   9.609
  160    HG2  LYS  17           HG2      LYS  17   6.820  14.012   8.650
  161    HG3  LYS  17           HG1      LYS  17   6.461  13.709  10.381
  162    HD2  LYS  17           HD2      LYS  17   6.125  11.692   8.913
  163    HD3  LYS  17           HD1      LYS  17   4.651  12.173   9.817
  164    HE2  LYS  17           HE2      LYS  17   3.593  13.071   7.836
  165    HE3  LYS  17           HE1      LYS  17   5.152  13.071   6.900
  166    HZ1  LYS  17           HZ1      LYS  17   5.139  10.622   7.170
  167    HZ2  LYS  17           HZ2      LYS  17   3.845  11.228   6.252
  168    HZ3  LYS  17           HZ3      LYS  17   3.587  10.722   7.852
  Start of MODEL    5
    1    H1   GLU   1           HT1      GLU   1   8.500  21.857 -12.711
    2    H2   GLU   1           HT2      GLU   1   7.506  22.551 -11.521
    3    H3   GLU   1           HT3      GLU   1   7.540  23.207 -13.088
    4    HA   GLU   1           HA       GLU   1   5.580  21.776 -12.452
    5    HB2  GLU   1           HB2      GLU   1   6.105  22.493 -14.796
    6    HB3  GLU   1           HB1      GLU   1   7.267  21.130 -14.943
    7    HG2  GLU   1           HG2      GLU   1   5.157  20.540 -16.093
    8    HG3  GLU   1           HG1      GLU   1   5.343  19.491 -14.634
    9    H    MET   2           HN       MET   2   5.326  20.073 -11.019
   10    HA   MET   2           HA       MET   2   6.439  17.557 -11.830
   11    HB2  MET   2           HB2      MET   2   7.263  17.081  -9.427
   12    HB3  MET   2           HB1      MET   2   8.362  18.095 -10.449
   13    HG2  MET   2           HG2      MET   2   7.430  20.161  -9.384
   14    HG3  MET   2           HG1      MET   2   6.329  19.155  -8.390
   15    HE1  MET   2           HE1      MET   2   8.027  21.339  -7.220
   16    HE2  MET   2           HE2      MET   2   8.733  20.579  -5.753
   17    HE3  MET   2           HE3      MET   2   7.034  20.224  -6.219
   18    H    ARG   3           HN       ARG   3   5.756  15.829 -10.362
   19    HA   ARG   3           HA       ARG   3   3.254  16.577  -9.161
   20    HB2  ARG   3           HB2      ARG   3   2.331  14.456  -9.749
   21    HB3  ARG   3           HB1      ARG   3   3.148  15.100 -11.220
   22    HG2  ARG   3           HG2      ARG   3   5.248  13.784 -10.149
   23    HG3  ARG   3           HG1      ARG   3   3.924  12.795  -9.436
   24    HD2  ARG   3           HD2      ARG   3   3.995  13.507 -12.422
   25    HD3  ARG   3           HD1      ARG   3   4.816  12.023 -11.760
   26    HE   ARG   3           HE       ARG   3   2.131  12.071 -10.757
   27   HH11  ARG   3          HH11      ARG   3   3.921  11.813 -13.825
   28   HH12  ARG   3          HH12      ARG   3   2.734  10.830 -14.614
   29   HH21  ARG   3          HH21      ARG   3   0.516  10.732 -11.827
   30   HH22  ARG   3          HH22      ARG   3   0.763  10.205 -13.458
   31    H    LEU   4           HN       LEU   4   6.144  16.445  -8.435
   32    HA   LEU   4           HA       LEU   4   7.134  16.306  -6.448
   33    HB2  LEU   4           HB2      LEU   4   5.060  14.315  -5.448
   34    HB3  LEU   4           HB1      LEU   4   6.224  15.288  -4.472
   35    HG   LEU   4           HG       LEU   4   3.788  16.348  -5.994
   36   HD11  LEU   4          HD11      LEU   4   3.717  15.031  -3.629
   37   HD12  LEU   4          HD12      LEU   4   2.662  16.458  -3.975
   38   HD13  LEU   4          HD13      LEU   4   4.169  16.665  -3.004
   39   HD21  LEU   4          HD21      LEU   4   4.373  18.571  -4.953
   40   HD22  LEU   4          HD22      LEU   4   5.608  18.004  -6.146
   41   HD23  LEU   4          HD23      LEU   4   5.931  17.864  -4.373
   42    H    SER   5           HN       SER   5   5.660  13.612  -8.094
   43    HA   SER   5           HA       SER   5   6.413  11.664  -8.719
   44    HB2  SER   5           HB2      SER   5   8.345  13.022  -9.715
   45    HB3  SER   5           HB1      SER   5   9.279  12.673  -8.210
   46    HG   SER   5           HG       SER   5   8.800  11.132 -10.384
   47    H    ORN   6           HN       ORN   6   9.423  11.268  -7.098
   48    HA   ORN   6           HA       ORN   6   8.010   9.830  -4.961
   49    HB2  ORN   6           HB1      ORN   6  10.976   9.481  -5.611
   50    HB3  ORN   6           HB2      ORN   6   9.743   8.621  -6.597
   51    HG2  ORN   6           HG1      ORN   6   9.269   7.119  -4.932
   52    HG3  ORN   6           HG2      ORN   6   9.320   8.367  -3.642
   53    HD2  ORN   6           HD2      ORN   6  11.309   6.359  -4.246
   54    HD3  ORN   6           HD1      ORN   6  12.040   7.952  -4.686
   55    H    PHE   7           HN       PHE   7   8.531  12.749  -5.204
   56    HA   PHE   7           HA       PHE   7  10.258  14.164  -4.309
   57    HB2  PHE   7           HB2      PHE   7   8.617  15.030  -2.425
   58    HB3  PHE   7           HB1      PHE   7   8.117  15.103  -4.125
   59    HD1  PHE   7           HD1      PHE   7   7.135  14.372  -0.943
   60    HD2  PHE   7           HD2      PHE   7   6.818  12.875  -4.869
   61    HE1  PHE   7           HE1      PHE   7   5.048  13.334  -0.368
   62    HE2  PHE   7           HE2      PHE   7   4.702  11.845  -4.296
   63    HZ   PHE   7           HZ       PHE   7   3.828  12.097  -2.017
   64    H    PHE   8           HN       PHE   8   8.738  13.624  -1.309
   65    HA   PHE   8           HA       PHE   8  11.203  12.473  -0.272
   66    HB2  PHE   8           HB2      PHE   8   9.773  14.084   1.751
   67    HB3  PHE   8           HB1      PHE   8  11.465  14.336   1.129
   68    HD1  PHE   8           HD1      PHE   8   8.043  15.218   0.896
   69    HD2  PHE   8           HD2      PHE   8  11.834  15.543  -0.881
   70    HE1  PHE   8           HE1      PHE   8   7.137  16.764  -0.679
   71    HE2  PHE   8           HE2      PHE   8  10.946  17.162  -2.436
   72    HZ   PHE   8           HZ       PHE   8   8.571  17.695  -2.342
   73    H    ARG   9           HN       ARG   9   8.380  11.785  -1.262
   74    HA   ARG   9           HA       ARG   9   6.749  10.919   0.773
   75    HB2  ARG   9           HB2      ARG   9   6.309  10.941  -1.793
   76    HB3  ARG   9           HB1      ARG   9   7.186   9.387  -1.841
   77    HG2  ARG   9           HG2      ARG   9   5.545   8.291  -0.451
   78    HG3  ARG   9           HG1      ARG   9   4.767   9.850  -0.012
   79    HD2  ARG   9           HD2      ARG   9   3.353   8.726  -1.695
   80    HD3  ARG   9           HD1      ARG   9   4.152  10.144  -2.510
   81    HE   ARG   9           HE       ARG   9   5.821   7.812  -2.824
   82   HH11  ARG   9          HH11      ARG   9   2.684   9.183  -3.801
   83   HH12  ARG   9          HH12      ARG   9   2.642   8.395  -5.342
   84   HH21  ARG   9          HH21      ARG   9   5.769   6.739  -4.922
   85   HH22  ARG   9          HH22      ARG   9   4.427   6.981  -5.990
   86    H    ASN  10           HN       ASN  10   9.676   9.410  -0.657
   87    HA   ASN  10           HA       ASN  10   9.237   6.866   0.386
   88    HB2  ASN  10           HB2      ASN  10  11.843   8.373  -0.227
   89    HB3  ASN  10           HB1      ASN  10  11.807   6.649   0.303
   90   HD21  ASN  10          HD21      ASN  10  11.918   8.667  -2.414
   91    H    PHE  11           HN       PHE  11  10.133   9.925   1.916
   92    HA   PHE  11           HA       PHE  11  10.926   8.465   4.312
   93    HB2  PHE  11           HB2      PHE  11  10.799  11.498   3.749
   94    HB3  PHE  11           HB1      PHE  11  11.344  10.759   5.303
   95    HD1  PHE  11           HD1      PHE  11  12.213  11.545   1.853
   96    HD2  PHE  11           HD2      PHE  11  13.453   9.540   5.391
   97    HE1  PHE  11           HE1      PHE  11  14.506  11.444   0.994
   98    HE2  PHE  11           HE2      PHE  11  15.744   9.442   4.528
   99    HZ   PHE  11           HZ       PHE  11  16.274  10.394   2.330
  100    H    ILE  12           HN       ILE  12   8.735  11.311   3.544
  101    HA   ILE  12           HA       ILE  12   6.433  10.034   4.371
  102    HB   ILE  12           HB       ILE  12   6.180  11.856   6.363
  103   HG12  ILE  12          HG12      ILE  12   8.121  11.510   7.941
  104   HG13  ILE  12          HG11      ILE  12   9.066  10.810   6.587
  105   HG21  ILE  12          HG21      ILE  12   5.754   9.223   6.110
  106   HG22  ILE  12          HG22      ILE  12   5.832   9.992   7.740
  107   HG23  ILE  12          HG23      ILE  12   7.260   9.101   7.094
  108   HD11  ILE  12          HD11      ILE  12   9.326  13.398   7.205
  109   HD12  ILE  12          HD12      ILE  12   7.802  13.585   6.264
  110   HD13  ILE  12          HD13      ILE  12   9.271  12.903   5.472
  111    H    LEU  13           HN       LEU  13   8.378  12.871   3.818
  112    HA   LEU  13           HA       LEU  13   7.972  14.624   2.632
  113    HB2  LEU  13           HB2      LEU  13   6.489  14.294   0.938
  114    HB3  LEU  13           HB1      LEU  13   5.687  13.001   1.883
  115    HG   LEU  13           HG       LEU  13   4.985  15.790   2.710
  116   HD11  LEU  13          HD11      LEU  13   3.669  14.869   0.143
  117   HD12  LEU  13          HD12      LEU  13   5.285  15.676   0.040
  118   HD13  LEU  13          HD13      LEU  13   3.891  16.530   0.807
  119   HD21  LEU  13          HD21      LEU  13   3.804  14.015   3.753
  120   HD22  LEU  13          HD22      LEU  13   3.596  13.115   2.206
  121   HD23  LEU  13          HD23      LEU  13   2.650  14.629   2.500
  122    H    GLN  14           HN       GLN  14   5.720  13.720   5.219
  123    HA   GLN  14           HA       GLN  14   5.251  14.688   7.097
  124    HB2  GLN  14           HB2      GLN  14   6.779  15.998   8.152
  125    HB3  GLN  14           HB1      GLN  14   7.760  15.689   6.682
  126    HG2  GLN  14           HG2      GLN  14   6.673  17.817   5.682
  127    HG3  GLN  14           HG1      GLN  14   6.083  18.171   7.351
  128   HE21  GLN  14          HE21      GLN  14   8.269  19.423   5.510
  129   HE22  GLN  14          HE22      GLN  14   9.668  19.505   6.524
  130    H    ARG  15           HN       ARG  15   4.608  16.251   4.093
  131    HA   ARG  15           HA       ARG  15   3.224  18.436   5.256
  132    HB2  ARG  15           HB2      ARG  15   2.763  17.200   2.489
  133    HB3  ARG  15           HB1      ARG  15   2.210  18.821   3.031
  134    HG2  ARG  15           HG2      ARG  15   4.972  17.888   2.199
  135    HG3  ARG  15           HG1      ARG  15   4.102  19.410   1.815
  136    HD2  ARG  15           HD2      ARG  15   4.469  20.077   4.322
  137    HD3  ARG  15           HD1      ARG  15   5.623  18.671   4.392
  138    HE   ARG  15           HE       ARG  15   7.085  19.818   2.878
  139   HH11  ARG  15          HH11      ARG  15   4.051  21.604   3.473
  140   HH12  ARG  15          HH12      ARG  15   4.607  23.082   2.763
  141   HH21  ARG  15          HH21      ARG  15   7.830  21.828   1.915
  142   HH22  ARG  15          HH22      ARG  15   6.789  23.211   1.861
  143    H    LYS  16           HN       LYS  16   2.448  15.135   4.273
  144    HA   LYS  16           HA       LYS  16  -0.344  15.546   4.851
  145    HB2  LYS  16           HB2      LYS  16   0.184  14.081   2.956
  146    HB3  LYS  16           HB1      LYS  16   1.316  13.131   3.971
  147    HG2  LYS  16           HG2      LYS  16  -0.483  12.132   5.232
  148    HG3  LYS  16           HG1      LYS  16  -1.692  13.294   4.575
  149    HD2  LYS  16           HD2      LYS  16  -1.930  11.115   3.451
  150    HD3  LYS  16           HD1      LYS  16  -1.346  12.345   2.279
  151    HE2  LYS  16           HE2      LYS  16  -0.033  10.336   1.880
  152    HE3  LYS  16           HE1      LYS  16   1.063  11.476   2.772
  153    HZ1  LYS  16           HZ1      LYS  16   1.200  10.065   4.427
  154    HZ2  LYS  16           HZ2      LYS  16   0.422   8.909   3.456
  155    HZ3  LYS  16           HZ3      LYS  16  -0.480   9.854   4.541
  156    H    LYS  17           HN       LYS  17   2.593  14.679   6.437
  157    HA   LYS  17           HA       LYS  17   1.136  13.230   8.509
  158    HB2  LYS  17           HB2      LYS  17   4.148  13.819   8.291
  159    HB3  LYS  17           HB1      LYS  17   3.367  12.747   9.504
  160    HG2  LYS  17           HG2      LYS  17   3.390  12.288   6.457
  161    HG3  LYS  17           HG1      LYS  17   4.472  11.483   7.648
  162    HD2  LYS  17           HD2      LYS  17   2.468  10.490   8.787
  163    HD3  LYS  17           HD1      LYS  17   1.391  11.293   7.594
  164    HE2  LYS  17           HE2      LYS  17   2.454   9.978   5.737
  165    HE3  LYS  17           HE1      LYS  17   3.543   9.167   6.942
  166    HZ1  LYS  17           HZ1      LYS  17   0.618   9.134   7.317
  167    HZ2  LYS  17           HZ2      LYS  17   1.801   8.040   7.853
  168    HZ3  LYS  17           HZ3      LYS  17   1.352   8.068   6.216
  Start of MODEL    6
    1    H1   GLU   1           HT1      GLU   1   7.268  16.304 -15.288
    2    H2   GLU   1           HT2      GLU   1   6.795  17.779 -14.590
    3    H3   GLU   1           HT3      GLU   1   6.527  17.497 -16.244
    4    HA   GLU   1           HA       GLU   1   4.490  16.980 -15.608
    5    HB2  GLU   1           HB2      GLU   1   5.619  14.794 -16.299
    6    HB3  GLU   1           HB1      GLU   1   5.897  14.458 -14.554
    7    HG2  GLU   1           HG2      GLU   1   3.424  14.448 -14.136
    8    HG3  GLU   1           HG1      GLU   1   3.122  14.828 -15.879
    9    H    MET   2           HN       MET   2   6.806  16.343 -12.915
   10    HA   MET   2           HA       MET   2   4.677  17.244 -11.116
   11    HB2  MET   2           HB2      MET   2   6.646  14.951 -10.611
   12    HB3  MET   2           HB1      MET   2   5.658  15.738  -9.333
   13    HG2  MET   2           HG2      MET   2   3.571  15.017 -10.447
   14    HG3  MET   2           HG1      MET   2   4.501  14.318 -11.808
   15    HE1  MET   2           HE1      MET   2   3.852  12.845  -7.512
   16    HE2  MET   2           HE2      MET   2   3.484  14.428  -8.278
   17    HE3  MET   2           HE3      MET   2   5.154  14.068  -7.718
   18    H    ARG   3           HN       ARG   3   5.497  18.162  -9.125
   19    HA   ARG   3           HA       ARG   3   8.012  19.433  -9.671
   20    HB2  ARG   3           HB2      ARG   3   6.090  20.924  -9.233
   21    HB3  ARG   3           HB1      ARG   3   5.838  20.063  -7.674
   22    HG2  ARG   3           HG2      ARG   3   7.933  20.870  -6.771
   23    HG3  ARG   3           HG1      ARG   3   8.458  21.509  -8.369
   24    HD2  ARG   3           HD2      ARG   3   5.959  22.531  -6.881
   25    HD3  ARG   3           HD1      ARG   3   7.604  23.292  -6.742
   26    HE   ARG   3           HE       ARG   3   6.989  23.023  -9.526
   27   HH11  ARG   3          HH11      ARG   3   5.870  24.720  -6.601
   28   HH12  ARG   3          HH12      ARG   3   5.267  26.105  -7.447
   29   HH21  ARG   3          HH21      ARG   3   6.174  24.907 -10.678
   30   HH22  ARG   3          HH22      ARG   3   5.443  26.213  -9.807
   31    H    LEU   4           HN       LEU   4   6.213  17.973  -7.036
   32    HA   LEU   4           HA       LEU   4   8.447  17.792  -5.358
   33    HB2  LEU   4           HB2      LEU   4   6.200  15.773  -5.221
   34    HB3  LEU   4           HB1      LEU   4   7.022  16.632  -3.861
   35    HG   LEU   4           HG       LEU   4   5.819  18.773  -4.779
   36   HD11  LEU   4          HD11      LEU   4   4.727  16.727  -6.620
   37   HD12  LEU   4          HD12      LEU   4   4.533  18.525  -6.650
   38   HD13  LEU   4          HD13      LEU   4   3.410  17.510  -5.667
   39   HD21  LEU   4          HD21      LEU   4   5.253  17.854  -2.613
   40   HD22  LEU   4          HD22      LEU   4   4.391  16.445  -3.348
   41   HD23  LEU   4          HD23      LEU   4   3.692  18.108  -3.483
   42    H    SER   5           HN       SER   5   6.972  15.877  -7.920
   43    HA   SER   5           HA       SER   5   7.575  14.002  -8.913
   44    HB2  SER   5           HB2      SER   5   9.793  15.267  -9.250
   45    HB3  SER   5           HB1      SER   5  10.416  14.405  -7.791
   46    HG   SER   5           HG       SER   5  10.596  13.557 -10.149
   47    H    ORN   6           HN       ORN   6  10.219  12.863  -6.965
   48    HA   ORN   6           HA       ORN   6   8.304  11.115  -5.582
   49    HB2  ORN   6           HB1      ORN   6  11.307  10.600  -5.649
   50    HB3  ORN   6           HB2      ORN   6  10.328  10.207  -7.105
   51    HG2  ORN   6           HG1      ORN   6   9.218   8.450  -6.069
   52    HG3  ORN   6           HG2      ORN   6   9.270   9.215  -4.446
   53    HD2  ORN   6           HD2      ORN   6  10.915   7.088  -5.371
   54    HD3  ORN   6           HD1      ORN   6  12.001   8.533  -5.428
   55    H    PHE   7           HN       PHE   7   9.360  13.988  -5.052
   56    HA   PHE   7           HA       PHE   7  10.829  14.935  -3.530
   57    HB2  PHE   7           HB2      PHE   7   8.988  15.404  -1.664
   58    HB3  PHE   7           HB1      PHE   7   8.786  16.026  -3.307
   59    HD1  PHE   7           HD1      PHE   7   7.094  14.790  -0.689
   60    HD2  PHE   7           HD2      PHE   7   7.570  14.054  -4.829
   61    HE1  PHE   7           HE1      PHE   7   4.841  13.954  -0.817
   62    HE2  PHE   7           HE2      PHE   7   5.319  13.206  -4.936
   63    HZ   PHE   7           HZ       PHE   7   3.952  13.166  -2.904
   64    H    PHE   8           HN       PHE   8   8.935  13.806  -0.953
   65    HA   PHE   8           HA       PHE   8  11.158  12.151  -0.074
   66    HB2  PHE   8           HB2      PHE   8   9.806  13.362   2.229
   67    HB3  PHE   8           HB1      PHE   8  11.533  13.617   1.713
   68    HD1  PHE   8           HD1      PHE   8   8.119  14.679   1.415
   69    HD2  PHE   8           HD2      PHE   8  12.138  15.345   0.335
   70    HE1  PHE   8           HE1      PHE   8   7.471  16.680   0.241
   71    HE2  PHE   8           HE2      PHE   8  11.491  17.378  -0.790
   72    HZ   PHE   8           HZ       PHE   8   9.134  17.965  -0.867
   73    H    ARG   9           HN       ARG   9   8.276  12.098  -1.311
   74    HA   ARG   9           HA       ARG   9   6.510  11.013   0.502
   75    HB2  ARG   9           HB2      ARG   9   6.086  11.669  -1.972
   76    HB3  ARG   9           HB1      ARG   9   6.785  10.079  -2.402
   77    HG2  ARG   9           HG2      ARG   9   5.030   8.897  -1.171
   78    HG3  ARG   9           HG1      ARG   9   4.380  10.444  -0.523
   79    HD2  ARG   9           HD2      ARG   9   3.794  11.181  -2.870
   80    HD3  ARG   9           HD1      ARG   9   4.406   9.590  -3.505
   81    HE   ARG   9           HE       ARG   9   1.893  10.046  -1.993
   82   HH11  ARG   9          HH11      ARG   9   4.381   7.742  -3.100
   83   HH12  ARG   9          HH12      ARG   9   3.352   6.353  -3.009
   84   HH21  ARG   9          HH21      ARG   9   0.501   8.155  -1.867
   85   HH22  ARG   9          HH22      ARG   9   1.110   6.593  -2.295
   86    H    ASN  10           HN       ASN  10   9.290   9.559  -1.207
   87    HA   ASN  10           HA       ASN  10   8.592   6.895  -0.729
   88    HB2  ASN  10           HB2      ASN  10  11.347   8.243  -0.980
   89    HB3  ASN  10           HB1      ASN  10  11.120   6.458  -0.879
   90   HD21  ASN  10          HD21      ASN  10  11.917   8.699  -3.068
   91    H    PHE  11           HN       PHE  11   9.721   9.494   1.372
   92    HA   PHE  11           HA       PHE  11  10.191   7.502   3.473
   93    HB2  PHE  11           HB2      PHE  11  10.995  10.479   3.360
   94    HB3  PHE  11           HB1      PHE  11  11.289   9.375   4.759
   95    HD1  PHE  11           HD1      PHE  11  12.395  10.449   1.471
   96    HD2  PHE  11           HD2      PHE  11  12.890   7.527   4.520
   97    HE1  PHE  11           HE1      PHE  11  14.551   9.799   0.504
   98    HE2  PHE  11           HE2      PHE  11  15.045   6.883   3.550
   99    HZ   PHE  11           HZ       PHE  11  15.877   8.017   1.541
  100    H    ILE  12           HN       ILE  12   9.040  11.006   3.373
  101    HA   ILE  12           HA       ILE  12   6.496  10.205   4.257
  102    HB   ILE  12           HB       ILE  12   7.740  12.237   6.072
  103   HG12  ILE  12          HG12      ILE  12   7.848  10.255   7.800
  104   HG13  ILE  12          HG11      ILE  12   8.068   9.230   6.344
  105   HG21  ILE  12          HG21      ILE  12   5.345  12.166   6.160
  106   HG22  ILE  12          HG22      ILE  12   5.830  11.141   7.563
  107   HG23  ILE  12          HG23      ILE  12   5.291  10.366   6.027
  108   HD11  ILE  12          HD11      ILE  12   9.896  11.251   5.801
  109   HD12  ILE  12          HD12      ILE  12  10.315   9.722   6.672
  110   HD13  ILE  12          HD13      ILE  12   9.951  11.222   7.608
  111    H    LEU  13           HN       LEU  13   5.109  11.437   3.816
  112    HA   LEU  13           HA       LEU  13   5.280  14.137   3.759
  113    HB2  LEU  13           HB2      LEU  13   6.593  13.439   1.539
  114    HB3  LEU  13           HB1      LEU  13   4.903  13.262   0.920
  115    HG   LEU  13           HG       LEU  13   5.809  15.584   0.578
  116   HD11  LEU  13          HD11      LEU  13   3.836  16.801   1.370
  117   HD12  LEU  13          HD12      LEU  13   3.522  15.578   2.662
  118   HD13  LEU  13          HD13      LEU  13   3.309  15.134   0.927
  119   HD21  LEU  13          HD21      LEU  13   6.899  15.193   3.163
  120   HD22  LEU  13          HD22      LEU  13   5.592  16.413   3.425
  121   HD23  LEU  13          HD23      LEU  13   6.898  16.741   2.226
  122    H    GLN  14           HN       GLN  14   3.759  12.918   5.109
  123    HA   GLN  14           HA       GLN  14   1.371  12.264   3.631
  124    HB2  GLN  14           HB2      GLN  14   2.412  11.620   6.351
  125    HB3  GLN  14           HB1      GLN  14   0.699  12.157   6.378
  126    HG2  GLN  14           HG2      GLN  14   0.011  10.427   4.829
  127    HG3  GLN  14           HG1      GLN  14   1.728   9.949   4.503
  128   HE21  GLN  14          HE21      GLN  14   0.274   7.876   5.321
  129   HE22  GLN  14          HE22      GLN  14   0.519   7.491   6.990
  130    H    ARG  15           HN       ARG  15   0.904  13.726   6.777
  131    HA   ARG  15           HA       ARG  15   0.250  16.198   5.363
  132    HB2  ARG  15           HB2      ARG  15  -1.369  14.622   7.418
  133    HB3  ARG  15           HB1      ARG  15  -1.645  16.382   7.162
  134    HG2  ARG  15           HG2      ARG  15  -3.234  14.891   5.868
  135    HG3  ARG  15           HG1      ARG  15  -2.305  16.041   4.846
  136    HD2  ARG  15           HD2      ARG  15  -1.039  14.321   3.806
  137    HD3  ARG  15           HD1      ARG  15  -1.158  13.216   5.247
  138    HE   ARG  15           HE       ARG  15  -3.206  12.400   4.400
  139   HH11  ARG  15          HH11      ARG  15  -2.256  15.405   2.731
  140   HH12  ARG  15          HH12      ARG  15  -3.480  15.296   1.511
  141   HH21  ARG  15          HH21      ARG  15  -4.868  12.254   2.739
  142   HH22  ARG  15          HH22      ARG  15  -4.989  13.473   1.516
  143    H    LYS  16           HN       LYS  16   1.516  14.539   8.192
  144    HA   LYS  16           HA       LYS  16   1.735  16.835   9.799
  145    HB2  LYS  16           HB2      LYS  16   1.967  14.427  10.639
  146    HB3  LYS  16           HB1      LYS  16   3.534  14.355   9.759
  147    HG2  LYS  16           HG2      LYS  16   4.516  16.063  11.183
  148    HG3  LYS  16           HG1      LYS  16   2.927  16.430  11.946
  149    HD2  LYS  16           HD2      LYS  16   4.319  15.025  13.440
  150    HD3  LYS  16           HD1      LYS  16   2.844  14.137  12.916
  151    HE2  LYS  16           HE2      LYS  16   4.175  12.902  11.192
  152    HE3  LYS  16           HE1      LYS  16   5.665  13.814  11.683
  153    HZ1  LYS  16           HZ1      LYS  16   4.623  11.488  12.780
  154    HZ2  LYS  16           HZ2      LYS  16   4.432  12.697  13.958
  155    HZ3  LYS  16           HZ3      LYS  16   5.966  12.390  13.297
  156    H    LYS  17           HN       LYS  17   3.644  15.256   7.300
  157    HA   LYS  17           HA       LYS  17   5.802  17.153   7.687
  158    HB2  LYS  17           HB2      LYS  17   5.402  14.660   5.959
  159    HB3  LYS  17           HB1      LYS  17   6.716  15.827   5.576
  160    HG2  LYS  17           HG2      LYS  17   6.435  14.717   8.410
  161    HG3  LYS  17           HG1      LYS  17   7.202  13.721   7.129
  162    HD2  LYS  17           HD2      LYS  17   9.042  14.820   8.096
  163    HD3  LYS  17           HD1      LYS  17   8.684  15.854   6.670
  164    HE2  LYS  17           HE2      LYS  17   7.864  17.622   7.975
  165    HE3  LYS  17           HE1      LYS  17   7.320  16.527   9.318
  166    HZ1  LYS  17           HZ1      LYS  17   9.355  17.976   9.669
  167    HZ2  LYS  17           HZ2      LYS  17  10.188  16.895   8.658
  168    HZ3  LYS  17           HZ3      LYS  17   9.475  16.337  10.095
  Start of MODEL    7
    1    H1   GLU   1           HT1      GLU   1   5.953  18.133 -15.081
    2    H2   GLU   1           HT2      GLU   1   5.293  18.078 -16.646
    3    H3   GLU   1           HT3      GLU   1   6.353  16.856 -16.129
    4    HA   GLU   1           HA       GLU   1   3.541  17.176 -15.696
    5    HB2  GLU   1           HB2      GLU   1   4.646  15.248 -16.903
    6    HB3  GLU   1           HB1      GLU   1   5.464  14.799 -15.364
    7    HG2  GLU   1           HG2      GLU   1   3.244  14.360 -14.284
    8    HG3  GLU   1           HG1      GLU   1   2.399  14.848 -15.806
    9    H    MET   2           HN       MET   2   6.465  16.511 -13.677
   10    HA   MET   2           HA       MET   2   4.750  17.003 -11.358
   11    HB2  MET   2           HB2      MET   2   6.878  14.812 -11.621
   12    HB3  MET   2           HB1      MET   2   6.222  15.386 -10.049
   13    HG2  MET   2           HG2      MET   2   3.943  14.678 -10.697
   14    HG3  MET   2           HG1      MET   2   4.528  14.179 -12.316
   15    HE1  MET   2           HE1      MET   2   2.780  12.527 -10.310
   16    HE2  MET   2           HE2      MET   2   3.476  10.882 -10.510
   17    HE3  MET   2           HE3      MET   2   3.272  11.951 -11.940
   18    H    ARG   3           HN       ARG   3   5.946  17.745  -9.483
   19    HA   ARG   3           HA       ARG   3   8.379  19.047 -10.339
   20    HB2  ARG   3           HB2      ARG   3   6.577  20.685  -9.885
   21    HB3  ARG   3           HB1      ARG   3   6.316  19.898  -8.290
   22    HG2  ARG   3           HG2      ARG   3   8.479  20.621  -7.467
   23    HG3  ARG   3           HG1      ARG   3   8.988  21.180  -9.101
   24    HD2  ARG   3           HD2      ARG   3   7.270  22.985  -9.055
   25    HD3  ARG   3           HD1      ARG   3   6.662  22.388  -7.451
   26    HE   ARG   3           HE       ARG   3   8.563  23.348  -6.411
   27   HH11  ARG   3          HH11      ARG   3   8.928  23.283  -9.957
   28   HH12  ARG   3          HH12      ARG   3  10.349  24.274  -9.982
   29   HH21  ARG   3          HH21      ARG   3  10.492  24.694  -6.448
   30   HH22  ARG   3          HH22      ARG   3  11.252  25.088  -7.954
   31    H    LEU   4           HN       LEU   4   6.622  17.837  -7.558
   32    HA   LEU   4           HA       LEU   4   8.927  17.584  -5.979
   33    HB2  LEU   4           HB2      LEU   4   6.543  15.766  -5.597
   34    HB3  LEU   4           HB1      LEU   4   7.484  16.663  -4.343
   35    HG   LEU   4           HG       LEU   4   6.388  18.808  -5.394
   36   HD11  LEU   4          HD11      LEU   4   5.073  16.695  -6.992
   37   HD12  LEU   4          HD12      LEU   4   4.982  18.494  -7.165
   38   HD13  LEU   4          HD13      LEU   4   3.857  17.634  -6.044
   39   HD21  LEU   4          HD21      LEU   4   4.887  16.723  -3.692
   40   HD22  LEU   4          HD22      LEU   4   4.301  18.416  -3.939
   41   HD23  LEU   4          HD23      LEU   4   5.886  18.120  -3.127
   42    H    SER   5           HN       SER   5   7.133  15.658  -8.322
   43    HA   SER   5           HA       SER   5   7.493  13.679  -9.227
   44    HB2  SER   5           HB2      SER   5  10.413  14.192  -8.400
   45    HB3  SER   5           HB1      SER   5   9.897  12.788  -9.418
   46    HG   SER   5           HG       SER   5   9.866  15.545  -9.968
   47    H    ORN   6           HN       ORN   6  10.193  12.567  -7.282
   48    HA   ORN   6           HA       ORN   6   8.266  10.947  -5.762
   49    HB2  ORN   6           HB1      ORN   6  11.251  10.329  -5.987
   50    HB3  ORN   6           HB2      ORN   6  10.138   9.841  -7.312
   51    HG2  ORN   6           HG1      ORN   6   9.138   8.180  -6.057
   52    HG3  ORN   6           HG2      ORN   6   9.255   9.102  -4.521
   53    HD2  ORN   6           HD2      ORN   6  10.903   6.912  -5.359
   54    HD3  ORN   6           HD1      ORN   6  11.956   8.375  -5.496
   55    H    PHE   7           HN       PHE   7   9.605  13.789  -5.484
   56    HA   PHE   7           HA       PHE   7  11.165  14.720  -4.077
   57    HB2  PHE   7           HB2      PHE   7   9.470  15.418  -2.156
   58    HB3  PHE   7           HB1      PHE   7   9.212  15.955  -3.818
   59    HD1  PHE   7           HD1      PHE   7   7.593  14.969  -1.030
   60    HD2  PHE   7           HD2      PHE   7   7.786  14.011  -5.154
   61    HE1  PHE   7           HE1      PHE   7   5.294  14.275  -0.999
   62    HE2  PHE   7           HE2      PHE   7   5.491  13.292  -5.090
   63    HZ   PHE   7           HZ       PHE   7   4.240  13.445  -2.989
   64    H    PHE   8           HN       PHE   8   9.348  13.878  -1.355
   65    HA   PHE   8           HA       PHE   8  11.506  12.143  -0.465
   66    HB2  PHE   8           HB2      PHE   8  10.253  13.581   1.786
   67    HB3  PHE   8           HB1      PHE   8  11.994  13.661   1.255
   68    HD1  PHE   8           HD1      PHE   8   8.687  14.955   0.927
   69    HD2  PHE   8           HD2      PHE   8  12.715  15.247  -0.267
   70    HE1  PHE   8           HE1      PHE   8   8.166  16.938  -0.341
   71    HE2  PHE   8           HE2      PHE   8  12.197  17.257  -1.500
   72    HZ   PHE   8           HZ       PHE   8   9.883  18.019  -1.558
   73    H    ARG   9           HN       ARG   9   8.613  12.180  -1.630
   74    HA   ARG   9           HA       ARG   9   6.802  11.294   0.234
   75    HB2  ARG   9           HB2      ARG   9   6.407  11.830  -2.270
   76    HB3  ARG   9           HB1      ARG   9   7.030  10.189  -2.616
   77    HG2  ARG   9           HG2      ARG   9   5.211   9.145  -1.379
   78    HG3  ARG   9           HG1      ARG   9   4.659  10.734  -0.740
   79    HD2  ARG   9           HD2      ARG   9   4.062  11.475  -3.077
   80    HD3  ARG   9           HD1      ARG   9   4.605   9.860  -3.715
   81    HE   ARG   9           HE       ARG   9   2.745   9.295  -1.654
   82   HH11  ARG   9          HH11      ARG   9   2.857  11.070  -4.740
   83   HH12  ARG   9          HH12      ARG   9   1.187  10.816  -5.124
   84   HH21  ARG   9          HH21      ARG   9   0.475   8.948  -2.175
   85   HH22  ARG   9          HH22      ARG   9  -0.190   9.588  -3.640
   86    H    ASN  10           HN       ASN  10   9.496   9.577  -1.374
   87    HA   ASN  10           HA       ASN  10   8.641   6.993  -0.753
   88    HB2  ASN  10           HB2      ASN  10  11.470   8.166  -1.044
   89    HB3  ASN  10           HB1      ASN  10  11.146   6.407  -0.822
   90   HD21  ASN  10          HD21      ASN  10  11.812   8.728  -3.143
   91    H    PHE  11           HN       PHE  11   9.956   9.631   1.203
   92    HA   PHE  11           HA       PHE  11  10.256   7.753   3.432
   93    HB2  PHE  11           HB2      PHE  11  11.133  10.702   3.177
   94    HB3  PHE  11           HB1      PHE  11  11.352   9.681   4.649
   95    HD1  PHE  11           HD1      PHE  11  12.566  10.482   1.309
   96    HD2  PHE  11           HD2      PHE  11  12.952   7.838   4.616
   97    HE1  PHE  11           HE1      PHE  11  14.739   9.733   0.459
   98    HE2  PHE  11           HE2      PHE  11  15.125   7.092   3.762
   99    HZ   PHE  11           HZ       PHE  11  16.021   8.039   1.685
  100    H    ILE  12           HN       ILE  12   9.235  11.290   3.191
  101    HA   ILE  12           HA       ILE  12   6.623  10.628   3.907
  102    HB   ILE  12           HB       ILE  12   6.425  11.919   5.877
  103   HG12  ILE  12          HG12      ILE  12   8.776  12.594   7.017
  104   HG13  ILE  12          HG11      ILE  12   9.275  12.698   5.288
  105   HG21  ILE  12          HG21      ILE  12   7.625  10.517   7.534
  106   HG22  ILE  12          HG22      ILE  12   8.765   9.952   6.258
  107   HG23  ILE  12          HG23      ILE  12   7.019   9.501   6.173
  108   HD11  ILE  12          HD11      ILE  12   7.979  14.733   6.767
  109   HD12  ILE  12          HD12      ILE  12   6.632  14.024   5.795
  110   HD13  ILE  12          HD13      ILE  12   8.110  14.657   4.968
  111    H    LEU  13           HN       LEU  13   5.302  12.279   3.854
  112    HA   LEU  13           HA       LEU  13   5.950  14.846   3.594
  113    HB2  LEU  13           HB2      LEU  13   6.864  13.788   1.262
  114    HB3  LEU  13           HB1      LEU  13   5.142  14.132   0.825
  115    HG   LEU  13           HG       LEU  13   6.724  16.064   0.415
  116   HD11  LEU  13          HD11      LEU  13   4.626  16.721   2.564
  117   HD12  LEU  13          HD12      LEU  13   4.210  16.322   0.854
  118   HD13  LEU  13          HD13      LEU  13   5.210  17.780   1.223
  119   HD21  LEU  13          HD21      LEU  13   8.134  16.860   2.042
  120   HD22  LEU  13          HD22      LEU  13   7.726  15.352   2.964
  121   HD23  LEU  13          HD23      LEU  13   6.816  16.882   3.278
  122    H    GLN  14           HN       GLN  14   4.363  13.845   5.095
  123    HA   GLN  14           HA       GLN  14   1.746  14.327   3.887
  124    HB2  GLN  14           HB2      GLN  14   2.493  12.416   6.168
  125    HB3  GLN  14           HB1      GLN  14   0.805  12.962   5.855
  126    HG2  GLN  14           HG2      GLN  14   0.942  12.053   3.529
  127    HG3  GLN  14           HG1      GLN  14   2.614  11.444   3.874
  128   HE21  GLN  14          HE21      GLN  14   2.274   9.216   3.879
  129   HE22  GLN  14          HE22      GLN  14   1.208   8.396   4.969
  130    H    ARG  15           HN       ARG  15   0.261  15.465   5.358
  131    HA   ARG  15           HA       ARG  15   1.875  17.387   6.782
  132    HB2  ARG  15           HB2      ARG  15  -1.161  17.485   6.645
  133    HB3  ARG  15           HB1      ARG  15   0.010  18.847   6.757
  134    HG2  ARG  15           HG2      ARG  15  -0.780  17.173   4.324
  135    HG3  ARG  15           HG1      ARG  15  -0.746  18.955   4.514
  136    HD2  ARG  15           HD2      ARG  15   1.392  19.054   3.640
  137    HD3  ARG  15           HD1      ARG  15   2.011  17.826   4.825
  138    HE   ARG  15           HE       ARG  15   1.499  16.073   3.245
  139   HH11  ARG  15          HH11      ARG  15   0.524  19.315   2.100
  140   HH12  ARG  15          HH12      ARG  15   0.376  18.846   0.438
  141   HH21  ARG  15          HH21      ARG  15   1.303  15.451   0.993
  142   HH22  ARG  15          HH22      ARG  15   0.826  16.612  -0.201
  143    H    LYS  16           HN       LYS  16   0.733  14.411   7.501
  144    HA   LYS  16           HA       LYS  16  -0.445  14.840  10.008
  145    HB2  LYS  16           HB2      LYS  16  -0.608  12.644   8.839
  146    HB3  LYS  16           HB1      LYS  16   1.181  12.491   8.895
  147    HG2  LYS  16           HG2      LYS  16   1.167  12.280  11.324
  148    HG3  LYS  16           HG1      LYS  16  -0.589  12.674  11.405
  149    HD2  LYS  16           HD2      LYS  16  -0.256  10.244  11.641
  150    HD3  LYS  16           HD1      LYS  16  -1.106  10.599  10.095
  151    HE2  LYS  16           HE2      LYS  16   1.042  10.352   8.832
  152    HE3  LYS  16           HE1      LYS  16   1.923  10.033  10.386
  153    HZ1  LYS  16           HZ1      LYS  16   0.271   8.302   8.800
  154    HZ2  LYS  16           HZ2      LYS  16  -0.148   8.286  10.446
  155    HZ3  LYS  16           HZ3      LYS  16   1.446   7.938   9.972
  156    H    LYS  17           HN       LYS  17   2.827  14.512   8.727
  157    HA   LYS  17           HA       LYS  17   4.106  14.415  11.244
  158    HB2  LYS  17           HB2      LYS  17   4.916  14.679   8.358
  159    HB3  LYS  17           HB1      LYS  17   6.008  15.510   9.519
  160    HG2  LYS  17           HG2      LYS  17   7.001  13.552  10.006
  161    HG3  LYS  17           HG1      LYS  17   5.446  12.932  10.662
  162    HD2  LYS  17           HD2      LYS  17   6.683  12.567   7.905
  163    HD3  LYS  17           HD1      LYS  17   6.081  11.327   9.048
  164    HE2  LYS  17           HE2      LYS  17   3.706  12.595   8.553
  165    HE3  LYS  17           HE1      LYS  17   4.571  12.996   6.999
  166    HZ1  LYS  17           HZ1      LYS  17   3.761  10.995   6.474
  167    HZ2  LYS  17           HZ2      LYS  17   3.681  10.429   8.072
  168    HZ3  LYS  17           HZ3      LYS  17   5.165  10.433   7.245
  Start of MODEL    8
    1    H1   GLU   1           HT1      GLU   1   2.845  15.606 -15.071
    2    H2   GLU   1           HT2      GLU   1   4.190  14.604 -14.800
    3    H3   GLU   1           HT3      GLU   1   3.893  15.225 -16.353
    4    HA   GLU   1           HA       GLU   1   5.696  16.337 -15.112
    5    HB2  GLU   1           HB2      GLU   1   4.488  17.421 -17.029
    6    HB3  GLU   1           HB1      GLU   1   3.235  18.013 -15.887
    7    HG2  GLU   1           HG2      GLU   1   4.789  19.859 -16.424
    8    HG3  GLU   1           HG1      GLU   1   5.014  19.393 -14.693
    9    H    MET   2           HN       MET   2   5.880  15.854 -12.841
   10    HA   MET   2           HA       MET   2   4.377  17.769 -11.203
   11    HB2  MET   2           HB2      MET   2   5.118  14.900 -10.413
   12    HB3  MET   2           HB1      MET   2   4.406  16.131  -9.320
   13    HG2  MET   2           HG2      MET   2   3.071  14.887 -11.801
   14    HG3  MET   2           HG1      MET   2   2.699  14.507 -10.091
   15    HE1  MET   2           HE1      MET   2   0.787  17.123  -8.564
   16    HE2  MET   2           HE2      MET   2   2.506  17.646  -8.620
   17    HE3  MET   2           HE3      MET   2   2.103  15.904  -8.438
   18    H    ARG   3           HN       ARG   3   5.464  18.334  -9.223
   19    HA   ARG   3           HA       ARG   3   8.292  18.283  -9.674
   20    HB2  ARG   3           HB2      ARG   3   7.129  20.457  -9.151
   21    HB3  ARG   3           HB1      ARG   3   6.664  19.717  -7.582
   22    HG2  ARG   3           HG2      ARG   3   8.956  19.575  -6.838
   23    HG3  ARG   3           HG1      ARG   3   9.587  20.009  -8.466
   24    HD2  ARG   3           HD2      ARG   3   8.611  22.305  -8.255
   25    HD3  ARG   3           HD1      ARG   3   7.923  21.869  -6.632
   26    HE   ARG   3           HE       ARG   3  10.100  22.032  -5.704
   27   HH11  ARG   3          HH11      ARG   3  10.211  22.059  -9.270
   28   HH12  ARG   3          HH12      ARG   3  11.886  22.490  -9.365
   29   HH21  ARG   3          HH21      ARG   3  12.372  22.619  -5.840
   30   HH22  ARG   3          HH22      ARG   3  13.134  22.812  -7.382
   31    H    LEU   4           HN       LEU   4   6.024  17.939  -7.004
   32    HA   LEU   4           HA       LEU   4   7.931  16.367  -5.602
   33    HB2  LEU   4           HB2      LEU   4   5.488  15.906  -4.349
   34    HB3  LEU   4           HB1      LEU   4   6.688  17.144  -3.849
   35    HG   LEU   4           HG       LEU   4   5.540  18.802  -5.372
   36   HD11  LEU   4          HD11      LEU   4   3.699  16.396  -5.864
   37   HD12  LEU   4          HD12      LEU   4   4.392  17.567  -7.058
   38   HD13  LEU   4          HD13      LEU   4   3.048  18.078  -5.962
   39   HD21  LEU   4          HD21      LEU   4   5.068  18.667  -2.918
   40   HD22  LEU   4          HD22      LEU   4   3.727  17.501  -3.243
   41   HD23  LEU   4          HD23      LEU   4   3.617  19.199  -3.855
   42    H    SER   5           HN       SER   5   8.017  15.055  -7.620
   43    HA   SER   5           HA       SER   5   5.829  13.207  -7.849
   44    HB2  SER   5           HB2      SER   5   7.159  13.807  -9.943
   45    HB3  SER   5           HB1      SER   5   8.619  13.063  -9.183
   46    HG   SER   5           HG       SER   5   6.621  11.332  -9.006
   47    H    ORN   6           HN       ORN   6   9.423  12.801  -7.315
   48    HA   ORN   6           HA       ORN   6   8.700  10.990  -5.121
   49    HB2  ORN   6           HB1      ORN   6  11.362  10.720  -6.606
   50    HB3  ORN   6           HB2      ORN   6   9.908   9.872  -7.242
   51    HG2  ORN   6           HG1      ORN   6  10.377   8.186  -5.792
   52    HG3  ORN   6           HG2      ORN   6   9.868   9.284  -4.468
   53    HD2  ORN   6           HD2      ORN   6  12.561   8.230  -5.103
   54    HD3  ORN   6           HD1      ORN   6  12.578  10.036  -5.031
   55    H    PHE   7           HN       PHE   7   8.588  13.107  -4.121
   56    HA   PHE   7           HA       PHE   7  10.910  14.681  -3.938
   57    HB2  PHE   7           HB2      PHE   7   9.314  15.695  -2.030
   58    HB3  PHE   7           HB1      PHE   7   8.911  15.941  -3.744
   59    HD1  PHE   7           HD1      PHE   7   7.664  15.031  -0.651
   60    HD2  PHE   7           HD2      PHE   7   7.425  14.042  -4.724
   61    HE1  PHE   7           HE1      PHE   7   5.451  14.177  -0.293
   62    HE2  PHE   7           HE2      PHE   7   5.196  13.186  -4.389
   63    HZ   PHE   7           HZ       PHE   7   4.209  13.264  -2.134
   64    H    PHE   8           HN       PHE   8   9.285  14.322  -0.950
   65    HA   PHE   8           HA       PHE   8  11.587  12.845   0.084
   66    HB2  PHE   8           HB2      PHE   8   9.798  14.119   2.113
   67    HB3  PHE   8           HB1      PHE   8  11.574  14.411   1.844
   68    HD1  PHE   8           HD1      PHE   8   8.333  15.624   1.478
   69    HD2  PHE   8           HD2      PHE   8  12.203  15.697  -0.178
   70    HE1  PHE   8           HE1      PHE   8   7.660  17.415   0.027
   71    HE2  PHE   8           HE2      PHE   8  11.550  17.532  -1.602
   72    HZ   PHE   8           HZ       PHE   8   9.241  18.301  -1.538
   73    H    ARG   9           HN       ARG   9   8.721  12.520  -1.253
   74    HA   ARG   9           HA       ARG   9   6.992  11.145   0.366
   75    HB2  ARG   9           HB2      ARG   9   6.759  11.900  -2.136
   76    HB3  ARG   9           HB1      ARG   9   7.519  10.330  -2.527
   77    HG2  ARG   9           HG2      ARG   9   5.693   9.097  -1.452
   78    HG3  ARG   9           HG1      ARG   9   4.966  10.620  -0.831
   79    HD2  ARG   9           HD2      ARG   9   4.530  11.386  -3.208
   80    HD3  ARG   9           HD1      ARG   9   5.229   9.822  -3.821
   81    HE   ARG   9           HE       ARG   9   2.603  10.190  -2.484
   82   HH11  ARG   9          HH11      ARG   9   5.214   7.971  -3.474
   83   HH12  ARG   9          HH12      ARG   9   4.218   6.556  -3.478
   84   HH21  ARG   9          HH21      ARG   9   1.252   8.263  -2.492
   85   HH22  ARG   9          HH22      ARG   9   1.928   6.726  -2.911
   86    H    ASN  10           HN       ASN  10  10.065  10.066  -1.045
   87    HA   ASN  10           HA       ASN  10   9.534   7.330  -0.905
   88    HB2  ASN  10           HB2      ASN  10  12.150   8.926  -0.698
   89    HB3  ASN  10           HB1      ASN  10  12.114   7.127  -0.639
   90   HD21  ASN  10          HD21      ASN  10  12.205   9.921  -2.706
   91    H    PHE  11           HN       PHE  11  10.014   9.778   1.576
   92    HA   PHE  11           HA       PHE  11  10.237   7.595   3.537
   93    HB2  PHE  11           HB2      PHE  11  11.095  10.545   3.813
   94    HB3  PHE  11           HB1      PHE  11  11.128   9.331   5.148
   95    HD1  PHE  11           HD1      PHE  11  12.767  10.571   2.140
   96    HD2  PHE  11           HD2      PHE  11  12.739   7.500   5.080
   97    HE1  PHE  11           HE1      PHE  11  15.044   9.930   1.497
   98    HE2  PHE  11           HE2      PHE  11  15.015   6.862   4.433
   99    HZ   PHE  11           HZ       PHE  11  16.170   8.076   2.642
  100    H    ILE  12           HN       ILE  12   9.041  11.059   3.213
  101    HA   ILE  12           HA       ILE  12   6.404  10.360   3.811
  102    HB   ILE  12           HB       ILE  12   6.337  11.981   5.822
  103   HG12  ILE  12          HG12      ILE  12   8.671  11.132   7.138
  104   HG13  ILE  12          HG11      ILE  12   9.265  11.613   5.514
  105   HG21  ILE  12          HG21      ILE  12   6.178  10.132   7.282
  106   HG22  ILE  12          HG22      ILE  12   7.582   9.285   6.535
  107   HG23  ILE  12          HG23      ILE  12   6.003   9.346   5.668
  108   HD11  ILE  12          HD11      ILE  12   8.744  13.862   5.834
  109   HD12  ILE  12          HD12      ILE  12   8.983  13.393   7.560
  110   HD13  ILE  12          HD13      ILE  12   7.317  13.499   6.877
  111    H    LEU  13           HN       LEU  13   6.950  13.362   5.100
  112    HA   LEU  13           HA       LEU  13   7.915  14.931   3.228
  113    HB2  LEU  13           HB2      LEU  13   6.649  14.898   1.317
  114    HB3  LEU  13           HB1      LEU  13   5.619  13.624   2.038
  115    HG   LEU  13           HG       LEU  13   4.984  16.391   2.995
  116   HD11  LEU  13          HD11      LEU  13   5.672  16.382   0.345
  117   HD12  LEU  13          HD12      LEU  13   4.370  17.419   1.052
  118   HD13  LEU  13          HD13      LEU  13   3.941  15.872   0.227
  119   HD21  LEU  13          HD21      LEU  13   3.064  14.448   1.664
  120   HD22  LEU  13          HD22      LEU  13   2.818  15.536   3.084
  121   HD23  LEU  13          HD23      LEU  13   3.784  14.015   3.266
  122    H    GLN  14           HN       GLN  14   5.537  14.042   5.603
  123    HA   GLN  14           HA       GLN  14   5.017  15.121   7.462
  124    HB2  GLN  14           HB2      GLN  14   7.227  16.559   6.922
  125    HB3  GLN  14           HB1      GLN  14   6.019  17.821   6.500
  126    HG2  GLN  14           HG2      GLN  14   5.318  18.103   8.688
  127    HG3  GLN  14           HG1      GLN  14   5.618  16.364   9.118
  128   HE21  GLN  14          HE21      GLN  14   7.247  19.513   8.387
  129   HE22  GLN  14          HE22      GLN  14   8.695  19.179   9.274
  130    H    ARG  15           HN       ARG  15   3.377  16.732   8.209
  131    HA   ARG  15           HA       ARG  15   1.582  17.990   7.966
  132    HB2  ARG  15           HB2      ARG  15   2.267  18.135   4.983
  133    HB3  ARG  15           HB1      ARG  15   0.762  18.831   5.664
  134    HG2  ARG  15           HG2      ARG  15   2.460  20.591   5.441
  135    HG3  ARG  15           HG1      ARG  15   2.109  20.295   7.180
  136    HD2  ARG  15           HD2      ARG  15   4.198  18.870   7.343
  137    HD3  ARG  15           HD1      ARG  15   4.555  19.215   5.600
  138    HE   ARG  15           HE       ARG  15   5.281  21.356   6.253
  139   HH11  ARG  15          HH11      ARG  15   3.397  19.850   8.870
  140   HH12  ARG  15          HH12      ARG  15   3.812  21.039  10.058
  141   HH21  ARG  15          HH21      ARG  15   5.843  22.974   7.865
  142   HH22  ARG  15          HH22      ARG  15   5.223  22.843   9.476
  143    H    LYS  16           HN       LYS  16   1.754  15.886   5.067
  144    HA   LYS  16           HA       LYS  16  -0.912  15.064   5.355
  145    HB2  LYS  16           HB2      LYS  16   0.431  14.837   3.216
  146    HB3  LYS  16           HB1      LYS  16   1.432  13.592   4.037
  147    HG2  LYS  16           HG2      LYS  16  -0.371  12.025   4.133
  148    HG3  LYS  16           HG1      LYS  16  -1.609  13.289   3.795
  149    HD2  LYS  16           HD2      LYS  16  -1.233  11.896   1.789
  150    HD3  LYS  16           HD1      LYS  16  -0.692  13.585   1.491
  151    HE2  LYS  16           HE2      LYS  16   1.029  12.140   0.564
  152    HE3  LYS  16           HE1      LYS  16   1.707  12.782   2.122
  153    HZ1  LYS  16           HZ1      LYS  16   1.573  10.197   1.413
  154    HZ2  LYS  16           HZ2      LYS  16   0.185  10.341   2.381
  155    HZ3  LYS  16           HZ3      LYS  16   1.705  10.772   3.006
  156    H    LYS  17           HN       LYS  17   2.186  14.112   6.667
  157    HA   LYS  17           HA       LYS  17   1.047  11.723   7.867
  158    HB2  LYS  17           HB2      LYS  17   3.862  12.912   8.228
  159    HB3  LYS  17           HB1      LYS  17   3.323  11.261   8.705
  160    HG2  LYS  17           HG2      LYS  17   3.486  12.338   5.821
  161    HG3  LYS  17           HG1      LYS  17   4.683  11.255   6.612
  162    HD2  LYS  17           HD2      LYS  17   2.914   9.505   6.900
  163    HD3  LYS  17           HD1      LYS  17   1.705  10.591   6.132
  164    HE2  LYS  17           HE2      LYS  17   3.021  10.562   3.997
  165    HE3  LYS  17           HE1      LYS  17   4.246   9.470   4.769
  166    HZ1  LYS  17           HZ1      LYS  17   1.434   8.676   4.894
  167    HZ2  LYS  17           HZ2      LYS  17   2.840   7.741   4.719
  168    HZ3  LYS  17           HZ3      LYS  17   2.211   8.587   3.387
  Start of MODEL    9
    1    H1   GLU   1           HT1      GLU   1   5.144  17.061 -16.168
    2    H2   GLU   1           HT2      GLU   1   4.985  18.217 -14.934
    3    H3   GLU   1           HT3      GLU   1   3.906  18.220 -16.246
    4    HA   GLU   1           HA       GLU   1   2.558  17.087 -14.953
    5    HB2  GLU   1           HB2      GLU   1   4.676  14.884 -15.310
    6    HB3  GLU   1           HB1      GLU   1   2.947  14.611 -14.901
    7    HG2  GLU   1           HG2      GLU   1   3.988  15.868 -17.534
    8    HG3  GLU   1           HG1      GLU   1   3.388  14.176 -17.329
    9    H    MET   2           HN       MET   2   5.945  16.351 -13.855
   10    HA   MET   2           HA       MET   2   4.970  16.796 -11.132
   11    HB2  MET   2           HB2      MET   2   6.811  14.511 -12.029
   12    HB3  MET   2           HB1      MET   2   6.595  15.030 -10.321
   13    HG2  MET   2           HG2      MET   2   4.097  14.551 -10.578
   14    HG3  MET   2           HG1      MET   2   4.451  13.851 -12.190
   15    HE1  MET   2           HE1      MET   2   6.287  10.675 -11.760
   16    HE2  MET   2           HE2      MET   2   7.226  12.206 -11.851
   17    HE3  MET   2           HE3      MET   2   5.691  12.037 -12.773
   18    H    ARG   3           HN       ARG   3   6.590  17.338  -9.663
   19    HA   ARG   3           HA       ARG   3   8.920  18.448 -10.955
   20    HB2  ARG   3           HB2      ARG   3   7.215  19.662  -8.774
   21    HB3  ARG   3           HB1      ARG   3   8.708  20.423  -9.447
   22    HG2  ARG   3           HG2      ARG   3   7.479  20.372 -11.732
   23    HG3  ARG   3           HG1      ARG   3   6.007  19.943 -10.789
   24    HD2  ARG   3           HD2      ARG   3   6.266  22.071  -9.440
   25    HD3  ARG   3           HD1      ARG   3   7.705  22.506 -10.458
   26    HE   ARG   3           HE       ARG   3   6.246  22.943 -12.296
   27   HH11  ARG   3          HH11      ARG   3   4.521  21.507  -9.524
   28   HH12  ARG   3          HH12      ARG   3   2.939  21.856 -10.132
   29   HH21  ARG   3          HH21      ARG   3   4.091  23.417 -13.118
   30   HH22  ARG   3          HH22      ARG   3   2.691  22.961 -12.209
   31    H    LEU   4           HN       LEU   4   7.250  17.684  -8.004
   32    HA   LEU   4           HA       LEU   4   9.580  17.433  -6.458
   33    HB2  LEU   4           HB2      LEU   4   7.049  15.885  -5.874
   34    HB3  LEU   4           HB1      LEU   4   8.117  16.760  -4.710
   35    HG   LEU   4           HG       LEU   4   7.244  18.920  -5.964
   36   HD11  LEU   4          HD11      LEU   4   5.690  18.600  -7.601
   37   HD12  LEU   4          HD12      LEU   4   4.557  17.972  -6.342
   38   HD13  LEU   4          HD13      LEU   4   5.613  16.828  -7.253
   39   HD21  LEU   4          HD21      LEU   4   5.542  17.262  -3.993
   40   HD22  LEU   4          HD22      LEU   4   5.286  19.015  -4.352
   41   HD23  LEU   4          HD23      LEU   4   6.827  18.466  -3.589
   42    H    SER   5           HN       SER   5   7.578  15.381  -8.494
   43    HA   SER   5           HA       SER   5   7.706  13.207  -9.025
   44    HB2  SER   5           HB2      SER   5  10.653  14.003  -9.376
   45    HB3  SER   5           HB1      SER   5   9.874  12.556 -10.132
   46    HG   SER   5           HG       SER   5   9.835  15.154 -10.870
   47    H    ORN   6           HN       ORN   6   7.236  12.313  -6.788
   48    HA   ORN   6           HA       ORN   6   7.631  10.687  -5.329
   49    HB2  ORN   6           HB1      ORN   6  10.324  10.379  -6.767
   50    HB3  ORN   6           HB2      ORN   6   8.907   9.291  -6.850
   51    HG2  ORN   6           HG1      ORN   6  10.584   9.757  -4.307
   52    HG3  ORN   6           HG2      ORN   6  10.874   8.435  -5.480
   53    HD2  ORN   6           HD2      ORN   6   8.037   8.647  -4.452
   54    HD3  ORN   6           HD1      ORN   6   9.063   7.189  -4.757
   55    H    PHE   7           HN       PHE   7   9.672  13.481  -5.668
   56    HA   PHE   7           HA       PHE   7  11.312  14.260  -4.349
   57    HB2  PHE   7           HB2      PHE   7   9.886  15.432  -2.445
   58    HB3  PHE   7           HB1      PHE   7   9.651  15.870  -4.138
   59    HD1  PHE   7           HD1      PHE   7   8.018  15.524  -1.241
   60    HD2  PHE   7           HD2      PHE   7   7.822  14.078  -5.223
   61    HE1  PHE   7           HE1      PHE   7   5.626  15.291  -1.063
   62    HE2  PHE   7           HE2      PHE   7   5.448  13.816  -5.013
   63    HZ   PHE   7           HZ       PHE   7   4.344  14.443  -2.910
   64    H    PHE   8           HN       PHE   8   9.534  14.043  -1.492
   65    HA   PHE   8           HA       PHE   8  11.304  11.956  -0.523
   66    HB2  PHE   8           HB2      PHE   8  10.703  13.837   1.635
   67    HB3  PHE   8           HB1      PHE   8  12.335  13.506   0.902
   68    HD1  PHE   8           HD1      PHE   8   9.308  15.440   0.747
   69    HD2  PHE   8           HD2      PHE   8  13.179  14.783  -0.791
   70    HE1  PHE   8           HE1      PHE   8   9.055  17.344  -0.705
   71    HE2  PHE   8           HE2      PHE   8  12.941  16.725  -2.197
   72    HZ   PHE   8           HZ       PHE   8  10.832  17.935  -2.166
   73    H    ARG   9           HN       ARG   9   8.426  12.510  -1.510
   74    HA   ARG   9           HA       ARG   9   6.623  12.386   0.560
   75    HB2  ARG   9           HB2      ARG   9   6.145  12.598  -1.970
   76    HB3  ARG   9           HB1      ARG   9   6.371  10.828  -2.067
   77    HG2  ARG   9           HG2      ARG   9   4.488  10.447  -0.528
   78    HG3  ARG   9           HG1      ARG   9   4.303  12.216  -0.264
   79    HD2  ARG   9           HD2      ARG   9   3.736  12.525  -2.708
   80    HD3  ARG   9           HD1      ARG   9   3.886  10.730  -2.954
   81    HE   ARG   9           HE       ARG   9   1.686  12.151  -1.553
   82   HH11  ARG   9          HH11      ARG   9   3.421   9.094  -2.164
   83   HH12  ARG   9          HH12      ARG   9   2.092   8.075  -1.724
   84   HH21  ARG   9          HH21      ARG   9  -0.115  10.763  -0.957
   85   HH22  ARG   9          HH22      ARG   9   0.048   9.042  -1.027
   86    H    ASN  10           HN       ASN  10   8.688   9.846  -0.861
   87    HA   ASN  10           HA       ASN  10   7.275   7.701   0.318
   88    HB2  ASN  10           HB2      ASN  10  10.233   7.878  -0.520
   89    HB3  ASN  10           HB1      ASN  10   9.321   6.357  -0.193
   90   HD21  ASN  10          HD21      ASN  10  10.234   8.674  -2.570
   91    H    PHE  11           HN       PHE  11   9.228  10.239   1.616
   92    HA   PHE  11           HA       PHE  11   9.689   8.599   4.009
   93    HB2  PHE  11           HB2      PHE  11  11.259  11.072   3.036
   94    HB3  PHE  11           HB1      PHE  11  11.517  10.234   4.615
   95    HD1  PHE  11           HD1      PHE  11  12.141  10.198   1.035
   96    HD2  PHE  11           HD2      PHE  11  12.448   7.968   4.643
   97    HE1  PHE  11           HE1      PHE  11  13.758   8.694  -0.029
   98    HE2  PHE  11           HE2      PHE  11  14.064   6.468   3.575
   99    HZ   PHE  11           HZ       PHE  11  14.721   6.828   1.239
  100    H    ILE  12           HN       ILE  12   9.631  12.213   3.287
  101    HA   ILE  12           HA       ILE  12   7.235  12.388   4.793
  102    HB   ILE  12           HB       ILE  12   9.501  14.189   5.621
  103   HG12  ILE  12          HG12      ILE  12   9.147  12.744   7.877
  104   HG13  ILE  12          HG11      ILE  12   8.748  11.459   6.689
  105   HG21  ILE  12          HG21      ILE  12   7.505  14.060   7.628
  106   HG22  ILE  12          HG22      ILE  12   6.561  13.944   6.092
  107   HG23  ILE  12          HG23      ILE  12   7.667  15.342   6.369
  108   HD11  ILE  12          HD11      ILE  12  11.062  12.521   5.546
  109   HD12  ILE  12          HD12      ILE  12  11.030  11.097   6.661
  110   HD13  ILE  12          HD13      ILE  12  11.399  12.742   7.309
  111    H    LEU  13           HN       LEU  13   6.025  13.687   4.131
  112    HA   LEU  13           HA       LEU  13   6.447  16.201   3.352
  113    HB2  LEU  13           HB2      LEU  13   7.550  14.731   1.308
  114    HB3  LEU  13           HB1      LEU  13   5.847  14.933   0.742
  115    HG   LEU  13           HG       LEU  13   7.283  16.834  -0.005
  116   HD11  LEU  13          HD11      LEU  13   5.850  18.707   0.841
  117   HD12  LEU  13          HD12      LEU  13   5.211  17.629   2.144
  118   HD13  LEU  13          HD13      LEU  13   4.866  17.258   0.411
  119   HD21  LEU  13          HD21      LEU  13   8.290  16.617   2.725
  120   HD22  LEU  13          HD22      LEU  13   7.633  18.281   2.477
  121   HD23  LEU  13          HD23      LEU  13   8.905  17.642   1.371
  122    H    GLN  14           HN       GLN  14   4.799  14.664   4.876
  123    HA   GLN  14           HA       GLN  14   2.304  15.401   3.637
  124    HB2  GLN  14           HB2      GLN  14   2.785  12.662   4.933
  125    HB3  GLN  14           HB1      GLN  14   1.159  13.343   4.561
  126    HG2  GLN  14           HG2      GLN  14   1.832  13.562   2.148
  127    HG3  GLN  14           HG1      GLN  14   3.396  12.729   2.540
  128   HE21  GLN  14          HE21      GLN  14   3.347  10.582   2.029
  129   HE22  GLN  14          HE22      GLN  14   1.980   9.532   2.182
  130    H    ARG  15           HN       ARG  15   0.582  15.551   5.310
  131    HA   ARG  15           HA       ARG  15   1.893  16.753   7.598
  132    HB2  ARG  15           HB2      ARG  15  -0.858  16.988   6.317
  133    HB3  ARG  15           HB1      ARG  15  -0.597  17.545   8.008
  134    HG2  ARG  15           HG2      ARG  15  -0.351  19.406   6.350
  135    HG3  ARG  15           HG1      ARG  15   1.144  19.125   7.300
  136    HD2  ARG  15           HD2      ARG  15   1.572  19.558   4.803
  137    HD3  ARG  15           HD1      ARG  15   2.219  17.954   5.360
  138    HE   ARG  15           HE       ARG  15   0.617  16.883   3.975
  139   HH11  ARG  15          HH11      ARG  15  -0.198  20.332   4.421
  140   HH12  ARG  15          HH12      ARG  15  -1.453  20.348   3.229
  141   HH21  ARG  15          HH21      ARG  15  -1.091  16.916   2.351
  142   HH22  ARG  15          HH22      ARG  15  -1.969  18.373   2.034
  143    H    LYS  16           HN       LYS  16   1.168  13.696   6.974
  144    HA   LYS  16           HA       LYS  16  -0.394  13.234   9.386
  145    HB2  LYS  16           HB2      LYS  16   0.915  10.977   7.839
  146    HB3  LYS  16           HB1      LYS  16  -0.667  10.993   8.691
  147    HG2  LYS  16           HG2      LYS  16  -1.531  12.553   6.839
  148    HG3  LYS  16           HG1      LYS  16   0.010  12.232   5.964
  149    HD2  LYS  16           HD2      LYS  16  -1.983  10.063   6.871
  150    HD3  LYS  16           HD1      LYS  16  -1.907  10.765   5.218
  151    HE2  LYS  16           HE2      LYS  16   0.494   9.951   5.021
  152    HE3  LYS  16           HE1      LYS  16   0.323   9.161   6.643
  153    HZ1  LYS  16           HZ1      LYS  16  -1.098   8.553   4.119
  154    HZ2  LYS  16           HZ2      LYS  16  -1.684   8.037   5.628
  155    HZ3  LYS  16           HZ3      LYS  16  -0.151   7.537   5.095
  156    H    LYS  17           HN       LYS  17   2.733  13.915   8.443
  157    HA   LYS  17           HA       LYS  17   3.881  12.177  10.507
  158    HB2  LYS  17           HB2      LYS  17   4.974  13.461   7.964
  159    HB3  LYS  17           HB1      LYS  17   6.098  13.108   9.325
  160    HG2  LYS  17           HG2      LYS  17   5.874  10.797   9.122
  161    HG3  LYS  17           HG1      LYS  17   4.222  10.897   8.420
  162    HD2  LYS  17           HD2      LYS  17   6.771  11.776   6.947
  163    HD3  LYS  17           HD1      LYS  17   6.081  10.126   6.836
  164    HE2  LYS  17           HE2      LYS  17   3.826  11.565   6.188
  165    HE3  LYS  17           HE1      LYS  17   5.099  12.736   5.612
  166    HZ1  LYS  17           HZ1      LYS  17   6.124  10.660   4.551
  167    HZ2  LYS  17           HZ2      LYS  17   4.745  11.358   3.837
  168    HZ3  LYS  17           HZ3      LYS  17   4.597   9.946   4.768
  Start of MODEL   10
    1    H1   GLU   1           HT1      GLU   1   3.652  18.063 -15.452
    2    H2   GLU   1           HT2      GLU   1   4.746  16.814 -15.089
    3    H3   GLU   1           HT3      GLU   1   4.530  18.100 -13.998
    4    HA   GLU   1           HA       GLU   1   2.034  17.210 -14.253
    5    HB2  GLU   1           HB2      GLU   1   2.896  15.262 -15.618
    6    HB3  GLU   1           HB1      GLU   1   3.911  14.775 -14.215
    7    HG2  GLU   1           HG2      GLU   1   1.858  14.390 -12.828
    8    HG3  GLU   1           HG1      GLU   1   0.817  14.922 -14.207
    9    H    MET   2           HN       MET   2   5.206  16.492 -12.684
   10    HA   MET   2           HA       MET   2   3.842  16.962 -10.137
   11    HB2  MET   2           HB2      MET   2   5.932  14.796 -10.719
   12    HB3  MET   2           HB1      MET   2   5.490  15.346  -9.065
   13    HG2  MET   2           HG2      MET   2   3.142  14.626  -9.422
   14    HG3  MET   2           HG1      MET   2   3.529  14.125 -11.100
   15    HE1  MET   2           HE1      MET   2   2.754  10.813  -9.207
   16    HE2  MET   2           HE2      MET   2   2.330  11.935 -10.546
   17    HE3  MET   2           HE3      MET   2   2.076  12.438  -8.838
   18    H    ARG   3           HN       ARG   3   5.256  17.743  -8.460
   19    HA   ARG   3           HA       ARG   3   7.572  19.020  -9.627
   20    HB2  ARG   3           HB2      ARG   3   5.860  20.691  -9.009
   21    HB3  ARG   3           HB1      ARG   3   5.747  19.926  -7.385
   22    HG2  ARG   3           HG2      ARG   3   7.978  20.637  -6.780
   23    HG3  ARG   3           HG1      ARG   3   8.351  21.147  -8.465
   24    HD2  ARG   3           HD2      ARG   3   6.692  22.996  -8.315
   25    HD3  ARG   3           HD1      ARG   3   6.196  22.443  -6.658
   26    HE   ARG   3           HE       ARG   3   8.193  23.379  -5.785
   27   HH11  ARG   3          HH11      ARG   3   8.290  23.230  -9.348
   28   HH12  ARG   3          HH12      ARG   3   9.728  24.182  -9.499
   29   HH21  ARG   3          HH21      ARG   3  10.146  24.671  -5.998
   30   HH22  ARG   3          HH22      ARG   3  10.800  25.014  -7.564
   31    H    LEU   4           HN       LEU   4   6.135  17.835  -6.660
   32    HA   LEU   4           HA       LEU   4   8.591  17.629  -5.322
   33    HB2  LEU   4           HB2      LEU   4   6.282  15.778  -4.700
   34    HB3  LEU   4           HB1      LEU   4   7.337  16.682  -3.543
   35    HG   LEU   4           HG       LEU   4   6.119  18.818  -4.495
   36   HD11  LEU   4          HD11      LEU   4   3.545  17.614  -4.861
   37   HD12  LEU   4          HD12      LEU   4   4.663  16.678  -5.923
   38   HD13  LEU   4          HD13      LEU   4   4.535  18.474  -6.101
   39   HD21  LEU   4          HD21      LEU   4   4.865  16.734  -2.607
   40   HD22  LEU   4          HD22      LEU   4   4.176  18.390  -2.834
   41   HD23  LEU   4          HD23      LEU   4   5.849  18.190  -2.185
   42    H    SER   5           HN       SER   5   6.607  15.653  -7.465
   43    HA   SER   5           HA       SER   5   6.935  13.678  -8.402
   44    HB2  SER   5           HB2      SER   5   9.107  14.810  -9.213
   45    HB3  SER   5           HB1      SER   5   9.947  13.997  -7.837
   46    HG   SER   5           HG       SER   5   9.657  13.010 -10.128
   47    H    ORN   6           HN       ORN   6   9.830  12.485  -6.936
   48    HA   ORN   6           HA       ORN   6   8.156  10.961  -5.066
   49    HB2  ORN   6           HB1      ORN   6  11.049  10.277  -5.783
   50    HB3  ORN   6           HB2      ORN   6   9.713   9.785  -6.879
   51    HG2  ORN   6           HG1      ORN   6   9.003   8.115  -5.480
   52    HG3  ORN   6           HG2      ORN   6   9.222   9.110  -4.001
   53    HD2  ORN   6           HD2      ORN   6  10.906   6.964  -4.973
   54    HD3  ORN   6           HD1      ORN   6  11.866   8.488  -5.123
   55    H    PHE   7           HN       PHE   7   9.247  13.776  -4.849
   56    HA   PHE   7           HA       PHE   7  11.111  14.720  -3.719
   57    HB2  PHE   7           HB2      PHE   7   9.625  15.445  -1.649
   58    HB3  PHE   7           HB1      PHE   7   9.145  15.923  -3.290
   59    HD1  PHE   7           HD1      PHE   7   8.061  14.667  -0.275
   60    HD2  PHE   7           HD2      PHE   7   7.533  14.163  -4.424
   61    HE1  PHE   7           HE1      PHE   7   5.857  13.821   0.116
   62    HE2  PHE   7           HE2      PHE   7   5.299  13.325  -4.029
   63    HZ   PHE   7           HZ       PHE   7   4.473  13.172  -1.720
   64    H    PHE   8           HN       PHE   8   9.523  13.850  -0.835
   65    HA   PHE   8           HA       PHE   8  11.781  12.162  -0.112
   66    HB2  PHE   8           HB2      PHE   8  10.653  13.539   2.245
   67    HB3  PHE   8           HB1      PHE   8  12.347  13.680   1.589
   68    HD1  PHE   8           HD1      PHE   8   9.063  14.967   1.685
   69    HD2  PHE   8           HD2      PHE   8  12.846  15.235  -0.120
   70    HE1  PHE   8           HE1      PHE   8   8.335  16.931   0.496
   71    HE2  PHE   8           HE2      PHE   8  12.151  17.239  -1.274
   72    HZ   PHE   8           HZ       PHE   8   9.860  18.023  -0.995
   73    H    ARG   9           HN       ARG   9   8.875  12.129  -1.125
   74    HA   ARG   9           HA       ARG   9   7.097  11.180   0.731
   75    HB2  ARG   9           HB2      ARG   9   6.802  11.661  -1.851
   76    HB3  ARG   9           HB1      ARG   9   7.311   9.963  -2.062
   77    HG2  ARG   9           HG2      ARG   9   5.414   9.139  -0.766
   78    HG3  ARG   9           HG1      ARG   9   4.953  10.807  -0.279
   79    HD2  ARG   9           HD2      ARG   9   3.440  10.124  -2.092
   80    HD3  ARG   9           HD1      ARG   9   4.605  11.326  -2.810
   81    HE   ARG   9           HE       ARG   9   5.671   8.649  -3.096
   82   HH11  ARG   9          HH11      ARG   9   3.107  10.828  -4.262
   83   HH12  ARG   9          HH12      ARG   9   2.984  10.100  -5.828
   84   HH21  ARG   9          HH21      ARG   9   5.506   7.656  -5.225
   85   HH22  ARG   9          HH22      ARG   9   4.374   8.264  -6.384
   86    H    ASN  10           HN       ASN  10   9.803   9.490  -0.897
   87    HA   ASN  10           HA       ASN  10   8.926   6.906  -0.317
   88    HB2  ASN  10           HB2      ASN  10  11.751   8.059  -0.671
   89    HB3  ASN  10           HB1      ASN  10  11.430   6.300  -0.447
   90   HD21  ASN  10          HD21      ASN  10  11.737   8.841  -2.750
   91    H    PHE  11           HN       PHE  11  10.148   9.482   1.740
   92    HA   PHE  11           HA       PHE  11  10.482   7.478   3.864
   93    HB2  PHE  11           HB2      PHE  11  11.612  10.342   3.682
   94    HB3  PHE  11           HB1      PHE  11  11.773   9.258   5.115
   95    HD1  PHE  11           HD1      PHE  11  12.977  10.063   1.775
   96    HD2  PHE  11           HD2      PHE  11  13.182   7.265   4.971
   97    HE1  PHE  11           HE1      PHE  11  15.048   9.141   0.840
   98    HE2  PHE  11           HE2      PHE  11  15.252   6.348   4.032
   99    HZ   PHE  11           HZ       PHE  11  16.186   7.284   1.967
  100    H    ILE  12           HN       ILE  12   9.706  11.074   3.699
  101    HA   ILE  12           HA       ILE  12   7.132  10.857   4.371
  102    HB   ILE  12           HB       ILE  12   7.212  10.427   6.575
  103   HG12  ILE  12          HG12      ILE  12   6.906  12.944   6.345
  104   HG13  ILE  12          HG11      ILE  12   7.285  12.305   7.963
  105   HG21  ILE  12          HG21      ILE  12  10.219  10.971   6.306
  106   HG22  ILE  12          HG22      ILE  12   9.373   9.449   6.780
  107   HG23  ILE  12          HG23      ILE  12   9.470  10.824   7.939
  108   HD11  ILE  12          HD11      ILE  12   8.595  14.449   6.667
  109   HD12  ILE  12          HD12      ILE  12   9.742  13.072   6.449
  110   HD13  ILE  12          HD13      ILE  12   9.209  13.550   8.108
  111    H    LEU  13           HN       LEU  13   6.335  12.944   4.272
  112    HA   LEU  13           HA       LEU  13   8.403  14.899   3.678
  113    HB2  LEU  13           HB2      LEU  13   7.272  15.539   1.772
  114    HB3  LEU  13           HB1      LEU  13   6.808  13.802   1.853
  115    HG   LEU  13           HG       LEU  13   5.057  15.889   3.203
  116   HD11  LEU  13          HD11      LEU  13   5.842  16.140   0.478
  117   HD12  LEU  13          HD12      LEU  13   4.409  16.903   1.279
  118   HD13  LEU  13          HD13      LEU  13   4.223  15.326   0.423
  119   HD21  LEU  13          HD21      LEU  13   3.327  14.240   2.885
  120   HD22  LEU  13          HD22      LEU  13   4.783  13.290   3.391
  121   HD23  LEU  13          HD23      LEU  13   4.289  13.343   1.652
  122    H    GLN  14           HN       GLN  14   5.557  14.003   5.484
  123    HA   GLN  14           HA       GLN  14   4.519  14.934   7.149
  124    HB2  GLN  14           HB2      GLN  14   6.879  15.506   7.946
  125    HB3  GLN  14           HB1      GLN  14   6.622  17.138   7.221
  126    HG2  GLN  14           HG2      GLN  14   4.680  17.548   8.639
  127    HG3  GLN  14           HG1      GLN  14   4.735  15.854   9.270
  128   HE21  GLN  14          HE21      GLN  14   5.210  18.766  10.457
  129   HE22  GLN  14          HE22      GLN  14   6.660  18.579  11.384
  130    H    ARG  15           HN       ARG  15   3.050  15.384   5.248
  131    HA   ARG  15           HA       ARG  15   2.248  18.125   5.506
  132    HB2  ARG  15           HB2      ARG  15   3.283  16.971   2.928
  133    HB3  ARG  15           HB1      ARG  15   1.729  17.867   2.818
  134    HG2  ARG  15           HG2      ARG  15   3.226  19.603   2.440
  135    HG3  ARG  15           HG1      ARG  15   3.038  19.724   4.223
  136    HD2  ARG  15           HD2      ARG  15   5.162  17.886   3.991
  137    HD3  ARG  15           HD1      ARG  15   5.466  19.019   2.604
  138    HE   ARG  15           HE       ARG  15   5.479  19.705   5.511
  139   HH11  ARG  15          HH11      ARG  15   5.468  20.785   2.105
  140   HH12  ARG  15          HH12      ARG  15   6.108  22.357   2.443
  141   HH21  ARG  15          HH21      ARG  15   6.349  21.844   5.959
  142   HH22  ARG  15          HH22      ARG  15   6.618  22.969   4.671
  143    H    LYS  16           HN       LYS  16   1.758  15.075   3.704
  144    HA   LYS  16           HA       LYS  16  -1.106  15.313   4.190
  145    HB2  LYS  16           HB2      LYS  16   0.453  13.144   2.661
  146    HB3  LYS  16           HB1      LYS  16  -1.332  13.354   2.680
  147    HG2  LYS  16           HG2      LYS  16  -1.030  15.619   1.581
  148    HG3  LYS  16           HG1      LYS  16   0.735  15.282   1.475
  149    HD2  LYS  16           HD2      LYS  16  -1.434  13.474   0.245
  150    HD3  LYS  16           HD1      LYS  16  -0.602  14.794  -0.649
  151    HE2  LYS  16           HE2      LYS  16   1.623  13.662  -0.203
  152    HE3  LYS  16           HE1      LYS  16   0.741  12.307   0.618
  153    HZ1  LYS  16           HZ1      LYS  16   0.721  13.113  -2.222
  154    HZ2  LYS  16           HZ2      LYS  16  -0.567  12.223  -1.566
  155    HZ3  LYS  16           HZ3      LYS  16   1.009  11.593  -1.523
  156    H    LYS  17           HN       LYS  17   1.605  14.321   5.790
  157    HA   LYS  17           HA       LYS  17   0.267  11.966   6.914
  158    HB2  LYS  17           HB2      LYS  17   3.220  12.541   7.372
  159    HB3  LYS  17           HB1      LYS  17   2.370  10.955   7.313
  160    HG2  LYS  17           HG2      LYS  17   2.944  12.765   4.879
  161    HG3  LYS  17           HG1      LYS  17   3.904  11.325   5.357
  162    HD2  LYS  17           HD2      LYS  17   1.994   9.838   4.960
  163    HD3  LYS  17           HD1      LYS  17   0.896  11.233   4.688
  164    HE2  LYS  17           HE2      LYS  17   2.200  11.878   2.639
  165    HE3  LYS  17           HE1      LYS  17   3.318  10.473   2.916
  166    HZ1  LYS  17           HZ1      LYS  17   1.860   9.126   2.014
  167    HZ2  LYS  17           HZ2      LYS  17   0.967  10.483   1.518
  168    HZ3  LYS  17           HZ3      LYS  17   0.575   9.692   2.969
  Start of MODEL   11
    1    H1   GLU   1           HT1      GLU   1   6.085  14.931 -15.695
    2    H2   GLU   1           HT2      GLU   1   6.513  13.994 -14.345
    3    H3   GLU   1           HT3      GLU   1   6.575  15.690 -14.257
    4    HA   GLU   1           HA       GLU   1   4.038  15.240 -15.015
    5    HB2  GLU   1           HB2      GLU   1   4.968  13.100 -13.022
    6    HB3  GLU   1           HB1      GLU   1   3.241  13.575 -13.196
    7    HG2  GLU   1           HG2      GLU   1   3.212  12.840 -15.561
    8    HG3  GLU   1           HG1      GLU   1   4.986  12.493 -15.511
    9    H    MET   2           HN       MET   2   6.182  15.154 -12.090
   10    HA   MET   2           HA       MET   2   4.638  17.455 -11.133
   11    HB2  MET   2           HB2      MET   2   5.616  15.079  -9.473
   12    HB3  MET   2           HB1      MET   2   5.194  16.676  -8.764
   13    HG2  MET   2           HG2      MET   2   2.871  16.435  -9.757
   14    HG3  MET   2           HG1      MET   2   3.309  14.780 -10.292
   15    HE1  MET   2           HE1      MET   2   3.601  12.608  -7.274
   16    HE2  MET   2           HE2      MET   2   4.982  13.439  -8.066
   17    HE3  MET   2           HE3      MET   2   3.608  12.841  -9.056
   18    H    ARG   3           HN       ARG   3   5.753  18.872  -9.818
   19    HA   ARG   3           HA       ARG   3   8.420  19.190 -10.531
   20    HB2  ARG   3           HB2      ARG   3   6.937  21.100 -10.037
   21    HB3  ARG   3           HB1      ARG   3   6.724  20.444  -8.378
   22    HG2  ARG   3           HG2      ARG   3   9.016  20.877  -7.790
   23    HG3  ARG   3           HG1      ARG   3   9.471  21.232  -9.494
   24    HD2  ARG   3           HD2      ARG   3   9.273  23.359  -8.220
   25    HD3  ARG   3           HD1      ARG   3   7.914  23.260  -9.427
   26    HE   ARG   3           HE       ARG   3   7.086  22.108  -6.897
   27   HH11  ARG   3          HH11      ARG   3   7.853  25.181  -8.523
   28   HH12  ARG   3          HH12      ARG   3   6.789  26.141  -7.552
   29   HH21  ARG   3          HH21      ARG   3   5.638  23.412  -5.572
   30   HH22  ARG   3          HH22      ARG   3   5.509  25.117  -5.843
   31    H    LEU   4           HN       LEU   4   6.702  18.147  -7.716
   32    HA   LEU   4           HA       LEU   4   8.947  17.841  -6.091
   33    HB2  LEU   4           HB2      LEU   4   6.609  15.965  -5.815
   34    HB3  LEU   4           HB1      LEU   4   7.421  16.944  -4.529
   35    HG   LEU   4           HG       LEU   4   5.459  17.960  -6.665
   36   HD11  LEU   4          HD11      LEU   4   3.753  17.628  -5.222
   37   HD12  LEU   4          HD12      LEU   4   4.689  18.256  -3.809
   38   HD13  LEU   4          HD13      LEU   4   4.878  16.533  -4.327
   39   HD21  LEU   4          HD21      LEU   4   7.120  19.424  -4.555
   40   HD22  LEU   4          HD22      LEU   4   5.515  20.070  -5.069
   41   HD23  LEU   4          HD23      LEU   4   6.830  19.842  -6.291
   42    H    SER   5           HN       SER   5   7.227  15.923  -8.499
   43    HA   SER   5           HA       SER   5   7.643  13.959  -9.422
   44    HB2  SER   5           HB2      SER   5   9.920  15.029  -9.947
   45    HB3  SER   5           HB1      SER   5  10.563  14.222  -8.466
   46    HG   SER   5           HG       SER   5  10.486  13.228 -10.809
   47    H    ORN   6           HN       ORN   6  10.303  12.761  -7.508
   48    HA   ORN   6           HA       ORN   6   8.351  11.206  -5.957
   49    HB2  ORN   6           HB1      ORN   6  11.334  10.563  -6.137
   50    HB3  ORN   6           HB2      ORN   6  10.235  10.068  -7.470
   51    HG2  ORN   6           HG1      ORN   6   9.210   8.426  -6.210
   52    HG3  ORN   6           HG2      ORN   6   9.305   9.368  -4.685
   53    HD2  ORN   6           HD2      ORN   6  10.953   7.156  -5.459
   54    HD3  ORN   6           HD1      ORN   6  12.017   8.609  -5.606
   55    H    PHE   7           HN       PHE   7   9.630  14.048  -5.666
   56    HA   PHE   7           HA       PHE   7  11.179  15.011  -4.260
   57    HB2  PHE   7           HB2      PHE   7   9.467  15.687  -2.347
   58    HB3  PHE   7           HB1      PHE   7   9.195  16.210  -4.011
   59    HD1  PHE   7           HD1      PHE   7   7.605  15.157  -1.205
   60    HD2  PHE   7           HD2      PHE   7   7.810  14.276  -5.346
   61    HE1  PHE   7           HE1      PHE   7   5.324  14.400  -1.178
   62    HE2  PHE   7           HE2      PHE   7   5.531  13.503  -5.291
   63    HZ   PHE   7           HZ       PHE   7   4.283  13.584  -3.181
   64    H    PHE   8           HN       PHE   8   9.363  14.138  -1.548
   65    HA   PHE   8           HA       PHE   8  11.532  12.420  -0.653
   66    HB2  PHE   8           HB2      PHE   8  10.274  13.836   1.601
   67    HB3  PHE   8           HB1      PHE   8  12.012  13.940   1.065
   68    HD1  PHE   8           HD1      PHE   8   8.675  15.178   0.710
   69    HD2  PHE   8           HD2      PHE   8  12.720  15.561  -0.401
   70    HE1  PHE   8           HE1      PHE   8   8.142  17.163  -0.552
   71    HE2  PHE   8           HE2      PHE   8  12.186  17.575  -1.622
   72    HZ   PHE   8           HZ       PHE   8   9.860  18.291  -1.715
   73    H    ARG   9           HN       ARG   9   8.685  12.408  -1.859
   74    HA   ARG   9           HA       ARG   9   6.829  11.536  -0.033
   75    HB2  ARG   9           HB2      ARG   9   6.507  12.011  -2.562
   76    HB3  ARG   9           HB1      ARG   9   7.158  10.370  -2.849
   77    HG2  ARG   9           HG2      ARG   9   5.317   9.335  -1.639
   78    HG3  ARG   9           HG1      ARG   9   4.723  10.932  -1.062
   79    HD2  ARG   9           HD2      ARG   9   4.187  11.601  -3.434
   80    HD3  ARG   9           HD1      ARG   9   4.777   9.978  -4.013
   81    HE   ARG   9           HE       ARG   9   2.861   9.448  -1.989
   82   HH11  ARG   9          HH11      ARG   9   3.056  11.090  -5.144
   83   HH12  ARG   9          HH12      ARG   9   1.408  10.782  -5.579
   84   HH21  ARG   9          HH21      ARG   9   0.621   9.029  -2.580
   85   HH22  ARG   9          HH22      ARG   9  -0.001   9.590  -4.096
   86    H    ASN  10           HN       ASN  10   9.575   9.811  -1.550
   87    HA   ASN  10           HA       ASN  10   8.732   7.236  -0.881
   88    HB2  ASN  10           HB2      ASN  10  11.554   8.428  -1.161
   89    HB3  ASN  10           HB1      ASN  10  11.244   6.671  -0.904
   90   HD21  ASN  10          HD21      ASN  10  11.771   9.067  -3.261
   91    H    PHE  11           HN       PHE  11  10.001   9.931   1.030
   92    HA   PHE  11           HA       PHE  11  10.320   8.116   3.306
   93    HB2  PHE  11           HB2      PHE  11  11.076  11.092   2.983
   94    HB3  PHE  11           HB1      PHE  11  11.288  10.137   4.499
   95    HD1  PHE  11           HD1      PHE  11  12.560  10.836   1.152
   96    HD2  PHE  11           HD2      PHE  11  12.976   8.390   4.605
   97    HE1  PHE  11           HE1      PHE  11  14.791  10.153   0.402
   98    HE2  PHE  11           HE2      PHE  11  15.207   7.710   3.850
   99    HZ   PHE  11           HZ       PHE  11  16.116   8.590   1.749
  100    H    ILE  12           HN       ILE  12   9.161  11.599   2.986
  101    HA   ILE  12           HA       ILE  12   6.558  10.873   3.628
  102    HB   ILE  12           HB       ILE  12   6.332  12.316   5.588
  103   HG12  ILE  12          HG12      ILE  12   8.723  12.578   6.851
  104   HG13  ILE  12          HG11      ILE  12   9.284  12.667   5.145
  105   HG21  ILE  12          HG21      ILE  12   7.049  10.718   7.269
  106   HG22  ILE  12          HG22      ILE  12   8.346  10.072   6.194
  107   HG23  ILE  12          HG23      ILE  12   6.609   9.782   5.791
  108   HD11  ILE  12          HD11      ILE  12   8.487  14.799   4.913
  109   HD12  ILE  12          HD12      ILE  12   8.162  14.797   6.689
  110   HD13  ILE  12          HD13      ILE  12   6.855  14.334   5.531
  111    H    LEU  13           HN       LEU  13   5.236  12.587   3.660
  112    HA   LEU  13           HA       LEU  13   5.923  15.153   3.411
  113    HB2  LEU  13           HB2      LEU  13   6.765  14.071   1.052
  114    HB3  LEU  13           HB1      LEU  13   5.046  14.471   0.653
  115    HG   LEU  13           HG       LEU  13   6.694  16.342   0.209
  116   HD11  LEU  13          HD11      LEU  13   5.260  18.120   1.022
  117   HD12  LEU  13          HD12      LEU  13   4.652  17.094   2.379
  118   HD13  LEU  13          HD13      LEU  13   4.199  16.700   0.677
  119   HD21  LEU  13          HD21      LEU  13   7.751  15.617   2.704
  120   HD22  LEU  13          HD22      LEU  13   6.840  17.129   3.094
  121   HD23  LEU  13          HD23      LEU  13   8.123  17.155   1.822
  122    H    GLN  14           HN       GLN  14   4.309  13.706   4.827
  123    HA   GLN  14           HA       GLN  14   1.674  14.246   3.705
  124    HB2  GLN  14           HB2      GLN  14   2.584  12.483   6.048
  125    HB3  GLN  14           HB1      GLN  14   0.863  12.958   5.804
  126    HG2  GLN  14           HG2      GLN  14   0.784  11.852   3.629
  127    HG3  GLN  14           HG1      GLN  14   2.559  11.493   3.687
  128   HE21  GLN  14          HE21      GLN  14   0.254   9.570   3.546
  129   HE22  GLN  14          HE22      GLN  14   0.400   8.547   4.935
  130    H    ARG  15           HN       ARG  15   0.148  14.990   5.688
  131    HA   ARG  15           HA       ARG  15   1.705  17.196   6.808
  132    HB2  ARG  15           HB2      ARG  15  -1.190  16.859   5.962
  133    HB3  ARG  15           HB1      ARG  15  -0.804  18.021   7.283
  134    HG2  ARG  15           HG2      ARG  15  -0.877  19.040   4.943
  135    HG3  ARG  15           HG1      ARG  15   0.636  19.338   5.861
  136    HD2  ARG  15           HD2      ARG  15   1.086  18.753   3.428
  137    HD3  ARG  15           HD1      ARG  15   1.817  17.524   4.549
  138    HE   ARG  15           HE       ARG  15   0.253  15.915   3.741
  139   HH11  ARG  15          HH11      ARG  15  -0.620  19.218   2.688
  140   HH12  ARG  15          HH12      ARG  15  -1.834  18.701   1.564
  141   HH21  ARG  15          HH21      ARG  15  -1.394  15.227   2.210
  142   HH22  ARG  15          HH22      ARG  15  -2.281  16.397   1.290
  143    H    LYS  16           HN       LYS  16   2.362  16.913   8.823
  144    HA   LYS  16           HA       LYS  16   2.449  16.246  10.911
  145    HB2  LYS  16           HB2      LYS  16  -0.557  16.388  10.590
  146    HB3  LYS  16           HB1      LYS  16   0.159  15.705  12.091
  147    HG2  LYS  16           HG2      LYS  16   1.372  18.287  11.175
  148    HG3  LYS  16           HG1      LYS  16  -0.357  18.400  11.671
  149    HD2  LYS  16           HD2      LYS  16   0.727  18.781  13.711
  150    HD3  LYS  16           HD1      LYS  16   0.449  17.007  13.796
  151    HE2  LYS  16           HE2      LYS  16   2.795  16.566  13.074
  152    HE3  LYS  16           HE1      LYS  16   3.083  18.345  12.865
  153    HZ1  LYS  16           HZ1      LYS  16   2.034  17.902  15.420
  154    HZ2  LYS  16           HZ2      LYS  16   3.580  18.445  14.976
  155    HZ3  LYS  16           HZ3      LYS  16   3.287  16.783  15.175
  156    H    LYS  17           HN       LYS  17   3.182  14.488   9.224
  157    HA   LYS  17           HA       LYS  17   1.994  12.065   8.985
  158    HB2  LYS  17           HB2      LYS  17   4.606  11.296   9.255
  159    HB3  LYS  17           HB1      LYS  17   3.993  12.117   7.774
  160    HG2  LYS  17           HG2      LYS  17   5.006  13.816  10.112
  161    HG3  LYS  17           HG1      LYS  17   6.188  13.006   9.024
  162    HD2  LYS  17           HD2      LYS  17   5.786  14.450   7.303
  163    HD3  LYS  17           HD1      LYS  17   4.011  14.399   7.539
  164    HE2  LYS  17           HE2      LYS  17   5.019  16.712   7.873
  165    HE3  LYS  17           HE1      LYS  17   4.160  16.116   9.363
  166    HZ1  LYS  17           HZ1      LYS  17   6.894  16.796   8.966
  167    HZ2  LYS  17           HZ2      LYS  17   6.758  15.208   9.551
  168    HZ3  LYS  17           HZ3      LYS  17   6.041  16.491  10.402
  Start of MODEL   12
    1    H1   GLU   1           HT1      GLU   1   4.772  17.043 -15.097
    2    H2   GLU   1           HT2      GLU   1   4.512  18.275 -13.958
    3    H3   GLU   1           HT3      GLU   1   3.652  18.278 -15.422
    4    HA   GLU   1           HA       GLU   1   2.040  17.316 -14.310
    5    HB2  GLU   1           HB2      GLU   1   4.086  15.036 -14.454
    6    HB3  GLU   1           HB1      GLU   1   2.383  14.777 -13.934
    7    HG2  GLU   1           HG2      GLU   1   1.532  15.541 -16.132
    8    HG3  GLU   1           HG1      GLU   1   3.204  15.973 -16.667
    9    H    MET   2           HN       MET   2   5.177  16.571 -12.654
   10    HA   MET   2           HA       MET   2   3.744  17.050 -10.148
   11    HB2  MET   2           HB2      MET   2   5.807  14.844 -10.676
   12    HB3  MET   2           HB1      MET   2   5.296  15.376  -9.037
   13    HG2  MET   2           HG2      MET   2   2.944  14.716  -9.541
   14    HG3  MET   2           HG1      MET   2   3.432  14.202 -11.187
   15    HE1  MET   2           HE1      MET   2   2.133  12.046 -10.664
   16    HE2  MET   2           HE2      MET   2   1.814  12.566  -8.974
   17    HE3  MET   2           HE3      MET   2   2.468  10.923  -9.300
   18    H    ARG   3           HN       ARG   3   5.124  17.793  -8.426
   19    HA   ARG   3           HA       ARG   3   7.492  19.035  -9.522
   20    HB2  ARG   3           HB2      ARG   3   5.797  20.716  -8.881
   21    HB3  ARG   3           HB1      ARG   3   5.664  19.917  -7.275
   22    HG2  ARG   3           HG2      ARG   3   7.919  20.562  -6.658
   23    HG3  ARG   3           HG1      ARG   3   8.286  21.132  -8.325
   24    HD2  ARG   3           HD2      ARG   3   6.660  22.992  -8.093
   25    HD3  ARG   3           HD1      ARG   3   6.168  22.389  -6.449
   26    HE   ARG   3           HE       ARG   3   8.981  22.716  -6.355
   27   HH11  ARG   3          HH11      ARG   3   6.082  24.683  -6.988
   28   HH12  ARG   3          HH12      ARG   3   6.754  26.153  -6.366
   29   HH21  ARG   3          HH21      ARG   3   9.899  24.715  -5.511
   30   HH22  ARG   3          HH22      ARG   3   8.962  26.170  -5.513
   31    H    LEU   4           HN       LEU   4   5.995  17.797  -6.611
   32    HA   LEU   4           HA       LEU   4   8.394  17.524  -5.205
   33    HB2  LEU   4           HB2      LEU   4   6.090  15.632  -4.746
   34    HB3  LEU   4           HB1      LEU   4   7.079  16.519  -3.520
   35    HG   LEU   4           HG       LEU   4   5.869  18.661  -4.462
   36   HD11  LEU   4          HD11      LEU   4   4.522  16.559  -6.024
   37   HD12  LEU   4          HD12      LEU   4   4.328  18.354  -6.114
   38   HD13  LEU   4          HD13      LEU   4   3.333  17.393  -4.953
   39   HD21  LEU   4          HD21      LEU   4   3.827  18.072  -2.910
   40   HD22  LEU   4          HD22      LEU   4   5.484  18.057  -2.196
   41   HD23  LEU   4          HD23      LEU   4   4.677  16.501  -2.638
   42    H    SER   5           HN       SER   5   6.498  15.603  -7.482
   43    HA   SER   5           HA       SER   5   6.799  13.537  -8.298
   44    HB2  SER   5           HB2      SER   5   9.675  14.622  -8.450
   45    HB3  SER   5           HB1      SER   5   9.140  13.103  -9.276
   46    HG   SER   5           HG       SER   5   8.645  15.753  -9.857
   47    H    ORN   6           HN       ORN   6  10.135  12.990  -7.445
   48    HA   ORN   6           HA       ORN   6   9.214  11.140  -5.370
   49    HB2  ORN   6           HB1      ORN   6  11.892  11.314  -6.891
   50    HB3  ORN   6           HB2      ORN   6  10.624  10.071  -7.150
   51    HG2  ORN   6           HG1      ORN   6  12.211  10.461  -4.527
   52    HG3  ORN   6           HG2      ORN   6  12.593   9.253  -5.796
   53    HD2  ORN   6           HD2      ORN   6   9.748   9.180  -4.775
   54    HD3  ORN   6           HD1      ORN   6  10.889   7.830  -5.160
   55    H    PHE   7           HN       PHE   7   8.839  13.389  -4.275
   56    HA   PHE   7           HA       PHE   7  10.993  14.845  -3.478
   57    HB2  PHE   7           HB2      PHE   7   9.300  15.480  -1.558
   58    HB3  PHE   7           HB1      PHE   7   8.908  15.927  -3.232
   59    HD1  PHE   7           HD1      PHE   7   7.744  14.611  -0.287
   60    HD2  PHE   7           HD2      PHE   7   7.437  14.087  -4.455
   61    HE1  PHE   7           HE1      PHE   7   5.589  13.642   0.004
   62    HE2  PHE   7           HE2      PHE   7   5.239  13.111  -4.157
   63    HZ   PHE   7           HZ       PHE   7   4.326  12.912  -1.888
   64    H    PHE   8           HN       PHE   8   9.228  13.849  -0.670
   65    HA   PHE   8           HA       PHE   8  11.560  12.291   0.137
   66    HB2  PHE   8           HB2      PHE   8  10.309  13.582   2.453
   67    HB3  PHE   8           HB1      PHE   8  11.988  13.855   1.807
   68    HD1  PHE   8           HD1      PHE   8   8.608  14.871   1.863
   69    HD2  PHE   8           HD2      PHE   8  12.385  15.466   0.132
   70    HE1  PHE   8           HE1      PHE   8   7.739  16.781   0.679
   71    HE2  PHE   8           HE2      PHE   8  11.546  17.420  -1.017
   72    HZ   PHE   8           HZ       PHE   8   9.191  18.002  -0.773
   73    H    ARG   9           HN       ARG   9   8.378  12.150  -0.702
   74    HA   ARG   9           HA       ARG   9   7.122  10.869   1.415
   75    HB2  ARG   9           HB2      ARG   9   5.597   9.792  -0.226
   76    HB3  ARG   9           HB1      ARG   9   5.822  11.527  -0.583
   77    HG2  ARG   9           HG2      ARG   9   7.531  10.946  -2.335
   78    HG3  ARG   9           HG1      ARG   9   7.270   9.203  -1.988
   79    HD2  ARG   9           HD2      ARG   9   4.960  11.065  -2.861
   80    HD3  ARG   9           HD1      ARG   9   5.989  10.150  -4.043
   81    HE   ARG   9           HE       ARG   9   3.971   9.010  -2.194
   82   HH11  ARG   9          HH11      ARG   9   6.848   8.468  -4.232
   83   HH12  ARG   9          HH12      ARG   9   6.559   6.775  -4.454
   84   HH21  ARG   9          HH21      ARG   9   3.583   6.708  -2.501
   85   HH22  ARG   9          HH22      ARG   9   4.673   5.761  -3.457
   86    H    ASN  10           HN       ASN  10   9.733   9.716  -0.619
   87    HA   ASN  10           HA       ASN  10   9.092   6.988  -0.405
   88    HB2  ASN  10           HB2      ASN  10  11.786   8.422  -0.786
   89    HB3  ASN  10           HB1      ASN  10  11.604   6.627  -0.821
   90   HD21  ASN  10          HD21      ASN  10  11.804   9.337  -2.809
   91    H    PHE  11           HN       PHE  11  10.091   9.408   1.846
   92    HA   PHE  11           HA       PHE  11  10.682   7.281   3.784
   93    HB2  PHE  11           HB2      PHE  11  11.556  10.245   3.787
   94    HB3  PHE  11           HB1      PHE  11  11.794   9.110   5.169
   95    HD1  PHE  11           HD1      PHE  11  12.947  10.152   1.868
   96    HD2  PHE  11           HD2      PHE  11  13.402   7.292   4.982
   97    HE1  PHE  11           HE1      PHE  11  15.111   9.476   0.936
   98    HE2  PHE  11           HE2      PHE  11  15.564   6.622   4.046
   99    HZ   PHE  11           HZ       PHE  11  16.422   7.712   2.024
  100    H    ILE  12           HN       ILE  12   9.608  10.799   3.837
  101    HA   ILE  12           HA       ILE  12   7.040  10.322   4.427
  102    HB   ILE  12           HB       ILE  12   6.927  10.073   6.634
  103   HG12  ILE  12          HG12      ILE  12   6.980  12.620   6.485
  104   HG13  ILE  12          HG11      ILE  12   7.270  11.890   8.084
  105   HG21  ILE  12          HG21      ILE  12   9.143  10.086   8.078
  106   HG22  ILE  12          HG22      ILE  12   9.991  10.195   6.493
  107   HG23  ILE  12          HG23      ILE  12   8.921   8.786   6.853
  108   HD11  ILE  12          HD11      ILE  12   8.862  13.861   6.871
  109   HD12  ILE  12          HD12      ILE  12   9.790  12.349   6.536
  110   HD13  ILE  12          HD13      ILE  12   9.377  12.796   8.237
  111    H    LEU  13           HN       LEU  13   6.055  12.332   4.296
  112    HA   LEU  13           HA       LEU  13   7.981  14.440   3.737
  113    HB2  LEU  13           HB2      LEU  13   6.793  15.017   1.843
  114    HB3  LEU  13           HB1      LEU  13   6.434  13.256   1.921
  115    HG   LEU  13           HG       LEU  13   4.577  15.175   3.334
  116   HD11  LEU  13          HD11      LEU  13   3.770  16.224   1.487
  117   HD12  LEU  13          HD12      LEU  13   3.840  14.723   0.491
  118   HD13  LEU  13          HD13      LEU  13   5.327  15.744   0.692
  119   HD21  LEU  13          HD21      LEU  13   4.403  12.622   3.449
  120   HD22  LEU  13          HD22      LEU  13   4.057  12.639   1.673
  121   HD23  LEU  13          HD23      LEU  13   2.925  13.454   2.817
  122    H    GLN  14           HN       GLN  14   5.247  13.341   5.569
  123    HA   GLN  14           HA       GLN  14   4.009  14.203   7.155
  124    HB2  GLN  14           HB2      GLN  14   5.027  15.520   8.901
  125    HB3  GLN  14           HB1      GLN  14   6.223  14.329   8.299
  126    HG2  GLN  14           HG2      GLN  14   7.397  16.070   6.999
  127    HG3  GLN  14           HG1      GLN  14   6.139  17.296   7.436
  128   HE21  GLN  14          HE21      GLN  14   6.417  18.449   9.307
  129   HE22  GLN  14          HE22      GLN  14   7.555  18.074  10.555
  130    H    ARG  15           HN       ARG  15   4.147  15.851   4.453
  131    HA   ARG  15           HA       ARG  15   2.933  18.235   5.609
  132    HB2  ARG  15           HB2      ARG  15   4.327  17.661   3.002
  133    HB3  ARG  15           HB1      ARG  15   2.901  18.753   2.909
  134    HG2  ARG  15           HG2      ARG  15   4.708  20.241   3.214
  135    HG3  ARG  15           HG1      ARG  15   4.013  20.084   4.862
  136    HD2  ARG  15           HD2      ARG  15   5.809  18.470   5.508
  137    HD3  ARG  15           HD1      ARG  15   6.492  18.528   3.825
  138    HE   ARG  15           HE       ARG  15   6.715  20.634   5.905
  139   HH11  ARG  15          HH11      ARG  15   6.922  19.755   2.454
  140   HH12  ARG  15          HH12      ARG  15   7.954  21.077   2.025
  141   HH21  ARG  15          HH21      ARG  15   8.116  22.424   5.316
  142   HH22  ARG  15          HH22      ARG  15   8.645  22.618   3.679
  143    H    LYS  16           HN       LYS  16   2.318  15.213   4.089
  144    HA   LYS  16           HA       LYS  16  -0.449  16.064   3.646
  145    HB2  LYS  16           HB2      LYS  16  -0.345  15.082   1.579
  146    HB3  LYS  16           HB1      LYS  16   1.378  14.685   1.875
  147    HG2  LYS  16           HG2      LYS  16   0.723  12.538   2.955
  148    HG3  LYS  16           HG1      LYS  16  -1.016  12.936   2.723
  149    HD2  LYS  16           HD2      LYS  16  -0.382  11.415   0.957
  150    HD3  LYS  16           HD1      LYS  16  -0.592  13.038   0.215
  151    HE2  LYS  16           HE2      LYS  16   1.884  13.377   0.195
  152    HE3  LYS  16           HE1      LYS  16   2.120  11.775   1.009
  153    HZ1  LYS  16           HZ1      LYS  16   2.301  11.103  -1.086
  154    HZ2  LYS  16           HZ2      LYS  16   1.433  12.407  -1.740
  155    HZ3  LYS  16           HZ3      LYS  16   0.603  11.089  -1.063
  156    H    LYS  17           HN       LYS  17   1.761  14.404   5.581
  157    HA   LYS  17           HA       LYS  17  -0.157  12.349   6.338
  158    HB2  LYS  17           HB2      LYS  17   2.603  12.886   7.578
  159    HB3  LYS  17           HB1      LYS  17   1.615  11.390   7.722
  160    HG2  LYS  17           HG2      LYS  17   2.896  12.452   5.128
  161    HG3  LYS  17           HG1      LYS  17   3.543  11.123   6.149
  162    HD2  LYS  17           HD2      LYS  17   1.471   9.787   5.736
  163    HD3  LYS  17           HD1      LYS  17   0.798  11.120   4.737
  164    HE2  LYS  17           HE2      LYS  17   2.690  10.868   3.108
  165    HE3  LYS  17           HE1      LYS  17   3.373   9.521   4.115
  166    HZ1  LYS  17           HZ1      LYS  17   0.596   9.170   3.506
  167    HZ2  LYS  17           HZ2      LYS  17   1.915   8.126   3.276
  168    HZ3  LYS  17           HZ3      LYS  17   1.551   9.306   2.109
  Start of MODEL   13
    1    H1   GLU   1           HT1      GLU   1   2.655  16.326 -14.985
    2    H2   GLU   1           HT2      GLU   1   3.675  15.375 -15.958
    3    H3   GLU   1           HT3      GLU   1   3.195  16.917 -16.485
    4    HA   GLU   1           HA       GLU   1   5.501  16.362 -15.282
    5    HB2  GLU   1           HB2      GLU   1   5.726  18.830 -14.946
    6    HB3  GLU   1           HB1      GLU   1   4.963  18.443 -16.529
    7    HG2  GLU   1           HG2      GLU   1   2.678  18.878 -15.515
    8    HG3  GLU   1           HG1      GLU   1   3.480  19.345 -13.965
    9    H    MET   2           HN       MET   2   6.542  16.816 -13.208
   10    HA   MET   2           HA       MET   2   4.628  17.082 -11.011
   11    HB2  MET   2           HB2      MET   2   6.945  15.083 -11.190
   12    HB3  MET   2           HB1      MET   2   6.135  15.540  -9.651
   13    HG2  MET   2           HG2      MET   2   3.973  14.679 -10.490
   14    HG3  MET   2           HG1      MET   2   4.712  14.286 -12.075
   15    HE1  MET   2           HE1      MET   2   3.838  10.833 -10.518
   16    HE2  MET   2           HE2      MET   2   3.577  12.022 -11.841
   17    HE3  MET   2           HE3      MET   2   2.979  12.376 -10.184
   18    H    ARG   3           HN       ARG   3   5.636  17.823  -9.016
   19    HA   ARG   3           HA       ARG   3   7.980  19.382  -9.661
   20    HB2  ARG   3           HB2      ARG   3   5.991  20.803  -9.221
   21    HB3  ARG   3           HB1      ARG   3   5.760  19.923  -7.671
   22    HG2  ARG   3           HG2      ARG   3   7.854  20.806  -6.770
   23    HG3  ARG   3           HG1      ARG   3   8.285  21.546  -8.354
   24    HD2  ARG   3           HD2      ARG   3   6.305  23.076  -8.188
   25    HD3  ARG   3           HD1      ARG   3   5.864  22.336  -6.589
   26    HE   ARG   3           HE       ARG   3   8.124  24.189  -7.124
   27   HH11  ARG   3          HH11      ARG   3   6.622  21.778  -4.968
   28   HH12  ARG   3          HH12      ARG   3   7.450  22.311  -3.545
   29   HH21  ARG   3          HH21      ARG   3   9.245  24.911  -5.187
   30   HH22  ARG   3          HH22      ARG   3   8.965  24.122  -3.672
   31    H    LEU   4           HN       LEU   4   6.216  17.890  -7.023
   32    HA   LEU   4           HA       LEU   4   8.468  17.748  -5.355
   33    HB2  LEU   4           HB2      LEU   4   6.250  15.709  -5.162
   34    HB3  LEU   4           HB1      LEU   4   7.032  16.645  -3.830
   35    HG   LEU   4           HG       LEU   4   5.792  18.713  -4.899
   36   HD11  LEU   4          HD11      LEU   4   4.773  16.526  -6.598
   37   HD12  LEU   4          HD12      LEU   4   4.484  18.307  -6.725
   38   HD13  LEU   4          HD13      LEU   4   3.420  17.290  -5.679
   39   HD21  LEU   4          HD21      LEU   4   5.240  17.985  -2.674
   40   HD22  LEU   4          HD22      LEU   4   4.473  16.462  -3.270
   41   HD23  LEU   4          HD23      LEU   4   3.669  18.054  -3.561
   42    H    SER   5           HN       SER   5   6.933  15.793  -7.854
   43    HA   SER   5           HA       SER   5   7.493  13.901  -8.838
   44    HB2  SER   5           HB2      SER   5  10.331  14.644  -7.907
   45    HB3  SER   5           HB1      SER   5   9.976  13.245  -9.000
   46    HG   SER   5           HG       SER   5   9.720  16.008  -9.432
   47    H    ORN   6           HN       ORN   6  10.240  12.974  -6.856
   48    HA   ORN   6           HA       ORN   6   8.461  11.068  -5.497
   49    HB2  ORN   6           HB1      ORN   6  11.509  10.848  -5.705
   50    HB3  ORN   6           HB2      ORN   6  10.450  10.225  -7.016
   51    HG2  ORN   6           HG1      ORN   6   9.762   8.408  -5.789
   52    HG3  ORN   6           HG2      ORN   6   9.675   9.332  -4.252
   53    HD2  ORN   6           HD2      ORN   6  11.729   7.477  -5.102
   54    HD3  ORN   6           HD1      ORN   6  12.490   9.117  -5.074
   55    H    PHE   7           HN       PHE   7   9.402  14.022  -5.010
   56    HA   PHE   7           HA       PHE   7  10.797  15.054  -3.496
   57    HB2  PHE   7           HB2      PHE   7   8.978  15.401  -1.585
   58    HB3  PHE   7           HB1      PHE   7   8.723  16.051  -3.205
   59    HD1  PHE   7           HD1      PHE   7   7.108  14.701  -0.570
   60    HD2  PHE   7           HD2      PHE   7   7.579  14.063  -4.745
   61    HE1  PHE   7           HE1      PHE   7   4.902  13.754  -0.709
   62    HE2  PHE   7           HE2      PHE   7   5.380  13.093  -4.839
   63    HZ   PHE   7           HZ       PHE   7   4.038  12.951  -2.794
   64    H    PHE   8           HN       PHE   8   8.995  13.780  -0.908
   65    HA   PHE   8           HA       PHE   8  11.335  12.268  -0.074
   66    HB2  PHE   8           HB2      PHE   8   9.961  13.452   2.238
   67    HB3  PHE   8           HB1      PHE   8  11.679  13.737   1.707
   68    HD1  PHE   8           HD1      PHE   8   8.240  14.683   1.402
   69    HD2  PHE   8           HD2      PHE   8  12.233  15.487   0.328
   70    HE1  PHE   8           HE1      PHE   8   7.527  16.677   0.244
   71    HE2  PHE   8           HE2      PHE   8  11.517  17.504  -0.792
   72    HZ   PHE   8           HZ       PHE   8   9.135  18.010  -0.859
   73    H    ARG   9           HN       ARG   9   8.322  12.072  -1.151
   74    HA   ARG   9           HA       ARG   9   6.848  10.813   0.824
   75    HB2  ARG   9           HB2      ARG   9   5.506   9.752  -0.982
   76    HB3  ARG   9           HB1      ARG   9   5.782  11.491  -1.300
   77    HG2  ARG   9           HG2      ARG   9   7.634  10.926  -2.878
   78    HG3  ARG   9           HG1      ARG   9   7.385   9.178  -2.550
   79    HD2  ARG   9           HD2      ARG   9   5.177  11.026  -3.697
   80    HD3  ARG   9           HD1      ARG   9   6.282   9.997  -4.712
   81    HE   ARG   9           HE       ARG   9   5.137   8.301  -2.719
   82   HH11  ARG   9          HH11      ARG   9   4.164  10.333  -5.477
   83   HH12  ARG   9          HH12      ARG   9   2.789   9.371  -5.902
   84   HH21  ARG   9          HH21      ARG   9   3.264   6.987  -3.296
   85   HH22  ARG   9          HH22      ARG   9   2.269   7.435  -4.640
   86    H    ASN  10           HN       ASN  10   9.683   9.672  -0.906
   87    HA   ASN  10           HA       ASN  10   9.126   6.932  -0.688
   88    HB2  ASN  10           HB2      ASN  10  11.786   8.475  -0.687
   89    HB3  ASN  10           HB1      ASN  10  11.705   6.676  -0.619
   90   HD21  ASN  10          HD21      ASN  10  12.203   9.218  -2.721
   91    H    PHE  11           HN       PHE  11  10.066   9.470   1.591
   92    HA   PHE  11           HA       PHE  11  10.425   7.431   3.660
   93    HB2  PHE  11           HB2      PHE  11  10.858  10.489   3.765
   94    HB3  PHE  11           HB1      PHE  11  11.149   9.348   5.133
   95    HD1  PHE  11           HD1      PHE  11  12.431  10.743   2.034
   96    HD2  PHE  11           HD2      PHE  11  12.999   7.741   4.990
   97    HE1  PHE  11           HE1      PHE  11  14.740  10.431   1.275
   98    HE2  PHE  11           HE2      PHE  11  15.308   7.432   4.229
   99    HZ   PHE  11           HZ       PHE  11  16.180   8.775   2.370
  100    H    ILE  12           HN       ILE  12   8.821  10.739   3.309
  101    HA   ILE  12           HA       ILE  12   6.306   9.769   3.686
  102    HB   ILE  12           HB       ILE  12   6.022  11.233   5.885
  103   HG12  ILE  12          HG12      ILE  12   7.751  10.653   7.557
  104   HG13  ILE  12          HG11      ILE  12   8.761   9.919   6.271
  105   HG21  ILE  12          HG21      ILE  12   5.575   8.635   5.181
  106   HG22  ILE  12          HG22      ILE  12   5.333   9.245   6.858
  107   HG23  ILE  12          HG23      ILE  12   6.849   8.372   6.430
  108   HD11  ILE  12          HD11      ILE  12   7.836  12.827   6.003
  109   HD12  ILE  12          HD12      ILE  12   9.299  12.027   5.313
  110   HD13  ILE  12          HD13      ILE  12   9.230  12.419   7.073
  111    H    LEU  13           HN       LEU  13   4.835  11.376   3.970
  112    HA   LEU  13           HA       LEU  13   5.108  14.002   3.997
  113    HB2  LEU  13           HB2      LEU  13   6.499  13.288   1.686
  114    HB3  LEU  13           HB1      LEU  13   4.848  13.655   1.075
  115    HG   LEU  13           HG       LEU  13   6.313  15.653   1.115
  116   HD11  LEU  13          HD11      LEU  13   4.728  17.193   2.300
  117   HD12  LEU  13          HD12      LEU  13   3.951  15.762   3.080
  118   HD13  LEU  13          HD13      LEU  13   3.876  15.965   1.288
  119   HD21  LEU  13          HD21      LEU  13   7.045  14.625   3.720
  120   HD22  LEU  13          HD22      LEU  13   6.290  16.246   3.965
  121   HD23  LEU  13          HD23      LEU  13   7.704  16.075   2.864
  122    H    GLN  14           HN       GLN  14   3.385  12.251   4.895
  123    HA   GLN  14           HA       GLN  14   1.041  12.663   3.175
  124    HB2  GLN  14           HB2      GLN  14   0.122  10.533   3.805
  125    HB3  GLN  14           HB1      GLN  14   1.829  10.208   3.344
  126    HG2  GLN  14           HG2      GLN  14   2.459  10.330   5.826
  127    HG3  GLN  14           HG1      GLN  14   0.692  10.426   6.208
  128   HE21  GLN  14          HE21      GLN  14  -0.431   8.530   6.386
  129   HE22  GLN  14          HE22      GLN  14   0.119   6.983   5.840
  130    H    ARG  15           HN       ARG  15   2.591  13.706   5.897
  131    HA   ARG  15           HA       ARG  15   0.056  13.974   7.319
  132    HB2  ARG  15           HB2      ARG  15   2.637  14.393   8.822
  133    HB3  ARG  15           HB1      ARG  15   1.057  13.780   9.422
  134    HG2  ARG  15           HG2      ARG  15   2.440  11.892   9.540
  135    HG3  ARG  15           HG1      ARG  15   1.585  11.655   7.975
  136    HD2  ARG  15           HD2      ARG  15   3.499  12.197   6.684
  137    HD3  ARG  15           HD1      ARG  15   4.285  13.118   8.033
  138    HE   ARG  15           HE       ARG  15   4.314  10.175   7.649
  139   HH11  ARG  15          HH11      ARG  15   4.757  12.941   9.857
  140   HH12  ARG  15          HH12      ARG  15   5.788  12.090  10.959
  141   HH21  ARG  15          HH21      ARG  15   5.713   9.025   9.150
  142   HH22  ARG  15          HH22      ARG  15   6.340   9.830  10.549
  143    H    LYS  16           HN       LYS  16   1.522  15.873   9.201
  144    HA   LYS  16           HA       LYS  16   0.983  18.244   7.795
  145    HB2  LYS  16           HB2      LYS  16   2.047  19.389   9.738
  146    HB3  LYS  16           HB1      LYS  16   0.892  18.131  10.293
  147    HG2  LYS  16           HG2      LYS  16   2.820  16.547  10.600
  148    HG3  LYS  16           HG1      LYS  16   3.944  17.864  10.116
  149    HD2  LYS  16           HD2      LYS  16   3.190  19.243  12.034
  150    HD3  LYS  16           HD1      LYS  16   2.001  17.973  12.501
  151    HE2  LYS  16           HE2      LYS  16   3.861  16.352  12.856
  152    HE3  LYS  16           HE1      LYS  16   5.062  17.626  12.390
  153    HZ1  LYS  16           HZ1      LYS  16   4.812  18.668  14.332
  154    HZ2  LYS  16           HZ2      LYS  16   4.285  17.148  14.876
  155    HZ3  LYS  16           HZ3      LYS  16   3.151  18.344  14.465
  156    H    LYS  17           HN       LYS  17   3.529  16.023   7.751
  157    HA   LYS  17           HA       LYS  17   5.754  17.638   7.464
  158    HB2  LYS  17           HB2      LYS  17   5.001  14.900   6.309
  159    HB3  LYS  17           HB1      LYS  17   6.555  15.688   5.863
  160    HG2  LYS  17           HG2      LYS  17   5.662  14.984   8.724
  161    HG3  LYS  17           HG1      LYS  17   6.832  14.052   7.728
  162    HD2  LYS  17           HD2      LYS  17   8.321  15.322   8.969
  163    HD3  LYS  17           HD1      LYS  17   8.080  16.442   7.584
  164    HE2  LYS  17           HE2      LYS  17   7.062  18.033   8.899
  165    HE3  LYS  17           HE1      LYS  17   6.063  16.808   9.788
  166    HZ1  LYS  17           HZ1      LYS  17   8.888  17.594  10.275
  167    HZ2  LYS  17           HZ2      LYS  17   8.175  16.216  10.967
  168    HZ3  LYS  17           HZ3      LYS  17   7.548  17.758  11.303
  Start of MODEL   14
    1    H1   GLU   1           HT1      GLU   1   5.032  15.140 -16.477
    2    H2   GLU   1           HT2      GLU   1   5.536  14.821 -14.887
    3    H3   GLU   1           HT3      GLU   1   5.951  16.291 -15.631
    4    HA   GLU   1           HA       GLU   1   3.917  17.187 -15.404
    5    HB2  GLU   1           HB2      GLU   1   1.811  15.867 -15.144
    6    HB3  GLU   1           HB1      GLU   1   2.716  15.384 -16.621
    7    HG2  GLU   1           HG2      GLU   1   3.684  13.405 -15.366
    8    HG3  GLU   1           HG1      GLU   1   2.700  13.868 -13.922
    9    H    MET   2           HN       MET   2   6.021  16.232 -13.409
   10    HA   MET   2           HA       MET   2   4.288  16.560 -11.073
   11    HB2  MET   2           HB2      MET   2   6.665  14.641 -11.326
   12    HB3  MET   2           HB1      MET   2   5.958  15.160  -9.756
   13    HG2  MET   2           HG2      MET   2   3.715  14.238 -10.548
   14    HG3  MET   2           HG1      MET   2   4.553  13.571 -11.986
   15    HE1  MET   2           HE1      MET   2   6.661  10.745 -10.992
   16    HE2  MET   2           HE2      MET   2   7.405  12.377 -10.900
   17    HE3  MET   2           HE3      MET   2   6.170  12.024 -12.157
   18    H    ARG   3           HN       ARG   3   5.366  17.518  -9.247
   19    HA   ARG   3           HA       ARG   3   7.645  19.057 -10.135
   20    HB2  ARG   3           HB2      ARG   3   5.671  20.499  -9.749
   21    HB3  ARG   3           HB1      ARG   3   5.471  19.735  -8.134
   22    HG2  ARG   3           HG2      ARG   3   7.535  20.712  -7.311
   23    HG3  ARG   3           HG1      ARG   3   7.997  21.287  -8.953
   24    HD2  ARG   3           HD2      ARG   3   6.106  22.893  -8.971
   25    HD3  ARG   3           HD1      ARG   3   5.523  22.264  -7.366
   26    HE   ARG   3           HE       ARG   3   8.232  23.008  -6.982
   27   HH11  ARG   3          HH11      ARG   3   5.163  24.504  -7.997
   28   HH12  ARG   3          HH12      ARG   3   5.543  26.074  -7.373
   29   HH21  ARG   3          HH21      ARG   3   8.750  25.142  -6.133
   30   HH22  ARG   3          HH22      ARG   3   7.618  26.443  -6.295
   31    H    LEU   4           HN       LEU   4   6.005  17.718  -7.344
   32    HA   LEU   4           HA       LEU   4   8.275  17.805  -5.710
   33    HB2  LEU   4           HB2      LEU   4   6.163  15.676  -5.354
   34    HB3  LEU   4           HB1      LEU   4   6.925  16.722  -4.093
   35    HG   LEU   4           HG       LEU   4   5.573  18.668  -5.243
   36   HD11  LEU   4          HD11      LEU   4   3.257  17.103  -5.914
   37   HD12  LEU   4          HD12      LEU   4   4.628  16.355  -6.816
   38   HD13  LEU   4          HD13      LEU   4   4.260  18.114  -7.026
   39   HD21  LEU   4          HD21      LEU   4   4.319  16.442  -3.517
   40   HD22  LEU   4          HD22      LEU   4   3.525  18.038  -3.824
   41   HD23  LEU   4          HD23      LEU   4   5.113  17.969  -2.965
   42    H    SER   5           HN       SER   5   6.837  15.599  -8.052
   43    HA   SER   5           HA       SER   5   7.523  13.689  -8.916
   44    HB2  SER   5           HB2      SER   5   9.612  15.084  -9.478
   45    HB3  SER   5           HB1      SER   5  10.378  14.388  -8.000
   46    HG   SER   5           HG       SER   5  10.668  13.342 -10.161
   47    H    ORN   6           HN       ORN   6  10.348  12.924  -7.048
   48    HA   ORN   6           HA       ORN   6   8.679  11.123  -5.436
   49    HB2  ORN   6           HB1      ORN   6  11.711  10.889  -5.736
   50    HB3  ORN   6           HB2      ORN   6  10.636  10.248  -7.025
   51    HG2  ORN   6           HG1      ORN   6   9.996   8.443  -5.774
   52    HG3  ORN   6           HG2      ORN   6   9.824   9.411  -4.271
   53    HD2  ORN   6           HD2      ORN   6  11.938   7.567  -4.958
   54    HD3  ORN   6           HD1      ORN   6  12.676   9.218  -4.981
   55    H    PHE   7           HN       PHE   7   9.332  14.070  -5.076
   56    HA   PHE   7           HA       PHE   7  10.900  15.211  -3.685
   57    HB2  PHE   7           HB2      PHE   7   9.039  15.802  -1.908
   58    HB3  PHE   7           HB1      PHE   7   8.767  16.193  -3.617
   59    HD1  PHE   7           HD1      PHE   7   7.344  14.997  -0.774
   60    HD2  PHE   7           HD2      PHE   7   7.567  14.150  -4.894
   61    HE1  PHE   7           HE1      PHE   7   5.193  13.935  -0.661
   62    HE2  PHE   7           HE2      PHE   7   5.397  13.085  -4.788
   63    HZ   PHE   7           HZ       PHE   7   4.213  12.993  -2.637
   64    H    PHE   8           HN       PHE   8   8.980  14.211  -1.060
   65    HA   PHE   8           HA       PHE   8  11.272  12.795   0.050
   66    HB2  PHE   8           HB2      PHE   8   9.589  14.051   2.131
   67    HB3  PHE   8           HB1      PHE   8  11.354  14.345   1.806
   68    HD1  PHE   8           HD1      PHE   8   8.024  15.446   1.339
   69    HD2  PHE   8           HD2      PHE   8  12.011  15.840   0.069
   70    HE1  PHE   8           HE1      PHE   8   7.379  17.297  -0.018
   71    HE2  PHE   8           HE2      PHE   8  11.380  17.755  -1.254
   72    HZ   PHE   8           HZ       PHE   8   9.037  18.408  -1.321
   73    H    ARG   9           HN       ARG   9   8.589  12.405  -1.400
   74    HA   ARG   9           HA       ARG   9   6.708  11.208   0.204
   75    HB2  ARG   9           HB2      ARG   9   6.603  11.731  -2.342
   76    HB3  ARG   9           HB1      ARG   9   7.481  10.195  -2.580
   77    HG2  ARG   9           HG2      ARG   9   5.669   8.901  -1.603
   78    HG3  ARG   9           HG1      ARG   9   4.820  10.389  -1.058
   79    HD2  ARG   9           HD2      ARG   9   3.684   9.582  -3.087
   80    HD3  ARG   9           HD1      ARG   9   4.628  11.066  -3.563
   81    HE   ARG   9           HE       ARG   9   6.294   8.739  -3.929
   82   HH11  ARG   9          HH11      ARG   9   3.366  10.322  -5.195
   83   HH12  ARG   9          HH12      ARG   9   3.561   9.739  -6.813
   84   HH21  ARG   9          HH21      ARG   9   6.563   7.944  -6.130
   85   HH22  ARG   9          HH22      ARG   9   5.412   8.363  -7.354
   86    H    ASN  10           HN       ASN  10   9.789   9.911  -1.116
   87    HA   ASN  10           HA       ASN  10   9.212   7.228  -0.652
   88    HB2  ASN  10           HB2      ASN  10  11.879   8.751  -0.598
   89    HB3  ASN  10           HB1      ASN  10  11.768   6.961  -0.417
   90   HD21  ASN  10          HD21      ASN  10  12.223   9.478  -2.652
   91    H    PHE  11           HN       PHE  11  10.002   9.907   1.547
   92    HA   PHE  11           HA       PHE  11  10.425   7.982   3.689
   93    HB2  PHE  11           HB2      PHE  11  10.428  11.068   3.715
   94    HB3  PHE  11           HB1      PHE  11  10.751  10.025   5.153
   95    HD1  PHE  11           HD1      PHE  11  12.084  11.436   2.076
   96    HD2  PHE  11           HD2      PHE  11  12.796   8.685   5.239
   97    HE1  PHE  11           HE1      PHE  11  14.467  11.392   1.505
   98    HE2  PHE  11           HE2      PHE  11  15.178   8.644   4.664
   99    HZ   PHE  11           HZ       PHE  11  16.016   9.997   2.797
  100    H    ILE  12           HN       ILE  12   8.397  11.016   3.263
  101    HA   ILE  12           HA       ILE  12   5.993   9.675   3.557
  102    HB   ILE  12           HB       ILE  12   5.571  11.179   5.810
  103   HG12  ILE  12          HG12      ILE  12   7.265  10.333   7.502
  104   HG13  ILE  12          HG11      ILE  12   8.329   9.851   6.139
  105   HG21  ILE  12          HG21      ILE  12   4.749   8.858   5.170
  106   HG22  ILE  12          HG22      ILE  12   5.177   9.041   6.912
  107   HG23  ILE  12          HG23      ILE  12   6.302   8.187   5.795
  108   HD11  ILE  12          HD11      ILE  12   8.786  12.171   7.244
  109   HD12  ILE  12          HD12      ILE  12   7.276  12.735   6.437
  110   HD13  ILE  12          HD13      ILE  12   8.665  12.149   5.445
  111    H    LEU  13           HN       LEU  13   8.002  12.512   3.842
  112    HA   LEU  13           HA       LEU  13   7.812  14.425   2.844
  113    HB2  LEU  13           HB2      LEU  13   6.508  14.488   0.980
  114    HB3  LEU  13           HB1      LEU  13   5.563  13.093   1.591
  115    HG   LEU  13           HG       LEU  13   4.854  15.727   2.848
  116   HD11  LEU  13          HD11      LEU  13   3.988  16.862   1.026
  117   HD12  LEU  13          HD12      LEU  13   3.839  15.376   0.016
  118   HD13  LEU  13          HD13      LEU  13   5.462  16.132   0.276
  119   HD21  LEU  13          HD21      LEU  13   3.626  13.635   3.286
  120   HD22  LEU  13          HD22      LEU  13   3.260  13.454   1.529
  121   HD23  LEU  13          HD23      LEU  13   2.556  14.835   2.461
  122    H    GLN  14           HN       GLN  14   5.633  13.160   5.232
  123    HA   GLN  14           HA       GLN  14   5.006  14.021   7.156
  124    HB2  GLN  14           HB2      GLN  14   7.305  15.492   6.710
  125    HB3  GLN  14           HB1      GLN  14   6.077  16.802   6.778
  126    HG2  GLN  14           HG2      GLN  14   5.341  16.096   9.011
  127    HG3  GLN  14           HG1      GLN  14   6.372  14.609   8.925
  128   HE21  GLN  14          HE21      GLN  14   8.438  14.749   9.722
  129   HE22  GLN  14          HE22      GLN  14   9.287  16.219  10.058
  130    H    ARG  15           HN       ARG  15   4.304  16.874   7.659
  131    HA   ARG  15           HA       ARG  15   2.674  18.291   7.324
  132    HB2  ARG  15           HB2      ARG  15   2.714  17.153   4.513
  133    HB3  ARG  15           HB1      ARG  15   1.345  18.201   5.021
  134    HG2  ARG  15           HG2      ARG  15   2.932  19.659   3.987
  135    HG3  ARG  15           HG1      ARG  15   3.084  19.942   5.756
  136    HD2  ARG  15           HD2      ARG  15   4.935  17.785   5.030
  137    HD3  ARG  15           HD1      ARG  15   5.180  19.174   3.885
  138    HE   ARG  15           HE       ARG  15   5.661  19.181   6.819
  139   HH11  ARG  15          HH11      ARG  15   5.152  21.047   3.819
  140   HH12  ARG  15          HH12      ARG  15   5.948  22.474   4.392
  141   HH21  ARG  15          HH21      ARG  15   6.743  21.122   7.590
  142   HH22  ARG  15          HH22      ARG  15   6.867  22.517   6.572
  143    H    LYS  16           HN       LYS  16   1.270  15.710   5.317
  144    HA   LYS  16           HA       LYS  16  -1.109  15.720   6.783
  145    HB2  LYS  16           HB2      LYS  16  -0.937  14.834   4.436
  146    HB3  LYS  16           HB1      LYS  16   0.119  13.515   5.044
  147    HG2  LYS  16           HG2      LYS  16  -1.726  12.591   6.396
  148    HG3  LYS  16           HG1      LYS  16  -2.790  13.971   5.944
  149    HD2  LYS  16           HD2      LYS  16  -3.341  11.997   4.575
  150    HD3  LYS  16           HD1      LYS  16  -2.644  13.291   3.537
  151    HE2  LYS  16           HE2      LYS  16  -0.423  12.145   3.554
  152    HE3  LYS  16           HE1      LYS  16  -1.086  10.857   4.648
  153    HZ1  LYS  16           HZ1      LYS  16  -1.161  10.965   1.885
  154    HZ2  LYS  16           HZ2      LYS  16  -2.763  11.197   2.397
  155    HZ3  LYS  16           HZ3      LYS  16  -1.897   9.830   2.910
  156    H    LYS  17           HN       LYS  17   1.961  14.037   6.996
  157    HA   LYS  17           HA       LYS  17   0.987  12.141   8.921
  158    HB2  LYS  17           HB2      LYS  17   3.622  12.765   7.575
  159    HB3  LYS  17           HB1      LYS  17   3.706  11.990   9.195
  160    HG2  LYS  17           HG2      LYS  17   3.722  10.149   7.753
  161    HG3  LYS  17           HG1      LYS  17   1.987  10.266   8.215
  162    HD2  LYS  17           HD2      LYS  17   1.924  11.849   6.000
  163    HD3  LYS  17           HD1      LYS  17   3.338  10.835   5.560
  164    HE2  LYS  17           HE2      LYS  17   0.544   9.761   6.349
  165    HE3  LYS  17           HE1      LYS  17   1.209   9.866   4.665
  166    HZ1  LYS  17           HZ1      LYS  17   1.459   7.788   6.404
  167    HZ2  LYS  17           HZ2      LYS  17   2.981   8.539   6.478
  168    HZ3  LYS  17           HZ3      LYS  17   2.355   8.035   4.982
  Start of MODEL   15
    1    H1   GLU   1           HT1      GLU   1   6.213  13.758 -17.319
    2    H2   GLU   1           HT2      GLU   1   5.153  13.406 -16.038
    3    H3   GLU   1           HT3      GLU   1   6.831  13.443 -15.769
    4    HA   GLU   1           HA       GLU   1   6.956  15.731 -16.034
    5    HB2  GLU   1           HB2      GLU   1   5.369  15.817 -18.003
    6    HB3  GLU   1           HB1      GLU   1   3.996  15.613 -16.860
    7    HG2  GLU   1           HG2      GLU   1   4.556  17.787 -15.751
    8    HG3  GLU   1           HG1      GLU   1   5.978  17.992 -16.848
    9    H    MET   2           HN       MET   2   7.324  15.619 -13.765
   10    HA   MET   2           HA       MET   2   4.885  16.110 -12.219
   11    HB2  MET   2           HB2      MET   2   7.236  14.321 -11.399
   12    HB3  MET   2           HB1      MET   2   5.972  14.920 -10.271
   13    HG2  MET   2           HG2      MET   2   4.217  13.715 -11.531
   14    HG3  MET   2           HG1      MET   2   5.416  13.185 -12.752
   15    HE1  MET   2           HE1      MET   2   4.312  11.828  -8.635
   16    HE2  MET   2           HE2      MET   2   4.302  13.483  -9.335
   17    HE3  MET   2           HE3      MET   2   5.742  12.898  -8.432
   18    H    ARG   3           HN       ARG   3   5.288  17.277 -10.226
   19    HA   ARG   3           HA       ARG   3   7.580  18.976 -10.607
   20    HB2  ARG   3           HB2      ARG   3   5.411  20.164 -10.572
   21    HB3  ARG   3           HB1      ARG   3   5.017  19.334  -9.028
   22    HG2  ARG   3           HG2      ARG   3   5.703  21.662  -8.590
   23    HG3  ARG   3           HG1      ARG   3   6.892  20.512  -7.889
   24    HD2  ARG   3           HD2      ARG   3   8.451  20.904  -9.806
   25    HD3  ARG   3           HD1      ARG   3   7.233  22.014 -10.581
   26    HE   ARG   3           HE       ARG   3   7.634  23.013  -7.965
   27   HH11  ARG   3          HH11      ARG   3   9.572  22.291 -10.866
   28   HH12  ARG   3          HH12      ARG   3  10.731  23.549 -10.594
   29   HH21  ARG   3          HH21      ARG   3   9.212  24.725  -7.594
   30   HH22  ARG   3          HH22      ARG   3  10.522  24.955  -8.702
   31    H    LEU   4           HN       LEU   4   5.679  17.399  -8.116
   32    HA   LEU   4           HA       LEU   4   7.628  17.721  -6.131
   33    HB2  LEU   4           HB2      LEU   4   5.773  15.342  -6.129
   34    HB3  LEU   4           HB1      LEU   4   6.194  16.447  -4.762
   35    HG   LEU   4           HG       LEU   4   4.807  18.239  -6.084
   36   HD11  LEU   4          HD11      LEU   4   3.878  17.594  -8.065
   37   HD12  LEU   4          HD12      LEU   4   2.829  16.451  -7.140
   38   HD13  LEU   4          HD13      LEU   4   4.401  15.880  -7.815
   39   HD21  LEU   4          HD21      LEU   4   2.648  17.295  -5.030
   40   HD22  LEU   4          HD22      LEU   4   4.070  17.440  -3.926
   41   HD23  LEU   4          HD23      LEU   4   3.606  15.826  -4.594
   42    H    SER   5           HN       SER   5   6.875  15.397  -8.676
   43    HA   SER   5           HA       SER   5   7.859  13.474  -9.267
   44    HB2  SER   5           HB2      SER   5   9.489  15.259 -10.128
   45    HB3  SER   5           HB1      SER   5  10.477  14.976  -8.644
   46    HG   SER   5           HG       SER   5  10.913  13.776 -10.716
   47    H    ORN   6           HN       ORN   6  10.878  13.667  -7.574
   48    HA   ORN   6           HA       ORN   6   9.863  11.683  -5.679
   49    HB2  ORN   6           HB1      ORN   6  12.745  12.433  -6.481
   50    HB3  ORN   6           HB2      ORN   6  11.867  10.962  -7.020
   51    HG2  ORN   6           HG1      ORN   6  12.621  11.622  -4.099
   52    HG3  ORN   6           HG2      ORN   6  13.528  10.518  -5.183
   53    HD2  ORN   6           HD2      ORN   6  10.594   9.877  -4.936
   54    HD3  ORN   6           HD1      ORN   6  12.036   8.787  -4.901
   55    H    PHE   7           HN       PHE   7   8.769  13.797  -4.808
   56    HA   PHE   7           HA       PHE   7  10.350  15.645  -3.572
   57    HB2  PHE   7           HB2      PHE   7   8.107  16.068  -2.274
   58    HB3  PHE   7           HB1      PHE   7   8.120  16.323  -4.031
   59    HD1  PHE   7           HD1      PHE   7   6.339  15.130  -1.417
   60    HD2  PHE   7           HD2      PHE   7   7.402  14.062  -5.349
   61    HE1  PHE   7           HE1      PHE   7   4.322  13.864  -1.605
   62    HE2  PHE   7           HE2      PHE   7   5.368  12.755  -5.534
   63    HZ   PHE   7           HZ       PHE   7   3.827  12.677  -3.627
   64    H    PHE   8           HN       PHE   8   8.144  14.658  -1.197
   65    HA   PHE   8           HA       PHE   8  10.361  13.476   0.292
   66    HB2  PHE   8           HB2      PHE   8   8.217  14.518   2.013
   67    HB3  PHE   8           HB1      PHE   8   9.941  15.084   1.925
   68    HD1  PHE   8           HD1      PHE   8   6.577  15.549   0.820
   69    HD2  PHE   8           HD2      PHE   8  10.608  16.665   0.320
   70    HE1  PHE   8           HE1      PHE   8   5.896  17.240  -0.720
   71    HE2  PHE   8           HE2      PHE   8   9.913  18.414  -1.189
   72    HZ   PHE   8           HZ       PHE   8   7.549  18.616  -1.729
   73    H    ARG   9           HN       ARG   9   7.810  12.691  -1.471
   74    HA   ARG   9           HA       ARG   9   6.079  11.219   0.096
   75    HB2  ARG   9           HB2      ARG   9   5.940  11.728  -2.443
   76    HB3  ARG   9           HB1      ARG   9   7.039  10.343  -2.672
   77    HG2  ARG   9           HG2      ARG   9   5.406   8.817  -1.632
   78    HG3  ARG   9           HG1      ARG   9   4.313  10.194  -1.259
   79    HD2  ARG   9           HD2      ARG   9   4.071  10.658  -3.745
   80    HD3  ARG   9           HD1      ARG   9   5.106   9.202  -4.088
   81    HE   ARG   9           HE       ARG   9   2.303   9.193  -3.118
   82   HH11  ARG   9          HH11      ARG   9   5.380   7.423  -3.482
   83   HH12  ARG   9          HH12      ARG   9   4.657   5.850  -3.404
   84   HH21  ARG   9          HH21      ARG   9   1.330   7.056  -3.012
   85   HH22  ARG   9          HH22      ARG   9   2.319   5.639  -3.133
   86    H    ASN  10           HN       ASN  10   9.354  10.446  -1.108
   87    HA   ASN  10           HA       ASN  10   9.194   7.694  -0.700
   88    HB2  ASN  10           HB2      ASN  10  11.596   9.607  -0.517
   89    HB3  ASN  10           HB1      ASN  10  11.738   7.810  -0.463
   90   HD21  ASN  10          HD21      ASN  10  11.944  10.481  -2.505
   91    H    PHE  11           HN       PHE  11   9.375  10.419   1.543
   92    HA   PHE  11           HA       PHE  11  10.049   8.550   3.688
   93    HB2  PHE  11           HB2      PHE  11   9.689  11.615   3.738
   94    HB3  PHE  11           HB1      PHE  11  10.128  10.598   5.164
   95    HD1  PHE  11           HD1      PHE  11  11.299  12.216   2.126
   96    HD2  PHE  11           HD2      PHE  11  12.322   9.513   5.245
   97    HE1  PHE  11           HE1      PHE  11  13.673  12.480   1.578
   98    HE2  PHE  11           HE2      PHE  11  14.696   9.780   4.693
   99    HZ   PHE  11           HZ       PHE  11  15.373  11.262   2.860
  100    H    ILE  12           HN       ILE  12   7.684  11.297   3.087
  101    HA   ILE  12           HA       ILE  12   5.495   9.599   3.579
  102    HB   ILE  12           HB       ILE  12   4.924  11.591   5.483
  103   HG12  ILE  12          HG12      ILE  12   6.674  10.889   7.288
  104   HG13  ILE  12          HG11      ILE  12   7.722  10.408   5.922
  105   HG21  ILE  12          HG21      ILE  12   5.314   8.571   5.435
  106   HG22  ILE  12          HG22      ILE  12   3.822   9.549   5.723
  107   HG23  ILE  12          HG23      ILE  12   5.065   9.394   7.023
  108   HD11  ILE  12          HD11      ILE  12   6.444  13.189   5.898
  109   HD12  ILE  12          HD12      ILE  12   7.990  12.628   5.151
  110   HD13  ILE  12          HD13      ILE  12   7.889  12.875   6.935
  111    H    LEU  13           HN       LEU  13   6.761  12.915   3.714
  112    HA   LEU  13           HA       LEU  13   6.346  14.562   2.321
  113    HB2  LEU  13           HB2      LEU  13   5.514  14.044   0.260
  114    HB3  LEU  13           HB1      LEU  13   4.838  12.519   0.919
  115    HG   LEU  13           HG       LEU  13   3.070  13.684  -0.161
  116   HD11  LEU  13          HD11      LEU  13   2.080  14.630   2.460
  117   HD12  LEU  13          HD12      LEU  13   2.823  12.988   2.547
  118   HD13  LEU  13          HD13      LEU  13   1.481  13.311   1.386
  119   HD21  LEU  13          HD21      LEU  13   2.978  16.221   1.387
  120   HD22  LEU  13          HD22      LEU  13   2.862  15.925  -0.389
  121   HD23  LEU  13          HD23      LEU  13   4.483  16.034   0.401
  122    H    GLN  14           HN       GLN  14   4.131  13.091   4.533
  123    HA   GLN  14           HA       GLN  14   2.413  15.375   4.580
  124    HB2  GLN  14           HB2      GLN  14   2.485  12.710   5.829
  125    HB3  GLN  14           HB1      GLN  14   2.100  13.981   7.033
  126    HG2  GLN  14           HG2      GLN  14   0.629  14.193   4.402
  127    HG3  GLN  14           HG1      GLN  14   0.204  12.773   5.446
  128   HE21  GLN  14          HE21      GLN  14  -1.927  13.880   5.693
  129   HE22  GLN  14          HE22      GLN  14  -2.100  15.131   6.877
  130    H    ARG  15           HN       ARG  15   2.010  16.274   7.030
  131    HA   ARG  15           HA       ARG  15   4.687  17.140   7.823
  132    HB2  ARG  15           HB2      ARG  15   1.995  18.553   7.765
  133    HB3  ARG  15           HB1      ARG  15   3.239  19.069   8.956
  134    HG2  ARG  15           HG2      ARG  15   3.384  20.491   6.967
  135    HG3  ARG  15           HG1      ARG  15   4.861  19.481   7.094
  136    HD2  ARG  15           HD2      ARG  15   3.894  19.685   4.709
  137    HD3  ARG  15           HD1      ARG  15   4.067  17.974   5.291
  138    HE   ARG  15           HE       ARG  15   1.701  17.782   5.320
  139   HH11  ARG  15          HH11      ARG  15   2.718  21.183   4.937
  140   HH12  ARG  15          HH12      ARG  15   1.133  21.774   4.564
  141   HH21  ARG  15          HH21      ARG  15  -0.450  18.594   4.812
  142   HH22  ARG  15          HH22      ARG  15  -0.696  20.277   4.492
  143    H    LYS  16           HN       LYS  16   1.759  15.536   8.741
  144    HA   LYS  16           HA       LYS  16   2.837  15.376  11.471
  145    HB2  LYS  16           HB2      LYS  16   0.418  14.864  12.151
  146    HB3  LYS  16           HB1      LYS  16   0.765  16.573  11.720
  147    HG2  LYS  16           HG2      LYS  16  -0.551  16.524   9.847
  148    HG3  LYS  16           HG1      LYS  16  -0.042  14.855   9.410
  149    HD2  LYS  16           HD2      LYS  16  -1.911  15.391  11.783
  150    HD3  LYS  16           HD1      LYS  16  -2.537  15.259  10.101
  151    HE2  LYS  16           HE2      LYS  16  -1.561  12.971   9.890
  152    HE3  LYS  16           HE1      LYS  16  -0.863  13.098  11.559
  153    HZ1  LYS  16           HZ1      LYS  16  -2.827  12.690  12.460
  154    HZ2  LYS  16           HZ2      LYS  16  -3.272  12.091  10.934
  155    HZ3  LYS  16           HZ3      LYS  16  -3.691  13.675  11.380
  156    H    LYS  17           HN       LYS  17   2.110  13.911   8.555
  157    HA   LYS  17           HA       LYS  17   1.468  11.815   7.931
  158    HB2  LYS  17           HB2      LYS  17   3.328  10.132   8.532
  159    HB3  LYS  17           HB1      LYS  17   3.847  11.639   7.699
  160    HG2  LYS  17           HG2      LYS  17   3.833  11.958  10.651
  161    HG3  LYS  17           HG1      LYS  17   4.849  10.576  10.136
  162    HD2  LYS  17           HD2      LYS  17   6.048  12.824  10.333
  163    HD3  LYS  17           HD1      LYS  17   6.255  11.967   8.775
  164    HE2  LYS  17           HE2      LYS  17   4.712  13.485   7.625
  165    HE3  LYS  17           HE1      LYS  17   4.159  14.195   9.206
  166    HZ1  LYS  17           HZ1      LYS  17   6.034  15.250   7.675
  167    HZ2  LYS  17           HZ2      LYS  17   7.021  14.283   8.672
  168    HZ3  LYS  17           HZ3      LYS  17   5.985  15.437   9.366
  Start of MODEL   16
    1    H1   GLU   1           HT1      GLU   1   5.776  15.406 -15.985
    2    H2   GLU   1           HT2      GLU   1   6.600  15.541 -14.505
    3    H3   GLU   1           HT3      GLU   1   7.000  16.570 -15.797
    4    HA   GLU   1           HA       GLU   1   5.636  18.039 -14.961
    5    HB2  GLU   1           HB2      GLU   1   3.601  15.858 -15.688
    6    HB3  GLU   1           HB1      GLU   1   3.113  17.519 -15.198
    7    HG2  GLU   1           HG2      GLU   1   4.300  18.506 -17.139
    8    HG3  GLU   1           HG1      GLU   1   4.947  16.884 -17.607
    9    H    MET   2           HN       MET   2   6.831  17.144 -12.804
   10    HA   MET   2           HA       MET   2   4.622  16.775 -10.923
   11    HB2  MET   2           HB2      MET   2   7.311  15.307 -10.887
   12    HB3  MET   2           HB1      MET   2   6.219  15.428  -9.464
   13    HG2  MET   2           HG2      MET   2   4.387  14.346 -10.867
   14    HG3  MET   2           HG1      MET   2   5.598  14.082 -12.162
   15    HE1  MET   2           HE1      MET   2   7.422  12.719 -12.236
   16    HE2  MET   2           HE2      MET   2   7.982  11.469 -11.072
   17    HE3  MET   2           HE3      MET   2   8.312  13.206 -10.751
   18    H    ARG   3           HN       ARG   3   5.102  17.534  -8.777
   19    HA   ARG   3           HA       ARG   3   7.133  19.583  -8.895
   20    HB2  ARG   3           HB2      ARG   3   4.824  20.474  -8.670
   21    HB3  ARG   3           HB1      ARG   3   4.616  19.421  -7.228
   22    HG2  ARG   3           HG2      ARG   3   6.309  20.637  -5.982
   23    HG3  ARG   3           HG1      ARG   3   6.793  21.580  -7.437
   24    HD2  ARG   3           HD2      ARG   3   3.974  21.694  -6.192
   25    HD3  ARG   3           HD1      ARG   3   5.307  22.869  -5.812
   26    HE   ARG   3           HE       ARG   3   5.056  22.744  -8.655
   27   HH11  ARG   3          HH11      ARG   3   3.180  23.680  -5.775
   28   HH12  ARG   3          HH12      ARG   3   2.264  24.911  -6.580
   29   HH21  ARG   3          HH21      ARG   3   3.812  24.419  -9.751
   30   HH22  ARG   3          HH22      ARG   3   2.630  25.336  -8.880
   31    H    LEU   4           HN       LEU   4   5.400  17.458  -6.728
   32    HA   LEU   4           HA       LEU   4   7.340  17.587  -4.710
   33    HB2  LEU   4           HB2      LEU   4   5.631  15.134  -5.089
   34    HB3  LEU   4           HB1      LEU   4   5.963  16.049  -3.562
   35    HG   LEU   4           HG       LEU   4   4.487  17.928  -4.706
   36   HD11  LEU   4          HD11      LEU   4   4.252  15.747  -6.677
   37   HD12  LEU   4          HD12      LEU   4   3.594  17.430  -6.747
   38   HD13  LEU   4          HD13      LEU   4   2.638  16.117  -5.960
   39   HD21  LEU   4          HD21      LEU   4   3.682  17.003  -2.687
   40   HD22  LEU   4          HD22      LEU   4   3.569  15.334  -3.368
   41   HD23  LEU   4          HD23      LEU   4   2.364  16.590  -3.849
   42    H    SER   5           HN       SER   5   6.698  15.643  -7.594
   43    HA   SER   5           HA       SER   5   7.806  13.936  -8.514
   44    HB2  SER   5           HB2      SER   5   9.474  15.879  -8.868
   45    HB3  SER   5           HB1      SER   5  10.363  15.266  -7.421
   46    HG   SER   5           HG       SER   5  10.980  14.535  -9.629
   47    H    ORN   6           HN       ORN   6  10.732  13.622  -6.760
   48    HA   ORN   6           HA       ORN   6   9.472  11.523  -5.154
   49    HB2  ORN   6           HB1      ORN   6  12.492  11.971  -5.472
   50    HB3  ORN   6           HB2      ORN   6  11.564  10.974  -6.646
   51    HG2  ORN   6           HG1      ORN   6  11.633   9.186  -5.251
   52    HG3  ORN   6           HG2      ORN   6  10.853  10.133  -3.940
   53    HD2  ORN   6           HD2      ORN   6  13.718   9.345  -4.284
   54    HD3  ORN   6           HD1      ORN   6  13.508  11.096  -3.884
   55    H    PHE   7           HN       PHE   7   8.594  13.613  -4.090
   56    HA   PHE   7           HA       PHE   7  10.094  15.296  -2.667
   57    HB2  PHE   7           HB2      PHE   7   7.926  15.261  -1.138
   58    HB3  PHE   7           HB1      PHE   7   7.793  15.812  -2.822
   59    HD1  PHE   7           HD1      PHE   7   6.448  13.762  -0.349
   60    HD2  PHE   7           HD2      PHE   7   7.105  13.955  -4.503
   61    HE1  PHE   7           HE1      PHE   7   4.584  12.304  -0.692
   62    HE2  PHE   7           HE2      PHE   7   5.203  12.503  -4.861
   63    HZ   PHE   7           HZ       PHE   7   3.940  11.684  -2.919
   64    H    PHE   8           HN       PHE   8   8.127  13.633  -0.411
   65    HA   PHE   8           HA       PHE   8  10.549  12.611   0.856
   66    HB2  PHE   8           HB2      PHE   8   8.235  12.978   2.695
   67    HB3  PHE   8           HB1      PHE   8   9.889  13.734   2.805
   68    HD1  PHE   8           HD1      PHE   8   6.541  14.052   1.818
   69    HD2  PHE   8           HD2      PHE   8  10.409  15.640   1.428
   70    HE1  PHE   8           HE1      PHE   8   5.629  15.911   0.600
   71    HE2  PHE   8           HE2      PHE   8   9.499  17.551   0.262
   72    HZ   PHE   8           HZ       PHE   8   7.109  17.617  -0.192
   73    H    ARG   9           HN       ARG   9   8.144  11.794  -1.078
   74    HA   ARG   9           HA       ARG   9   6.715   9.760   0.119
   75    HB2  ARG   9           HB2      ARG   9   6.338   8.812  -2.134
   76    HB3  ARG   9           HB1      ARG   9   6.134  10.585  -2.131
   77    HG2  ARG   9           HG2      ARG   9   8.465  10.851  -3.034
   78    HG3  ARG   9           HG1      ARG   9   8.626   9.062  -3.087
   79    HD2  ARG   9           HD2      ARG   9   6.432  10.645  -4.603
   80    HD3  ARG   9           HD1      ARG   9   7.996  10.075  -5.338
   81    HE   ARG   9           HE       ARG   9   6.784   7.810  -4.099
   82   HH11  ARG   9          HH11      ARG   9   6.152  10.180  -6.681
   83   HH12  ARG   9          HH12      ARG   9   5.220   9.097  -7.661
   84   HH21  ARG   9          HH21      ARG   9   5.516   6.334  -5.430
   85   HH22  ARG   9          HH22      ARG   9   4.852   6.872  -6.936
   86    H    ASN  10           HN       ASN  10  10.125   9.844  -0.567
   87    HA   ASN  10           HA       ASN  10  10.384   7.048  -0.934
   88    HB2  ASN  10           HB2      ASN  10  12.374   9.195   0.016
   89    HB3  ASN  10           HB1      ASN  10  12.824   7.462  -0.188
   90   HD21  ASN  10          HD21      ASN  10  12.752  10.504  -1.730
   91    H    PHE  11           HN       PHE  11   9.438   9.056   1.688
   92    HA   PHE  11           HA       PHE  11   9.941   6.819   3.516
   93    HB2  PHE  11           HB2      PHE  11  11.281   9.084   3.967
   94    HB3  PHE  11           HB1      PHE  11   9.674   9.713   4.489
   95    HD1  PHE  11           HD1      PHE  11  11.845   6.697   5.025
   96    HD2  PHE  11           HD2      PHE  11   9.224   9.586   6.715
   97    HE1  PHE  11           HE1      PHE  11  12.210   5.734   7.248
   98    HE2  PHE  11           HE2      PHE  11   9.591   8.618   8.935
   99    HZ   PHE  11           HZ       PHE  11  11.085   6.692   9.204
  100    H    ILE  12           HN       ILE  12   7.942   9.914   3.184
  101    HA   ILE  12           HA       ILE  12   5.541   8.497   3.056
  102    HB   ILE  12           HB       ILE  12   4.612   9.722   5.142
  103   HG12  ILE  12          HG12      ILE  12   6.924   9.228   6.800
  104   HG13  ILE  12          HG11      ILE  12   7.463  10.277   5.442
  105   HG21  ILE  12          HG21      ILE  12   4.545   7.686   6.247
  106   HG22  ILE  12          HG22      ILE  12   6.289   7.331   5.952
  107   HG23  ILE  12          HG23      ILE  12   5.088   7.129   4.620
  108   HD11  ILE  12          HD11      ILE  12   6.181  12.055   6.098
  109   HD12  ILE  12          HD12      ILE  12   6.307  11.254   7.713
  110   HD13  ILE  12          HD13      ILE  12   4.831  11.020   6.699
  111    H    LEU  13           HN       LEU  13   4.957  11.282   4.786
  112    HA   LEU  13           HA       LEU  13   5.609  13.430   3.490
  113    HB2  LEU  13           HB2      LEU  13   5.067  13.223   1.232
  114    HB3  LEU  13           HB1      LEU  13   4.145  11.720   1.541
  115    HG   LEU  13           HG       LEU  13   2.953  14.409   2.327
  116   HD11  LEU  13          HD11      LEU  13   2.106  14.861   0.150
  117   HD12  LEU  13          HD12      LEU  13   2.617  13.252  -0.487
  118   HD13  LEU  13          HD13      LEU  13   3.863  14.504  -0.088
  119   HD21  LEU  13          HD21      LEU  13   2.142  11.621   2.332
  120   HD22  LEU  13          HD22      LEU  13   1.084  12.518   1.163
  121   HD23  LEU  13          HD23      LEU  13   1.217  13.075   2.878
  122    H    GLN  14           HN       GLN  14   3.208  11.250   4.646
  123    HA   GLN  14           HA       GLN  14   1.122  11.552   5.443
  124    HB2  GLN  14           HB2      GLN  14   3.150  11.810   7.311
  125    HB3  GLN  14           HB1      GLN  14   2.143  13.249   7.661
  126    HG2  GLN  14           HG2      GLN  14   0.119  11.841   7.921
  127    HG3  GLN  14           HG1      GLN  14   1.072  10.364   7.488
  128   HE21  GLN  14          HE21      GLN  14  -0.001  10.007   9.836
  129   HE22  GLN  14          HE22      GLN  14   1.066  10.327  11.160
  130    H    ARG  15           HN       ARG  15   2.169  14.739   6.760
  131    HA   ARG  15           HA       ARG  15   0.069  15.868   5.072
  132    HB2  ARG  15           HB2      ARG  15   0.482  16.132   8.074
  133    HB3  ARG  15           HB1      ARG  15  -0.267  17.482   7.151
  134    HG2  ARG  15           HG2      ARG  15  -2.060  16.131   8.057
  135    HG3  ARG  15           HG1      ARG  15  -2.012  15.858   6.281
  136    HD2  ARG  15           HD2      ARG  15  -1.070  13.647   6.516
  137    HD3  ARG  15           HD1      ARG  15  -0.562  13.945   8.236
  138    HE   ARG  15           HE       ARG  15  -3.274  13.218   7.280
  139   HH11  ARG  15          HH11      ARG  15  -1.270  14.632   9.868
  140   HH12  ARG  15          HH12      ARG  15  -2.408  14.313  11.133
  141   HH21  ARG  15          HH21      ARG  15  -4.819  12.787   9.001
  142   HH22  ARG  15          HH22      ARG  15  -4.459  13.247  10.632
  143    H    LYS  16           HN       LYS  16   2.067  17.346   7.607
  144    HA   LYS  16           HA       LYS  16   2.903  19.349   5.743
  145    HB2  LYS  16           HB2      LYS  16   4.095  20.353   7.658
  146    HB3  LYS  16           HB1      LYS  16   2.419  19.919   8.133
  147    HG2  LYS  16           HG2      LYS  16   3.267  17.801   9.156
  148    HG3  LYS  16           HG1      LYS  16   4.941  18.267   8.707
  149    HD2  LYS  16           HD2      LYS  16   4.770  20.302  10.125
  150    HD3  LYS  16           HD1      LYS  16   3.075  19.871  10.553
  151    HE2  LYS  16           HE2      LYS  16   3.863  17.740  11.576
  152    HE3  LYS  16           HE1      LYS  16   5.571  18.162  11.146
  153    HZ1  LYS  16           HZ1      LYS  16   5.470  20.037  12.565
  154    HZ2  LYS  16           HZ2      LYS  16   4.900  18.701  13.445
  155    HZ3  LYS  16           HZ3      LYS  16   3.806  19.852  12.843
  156    H    LYS  17           HN       LYS  17   3.915  16.231   6.386
  157    HA   LYS  17           HA       LYS  17   6.708  16.663   6.510
  158    HB2  LYS  17           HB2      LYS  17   4.902  14.270   6.127
  159    HB3  LYS  17           HB1      LYS  17   6.543  14.134   5.419
  160    HG2  LYS  17           HG2      LYS  17   7.237  13.466   7.458
  161    HG3  LYS  17           HG1      LYS  17   7.080  15.189   7.959
  162    HD2  LYS  17           HD2      LYS  17   5.190  12.840   8.459
  163    HD3  LYS  17           HD1      LYS  17   5.869  14.025   9.622
  164    HE2  LYS  17           HE2      LYS  17   4.402  15.824   8.484
  165    HE3  LYS  17           HE1      LYS  17   3.596  14.472   7.571
  166    HZ1  LYS  17           HZ1      LYS  17   3.086  13.456   9.724
  167    HZ2  LYS  17           HZ2      LYS  17   2.403  15.009   9.557
  168    HZ3  LYS  17           HZ3      LYS  17   3.775  14.789  10.531
  Start of MODEL   17
    1    H1   GLU   1           HT1      GLU   1   5.410  16.246 -16.940
    2    H2   GLU   1           HT2      GLU   1   5.360  15.620 -15.364
    3    H3   GLU   1           HT3      GLU   1   6.639  16.633 -15.835
    4    HA   GLU   1           HA       GLU   1   5.419  18.511 -15.753
    5    HB2  GLU   1           HB2      GLU   1   2.929  18.588 -15.901
    6    HB3  GLU   1           HB1      GLU   1   3.642  17.719 -17.305
    7    HG2  GLU   1           HG2      GLU   1   3.141  15.506 -16.175
    8    HG3  GLU   1           HG1      GLU   1   2.361  16.402 -14.813
    9    H    MET   2           HN       MET   2   6.258  16.398 -13.672
   10    HA   MET   2           HA       MET   2   4.650  17.567 -11.510
   11    HB2  MET   2           HB2      MET   2   5.682  14.679 -11.708
   12    HB3  MET   2           HB1      MET   2   5.066  15.427 -10.196
   13    HG2  MET   2           HG2      MET   2   2.824  15.706 -11.181
   14    HG3  MET   2           HG1      MET   2   3.409  15.153 -12.781
   15    HE1  MET   2           HE1      MET   2   2.518  12.799  -8.930
   16    HE2  MET   2           HE2      MET   2   2.628  14.570  -9.216
   17    HE3  MET   2           HE3      MET   2   4.127  13.595  -9.023
   18    H    ARG   3           HN       ARG   3   5.732  17.997  -9.628
   19    HA   ARG   3           HA       ARG   3   8.578  17.844  -9.996
   20    HB2  ARG   3           HB2      ARG   3   8.848  19.670  -8.528
   21    HB3  ARG   3           HB1      ARG   3   7.605  20.109  -9.759
   22    HG2  ARG   3           HG2      ARG   3   5.813  19.470  -8.113
   23    HG3  ARG   3           HG1      ARG   3   7.091  19.176  -6.881
   24    HD2  ARG   3           HD2      ARG   3   7.846  21.558  -7.089
   25    HD3  ARG   3           HD1      ARG   3   6.529  21.855  -8.306
   26    HE   ARG   3           HE       ARG   3   5.364  20.708  -5.928
   27   HH11  ARG   3          HH11      ARG   3   6.967  23.652  -7.132
   28   HH12  ARG   3          HH12      ARG   3   6.152  24.726  -6.046
   29   HH21  ARG   3          HH21      ARG   3   4.253  22.169  -4.452
   30   HH22  ARG   3          HH22      ARG   3   4.583  23.868  -4.496
   31    H    LEU   4           HN       LEU   4   5.888  16.781  -8.165
   32    HA   LEU   4           HA       LEU   4   7.700  15.904  -6.097
   33    HB2  LEU   4           HB2      LEU   4   5.087  14.733  -5.767
   34    HB3  LEU   4           HB1      LEU   4   5.928  15.902  -4.692
   35    HG   LEU   4           HG       LEU   4   5.054  17.780  -6.129
   36   HD11  LEU   4          HD11      LEU   4   2.797  16.460  -7.373
   37   HD12  LEU   4          HD12      LEU   4   4.287  15.571  -7.879
   38   HD13  LEU   4          HD13      LEU   4   4.153  17.351  -8.170
   39   HD21  LEU   4          HD21      LEU   4   3.889  17.410  -4.091
   40   HD22  LEU   4          HD22      LEU   4   3.180  15.846  -4.662
   41   HD23  LEU   4          HD23      LEU   4   2.577  17.414  -5.335
   42    H    SER   5           HN       SER   5   8.690  14.859  -8.052
   43    HA   SER   5           HA       SER   5   7.362  12.400  -8.750
   44    HB2  SER   5           HB2      SER   5   9.720  11.858  -9.841
   45    HB3  SER   5           HB1      SER   5   8.735  13.173 -10.596
   46    HG   SER   5           HG       SER   5  10.517  14.217 -10.289
   47    H    ORN   6           HN       ORN   6  10.738  13.016  -7.516
   48    HA   ORN   6           HA       ORN   6  10.150  11.010  -5.438
   49    HB2  ORN   6           HB1      ORN   6  12.870  11.725  -6.711
   50    HB3  ORN   6           HB2      ORN   6  12.004  10.165  -6.920
   51    HG2  ORN   6           HG1      ORN   6  12.941  11.229  -4.173
   52    HG3  ORN   6           HG2      ORN   6  13.951  10.182  -5.222
   53    HD2  ORN   6           HD2      ORN   6  11.196   9.084  -4.788
   54    HD3  ORN   6           HD1      ORN   6  12.809   8.279  -4.634
   55    H    PHE   7           HN       PHE   7   9.106  12.937  -4.493
   56    HA   PHE   7           HA       PHE   7  10.801  15.094  -3.801
   57    HB2  PHE   7           HB2      PHE   7   8.599  15.649  -2.416
   58    HB3  PHE   7           HB1      PHE   7   8.561  15.789  -4.187
   59    HD1  PHE   7           HD1      PHE   7   6.882  14.632  -1.413
   60    HD2  PHE   7           HD2      PHE   7   7.846  13.561  -5.352
   61    HE1  PHE   7           HE1      PHE   7   4.902  13.293  -1.501
   62    HE2  PHE   7           HE2      PHE   7   5.844  12.214  -5.472
   63    HZ   PHE   7           HZ       PHE   7   4.359  12.096  -3.507
   64    H    PHE   8           HN       PHE   8   8.619  14.270  -1.311
   65    HA   PHE   8           HA       PHE   8  10.868  13.276   0.273
   66    HB2  PHE   8           HB2      PHE   8   8.565  14.237   1.868
   67    HB3  PHE   8           HB1      PHE   8  10.262  14.893   1.863
   68    HD1  PHE   8           HD1      PHE   8   6.946  15.278   0.820
   69    HD2  PHE   8           HD2      PHE   8  10.939  16.327   0.017
   70    HE1  PHE   8           HE1      PHE   8   6.180  16.863  -0.817
   71    HE2  PHE   8           HE2      PHE   8  10.182  17.960  -1.590
   72    HZ   PHE   8           HZ       PHE   8   7.793  18.136  -2.046
   73    H    ARG   9           HN       ARG   9   8.495  12.374  -1.621
   74    HA   ARG   9           HA       ARG   9   6.676  10.799  -0.311
   75    HB2  ARG   9           HB2      ARG   9   7.012  11.316  -2.892
   76    HB3  ARG   9           HB1      ARG   9   7.994   9.824  -2.870
   77    HG2  ARG   9           HG2      ARG   9   6.097   8.488  -2.098
   78    HG3  ARG   9           HG1      ARG   9   5.090   9.957  -1.863
   79    HD2  ARG   9           HD2      ARG   9   4.431   8.833  -3.987
   80    HD3  ARG   9           HD1      ARG   9   5.246  10.404  -4.391
   81    HE   ARG   9           HE       ARG   9   7.076   9.186  -5.290
   82   HH11  ARG   9          HH11      ARG   9   4.861   7.049  -3.485
   83   HH12  ARG   9          HH12      ARG   9   5.598   5.578  -4.026
   84   HH21  ARG   9          HH21      ARG   9   8.072   7.186  -6.019
   85   HH22  ARG   9          HH22      ARG   9   7.453   5.658  -5.489
   86    H    ASN  10           HN       ASN  10  10.118  10.196  -0.933
   87    HA   ASN  10           HA       ASN  10   9.934   7.418  -0.569
   88    HB2  ASN  10           HB2      ASN  10  12.270   9.394  -0.311
   89    HB3  ASN  10           HB1      ASN  10  12.468   7.616  -0.073
   90   HD21  ASN  10          HD21      ASN  10  12.260  10.207  -2.444
   91    H    PHE  11           HN       PHE  11   9.471  10.055   1.595
   92    HA   PHE  11           HA       PHE  11   9.893   8.204   3.842
   93    HB2  PHE  11           HB2      PHE  11   9.958  11.289   3.840
   94    HB3  PHE  11           HB1      PHE  11  10.026  10.259   5.321
   95    HD1  PHE  11           HD1      PHE  11  11.864  11.609   2.486
   96    HD2  PHE  11           HD2      PHE  11  12.002   8.883   5.748
   97    HE1  PHE  11           HE1      PHE  11  14.308  11.517   2.312
   98    HE2  PHE  11           HE2      PHE  11  14.444   8.796   5.569
   99    HZ   PHE  11           HZ       PHE  11  15.600  10.113   3.851
  100    H    ILE  12           HN       ILE  12   7.990  11.166   2.811
  101    HA   ILE  12           HA       ILE  12   5.540   9.920   2.923
  102    HB   ILE  12           HB       ILE  12   4.730  11.652   4.796
  103   HG12  ILE  12          HG12      ILE  12   6.511  10.961   6.782
  104   HG13  ILE  12          HG11      ILE  12   7.646  11.208   5.415
  105   HG21  ILE  12          HG21      ILE  12   5.194   8.771   4.613
  106   HG22  ILE  12          HG22      ILE  12   3.843   9.682   5.385
  107   HG23  ILE  12          HG23      ILE  12   5.347   9.334   6.320
  108   HD11  ILE  12          HD11      ILE  12   5.473  13.292   5.943
  109   HD12  ILE  12          HD12      ILE  12   7.094  13.491   5.177
  110   HD13  ILE  12          HD13      ILE  12   6.962  13.268   6.963
  111    H    LEU  13           HN       LEU  13   5.242  13.049   4.189
  112    HA   LEU  13           HA       LEU  13   6.089  14.822   2.511
  113    HB2  LEU  13           HB2      LEU  13   5.453  14.339   0.324
  114    HB3  LEU  13           HB1      LEU  13   4.464  12.954   0.883
  115    HG   LEU  13           HG       LEU  13   3.379  15.767   1.254
  116   HD11  LEU  13          HD11      LEU  13   2.952  14.294  -1.382
  117   HD12  LEU  13          HD12      LEU  13   4.354  15.418  -1.159
  118   HD13  LEU  13          HD13      LEU  13   2.659  16.026  -0.969
  119   HD21  LEU  13          HD21      LEU  13   1.532  13.689   0.282
  120   HD22  LEU  13          HD22      LEU  13   1.503  14.625   1.828
  121   HD23  LEU  13          HD23      LEU  13   2.459  13.091   1.718
  122    H    GLN  14           HN       GLN  14   3.489  13.185   4.131
  123    HA   GLN  14           HA       GLN  14   1.733  15.367   4.261
  124    HB2  GLN  14           HB2      GLN  14   2.087  12.827   5.900
  125    HB3  GLN  14           HB1      GLN  14   0.925  14.093   6.423
  126    HG2  GLN  14           HG2      GLN  14  -0.484  12.748   5.127
  127    HG3  GLN  14           HG1      GLN  14   0.075  13.934   3.880
  128   HE21  GLN  14          HE21      GLN  14  -0.801  11.587   2.864
  129   HE22  GLN  14          HE22      GLN  14   0.503  10.567   2.360
  130    H    ARG  15           HN       ARG  15   1.302  16.822   5.929
  131    HA   ARG  15           HA       ARG  15   3.715  17.581   7.314
  132    HB2  ARG  15           HB2      ARG  15   0.974  18.927   6.997
  133    HB3  ARG  15           HB1      ARG  15   2.332  19.635   7.936
  134    HG2  ARG  15           HG2      ARG  15   2.283  20.678   5.731
  135    HG3  ARG  15           HG1      ARG  15   3.750  19.657   5.859
  136    HD2  ARG  15           HD2      ARG  15   2.503  19.516   3.593
  137    HD3  ARG  15           HD1      ARG  15   2.758  17.914   4.405
  138    HE   ARG  15           HE       ARG  15   0.413  17.746   4.711
  139   HH11  ARG  15          HH11      ARG  15   1.348  21.063   3.785
  140   HH12  ARG  15          HH12      ARG  15  -0.272  21.607   3.509
  141   HH21  ARG  15          HH21      ARG  15  -1.789  18.491   4.329
  142   HH22  ARG  15          HH22      ARG  15  -2.085  20.120   3.824
  143    H    LYS  16           HN       LYS  16   1.214  15.473   7.884
  144    HA   LYS  16           HA       LYS  16   1.017  16.216  10.702
  145    HB2  LYS  16           HB2      LYS  16  -0.487  13.816  10.238
  146    HB3  LYS  16           HB1      LYS  16  -1.138  15.454  10.591
  147    HG2  LYS  16           HG2      LYS  16  -1.244  15.984   8.184
  148    HG3  LYS  16           HG1      LYS  16  -0.443  14.426   7.774
  149    HD2  LYS  16           HD2      LYS  16  -2.947  14.274   9.459
  150    HD3  LYS  16           HD1      LYS  16  -3.144  14.766   7.741
  151    HE2  LYS  16           HE2      LYS  16  -1.909  12.689   7.011
  152    HE3  LYS  16           HE1      LYS  16  -1.751  12.187   8.747
  153    HZ1  LYS  16           HZ1      LYS  16  -4.100  12.065   8.918
  154    HZ2  LYS  16           HZ2      LYS  16  -3.630  11.191   7.541
  155    HZ3  LYS  16           HZ3      LYS  16  -4.335  12.725   7.372
  156    H    LYS  17           HN       LYS  17   2.719  14.277   8.487
  157    HA   LYS  17           HA       LYS  17   3.151  12.149  10.392
  158    HB2  LYS  17           HB2      LYS  17   3.815  12.680   7.477
  159    HB3  LYS  17           HB1      LYS  17   4.910  11.584   8.397
  160    HG2  LYS  17           HG2      LYS  17   3.136  10.327   7.203
  161    HG3  LYS  17           HG1      LYS  17   3.027  10.110   8.979
  162    HD2  LYS  17           HD2      LYS  17   0.959  11.071   9.096
  163    HD3  LYS  17           HD1      LYS  17   1.394  12.386   7.956
  164    HE2  LYS  17           HE2      LYS  17  -0.406  10.997   6.983
  165    HE3  LYS  17           HE1      LYS  17   1.114  10.760   6.020
  166    HZ1  LYS  17           HZ1      LYS  17   1.272   8.874   7.962
  167    HZ2  LYS  17           HZ2      LYS  17   0.733   8.633   6.369
  168    HZ3  LYS  17           HZ3      LYS  17  -0.390   8.901   7.616
  Start of MODEL   18
    1    H1   GLU   1           HT1      GLU   1   3.852  14.180 -16.428
    2    H2   GLU   1           HT2      GLU   1   3.111  14.077 -14.903
    3    H3   GLU   1           HT3      GLU   1   4.712  13.547 -15.107
    4    HA   GLU   1           HA       GLU   1   5.539  15.665 -15.345
    5    HB2  GLU   1           HB2      GLU   1   3.726  16.430 -16.932
    6    HB3  GLU   1           HB1      GLU   1   2.620  16.617 -15.525
    7    HG2  GLU   1           HG2      GLU   1   4.105  18.385 -14.555
    8    HG3  GLU   1           HG1      GLU   1   5.263  18.181 -15.929
    9    H    MET   2           HN       MET   2   6.385  15.693 -13.265
   10    HA   MET   2           HA       MET   2   4.490  16.542 -11.203
   11    HB2  MET   2           HB2      MET   2   6.637  14.373 -10.942
   12    HB3  MET   2           HB1      MET   2   5.877  15.192  -9.535
   13    HG2  MET   2           HG2      MET   2   3.631  14.371 -10.261
   14    HG3  MET   2           HG1      MET   2   4.380  13.556 -11.672
   15    HE1  MET   2           HE1      MET   2   3.093  10.758  -9.209
   16    HE2  MET   2           HE2      MET   2   2.968  11.490 -10.846
   17    HE3  MET   2           HE3      MET   2   2.436  12.422  -9.404
   18    H    ARG   3           HN       ARG   3   5.518  17.600  -9.386
   19    HA   ARG   3           HA       ARG   3   7.941  18.886 -10.280
   20    HB2  ARG   3           HB2      ARG   3   6.021  20.439  -9.991
   21    HB3  ARG   3           HB1      ARG   3   5.811  19.794  -8.326
   22    HG2  ARG   3           HG2      ARG   3   7.865  20.770  -7.557
   23    HG3  ARG   3           HG1      ARG   3   8.432  21.109  -9.230
   24    HD2  ARG   3           HD2      ARG   3   7.665  23.218  -8.156
   25    HD3  ARG   3           HD1      ARG   3   6.509  22.771  -9.487
   26    HE   ARG   3           HE       ARG   3   5.617  21.623  -6.980
   27   HH11  ARG   3          HH11      ARG   3   5.981  24.703  -8.737
   28   HH12  ARG   3          HH12      ARG   3   4.638  25.479  -7.967
   29   HH21  ARG   3          HH21      ARG   3   3.792  22.680  -5.930
   30   HH22  ARG   3          HH22      ARG   3   3.373  24.309  -6.342
   31    H    LEU   4           HN       LEU   4   6.202  17.830  -7.437
   32    HA   LEU   4           HA       LEU   4   8.345  17.855  -5.706
   33    HB2  LEU   4           HB2      LEU   4   6.439  15.601  -5.364
   34    HB3  LEU   4           HB1      LEU   4   6.822  16.942  -4.215
   35    HG   LEU   4           HG       LEU   4   5.394  18.388  -5.975
   36   HD11  LEU   4          HD11      LEU   4   4.534  15.488  -6.519
   37   HD12  LEU   4          HD12      LEU   4   4.854  16.816  -7.700
   38   HD13  LEU   4          HD13      LEU   4   3.363  16.850  -6.684
   39   HD21  LEU   4          HD21      LEU   4   3.922  16.510  -4.034
   40   HD22  LEU   4          HD22      LEU   4   3.487  18.196  -4.514
   41   HD23  LEU   4          HD23      LEU   4   4.941  17.896  -3.488
   42    H    SER   5           HN       SER   5   7.082  15.558  -8.075
   43    HA   SER   5           HA       SER   5   7.863  13.688  -8.921
   44    HB2  SER   5           HB2      SER   5  10.582  14.905  -8.171
   45    HB3  SER   5           HB1      SER   5  10.417  13.373  -9.120
   46    HG   SER   5           HG       SER   5   9.668  16.008  -9.778
   47    H    ORN   6           HN       ORN   6  10.762  13.394  -6.879
   48    HA   ORN   6           HA       ORN   6   9.274  11.343  -5.385
   49    HB2  ORN   6           HB1      ORN   6  12.292  11.273  -5.398
   50    HB3  ORN   6           HB2      ORN   6  11.478  10.801  -6.931
   51    HG2  ORN   6           HG1      ORN   6  10.905   8.776  -6.082
   52    HG3  ORN   6           HG2      ORN   6  10.119   9.532  -4.656
   53    HD2  ORN   6           HD2      ORN   6  12.643   8.059  -4.793
   54    HD3  ORN   6           HD1      ORN   6  12.983   9.748  -4.241
   55    H    PHE   7           HN       PHE   7   9.606  14.315  -5.037
   56    HA   PHE   7           HA       PHE   7  10.949  15.587  -3.511
   57    HB2  PHE   7           HB2      PHE   7   8.809  15.941  -1.920
   58    HB3  PHE   7           HB1      PHE   7   8.807  16.492  -3.604
   59    HD1  PHE   7           HD1      PHE   7   6.631  16.048  -1.684
   60    HD2  PHE   7           HD2      PHE   7   8.102  13.533  -4.734
   61    HE1  PHE   7           HE1      PHE   7   4.480  15.060  -1.946
   62    HE2  PHE   7           HE2      PHE   7   5.950  12.535  -4.960
   63    HZ   PHE   7           HZ       PHE   7   4.124  13.296  -3.529
   64    H    PHE   8           HN       PHE   8   8.796  14.295  -1.116
   65    HA   PHE   8           HA       PHE   8  11.154  13.109   0.164
   66    HB2  PHE   8           HB2      PHE   8   9.037  13.931   2.078
   67    HB3  PHE   8           HB1      PHE   8  10.777  14.466   2.032
   68    HD1  PHE   8           HD1      PHE   8   7.417  15.206   1.241
   69    HD2  PHE   8           HD2      PHE   8  11.457  16.114   0.436
   70    HE1  PHE   8           HE1      PHE   8   6.730  17.112  -0.053
   71    HE2  PHE   8           HE2      PHE   8  10.768  18.047  -0.825
   72    HZ   PHE   8           HZ       PHE   8   8.397  18.469  -1.116
   73    H    ARG   9           HN       ARG   9   8.344  12.612  -1.428
   74    HA   ARG   9           HA       ARG   9   6.781  10.942   0.055
   75    HB2  ARG   9           HB2      ARG   9   6.184  11.865  -2.188
   76    HB3  ARG   9           HB1      ARG   9   7.389  10.770  -2.943
   77    HG2  ARG   9           HG2      ARG   9   6.110   8.798  -2.292
   78    HG3  ARG   9           HG1      ARG   9   5.000   9.785  -1.280
   79    HD2  ARG   9           HD2      ARG   9   4.125  10.941  -3.324
   80    HD3  ARG   9           HD1      ARG   9   5.274   9.992  -4.365
   81    HE   ARG   9           HE       ARG   9   2.825   8.955  -3.019
   82   HH11  ARG   9          HH11      ARG   9   5.888   8.317  -4.725
   83   HH12  ARG   9          HH12      ARG   9   5.474   6.702  -5.190
   84   HH21  ARG   9          HH21      ARG   9   2.263   6.751  -3.648
   85   HH22  ARG   9          HH22      ARG   9   3.377   5.798  -4.568
   86    H    ASN  10           HN       ASN  10  10.063  10.349  -0.857
   87    HA   ASN  10           HA       ASN  10   9.960   7.599  -1.298
   88    HB2  ASN  10           HB2      ASN  10  12.062   9.292   0.193
   89    HB3  ASN  10           HB1      ASN  10  12.279   7.545  -0.158
   90   HD21  ASN  10          HD21      ASN  10  10.697   8.327  -2.903
   91    H    PHE  11           HN       PHE  11   9.762   9.669   1.638
   92    HA   PHE  11           HA       PHE  11   9.322   7.211   3.184
   93    HB2  PHE  11           HB2      PHE  11  11.221   8.854   3.944
   94    HB3  PHE  11           HB1      PHE  11   9.885   9.988   4.371
   95    HD1  PHE  11           HD1      PHE  11  11.134   6.523   4.987
   96    HD2  PHE  11           HD2      PHE  11   8.864   9.815   6.431
   97    HE1  PHE  11           HE1      PHE  11  10.904   5.416   7.162
   98    HE2  PHE  11           HE2      PHE  11   8.636   8.703   8.602
   99    HZ   PHE  11           HZ       PHE  11   9.656   6.503   8.970
  100    H    ILE  12           HN       ILE  12   8.233  10.763   3.120
  101    HA   ILE  12           HA       ILE  12   5.552   9.937   3.021
  102    HB   ILE  12           HB       ILE  12   4.893  11.310   4.996
  103   HG12  ILE  12          HG12      ILE  12   6.943  11.236   6.802
  104   HG13  ILE  12          HG11      ILE  12   7.888  11.497   5.290
  105   HG21  ILE  12          HG21      ILE  12   5.244   9.514   6.660
  106   HG22  ILE  12          HG22      ILE  12   6.591   8.832   5.678
  107   HG23  ILE  12          HG23      ILE  12   4.904   8.802   5.038
  108   HD11  ILE  12          HD11      ILE  12   6.760  13.546   6.770
  109   HD12  ILE  12          HD12      ILE  12   5.431  13.237   5.585
  110   HD13  ILE  12          HD13      ILE  12   7.087  13.652   5.000
  111    H    LEU  13           HN       LEU  13   4.555  12.463   3.682
  112    HA   LEU  13           HA       LEU  13   6.240  14.417   2.633
  113    HB2  LEU  13           HB2      LEU  13   5.907  14.331   0.378
  114    HB3  LEU  13           HB1      LEU  13   5.200  12.709   0.666
  115    HG   LEU  13           HG       LEU  13   3.703  13.886  -0.730
  116   HD11  LEU  13          HD11      LEU  13   2.000  14.485   1.607
  117   HD12  LEU  13          HD12      LEU  13   2.818  12.875   1.710
  118   HD13  LEU  13          HD13      LEU  13   1.800  13.284   0.277
  119   HD21  LEU  13          HD21      LEU  13   3.186  16.133  -0.718
  120   HD22  LEU  13          HD22      LEU  13   4.763  16.215   0.162
  121   HD23  LEU  13          HD23      LEU  13   3.201  16.261   1.081
  122    H    GLN  14           HN       GLN  14   3.255  13.190   3.914
  123    HA   GLN  14           HA       GLN  14   1.915  15.687   3.726
  124    HB2  GLN  14           HB2      GLN  14   1.346  13.174   5.371
  125    HB3  GLN  14           HB1      GLN  14   0.326  14.657   5.470
  126    HG2  GLN  14           HG2      GLN  14  -0.070  14.540   2.993
  127    HG3  GLN  14           HG1      GLN  14   0.895  13.008   2.933
  128   HE21  GLN  14          HE21      GLN  14  -2.251  14.206   3.131
  129   HE22  GLN  14          HE22      GLN  14  -3.030  12.852   3.874
  130    H    ARG  15           HN       ARG  15   1.232  16.985   5.557
  131    HA   ARG  15           HA       ARG  15   3.532  17.524   7.169
  132    HB2  ARG  15           HB2      ARG  15   0.814  18.849   6.757
  133    HB3  ARG  15           HB1      ARG  15   1.871  19.348   8.121
  134    HG2  ARG  15           HG2      ARG  15   2.170  20.831   6.155
  135    HG3  ARG  15           HG1      ARG  15   3.684  19.962   6.565
  136    HD2  ARG  15           HD2      ARG  15   3.222  20.076   4.052
  137    HD3  ARG  15           HD1      ARG  15   3.338  18.372   4.666
  138    HE   ARG  15           HE       ARG  15   1.030  18.082   4.183
  139   HH11  ARG  15          HH11      ARG  15   1.951  21.528   4.055
  140   HH12  ARG  15          HH12      ARG  15   0.464  22.056   3.341
  141   HH21  ARG  15          HH21      ARG  15  -0.989  18.809   3.212
  142   HH22  ARG  15          HH22      ARG  15  -1.234  20.485   2.857
  143    H    LYS  16           HN       LYS  16   1.086  15.276   7.415
  144    HA   LYS  16           HA       LYS  16   0.604  15.680  10.243
  145    HB2  LYS  16           HB2      LYS  16  -0.055  13.231   8.509
  146    HB3  LYS  16           HB1      LYS  16  -0.712  13.591  10.141
  147    HG2  LYS  16           HG2      LYS  16  -1.823  15.660   9.164
  148    HG3  LYS  16           HG1      LYS  16  -1.270  15.120   7.538
  149    HD2  LYS  16           HD2      LYS  16  -3.051  13.471   9.438
  150    HD3  LYS  16           HD1      LYS  16  -3.648  14.456   8.056
  151    HE2  LYS  16           HE2      LYS  16  -2.270  13.043   6.474
  152    HE3  LYS  16           HE1      LYS  16  -1.729  12.028   7.878
  153    HZ1  LYS  16           HZ1      LYS  16  -3.928  11.340   8.248
  154    HZ2  LYS  16           HZ2      LYS  16  -3.652  11.184   6.580
  155    HZ3  LYS  16           HZ3      LYS  16  -4.581  12.478   7.171
  156    H    LYS  17           HN       LYS  17   3.003  14.490   8.198
  157    HA   LYS  17           HA       LYS  17   3.864  12.548  10.222
  158    HB2  LYS  17           HB2      LYS  17   4.037  12.636   7.183
  159    HB3  LYS  17           HB1      LYS  17   5.364  11.832   8.102
  160    HG2  LYS  17           HG2      LYS  17   4.099  10.017   8.581
  161    HG3  LYS  17           HG1      LYS  17   2.680  11.016   9.068
  162    HD2  LYS  17           HD2      LYS  17   3.301  10.904   6.114
  163    HD3  LYS  17           HD1      LYS  17   2.721   9.380   6.864
  164    HE2  LYS  17           HE2      LYS  17   1.233  12.038   7.329
  165    HE3  LYS  17           HE1      LYS  17   0.935  11.021   5.857
  166    HZ1  LYS  17           HZ1      LYS  17   0.948   9.368   8.124
  167    HZ2  LYS  17           HZ2      LYS  17  -0.330   9.736   7.067
  168    HZ3  LYS  17           HZ3      LYS  17  -0.060  10.696   8.442
  Start of MODEL   19
    1    H1   GLU   1           HT1      GLU   1   4.867  17.946 -14.479
    2    H2   GLU   1           HT2      GLU   1   4.069  17.826 -15.974
    3    H3   GLU   1           HT3      GLU   1   5.349  16.771 -15.608
    4    HA   GLU   1           HA       GLU   1   2.582  16.611 -14.946
    5    HB2  GLU   1           HB2      GLU   1   4.976  14.691 -14.922
    6    HB3  GLU   1           HB1      GLU   1   3.311  14.166 -14.484
    7    HG2  GLU   1           HG2      GLU   1   2.470  14.728 -16.741
    8    HG3  GLU   1           HG1      GLU   1   4.067  15.441 -17.201
    9    H    MET   2           HN       MET   2   5.697  16.290 -13.105
   10    HA   MET   2           HA       MET   2   4.086  16.684 -10.695
   11    HB2  MET   2           HB2      MET   2   6.361  14.662 -11.057
   12    HB3  MET   2           HB1      MET   2   5.746  15.204  -9.457
   13    HG2  MET   2           HG2      MET   2   3.431  14.386 -10.155
   14    HG3  MET   2           HG1      MET   2   4.178  13.691 -11.628
   15    HE1  MET   2           HE1      MET   2   7.005  12.365 -10.690
   16    HE2  MET   2           HE2      MET   2   5.693  12.052 -11.878
   17    HE3  MET   2           HE3      MET   2   6.191  10.762 -10.730
   18    H    ARG   3           HN       ARG   3   5.275  17.603  -8.927
   19    HA   ARG   3           HA       ARG   3   7.563  19.056  -9.925
   20    HB2  ARG   3           HB2      ARG   3   5.668  20.554  -9.385
   21    HB3  ARG   3           HB1      ARG   3   5.555  19.768  -7.772
   22    HG2  ARG   3           HG2      ARG   3   7.692  20.670  -7.071
   23    HG3  ARG   3           HG1      ARG   3   8.075  21.241  -8.735
   24    HD2  ARG   3           HD2      ARG   3   6.233  22.915  -8.624
   25    HD3  ARG   3           HD1      ARG   3   5.748  22.297  -6.986
   26    HE   ARG   3           HE       ARG   3   7.618  23.414  -6.050
   27   HH11  ARG   3          HH11      ARG   3   7.829  23.314  -9.609
   28   HH12  ARG   3          HH12      ARG   3   9.168  24.407  -9.711
   29   HH21  ARG   3          HH21      ARG   3   9.435  24.900  -6.195
   30   HH22  ARG   3          HH22      ARG   3  10.096  25.322  -7.739
   31    H    LEU   4           HN       LEU   4   6.069  17.731  -7.048
   32    HA   LEU   4           HA       LEU   4   8.445  17.708  -5.570
   33    HB2  LEU   4           HB2      LEU   4   6.293  15.639  -5.112
   34    HB3  LEU   4           HB1      LEU   4   7.161  16.643  -3.888
   35    HG   LEU   4           HG       LEU   4   5.801  18.643  -4.954
   36   HD11  LEU   4          HD11      LEU   4   4.346  18.122  -6.633
   37   HD12  LEU   4          HD12      LEU   4   3.401  17.136  -5.451
   38   HD13  LEU   4          HD13      LEU   4   4.688  16.355  -6.445
   39   HD21  LEU   4          HD21      LEU   4   3.863  18.114  -3.377
   40   HD22  LEU   4          HD22      LEU   4   5.502  17.933  -2.639
   41   HD23  LEU   4          HD23      LEU   4   4.572  16.468  -3.145
   42    H    SER   5           HN       SER   5   6.774  15.589  -7.843
   43    HA   SER   5           HA       SER   5   7.331  13.670  -8.780
   44    HB2  SER   5           HB2      SER   5   9.432  14.998  -9.458
   45    HB3  SER   5           HB1      SER   5  10.266  14.243  -8.046
   46    HG   SER   5           HG       SER   5  10.368  13.229 -10.239
   47    H    ORN   6           HN       ORN   6  10.240  12.769  -7.111
   48    HA   ORN   6           HA       ORN   6   8.620  10.976  -5.447
   49    HB2  ORN   6           HB1      ORN   6  11.644  10.778  -5.923
   50    HB3  ORN   6           HB2      ORN   6  10.475  10.061  -7.084
   51    HG2  ORN   6           HG1      ORN   6  10.058   8.272  -5.735
   52    HG3  ORN   6           HG2      ORN   6   9.877   9.296  -4.271
   53    HD2  ORN   6           HD2      ORN   6  12.126   7.593  -5.046
   54    HD3  ORN   6           HD1      ORN   6  12.702   9.304  -4.983
   55    H    PHE   7           HN       PHE   7   9.498  13.967  -5.149
   56    HA   PHE   7           HA       PHE   7  11.068  15.056  -3.795
   57    HB2  PHE   7           HB2      PHE   7   9.359  15.579  -1.848
   58    HB3  PHE   7           HB1      PHE   7   8.959  16.042  -3.512
   59    HD1  PHE   7           HD1      PHE   7   7.750  14.699  -0.616
   60    HD2  PHE   7           HD2      PHE   7   7.651  14.093  -4.782
   61    HE1  PHE   7           HE1      PHE   7   5.604  13.647  -0.396
   62    HE2  PHE   7           HE2      PHE   7   5.490  13.037  -4.573
   63    HZ   PHE   7           HZ       PHE   7   4.465  12.827  -2.347
   64    H    PHE   8           HN       PHE   8   9.357  13.959  -1.079
   65    HA   PHE   8           HA       PHE   8  11.716  12.478  -0.211
   66    HB2  PHE   8           HB2      PHE   8  10.152  13.647   2.027
   67    HB3  PHE   8           HB1      PHE   8  11.909  13.916   1.638
   68    HD1  PHE   8           HD1      PHE   8   8.575  15.052   1.355
   69    HD2  PHE   8           HD2      PHE   8  12.528  15.499  -0.019
   70    HE1  PHE   8           HE1      PHE   8   7.908  17.001   0.115
   71    HE2  PHE   8           HE2      PHE   8  11.882  17.489  -1.219
   72    HZ   PHE   8           HZ       PHE   8   9.549  18.175  -1.186
   73    H    ARG   9           HN       ARG   9   8.963  12.180  -1.525
   74    HA   ARG   9           HA       ARG   9   7.101  10.951   0.046
   75    HB2  ARG   9           HB2      ARG   9   7.011  11.543  -2.489
   76    HB3  ARG   9           HB1      ARG   9   7.821   9.972  -2.758
   77    HG2  ARG   9           HG2      ARG   9   5.957   8.740  -1.803
   78    HG3  ARG   9           HG1      ARG   9   5.180  10.249  -1.211
   79    HD2  ARG   9           HD2      ARG   9   4.809  11.011  -3.583
   80    HD3  ARG   9           HD1      ARG   9   5.601   9.486  -4.188
   81    HE   ARG   9           HE       ARG   9   3.554   8.659  -2.406
   82   HH11  ARG   9          HH11      ARG   9   3.902  10.521  -5.422
   83   HH12  ARG   9          HH12      ARG   9   2.342  10.096  -6.046
   84   HH21  ARG   9          HH21      ARG   9   1.433   8.081  -3.253
   85   HH22  ARG   9          HH22      ARG   9   0.915   8.685  -4.790
   86    H    ASN  10           HN       ASN  10  10.203   9.660  -1.139
   87    HA   ASN  10           HA       ASN  10   9.549   6.964  -0.824
   88    HB2  ASN  10           HB2      ASN  10  12.228   8.450  -0.613
   89    HB3  ASN  10           HB1      ASN  10  12.093   6.656  -0.498
   90   HD21  ASN  10          HD21      ASN  10  12.071   9.463  -2.650
   91    H    PHE  11           HN       PHE  11  10.107   9.555   1.500
   92    HA   PHE  11           HA       PHE  11  10.241   7.512   3.611
   93    HB2  PHE  11           HB2      PHE  11  10.914  10.522   3.733
   94    HB3  PHE  11           HB1      PHE  11  10.962   9.391   5.139
   95    HD1  PHE  11           HD1      PHE  11  12.656  10.565   2.137
   96    HD2  PHE  11           HD2      PHE  11  12.682   7.659   5.241
   97    HE1  PHE  11           HE1      PHE  11  14.995  10.035   1.626
   98    HE2  PHE  11           HE2      PHE  11  15.020   7.134   4.726
   99    HZ   PHE  11           HZ       PHE  11  16.178   8.320   2.918
  100    H    ILE  12           HN       ILE  12   8.938  10.898   3.065
  101    HA   ILE  12           HA       ILE  12   6.295  10.142   3.357
  102    HB   ILE  12           HB       ILE  12   6.030  11.795   5.429
  103   HG12  ILE  12          HG12      ILE  12   7.782  10.738   7.182
  104   HG13  ILE  12          HG11      ILE  12   8.848  10.696   5.737
  105   HG21  ILE  12          HG21      ILE  12   5.227   9.363   5.019
  106   HG22  ILE  12          HG22      ILE  12   5.432   9.890   6.730
  107   HG23  ILE  12          HG23      ILE  12   6.679   8.852   5.957
  108   HD11  ILE  12          HD11      ILE  12   7.336  13.253   6.568
  109   HD12  ILE  12          HD12      ILE  12   8.759  13.097   5.467
  110   HD13  ILE  12          HD13      ILE  12   8.956  12.827   7.239
  111    H    LEU  13           HN       LEU  13   6.894  13.110   4.872
  112    HA   LEU  13           HA       LEU  13   7.852  14.799   3.158
  113    HB2  LEU  13           HB2      LEU  13   6.726  14.715   1.158
  114    HB3  LEU  13           HB1      LEU  13   5.558  13.535   1.821
  115    HG   LEU  13           HG       LEU  13   5.177  16.436   2.586
  116   HD11  LEU  13          HD11      LEU  13   5.787  16.198   0.013
  117   HD12  LEU  13          HD12      LEU  13   4.341  17.163   0.515
  118   HD13  LEU  13          HD13      LEU  13   4.132  15.486  -0.116
  119   HD21  LEU  13          HD21      LEU  13   3.040  15.740   3.037
  120   HD22  LEU  13          HD22      LEU  13   3.786  14.090   3.041
  121   HD23  LEU  13          HD23      LEU  13   2.950  14.705   1.561
  122    H    GLN  14           HN       GLN  14   5.521  13.644   5.379
  123    HA   GLN  14           HA       GLN  14   4.872  14.519   7.313
  124    HB2  GLN  14           HB2      GLN  14   5.743  17.352   6.589
  125    HB3  GLN  14           HB1      GLN  14   5.527  16.632   8.222
  126    HG2  GLN  14           HG2      GLN  14   7.545  15.141   7.734
  127    HG3  GLN  14           HG1      GLN  14   7.793  16.099   6.218
  128   HE21  GLN  14          HE21      GLN  14   8.975  17.958   6.358
  129   HE22  GLN  14          HE22      GLN  14   9.347  18.806   7.820
  130    H    ARG  15           HN       ARG  15   3.867  17.293   7.618
  131    HA   ARG  15           HA       ARG  15   2.065  18.484   7.195
  132    HB2  ARG  15           HB2      ARG  15   2.535  17.349   4.423
  133    HB3  ARG  15           HB1      ARG  15   0.997  18.219   4.757
  134    HG2  ARG  15           HG2      ARG  15   2.527  19.847   3.867
  135    HG3  ARG  15           HG1      ARG  15   2.381  20.180   5.625
  136    HD2  ARG  15           HD2      ARG  15   4.748  20.338   5.263
  137    HD3  ARG  15           HD1      ARG  15   4.573  18.623   5.821
  138    HE   ARG  15           HE       ARG  15   5.224  17.904   3.698
  139   HH11  ARG  15          HH11      ARG  15   4.210  21.331   3.591
  140   HH12  ARG  15          HH12      ARG  15   4.774  21.606   1.976
  141   HH21  ARG  15          HH21      ARG  15   5.995  18.296   1.505
  142   HH22  ARG  15          HH22      ARG  15   5.803  19.854   0.773
  143    H    LYS  16           HN       LYS  16   1.111  15.781   5.076
  144    HA   LYS  16           HA       LYS  16  -1.370  15.568   6.409
  145    HB2  LYS  16           HB2      LYS  16  -1.439  13.267   5.101
  146    HB3  LYS  16           HB1      LYS  16  -1.539  14.802   4.173
  147    HG2  LYS  16           HG2      LYS  16   0.679  14.624   3.388
  148    HG3  LYS  16           HG1      LYS  16   1.164  13.494   4.700
  149    HD2  LYS  16           HD2      LYS  16  -0.267  11.714   3.710
  150    HD3  LYS  16           HD1      LYS  16  -0.799  12.847   2.418
  151    HE2  LYS  16           HE2      LYS  16   1.509  13.023   1.562
  152    HE3  LYS  16           HE1      LYS  16   2.120  11.993   2.921
  153    HZ1  LYS  16           HZ1      LYS  16   1.316  10.150   1.975
  154    HZ2  LYS  16           HZ2      LYS  16   1.458  11.056   0.546
  155    HZ3  LYS  16           HZ3      LYS  16  -0.052  10.904   1.308
  156    H    LYS  17           HN       LYS  17   1.798  14.401   7.036
  157    HA   LYS  17           HA       LYS  17   0.844  12.105   8.520
  158    HB2  LYS  17           HB2      LYS  17   3.543  13.293   7.808
  159    HB3  LYS  17           HB1      LYS  17   3.446  12.284   9.288
  160    HG2  LYS  17           HG2      LYS  17   4.072  11.221   6.931
  161    HG3  LYS  17           HG1      LYS  17   3.053  10.322   8.109
  162    HD2  LYS  17           HD2      LYS  17   1.018  10.854   6.895
  163    HD3  LYS  17           HD1      LYS  17   1.855  12.086   5.895
  164    HE2  LYS  17           HE2      LYS  17   1.443  10.042   4.565
  165    HE3  LYS  17           HE1      LYS  17   3.227  10.243   4.824
  166    HZ1  LYS  17           HZ1      LYS  17   1.365   8.277   5.937
  167    HZ2  LYS  17           HZ2      LYS  17   2.669   8.772   6.905
  168    HZ3  LYS  17           HZ3      LYS  17   2.956   8.095   5.374
  Start of MODEL   20
    1    H1   GLU   1           HT1      GLU   1   4.650  17.022 -14.826
    2    H2   GLU   1           HT2      GLU   1   4.310  18.242 -13.691
    3    H3   GLU   1           HT3      GLU   1   3.453  18.182 -15.157
    4    HA   GLU   1           HA       GLU   1   1.906  17.155 -13.996
    5    HB2  GLU   1           HB2      GLU   1   2.913  15.352 -15.455
    6    HB3  GLU   1           HB1      GLU   1   3.976  14.882 -14.082
    7    HG2  GLU   1           HG2      GLU   1   1.973  14.261 -12.709
    8    HG3  GLU   1           HG1      GLU   1   0.881  14.771 -14.056
    9    H    MET   2           HN       MET   2   5.130  16.635 -12.454
   10    HA   MET   2           HA       MET   2   3.727  16.836  -9.892
   11    HB2  MET   2           HB2      MET   2   6.025  14.923 -10.567
   12    HB3  MET   2           HB1      MET   2   5.501  15.324  -8.894
   13    HG2  MET   2           HG2      MET   2   3.245  14.393  -9.347
   14    HG3  MET   2           HG1      MET   2   3.709  14.039 -11.042
   15    HE1  MET   2           HE1      MET   2   2.754  11.672 -10.666
   16    HE2  MET   2           HE2      MET   2   2.385  12.096  -8.959
   17    HE3  MET   2           HE3      MET   2   3.237  10.561  -9.339
   18    H    ARG   3           HN       ARG   3   5.061  17.649  -8.166
   19    HA   ARG   3           HA       ARG   3   7.267  19.183  -9.235
   20    HB2  ARG   3           HB2      ARG   3   5.420  20.694  -8.593
   21    HB3  ARG   3           HB1      ARG   3   5.295  19.834  -7.021
   22    HG2  ARG   3           HG2      ARG   3   6.445  21.984  -6.703
   23    HG3  ARG   3           HG1      ARG   3   7.580  20.627  -6.392
   24    HD2  ARG   3           HD2      ARG   3   8.621  20.936  -8.646
   25    HD3  ARG   3           HD1      ARG   3   7.433  22.264  -9.022
   26    HE   ARG   3           HE       ARG   3   8.674  22.977  -6.572
   27   HH11  ARG   3          HH11      ARG   3   9.586  22.283  -9.943
   28   HH12  ARG   3          HH12      ARG   3  10.947  23.353  -9.959
   29   HH21  ARG   3          HH21      ARG   3  10.528  24.433  -6.590
   30   HH22  ARG   3          HH22      ARG   3  11.492  24.596  -8.019
   31    H    LEU   4           HN       LEU   4   5.863  17.762  -6.355
   32    HA   LEU   4           HA       LEU   4   8.287  17.695  -4.953
   33    HB2  LEU   4           HB2      LEU   4   6.139  15.621  -4.491
   34    HB3  LEU   4           HB1      LEU   4   7.063  16.570  -3.261
   35    HG   LEU   4           HG       LEU   4   5.678  18.620  -4.171
   36   HD11  LEU   4          HD11      LEU   4   4.499  16.426  -5.755
   37   HD12  LEU   4          HD12      LEU   4   4.177  18.205  -5.840
   38   HD13  LEU   4          HD13      LEU   4   3.251  17.171  -4.685
   39   HD21  LEU   4          HD21      LEU   4   5.388  17.865  -1.902
   40   HD22  LEU   4          HD22      LEU   4   4.563  16.344  -2.423
   41   HD23  LEU   4          HD23      LEU   4   3.728  17.936  -2.608
   42    H    SER   5           HN       SER   5   6.541  15.668  -7.245
   43    HA   SER   5           HA       SER   5   7.045  13.776  -8.263
   44    HB2  SER   5           HB2      SER   5   9.949  14.589  -7.644
   45    HB3  SER   5           HB1      SER   5   9.504  13.190  -8.702
   46    HG   SER   5           HG       SER   5   9.133  15.951  -9.077
   47    H    ORN   6           HN       ORN   6  10.013  12.881  -6.642
   48    HA   ORN   6           HA       ORN   6   8.424  11.013  -5.019
   49    HB2  ORN   6           HB1      ORN   6  11.415  10.707  -5.567
   50    HB3  ORN   6           HB2      ORN   6  10.227  10.167  -6.804
   51    HG2  ORN   6           HG1      ORN   6   9.589   8.329  -5.587
   52    HG3  ORN   6           HG2      ORN   6   9.622   9.213  -4.024
   53    HD2  ORN   6           HD2      ORN   6  11.554   7.316  -5.024
   54    HD3  ORN   6           HD1      ORN   6  12.374   8.928  -5.037
   55    H    PHE   7           HN       PHE   7   9.332  13.944  -4.652
   56    HA   PHE   7           HA       PHE   7  10.987  14.979  -3.347
   57    HB2  PHE   7           HB2      PHE   7   9.348  15.449  -1.321
   58    HB3  PHE   7           HB1      PHE   7   8.901  15.971  -2.957
   59    HD1  PHE   7           HD1      PHE   7   7.787  14.503  -0.071
   60    HD2  PHE   7           HD2      PHE   7   7.529  14.093  -4.257
   61    HE1  PHE   7           HE1      PHE   7   5.652  13.444   0.169
   62    HE2  PHE   7           HE2      PHE   7   5.368  13.036  -4.012
   63    HZ   PHE   7           HZ       PHE   7   4.438  12.730  -1.757
   64    H    PHE   8           HN       PHE   8   9.371  13.818  -0.591
   65    HA   PHE   8           HA       PHE   8  11.743  12.297   0.146
   66    HB2  PHE   8           HB2      PHE   8  10.402  13.448   2.515
   67    HB3  PHE   8           HB1      PHE   8  12.103  13.767   1.944
   68    HD1  PHE   8           HD1      PHE   8   8.718  14.758   1.942
   69    HD2  PHE   8           HD2      PHE   8  12.534  15.450   0.338
   70    HE1  PHE   8           HE1      PHE   8   7.865  16.705   0.815
   71    HE2  PHE   8           HE2      PHE   8  11.711  17.441  -0.753
   72    HZ   PHE   8           HZ       PHE   8   9.346  18.003  -0.549
   73    H    ARG   9           HN       ARG   9   8.941  12.052  -1.024
   74    HA   ARG   9           HA       ARG   9   7.132  10.870   0.654
   75    HB2  ARG   9           HB2      ARG   9   6.892  11.481  -1.859
   76    HB3  ARG   9           HB1      ARG   9   7.705   9.931  -2.204
   77    HG2  ARG   9           HG2      ARG   9   5.907   8.654  -1.173
   78    HG3  ARG   9           HG1      ARG   9   5.132  10.148  -0.538
   79    HD2  ARG   9           HD2      ARG   9   4.646  10.923  -2.878
   80    HD3  ARG   9           HD1      ARG   9   5.463   9.436  -3.539
   81    HE   ARG   9           HE       ARG   9   3.494   8.529  -1.697
   82   HH11  ARG   9          HH11      ARG   9   3.718  10.397  -4.722
   83   HH12  ARG   9          HH12      ARG   9   2.164   9.914  -5.317
   84   HH21  ARG   9          HH21      ARG   9   1.382   7.867  -2.508
   85   HH22  ARG   9          HH22      ARG   9   0.814   8.450  -4.036
   86    H    ASN  10           HN       ASN  10  10.048   9.483  -0.905
   87    HA   ASN  10           HA       ASN  10   9.365   6.814  -0.489
   88    HB2  ASN  10           HB2      ASN  10  12.100   8.205  -0.631
   89    HB3  ASN  10           HB1      ASN  10  11.911   6.416  -0.522
   90   HD21  ASN  10          HD21      ASN  10  12.102   9.117  -2.657
   91    H    PHE  11           HN       PHE  11  10.261   9.362   1.762
   92    HA   PHE  11           HA       PHE  11  10.669   7.275   3.791
   93    HB2  PHE  11           HB2      PHE  11  11.542  10.233   3.813
   94    HB3  PHE  11           HB1      PHE  11  11.710   9.102   5.210
   95    HD1  PHE  11           HD1      PHE  11  13.029  10.143   1.976
   96    HD2  PHE  11           HD2      PHE  11  13.310   7.267   5.095
   97    HE1  PHE  11           HE1      PHE  11  15.229   9.453   1.145
   98    HE2  PHE  11           HE2      PHE  11  15.510   6.581   4.261
   99    HZ   PHE  11           HZ       PHE  11  16.471   7.672   2.287
  100    H    ILE  12           HN       ILE  12   9.602  10.790   3.808
  101    HA   ILE  12           HA       ILE  12   7.020  10.329   4.322
  102    HB   ILE  12           HB       ILE  12   7.007   9.807   6.506
  103   HG12  ILE  12          HG12      ILE  12   6.617  12.345   6.393
  104   HG13  ILE  12          HG11      ILE  12   6.907  11.605   7.988
  105   HG21  ILE  12          HG21      ILE  12   9.173  10.211   7.997
  106   HG22  ILE  12          HG22      ILE  12   9.993  10.508   6.420
  107   HG23  ILE  12          HG23      ILE  12   9.204   8.918   6.743
  108   HD11  ILE  12          HD11      ILE  12   9.390  12.607   6.595
  109   HD12  ILE  12          HD12      ILE  12   8.874  12.777   8.317
  110   HD13  ILE  12          HD13      ILE  12   8.197  13.881   7.059
  111    H    LEU  13           HN       LEU  13   6.069  12.368   4.304
  112    HA   LEU  13           HA       LEU  13   8.030  14.462   3.844
  113    HB2  LEU  13           HB2      LEU  13   6.874  15.159   1.964
  114    HB3  LEU  13           HB1      LEU  13   6.606  13.377   1.917
  115    HG   LEU  13           HG       LEU  13   4.595  15.116   3.368
  116   HD11  LEU  13          HD11      LEU  13   3.895  14.794   0.525
  117   HD12  LEU  13          HD12      LEU  13   5.425  15.751   0.717
  118   HD13  LEU  13          HD13      LEU  13   3.907  16.277   1.556
  119   HD21  LEU  13          HD21      LEU  13   3.947  12.810   1.494
  120   HD22  LEU  13          HD22      LEU  13   3.185  13.284   3.057
  121   HD23  LEU  13          HD23      LEU  13   4.770  12.422   3.058
  122    H    GLN  14           HN       GLN  14   5.105  13.395   5.476
  123    HA   GLN  14           HA       GLN  14   4.170  14.174   7.285
  124    HB2  GLN  14           HB2      GLN  14   6.401  15.054   8.021
  125    HB3  GLN  14           HB1      GLN  14   6.038  16.590   7.153
  126    HG2  GLN  14           HG2      GLN  14   4.130  17.048   8.572
  127    HG3  GLN  14           HG1      GLN  14   4.251  15.416   9.346
  128   HE21  GLN  14          HE21      GLN  14   4.665  18.454  10.235
  129   HE22  GLN  14          HE22      GLN  14   6.129  18.389  11.155
  130    H    ARG  15           HN       ARG  15   4.777  16.737   4.835
  131    HA   ARG  15           HA       ARG  15   2.640  18.305   5.648
  132    HB2  ARG  15           HB2      ARG  15   4.156  18.075   3.030
  133    HB3  ARG  15           HB1      ARG  15   2.696  19.122   3.134
  134    HG2  ARG  15           HG2      ARG  15   4.472  20.611   3.602
  135    HG3  ARG  15           HG1      ARG  15   3.824  20.198   5.226
  136    HD2  ARG  15           HD2      ARG  15   5.734  18.271   5.131
  137    HD3  ARG  15           HD1      ARG  15   6.488  19.417   3.946
  138    HE   ARG  15           HE       ARG  15   6.046  19.885   6.854
  139   HH11  ARG  15          HH11      ARG  15   6.815  21.207   3.627
  140   HH12  ARG  15          HH12      ARG  15   7.599  22.629   4.229
  141   HH21  ARG  15          HH21      ARG  15   7.115  21.820   7.663
  142   HH22  ARG  15          HH22      ARG  15   7.773  22.982   6.561
  143    H    LYS  16           HN       LYS  16   2.725  15.577   3.317
  144    HA   LYS  16           HA       LYS  16  -0.069  16.062   2.776
  145    HB2  LYS  16           HB2      LYS  16   1.221  15.336   0.847
  146    HB3  LYS  16           HB1      LYS  16   1.935  13.986   1.778
  147    HG2  LYS  16           HG2      LYS  16  -0.170  12.772   1.817
  148    HG3  LYS  16           HG1      LYS  16  -1.064  14.187   1.150
  149    HD2  LYS  16           HD2      LYS  16  -0.671  12.520  -0.620
  150    HD3  LYS  16           HD1      LYS  16   0.261  14.018  -0.969
  151    HE2  LYS  16           HE2      LYS  16   2.348  12.951  -0.084
  152    HE3  LYS  16           HE1      LYS  16   1.415  11.446   0.309
  153    HZ1  LYS  16           HZ1      LYS  16   2.396  11.079  -1.742
  154    HZ2  LYS  16           HZ2      LYS  16   2.009  12.621  -2.346
  155    HZ3  LYS  16           HZ3      LYS  16   0.785  11.466  -2.122
  156    H    LYS  17           HN       LYS  17   1.839  14.489   5.130
  157    HA   LYS  17           HA       LYS  17  -0.259  12.507   5.617
  158    HB2  LYS  17           HB2      LYS  17   2.420  12.852   7.090
  159    HB3  LYS  17           HB1      LYS  17   1.277  11.472   7.251
  160    HG2  LYS  17           HG2      LYS  17   2.829  12.229   4.703
  161    HG3  LYS  17           HG1      LYS  17   3.261  10.909   5.838
  162    HD2  LYS  17           HD2      LYS  17   1.077   9.779   5.352
  163    HD3  LYS  17           HD1      LYS  17   0.643  11.103   4.216
  164    HE2  LYS  17           HE2      LYS  17   2.613  10.523   2.773
  165    HE3  LYS  17           HE1      LYS  17   3.055   9.186   3.918
  166    HZ1  LYS  17           HZ1      LYS  17   0.699   8.386   3.502
  167    HZ2  LYS  17           HZ2      LYS  17   1.831   8.202   2.249
  168    HZ3  LYS  17           HZ3      LYS  17   0.676   9.446   2.176