*HEADER    SIGNALING PROTEIN                       12-MAR-18   6COW              
*TITLE     CSP1                                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: COMPETENCE-STIMULATING PEPTIDE TYPE 1;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 25-41;                                        
*COMPND   5 SYNONYM: CSP-1;                                                      
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE;                       
*SOURCE   4 ORGANISM_TAXID: 1313                                                 
*KEYWDS    PNEUMOCOCCUS, QUORUM SENSING, SIGNALING MOLECULE, CSP, SIGNALING      
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.YANG                                                                
*REVDAT   1   29-AUG-18 6COW    0                                                
# Restraints file 1: CSP1TFE_NOErestraint.tbl
assign (resid   4 and name HA  ) (resid   4 and name HB#  )  2.6  0.9  0.9
assign (resid   4 and name HA  ) (resid   4 and (name HD1# or name HD2#  )) 2.9  1.0  1.0
assign (resid   4 and name HA  ) (resid   4 and (name HD2# or name HD1#  )) 2.7  0.9  0.9
assign (resid   4 and name HA  ) (resid   4 and name HN  )  2.8  1.0  1.0
assign (resid   4 and name HB#  ) (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  )  3.4  1.2  1.2
assign (resid   4 and (name HD2# or name HD1#  )) (resid   4 and name HN  )  3.5  1.2  1.2
assign (resid   4 and name HA  ) (resid   7 and name HN  )  2.6  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and (name HB2 or name HB1  )) 2.7  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and name HE#  )  4.6  1.6  1.6
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid   5 and name HA  ) (resid   5 and name HN  )  2.2  0.8  0.8
assign (resid   5 and name HB#  ) (resid   5 and name HN  )  3.2  1.1  1.1
assign (resid   5 and name HA  ) (resid   7 and (name HB2 or name HB1  )) 2.2  0.8  2.0
assign (resid   5 and name HA  ) (resid   8 and name HN  )  2.9  1.0  1.0
assign (resid   5 and name HN  ) (resid   8 and name HB#  )  3.6  1.3  1.3
assign (resid   6 and name HA  ) (resid   6 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   6 and name HA  ) (resid   6 and (name HB2 or name HB1  )) 2.8  1.0  1.0
assign (resid   6 and name HA  ) (resid   6 and name HD#  )  2.8  1.0  1.0
assign (resid   6 and name HA  ) (resid   6 and name HG#  )  2.8  1.0  1.0
assign (resid   6 and name HA  ) (resid   6 and name HN  )  2.8  1.0  1.0
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and name HN  )  2.6  0.9  0.9
assign (resid   6 and name HG#  ) (resid   6 and name HN  )  3.6  1.3  1.3
assign (resid   6 and name HA  ) (resid   7 and name HN  )  3.2  1.1  1.1
assign (resid   6 and (name HB1 or name HB2  )) (resid   7 and name HN  )  2.4  0.8  0.8
assign (resid   6 and name HA  ) (resid   9 and (name HB1 or name HB2  )) 2.8  1.0  1.0
assign (resid   6 and name HA  ) (resid   9 and name HD#  )  3.4  1.2  1.2
assign (resid   6 and name HA  ) (resid   9 and name HG#  )  2.8  1.0  1.0
assign (resid   6 and name HA  ) (resid   9 and name HN  )  2.9  1.0  1.0
assign (resid   6 and name HA  ) (resid  10 and name HN  )  3.5  1.2  1.2
assign (resid   7 and name HA  ) (resid   7 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   7 and name HA  ) (resid   7 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid   7 and name HA  ) (resid   7 and name HE#  )  3.8  1.3  1.3
assign (resid   7 and name HA  ) (resid   7 and name HN  )  3.0  1.0  1.0
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and name HE#  )  3.0  1.0  1.0
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 HB2 or name HB1  )) (resid   7 and name HE#  )  2.9  1.0  1.0
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 HE#  ) (resid   7 and name HN  )  3.8  1.3  1.3
assign (resid   7 and name HA  ) (resid   8 and name HD#  )  2.9  1.0  1.3
assign (resid   7 and name HA  ) (resid   8 and name HN  )  3.1  1.1  1.1
assign (resid   7 and (name HB1 or name HB2  )) (resid   8 and name HD#  )  2.4  0.8  0.8
assign (resid   7 and (name HB1 or name HB2  )) (resid   8 and name HE#  )  2.8  1.0  1.0
assign (resid   7 and (name HB2 or name HB1  )) (resid   8 and name HD#  )  2.4  0.8  0.8
assign (resid   7 and (name HB2 or name HB1  )) (resid   8 and name HE#  )  2.8  1.0  1.0
assign (resid   7 and (name HB2 or name HB1  )) (resid   8 and name HN  )  2.3  0.8  0.8
assign (resid   7 and name HN  ) (resid   8 and name HN  )  2.9  1.0  1.0
assign (resid   7 and name HN  ) (resid   9 and name HN  )  2.6  0.9  0.9
assign (resid   7 and (name HB2 or name HB1  )) (resid  11 and name HE#  )  4.1  1.4  1.4
assign (resid   7 and name HN  ) (resid  11 and name HE#  )  4.4  1.5  3.0
assign (resid   8 and name HA  ) (resid   8 and name HB#  )  2.5  0.9  0.9
assign (resid   8 and name HA  ) (resid   8 and name HN  )  2.8  1.0  1.0
assign (resid   8 and name HB#  ) (resid   8 and name HN  )  2.5  0.9  0.9
assign (resid   8 and name HD#  ) (resid   8 and name HN  )  3.5  1.2  1.2
assign (resid   8 and name HB#  ) (resid   9 and name HN  )  2.4  0.8  0.8
assign (resid   8 and name HA  ) (resid  10 and name HN  )  3.4  1.2  1.2
assign (resid   8 and name HB#  ) (resid  10 and name HN  )  3.0  1.0  1.2
assign (resid   8 and name HD#  ) (resid  10 and name HN  )  4.2  1.5  1.5
assign (resid   8 and name HA  ) (resid  11 and name HD#  )  2.9  1.0  1.0
assign (resid   8 and name HB#  ) (resid  11 and name HD#  )  2.8  1.0  1.0
assign (resid   8 and name HD#  ) (resid  11 and name HA  )  3.2  1.1  2.7
assign (resid   8 and name HD#  ) (resid  11 and (name HB1 or name HB2  )) 3.0  1.1  1.1
assign (resid   8 and name HD#  ) (resid  11 and (name HB2 or name HB1  )) 3.2  1.1  1.1
assign (resid   8 and name HD#  ) (resid  11 and name HN  )  3.3  1.2  1.2
assign (resid   8 and name HN  ) (resid  11 and name HD#  )  3.1  1.1  1.1
assign (resid   8 and name HN  ) (resid  11 and name HN  )  4.2  1.5  1.5
assign (resid   8 and name HA  ) (resid  12 and name HB  )  2.9  1.0  1.0
assign (resid   8 and name HA  ) (resid  12 and name HD#  )  2.8  1.0  1.0
assign (resid   8 and name HA  ) (resid  12 and (name HG11 or name HG12  )) 2.4  0.8  0.8
assign (resid   8 and name HA  ) (resid  12 and (name HG12 or name HG11  )) 3.1  1.1  1.1
assign (resid   8 and name HA  ) (resid  12 and (name HG2# or name HD1#  )) 2.8  1.0  1.0
assign (resid   8 and name HD#  ) (resid  12 and name HA  )  3.4  1.2  2.4
assign (resid   8 and name HD#  ) (resid  12 and name HB  )  4.6  1.6  1.6
assign (resid   8 and name HD#  ) (resid  12 and name HD#  )  4.0  1.4  1.4
assign (resid   8 and name HD#  ) (resid  12 and (name HG11 or name HG12  )) 4.2  1.5  1.5
assign (resid   8 and name HD#  ) (resid  12 and (name HG12 or name HG11  )) 3.9  1.4  1.4
assign (resid   8 and name HD#  ) (resid  12 and (name HG2# or name HD1#  )) 3.9  1.4  1.4
assign (resid   8 and name HD#  ) (resid  12 and name HN  )  3.1  1.1  1.1
assign (resid   8 and name HE#  ) (resid  12 and name HD#  )  3.9  1.4  1.4
assign (resid   8 and name HE#  ) (resid  12 and (name HG2# or name HD1#  )) 4.0  1.4  1.4
assign (resid   8 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 3.6  1.3  1.3
assign (resid   9 and name HA  ) (resid   9 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and name HD#  )  3.3  1.2  1.2
assign (resid   9 and name HA  ) (resid   9 and name HG#  )  2.9  1.0  1.0
assign (resid   9 and name HA  ) (resid   9 and name HN  )  2.8  1.0  1.0
assign (resid   9 and (name HB1 or name HB2  )) (resid   9 and name HD#  )  2.6  0.9  0.9
assign (resid   9 and (name HB1 or name HB2  )) (resid   9 and name HN  )  2.6  0.9  0.9
assign (resid   9 and name HD#  ) (resid   9 and name HG#  )  2.5  0.9  0.9
assign (resid   9 and name HD#  ) (resid   9 and name HN  )  3.5  1.2  1.2
assign (resid   9 and name HG#  ) (resid   9 and name HN  )  2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid  10 and name HN  )  3.2  1.1  1.1
assign (resid   9 and (name HB1 or name HB2  )) (resid  10 and name HA  )  3.1  1.1  1.1
assign (resid   9 and (name HB1 or name HB2  )) (resid  10 and name HN  )  2.8  1.0  1.0
assign (resid   9 and name HD#  ) (resid  10 and name HN  )  3.5  1.2  1.2
assign (resid   9 and name HG#  ) (resid  10 and name HA  )  2.9  1.0  1.0
assign (resid   9 and name HG#  ) (resid  10 and name HN  )  3.8  1.3  1.3
assign (resid   9 and name HN  ) (resid  10 and (name HB1 or name HB2  )) 4.3  1.5  1.5
assign (resid   9 and name HN  ) (resid  10 and (name HB2 or name HB1  )) 3.2  1.1  1.1
assign (resid   9 and name HN  ) (resid  10 and name HN  )  2.9  1.0  1.0
assign (resid   9 and name HA  ) (resid  11 and name HD#  )  4.1  1.4  1.4
assign (resid   9 and name HA  ) (resid  11 and name HN  )  3.2  1.1  1.1
assign (resid   9 and (name HB1 or name HB2  )) (resid  11 and name HN  )  3.8  1.3  1.3
assign (resid   9 and name HN  ) (resid  11 and (name HB1 or name HB2  )) 5.0  1.8  1.8
assign (resid   9 and name HN  ) (resid  11 and name HD#  )  2.7  0.9  1.8
assign (resid   9 and name HA  ) (resid  12 and name HD#  )  2.7  0.9  0.9
assign (resid   9 and name HA  ) (resid  12 and (name HG11 or name HG12  )) 3.5  1.2  1.2
assign (resid   9 and name HA  ) (resid  12 and (name HG12 or name HG11  )) 3.3  1.2  1.2
assign (resid   9 and name HA  ) (resid  12 and (name HG2# or name HD1#  )) 2.7  0.9  0.9
assign (resid   9 and name HA  ) (resid  12 and name HN  )  3.3  1.2  1.2
assign (resid   9 and name HD#  ) (resid  12 and name HD#  )  4.5  1.6  1.6
assign (resid   9 and name HA  ) (resid  13 and (name HB2 or name HB1  )) 3.2  1.1  1.1
assign (resid   9 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 3.1  1.1  1.1
assign (resid   9 and name HA  ) (resid  13 and (name HD2# or name HD1#  )) 2.6  0.9  0.9
assign (resid   9 and name HA  ) (resid  13 and name HG  )  2.6  0.9  0.9
assign (resid   9 and name HA  ) (resid  13 and name HN  )  3.2  1.1  1.1
assign (resid   9 and (name HB1 or name HB2  )) (resid  13 and (name HD1# or name HD2#  )) 3.3  1.2  1.2
assign (resid   9 and name HD#  ) (resid  13 and (name HD1# or name HD2#  )) 3.2  1.1  1.1
assign (resid   9 and name HD#  ) (resid  13 and (name HD2# or name HD1#  )) 3.4  1.2  1.2
assign (resid  10 and name HA  ) (resid  10 and (name HB1 or name HB2  )) 2.7  0.9  0.9
assign (resid  10 and name HA  ) (resid  10 and (name HB2 or name HB1  )) 2.7  0.9  0.9
assign (resid  10 and name HA  ) (resid  10 and name HN  )  2.8  1.0  1.0
assign (resid  10 and (name HB1 or name HB2  )) (resid  10 and name HN  )  2.7  0.9  0.9
assign (resid  10 and (name HB2 or name HB1  )) (resid  10 and name HN  )  3.2  1.1  1.1
assign (resid  10 and name HA  ) (resid  11 and name HN  )  2.7  0.9  0.9
assign (resid  10 and (name HB1 or name HB2  )) (resid  11 and name HA  )  3.4  1.2  1.2
assign (resid  10 and (name HB1 or name HB2  )) (resid  11 and name HN  )  2.9  1.0  1.0
assign (resid  10 and (name HB2 or name HB1  )) (resid  11 and name HA  )  2.8  1.0  1.0
assign (resid  10 and (name HB2 or name HB1  )) (resid  11 and name HN  )  3.1  1.1  1.1
assign (resid  10 and name HN  ) (resid  11 and (name HB1 or name HB2  )) 3.9  1.4  1.4
assign (resid  10 and name HN  ) (resid  11 and (name HB2 or name HB1  )) 4.0  1.4  1.4
assign (resid  10 and name HN  ) (resid  11 and name HN  )  2.8  1.0  1.0
assign (resid  10 and (name HB1 or name HB2  )) (resid  12 and name HN  )  3.8  1.3  1.3
assign (resid  10 and (name HB2 or name HB1  )) (resid  12 and name HN  )  4.1  1.4  1.4
assign (resid  10 and name HN  ) (resid  12 and name HN  )  3.6  1.3  1.3
assign (resid  10 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 2.9  1.0  1.0
assign (resid  10 and name HA  ) (resid  13 and (name HB2 or name HB1  )) 2.2  0.8  0.8
assign (resid  10 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid  10 and name HA  ) (resid  13 and name HG  )  3.1  1.1  1.1
assign (resid  10 and name HA  ) (resid  13 and name HN  )  2.2  0.8  1.2
assign (resid  10 and name HN  ) (resid  13 and (name HD1# or name HD2#  )) 4.4  1.5  1.5
assign (resid  10 and name HA  ) (resid  14 and name HN  )  3.9  1.4  1.4
assign (resid  11 and name HA  ) (resid  11 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid  11 and name HA  ) (resid  11 and (name HB2 or name HB1  )) 2.8  1.0  1.0
assign (resid  11 and name HA  ) (resid  11 and name HD#  )  3.1  1.1  1.1
assign (resid  11 and name HA  ) (resid  11 and name HE#  )  3.5  1.2  1.4
assign (resid  11 and name HA  ) (resid  11 and name HN  )  2.7  0.9  0.9
assign (resid  11 and (name HB1 or name HB2  )) (resid  11 and name HE#  )  3.1  1.1  1.1
assign (resid  11 and (name HB1 or name HB2  )) (resid  11 and name HN  )  2.8  1.0  1.0
assign (resid  11 and (name HB2 or name HB1  )) (resid  11 and name HE#  )  3.8  1.3  1.3
assign (resid  11 and (name HB2 or name HB1  )) (resid  11 and name HN  )  2.9  1.0  1.0
assign (resid  11 and name HA  ) (resid  12 and name HB  )  2.2  0.8  3.0
assign (resid  11 and name HA  ) (resid  12 and (name HG11 or name HG12  )) 2.6  0.9  1.9
assign (resid  11 and name HA  ) (resid  12 and (name HG12 or name HG11  )) 3.3  1.2  1.2
assign (resid  11 and name HA  ) (resid  12 and name HN  )  2.9  1.0  1.0
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and name HB  )  3.7  1.3  1.3
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and name HN  )  2.9  1.0  1.0
assign (resid  11 and (name HB2 or name HB1  )) (resid  12 and name HN  )  3.4  1.2  1.2
assign (resid  11 and name HD#  ) (resid  12 and name HB  )  3.9  1.3  1.3
assign (resid  11 and name HD#  ) (resid  12 and name HD#  )  2.9  1.0  1.0
assign (resid  11 and name HD#  ) (resid  12 and (name HG11 or name HG12  )) 4.2  1.5  1.5
assign (resid  11 and name HD#  ) (resid  12 and (name HG12 or name HG11  )) 4.6  1.6  1.6
assign (resid  11 and name HD#  ) (resid  12 and (name HG2# or name HD1#  )) 3.1  1.1  1.1
assign (resid  11 and name HE#  ) (resid  12 and name HA  )  4.4  1.5  1.5
assign (resid  11 and name HE#  ) (resid  12 and name HB  )  4.1  1.4  1.4
assign (resid  11 and name HE#  ) (resid  12 and name HD#  )  2.6  0.9  0.9
assign (resid  11 and name HE#  ) (resid  12 and (name HG11 or name HG12  )) 3.8  1.3  1.3
assign (resid  11 and name HE#  ) (resid  12 and (name HG12 or name HG11  )) 4.1  1.4  1.4
assign (resid  11 and name HE#  ) (resid  12 and (name HG2# or name HD1#  )) 2.7  0.9  0.9
assign (resid  11 and name HN  ) (resid  12 and name HA  )  4.1  1.4  1.4
assign (resid  11 and name HN  ) (resid  12 and name HB  )  3.4  1.2  1.2
assign (resid  11 and name HN  ) (resid  12 and name HD#  )  4.4  1.5  1.5
assign (resid  11 and name HN  ) (resid  12 and (name HG12 or name HG11  )) 4.1  1.4  1.4
assign (resid  11 and name HN  ) (resid  12 and (name HG2# or name HD1#  )) 4.1  1.4  1.4
assign (resid  11 and name HN  ) (resid  12 and name HN  )  2.8  1.0  1.0
assign (resid  11 and name HZ  ) (resid  12 and name HD#  )  2.4  0.8  0.8
assign (resid  11 and name HZ  ) (resid  12 and (name HG2# or name HD1#  )) 2.4  0.8  0.8
assign (resid  11 and name HA  ) (resid  13 and name HN  )  2.2  0.8  1.4
assign (resid  11 and (name HB1 or name HB2  )) (resid  13 and name HN  )  3.8  1.3  1.3
assign (resid  11 and (name HB2 or name HB1  )) (resid  13 and name HN  )  4.2  1.5  1.5
assign (resid  11 and name HD#  ) (resid  13 and (name HD1# or name HD2#  )) 3.7  1.3  1.3
assign (resid  11 and name HE#  ) (resid  13 and (name HB1 or name HB2  )) 4.1  1.4  2.8
assign (resid  11 and name HE#  ) (resid  13 and (name HD1# or name HD2#  )) 3.2  1.1  2.1
assign (resid  11 and name HZ  ) (resid  13 and (name HD1# or name HD2#  )) 2.7  0.9  3.6
assign (resid  11 and name HA  ) (resid  14 and (name HB2 or name HB1  )) 3.3  1.2  1.2
assign (resid  11 and name HA  ) (resid  14 and name HE2#  )  3.6  1.3  1.3
assign (resid  11 and name HA  ) (resid  14 and (name HG1 or name HG2  )) 2.8  1.0  1.0
assign (resid  11 and name HA  ) (resid  14 and (name HG2 or name HG1  )) 3.5  1.2  1.2
assign (resid  11 and name HA  ) (resid  14 and name HN  )  3.6  1.3  1.3
assign (resid  12 and name HA  ) (resid  12 and name HB  )  2.8  1.0  1.0
assign (resid  12 and name HA  ) (resid  12 and name HD#  )  2.4  0.8  1.0
assign (resid  12 and name HA  ) (resid  12 and (name HG11 or name HG12  )) 3.0  1.0  1.0
assign (resid  12 and name HA  ) (resid  12 and (name HG12 or name HG11  )) 2.9  1.0  1.0
assign (resid  12 and name HA  ) (resid  12 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid  12 and name HA  ) (resid  12 and name HN  )  2.8  1.0  1.0
assign (resid  12 and name HB  ) (resid  12 and name HD#  )  2.4  0.8  0.8
assign (resid  12 and name HB  ) (resid  12 and (name HG11 or name HG12  )) 2.7  0.9  0.9
assign (resid  12 and name HB  ) (resid  12 and (name HG12 or name HG11  )) 2.9  1.0  1.0
assign (resid  12 and name HB  ) (resid  12 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid  12 and name HB  ) (resid  12 and name HN  )  2.6  0.9  0.9
assign (resid  12 and name HD#  ) (resid  12 and name HN  )  2.6  0.9  0.9
assign (resid  12 and (name HG11 or name HG12  )) (resid  12 and name HN  )  2.9  1.0  1.0
assign (resid  12 and (name HG12 or name HG11  )) (resid  12 and name HN  )  2.9  1.0  1.0
assign (resid  12 and (name HG2# or name HD1#  )) (resid  12 and name HN  )  2.8  1.0  1.0
assign (resid  12 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 3.7  1.3  1.3
assign (resid  12 and name HA  ) (resid  13 and name HN  )  3.0  1.1  1.1
assign (resid  12 and name HB  ) (resid  13 and (name HD1# or name HD2#  )) 3.0  1.0  1.0
assign (resid  12 and name HB  ) (resid  13 and (name HD2# or name HD1#  )) 3.7  1.3  1.3
assign (resid  12 and name HB  ) (resid  13 and name HN  )  2.8  1.0  1.0
assign (resid  12 and name HD#  ) (resid  13 and name HN  )  2.6  0.9  1.4
assign (resid  12 and (name HG11 or name HG12  )) (resid  13 and name HN  )  3.0  1.0  1.0
assign (resid  12 and (name HG12 or name HG11  )) (resid  13 and name HN  )  3.8  1.3  1.3
assign (resid  12 and (name HG2# or name HD1#  )) (resid  13 and name HA  )  3.1  1.1  1.1
assign (resid  12 and (name HG2# or name HD1#  )) (resid  13 and name HN  )  3.0  1.0  1.0
assign (resid  12 and name HN  ) (resid  13 and name HA  )  3.4  1.2  1.4
assign (resid  12 and name HN  ) (resid  13 and name HN  )  2.8  1.0  1.0
assign (resid  12 and name HA  ) (resid  14 and name HN  )  3.8  1.3  1.3
assign (resid  12 and name HB  ) (resid  14 and name HN  )  4.2  1.5  1.5
assign (resid  12 and (name HG2# or name HD1#  )) (resid  14 and name HN  )  4.1  1.4  1.4
assign (resid  12 and name HN  ) (resid  14 and name HN  )  3.7  1.3  1.3
assign (resid  12 and name HA  ) (resid  15 and (name HB1 or name HB2  )) 3.4  1.2  1.2
assign (resid  12 and name HA  ) (resid  15 and (name HB2 or name HB1  )) 3.2  1.1  1.1
assign (resid  12 and name HA  ) (resid  15 and name HD#  )  3.3  1.2  1.2
assign (resid  12 and name HA  ) (resid  15 and name HG#  )  3.4  1.2  1.2
assign (resid  12 and name HA  ) (resid  15 and name HN  )  3.9  1.3  1.3
assign (resid  12 and name HN  ) (resid  15 and name HN  )  4.9  1.7  1.7
assign (resid  13 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 2.7  0.9  0.9
assign (resid  13 and name HA  ) (resid  13 and (name HB2 or name HB1  )) 2.9  1.0  1.0
assign (resid  13 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid  13 and name HA  ) (resid  13 and (name HD2# or name HD1#  )) 2.6  0.9  0.9
assign (resid  13 and name HA  ) (resid  13 and name HG  )  2.7  0.9  0.9
assign (resid  13 and name HA  ) (resid  13 and name HN  )  2.7  0.9  0.9
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and (name HD1# or name HD2#  )) 2.6  0.9  0.9
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and (name HD2# or name HD1#  )) 2.9  1.0  1.0
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 HN  )  2.7  0.9  0.9
assign (resid  13 and (name HD1# or name HD2#  )) (resid  13 and name HG  )  2.7  0.9  0.9
assign (resid  13 and (name HD1# or name HD2#  )) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  13 and (name HD2# or name HD1#  )) (resid  13 and name HG  )  2.7  0.9  0.9
assign (resid  13 and (name HD2# or name HD1#  )) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  13 and name HG  ) (resid  13 and name HN  )  2.9  1.0  1.0
assign (resid  13 and name HA  ) (resid  14 and name HN  )  3.0  1.0  1.0
assign (resid  13 and (name HB1 or name HB2  )) (resid  14 and name HN  )  3.1  1.1  1.1
assign (resid  13 and (name HB2 or name HB1  )) (resid  14 and name HN  )  3.6  1.3  1.3
assign (resid  13 and (name HD1# or name HD2#  )) (resid  14 and name HN  )  4.0  1.4  1.4
assign (resid  13 and (name HD2# or name HD1#  )) (resid  14 and name HN  )  4.0  1.4  1.4
assign (resid  13 and name HG  ) (resid  14 and name HN  )  3.2  1.1  1.3
assign (resid  13 and name HN  ) (resid  14 and name HA  )  4.2  1.5  1.5
assign (resid  13 and name HN  ) (resid  14 and (name HB1 or name HB2  )) 4.8  1.7  1.7
assign (resid  13 and name HN  ) (resid  14 and (name HB2 or name HB1  )) 4.2  1.5  1.5
assign (resid  13 and name HN  ) (resid  14 and (name HG1 or name HG2  )) 4.2  1.5  1.5
assign (resid  13 and name HN  ) (resid  14 and (name HG2 or name HG1  )) 4.5  1.6  1.6
assign (resid  13 and name HN  ) (resid  14 and name HN  )  2.9  1.0  1.0
assign (resid  13 and name HA  ) (resid  15 and name HN  )  4.0  1.4  1.4
assign (resid  14 and name HA  ) (resid  14 and (name HB1 or name HB2  )) 2.7  0.9  0.9
assign (resid  14 and name HA  ) (resid  14 and (name HB2 or name HB1  )) 2.9  1.0  1.0
assign (resid  14 and name HA  ) (resid  14 and (name HG1 or name HG2  )) 3.1  1.1  1.1
assign (resid  14 and name HA  ) (resid  14 and (name HG2 or name HG1  )) 2.9  1.0  1.0
assign (resid  14 and name HA  ) (resid  14 and name HN  )  2.8  1.0  1.0
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and name HN  )  3.0  1.0  1.0
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and name HN  )  2.9  1.0  1.0
assign (resid  14 and name HE2#  ) (resid  14 and (name HG1 or name HG2  )) 3.8  1.3  1.3
assign (resid  14 and name HE2#  ) (resid  14 and (name HG2 or name HG1  )) 3.7  1.3  1.3
assign (resid  14 and (name HG1 or name HG2  )) (resid  14 and name HN  )  3.5  1.2  1.2
assign (resid  14 and (name HG2 or name HG1  )) (resid  14 and name HN  )  3.4  1.2  1.2
assign (resid  14 and name HA  ) (resid  15 and name HN  )  2.6  0.9  0.9
assign (resid  14 and (name HB1 or name HB2  )) (resid  15 and name HN  )  3.5  1.2  1.2
assign (resid  14 and (name HB2 or name HB1  )) (resid  15 and name HN  )  3.5  1.2  1.2
assign (resid  14 and (name HG1 or name HG2  )) (resid  15 and name HN  )  3.9  1.4  1.4
assign (resid  14 and (name HG2 or name HG1  )) (resid  15 and name HN  )  4.3  1.5  1.5
assign (resid  14 and name HN  ) (resid  15 and name HN  )  3.0  1.0  1.0
assign (resid  15 and name HA  ) (resid  15 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and name HD#  )  2.4  0.8  0.8
assign (resid  15 and name HA  ) (resid  15 and name HG#  )  2.8  1.0  1.0
assign (resid  15 and name HA  ) (resid  15 and name HN  )  2.5  0.9  0.9
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and name HD#  )  2.9  1.0  1.0
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and name HN  )  3.1  1.1  1.1
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HD#  )  2.3  0.8  0.8
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HN  )  3.0  1.0  1.0
assign (resid  15 and name HD#  ) (resid  15 and name HG#  )  2.6  0.9  0.9
assign (resid  15 and name HD#  ) (resid  15 and name HN  )  3.1  1.1  1.1
assign (resid  15 and name HG#  ) (resid  15 and name HN  )  3.0  1.1  1.1
assign (resid  15 and name HA  ) (resid  16 and name HN  )  2.3  0.8  0.8
assign (resid  15 and name HN  ) (resid  16 and name HN  )  3.4  1.2  1.2
assign (resid  15 and name HA  ) (resid  17 and name HN  )  3.9  1.4  1.4
assign (resid  15 and name HG#  ) (resid  17 and name HN  )  3.8  1.3  1.3
assign (resid  16 and name HA  ) (resid  16 and (name HB1 or name HB2  )) 2.2  0.8  0.8
assign (resid  16 and name HA  ) (resid  16 and (name HB2 or name HB1  )) 2.9  1.0  1.0
assign (resid  16 and name HA  ) (resid  16 and name HD#  )  2.3  0.8  0.8
assign (resid  16 and name HA  ) (resid  16 and name HG#  )  2.9  1.0  1.0
assign (resid  16 and name HA  ) (resid  16 and name HN  )  2.4  0.8  0.8
assign (resid  16 and (name HB1 or name HB2  )) (resid  16 and name HN  )  2.2  0.8  0.8
assign (resid  16 and (name HB2 or name HB1  )) (resid  16 and name HN  )  2.2  0.8  0.8
assign (resid  16 and name HG#  ) (resid  16 and name HN  )  2.8  1.0  1.0
assign (resid  16 and name HA  ) (resid  17 and name HN  )  2.7  0.9  0.9
assign (resid  16 and (name HB1 or name HB2  )) (resid  17 and name HN  )  2.8  1.0  1.0
assign (resid  16 and name HN  ) (resid  17 and name HA  )  2.2  0.8  1.9
assign (resid  16 and name HN  ) (resid  17 and name HN  )  3.4  1.2  1.2
assign (resid  17 and name HA  ) (resid  17 and (name HB1 or name HB2  )) 2.9  1.0  1.0
assign (resid  17 and name HA  ) (resid  17 and (name HB2 or name HB1  )) 2.9  1.0  1.0
assign (resid  17 and name HA  ) (resid  17 and name HG#  )  3.2  1.1  1.1
assign (resid  17 and name HA  ) (resid  17 and name HN  )  3.0  1.0  1.0
assign (resid  17 and (name HB1 or name HB2  )) (resid  17 and name HN  )  2.8  1.0  1.0
assign (resid  17 and (name HB2 or name HB1  )) (resid  17 and name HN  )  3.0  1.0  1.0
assign (resid  17 and name HD#  ) (resid  17 and name HN  )  2.6  0.9  0.9
assign (resid  17 and name HG#  ) (resid  17 and name HN  )  3.0  1.1  1.1
# Restraints file 2: CSP1TFE_hbda.tbl
!helix 1
!assign (resid  9 and name n)(resid  9 and name hn) (resid  5 and name o)
assign (resid  10 and name n)(resid  10 and name hn) (resid  6 and name o)
assign (resid  11 and name n)(resid  11 and name hn) (resid  7 and name o)
assign (resid 12 and name n)(resid 12 and name hn) (resid  8 and name o)
assign (resid 13 and name n)(resid 13 and name hn) (resid  9 and name o)
# Restraints file 3: CSP1TFE_hbonds.tbl
!! helix 1:

!assign ( resid  5  and name O ) ( resid  9  and name HN ) 1.9 0.4 0.6
!assign ( resid  5  and name O ) ( resid  9  and name N  ) 2.9 0.5 0.7

assign ( resid  6  and name O ) ( resid  10  and name HN ) 1.9 0.4 0.6
assign ( resid  6  and name O ) ( resid  10  and name N  ) 2.9 0.5 0.7

assign ( resid  7  and name O ) ( resid  11  and name HN ) 1.9 0.4 0.6
assign ( resid  7  and name O ) ( resid  11  and name N  ) 2.9 0.5 0.7

assign ( resid  8  and name O ) ( resid 12  and name HN ) 1.9 0.4 0.6
assign ( resid  8  and name O ) ( resid 12  and name N  ) 2.9 0.5 0.7

assign ( resid  9  and name O ) ( resid 13  and name HN ) 1.9 0.4 0.6
assign ( resid  9  and name O ) ( resid 13  and name N  ) 2.9 0.5 0.7



# Restraints file 4: CSP1TFE_phi_psi_dihe.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    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0  -61.4   20.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  -38.1   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  -66.4   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  -40.6   20.0 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0  -65.3   20.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  -43.8   20.0 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -64.4   20.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  -41.7   20.0 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -61.8   20.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  -42.2   20.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -65.8   20.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  -38.6   20.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -67.0   20.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -43.4   20.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -64.9   20.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -40.4   20.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -63.8   20.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -32.6   20.0 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -78.6   21.8 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  -19.0   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.
assign (resid   14 and name C    ) (resid   15 and name N   )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -91.1   31.3 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0   -5.2   30.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name CB   ) (resid    8 and name CG   )    1.0  180.0   30.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name CB   ) (resid   11 and name CG   )    1.0  180.0   30.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name CB   ) (resid   14 and name CG   )    1.0  -60.0   30.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           HT1      GLU   1  48.586  21.557 -12.489
    2    H2   GLU   1           HT2      GLU   1  47.171  21.311 -13.394
    3    H3   GLU   1           HT3      GLU   1  48.611  21.756 -14.177
    4    HA   GLU   1           HA       GLU   1  49.354  19.717 -14.290
    5    HB2  GLU   1           HB2      GLU   1  48.269  19.338 -11.412
    6    HB3  GLU   1           HB1      GLU   1  49.135  18.035 -12.312
    7    HG2  GLU   1           HG2      GLU   1  51.196  19.492 -12.469
    8    HG3  GLU   1           HG1      GLU   1  50.341  20.806 -11.572
    9    H    MET   2           HN       MET   2  48.031  19.155 -16.044
   10    HA   MET   2           HA       MET   2  45.546  17.708 -15.353
   11    HB2  MET   2           HB2      MET   2  46.175  19.418 -17.855
   12    HB3  MET   2           HB1      MET   2  44.719  18.370 -17.690
   13    HG2  MET   2           HG2      MET   2  43.968  19.717 -15.720
   14    HG3  MET   2           HG1      MET   2  45.410  20.774 -15.889
   15    HE1  MET   2           HE1      MET   2  42.403  23.056 -16.920
   16    HE2  MET   2           HE2      MET   2  43.810  22.810 -15.828
   17    HE3  MET   2           HE3      MET   2  42.388  21.714 -15.725
   18    H    ARG   3           HN       ARG   3  48.686  17.121 -15.936
   19    HA   ARG   3           HA       ARG   3  48.109  14.824 -17.694
   20    HB2  ARG   3           HB2      ARG   3  50.627  16.624 -17.745
   21    HB3  ARG   3           HB1      ARG   3  50.526  15.016 -18.554
   22    HG2  ARG   3           HG2      ARG   3  48.652  15.859 -19.997
   23    HG3  ARG   3           HG1      ARG   3  48.758  17.467 -19.197
   24    HD2  ARG   3           HD2      ARG   3  51.126  17.741 -20.054
   25    HD3  ARG   3           HD1      ARG   3  51.004  16.118 -20.873
   26    HE   ARG   3           HE       ARG   3  48.763  17.728 -21.714
   27   HH11  ARG   3          HH11      ARG   3  52.351  17.636 -22.086
   28   HH12  ARG   3          HH12      ARG   3  52.340  18.419 -23.630
   29   HH21  ARG   3          HH21      ARG   3  48.808  18.780 -23.801
   30   HH22  ARG   3          HH22      ARG   3  50.310  19.075 -24.611
   31    H    LEU   4           HN       LEU   4  49.549  12.988 -17.328
   32    HA   LEU   4           HA       LEU   4  50.614  11.499 -16.163
   33    HB2  LEU   4           HB2      LEU   4  51.593  13.658 -14.184
   34    HB3  LEU   4           HB1      LEU   4  52.154  11.953 -14.204
   35    HG   LEU   4           HG       LEU   4  52.534  13.944 -16.535
   36   HD11  LEU   4          HD11      LEU   4  54.926  14.096 -15.839
   37   HD12  LEU   4          HD12      LEU   4  54.593  13.043 -14.410
   38   HD13  LEU   4          HD13      LEU   4  53.827  14.673 -14.529
   39   HD21  LEU   4          HD21      LEU   4  54.412  12.124 -17.138
   40   HD22  LEU   4          HD22      LEU   4  52.700  11.838 -17.602
   41   HD23  LEU   4          HD23      LEU   4  53.385  11.012 -16.151
   42    H    SER   5           HN       SER   5  47.825  12.831 -15.369
   43    HA   SER   5           HA       SER   5  47.496  11.653 -12.736
   44    HB2  SER   5           HB2      SER   5  45.131  12.502 -12.858
   45    HB3  SER   5           HB1      SER   5  46.314  13.817 -13.201
   46    HG   SER   5           HG       SER   5  45.523  12.402 -15.419
   47    H    LYS   6           HN       LYS   6  47.364  10.686 -16.051
   48    HA   LYS   6           HA       LYS   6  45.333   8.635 -15.724
   49    HB2  LYS   6           HB2      LYS   6  47.278   9.266 -18.038
   50    HB3  LYS   6           HB1      LYS   6  45.924   8.073 -18.109
   51    HG2  LYS   6           HG2      LYS   6  44.267   9.915 -17.712
   52    HG3  LYS   6           HG1      LYS   6  45.604  11.114 -17.623
   53    HD2  LYS   6           HD2      LYS   6  46.247  10.553 -19.989
   54    HD3  LYS   6           HD1      LYS   6  44.878   9.389 -20.069
   55    HE2  LYS   6           HE2      LYS   6  43.238  11.273 -19.712
   56    HE3  LYS   6           HE1      LYS   6  44.612  12.449 -19.596
   57    HZ1  LYS   6           HZ1      LYS   6  43.303  11.473 -21.871
   58    HZ2  LYS   6           HZ2      LYS   6  44.919  10.958 -21.942
   59    HZ3  LYS   6           HZ3      LYS   6  44.561  12.608 -21.761
   60    H    PHE   7           HN       PHE   7  48.767   9.100 -15.272
   61    HA   PHE   7           HA       PHE   7  49.648   6.381 -15.580
   62    HB2  PHE   7           HB2      PHE   7  50.803   9.016 -14.498
   63    HB3  PHE   7           HB1      PHE   7  51.643   7.477 -14.075
   64    HD1  PHE   7           HD1      PHE   7  50.374   9.400 -17.127
   65    HD2  PHE   7           HD2      PHE   7  53.315   6.724 -15.530
   66    HE1  PHE   7           HE1      PHE   7  51.627   9.501 -19.214
   67    HE2  PHE   7           HE2      PHE   7  54.541   6.861 -17.633
   68    HZ   PHE   7           HZ       PHE   7  53.706   8.242 -19.471
   69    H    PHE   8           HN       PHE   8  48.310   8.519 -13.236
   70    HA   PHE   8           HA       PHE   8  49.046   6.932 -10.956
   71    HB2  PHE   8           HB2      PHE   8  48.473   9.710 -11.715
   72    HB3  PHE   8           HB1      PHE   8  47.407   9.204 -10.349
   73    HD1  PHE   8           HD1      PHE   8  50.916   8.255 -11.262
   74    HD2  PHE   8           HD2      PHE   8  48.376  10.151  -8.378
   75    HE1  PHE   8           HE1      PHE   8  52.849   8.784  -9.920
   76    HE2  PHE   8           HE2      PHE   8  50.351  10.626  -6.989
   77    HZ   PHE   8           HZ       PHE   8  52.591   9.951  -7.753
   78    H    ARG   9           HN       ARG   9  46.544   7.231 -13.224
   79    HA   ARG   9           HA       ARG   9  44.519   6.365 -11.384
   80    HB2  ARG   9           HB2      ARG   9  44.028   7.889 -13.388
   81    HB3  ARG   9           HB1      ARG   9  44.644   6.626 -14.487
   82    HG2  ARG   9           HG2      ARG   9  42.263   6.607 -14.632
   83    HG3  ARG   9           HG1      ARG   9  42.737   5.127 -13.744
   84    HD2  ARG   9           HD2      ARG   9  42.119   6.230 -11.562
   85    HD3  ARG   9           HD1      ARG   9  41.643   7.733 -12.466
   86    HE   ARG   9           HE       ARG   9  40.181   5.618 -13.665
   87   HH11  ARG   9          HH11      ARG   9  40.436   7.062 -10.366
   88   HH12  ARG   9          HH12      ARG   9  38.816   6.649  -9.919
   89   HH21  ARG   9          HH21      ARG   9  38.006   5.079 -13.003
   90   HH22  ARG   9          HH22      ARG   9  37.426   5.512 -11.430
   91    H    ASP  10           HN       ASP  10  46.988   5.071 -13.604
   92    HA   ASP  10           HA       ASP  10  45.706   2.451 -13.465
   93    HB2  ASP  10           HB2      ASP  10  48.392   3.300 -14.739
   94    HB3  ASP  10           HB1      ASP  10  47.667   1.655 -14.882
   95    H    PHE  11           HN       PHE  11  48.325   4.232 -11.853
   96    HA   PHE  11           HA       PHE  11  49.375   1.844 -10.751
   97    HB2  PHE  11           HB2      PHE  11  51.311   2.980 -10.776
   98    HB3  PHE  11           HB1      PHE  11  50.407   4.453 -11.240
   99    HD1  PHE  11           HD1      PHE  11  51.503   2.516  -8.120
  100    HD2  PHE  11           HD2      PHE  11  50.189   6.123  -9.910
  101    HE1  PHE  11           HE1      PHE  11  51.685   3.681  -5.981
  102    HE2  PHE  11           HE2      PHE  11  50.389   7.248  -7.833
  103    HZ   PHE  11           HZ       PHE  11  51.080   6.081  -5.836
  104    H    ILE  12           HN       ILE  12  47.438   4.495  -9.378
  105    HA   ILE  12           HA       ILE  12  47.634   3.485  -6.745
  106    HB   ILE  12           HB       ILE  12  45.752   5.332  -8.201
  107   HG12  ILE  12          HG12      ILE  12  47.969   5.781  -6.141
  108   HG13  ILE  12          HG11      ILE  12  48.090   5.863  -7.929
  109   HG21  ILE  12          HG21      ILE  12  44.976   6.071  -5.758
  110   HG22  ILE  12          HG22      ILE  12  45.671   4.517  -5.173
  111   HG23  ILE  12          HG23      ILE  12  44.302   4.511  -6.343
  112   HD11  ILE  12          HD11      ILE  12  47.946   8.075  -6.940
  113   HD12  ILE  12          HD12      ILE  12  46.329   7.686  -6.236
  114   HD13  ILE  12          HD13      ILE  12  46.539   7.727  -8.037
  115    H    LEU  13           HN       LEU  13  45.547   2.786  -9.504
  116    HA   LEU  13           HA       LEU  13  43.439   1.676  -7.906
  117    HB2  LEU  13           HB2      LEU  13  44.171   1.871 -10.806
  118    HB3  LEU  13           HB1      LEU  13  42.759   0.865 -10.326
  119    HG   LEU  13           HG       LEU  13  42.330   3.253 -11.066
  120   HD11  LEU  13          HD11      LEU  13  40.592   1.913  -9.910
  121   HD12  LEU  13          HD12      LEU  13  40.439   3.668  -9.528
  122   HD13  LEU  13          HD13      LEU  13  41.162   2.543  -8.320
  123   HD21  LEU  13          HD21      LEU  13  42.577   5.217  -9.651
  124   HD22  LEU  13          HD22      LEU  13  44.202   4.447  -9.781
  125   HD23  LEU  13          HD23      LEU  13  43.212   4.249  -8.277
  126    H    GLN  14           HN       GLN  14  46.443   0.362  -8.985
  127    HA   GLN  14           HA       GLN  14  45.531  -2.413  -8.911
  128    HB2  GLN  14           HB2      GLN  14  48.323  -1.150  -9.223
  129    HB3  GLN  14           HB1      GLN  14  48.064  -2.934  -9.135
  130    HG2  GLN  14           HG2      GLN  14  46.621  -2.851 -11.185
  131    HG3  GLN  14           HG1      GLN  14  46.838  -1.066 -11.289
  132   HE21  GLN  14          HE21      GLN  14  49.097  -0.218 -11.749
  133   HE22  GLN  14          HE22      GLN  14  50.258  -1.240 -12.527
  134    H    ARG  15           HN       ARG  15  46.070  -0.126  -6.480
  135    HA   ARG  15           HA       ARG  15  47.175  -2.132  -4.606
  136    HB2  ARG  15           HB2      ARG  15  47.471   0.904  -4.818
  137    HB3  ARG  15           HB1      ARG  15  47.452   0.193  -3.176
  138    HG2  ARG  15           HG2      ARG  15  49.741   0.317  -3.667
  139    HG3  ARG  15           HG1      ARG  15  49.349  -1.404  -3.996
  140    HD2  ARG  15           HD2      ARG  15  49.373  -1.012  -6.446
  141    HD3  ARG  15           HD1      ARG  15  49.524   0.785  -6.199
  142    HE   ARG  15           HE       ARG  15  51.719  -0.407  -4.827
  143   HH11  ARG  15          HH11      ARG  15  50.514  -0.235  -8.227
  144   HH12  ARG  15          HH12      ARG  15  52.096  -0.284  -8.928
  145   HH21  ARG  15          HH21      ARG  15  53.833  -0.467  -5.834
  146   HH22  ARG  15          HH22      ARG  15  53.994  -0.417  -7.557
  147    H    LYS  16           HN       LYS  16  44.350  -1.840  -5.665
  148    HA   LYS  16           HA       LYS  16  42.977  -1.166  -3.137
  149    HB2  LYS  16           HB2      LYS  16  41.902  -1.090  -6.013
  150    HB3  LYS  16           HB1      LYS  16  40.927  -0.800  -4.520
  151    HG2  LYS  16           HG2      LYS  16  42.778   1.070  -4.016
  152    HG3  LYS  16           HG1      LYS  16  43.113   0.934  -5.775
  153    HD2  LYS  16           HD2      LYS  16  40.690   1.406  -6.255
  154    HD3  LYS  16           HD1      LYS  16  40.394   1.535  -4.483
  155    HE2  LYS  16           HE2      LYS  16  41.987   3.514  -4.376
  156    HE3  LYS  16           HE1      LYS  16  42.230   3.391  -6.169
  157    HZ1  LYS  16           HZ1      LYS  16  40.358   4.460  -6.500
  158    HZ2  LYS  16           HZ2      LYS  16  40.290   4.794  -4.838
  159    HZ3  LYS  16           HZ3      LYS  16  39.465   3.451  -5.468
  160    H    LYS  17           HN       LYS  17  44.356  -3.536  -3.341
  161    HA   LYS  17           HA       LYS  17  42.760  -5.619  -4.433
  162    HB2  LYS  17           HB2      LYS  17  44.427  -7.133  -3.258
  163    HB3  LYS  17           HB1      LYS  17  45.182  -5.904  -4.325
  164    HG2  LYS  17           HG2      LYS  17  45.656  -4.451  -2.290
  165    HG3  LYS  17           HG1      LYS  17  44.964  -5.735  -1.241
  166    HD2  LYS  17           HD2      LYS  17  46.727  -7.332  -2.052
  167    HD3  LYS  17           HD1      LYS  17  47.405  -6.032  -3.098
  168    HE2  LYS  17           HE2      LYS  17  47.941  -4.652  -1.059
  169    HE3  LYS  17           HE1      LYS  17  47.241  -5.943   0.003
  170    HZ1  LYS  17           HZ1      LYS  17  49.321  -6.699  -1.921
  171    HZ2  LYS  17           HZ2      LYS  17  48.992  -7.287  -0.363
  172    HZ3  LYS  17           HZ3      LYS  17  49.779  -5.795  -0.559
  Start of MODEL    2
    1    H1   GLU   1           HT1      GLU   1  50.845  21.843 -14.917
    2    H2   GLU   1           HT2      GLU   1  50.029  21.699 -13.435
    3    H3   GLU   1           HT3      GLU   1  49.397  22.694 -14.659
    4    HA   GLU   1           HA       GLU   1  48.908  20.004 -14.167
    5    HB2  GLU   1           HB2      GLU   1  48.051  21.958 -16.414
    6    HB3  GLU   1           HB1      GLU   1  47.372  20.292 -16.279
    7    HG2  GLU   1           HG2      GLU   1  46.471  20.825 -13.977
    8    HG3  GLU   1           HG1      GLU   1  47.145  22.498 -14.098
    9    H    MET   2           HN       MET   2  50.311  18.334 -14.655
   10    HA   MET   2           HA       MET   2  51.694  18.417 -17.254
   11    HB2  MET   2           HB2      MET   2  52.169  16.678 -14.746
   12    HB3  MET   2           HB1      MET   2  53.081  16.495 -16.289
   13    HG2  MET   2           HG2      MET   2  53.928  18.841 -16.064
   14    HG3  MET   2           HG1      MET   2  53.033  19.022 -14.520
   15    HE1  MET   2           HE1      MET   2  55.223  19.860 -13.440
   16    HE2  MET   2           HE2      MET   2  56.111  19.609 -14.983
   17    HE3  MET   2           HE3      MET   2  56.790  18.978 -13.443
   18    H    ARG   3           HN       ARG   3  48.837  17.208 -15.816
   19    HA   ARG   3           HA       ARG   3  47.324  15.716 -16.317
   20    HB2  ARG   3           HB2      ARG   3  48.677  15.506 -19.083
   21    HB3  ARG   3           HB1      ARG   3  47.090  14.760 -18.678
   22    HG2  ARG   3           HG2      ARG   3  46.072  16.954 -18.267
   23    HG3  ARG   3           HG1      ARG   3  47.646  17.792 -18.446
   24    HD2  ARG   3           HD2      ARG   3  46.287  16.194 -20.742
   25    HD3  ARG   3           HD1      ARG   3  46.097  17.984 -20.486
   26    HE   ARG   3           HE       ARG   3  48.916  17.379 -20.530
   27   HH11  ARG   3          HH11      ARG   3  46.094  17.399 -22.778
   28   HH12  ARG   3          HH12      ARG   3  47.055  17.693 -24.188
   29   HH21  ARG   3          HH21      ARG   3  50.163  17.775 -22.462
   30   HH22  ARG   3          HH22      ARG   3  49.388  17.907 -24.005
   31    H    LEU   4           HN       LEU   4  48.743  14.592 -14.553
   32    HA   LEU   4           HA       LEU   4  49.517  11.939 -15.578
   33    HB2  LEU   4           HB2      LEU   4  50.491  13.350 -13.010
   34    HB3  LEU   4           HB1      LEU   4  50.978  11.700 -13.541
   35    HG   LEU   4           HG       LEU   4  51.607  14.308 -15.072
   36   HD11  LEU   4          HD11      LEU   4  52.810  14.221 -12.887
   37   HD12  LEU   4          HD12      LEU   4  53.953  14.038 -14.269
   38   HD13  LEU   4          HD13      LEU   4  53.472  12.592 -13.300
   39   HD21  LEU   4          HD21      LEU   4  52.297  11.362 -15.657
   40   HD22  LEU   4          HD22      LEU   4  53.397  12.685 -16.204
   41   HD23  LEU   4          HD23      LEU   4  51.692  12.644 -16.776
   42    H    SER   5           HN       SER   5  46.765  13.017 -14.913
   43    HA   SER   5           HA       SER   5  46.131  11.754 -12.380
   44    HB2  SER   5           HB2      SER   5  44.329  13.102 -14.502
   45    HB3  SER   5           HB1      SER   5  43.738  12.460 -12.913
   46    HG   SER   5           HG       SER   5  45.906  14.239 -12.988
   47    H    LYS   6           HN       LYS   6  46.242  10.870 -15.792
   48    HA   LYS   6           HA       LYS   6  44.337   8.662 -15.524
   49    HB2  LYS   6           HB2      LYS   6  46.233   9.459 -17.836
   50    HB3  LYS   6           HB1      LYS   6  44.946   8.195 -17.918
   51    HG2  LYS   6           HG2      LYS   6  43.199   9.959 -17.479
   52    HG3  LYS   6           HG1      LYS   6  44.484  11.216 -17.428
   53    HD2  LYS   6           HD2      LYS   6  45.117  10.597 -19.810
   54    HD3  LYS   6           HD1      LYS   6  43.741   9.445 -19.841
   55    HE2  LYS   6           HE2      LYS   6  43.458  12.506 -19.375
   56    HE3  LYS   6           HE1      LYS   6  43.226  11.676 -20.964
   57    HZ1  LYS   6           HZ1      LYS   6  41.124  11.722 -20.225
   58    HZ2  LYS   6           HZ2      LYS   6  41.536  11.695 -18.578
   59    HZ3  LYS   6           HZ3      LYS   6  41.578  10.261 -19.487
   60    H    PHE   7           HN       PHE   7  47.703   9.376 -15.017
   61    HA   PHE   7           HA       PHE   7  48.814   6.765 -15.444
   62    HB2  PHE   7           HB2      PHE   7  49.714   9.416 -14.175
   63    HB3  PHE   7           HB1      PHE   7  50.694   7.932 -13.877
   64    HD1  PHE   7           HD1      PHE   7  49.259  10.000 -16.749
   65    HD2  PHE   7           HD2      PHE   7  52.400   7.422 -15.400
   66    HE1  PHE   7           HE1      PHE   7  50.492  10.397 -18.811
   67    HE2  PHE   7           HE2      PHE   7  53.604   7.847 -17.477
   68    HZ   PHE   7           HZ       PHE   7  52.659   9.329 -19.181
   69    H    PHE   8           HN       PHE   8  47.270   8.653 -12.987
   70    HA   PHE   8           HA       PHE   8  48.163   7.021 -10.794
   71    HB2  PHE   8           HB2      PHE   8  47.267   9.751 -11.404
   72    HB3  PHE   8           HB1      PHE   8  46.302   9.055 -10.055
   73    HD1  PHE   8           HD1      PHE   8  49.880   8.541 -11.038
   74    HD2  PHE   8           HD2      PHE   8  47.186  10.062  -8.074
   75    HE1  PHE   8           HE1      PHE   8  51.763   9.230  -9.689
   76    HE2  PHE   8           HE2      PHE   8  49.113  10.696  -6.683
   77    HZ   PHE   8           HZ       PHE   8  51.404  10.288  -7.484
   78    H    ARG   9           HN       ARG   9  45.600   7.302 -12.984
   79    HA   ARG   9           HA       ARG   9  43.655   6.137 -11.258
   80    HB2  ARG   9           HB2      ARG   9  43.177   7.723 -13.173
   81    HB3  ARG   9           HB1      ARG   9  43.867   6.532 -14.318
   82    HG2  ARG   9           HG2      ARG   9  42.051   4.992 -13.936
   83    HG3  ARG   9           HG1      ARG   9  41.439   5.939 -12.542
   84    HD2  ARG   9           HD2      ARG   9  39.999   6.437 -14.456
   85    HD3  ARG   9           HD1      ARG   9  41.049   7.892 -14.161
   86    HE   ARG   9           HE       ARG   9  42.294   6.074 -16.089
   87   HH11  ARG   9          HH11      ARG   9  39.703   8.574 -15.817
   88   HH12  ARG   9          HH12      ARG   9  39.797   9.032 -17.484
   89   HH21  ARG   9          HH21      ARG   9  42.382   6.742 -18.318
   90   HH22  ARG   9          HH22      ARG   9  41.332   7.983 -18.915
   91    H    ASP  10           HN       ASP  10  46.103   5.119 -13.687
   92    HA   ASP  10           HA       ASP  10  45.102   2.388 -13.437
   93    HB2  ASP  10           HB2      ASP  10  47.415   3.646 -15.016
   94    HB3  ASP  10           HB1      ASP  10  47.218   1.857 -14.919
   95    H    PHE  11           HN       PHE  11  47.456   4.365 -11.730
   96    HA   PHE  11           HA       PHE  11  48.825   2.019 -10.862
   97    HB2  PHE  11           HB2      PHE  11  50.656   3.330 -10.810
   98    HB3  PHE  11           HB1      PHE  11  49.618   4.737 -11.188
   99    HD1  PHE  11           HD1      PHE  11  50.807   2.714  -8.150
  100    HD2  PHE  11           HD2      PHE  11  49.366   6.330  -9.787
  101    HE1  PHE  11           HE1      PHE  11  50.901   3.792  -5.955
  102    HE2  PHE  11           HE2      PHE  11  49.476   7.367  -7.660
  103    HZ   PHE  11           HZ       PHE  11  50.182   6.145  -5.709
  104    H    ILE  12           HN       ILE  12  46.721   4.408  -9.309
  105    HA   ILE  12           HA       ILE  12  47.035   3.315  -6.734
  106    HB   ILE  12           HB       ILE  12  44.964   5.008  -8.115
  107   HG12  ILE  12          HG12      ILE  12  47.113   5.642  -6.033
  108   HG13  ILE  12          HG11      ILE  12  47.256   5.763  -7.819
  109   HG21  ILE  12          HG21      ILE  12  44.990   4.080  -5.121
  110   HG22  ILE  12          HG22      ILE  12  43.614   3.989  -6.283
  111   HG23  ILE  12          HG23      ILE  12  44.138   5.580  -5.643
  112   HD11  ILE  12          HD11      ILE  12  45.521   7.454  -7.942
  113   HD12  ILE  12          HD12      ILE  12  46.849   7.927  -6.782
  114   HD13  ILE  12          HD13      ILE  12  45.261   7.357  -6.151
  115    H    LEU  13           HN       LEU  13  44.926   2.596  -9.467
  116    HA   LEU  13           HA       LEU  13  42.951   1.230  -7.926
  117    HB2  LEU  13           HB2      LEU  13  43.649   1.601 -10.823
  118    HB3  LEU  13           HB1      LEU  13  42.316   0.478 -10.376
  119    HG   LEU  13           HG       LEU  13  41.688   2.833 -11.050
  120   HD11  LEU  13          HD11      LEU  13  40.628   2.066  -8.275
  121   HD12  LEU  13          HD12      LEU  13  40.108   1.316  -9.831
  122   HD13  LEU  13          HD13      LEU  13  39.789   3.063  -9.520
  123   HD21  LEU  13          HD21      LEU  13  42.491   3.881  -8.259
  124   HD22  LEU  13          HD22      LEU  13  41.845   4.799  -9.664
  125   HD23  LEU  13          HD23      LEU  13  43.513   4.116  -9.736
  126    H    GLN  14           HN       GLN  14  45.969   0.173  -9.427
  127    HA   GLN  14           HA       GLN  14  45.200  -2.650  -9.185
  128    HB2  GLN  14           HB2      GLN  14  47.851  -1.384 -10.114
  129    HB3  GLN  14           HB1      GLN  14  47.470  -3.151 -10.148
  130    HG2  GLN  14           HG2      GLN  14  45.486  -2.616 -11.708
  131    HG3  GLN  14           HG1      GLN  14  46.080  -0.912 -11.779
  132   HE21  GLN  14          HE21      GLN  14  48.313  -0.523 -12.730
  133   HE22  GLN  14          HE22      GLN  14  48.978  -1.673 -13.840
  134    H    ARG  15           HN       ARG  15  46.279  -0.323  -6.961
  135    HA   ARG  15           HA       ARG  15  47.887  -2.293  -5.468
  136    HB2  ARG  15           HB2      ARG  15  47.927   0.761  -5.399
  137    HB3  ARG  15           HB1      ARG  15  48.767  -0.282  -4.184
  138    HG2  ARG  15           HG2      ARG  15  49.994  -1.418  -6.124
  139    HG3  ARG  15           HG1      ARG  15  49.290  -0.169  -7.216
  140    HD2  ARG  15           HD2      ARG  15  50.339   1.624  -5.758
  141    HD3  ARG  15           HD1      ARG  15  51.130   0.303  -4.795
  142    HE   ARG  15           HE       ARG  15  51.739  -0.119  -7.581
  143   HH11  ARG  15          HH11      ARG  15  52.504   2.210  -4.934
  144   HH12  ARG  15          HH12      ARG  15  54.024   2.684  -5.614
  145   HH21  ARG  15          HH21      ARG  15  53.788   0.569  -8.460
  146   HH22  ARG  15          HH22      ARG  15  54.758   1.743  -7.636
  147    H    LYS  16           HN       LYS  16  44.915  -2.296  -5.582
  148    HA   LYS  16           HA       LYS  16  44.064  -1.097  -3.076
  149    HB2  LYS  16           HB2      LYS  16  42.573  -2.878  -5.121
  150    HB3  LYS  16           HB1      LYS  16  41.817  -2.166  -3.654
  151    HG2  LYS  16           HG2      LYS  16  43.074  -0.463  -5.907
  152    HG3  LYS  16           HG1      LYS  16  41.366  -0.999  -5.908
  153    HD2  LYS  16           HD2      LYS  16  41.109   0.192  -3.612
  154    HD3  LYS  16           HD1      LYS  16  42.752   0.862  -3.863
  155    HE2  LYS  16           HE2      LYS  16  41.183   2.582  -4.575
  156    HE3  LYS  16           HE1      LYS  16  41.883   1.893  -6.090
  157    HZ1  LYS  16           HZ1      LYS  16  39.859   1.409  -6.732
  158    HZ2  LYS  16           HZ2      LYS  16  39.206   2.057  -5.305
  159    HZ3  LYS  16           HZ3      LYS  16  39.604   0.408  -5.385
  160    H    LYS  17           HN       LYS  17  45.247  -4.108  -4.512
  161    HA   LYS  17           HA       LYS  17  44.663  -5.508  -2.024
  162    HB2  LYS  17           HB2      LYS  17  45.192  -6.506  -4.882
  163    HB3  LYS  17           HB1      LYS  17  45.081  -7.606  -3.456
  164    HG2  LYS  17           HG2      LYS  17  42.750  -7.013  -3.062
  165    HG3  LYS  17           HG1      LYS  17  42.803  -5.684  -4.272
  166    HD2  LYS  17           HD2      LYS  17  43.178  -7.326  -6.095
  167    HD3  LYS  17           HD1      LYS  17  43.175  -8.679  -4.914
  168    HE2  LYS  17           HE2      LYS  17  40.963  -8.615  -5.994
  169    HE3  LYS  17           HE1      LYS  17  40.745  -8.036  -4.294
  170    HZ1  LYS  17           HZ1      LYS  17  40.152  -6.734  -6.714
  171    HZ2  LYS  17           HZ2      LYS  17  41.332  -5.822  -5.901
  172    HZ3  LYS  17           HZ3      LYS  17  39.876  -6.216  -5.120
  Start of MODEL    3
    1    H1   GLU   1           HT1      GLU   1  52.119  23.267 -17.816
    2    H2   GLU   1           HT2      GLU   1  52.853  21.777 -18.172
    3    H3   GLU   1           HT3      GLU   1  52.881  22.379 -16.584
    4    HA   GLU   1           HA       GLU   1  50.877  21.657 -16.099
    5    HB2  GLU   1           HB2      GLU   1  50.144  22.492 -18.984
    6    HB3  GLU   1           HB1      GLU   1  48.971  21.585 -17.955
    7    HG2  GLU   1           HG2      GLU   1  49.049  23.425 -16.216
    8    HG3  GLU   1           HG1      GLU   1  50.212  24.347 -17.248
    9    H    MET   2           HN       MET   2  50.876  19.499 -15.631
   10    HA   MET   2           HA       MET   2  51.039  17.598 -17.884
   11    HB2  MET   2           HB2      MET   2  52.441  17.362 -15.131
   12    HB3  MET   2           HB1      MET   2  52.317  16.020 -16.327
   13    HG2  MET   2           HG2      MET   2  53.632  17.369 -17.976
   14    HG3  MET   2           HG1      MET   2  53.760  18.707 -16.786
   15    HE1  MET   2           HE1      MET   2  57.406  17.351 -17.017
   16    HE2  MET   2           HE2      MET   2  56.308  18.769 -17.134
   17    HE3  MET   2           HE3      MET   2  56.171  17.427 -18.322
   18    H    ARG   3           HN       ARG   3  49.909  15.550 -17.471
   19    HA   ARG   3           HA       ARG   3  47.751  15.874 -15.472
   20    HB2  ARG   3           HB2      ARG   3  47.855  14.181 -18.062
   21    HB3  ARG   3           HB1      ARG   3  46.476  14.204 -16.900
   22    HG2  ARG   3           HG2      ARG   3  46.105  16.636 -17.372
   23    HG3  ARG   3           HG1      ARG   3  47.494  16.637 -18.516
   24    HD2  ARG   3           HD2      ARG   3  46.277  14.924 -19.963
   25    HD3  ARG   3           HD1      ARG   3  44.855  15.026 -18.828
   26    HE   ARG   3           HE       ARG   3  45.530  17.703 -19.639
   27   HH11  ARG   3          HH11      ARG   3  44.238  14.670 -21.112
   28   HH12  ARG   3          HH12      ARG   3  43.345  15.496 -22.345
   29   HH21  ARG   3          HH21      ARG   3  44.308  18.763 -21.332
   30   HH22  ARG   3          HH22      ARG   3  43.388  17.838 -22.471
   31    H    LEU   4           HN       LEU   4  47.834  14.512 -13.718
   32    HA   LEU   4           HA       LEU   4  49.342  11.997 -14.017
   33    HB2  LEU   4           HB2      LEU   4  49.282  13.939 -11.619
   34    HB3  LEU   4           HB1      LEU   4  49.907  12.258 -11.494
   35    HG   LEU   4           HG       LEU   4  51.079  14.381 -13.407
   36   HD11  LEU   4          HD11      LEU   4  52.102  13.567 -10.601
   37   HD12  LEU   4          HD12      LEU   4  51.339  15.143 -11.041
   38   HD13  LEU   4          HD13      LEU   4  52.930  14.684 -11.755
   39   HD21  LEU   4          HD21      LEU   4  52.041  11.557 -12.576
   40   HD22  LEU   4          HD22      LEU   4  53.153  12.785 -13.290
   41   HD23  LEU   4          HD23      LEU   4  51.740  12.197 -14.237
   42    H    SER   5           HN       SER   5  46.305  13.045 -14.095
   43    HA   SER   5           HA       SER   5  45.225  11.604 -11.825
   44    HB2  SER   5           HB2      SER   5  43.828  13.009 -14.200
   45    HB3  SER   5           HB1      SER   5  42.955  12.242 -12.810
   46    HG   SER   5           HG       SER   5  44.993  14.059 -12.247
   47    H    LYS   6           HN       LYS   6  46.038  10.922 -15.206
   48    HA   LYS   6           HA       LYS   6  44.251   8.626 -15.359
   49    HB2  LYS   6           HB2      LYS   6  46.427   9.661 -17.281
   50    HB3  LYS   6           HB1      LYS   6  45.366   8.238 -17.609
   51    HG2  LYS   6           HG2      LYS   6  43.338   9.740 -17.456
   52    HG3  LYS   6           HG1      LYS   6  44.418  11.153 -17.193
   53    HD2  LYS   6           HD2      LYS   6  45.485  10.754 -19.429
   54    HD3  LYS   6           HD1      LYS   6  44.406   9.336 -19.687
   55    HE2  LYS   6           HE2      LYS   6  42.387  10.858 -19.619
   56    HE3  LYS   6           HE1      LYS   6  43.475  12.283 -19.357
   57    HZ1  LYS   6           HZ1      LYS   6  42.661  11.228 -21.745
   58    HZ2  LYS   6           HZ2      LYS   6  44.275  10.717 -21.608
   59    HZ3  LYS   6           HZ3      LYS   6  43.894  12.368 -21.496
   60    H    PHE   7           HN       PHE   7  47.372   9.421 -14.147
   61    HA   PHE   7           HA       PHE   7  48.694   6.908 -14.601
   62    HB2  PHE   7           HB2      PHE   7  49.282   9.528 -13.118
   63    HB3  PHE   7           HB1      PHE   7  50.299   8.076 -12.763
   64    HD1  PHE   7           HD1      PHE   7  49.171  10.330 -15.603
   65    HD2  PHE   7           HD2      PHE   7  52.128   7.583 -14.179
   66    HE1  PHE   7           HE1      PHE   7  50.612  10.878 -17.491
   67    HE2  PHE   7           HE2      PHE   7  53.541   8.156 -16.083
   68    HZ   PHE   7           HZ       PHE   7  52.792   9.797 -17.737
   69    H    PHE   8           HN       PHE   8  46.760   8.555 -12.164
   70    HA   PHE   8           HA       PHE   8  47.629   6.739 -10.093
   71    HB2  PHE   8           HB2      PHE   8  46.692   9.494 -10.390
   72    HB3  PHE   8           HB1      PHE   8  45.649   8.611  -9.218
   73    HD1  PHE   8           HD1      PHE   8  49.306   8.323 -10.022
   74    HD2  PHE   8           HD2      PHE   8  46.381   9.284  -7.037
   75    HE1  PHE   8           HE1      PHE   8  51.076   8.857  -8.461
   76    HE2  PHE   8           HE2      PHE   8  48.196   9.759  -5.445
   77    HZ   PHE   8           HZ       PHE   8  50.545   9.553  -6.148
   78    H    ARG   9           HN       ARG   9  45.043   7.078 -12.360
   79    HA   ARG   9           HA       ARG   9  43.353   5.455 -10.620
   80    HB2  ARG   9           HB2      ARG   9  41.641   5.504 -12.301
   81    HB3  ARG   9           HB1      ARG   9  42.268   7.172 -12.101
   82    HG2  ARG   9           HG2      ARG   9  43.725   6.730 -14.188
   83    HG3  ARG   9           HG1      ARG   9  42.781   5.220 -14.425
   84    HD2  ARG   9           HD2      ARG   9  40.654   6.565 -14.495
   85    HD3  ARG   9           HD1      ARG   9  41.638   8.087 -14.316
   86    HE   ARG   9           HE       ARG   9  42.660   6.513 -16.541
   87   HH11  ARG   9          HH11      ARG   9  39.844   8.598 -15.673
   88   HH12  ARG   9          HH12      ARG   9  39.541   9.084 -17.307
   89   HH21  ARG   9          HH21      ARG   9  42.206   7.207 -18.719
   90   HH22  ARG   9          HH22      ARG   9  40.893   8.287 -19.049
   91    H    ASP  10           HN       ASP  10  45.866   5.071 -13.061
   92    HA   ASP  10           HA       ASP  10  44.950   2.330 -13.449
   93    HB2  ASP  10           HB2      ASP  10  47.440   3.842 -14.492
   94    HB3  ASP  10           HB1      ASP  10  47.112   2.112 -14.873
   95    H    PHE  11           HN       PHE  11  47.353   4.136 -11.517
   96    HA   PHE  11           HA       PHE  11  48.670   1.737 -10.798
   97    HB2  PHE  11           HB2      PHE  11  50.452   3.079 -10.492
   98    HB3  PHE  11           HB1      PHE  11  49.389   4.492 -10.768
   99    HD1  PHE  11           HD1      PHE  11  50.621   2.213  -7.953
  100    HD2  PHE  11           HD2      PHE  11  48.870   5.875  -9.179
  101    HE1  PHE  11           HE1      PHE  11  50.559   3.003  -5.640
  102    HE2  PHE  11           HE2      PHE  11  48.838   6.628  -6.923
  103    HZ   PHE  11           HZ       PHE  11  49.623   5.232  -5.122
  104    H    ILE  12           HN       ILE  12  46.402   3.822  -9.018
  105    HA   ILE  12           HA       ILE  12  46.704   2.394  -6.622
  106    HB   ILE  12           HB       ILE  12  44.579   4.149  -7.828
  107   HG12  ILE  12          HG12      ILE  12  46.574   4.554  -5.541
  108   HG13  ILE  12          HG11      ILE  12  46.824   4.948  -7.272
  109   HG21  ILE  12          HG21      ILE  12  44.533   2.781  -5.003
  110   HG22  ILE  12          HG22      ILE  12  43.226   2.760  -6.244
  111   HG23  ILE  12          HG23      ILE  12  43.591   4.276  -5.359
  112   HD11  ILE  12          HD11      ILE  12  46.245   6.928  -5.989
  113   HD12  ILE  12          HD12      ILE  12  44.671   6.193  -5.499
  114   HD13  ILE  12          HD13      ILE  12  44.986   6.563  -7.245
  115    H    LEU  13           HN       LEU  13  44.687   1.965  -9.502
  116    HA   LEU  13           HA       LEU  13  42.875   0.155  -8.232
  117    HB2  LEU  13           HB2      LEU  13  43.512   1.041 -11.039
  118    HB3  LEU  13           HB1      LEU  13  42.287  -0.245 -10.762
  119    HG   LEU  13           HG       LEU  13  41.426   2.111 -11.088
  120   HD11  LEU  13          HD11      LEU  13  39.555   1.957  -9.525
  121   HD12  LEU  13          HD12      LEU  13  40.509   0.898  -8.417
  122   HD13  LEU  13          HD13      LEU  13  40.028   0.298 -10.051
  123   HD21  LEU  13          HD21      LEU  13  42.128   2.872  -8.188
  124   HD22  LEU  13          HD22      LEU  13  41.499   3.904  -9.525
  125   HD23  LEU  13          HD23      LEU  13  43.203   3.316  -9.575
  126    H    GLN  14           HN       GLN  14  45.809  -0.278 -10.290
  127    HA   GLN  14           HA       GLN  14  45.520  -3.074 -10.624
  128    HB2  GLN  14           HB2      GLN  14  47.948  -1.216 -10.802
  129    HB3  GLN  14           HB1      GLN  14  48.119  -2.999 -11.032
  130    HG2  GLN  14           HG2      GLN  14  46.548  -2.943 -12.978
  131    HG3  GLN  14           HG1      GLN  14  46.255  -1.183 -12.719
  132   HE21  GLN  14          HE21      GLN  14  49.088  -3.491 -13.171
  133   HE22  GLN  14          HE22      GLN  14  50.013  -2.414 -14.161
  134    H    ARG  15           HN       ARG  15  47.205  -1.152  -8.035
  135    HA   ARG  15           HA       ARG  15  48.459  -3.419  -6.864
  136    HB2  ARG  15           HB2      ARG  15  47.875  -0.637  -5.759
  137    HB3  ARG  15           HB1      ARG  15  48.763  -1.904  -4.830
  138    HG2  ARG  15           HG2      ARG  15  50.440  -2.027  -6.779
  139    HG3  ARG  15           HG1      ARG  15  49.608  -0.600  -7.497
  140    HD2  ARG  15           HD2      ARG  15  50.087   0.702  -5.362
  141    HD3  ARG  15           HD1      ARG  15  51.007  -0.742  -4.750
  142    HE   ARG  15           HE       ARG  15  52.040  -0.047  -7.353
  143   HH11  ARG  15          HH11      ARG  15  51.972   1.278  -3.994
  144   HH12  ARG  15          HH12      ARG  15  53.433   2.188  -4.185
  145   HH21  ARG  15          HH21      ARG  15  53.999   1.216  -7.555
  146   HH22  ARG  15          HH22      ARG  15  54.591   2.151  -6.224
  147    H    LYS  16           HN       LYS  16  45.417  -1.704  -6.311
  148    HA   LYS  16           HA       LYS  16  43.512  -2.157  -5.433
  149    HB2  LYS  16           HB2      LYS  16  44.576  -4.918  -4.726
  150    HB3  LYS  16           HB1      LYS  16  42.897  -4.365  -4.409
  151    HG2  LYS  16           HG2      LYS  16  42.630  -3.923  -6.905
  152    HG3  LYS  16           HG1      LYS  16  44.263  -4.642  -7.160
  153    HD2  LYS  16           HD2      LYS  16  43.469  -6.778  -6.119
  154    HD3  LYS  16           HD1      LYS  16  41.848  -6.039  -5.884
  155    HE2  LYS  16           HE2      LYS  16  41.573  -5.815  -8.382
  156    HE3  LYS  16           HE1      LYS  16  43.216  -6.542  -8.628
  157    HZ1  LYS  16           HZ1      LYS  16  40.813  -7.827  -7.435
  158    HZ2  LYS  16           HZ2      LYS  16  42.365  -8.512  -7.412
  159    HZ3  LYS  16           HZ3      LYS  16  41.593  -8.208  -8.893
  160    H    LYS  17           HN       LYS  17  46.063  -1.107  -4.206
  161    HA   LYS  17           HA       LYS  17  45.255  -1.292  -1.422
  162    HB2  LYS  17           HB2      LYS  17  47.991  -0.765  -2.730
  163    HB3  LYS  17           HB1      LYS  17  47.688  -0.577  -0.962
  164    HG2  LYS  17           HG2      LYS  17  47.188  -2.966  -0.715
  165    HG3  LYS  17           HG1      LYS  17  47.238  -3.227  -2.493
  166    HD2  LYS  17           HD2      LYS  17  49.643  -2.605  -2.531
  167    HD3  LYS  17           HD1      LYS  17  49.624  -2.334  -0.750
  168    HE2  LYS  17           HE2      LYS  17  49.058  -4.776  -0.384
  169    HE3  LYS  17           HE1      LYS  17  49.068  -5.043  -2.177
  170    HZ1  LYS  17           HZ1      LYS  17  51.383  -4.356  -2.190
  171    HZ2  LYS  17           HZ2      LYS  17  51.130  -5.687  -1.167
  172    HZ3  LYS  17           HZ3      LYS  17  51.363  -4.140  -0.507
  Start of MODEL    4
    1    H1   GLU   1           HT1      GLU   1  50.821  22.335 -20.925
    2    H2   GLU   1           HT2      GLU   1  51.359  22.615 -19.339
    3    H3   GLU   1           HT3      GLU   1  50.152  23.602 -20.012
    4    HA   GLU   1           HA       GLU   1  49.045  22.178 -18.583
    5    HB2  GLU   1           HB2      GLU   1  48.886  21.224 -21.520
    6    HB3  GLU   1           HB1      GLU   1  47.807  20.522 -20.257
    7    HG2  GLU   1           HG2      GLU   1  46.873  22.818 -19.753
    8    HG3  GLU   1           HG1      GLU   1  47.943  23.532 -21.023
    9    H    MET   2           HN       MET   2  49.462  20.615 -17.077
   10    HA   MET   2           HA       MET   2  50.870  18.178 -17.975
   11    HB2  MET   2           HB2      MET   2  51.278  19.729 -15.326
   12    HB3  MET   2           HB1      MET   2  51.933  18.083 -15.647
   13    HG2  MET   2           HG2      MET   2  53.301  18.993 -17.533
   14    HG3  MET   2           HG1      MET   2  52.650  20.636 -17.221
   15    HE1  MET   2           HE1      MET   2  55.693  19.898 -17.462
   16    HE2  MET   2           HE2      MET   2  56.391  20.908 -16.150
   17    HE3  MET   2           HE3      MET   2  55.057  21.554 -17.167
   18    H    ARG   3           HN       ARG   3  50.123  16.227 -17.013
   19    HA   ARG   3           HA       ARG   3  47.966  16.407 -15.063
   20    HB2  ARG   3           HB2      ARG   3  46.844  16.436 -17.397
   21    HB3  ARG   3           HB1      ARG   3  47.637  14.864 -17.740
   22    HG2  ARG   3           HG2      ARG   3  46.369  13.762 -15.922
   23    HG3  ARG   3           HG1      ARG   3  45.679  15.335 -15.389
   24    HD2  ARG   3           HD2      ARG   3  44.407  15.542 -17.539
   25    HD3  ARG   3           HD1      ARG   3  45.147  13.988 -18.140
   26    HE   ARG   3           HE       ARG   3  43.988  13.362 -15.626
   27   HH11  ARG   3          HH11      ARG   3  42.773  14.634 -18.778
   28   HH12  ARG   3          HH12      ARG   3  41.220  13.884 -18.625
   29   HH21  ARG   3          HH21      ARG   3  41.889  12.368 -15.479
   30   HH22  ARG   3          HH22      ARG   3  40.715  12.585 -16.733
   31    H    LEU   4           HN       LEU   4  48.084  14.680 -13.623
   32    HA   LEU   4           HA       LEU   4  49.761  12.403 -14.371
   33    HB2  LEU   4           HB2      LEU   4  50.836  14.431 -12.785
   34    HB3  LEU   4           HB1      LEU   4  50.044  13.439 -11.523
   35    HG   LEU   4           HG       LEU   4  51.333  11.403 -12.684
   36   HD11  LEU   4          HD11      LEU   4  53.080  13.764 -13.642
   37   HD12  LEU   4          HD12      LEU   4  52.214  12.569 -14.679
   38   HD13  LEU   4          HD13      LEU   4  53.582  12.032 -13.639
   39   HD21  LEU   4          HD21      LEU   4  51.730  12.183 -10.347
   40   HD22  LEU   4          HD22      LEU   4  52.859  13.455 -10.950
   41   HD23  LEU   4          HD23      LEU   4  53.273  11.710 -11.152
   42    H    SER   5           HN       SER   5  46.752  13.139 -14.044
   43    HA   SER   5           HA       SER   5  46.017  11.642 -11.668
   44    HB2  SER   5           HB2      SER   5  44.297  12.973 -13.860
   45    HB3  SER   5           HB1      SER   5  43.618  12.128 -12.409
   46    HG   SER   5           HG       SER   5  45.578  14.102 -12.071
   47    H    LYS   6           HN       LYS   6  46.626  10.901 -15.066
   48    HA   LYS   6           HA       LYS   6  44.852   8.565 -15.088
   49    HB2  LYS   6           HB2      LYS   6  46.972   9.556 -17.106
   50    HB3  LYS   6           HB1      LYS   6  45.882   8.141 -17.363
   51    HG2  LYS   6           HG2      LYS   6  43.881   9.664 -17.207
   52    HG3  LYS   6           HG1      LYS   6  44.977  11.075 -16.988
   53    HD2  LYS   6           HD2      LYS   6  46.015  10.609 -19.230
   54    HD3  LYS   6           HD1      LYS   6  44.904   9.210 -19.445
   55    HE2  LYS   6           HE2      LYS   6  42.918  10.775 -19.387
   56    HE3  LYS   6           HE1      LYS   6  44.042  12.179 -19.164
   57    HZ1  LYS   6           HZ1      LYS   6  44.967  10.772 -21.353
   58    HZ2  LYS   6           HZ2      LYS   6  44.163  12.268 -21.332
   59    HZ3  LYS   6           HZ3      LYS   6  43.280  10.832 -21.531
   60    H    PHE   7           HN       PHE   7  48.085   9.458 -14.133
   61    HA   PHE   7           HA       PHE   7  49.393   6.927 -14.437
   62    HB2  PHE   7           HB2      PHE   7  49.940   9.547 -12.917
   63    HB3  PHE   7           HB1      PHE   7  50.972   8.101 -12.606
   64    HD1  PHE   7           HD1      PHE   7  49.802  10.379 -15.416
   65    HD2  PHE   7           HD2      PHE   7  52.846   7.736 -13.983
   66    HE1  PHE   7           HE1      PHE   7  51.250  11.024 -17.265
   67    HE2  PHE   7           HE2      PHE   7  54.266   8.402 -15.850
   68    HZ   PHE   7           HZ       PHE   7  53.477  10.041 -17.488
   69    H    PHE   8           HN       PHE   8  47.420   8.660 -12.183
   70    HA   PHE   8           HA       PHE   8  48.065   6.977  -9.945
   71    HB2  PHE   8           HB2      PHE   8  47.191   9.710 -10.554
   72    HB3  PHE   8           HB1      PHE   8  46.043   8.930  -9.404
   73    HD1  PHE   8           HD1      PHE   8  49.744   8.548  -9.864
   74    HD2  PHE   8           HD2      PHE   8  46.594   9.814  -7.247
   75    HE1  PHE   8           HE1      PHE   8  51.382   9.188  -8.212
   76    HE2  PHE   8           HE2      PHE   8  48.275  10.398  -5.550
   77    HZ   PHE   8           HZ       PHE   8  50.669  10.092  -6.023
   78    H    ARG   9           HN       ARG   9  45.857   7.192 -12.502
   79    HA   ARG   9           HA       ARG   9  43.780   5.831 -11.058
   80    HB2  ARG   9           HB2      ARG   9  43.346   7.528 -12.897
   81    HB3  ARG   9           HB1      ARG   9  44.220   6.475 -14.056
   82    HG2  ARG   9           HG2      ARG   9  42.533   4.767 -13.899
   83    HG3  ARG   9           HG1      ARG   9  41.717   5.588 -12.522
   84    HD2  ARG   9           HD2      ARG   9  41.118   7.507 -14.005
   85    HD3  ARG   9           HD1      ARG   9  41.966   6.693 -15.399
   86    HE   ARG   9           HE       ARG   9  40.101   4.793 -14.383
   87   HH11  ARG   9          HH11      ARG   9  39.954   8.069 -15.885
   88   HH12  ARG   9          HH12      ARG   9  38.381   7.827 -16.565
   89   HH21  ARG   9          HH21      ARG   9  37.987   4.519 -15.315
   90   HH22  ARG   9          HH22      ARG   9  37.253   5.788 -16.236
   91    H    ASP  10           HN       ASP  10  46.664   5.168 -13.069
   92    HA   ASP  10           HA       ASP  10  45.789   2.395 -13.320
   93    HB2  ASP  10           HB2      ASP  10  48.433   3.756 -14.161
   94    HB3  ASP  10           HB1      ASP  10  48.018   2.038 -14.520
   95    H    PHE  11           HN       PHE  11  47.818   4.323 -11.149
   96    HA   PHE  11           HA       PHE  11  49.058   1.968 -10.159
   97    HB2  PHE  11           HB2      PHE  11  50.825   3.309  -9.762
   98    HB3  PHE  11           HB1      PHE  11  49.827   4.709 -10.260
   99    HD1  PHE  11           HD1      PHE  11  50.700   2.645  -7.163
  100    HD2  PHE  11           HD2      PHE  11  49.157   6.200  -8.849
  101    HE1  PHE  11           HE1      PHE  11  50.387   3.608  -4.935
  102    HE2  PHE  11           HE2      PHE  11  48.874   7.132  -6.687
  103    HZ   PHE  11           HZ       PHE  11  49.416   5.877  -4.705
  104    H    ILE  12           HN       ILE  12  46.636   4.210  -8.853
  105    HA   ILE  12           HA       ILE  12  46.619   2.996  -6.318
  106    HB   ILE  12           HB       ILE  12  44.686   4.656  -7.915
  107   HG12  ILE  12          HG12      ILE  12  46.431   5.236  -5.467
  108   HG13  ILE  12          HG11      ILE  12  46.846   5.501  -7.192
  109   HG21  ILE  12          HG21      ILE  12  44.273   3.533  -5.016
  110   HG22  ILE  12          HG22      ILE  12  43.124   3.433  -6.403
  111   HG23  ILE  12          HG23      ILE  12  43.419   5.009  -5.602
  112   HD11  ILE  12          HD11      ILE  12  46.168   7.569  -6.129
  113   HD12  ILE  12          HD12      ILE  12  44.551   6.878  -5.725
  114   HD13  ILE  12          HD13      ILE  12  45.020   7.109  -7.460
  115    H    LEU  13           HN       LEU  13  44.964   2.340  -9.368
  116    HA   LEU  13           HA       LEU  13  42.876   0.789  -8.230
  117    HB2  LEU  13           HB2      LEU  13  44.030   1.294 -10.957
  118    HB3  LEU  13           HB1      LEU  13  42.719   0.075 -10.772
  119    HG   LEU  13           HG       LEU  13  42.079   2.444 -11.476
  120   HD11  LEU  13          HD11      LEU  13  39.917   2.484 -10.269
  121   HD12  LEU  13          HD12      LEU  13  40.578   1.340  -9.046
  122   HD13  LEU  13          HD13      LEU  13  40.382   0.812 -10.756
  123   HD21  LEU  13          HD21      LEU  13  41.823   4.319  -9.978
  124   HD22  LEU  13          HD22      LEU  13  43.519   3.749  -9.758
  125   HD23  LEU  13          HD23      LEU  13  42.257   3.347  -8.524
  126    H    GLN  14           HN       GLN  14  46.101  -0.099  -9.516
  127    HA   GLN  14           HA       GLN  14  45.494  -2.937  -9.413
  128    HB2  GLN  14           HB2      GLN  14  48.181  -1.484  -9.821
  129    HB3  GLN  14           HB1      GLN  14  47.930  -3.266  -9.988
  130    HG2  GLN  14           HG2      GLN  14  46.242  -2.807 -11.856
  131    HG3  GLN  14           HG1      GLN  14  46.640  -1.051 -11.735
  132   HE21  GLN  14          HE21      GLN  14  48.900  -0.345 -12.313
  133   HE22  GLN  14          HE22      GLN  14  49.893  -1.348 -13.314
  134    H    ARG  15           HN       ARG  15  46.260  -0.642  -6.938
  135    HA   ARG  15           HA       ARG  15  47.646  -2.691  -5.333
  136    HB2  ARG  15           HB2      ARG  15  47.589   0.353  -5.081
  137    HB3  ARG  15           HB1      ARG  15  48.286  -0.746  -3.826
  138    HG2  ARG  15           HG2      ARG  15  49.817  -1.720  -5.624
  139    HG3  ARG  15           HG1      ARG  15  49.214  -0.453  -6.752
  140    HD2  ARG  15           HD2      ARG  15  49.989   1.319  -5.118
  141    HD3  ARG  15           HD1      ARG  15  50.675  -0.004  -4.079
  142    HE   ARG  15           HE       ARG  15  51.714  -0.346  -6.737
  143   HH11  ARG  15          HH11      ARG  15  51.941   2.025  -4.028
  144   HH12  ARG  15          HH12      ARG  15  53.533   2.557  -4.453
  145   HH21  ARG  15          HH21      ARG  15  53.858   0.420  -7.274
  146   HH22  ARG  15          HH22      ARG  15  54.628   1.636  -6.313
  147    H    LYS  16           HN       LYS  16  44.646  -2.580  -5.891
  148    HA   LYS  16           HA       LYS  16  43.602  -1.808  -3.265
  149    HB2  LYS  16           HB2      LYS  16  42.208  -2.665  -5.857
  150    HB3  LYS  16           HB1      LYS  16  41.352  -2.379  -4.290
  151    HG2  LYS  16           HG2      LYS  16  42.378  -0.001  -4.302
  152    HG3  LYS  16           HG1      LYS  16  42.923  -0.345  -5.982
  153    HD2  LYS  16           HD2      LYS  16  40.585  -0.744  -6.691
  154    HD3  LYS  16           HD1      LYS  16  40.026  -0.494  -5.000
  155    HE2  LYS  16           HE2      LYS  16  40.807   1.906  -5.087
  156    HE3  LYS  16           HE1      LYS  16  41.382   1.657  -6.784
  157    HZ1  LYS  16           HZ1      LYS  16  39.079   2.658  -6.329
  158    HZ2  LYS  16           HZ2      LYS  16  38.586   1.056  -6.055
  159    HZ3  LYS  16           HZ3      LYS  16  39.254   1.495  -7.553
  160    H    LYS  17           HN       LYS  17  44.879  -4.460  -5.105
  161    HA   LYS  17           HA       LYS  17  43.556  -6.384  -3.358
  162    HB2  LYS  17           HB2      LYS  17  44.841  -6.628  -6.139
  163    HB3  LYS  17           HB1      LYS  17  44.322  -8.058  -5.168
  164    HG2  LYS  17           HG2      LYS  17  41.983  -7.376  -5.236
  165    HG3  LYS  17           HG1      LYS  17  42.389  -5.775  -5.947
  166    HD2  LYS  17           HD2      LYS  17  43.187  -6.846  -8.020
  167    HD3  LYS  17           HD1      LYS  17  42.907  -8.481  -7.333
  168    HE2  LYS  17           HE2      LYS  17  41.036  -7.953  -8.852
  169    HE3  LYS  17           HE1      LYS  17  40.394  -7.911  -7.162
  170    HZ1  LYS  17           HZ1      LYS  17  41.393  -5.411  -8.337
  171    HZ2  LYS  17           HZ2      LYS  17  40.116  -5.687  -7.253
  172    HZ3  LYS  17           HZ3      LYS  17  39.917  -6.031  -8.905
  Start of MODEL    5
    1    H1   GLU   1           HT1      GLU   1  46.372  22.247 -15.689
    2    H2   GLU   1           HT2      GLU   1  45.521  21.226 -14.631
    3    H3   GLU   1           HT3      GLU   1  44.715  21.960 -15.933
    4    HA   GLU   1           HA       GLU   1  45.119  19.671 -16.404
    5    HB2  GLU   1           HB2      GLU   1  46.820  21.696 -18.009
    6    HB3  GLU   1           HB1      GLU   1  46.647  19.980 -18.540
    7    HG2  GLU   1           HG2      GLU   1  44.132  20.266 -18.685
    8    HG3  GLU   1           HG1      GLU   1  44.302  21.991 -18.173
    9    H    MET   2           HN       MET   2  46.269  17.833 -15.916
   10    HA   MET   2           HA       MET   2  49.153  18.119 -15.355
   11    HB2  MET   2           HB2      MET   2  47.099  16.441 -13.753
   12    HB3  MET   2           HB1      MET   2  48.885  16.304 -13.567
   13    HG2  MET   2           HG2      MET   2  48.995  18.690 -12.822
   14    HG3  MET   2           HG1      MET   2  47.217  18.838 -13.011
   15    HE1  MET   2           HE1      MET   2  47.725  19.034  -9.158
   16    HE2  MET   2           HE2      MET   2  47.030  19.786 -10.635
   17    HE3  MET   2           HE3      MET   2  48.814  19.645 -10.452
   18    H    ARG   3           HN       ARG   3  50.419  16.228 -15.916
   19    HA   ARG   3           HA       ARG   3  49.048  14.500 -17.888
   20    HB2  ARG   3           HB2      ARG   3  52.014  15.326 -17.622
   21    HB3  ARG   3           HB1      ARG   3  51.394  14.140 -18.832
   22    HG2  ARG   3           HG2      ARG   3  50.028  15.878 -19.924
   23    HG3  ARG   3           HG1      ARG   3  50.474  17.087 -18.666
   24    HD2  ARG   3           HD2      ARG   3  52.902  16.928 -19.380
   25    HD3  ARG   3           HD1      ARG   3  52.422  15.752 -20.686
   26    HE   ARG   3           HE       ARG   3  50.748  18.014 -21.043
   27   HH11  ARG   3          HH11      ARG   3  54.300  17.386 -21.054
   28   HH12  ARG   3          HH12      ARG   3  54.653  18.651 -22.182
   29   HH21  ARG   3          HH21      ARG   3  51.279  19.710 -22.561
   30   HH22  ARG   3          HH22      ARG   3  52.919  19.983 -23.044
   31    H    LEU   4           HN       LEU   4  50.137  14.538 -14.673
   32    HA   LEU   4           HA       LEU   4  51.075  11.753 -14.784
   33    HB2  LEU   4           HB2      LEU   4  51.422  13.925 -12.628
   34    HB3  LEU   4           HB1      LEU   4  51.911  12.210 -12.386
   35    HG   LEU   4           HG       LEU   4  53.058  14.023 -14.612
   36   HD11  LEU   4          HD11      LEU   4  55.100  14.272 -13.195
   37   HD12  LEU   4          HD12      LEU   4  54.301  13.359 -11.858
   38   HD13  LEU   4          HD13      LEU   4  53.648  14.960 -12.376
   39   HD21  LEU   4          HD21      LEU   4  54.979  12.239 -14.537
   40   HD22  LEU   4          HD22      LEU   4  53.429  11.730 -15.293
   41   HD23  LEU   4          HD23      LEU   4  53.829  11.196 -13.617
   42    H    SER   5           HN       SER   5  48.187  13.041 -14.825
   43    HA   SER   5           HA       SER   5  47.096  12.045 -12.340
   44    HB2  SER   5           HB2      SER   5  46.191  14.129 -13.598
   45    HB3  SER   5           HB1      SER   5  45.558  13.001 -14.853
   46    HG   SER   5           HG       SER   5  44.561  11.930 -12.910
   47    H    LYS   6           HN       LYS   6  47.523  10.962 -15.726
   48    HA   LYS   6           HA       LYS   6  45.634   8.770 -15.516
   49    HB2  LYS   6           HB2      LYS   6  47.818   9.413 -17.607
   50    HB3  LYS   6           HB1      LYS   6  46.562   8.128 -17.777
   51    HG2  LYS   6           HG2      LYS   6  44.759   9.876 -17.706
   52    HG3  LYS   6           HG1      LYS   6  46.006  11.163 -17.535
   53    HD2  LYS   6           HD2      LYS   6  46.992  10.485 -19.749
   54    HD3  LYS   6           HD1      LYS   6  45.713   9.231 -19.919
   55    HE2  LYS   6           HE2      LYS   6  43.941  11.025 -19.940
   56    HE3  LYS   6           HE1      LYS   6  45.220  12.293 -19.736
   57    HZ1  LYS   6           HZ1      LYS   6  44.852  10.435 -22.029
   58    HZ2  LYS   6           HZ2      LYS   6  46.202  11.444 -21.825
   59    HZ3  LYS   6           HZ3      LYS   6  44.654  12.121 -22.004
   60    H    PHE   7           HN       PHE   7  48.965   9.407 -14.668
   61    HA   PHE   7           HA       PHE   7  50.074   6.781 -14.887
   62    HB2  PHE   7           HB2      PHE   7  50.808   9.436 -13.526
   63    HB3  PHE   7           HB1      PHE   7  51.725   7.951 -13.068
   64    HD1  PHE   7           HD1      PHE   7  50.698   9.894 -16.202
   65    HD2  PHE   7           HD2      PHE   7  53.686   7.524 -14.258
   66    HE1  PHE   7           HE1      PHE   7  52.231  10.289 -18.047
   67    HE2  PHE   7           HE2      PHE   7  55.192   7.943 -16.128
   68    HZ   PHE   7           HZ       PHE   7  54.475   9.321 -18.018
   69    H    PHE   8           HN       PHE   8  48.331   8.743 -12.626
   70    HA   PHE   8           HA       PHE   8  48.848   7.045 -10.367
   71    HB2  PHE   8           HB2      PHE   8  48.240   9.842 -11.032
   72    HB3  PHE   8           HB1      PHE   8  47.072   9.211  -9.817
   73    HD1  PHE   8           HD1      PHE   8  50.692   8.409 -10.375
   74    HD2  PHE   8           HD2      PHE   8  47.795  10.146  -7.737
   75    HE1  PHE   8           HE1      PHE   8  52.446   8.930  -8.802
   76    HE2  PHE   8           HE2      PHE   8  49.589  10.610  -6.118
   77    HZ   PHE   8           HZ       PHE   8  51.914  10.008  -6.642
   78    H    ARG   9           HN       ARG   9  46.603   7.451 -12.872
   79    HA   ARG   9           HA       ARG   9  44.418   6.389 -11.346
   80    HB2  ARG   9           HB2      ARG   9  44.468   7.937 -13.576
   81    HB3  ARG   9           HB1      ARG   9  44.610   6.351 -14.401
   82    HG2  ARG   9           HG2      ARG   9  42.543   5.708 -12.841
   83    HG3  ARG   9           HG1      ARG   9  42.355   7.493 -12.729
   84    HD2  ARG   9           HD2      ARG   9  40.984   7.004 -14.584
   85    HD3  ARG   9           HD1      ARG   9  42.568   7.377 -15.402
   86    HE   ARG   9           HE       ARG   9  42.413   4.547 -14.714
   87   HH11  ARG   9          HH11      ARG   9  41.189   6.939 -17.118
   88   HH12  ARG   9          HH12      ARG   9  40.914   5.751 -18.347
   89   HH21  ARG   9          HH21      ARG   9  42.024   2.994 -16.391
   90   HH22  ARG   9          HH22      ARG   9  41.394   3.485 -17.927
   91    H    ASP  10           HN       ASP  10  47.132   5.277 -13.357
   92    HA   ASP  10           HA       ASP  10  45.871   2.664 -13.470
   93    HB2  ASP  10           HB2      ASP  10  48.682   3.588 -14.374
   94    HB3  ASP  10           HB1      ASP  10  48.019   1.935 -14.662
   95    H    PHE  11           HN       PHE  11  48.299   4.380 -11.504
   96    HA   PHE  11           HA       PHE  11  49.222   1.973 -10.353
   97    HB2  PHE  11           HB2      PHE  11  51.103   3.159 -10.023
   98    HB3  PHE  11           HB1      PHE  11  50.232   4.628 -10.559
   99    HD1  PHE  11           HD1      PHE  11  50.806   2.562  -7.367
  100    HD2  PHE  11           HD2      PHE  11  49.862   6.245  -9.215
  101    HE1  PHE  11           HE1      PHE  11  50.613   3.659  -5.188
  102    HE2  PHE  11           HE2      PHE  11  49.707   7.293  -7.098
  103    HZ   PHE  11           HZ       PHE  11  50.018   6.051  -5.060
  104    H    ILE  12           HN       ILE  12  47.078   4.525  -9.110
  105    HA   ILE  12           HA       ILE  12  46.932   3.424  -6.535
  106    HB   ILE  12           HB       ILE  12  45.195   5.223  -8.207
  107   HG12  ILE  12          HG12      ILE  12  46.999   5.722  -5.784
  108   HG13  ILE  12          HG11      ILE  12  47.456   5.837  -7.516
  109   HG21  ILE  12          HG21      ILE  12  43.514   4.263  -6.631
  110   HG22  ILE  12          HG22      ILE  12  43.996   5.831  -5.909
  111   HG23  ILE  12          HG23      ILE  12  44.680   4.299  -5.255
  112   HD11  ILE  12          HD11      ILE  12  47.014   8.032  -6.613
  113   HD12  ILE  12          HD12      ILE  12  45.340   7.556  -6.139
  114   HD13  ILE  12          HD13      ILE  12  45.795   7.616  -7.892
  115    H    LEU  13           HN       LEU  13  45.215   2.790  -9.551
  116    HA   LEU  13           HA       LEU  13  42.985   1.511  -8.330
  117    HB2  LEU  13           HB2      LEU  13  44.148   1.814 -11.078
  118    HB3  LEU  13           HB1      LEU  13  42.727   0.735 -10.846
  119    HG   LEU  13           HG       LEU  13  42.330   3.136 -11.611
  120   HD11  LEU  13          HD11      LEU  13  40.466   1.734 -10.890
  121   HD12  LEU  13          HD12      LEU  13  40.190   3.433 -10.356
  122   HD13  LEU  13          HD13      LEU  13  40.738   2.193  -9.171
  123   HD21  LEU  13          HD21      LEU  13  43.891   4.348  -9.951
  124   HD22  LEU  13          HD22      LEU  13  42.621   4.086  -8.686
  125   HD23  LEU  13          HD23      LEU  13  42.245   5.062 -10.147
  126    H    GLN  14           HN       GLN  14  46.156   0.326  -9.328
  127    HA   GLN  14           HA       GLN  14  45.322  -2.463  -9.270
  128    HB2  GLN  14           HB2      GLN  14  48.094  -1.145  -9.510
  129    HB3  GLN  14           HB1      GLN  14  47.833  -2.933  -9.531
  130    HG2  GLN  14           HG2      GLN  14  46.379  -2.704 -11.579
  131    HG3  GLN  14           HG1      GLN  14  46.651  -0.922 -11.578
  132   HE21  GLN  14          HE21      GLN  14  48.920  -0.108 -11.989
  133   HE22  GLN  14          HE22      GLN  14  50.060  -1.114 -12.816
  134    H    ARG  15           HN       ARG  15  46.017  -0.169  -6.771
  135    HA   ARG  15           HA       ARG  15  47.128  -2.252  -5.001
  136    HB2  ARG  15           HB2      ARG  15  47.107   0.796  -4.713
  137    HB3  ARG  15           HB1      ARG  15  47.733  -0.356  -3.468
  138    HG2  ARG  15           HG2      ARG  15  49.320  -1.275  -5.297
  139    HG3  ARG  15           HG1      ARG  15  48.820   0.132  -6.304
  140    HD2  ARG  15           HD2      ARG  15  49.568   1.685  -4.443
  141    HD3  ARG  15           HD1      ARG  15  50.160   0.224  -3.534
  142    HE   ARG  15           HE       ARG  15  51.285   0.205  -6.203
  143   HH11  ARG  15          HH11      ARG  15  51.569   1.985  -3.081
  144   HH12  ARG  15          HH12      ARG  15  53.200   2.491  -3.367
  145   HH21  ARG  15          HH21      ARG  15  53.479   0.930  -6.550
  146   HH22  ARG  15          HH22      ARG  15  54.292   1.886  -5.357
  147    H    LYS  16           HN       LYS  16  44.220  -2.038  -5.871
  148    HA   LYS  16           HA       LYS  16  42.948  -1.234  -3.343
  149    HB2  LYS  16           HB2      LYS  16  41.750  -1.784  -6.116
  150    HB3  LYS  16           HB1      LYS  16  40.808  -1.350  -4.636
  151    HG2  LYS  16           HG2      LYS  16  42.402   0.776  -4.543
  152    HG3  LYS  16           HG1      LYS  16  42.773   0.356  -6.249
  153    HD2  LYS  16           HD2      LYS  16  40.353   0.479  -6.821
  154    HD3  LYS  16           HD1      LYS  16  39.973   0.833  -5.097
  155    HE2  LYS  16           HE2      LYS  16  41.269   2.997  -5.248
  156    HE3  LYS  16           HE1      LYS  16  41.660   2.641  -6.980
  157    HZ1  LYS  16           HZ1      LYS  16  38.950   2.364  -6.802
  158    HZ2  LYS  16           HZ2      LYS  16  39.806   3.690  -7.428
  159    HZ3  LYS  16           HZ3      LYS  16  39.283   3.703  -5.813
  160    H    LYS  17           HN       LYS  17  44.414  -3.852  -4.839
  161    HA   LYS  17           HA       LYS  17  42.566  -5.726  -3.569
  162    HB2  LYS  17           HB2      LYS  17  43.904  -5.803  -6.307
  163    HB3  LYS  17           HB1      LYS  17  43.759  -7.353  -5.416
  164    HG2  LYS  17           HG2      LYS  17  41.788  -7.453  -6.620
  165    HG3  LYS  17           HG1      LYS  17  41.172  -6.620  -5.156
  166    HD2  LYS  17           HD2      LYS  17  41.457  -4.386  -6.367
  167    HD3  LYS  17           HD1      LYS  17  41.995  -5.279  -7.824
  168    HE2  LYS  17           HE2      LYS  17  39.649  -4.755  -8.176
  169    HE3  LYS  17           HE1      LYS  17  39.688  -6.515  -7.764
  170    HZ1  LYS  17           HZ1      LYS  17  38.580  -6.147  -5.890
  171    HZ2  LYS  17           HZ2      LYS  17  38.129  -4.674  -6.603
  172    HZ3  LYS  17           HZ3      LYS  17  39.419  -4.723  -5.500
  Start of MODEL    6
    1    H1   GLU   1           HT1      GLU   1  56.060  16.778 -17.044
    2    H2   GLU   1           HT2      GLU   1  55.098  17.674 -18.121
    3    H3   GLU   1           HT3      GLU   1  54.382  16.521 -17.100
    4    HA   GLU   1           HA       GLU   1  55.881  18.374 -15.613
    5    HB2  GLU   1           HB2      GLU   1  55.242  19.818 -17.674
    6    HB3  GLU   1           HB1      GLU   1  53.520  19.596 -17.209
    7    HG2  GLU   1           HG2      GLU   1  53.949  20.769 -15.007
    8    HG3  GLU   1           HG1      GLU   1  55.697  20.944 -15.431
    9    H    MET   2           HN       MET   2  52.411  17.653 -16.602
   10    HA   MET   2           HA       MET   2  51.896  16.886 -13.799
   11    HB2  MET   2           HB2      MET   2  50.041  18.531 -15.655
   12    HB3  MET   2           HB1      MET   2  49.517  17.798 -14.096
   13    HG2  MET   2           HG2      MET   2  51.182  19.205 -12.871
   14    HG3  MET   2           HG1      MET   2  51.711  19.940 -14.421
   15    HE1  MET   2           HE1      MET   2  51.386  22.282 -13.371
   16    HE2  MET   2           HE2      MET   2  50.839  21.512 -11.841
   17    HE3  MET   2           HE3      MET   2  49.886  22.853 -12.563
   18    H    ARG   3           HN       ARG   3  50.309  15.194 -13.547
   19    HA   ARG   3           HA       ARG   3  49.995  13.561 -15.981
   20    HB2  ARG   3           HB2      ARG   3  49.887  12.836 -12.978
   21    HB3  ARG   3           HB1      ARG   3  49.433  11.687 -14.286
   22    HG2  ARG   3           HG2      ARG   3  51.756  11.849 -15.237
   23    HG3  ARG   3           HG1      ARG   3  52.214  12.981 -13.914
   24    HD2  ARG   3           HD2      ARG   3  51.766  11.189 -12.199
   25    HD3  ARG   3           HD1      ARG   3  51.268  10.041 -13.522
   26    HE   ARG   3           HE       ARG   3  53.913  11.065 -14.106
   27   HH11  ARG   3          HH11      ARG   3  52.239   8.871 -11.774
   28   HH12  ARG   3          HH12      ARG   3  53.643   7.901 -11.476
   29   HH21  ARG   3          HH21      ARG   3  55.781   9.714 -13.661
   30   HH22  ARG   3          HH22      ARG   3  55.667   8.386 -12.555
   31    H    LEU   4           HN       LEU   4  47.892  12.248 -16.039
   32    HA   LEU   4           HA       LEU   4  45.662  14.053 -15.700
   33    HB2  LEU   4           HB2      LEU   4  45.727  11.195 -16.821
   34    HB3  LEU   4           HB1      LEU   4  44.349  12.342 -16.954
   35    HG   LEU   4           HG       LEU   4  47.122  12.760 -18.252
   36   HD11  LEU   4          HD11      LEU   4  44.488  11.862 -19.593
   37   HD12  LEU   4          HD12      LEU   4  45.880  10.785 -19.196
   38   HD13  LEU   4          HD13      LEU   4  46.087  12.117 -20.395
   39   HD21  LEU   4          HD21      LEU   4  46.210  14.975 -18.043
   40   HD22  LEU   4          HD22      LEU   4  44.523  14.424 -18.362
   41   HD23  LEU   4          HD23      LEU   4  45.725  14.475 -19.705
   42    H    SER   5           HN       SER   5  43.510  13.111 -14.901
   43    HA   SER   5           HA       SER   5  43.954  11.929 -12.293
   44    HB2  SER   5           HB2      SER   5  41.346  12.796 -13.732
   45    HB3  SER   5           HB1      SER   5  41.428  12.192 -12.024
   46    HG   SER   5           HG       SER   5  43.150  14.253 -12.732
   47    H    LYS   6           HN       LYS   6  43.325  10.929 -15.558
   48    HA   LYS   6           HA       LYS   6  42.028   8.410 -14.873
   49    HB2  LYS   6           HB2      LYS   6  43.143   9.513 -17.543
   50    HB3  LYS   6           HB1      LYS   6  42.219   7.973 -17.359
   51    HG2  LYS   6           HG2      LYS   6  40.226   9.266 -16.533
   52    HG3  LYS   6           HG1      LYS   6  41.141  10.803 -16.720
   53    HD2  LYS   6           HD2      LYS   6  41.370  10.354 -19.185
   54    HD3  LYS   6           HD1      LYS   6  40.430   8.833 -18.984
   55    HE2  LYS   6           HE2      LYS   6  38.423  10.161 -18.224
   56    HE3  LYS   6           HE1      LYS   6  39.371  11.696 -18.396
   57    HZ1  LYS   6           HZ1      LYS   6  39.178  11.640 -20.599
   58    HZ2  LYS   6           HZ2      LYS   6  37.832  10.653 -20.288
   59    HZ3  LYS   6           HZ3      LYS   6  39.317   9.953 -20.725
   60    H    PHE   7           HN       PHE   7  45.268   9.849 -15.206
   61    HA   PHE   7           HA       PHE   7  46.698   7.411 -15.754
   62    HB2  PHE   7           HB2      PHE   7  47.276  10.266 -15.350
   63    HB3  PHE   7           HB1      PHE   7  48.371   9.307 -14.278
   64    HD1  PHE   7           HD1      PHE   7  47.247   9.760 -17.847
   65    HD2  PHE   7           HD2      PHE   7  50.296   8.291 -15.244
   66    HE1  PHE   7           HE1      PHE   7  48.716   9.435 -19.742
   67    HE2  PHE   7           HE2      PHE   7  51.756   7.973 -17.173
   68    HZ   PHE   7           HZ       PHE   7  50.977   8.541 -19.425
   69    H    PHE   8           HN       PHE   8  45.380   9.132 -13.056
   70    HA   PHE   8           HA       PHE   8  46.984   7.769 -11.093
   71    HB2  PHE   8           HB2      PHE   8  45.574  10.306 -11.485
   72    HB3  PHE   8           HB1      PHE   8  44.965   9.493  -9.996
   73    HD1  PHE   8           HD1      PHE   8  48.348   9.527 -11.605
   74    HD2  PHE   8           HD2      PHE   8  46.029  10.614  -8.167
   75    HE1  PHE   8           HE1      PHE   8  50.309  10.498 -10.588
   76    HE2  PHE   8           HE2      PHE   8  48.054  11.542  -7.122
   77    HZ   PHE   8           HZ       PHE   8  50.199  11.493  -8.327
   78    H    ARG   9           HN       ARG   9  44.042   7.452 -12.742
   79    HA   ARG   9           HA       ARG   9  42.798   5.980 -10.606
   80    HB2  ARG   9           HB2      ARG   9  41.523   7.434 -12.255
   81    HB3  ARG   9           HB1      ARG   9  42.099   6.390 -13.594
   82    HG2  ARG   9           HG2      ARG   9  40.822   4.516 -12.788
   83    HG3  ARG   9           HG1      ARG   9  40.404   5.358 -11.255
   84    HD2  ARG   9           HD2      ARG   9  39.088   7.057 -12.528
   85    HD3  ARG   9           HD1      ARG   9  39.529   6.228 -14.091
   86    HE   ARG   9           HE       ARG   9  38.369   4.228 -12.419
   87   HH11  ARG   9          HH11      ARG   9  37.315   7.325 -13.942
   88   HH12  ARG   9          HH12      ARG   9  35.652   6.854 -14.053
   89   HH21  ARG   9          HH21      ARG   9  36.116   3.646 -12.590
   90   HH22  ARG   9          HH22      ARG   9  34.966   4.744 -13.275
   91    H    ASP  10           HN       ASP  10  44.911   5.501 -13.448
   92    HA   ASP  10           HA       ASP  10  44.420   2.631 -13.268
   93    HB2  ASP  10           HB2      ASP  10  46.431   4.221 -14.998
   94    HB3  ASP  10           HB1      ASP  10  46.174   2.441 -15.121
   95    H    PHE  11           HN       PHE  11  46.787   4.993 -12.049
   96    HA   PHE  11           HA       PHE  11  48.596   2.910 -11.395
   97    HB2  PHE  11           HB2      PHE  11  50.180   4.483 -11.680
   98    HB3  PHE  11           HB1      PHE  11  48.882   5.702 -11.873
   99    HD1  PHE  11           HD1      PHE  11  51.034   4.048  -9.167
  100    HD2  PHE  11           HD2      PHE  11  48.482   7.211 -10.379
  101    HE1  PHE  11           HE1      PHE  11  51.326   5.166  -7.009
  102    HE2  PHE  11           HE2      PHE  11  48.792   8.290  -8.292
  103    HZ   PHE  11           HZ       PHE  11  50.149   7.303  -6.559
  104    H    ILE  12           HN       ILE  12  46.433   4.945  -9.442
  105    HA   ILE  12           HA       ILE  12  47.433   3.973  -7.000
  106    HB   ILE  12           HB       ILE  12  44.857   5.232  -7.911
  107   HG12  ILE  12          HG12      ILE  12  47.214   6.240  -6.237
  108   HG13  ILE  12          HG11      ILE  12  46.982   6.400  -8.010
  109   HG21  ILE  12          HG21      ILE  12  45.608   4.338  -4.997
  110   HG22  ILE  12          HG22      ILE  12  44.089   3.966  -5.897
  111   HG23  ILE  12          HG23      ILE  12  44.396   5.634  -5.318
  112   HD11  ILE  12          HD11      ILE  12  46.404   8.453  -6.852
  113   HD12  ILE  12          HD12      ILE  12  45.127   7.601  -5.905
  114   HD13  ILE  12          HD13      ILE  12  44.965   7.741  -7.705
  115    H    LEU  13           HN       LEU  13  44.995   2.828  -9.288
  116    HA   LEU  13           HA       LEU  13  43.691   1.107  -7.424
  117    HB2  LEU  13           HB2      LEU  13  43.721   1.542 -10.401
  118    HB3  LEU  13           HB1      LEU  13  42.761   0.181  -9.716
  119    HG   LEU  13           HG       LEU  13  41.553   2.363 -10.217
  120   HD11  LEU  13          HD11      LEU  13  39.981   2.232  -8.316
  121   HD12  LEU  13          HD12      LEU  13  41.214   1.347  -7.343
  122   HD13  LEU  13          HD13      LEU  13  40.524   0.590  -8.826
  123   HD21  LEU  13          HD21      LEU  13  42.623   3.571  -7.584
  124   HD22  LEU  13          HD22      LEU  13  41.568   4.331  -8.826
  125   HD23  LEU  13          HD23      LEU  13  43.299   4.000  -9.211
  126    H    GLN  14           HN       GLN  14  46.437   0.642  -9.666
  127    HA   GLN  14           HA       GLN  14  46.409  -2.236  -9.412
  128    HB2  GLN  14           HB2      GLN  14  48.548  -0.292 -10.473
  129    HB3  GLN  14           HB1      GLN  14  48.778  -2.084 -10.441
  130    HG2  GLN  14           HG2      GLN  14  46.743  -2.363 -11.922
  131    HG3  GLN  14           HG1      GLN  14  46.560  -0.570 -11.993
  132   HE21  GLN  14          HE21      GLN  14  48.342   0.719 -13.081
  133   HE22  GLN  14          HE22      GLN  14  49.383  -0.052 -14.229
  134    H    ARG  15           HN       ARG  15  47.454   0.320  -7.255
  135    HA   ARG  15           HA       ARG  15  49.453  -1.425  -5.986
  136    HB2  ARG  15           HB2      ARG  15  48.868   1.559  -5.629
  137    HB3  ARG  15           HB1      ARG  15  50.068   0.631  -4.648
  138    HG2  ARG  15           HG2      ARG  15  51.208  -0.035  -6.864
  139    HG3  ARG  15           HG1      ARG  15  50.129   1.149  -7.684
  140    HD2  ARG  15           HD2      ARG  15  51.030   2.971  -6.157
  141    HD3  ARG  15           HD1      ARG  15  52.173   1.743  -5.455
  142    HE   ARG  15           HE       ARG  15  52.440   1.750  -8.341
  143   HH11  ARG  15          HH11      ARG  15  53.226   3.803  -5.477
  144   HH12  ARG  15          HH12      ARG  15  54.553   4.601  -6.252
  145   HH21  ARG  15          HH21      ARG  15  54.239   2.867  -9.337
  146   HH22  ARG  15          HH22      ARG  15  55.132   4.065  -8.462
  147    H    LYS  16           HN       LYS  16  46.308  -1.624  -5.884
  148    HA   LYS  16           HA       LYS  16  45.916  -1.251  -2.997
  149    HB2  LYS  16           HB2      LYS  16  43.968  -1.987  -5.241
  150    HB3  LYS  16           HB1      LYS  16  43.529  -1.985  -3.490
  151    HG2  LYS  16           HG2      LYS  16  44.315   0.488  -3.427
  152    HG3  LYS  16           HG1      LYS  16  44.403   0.403  -5.222
  153    HD2  LYS  16           HD2      LYS  16  41.999  -0.214  -5.331
  154    HD3  LYS  16           HD1      LYS  16  41.918  -0.203  -3.534
  155    HE2  LYS  16           HE2      LYS  16  42.443   2.276  -3.526
  156    HE3  LYS  16           HE1      LYS  16  42.505   2.258  -5.338
  157    HZ1  LYS  16           HZ1      LYS  16  40.333   2.415  -5.400
  158    HZ2  LYS  16           HZ2      LYS  16  40.304   2.615  -3.714
  159    HZ3  LYS  16           HZ3      LYS  16  40.107   1.069  -4.388
  160    H    LYS  17           HN       LYS  17  46.986  -3.556  -5.311
  161    HA   LYS  17           HA       LYS  17  47.378  -5.674  -5.361
  162    HB2  LYS  17           HB2      LYS  17  47.189  -5.714  -2.278
  163    HB3  LYS  17           HB1      LYS  17  47.920  -7.001  -3.297
  164    HG2  LYS  17           HG2      LYS  17  49.904  -5.944  -2.962
  165    HG3  LYS  17           HG1      LYS  17  49.344  -4.741  -4.168
  166    HD2  LYS  17           HD2      LYS  17  48.483  -3.272  -2.346
  167    HD3  LYS  17           HD1      LYS  17  48.923  -4.502  -1.110
  168    HE2  LYS  17           HE2      LYS  17  51.381  -4.243  -1.801
  169    HE3  LYS  17           HE1      LYS  17  50.878  -2.917  -2.929
  170    HZ1  LYS  17           HZ1      LYS  17  51.265  -1.661  -1.165
  171    HZ2  LYS  17           HZ2      LYS  17  51.143  -2.936  -0.048
  172    HZ3  LYS  17           HZ3      LYS  17  49.739  -2.168  -0.618
  Start of MODEL    7
    1    H1   GLU   1           HT1      GLU   1  50.458  22.742 -15.524
    2    H2   GLU   1           HT2      GLU   1  48.824  22.703 -15.064
    3    H3   GLU   1           HT3      GLU   1  49.305  23.626 -16.405
    4    HA   GLU   1           HA       GLU   1  48.292  21.153 -16.503
    5    HB2  GLU   1           HB2      GLU   1  50.189  22.616 -18.466
    6    HB3  GLU   1           HB1      GLU   1  49.346  21.084 -18.910
    7    HG2  GLU   1           HG2      GLU   1  47.102  22.184 -18.547
    8    HG3  GLU   1           HG1      GLU   1  47.925  23.724 -18.086
    9    H    MET   2           HN       MET   2  48.956  19.195 -15.700
   10    HA   MET   2           HA       MET   2  51.831  18.532 -15.937
   11    HB2  MET   2           HB2      MET   2  49.758  17.602 -13.832
   12    HB3  MET   2           HB1      MET   2  51.425  16.936 -13.984
   13    HG2  MET   2           HG2      MET   2  52.390  19.176 -13.469
   14    HG3  MET   2           HG1      MET   2  50.753  19.891 -13.393
   15    HE1  MET   2           HE1      MET   2  53.546  17.878 -11.821
   16    HE2  MET   2           HE2      MET   2  52.433  16.468 -11.869
   17    HE3  MET   2           HE3      MET   2  52.909  17.182 -10.292
   18    H    ARG   3           HN       ARG   3  48.446  17.184 -15.797
   19    HA   ARG   3           HA       ARG   3  47.401  15.585 -16.836
   20    HB2  ARG   3           HB2      ARG   3  48.323  16.886 -18.938
   21    HB3  ARG   3           HB1      ARG   3  49.450  15.508 -19.141
   22    HG2  ARG   3           HG2      ARG   3  47.479  13.936 -19.313
   23    HG3  ARG   3           HG1      ARG   3  46.356  15.328 -19.102
   24    HD2  ARG   3           HD2      ARG   3  47.309  16.375 -21.238
   25    HD3  ARG   3           HD1      ARG   3  48.325  14.880 -21.464
   26    HE   ARG   3           HE       ARG   3  45.600  14.040 -21.102
   27   HH11  ARG   3          HH11      ARG   3  47.568  15.880 -23.504
   28   HH12  ARG   3          HH12      ARG   3  46.578  15.434 -24.852
   29   HH21  ARG   3          HH21      ARG   3  44.297  13.469 -22.961
   30   HH22  ARG   3          HH22      ARG   3  44.703  14.054 -24.540
   31    H    LEU   4           HN       LEU   4  48.246  14.394 -14.850
   32    HA   LEU   4           HA       LEU   4  49.507  11.903 -15.762
   33    HB2  LEU   4           HB2      LEU   4  50.203  13.471 -13.178
   34    HB3  LEU   4           HB1      LEU   4  50.662  11.751 -13.434
   35    HG   LEU   4           HG       LEU   4  51.609  14.075 -15.233
   36   HD11  LEU   4          HD11      LEU   4  52.465  14.383 -12.905
   37   HD12  LEU   4          HD12      LEU   4  53.799  13.952 -14.038
   38   HD13  LEU   4          HD13      LEU   4  53.134  12.706 -12.913
   39   HD21  LEU   4          HD21      LEU   4  51.850  12.076 -16.545
   40   HD22  LEU   4          HD22      LEU   4  52.356  11.079 -15.128
   41   HD23  LEU   4          HD23      LEU   4  53.481  12.309 -15.818
   42    H    SER   5           HN       SER   5  46.674  12.711 -15.520
   43    HA   SER   5           HA       SER   5  45.786  11.641 -12.976
   44    HB2  SER   5           HB2      SER   5  44.192  12.628 -15.434
   45    HB3  SER   5           HB1      SER   5  43.442  12.089 -13.874
   46    HG   SER   5           HG       SER   5  45.475  13.994 -13.771
   47    H    LYS   6           HN       LYS   6  46.415  10.389 -16.227
   48    HA   LYS   6           HA       LYS   6  44.601   8.131 -15.908
   49    HB2  LYS   6           HB2      LYS   6  46.725   8.771 -18.051
   50    HB3  LYS   6           HB1      LYS   6  45.630   7.336 -18.092
   51    HG2  LYS   6           HG2      LYS   6  43.634   8.880 -18.147
   52    HG3  LYS   6           HG1      LYS   6  44.740  10.298 -18.154
   53    HD2  LYS   6           HD2      LYS   6  45.736   9.507 -20.318
   54    HD3  LYS   6           HD1      LYS   6  44.627   8.090 -20.306
   55    HE2  LYS   6           HE2      LYS   6  42.636   9.638 -20.444
   56    HE3  LYS   6           HE1      LYS   6  43.749  11.068 -20.444
   57    HZ1  LYS   6           HZ1      LYS   6  43.256   9.056 -22.528
   58    HZ2  LYS   6           HZ2      LYS   6  44.786   9.787 -22.446
   59    HZ3  LYS   6           HZ3      LYS   6  43.397  10.745 -22.638
   60    H    PHE   7           HN       PHE   7  47.785   9.063 -14.989
   61    HA   PHE   7           HA       PHE   7  49.049   6.481 -15.045
   62    HB2  PHE   7           HB2      PHE   7  49.736   9.308 -14.045
   63    HB3  PHE   7           HB1      PHE   7  50.771   7.910 -13.549
   64    HD1  PHE   7           HD1      PHE   7  49.467   9.757 -16.592
   65    HD2  PHE   7           HD2      PHE   7  52.470   7.149 -15.015
   66    HE1  PHE   7           HE1      PHE   7  50.759   9.979 -18.648
   67    HE2  PHE   7           HE2      PHE   7  53.736   7.394 -17.086
   68    HZ   PHE   7           HZ       PHE   7  52.889   8.803 -18.900
   69    H    PHE   8           HN       PHE   8  47.277   8.597 -12.871
   70    HA   PHE   8           HA       PHE   8  48.201   7.185 -10.530
   71    HB2  PHE   8           HB2      PHE   8  47.296   9.845 -11.335
   72    HB3  PHE   8           HB1      PHE   8  46.299   9.242  -9.965
   73    HD1  PHE   8           HD1      PHE   8  49.906   8.694 -10.838
   74    HD2  PHE   8           HD2      PHE   8  47.134  10.345  -8.018
   75    HE1  PHE   8           HE1      PHE   8  51.754   9.509  -9.501
   76    HE2  PHE   8           HE2      PHE   8  49.023  11.102  -6.637
   77    HZ   PHE   8           HZ       PHE   8  51.334  10.696  -7.371
   78    H    ARG   9           HN       ARG   9  45.506   7.153 -12.702
   79    HA   ARG   9           HA       ARG   9  43.875   6.013 -10.581
   80    HB2  ARG   9           HB2      ARG   9  42.063   5.777 -12.158
   81    HB3  ARG   9           HB1      ARG   9  42.754   7.425 -12.325
   82    HG2  ARG   9           HG2      ARG   9  44.090   6.505 -14.347
   83    HG3  ARG   9           HG1      ARG   9  43.070   5.030 -14.232
   84    HD2  ARG   9           HD2      ARG   9  40.999   6.450 -14.473
   85    HD3  ARG   9           HD1      ARG   9  42.064   7.920 -14.654
   86    HE   ARG   9           HE       ARG   9  42.869   5.846 -16.546
   87   HH11  ARG   9          HH11      ARG   9  40.291   8.319 -16.022
   88   HH12  ARG   9          HH12      ARG   9  39.926   8.476 -17.708
   89   HH21  ARG   9          HH21      ARG   9  42.335   6.102 -18.798
   90   HH22  ARG   9          HH22      ARG   9  41.097   7.206 -19.297
   91    H    ASP  10           HN       ASP  10  46.171   4.969 -13.086
   92    HA   ASP  10           HA       ASP  10  45.144   2.258 -12.684
   93    HB2  ASP  10           HB2      ASP  10  47.312   3.439 -14.515
   94    HB3  ASP  10           HB1      ASP  10  47.188   1.657 -14.278
   95    H    PHE  11           HN       PHE  11  47.525   4.365 -11.244
   96    HA   PHE  11           HA       PHE  11  48.962   2.098 -10.295
   97    HB2  PHE  11           HB2      PHE  11  50.798   3.407 -10.410
   98    HB3  PHE  11           HB1      PHE  11  49.744   4.779 -10.857
   99    HD1  PHE  11           HD1      PHE  11  51.110   3.011  -7.746
  100    HD2  PHE  11           HD2      PHE  11  49.483   6.482  -9.553
  101    HE1  PHE  11           HE1      PHE  11  51.283   4.237  -5.636
  102    HE2  PHE  11           HE2      PHE  11  49.674   7.661  -7.490
  103    HZ   PHE  11           HZ       PHE  11  50.523   6.585  -5.510
  104    H    ILE  12           HN       ILE  12  46.917   4.583  -8.818
  105    HA   ILE  12           HA       ILE  12  47.370   3.658  -6.200
  106    HB   ILE  12           HB       ILE  12  45.235   5.261  -7.587
  107   HG12  ILE  12          HG12      ILE  12  47.419   6.015  -5.583
  108   HG13  ILE  12          HG11      ILE  12  47.558   6.011  -7.371
  109   HG21  ILE  12          HG21      ILE  12  45.366   4.529  -4.539
  110   HG22  ILE  12          HG22      ILE  12  43.963   4.301  -5.650
  111   HG23  ILE  12          HG23      ILE  12  44.450   5.954  -5.152
  112   HD11  ILE  12          HD11      ILE  12  47.158   8.249  -6.494
  113   HD12  ILE  12          HD12      ILE  12  45.575   7.723  -5.801
  114   HD13  ILE  12          HD13      ILE  12  45.821   7.703  -7.596
  115    H    LEU  13           HN       LEU  13  45.080   2.789  -8.747
  116    HA   LEU  13           HA       LEU  13  43.222   1.529  -6.987
  117    HB2  LEU  13           HB2      LEU  13  43.712   1.681  -9.949
  118    HB3  LEU  13           HB1      LEU  13  42.410   0.615  -9.321
  119    HG   LEU  13           HG       LEU  13  41.729   2.897 -10.142
  120   HD11  LEU  13          HD11      LEU  13  40.904   2.404  -7.221
  121   HD12  LEU  13          HD12      LEU  13  40.254   1.520  -8.655
  122   HD13  LEU  13          HD13      LEU  13  39.969   3.292  -8.485
  123   HD21  LEU  13          HD21      LEU  13  42.701   4.221  -7.535
  124   HD22  LEU  13          HD22      LEU  13  42.050   4.982  -9.034
  125   HD23  LEU  13          HD23      LEU  13  43.692   4.240  -9.050
  126    H    GLN  14           HN       GLN  14  45.925   0.269  -8.995
  127    HA   GLN  14           HA       GLN  14  45.087  -2.471  -8.643
  128    HB2  GLN  14           HB2      GLN  14  47.705  -1.319  -9.784
  129    HB3  GLN  14           HB1      GLN  14  47.204  -3.054  -9.872
  130    HG2  GLN  14           HG2      GLN  14  45.148  -2.376 -11.211
  131    HG3  GLN  14           HG1      GLN  14  45.709  -0.655 -11.144
  132   HE21  GLN  14          HE21      GLN  14  45.734  -0.794 -13.604
  133   HE22  GLN  14          HE22      GLN  14  47.115  -1.480 -14.388
  134    H    ARG  15           HN       ARG  15  46.657  -0.418  -6.344
  135    HA   ARG  15           HA       ARG  15  48.445  -2.533  -5.403
  136    HB2  ARG  15           HB2      ARG  15  48.019   0.344  -4.488
  137    HB3  ARG  15           HB1      ARG  15  49.081  -0.824  -3.609
  138    HG2  ARG  15           HG2      ARG  15  50.334  -1.198  -5.821
  139    HG3  ARG  15           HG1      ARG  15  49.384   0.165  -6.506
  140    HD2  ARG  15           HD2      ARG  15  50.296   1.691  -4.714
  141    HD3  ARG  15           HD1      ARG  15  51.268   0.296  -4.068
  142    HE   ARG  15           HE       ARG  15  51.821   0.621  -6.895
  143   HH11  ARG  15          HH11      ARG  15  52.472   2.239  -3.734
  144   HH12  ARG  15          HH12      ARG  15  53.928   3.001  -4.278
  145   HH21  ARG  15          HH21      ARG  15  53.785   1.692  -7.579
  146   HH22  ARG  15          HH22      ARG  15  54.678   2.689  -6.479
  147    H    LYS  16           HN       LYS  16  45.160  -1.866  -5.071
  148    HA   LYS  16           HA       LYS  16  45.133  -2.982  -2.341
  149    HB2  LYS  16           HB2      LYS  16  43.004  -1.217  -3.721
  150    HB3  LYS  16           HB1      LYS  16  42.832  -1.956  -2.089
  151    HG2  LYS  16           HG2      LYS  16  45.041   0.087  -2.825
  152    HG3  LYS  16           HG1      LYS  16  43.440   0.537  -2.159
  153    HD2  LYS  16           HD2      LYS  16  43.944  -0.896  -0.103
  154    HD3  LYS  16           HD1      LYS  16  45.582  -1.216  -0.753
  155    HE2  LYS  16           HE2      LYS  16  44.529   1.645  -0.178
  156    HE3  LYS  16           HE1      LYS  16  45.440   0.647   1.025
  157    HZ1  LYS  16           HZ1      LYS  16  46.719   2.279  -0.388
  158    HZ2  LYS  16           HZ2      LYS  16  46.504   1.205  -1.688
  159    HZ3  LYS  16           HZ3      LYS  16  47.330   0.696  -0.294
  160    H    LYS  17           HN       LYS  17  44.849  -3.714  -5.629
  161    HA   LYS  17           HA       LYS  17  42.619  -5.545  -5.230
  162    HB2  LYS  17           HB2      LYS  17  44.228  -4.630  -7.682
  163    HB3  LYS  17           HB1      LYS  17  43.042  -5.987  -7.764
  164    HG2  LYS  17           HG2      LYS  17  41.199  -4.486  -7.082
  165    HG3  LYS  17           HG1      LYS  17  42.341  -3.119  -6.850
  166    HD2  LYS  17           HD2      LYS  17  42.920  -3.166  -9.266
  167    HD3  LYS  17           HD1      LYS  17  41.812  -4.561  -9.530
  168    HE2  LYS  17           HE2      LYS  17  39.843  -3.112  -8.835
  169    HE3  LYS  17           HE1      LYS  17  40.972  -1.714  -8.602
  170    HZ1  LYS  17           HZ1      LYS  17  41.619  -2.202 -11.017
  171    HZ2  LYS  17           HZ2      LYS  17  40.139  -1.434 -10.702
  172    HZ3  LYS  17           HZ3      LYS  17  40.171  -3.085 -11.095
  Start of MODEL    8
    1    H1   GLU   1           HT1      GLU   1  51.835  21.941 -21.235
    2    H2   GLU   1           HT2      GLU   1  52.791  20.881 -20.315
    3    H3   GLU   1           HT3      GLU   1  52.448  22.438 -19.730
    4    HA   GLU   1           HA       GLU   1  50.800  21.568 -18.619
    5    HB2  GLU   1           HB2      GLU   1  49.733  21.203 -21.500
    6    HB3  GLU   1           HB1      GLU   1  48.708  20.831 -20.064
    7    HG2  GLU   1           HG2      GLU   1  48.942  23.215 -19.253
    8    HG3  GLU   1           HG1      GLU   1  49.974  23.603 -20.685
    9    H    MET   2           HN       MET   2  50.856  19.754 -17.364
   10    HA   MET   2           HA       MET   2  50.902  17.133 -18.724
   11    HB2  MET   2           HB2      MET   2  52.491  17.968 -16.200
   12    HB3  MET   2           HB1      MET   2  52.311  16.269 -16.768
   13    HG2  MET   2           HG2      MET   2  53.482  16.855 -18.899
   14    HG3  MET   2           HG1      MET   2  53.662  18.551 -18.342
   15    HE1  MET   2           HE1      MET   2  57.308  17.161 -18.296
   16    HE2  MET   2           HE2      MET   2  56.177  18.423 -18.895
   17    HE3  MET   2           HE3      MET   2  55.978  16.715 -19.420
   18    H    ARG   3           HN       ARG   3  49.817  15.421 -17.523
   19    HA   ARG   3           HA       ARG   3  48.027  16.408 -15.389
   20    HB2  ARG   3           HB2      ARG   3  47.353  14.478 -17.711
   21    HB3  ARG   3           HB1      ARG   3  46.296  14.744 -16.276
   22    HG2  ARG   3           HG2      ARG   3  45.983  17.133 -16.900
   23    HG3  ARG   3           HG1      ARG   3  47.122  16.955 -18.275
   24    HD2  ARG   3           HD2      ARG   3  44.794  16.887 -19.134
   25    HD3  ARG   3           HD1      ARG   3  45.528  15.232 -19.320
   26    HE   ARG   3           HE       ARG   3  44.141  15.446 -16.758
   27   HH11  ARG   3          HH11      ARG   3  43.465  15.142 -20.292
   28   HH12  ARG   3          HH12      ARG   3  41.975  14.290 -20.062
   29   HH21  ARG   3          HH21      ARG   3  42.133  14.287 -16.511
   30   HH22  ARG   3          HH22      ARG   3  41.214  13.802 -17.896
   31    H    LEU   4           HN       LEU   4  47.586  14.894 -13.713
   32    HA   LEU   4           HA       LEU   4  49.139  12.400 -13.815
   33    HB2  LEU   4           HB2      LEU   4  48.939  14.419 -11.487
   34    HB3  LEU   4           HB1      LEU   4  49.523  12.735 -11.257
   35    HG   LEU   4           HG       LEU   4  50.876  14.757 -13.157
   36   HD11  LEU   4          HD11      LEU   4  51.658  14.068 -10.241
   37   HD12  LEU   4          HD12      LEU   4  50.957  15.630 -10.815
   38   HD13  LEU   4          HD13      LEU   4  52.593  15.118 -11.375
   39   HD21  LEU   4          HD21      LEU   4  51.746  11.979 -12.093
   40   HD22  LEU   4          HD22      LEU   4  52.902  13.154 -12.828
   41   HD23  LEU   4          HD23      LEU   4  51.541  12.503 -13.809
   42    H    SER   5           HN       SER   5  46.237  13.061 -14.435
   43    HA   SER   5           HA       SER   5  44.816  12.131 -12.097
   44    HB2  SER   5           HB2      SER   5  43.837  12.841 -14.937
   45    HB3  SER   5           HB1      SER   5  42.739  12.327 -13.589
   46    HG   SER   5           HG       SER   5  44.510  14.551 -13.589
   47    H    LYS   6           HN       LYS   6  45.759  10.797 -15.342
   48    HA   LYS   6           HA       LYS   6  44.290   8.322 -14.848
   49    HB2  LYS   6           HB2      LYS   6  46.202   9.177 -17.113
   50    HB3  LYS   6           HB1      LYS   6  45.377   7.573 -17.036
   51    HG2  LYS   6           HG2      LYS   6  43.135   8.784 -17.015
   52    HG3  LYS   6           HG1      LYS   6  44.014  10.340 -17.232
   53    HD2  LYS   6           HD2      LYS   6  44.964   9.516 -19.398
   54    HD3  LYS   6           HD1      LYS   6  44.143   7.938 -19.167
   55    HE2  LYS   6           HE2      LYS   6  42.797   9.226 -20.752
   56    HE3  LYS   6           HE1      LYS   6  41.880   9.211 -19.193
   57    HZ1  LYS   6           HZ1      LYS   6  42.086  11.379 -20.426
   58    HZ2  LYS   6           HZ2      LYS   6  43.714  11.423 -19.945
   59    HZ3  LYS   6           HZ3      LYS   6  42.485  11.406 -18.775
   60    H    PHE   7           HN       PHE   7  47.367   9.673 -14.029
   61    HA   PHE   7           HA       PHE   7  49.004   7.343 -14.082
   62    HB2  PHE   7           HB2      PHE   7  49.112  10.134 -12.827
   63    HB3  PHE   7           HB1      PHE   7  50.303   8.894 -12.270
   64    HD1  PHE   7           HD1      PHE   7  49.055  10.651 -15.406
   65    HD2  PHE   7           HD2      PHE   7  52.285   8.574 -13.513
   66    HE1  PHE   7           HE1      PHE   7  50.530  11.216 -17.262
   67    HE2  PHE   7           HE2      PHE   7  53.728   9.160 -15.389
   68    HZ   PHE   7           HZ       PHE   7  52.860  10.475 -17.261
   69    H    PHE   8           HN       PHE   8  46.832   8.974 -11.864
   70    HA   PHE   8           HA       PHE   8  47.690   7.413  -9.599
   71    HB2  PHE   8           HB2      PHE   8  46.552  10.034 -10.239
   72    HB3  PHE   8           HB1      PHE   8  45.508   9.182  -9.045
   73    HD1  PHE   8           HD1      PHE   8  49.218   9.150  -9.590
   74    HD2  PHE   8           HD2      PHE   8  46.021  10.142  -6.913
   75    HE1  PHE   8           HE1      PHE   8  50.823   9.992  -7.991
   76    HE2  PHE   8           HE2      PHE   8  47.672  10.932  -5.269
   77    HZ   PHE   8           HZ       PHE   8  50.074  10.866  -5.799
   78    H    ARG   9           HN       ARG   9  45.381   7.374 -12.072
   79    HA   ARG   9           HA       ARG   9  43.443   5.922 -10.536
   80    HB2  ARG   9           HB2      ARG   9  42.956   7.520 -12.485
   81    HB3  ARG   9           HB1      ARG   9  43.806   6.383 -13.577
   82    HG2  ARG   9           HG2      ARG   9  42.119   4.654 -13.158
   83    HG3  ARG   9           HG1      ARG   9  41.313   5.683 -11.929
   84    HD2  ARG   9           HD2      ARG   9  39.994   5.928 -13.940
   85    HD3  ARG   9           HD1      ARG   9  41.000   7.439 -13.824
   86    HE   ARG   9           HE       ARG   9  42.433   5.460 -15.386
   87   HH11  ARG   9          HH11      ARG   9  39.578   7.652 -15.637
   88   HH12  ARG   9          HH12      ARG   9  39.665   7.778 -17.362
   89   HH21  ARG   9          HH21      ARG   9  42.505   5.668 -17.708
   90   HH22  ARG   9          HH22      ARG   9  41.343   6.641 -18.546
   91    H    ASP  10           HN       ASP  10  46.239   5.361 -12.687
   92    HA   ASP  10           HA       ASP  10  45.585   2.518 -12.710
   93    HB2  ASP  10           HB2      ASP  10  48.023   4.041 -13.842
   94    HB3  ASP  10           HB1      ASP  10  47.773   2.265 -14.032
   95    H    PHE  11           HN       PHE  11  47.630   4.719 -10.791
   96    HA   PHE  11           HA       PHE  11  49.111   2.505  -9.816
   97    HB2  PHE  11           HB2      PHE  11  50.772   3.997  -9.506
   98    HB3  PHE  11           HB1      PHE  11  49.637   5.296  -9.978
   99    HD1  PHE  11           HD1      PHE  11  50.798   3.362  -6.875
  100    HD2  PHE  11           HD2      PHE  11  48.924   6.762  -8.566
  101    HE1  PHE  11           HE1      PHE  11  50.489   4.347  -4.656
  102    HE2  PHE  11           HE2      PHE  11  48.653   7.713  -6.410
  103    HZ   PHE  11           HZ       PHE  11  49.365   6.543  -4.427
  104    H    ILE  12           HN       ILE  12  46.581   4.538  -8.386
  105    HA   ILE  12           HA       ILE  12  46.826   3.363  -5.845
  106    HB   ILE  12           HB       ILE  12  44.647   4.794  -7.348
  107   HG12  ILE  12          HG12      ILE  12  46.475   5.629  -5.043
  108   HG13  ILE  12          HG11      ILE  12  46.738   5.887  -6.800
  109   HG21  ILE  12          HG21      ILE  12  44.551   3.755  -4.391
  110   HG22  ILE  12          HG22      ILE  12  43.342   3.440  -5.690
  111   HG23  ILE  12          HG23      ILE  12  43.486   5.082  -4.984
  112   HD11  ILE  12          HD11      ILE  12  45.903   7.898  -5.725
  113   HD12  ILE  12          HD12      ILE  12  44.398   7.043  -5.216
  114   HD13  ILE  12          HD13      ILE  12  44.742   7.281  -6.981
  115    H    LEU  13           HN       LEU  13  45.038   2.529  -8.782
  116    HA   LEU  13           HA       LEU  13  43.208   0.786  -7.466
  117    HB2  LEU  13           HB2      LEU  13  44.006   1.437 -10.288
  118    HB3  LEU  13           HB1      LEU  13  42.837   0.105  -9.991
  119    HG   LEU  13           HG       LEU  13  41.881   2.363 -10.591
  120   HD11  LEU  13          HD11      LEU  13  40.498   0.569  -9.500
  121   HD12  LEU  13          HD12      LEU  13  39.902   2.233  -9.148
  122   HD13  LEU  13          HD13      LEU  13  40.826   1.324  -7.893
  123   HD21  LEU  13          HD21      LEU  13  41.690   4.269  -9.141
  124   HD22  LEU  13          HD22      LEU  13  43.439   3.828  -9.121
  125   HD23  LEU  13          HD23      LEU  13  42.377   3.392  -7.724
  126    H    GLN  14           HN       GLN  14  46.319   0.191  -9.212
  127    HA   GLN  14           HA       GLN  14  45.943  -2.654  -9.255
  128    HB2  GLN  14           HB2      GLN  14  48.475  -0.962  -9.685
  129    HB3  GLN  14           HB1      GLN  14  48.427  -2.758  -9.883
  130    HG2  GLN  14           HG2      GLN  14  46.609  -2.471 -11.659
  131    HG3  GLN  14           HG1      GLN  14  46.803  -0.681 -11.514
  132   HE21  GLN  14          HE21      GLN  14  48.948   0.295 -12.175
  133   HE22  GLN  14          HE22      GLN  14  49.992  -0.567 -13.254
  134    H    ARG  15           HN       ARG  15  46.820  -0.593  -6.559
  135    HA   ARG  15           HA       ARG  15  48.496  -2.653  -5.329
  136    HB2  ARG  15           HB2      ARG  15  47.665   0.130  -4.377
  137    HB3  ARG  15           HB1      ARG  15  48.672  -1.013  -3.404
  138    HG2  ARG  15           HG2      ARG  15  50.308  -1.098  -5.389
  139    HG3  ARG  15           HG1      ARG  15  49.360   0.238  -6.130
  140    HD2  ARG  15           HD2      ARG  15  49.796   1.653  -4.063
  141    HD3  ARG  15           HD1      ARG  15  50.823   0.296  -3.415
  142    HE   ARG  15           HE       ARG  15  51.739   0.962  -6.072
  143   HH11  ARG  15          HH11      ARG  15  51.679   2.378  -2.753
  144   HH12  ARG  15          HH12      ARG  15  53.089   3.352  -3.003
  145   HH21  ARG  15          HH21      ARG  15  53.629   2.307  -6.358
  146   HH22  ARG  15          HH22      ARG  15  54.203   3.311  -5.069
  147    H    LYS  16           HN       LYS  16  45.225  -2.208  -5.765
  148    HA   LYS  16           HA       LYS  16  44.495  -3.220  -3.099
  149    HB2  LYS  16           HB2      LYS  16  42.795  -1.884  -5.270
  150    HB3  LYS  16           HB1      LYS  16  42.161  -2.558  -3.716
  151    HG2  LYS  16           HG2      LYS  16  43.646  -0.951  -2.442
  152    HG3  LYS  16           HG1      LYS  16  44.200  -0.249  -4.004
  153    HD2  LYS  16           HD2      LYS  16  41.837   0.359  -4.552
  154    HD3  LYS  16           HD1      LYS  16  41.316  -0.328  -2.974
  155    HE2  LYS  16           HE2      LYS  16  42.693   1.391  -1.751
  156    HE3  LYS  16           HE1      LYS  16  43.256   2.071  -3.333
  157    HZ1  LYS  16           HZ1      LYS  16  41.371   3.159  -3.579
  158    HZ2  LYS  16           HZ2      LYS  16  41.082   2.853  -1.934
  159    HZ3  LYS  16           HZ3      LYS  16  40.395   1.848  -3.118
  160    H    LYS  17           HN       LYS  17  45.111  -4.007  -6.423
  161    HA   LYS  17           HA       LYS  17  43.249  -6.245  -6.394
  162    HB2  LYS  17           HB2      LYS  17  44.993  -4.947  -8.571
  163    HB3  LYS  17           HB1      LYS  17  44.054  -6.463  -8.845
  164    HG2  LYS  17           HG2      LYS  17  41.925  -5.302  -8.427
  165    HG3  LYS  17           HG1      LYS  17  42.774  -3.794  -7.950
  166    HD2  LYS  17           HD2      LYS  17  43.724  -3.592 -10.249
  167    HD3  LYS  17           HD1      LYS  17  42.874  -5.100 -10.746
  168    HE2  LYS  17           HE2      LYS  17  40.642  -3.984 -10.301
  169    HE3  LYS  17           HE1      LYS  17  41.505  -2.472  -9.803
  170    HZ1  LYS  17           HZ1      LYS  17  40.642  -2.694 -12.171
  171    HZ2  LYS  17           HZ2      LYS  17  41.974  -3.709 -12.450
  172    HZ3  LYS  17           HZ3      LYS  17  42.219  -2.107 -11.945
  Start of MODEL    9
    1    H1   GLU   1           HT1      GLU   1  46.881  20.877 -16.965
    2    H2   GLU   1           HT2      GLU   1  47.190  20.969 -15.297
    3    H3   GLU   1           HT3      GLU   1  47.589  19.562 -16.158
    4    HA   GLU   1           HA       GLU   1  48.857  21.574 -17.484
    5    HB2  GLU   1           HB2      GLU   1  48.956  21.933 -14.427
    6    HB3  GLU   1           HB1      GLU   1  50.384  22.389 -15.429
    7    HG2  GLU   1           HG2      GLU   1  48.950  23.992 -16.768
    8    HG3  GLU   1           HG1      GLU   1  47.521  23.559 -15.748
    9    H    MET   2           HN       MET   2  49.526  19.537 -14.491
   10    HA   MET   2           HA       MET   2  52.021  18.614 -15.513
   11    HB2  MET   2           HB2      MET   2  50.231  17.605 -13.208
   12    HB3  MET   2           HB1      MET   2  51.856  16.918 -13.571
   13    HG2  MET   2           HG2      MET   2  52.852  19.235 -13.248
   14    HG3  MET   2           HG1      MET   2  51.235  19.828 -12.755
   15    HE1  MET   2           HE1      MET   2  50.510  18.462  -9.308
   16    HE2  MET   2           HE2      MET   2  49.852  17.834 -10.857
   17    HE3  MET   2           HE3      MET   2  50.129  19.598 -10.648
   18    H    ARG   3           HN       ARG   3  48.653  17.260 -15.383
   19    HA   ARG   3           HA       ARG   3  47.649  15.557 -16.312
   20    HB2  ARG   3           HB2      ARG   3  48.589  16.788 -18.449
   21    HB3  ARG   3           HB1      ARG   3  49.745  15.426 -18.576
   22    HG2  ARG   3           HG2      ARG   3  47.834  13.807 -18.754
   23    HG3  ARG   3           HG1      ARG   3  46.658  15.157 -18.562
   24    HD2  ARG   3           HD2      ARG   3  47.616  16.212 -20.714
   25    HD3  ARG   3           HD1      ARG   3  48.627  14.711 -20.925
   26    HE   ARG   3           HE       ARG   3  45.928  13.848 -20.538
   27   HH11  ARG   3          HH11      ARG   3  47.783  15.772 -22.965
   28   HH12  ARG   3          HH12      ARG   3  46.750  15.341 -24.287
   29   HH21  ARG   3          HH21      ARG   3  44.566  13.304 -22.358
   30   HH22  ARG   3          HH22      ARG   3  44.907  13.929 -23.937
   31    H    LEU   4           HN       LEU   4  48.192  14.249 -14.402
   32    HA   LEU   4           HA       LEU   4  49.675  11.869 -15.162
   33    HB2  LEU   4           HB2      LEU   4  51.060  13.830 -13.679
   34    HB3  LEU   4           HB1      LEU   4  50.349  12.843 -12.368
   35    HG   LEU   4           HG       LEU   4  51.375  10.778 -13.712
   36   HD11  LEU   4          HD11      LEU   4  52.095  11.950 -15.772
   37   HD12  LEU   4          HD12      LEU   4  53.533  11.297 -14.908
   38   HD13  LEU   4          HD13      LEU   4  53.147  13.057 -14.811
   39   HD21  LEU   4          HD21      LEU   4  52.084  11.472 -11.421
   40   HD22  LEU   4          HD22      LEU   4  53.214  12.687 -12.128
   41   HD23  LEU   4          HD23      LEU   4  53.490  10.926 -12.408
   42    H    SER   5           HN       SER   5  46.800  12.824 -14.648
   43    HA   SER   5           HA       SER   5  46.131  11.559 -12.129
   44    HB2  SER   5           HB2      SER   5  44.347  12.829 -14.312
   45    HB3  SER   5           HB1      SER   5  43.731  12.174 -12.738
   46    HG   SER   5           HG       SER   5  45.854  13.969 -12.647
   47    H    LYS   6           HN       LYS   6  46.339  10.581 -15.540
   48    HA   LYS   6           HA       LYS   6  44.455   8.372 -15.193
   49    HB2  LYS   6           HB2      LYS   6  46.319   9.139 -17.532
   50    HB3  LYS   6           HB1      LYS   6  45.159   7.756 -17.558
   51    HG2  LYS   6           HG2      LYS   6  43.250   9.364 -17.208
   52    HG3  LYS   6           HG1      LYS   6  44.410  10.739 -17.225
   53    HD2  LYS   6           HD2      LYS   6  45.089  10.130 -19.566
   54    HD3  LYS   6           HD1      LYS   6  43.923   8.760 -19.541
   55    HE2  LYS   6           HE2      LYS   6  42.007  10.386 -19.278
   56    HE3  LYS   6           HE1      LYS   6  43.182  11.767 -19.291
   57    HZ1  LYS   6           HZ1      LYS   6  43.658  10.110 -21.514
   58    HZ2  LYS   6           HZ2      LYS   6  43.130  11.723 -21.464
   59    HZ3  LYS   6           HZ3      LYS   6  41.998  10.457 -21.445
   60    H    PHE   7           HN       PHE   7  47.824   9.062 -14.649
   61    HA   PHE   7           HA       PHE   7  48.939   6.458 -15.041
   62    HB2  PHE   7           HB2      PHE   7  49.781   9.068 -13.661
   63    HB3  PHE   7           HB1      PHE   7  50.757   7.573 -13.379
   64    HD1  PHE   7           HD1      PHE   7  49.479   9.844 -16.143
   65    HD2  PHE   7           HD2      PHE   7  52.430   6.989 -14.949
   66    HE1  PHE   7           HE1      PHE   7  50.762  10.308 -18.161
   67    HE2  PHE   7           HE2      PHE   7  53.686   7.475 -16.983
   68    HZ   PHE   7           HZ       PHE   7  52.860   9.127 -18.587
   69    H    PHE   8           HN       PHE   8  47.368   8.320 -12.562
   70    HA   PHE   8           HA       PHE   8  48.134   6.543 -10.433
   71    HB2  PHE   8           HB2      PHE   8  47.430   9.352 -10.905
   72    HB3  PHE   8           HB1      PHE   8  46.345   8.646  -9.645
   73    HD1  PHE   8           HD1      PHE   8  49.931   8.000 -10.524
   74    HD2  PHE   8           HD2      PHE   8  47.198   9.386  -7.528
   75    HE1  PHE   8           HE1      PHE   8  51.787   8.465  -9.057
   76    HE2  PHE   8           HE2      PHE   8  49.100   9.796  -6.020
   77    HZ   PHE   8           HZ       PHE   8  51.396   9.341  -6.775
   78    H    ARG   9           HN       ARG   9  45.655   6.989 -12.712
   79    HA   ARG   9           HA       ARG   9  43.654   5.760 -11.068
   80    HB2  ARG   9           HB2      ARG   9  43.389   7.454 -13.134
   81    HB3  ARG   9           HB1      ARG   9  43.650   5.998 -14.146
   82    HG2  ARG   9           HG2      ARG   9  41.713   5.050 -12.458
   83    HG3  ARG   9           HG1      ARG   9  41.316   6.803 -12.417
   84    HD2  ARG   9           HD2      ARG   9  41.611   5.115 -14.986
   85    HD3  ARG   9           HD1      ARG   9  40.032   5.501 -14.174
   86    HE   ARG   9           HE       ARG   9  41.307   8.006 -14.594
   87   HH11  ARG   9          HH11      ARG   9  40.164   5.303 -16.700
   88   HH12  ARG   9          HH12      ARG   9  39.843   6.329 -18.057
   89   HH21  ARG   9          HH21      ARG   9  40.860   9.334 -16.464
   90   HH22  ARG   9          HH22      ARG   9  40.243   8.633 -17.921
   91    H    ASP  10           HN       ASP  10  46.272   4.857 -13.335
   92    HA   ASP  10           HA       ASP  10  45.074   2.202 -13.475
   93    HB2  ASP  10           HB2      ASP  10  47.677   3.312 -14.721
   94    HB3  ASP  10           HB1      ASP  10  47.080   1.629 -14.972
   95    H    PHE  11           HN       PHE  11  47.573   3.933 -11.640
   96    HA   PHE  11           HA       PHE  11  48.740   1.478 -10.832
   97    HB2  PHE  11           HB2      PHE  11  50.629   2.690 -10.604
   98    HB3  PHE  11           HB1      PHE  11  49.677   4.163 -10.960
   99    HD1  PHE  11           HD1      PHE  11  50.745   1.965  -8.001
  100    HD2  PHE  11           HD2      PHE  11  49.280   5.661  -9.465
  101    HE1  PHE  11           HE1      PHE  11  50.737   2.904  -5.740
  102    HE2  PHE  11           HE2      PHE  11  49.302   6.562  -7.277
  103    HZ   PHE  11           HZ       PHE  11  49.963   5.233  -5.377
  104    H    ILE  12           HN       ILE  12  46.651   3.825  -9.185
  105    HA   ILE  12           HA       ILE  12  46.858   2.533  -6.695
  106    HB   ILE  12           HB       ILE  12  44.843   4.337  -8.017
  107   HG12  ILE  12          HG12      ILE  12  46.906   4.807  -5.811
  108   HG13  ILE  12          HG11      ILE  12  47.117   5.065  -7.576
  109   HG21  ILE  12          HG21      ILE  12  44.781   3.232  -5.078
  110   HG22  ILE  12          HG22      ILE  12  43.454   3.132  -6.295
  111   HG23  ILE  12          HG23      ILE  12  43.886   4.716  -5.575
  112   HD11  ILE  12          HD11      ILE  12  46.659   7.156  -6.462
  113   HD12  ILE  12          HD12      ILE  12  45.093   6.529  -5.823
  114   HD13  ILE  12          HD13      ILE  12  45.316   6.734  -7.612
  115    H    LEU  13           HN       LEU  13  44.791   2.101  -9.543
  116    HA   LEU  13           HA       LEU  13  42.806   0.586  -8.164
  117    HB2  LEU  13           HB2      LEU  13  43.522   1.243 -11.011
  118    HB3  LEU  13           HB1      LEU  13  42.186   0.086 -10.683
  119    HG   LEU  13           HG       LEU  13  41.531   2.480 -11.134
  120   HD11  LEU  13          HD11      LEU  13  40.530   1.566  -8.371
  121   HD12  LEU  13          HD12      LEU  13  40.014   0.825  -9.935
  122   HD13  LEU  13          HD13      LEU  13  39.651   2.557  -9.595
  123   HD21  LEU  13          HD21      LEU  13  43.405   3.632  -9.748
  124   HD22  LEU  13          HD22      LEU  13  42.385   3.313  -8.288
  125   HD23  LEU  13          HD23      LEU  13  41.746   4.334  -9.627
  126    H    GLN  14           HN       GLN  14  45.644  -0.324 -10.196
  127    HA   GLN  14           HA       GLN  14  44.989  -3.076 -10.346
  128    HB2  GLN  14           HB2      GLN  14  47.667  -1.612 -10.668
  129    HB3  GLN  14           HB1      GLN  14  47.503  -3.397 -10.897
  130    HG2  GLN  14           HG2      GLN  14  45.883  -3.063 -12.757
  131    HG3  GLN  14           HG1      GLN  14  45.887  -1.279 -12.476
  132   HE21  GLN  14          HE21      GLN  14  46.655  -0.983 -14.765
  133   HE22  GLN  14          HE22      GLN  14  48.318  -1.247 -15.160
  134    H    ARG  15           HN       ARG  15  46.928  -1.212  -7.907
  135    HA   ARG  15           HA       ARG  15  47.936  -3.519  -6.589
  136    HB2  ARG  15           HB2      ARG  15  47.613  -0.635  -5.651
  137    HB3  ARG  15           HB1      ARG  15  48.384  -1.924  -4.650
  138    HG2  ARG  15           HG2      ARG  15  50.040  -2.303  -6.585
  139    HG3  ARG  15           HG1      ARG  15  49.341  -0.843  -7.375
  140    HD2  ARG  15           HD2      ARG  15  49.927   0.507  -5.291
  141    HD3  ARG  15           HD1      ARG  15  50.728  -0.984  -4.625
  142    HE   ARG  15           HE       ARG  15  51.793  -0.463  -7.260
  143   HH11  ARG  15          HH11      ARG  15  51.868   0.940  -3.935
  144   HH12  ARG  15          HH12      ARG  15  53.402   1.714  -4.155
  145   HH21  ARG  15          HH21      ARG  15  53.853   0.618  -7.506
  146   HH22  ARG  15          HH22      ARG  15  54.535   1.529  -6.201
  147    H    LYS  16           HN       LYS  16  45.097  -1.450  -6.164
  148    HA   LYS  16           HA       LYS  16  43.139  -1.652  -5.308
  149    HB2  LYS  16           HB2      LYS  16  43.905  -4.445  -4.380
  150    HB3  LYS  16           HB1      LYS  16  42.292  -3.699  -4.117
  151    HG2  LYS  16           HG2      LYS  16  42.079  -3.416  -6.643
  152    HG3  LYS  16           HG1      LYS  16  43.626  -4.322  -6.827
  153    HD2  LYS  16           HD2      LYS  16  42.604  -6.278  -5.640
  154    HD3  LYS  16           HD1      LYS  16  41.072  -5.352  -5.475
  155    HE2  LYS  16           HE2      LYS  16  40.830  -5.281  -7.987
  156    HE3  LYS  16           HE1      LYS  16  42.381  -6.204  -8.160
  157    HZ1  LYS  16           HZ1      LYS  16  40.179  -7.276  -6.509
  158    HZ2  LYS  16           HZ2      LYS  16  41.426  -8.088  -7.326
  159    HZ3  LYS  16           HZ3      LYS  16  40.134  -7.418  -8.200
  160    H    LYS  17           HN       LYS  17  45.939  -1.057  -3.999
  161    HA   LYS  17           HA       LYS  17  44.891  -0.707  -1.314
  162    HB2  LYS  17           HB2      LYS  17  47.768  -1.090  -2.344
  163    HB3  LYS  17           HB1      LYS  17  47.376  -0.639  -0.642
  164    HG2  LYS  17           HG2      LYS  17  46.214  -2.767  -0.265
  165    HG3  LYS  17           HG1      LYS  17  46.343  -3.221  -1.999
  166    HD2  LYS  17           HD2      LYS  17  48.820  -3.271  -1.816
  167    HD3  LYS  17           HD1      LYS  17  48.721  -2.817  -0.075
  168    HE2  LYS  17           HE2      LYS  17  47.479  -4.965   0.419
  169    HE3  LYS  17           HE1      LYS  17  47.564  -5.415  -1.335
  170    HZ1  LYS  17           HZ1      LYS  17  50.103  -4.722  -0.130
  171    HZ2  LYS  17           HZ2      LYS  17  49.666  -6.027  -1.125
  172    HZ3  LYS  17           HZ3      LYS  17  49.352  -6.090   0.543
  Start of MODEL   10
    1    H1   GLU   1           HT1      GLU   1  52.301  22.296 -18.680
    2    H2   GLU   1           HT2      GLU   1  51.702  23.596 -17.765
    3    H3   GLU   1           HT3      GLU   1  51.282  23.447 -19.404
    4    HA   GLU   1           HA       GLU   1  50.162  22.213 -17.081
    5    HB2  GLU   1           HB2      GLU   1  49.268  22.770 -19.986
    6    HB3  GLU   1           HB1      GLU   1  48.234  21.793 -18.877
    7    HG2  GLU   1           HG2      GLU   1  48.125  23.727 -17.248
    8    HG3  GLU   1           HG1      GLU   1  49.152  24.719 -18.357
    9    H    MET   2           HN       MET   2  50.444  20.114 -16.466
   10    HA   MET   2           HA       MET   2  50.729  18.080 -18.585
   11    HB2  MET   2           HB2      MET   2  52.276  18.221 -15.903
   12    HB3  MET   2           HB1      MET   2  52.247  16.778 -16.981
   13    HG2  MET   2           HG2      MET   2  53.323  18.113 -18.802
   14    HG3  MET   2           HG1      MET   2  53.353  19.556 -17.735
   15    HE1  MET   2           HE1      MET   2  57.114  18.560 -18.078
   16    HE2  MET   2           HE2      MET   2  55.865  19.840 -18.263
   17    HE3  MET   2           HE3      MET   2  55.813  18.375 -19.304
   18    H    ARG   3           HN       ARG   3  49.880  15.951 -17.960
   19    HA   ARG   3           HA       ARG   3  47.844  16.153 -15.822
   20    HB2  ARG   3           HB2      ARG   3  47.873  14.390 -18.367
   21    HB3  ARG   3           HB1      ARG   3  46.614  14.324 -17.078
   22    HG2  ARG   3           HG2      ARG   3  46.004  16.721 -17.571
   23    HG3  ARG   3           HG1      ARG   3  47.235  16.755 -18.884
   24    HD2  ARG   3           HD2      ARG   3  45.980  14.885 -20.081
   25    HD3  ARG   3           HD1      ARG   3  44.711  14.944 -18.775
   26    HE   ARG   3           HE       ARG   3  45.093  17.614 -19.821
   27   HH11  ARG   3          HH11      ARG   3  43.736  14.424 -20.826
   28   HH12  ARG   3          HH12      ARG   3  42.619  15.110 -21.958
   29   HH21  ARG   3          HH21      ARG   3  43.567  18.484 -21.367
   30   HH22  ARG   3          HH22      ARG   3  42.525  17.436 -22.267
   31    H    LEU   4           HN       LEU   4  47.697  14.416 -14.316
   32    HA   LEU   4           HA       LEU   4  49.467  12.157 -14.631
   33    HB2  LEU   4           HB2      LEU   4  50.597  14.341 -13.315
   34    HB3  LEU   4           HB1      LEU   4  49.759  13.559 -11.942
   35    HG   LEU   4           HG       LEU   4  50.995  11.349 -12.727
   36   HD11  LEU   4          HD11      LEU   4  51.879  12.074 -14.915
   37   HD12  LEU   4          HD12      LEU   4  53.256  11.729 -13.808
   38   HD13  LEU   4          HD13      LEU   4  52.778  13.436 -14.147
   39   HD21  LEU   4          HD21      LEU   4  52.982  11.866 -11.316
   40   HD22  LEU   4          HD22      LEU   4  51.473  12.524 -10.583
   41   HD23  LEU   4          HD23      LEU   4  52.620  13.632 -11.428
   42    H    SER   5           HN       SER   5  46.472  13.103 -14.355
   43    HA   SER   5           HA       SER   5  45.715  11.854 -11.848
   44    HB2  SER   5           HB2      SER   5  44.008  13.031 -14.142
   45    HB3  SER   5           HB1      SER   5  43.328  12.373 -12.596
   46    HG   SER   5           HG       SER   5  45.372  14.278 -12.484
   47    H    LYS   6           HN       LYS   6  46.080  10.912 -15.251
   48    HA   LYS   6           HA       LYS   6  44.336   8.579 -14.986
   49    HB2  LYS   6           HB2      LYS   6  46.189   9.523 -17.269
   50    HB3  LYS   6           HB1      LYS   6  45.098   8.087 -17.353
   51    HG2  LYS   6           HG2      LYS   6  43.106   9.586 -16.984
   52    HG3  LYS   6           HG1      LYS   6  44.195  11.018 -16.926
   53    HD2  LYS   6           HD2      LYS   6  44.938  10.538 -19.278
   54    HD3  LYS   6           HD1      LYS   6  43.835   9.117 -19.329
   55    HE2  LYS   6           HE2      LYS   6  41.844  10.643 -19.022
   56    HE3  LYS   6           HE1      LYS   6  42.954  12.074 -18.955
   57    HZ1  LYS   6           HZ1      LYS   6  42.361  10.277 -21.233
   58    HZ2  LYS   6           HZ2      LYS   6  43.745  11.262 -21.207
   59    HZ3  LYS   6           HZ3      LYS   6  42.201  11.963 -21.117
   60    H    PHE   7           HN       PHE   7  47.626   9.500 -14.349
   61    HA   PHE   7           HA       PHE   7  48.936   6.983 -14.735
   62    HB2  PHE   7           HB2      PHE   7  49.554   9.655 -13.363
   63    HB3  PHE   7           HB1      PHE   7  50.613   8.239 -13.004
   64    HD1  PHE   7           HD1      PHE   7  49.266  10.263 -15.946
   65    HD2  PHE   7           HD2      PHE   7  52.459   7.863 -14.402
   66    HE1  PHE   7           HE1      PHE   7  50.628  10.794 -17.892
   67    HE2  PHE   7           HE2      PHE   7  53.790   8.417 -16.368
   68    HZ   PHE   7           HZ       PHE   7  52.884   9.877 -18.111
   69    H    PHE   8           HN       PHE   8  47.175   8.720 -12.297
   70    HA   PHE   8           HA       PHE   8  48.036   7.033 -10.132
   71    HB2  PHE   8           HB2      PHE   8  47.098   9.765 -10.653
   72    HB3  PHE   8           HB1      PHE   8  46.073   8.984  -9.395
   73    HD1  PHE   8           HD1      PHE   8  49.713   8.601 -10.206
   74    HD2  PHE   8           HD2      PHE   8  46.827   9.895  -7.312
   75    HE1  PHE   8           HE1      PHE   8  51.501   9.251  -8.722
   76    HE2  PHE   8           HE2      PHE   8  48.663  10.491  -5.787
   77    HZ   PHE   8           HZ       PHE   8  51.001  10.177  -6.483
   78    H    ARG   9           HN       ARG   9  45.598   7.243 -12.459
   79    HA   ARG   9           HA       ARG   9  43.652   5.893 -10.835
   80    HB2  ARG   9           HB2      ARG   9  43.099   7.605 -12.631
   81    HB3  ARG   9           HB1      ARG   9  43.852   6.535 -13.854
   82    HG2  ARG   9           HG2      ARG   9  42.136   4.865 -13.560
   83    HG3  ARG   9           HG1      ARG   9  41.441   5.725 -12.139
   84    HD2  ARG   9           HD2      ARG   9  40.814   7.657 -13.586
   85    HD3  ARG   9           HD1      ARG   9  41.556   6.827 -15.028
   86    HE   ARG   9           HE       ARG   9  39.660   5.002 -13.905
   87   HH11  ARG   9          HH11      ARG   9  39.631   8.256 -15.467
   88   HH12  ARG   9          HH12      ARG   9  38.026   8.084 -16.094
   89   HH21  ARG   9          HH21      ARG   9  37.500   4.823 -14.772
   90   HH22  ARG   9          HH22      ARG   9  36.805   6.113 -15.693
   91    H    ASP  10           HN       ASP  10  46.358   5.208 -13.071
   92    HA   ASP  10           HA       ASP  10  45.443   2.444 -13.245
   93    HB2  ASP  10           HB2      ASP  10  48.038   3.774 -14.270
   94    HB3  ASP  10           HB1      ASP  10  47.584   2.059 -14.590
   95    H    PHE  11           HN       PHE  11  47.724   4.375 -11.309
   96    HA   PHE  11           HA       PHE  11  49.005   2.035 -10.358
   97    HB2  PHE  11           HB2      PHE  11  50.786   3.385 -10.120
   98    HB3  PHE  11           HB1      PHE  11  49.743   4.779 -10.539
   99    HD1  PHE  11           HD1      PHE  11  50.843   2.710  -7.495
  100    HD2  PHE  11           HD2      PHE  11  49.221   6.282  -9.097
  101    HE1  PHE  11           HE1      PHE  11  50.703   3.701  -5.262
  102    HE2  PHE  11           HE2      PHE  11  49.116   7.232  -6.930
  103    HZ   PHE  11           HZ       PHE  11  49.788   5.984  -4.981
  104    H    ILE  12           HN       ILE  12  46.693   4.290  -8.870
  105    HA   ILE  12           HA       ILE  12  46.876   3.101  -6.331
  106    HB   ILE  12           HB       ILE  12  44.823   4.751  -7.785
  107   HG12  ILE  12          HG12      ILE  12  46.760   5.345  -5.490
  108   HG13  ILE  12          HG11      ILE  12  47.040   5.592  -7.245
  109   HG21  ILE  12          HG21      ILE  12  44.640   3.659  -4.851
  110   HG22  ILE  12          HG22      ILE  12  43.382   3.549  -6.140
  111   HG23  ILE  12          HG23      ILE  12  43.745   5.132  -5.381
  112   HD11  ILE  12          HD11      ILE  12  44.873   6.995  -5.617
  113   HD12  ILE  12          HD12      ILE  12  45.207   7.205  -7.384
  114   HD13  ILE  12          HD13      ILE  12  46.459   7.671  -6.144
  115    H    LEU  13           HN       LEU  13  45.012   2.386  -9.244
  116    HA   LEU  13           HA       LEU  13  43.042   0.809  -7.922
  117    HB2  LEU  13           HB2      LEU  13  43.971   1.321 -10.737
  118    HB3  LEU  13           HB1      LEU  13  42.698   0.083 -10.443
  119    HG   LEU  13           HG       LEU  13  41.980   2.442 -11.104
  120   HD11  LEU  13          HD11      LEU  13  39.915   2.466  -9.706
  121   HD12  LEU  13          HD12      LEU  13  40.681   1.278  -8.590
  122   HD13  LEU  13          HD13      LEU  13  40.345   0.818 -10.297
  123   HD21  LEU  13          HD21      LEU  13  41.798   4.319  -9.595
  124   HD22  LEU  13          HD22      LEU  13  43.517   3.780  -9.505
  125   HD23  LEU  13          HD23      LEU  13  42.360   3.359  -8.176
  126    H    GLN  14           HN       GLN  14  46.243   0.040  -9.273
  127    HA   GLN  14           HA       GLN  14  45.789  -2.822  -9.260
  128    HB2  GLN  14           HB2      GLN  14  48.350  -1.139  -9.554
  129    HB3  GLN  14           HB1      GLN  14  48.349  -2.945  -9.597
  130    HG2  GLN  14           HG2      GLN  14  46.813  -2.907 -11.594
  131    HG3  GLN  14           HG1      GLN  14  46.814  -1.104 -11.569
  132   HE21  GLN  14          HE21      GLN  14  48.955   0.037 -11.987
  133   HE22  GLN  14          HE22      GLN  14  50.192  -0.774 -12.886
  134    H    ARG  15           HN       ARG  15  46.453  -0.517  -6.711
  135    HA   ARG  15           HA       ARG  15  47.826  -2.555  -5.086
  136    HB2  ARG  15           HB2      ARG  15  47.523   0.464  -4.665
  137    HB3  ARG  15           HB1      ARG  15  48.327  -0.665  -3.504
  138    HG2  ARG  15           HG2      ARG  15  49.895  -1.356  -5.441
  139    HG3  ARG  15           HG1      ARG  15  49.201   0.015  -6.378
  140    HD2  ARG  15           HD2      ARG  15  49.906   1.595  -4.519
  141    HD3  ARG  15           HD1      ARG  15  50.683   0.176  -3.682
  142    HE   ARG  15           HE       ARG  15  51.653   0.319  -6.409
  143   HH11  ARG  15          HH11      ARG  15  51.942   2.080  -3.274
  144   HH12  ARG  15          HH12      ARG  15  53.514   2.715  -3.627
  145   HH21  ARG  15          HH21      ARG  15  53.769   1.213  -6.839
  146   HH22  ARG  15          HH22      ARG  15  54.558   2.218  -5.671
  147    H    LYS  16           HN       LYS  16  44.833  -2.521  -5.813
  148    HA   LYS  16           HA       LYS  16  43.662  -2.052  -3.155
  149    HB2  LYS  16           HB2      LYS  16  42.360  -2.567  -5.878
  150    HB3  LYS  16           HB1      LYS  16  41.451  -2.451  -4.321
  151    HG2  LYS  16           HG2      LYS  16  42.533  -0.116  -4.007
  152    HG3  LYS  16           HG1      LYS  16  43.115  -0.262  -5.703
  153    HD2  LYS  16           HD2      LYS  16  40.779  -0.526  -6.501
  154    HD3  LYS  16           HD1      LYS  16  40.193  -0.451  -4.802
  155    HE2  LYS  16           HE2      LYS  16  41.059   1.919  -4.607
  156    HE3  LYS  16           HE1      LYS  16  41.635   1.842  -6.323
  157    HZ1  LYS  16           HZ1      LYS  16  39.634   2.394  -6.967
  158    HZ2  LYS  16           HZ2      LYS  16  39.107   2.502  -5.357
  159    HZ3  LYS  16           HZ3      LYS  16  38.942   1.042  -6.208
  160    H    LYS  17           HN       LYS  17  45.291  -4.419  -4.855
  161    HA   LYS  17           HA       LYS  17  45.629  -6.534  -4.664
  162    HB2  LYS  17           HB2      LYS  17  43.706  -6.760  -2.254
  163    HB3  LYS  17           HB1      LYS  17  44.971  -7.941  -2.727
  164    HG2  LYS  17           HG2      LYS  17  45.529  -5.050  -1.779
  165    HG3  LYS  17           HG1      LYS  17  45.536  -6.494  -0.721
  166    HD2  LYS  17           HD2      LYS  17  47.425  -7.469  -2.127
  167    HD3  LYS  17           HD1      LYS  17  47.449  -5.956  -3.099
  168    HE2  LYS  17           HE2      LYS  17  48.022  -4.624  -1.035
  169    HE3  LYS  17           HE1      LYS  17  47.998  -6.145  -0.051
  170    HZ1  LYS  17           HZ1      LYS  17  49.702  -5.960  -2.451
  171    HZ2  LYS  17           HZ2      LYS  17  49.891  -6.893  -1.045
  172    HZ3  LYS  17           HZ3      LYS  17  50.190  -5.222  -1.002
  Start of MODEL   11
    1    H1   GLU   1           HT1      GLU   1  48.882  19.982 -18.729
    2    H2   GLU   1           HT2      GLU   1  48.801  21.666 -18.931
    3    H3   GLU   1           HT3      GLU   1  47.386  20.731 -19.022
    4    HA   GLU   1           HA       GLU   1  49.084  21.124 -16.648
    5    HB2  GLU   1           HB2      GLU   1  47.519  23.073 -17.501
    6    HB3  GLU   1           HB1      GLU   1  46.140  22.011 -17.050
    7    HG2  GLU   1           HG2      GLU   1  46.990  21.977 -14.637
    8    HG3  GLU   1           HG1      GLU   1  48.327  23.096 -15.116
    9    H    MET   2           HN       MET   2  49.114  19.343 -15.307
   10    HA   MET   2           HA       MET   2  48.541  17.547 -14.193
   11    HB2  MET   2           HB2      MET   2  45.578  18.284 -14.718
   12    HB3  MET   2           HB1      MET   2  46.124  16.996 -13.589
   13    HG2  MET   2           HG2      MET   2  47.302  18.674 -12.187
   14    HG3  MET   2           HG1      MET   2  46.889  19.975 -13.342
   15    HE1  MET   2           HE1      MET   2  44.754  16.919 -11.644
   16    HE2  MET   2           HE2      MET   2  44.145  17.862 -10.239
   17    HE3  MET   2           HE3      MET   2  45.914  17.669 -10.492
   18    H    ARG   3           HN       ARG   3  49.681  16.553 -16.109
   19    HA   ARG   3           HA       ARG   3  47.885  14.877 -17.758
   20    HB2  ARG   3           HB2      ARG   3  50.823  15.749 -18.150
   21    HB3  ARG   3           HB1      ARG   3  49.981  14.571 -19.224
   22    HG2  ARG   3           HG2      ARG   3  48.319  16.332 -19.865
   23    HG3  ARG   3           HG1      ARG   3  49.141  17.513 -18.784
   24    HD2  ARG   3           HD2      ARG   3  51.260  17.308 -20.163
   25    HD3  ARG   3           HD1      ARG   3  50.407  16.141 -21.273
   26    HE   ARG   3           HE       ARG   3  48.761  18.468 -21.134
   27   HH11  ARG   3          HH11      ARG   3  52.108  17.656 -22.230
   28   HH12  ARG   3          HH12      ARG   3  52.139  18.879 -23.456
   29   HH21  ARG   3          HH21      ARG   3  48.868  20.098 -22.808
   30   HH22  ARG   3          HH22      ARG   3  50.287  20.276 -23.786
   31    H    LEU   4           HN       LEU   4  49.532  14.716 -14.844
   32    HA   LEU   4           HA       LEU   4  50.574  12.000 -15.337
   33    HB2  LEU   4           HB2      LEU   4  51.236  14.121 -13.204
   34    HB3  LEU   4           HB1      LEU   4  51.807  12.419 -13.071
   35    HG   LEU   4           HG       LEU   4  52.458  14.200 -15.510
   36   HD11  LEU   4          HD11      LEU   4  54.187  13.812 -12.975
   37   HD12  LEU   4          HD12      LEU   4  53.353  15.332 -13.486
   38   HD13  LEU   4          HD13      LEU   4  54.691  14.658 -14.491
   39   HD21  LEU   4          HD21      LEU   4  52.825  11.868 -16.074
   40   HD22  LEU   4          HD22      LEU   4  53.605  11.511 -14.489
   41   HD23  LEU   4          HD23      LEU   4  54.455  12.540 -15.708
   42    H    SER   5           HN       SER   5  47.674  13.158 -14.704
   43    HA   SER   5           HA       SER   5  47.140  11.863 -12.166
   44    HB2  SER   5           HB2      SER   5  45.230  13.167 -14.230
   45    HB3  SER   5           HB1      SER   5  44.719  12.517 -12.615
   46    HG   SER   5           HG       SER   5  46.753  14.454 -12.963
   47    H    LYS   6           HN       LYS   6  47.350  10.934 -15.526
   48    HA   LYS   6           HA       LYS   6  45.392   8.797 -15.371
   49    HB2  LYS   6           HB2      LYS   6  47.519   9.496 -17.492
   50    HB3  LYS   6           HB1      LYS   6  46.262   8.213 -17.673
   51    HG2  LYS   6           HG2      LYS   6  44.458   9.954 -17.471
   52    HG3  LYS   6           HG1      LYS   6  45.711  11.232 -17.298
   53    HD2  LYS   6           HD2      LYS   6  46.603  10.652 -19.583
   54    HD3  LYS   6           HD1      LYS   6  45.331   9.394 -19.744
   55    HE2  LYS   6           HE2      LYS   6  44.610  11.409 -20.977
   56    HE3  LYS   6           HE1      LYS   6  43.551  11.238 -19.520
   57    HZ1  LYS   6           HZ1      LYS   6  44.228  13.483 -19.779
   58    HZ2  LYS   6           HZ2      LYS   6  45.874  13.074 -19.860
   59    HZ3  LYS   6           HZ3      LYS   6  45.016  12.856 -18.411
   60    H    PHE   7           HN       PHE   7  48.769   9.332 -14.596
   61    HA   PHE   7           HA       PHE   7  49.710   6.641 -14.894
   62    HB2  PHE   7           HB2      PHE   7  50.734   9.240 -13.615
   63    HB3  PHE   7           HB1      PHE   7  51.567   7.685 -13.209
   64    HD1  PHE   7           HD1      PHE   7  50.553   9.850 -16.166
   65    HD2  PHE   7           HD2      PHE   7  53.235   6.869 -14.668
   66    HE1  PHE   7           HE1      PHE   7  51.902  10.021 -18.193
   67    HE2  PHE   7           HE2      PHE   7  54.562   7.073 -16.706
   68    HZ   PHE   7           HZ       PHE   7  53.903   8.642 -18.465
   69    H    PHE   8           HN       PHE   8  48.183   8.668 -12.546
   70    HA   PHE   8           HA       PHE   8  48.766   6.928 -10.334
   71    HB2  PHE   8           HB2      PHE   8  48.205   9.748 -10.924
   72    HB3  PHE   8           HB1      PHE   8  47.048   9.126  -9.681
   73    HD1  PHE   8           HD1      PHE   8  50.631   8.310 -10.429
   74    HD2  PHE   8           HD2      PHE   8  47.855   9.876  -7.563
   75    HE1  PHE   8           HE1      PHE   8  52.456   8.744  -8.915
   76    HE2  PHE   8           HE2      PHE   8  49.722  10.253  -6.001
   77    HZ   PHE   8           HZ       PHE   8  52.024   9.695  -6.670
   78    H    ARG   9           HN       ARG   9  46.439   7.392 -12.746
   79    HA   ARG   9           HA       ARG   9  44.298   6.341 -11.155
   80    HB2  ARG   9           HB2      ARG   9  44.326   7.942 -13.399
   81    HB3  ARG   9           HB1      ARG   9  44.384   6.367 -14.240
   82    HG2  ARG   9           HG2      ARG   9  42.126   6.685 -14.198
   83    HG3  ARG   9           HG1      ARG   9  42.317   5.793 -12.649
   84    HD2  ARG   9           HD2      ARG   9  42.408   8.095 -11.440
   85    HD3  ARG   9           HD1      ARG   9  42.006   8.860 -13.033
   86    HE   ARG   9           HE       ARG   9  39.800   7.898 -12.952
   87   HH11  ARG   9          HH11      ARG   9  41.672   7.053  -9.961
   88   HH12  ARG   9          HH12      ARG   9  40.299   6.371  -9.153
   89   HH21  ARG   9          HH21      ARG   9  38.008   6.963 -11.795
   90   HH22  ARG   9          HH22      ARG   9  38.215   6.323 -10.199
   91    H    ASP  10           HN       ASP  10  46.963   5.264 -13.212
   92    HA   ASP  10           HA       ASP  10  45.670   2.662 -13.425
   93    HB2  ASP  10           HB2      ASP  10  48.445   3.626 -14.408
   94    HB3  ASP  10           HB1      ASP  10  47.784   1.973 -14.713
   95    H    PHE  11           HN       PHE  11  48.282   4.271 -11.594
   96    HA   PHE  11           HA       PHE  11  49.257   1.830 -10.593
   97    HB2  PHE  11           HB2      PHE  11  51.175   2.974 -10.377
   98    HB3  PHE  11           HB1      PHE  11  50.287   4.471 -10.799
   99    HD1  PHE  11           HD1      PHE  11  51.232   2.323  -7.774
  100    HD2  PHE  11           HD2      PHE  11  49.895   6.020  -9.356
  101    HE1  PHE  11           HE1      PHE  11  51.216   3.329  -5.544
  102    HE2  PHE  11           HE2      PHE  11  49.908   6.974  -7.186
  103    HZ   PHE  11           HZ       PHE  11  50.512   5.676  -5.247
  104    H    ILE  12           HN       ILE  12  47.192   4.297  -9.107
  105    HA   ILE  12           HA       ILE  12  47.244   3.060  -6.579
  106    HB   ILE  12           HB       ILE  12  45.391   4.967  -7.989
  107   HG12  ILE  12          HG12      ILE  12  47.467   5.298  -5.770
  108   HG13  ILE  12          HG11      ILE  12  47.667   5.574  -7.533
  109   HG21  ILE  12          HG21      ILE  12  45.164   3.927  -5.036
  110   HG22  ILE  12          HG22      ILE  12  43.871   3.895  -6.294
  111   HG23  ILE  12          HG23      ILE  12  44.390   5.460  -5.588
  112   HD11  ILE  12          HD11      ILE  12  47.385   7.663  -6.322
  113   HD12  ILE  12          HD12      ILE  12  45.750   7.143  -5.752
  114   HD13  ILE  12          HD13      ILE  12  46.053   7.385  -7.526
  115    H    LEU  13           HN       LEU  13  45.357   2.608  -9.539
  116    HA   LEU  13           HA       LEU  13  43.254   1.193  -8.223
  117    HB2  LEU  13           HB2      LEU  13  44.100   1.779 -11.035
  118    HB3  LEU  13           HB1      LEU  13  42.700   0.686 -10.736
  119    HG   LEU  13           HG       LEU  13  42.163   3.090 -11.215
  120   HD11  LEU  13          HD11      LEU  13  41.062   2.217  -8.479
  121   HD12  LEU  13          HD12      LEU  13  40.503   1.582 -10.076
  122   HD13  LEU  13          HD13      LEU  13  40.274   3.324  -9.668
  123   HD21  LEU  13          HD21      LEU  13  42.976   3.950  -8.373
  124   HD22  LEU  13          HD22      LEU  13  42.446   4.961  -9.760
  125   HD23  LEU  13          HD23      LEU  13  44.060   4.175  -9.803
  126    H    GLN  14           HN       GLN  14  46.370   0.215  -9.378
  127    HA   GLN  14           HA       GLN  14  45.668  -2.610  -9.616
  128    HB2  GLN  14           HB2      GLN  14  48.367  -1.117  -9.684
  129    HB3  GLN  14           HB1      GLN  14  48.248  -2.917  -9.779
  130    HG2  GLN  14           HG2      GLN  14  46.977  -2.800 -11.888
  131    HG3  GLN  14           HG1      GLN  14  46.867  -1.007 -11.797
  132   HE21  GLN  14          HE21      GLN  14  48.884   0.290 -12.176
  133   HE22  GLN  14          HE22      GLN  14  50.269  -0.421 -12.927
  134    H    ARG  15           HN       ARG  15  46.164  -0.466  -7.004
  135    HA   ARG  15           HA       ARG  15  47.209  -2.572  -5.231
  136    HB2  ARG  15           HB2      ARG  15  47.305   0.488  -4.976
  137    HB3  ARG  15           HB1      ARG  15  47.816  -0.661  -3.676
  138    HG2  ARG  15           HG2      ARG  15  49.450  -1.704  -5.311
  139    HG3  ARG  15           HG1      ARG  15  49.035  -0.411  -6.497
  140    HD2  ARG  15           HD2      ARG  15  49.783   1.330  -4.819
  141    HD3  ARG  15           HD1      ARG  15  50.268  -0.021  -3.697
  142    HE   ARG  15           HE       ARG  15  51.484  -0.428  -6.305
  143   HH11  ARG  15          HH11      ARG  15  51.800   1.668  -3.375
  144   HH12  ARG  15          HH12      ARG  15  53.472   2.019  -3.659
  145   HH21  ARG  15          HH21      ARG  15  53.726   0.093  -6.634
  146   HH22  ARG  15          HH22      ARG  15  54.575   1.117  -5.527
  147    H    LYS  16           HN       LYS  16  44.371  -2.324  -6.240
  148    HA   LYS  16           HA       LYS  16  42.981  -1.432  -3.804
  149    HB2  LYS  16           HB2      LYS  16  42.052  -1.923  -6.702
  150    HB3  LYS  16           HB1      LYS  16  40.877  -1.784  -5.349
  151    HG2  LYS  16           HG2      LYS  16  42.940   0.433  -5.861
  152    HG3  LYS  16           HG1      LYS  16  41.444   0.327  -6.839
  153    HD2  LYS  16           HD2      LYS  16  40.058   0.465  -4.750
  154    HD3  LYS  16           HD1      LYS  16  41.553   0.562  -3.754
  155    HE2  LYS  16           HE2      LYS  16  42.173   2.733  -4.848
  156    HE3  LYS  16           HE1      LYS  16  40.709   2.631  -5.913
  157    HZ1  LYS  16           HZ1      LYS  16  39.809   3.811  -4.287
  158    HZ2  LYS  16           HZ2      LYS  16  40.955   3.357  -3.122
  159    HZ3  LYS  16           HZ3      LYS  16  39.650   2.330  -3.473
  160    H    LYS  17           HN       LYS  17  44.292  -3.467  -3.067
  161    HA   LYS  17           HA       LYS  17  43.233  -5.977  -3.860
  162    HB2  LYS  17           HB2      LYS  17  44.888  -5.108  -1.406
  163    HB3  LYS  17           HB1      LYS  17  44.537  -6.827  -1.832
  164    HG2  LYS  17           HG2      LYS  17  45.735  -6.559  -4.003
  165    HG3  LYS  17           HG1      LYS  17  46.062  -4.827  -3.634
  166    HD2  LYS  17           HD2      LYS  17  47.375  -5.491  -1.625
  167    HD3  LYS  17           HD1      LYS  17  47.054  -7.230  -1.968
  168    HE2  LYS  17           HE2      LYS  17  48.302  -7.017  -4.164
  169    HE3  LYS  17           HE1      LYS  17  48.626  -5.271  -3.800
  170    HZ1  LYS  17           HZ1      LYS  17  49.378  -7.306  -1.814
  171    HZ2  LYS  17           HZ2      LYS  17  50.092  -5.807  -2.182
  172    HZ3  LYS  17           HZ3      LYS  17  50.320  -7.133  -3.216
  Start of MODEL   12
    1    H1   GLU   1           HT1      GLU   1  51.908  19.731 -20.440
    2    H2   GLU   1           HT2      GLU   1  50.973  20.623 -21.542
    3    H3   GLU   1           HT3      GLU   1  51.490  19.056 -21.942
    4    HA   GLU   1           HA       GLU   1  49.105  19.743 -20.884
    5    HB2  GLU   1           HB2      GLU   1  50.630  17.050 -20.945
    6    HB3  GLU   1           HB1      GLU   1  48.909  17.151 -20.409
    7    HG2  GLU   1           HG2      GLU   1  48.233  18.081 -22.651
    8    HG3  GLU   1           HG1      GLU   1  49.953  18.033 -23.203
    9    H    MET   2           HN       MET   2  51.471  17.672 -19.008
   10    HA   MET   2           HA       MET   2  51.902  17.407 -16.890
   11    HB2  MET   2           HB2      MET   2  51.037  20.343 -16.470
   12    HB3  MET   2           HB1      MET   2  51.889  19.342 -15.240
   13    HG2  MET   2           HG2      MET   2  53.837  19.089 -16.797
   14    HG3  MET   2           HG1      MET   2  52.993  20.100 -18.017
   15    HE1  MET   2           HE1      MET   2  55.899  20.615 -17.075
   16    HE2  MET   2           HE2      MET   2  55.906  22.403 -16.894
   17    HE3  MET   2           HE3      MET   2  55.013  21.644 -18.256
   18    H    ARG   3           HN       ARG   3  49.982  15.866 -17.140
   19    HA   ARG   3           HA       ARG   3  47.952  16.550 -15.095
   20    HB2  ARG   3           HB2      ARG   3  47.639  14.766 -17.607
   21    HB3  ARG   3           HB1      ARG   3  46.419  14.887 -16.284
   22    HG2  ARG   3           HG2      ARG   3  46.153  17.347 -16.774
   23    HG3  ARG   3           HG1      ARG   3  47.342  17.198 -18.118
   24    HD2  ARG   3           HD2      ARG   3  45.803  15.553 -19.291
   25    HD3  ARG   3           HD1      ARG   3  44.596  15.750 -17.942
   26    HE   ARG   3           HE       ARG   3  45.286  18.366 -18.967
   27   HH11  ARG   3          HH11      ARG   3  43.492  15.396 -19.958
   28   HH12  ARG   3          HH12      ARG   3  42.431  16.240 -21.035
   29   HH21  ARG   3          HH21      ARG   3  43.829  19.453 -20.439
   30   HH22  ARG   3          HH22      ARG   3  42.626  18.563 -21.310
   31    H    LEU   4           HN       LEU   4  48.000  15.208 -13.321
   32    HA   LEU   4           HA       LEU   4  49.446  12.657 -13.613
   33    HB2  LEU   4           HB2      LEU   4  49.467  14.629 -11.241
   34    HB3  LEU   4           HB1      LEU   4  50.123  12.959 -11.139
   35    HG   LEU   4           HG       LEU   4  51.178  15.103 -13.098
   36   HD11  LEU   4          HD11      LEU   4  52.341  14.281 -10.350
   37   HD12  LEU   4          HD12      LEU   4  51.541  15.851 -10.744
   38   HD13  LEU   4          HD13      LEU   4  53.102  15.414 -11.535
   39   HD21  LEU   4          HD21      LEU   4  53.281  13.520 -13.063
   40   HD22  LEU   4          HD22      LEU   4  51.845  12.960 -13.990
   41   HD23  LEU   4          HD23      LEU   4  52.184  12.273 -12.356
   42    H    SER   5           HN       SER   5  46.433  13.607 -13.721
   43    HA   SER   5           HA       SER   5  45.375  12.323 -11.347
   44    HB2  SER   5           HB2      SER   5  43.962  13.488 -13.840
   45    HB3  SER   5           HB1      SER   5  43.097  12.809 -12.400
   46    HG   SER   5           HG       SER   5  45.067  14.801 -12.114
   47    H    LYS   6           HN       LYS   6  46.128  11.469 -14.718
   48    HA   LYS   6           HA       LYS   6  44.482   9.056 -14.649
   49    HB2  LYS   6           HB2      LYS   6  46.439  10.165 -16.762
   50    HB3  LYS   6           HB1      LYS   6  45.464   8.658 -16.961
   51    HG2  LYS   6           HG2      LYS   6  43.347  10.004 -16.697
   52    HG3  LYS   6           HG1      LYS   6  44.325  11.504 -16.537
   53    HD2  LYS   6           HD2      LYS   6  45.249  11.143 -18.842
   54    HD3  LYS   6           HD1      LYS   6  44.264   9.644 -18.996
   55    HE2  LYS   6           HE2      LYS   6  42.146  11.007 -18.783
   56    HE3  LYS   6           HE1      LYS   6  43.135  12.515 -18.616
   57    HZ1  LYS   6           HZ1      LYS   6  42.354  11.100 -20.944
   58    HZ2  LYS   6           HZ2      LYS   6  44.046  11.238 -20.885
   59    HZ3  LYS   6           HZ3      LYS   6  43.078  12.629 -20.787
   60    H    PHE   7           HN       PHE   7  47.652  10.096 -13.680
   61    HA   PHE   7           HA       PHE   7  49.124   7.671 -14.045
   62    HB2  PHE   7           HB2      PHE   7  49.455  10.299 -12.521
   63    HB3  PHE   7           HB1      PHE   7  50.492   8.913 -12.014
   64    HD1  PHE   7           HD1      PHE   7  49.528  10.886 -15.140
   65    HD2  PHE   7           HD2      PHE   7  52.550   8.646 -13.092
   66    HE1  PHE   7           HE1      PHE   7  51.151  11.464 -16.862
   67    HE2  PHE   7           HE2      PHE   7  54.142   9.248 -14.835
   68    HZ   PHE   7           HZ       PHE   7  53.453  10.651 -16.717
   69    H    PHE   8           HN       PHE   8  47.024   9.160 -11.716
   70    HA   PHE   8           HA       PHE   8  47.731   7.370  -9.580
   71    HB2  PHE   8           HB2      PHE   8  46.709  10.085 -10.036
   72    HB3  PHE   8           HB1      PHE   8  45.589   9.173  -8.959
   73    HD1  PHE   8           HD1      PHE   8  49.312   9.033  -9.363
   74    HD2  PHE   8           HD2      PHE   8  46.047   9.954  -6.741
   75    HE1  PHE   8           HE1      PHE   8  50.880   9.660  -7.639
   76    HE2  PHE   8           HE2      PHE   8  47.660  10.529  -4.976
   77    HZ   PHE   8           HZ       PHE   8  50.077  10.388  -5.415
   78    H    ARG   9           HN       ARG   9  45.544   7.633 -12.145
   79    HA   ARG   9           HA       ARG   9  43.503   6.087 -10.850
   80    HB2  ARG   9           HB2      ARG   9  43.239   7.903 -12.712
   81    HB3  ARG   9           HB1      ARG   9  43.961   6.716 -13.842
   82    HG2  ARG   9           HG2      ARG   9  42.097   5.131 -13.327
   83    HG3  ARG   9           HG1      ARG   9  41.368   6.357 -12.236
   84    HD2  ARG   9           HD2      ARG   9  41.900   6.761 -15.246
   85    HD3  ARG   9           HD1      ARG   9  40.295   6.310 -14.526
   86    HE   ARG   9           HE       ARG   9  41.083   8.663 -13.164
   87   HH11  ARG   9          HH11      ARG   9  40.453   7.784 -16.612
   88   HH12  ARG   9          HH12      ARG   9  39.982   9.388 -17.065
   89   HH21  ARG   9          HH21      ARG   9  40.452  10.806 -13.843
   90   HH22  ARG   9          HH22      ARG   9  39.984  11.115 -15.481
   91    H    ASP  10           HN       ASP  10  46.474   5.647 -12.781
   92    HA   ASP  10           HA       ASP  10  45.715   2.868 -13.215
   93    HB2  ASP  10           HB2      ASP  10  48.346   4.363 -13.856
   94    HB3  ASP  10           HB1      ASP  10  48.008   2.655 -14.328
   95    H    PHE  11           HN       PHE  11  47.765   4.790 -10.989
   96    HA   PHE  11           HA       PHE  11  49.059   2.478 -10.014
   97    HB2  PHE  11           HB2      PHE  11  50.700   3.921  -9.484
   98    HB3  PHE  11           HB1      PHE  11  49.609   5.271  -9.927
   99    HD1  PHE  11           HD1      PHE  11  50.522   3.066  -6.912
  100    HD2  PHE  11           HD2      PHE  11  48.818   6.621  -8.460
  101    HE1  PHE  11           HE1      PHE  11  50.055   3.882  -4.652
  102    HE2  PHE  11           HE2      PHE  11  48.398   7.403  -6.269
  103    HZ   PHE  11           HZ       PHE  11  48.937   6.071  -4.336
  104    H    ILE  12           HN       ILE  12  46.452   4.467  -8.642
  105    HA   ILE  12           HA       ILE  12  46.431   3.094  -6.195
  106    HB   ILE  12           HB       ILE  12  44.427   4.695  -7.771
  107   HG12  ILE  12          HG12      ILE  12  46.035   5.298  -5.239
  108   HG13  ILE  12          HG11      ILE  12  46.498   5.666  -6.935
  109   HG21  ILE  12          HG21      ILE  12  44.047   3.442  -4.915
  110   HG22  ILE  12          HG22      ILE  12  42.955   3.240  -6.336
  111   HG23  ILE  12          HG23      ILE  12  43.056   4.827  -5.508
  112   HD11  ILE  12          HD11      ILE  12  45.609   7.633  -5.846
  113   HD12  ILE  12          HD12      ILE  12  44.047   6.796  -5.505
  114   HD13  ILE  12          HD13      ILE  12  44.537   7.120  -7.221
  115    H    LEU  13           HN       LEU  13  44.974   2.509  -9.367
  116    HA   LEU  13           HA       LEU  13  43.064   0.620  -8.384
  117    HB2  LEU  13           HB2      LEU  13  44.081   1.579 -11.041
  118    HB3  LEU  13           HB1      LEU  13  42.923   0.205 -10.984
  119    HG   LEU  13           HG       LEU  13  41.967   2.498 -11.410
  120   HD11  LEU  13          HD11      LEU  13  40.550   0.566 -10.620
  121   HD12  LEU  13          HD12      LEU  13  39.879   2.180 -10.182
  122   HD13  LEU  13          HD13      LEU  13  40.714   1.183  -8.931
  123   HD21  LEU  13          HD21      LEU  13  43.367   3.827  -9.683
  124   HD22  LEU  13          HD22      LEU  13  42.211   3.226  -8.426
  125   HD23  LEU  13          HD23      LEU  13  41.611   4.233  -9.790
  126    H    GLN  14           HN       GLN  14  46.429   0.368  -9.336
  127    HA   GLN  14           HA       GLN  14  46.315  -2.511  -9.784
  128    HB2  GLN  14           HB2      GLN  14  48.619  -0.487  -9.636
  129    HB3  GLN  14           HB1      GLN  14  48.940  -2.262  -9.700
  130    HG2  GLN  14           HG2      GLN  14  47.744  -2.431 -11.893
  131    HG3  GLN  14           HG1      GLN  14  47.363  -0.671 -11.849
  132   HE21  GLN  14          HE21      GLN  14  49.266   0.902 -11.910
  133   HE22  GLN  14          HE22      GLN  14  50.751   0.405 -12.647
  134    H    ARG  15           HN       ARG  15  46.358  -0.507  -6.938
  135    HA   ARG  15           HA       ARG  15  47.763  -2.568  -5.370
  136    HB2  ARG  15           HB2      ARG  15  47.103   0.347  -4.702
  137    HB3  ARG  15           HB1      ARG  15  47.851  -0.825  -3.548
  138    HG2  ARG  15           HG2      ARG  15  49.724  -1.183  -5.287
  139    HG3  ARG  15           HG1      ARG  15  49.029   0.202  -6.202
  140    HD2  ARG  15           HD2      ARG  15  49.332   1.667  -4.159
  141    HD3  ARG  15           HD1      ARG  15  50.108   0.252  -3.317
  142    HE   ARG  15           HE       ARG  15  51.431   0.690  -5.858
  143   HH11  ARG  15          HH11      ARG  15  51.124   2.217  -2.605
  144   HH12  ARG  15          HH12      ARG  15  52.673   2.989  -2.679
  145   HH21  ARG  15          HH21      ARG  15  53.507   1.762  -5.909
  146   HH22  ARG  15          HH22      ARG  15  54.036   2.728  -4.572
  147    H    LYS  16           HN       LYS  16  44.942  -2.829  -6.469
  148    HA   LYS  16           HA       LYS  16  43.290  -2.599  -4.058
  149    HB2  LYS  16           HB2      LYS  16  42.607  -3.581  -6.907
  150    HB3  LYS  16           HB1      LYS  16  41.423  -3.424  -5.563
  151    HG2  LYS  16           HG2      LYS  16  43.061  -0.991  -6.507
  152    HG3  LYS  16           HG1      LYS  16  41.630  -1.533  -7.427
  153    HD2  LYS  16           HD2      LYS  16  41.453  -0.932  -4.403
  154    HD3  LYS  16           HD1      LYS  16  41.377   0.373  -5.633
  155    HE2  LYS  16           HE2      LYS  16  39.381  -0.773  -6.712
  156    HE3  LYS  16           HE1      LYS  16  39.440  -2.044  -5.423
  157    HZ1  LYS  16           HZ1      LYS  16  37.874  -0.107  -5.130
  158    HZ2  LYS  16           HZ2      LYS  16  39.238   0.845  -4.789
  159    HZ3  LYS  16           HZ3      LYS  16  38.873  -0.496  -3.814
  160    H    LYS  17           HN       LYS  17  45.461  -4.767  -5.593
  161    HA   LYS  17           HA       LYS  17  45.966  -6.870  -5.509
  162    HB2  LYS  17           HB2      LYS  17  44.708  -6.588  -2.722
  163    HB3  LYS  17           HB1      LYS  17  45.421  -8.148  -3.250
  164    HG2  LYS  17           HG2      LYS  17  47.548  -7.442  -2.886
  165    HG3  LYS  17           HG1      LYS  17  47.302  -5.922  -3.811
  166    HD2  LYS  17           HD2      LYS  17  46.276  -4.842  -1.822
  167    HD3  LYS  17           HD1      LYS  17  46.441  -6.367  -0.874
  168    HE2  LYS  17           HE2      LYS  17  48.966  -6.216  -1.103
  169    HE3  LYS  17           HE1      LYS  17  48.774  -4.664  -2.021
  170    HZ1  LYS  17           HZ1      LYS  17  48.121  -5.241   0.814
  171    HZ2  LYS  17           HZ2      LYS  17  47.510  -3.880   0.001
  172    HZ3  LYS  17           HZ3      LYS  17  49.186  -4.085   0.170
  Start of MODEL   13
    1    H1   GLU   1           HT1      GLU   1  55.143  19.159 -14.782
    2    H2   GLU   1           HT2      GLU   1  53.798  20.156 -14.497
    3    H3   GLU   1           HT3      GLU   1  54.001  19.418 -16.013
    4    HA   GLU   1           HA       GLU   1  53.600  17.293 -15.172
    5    HB2  GLU   1           HB2      GLU   1  53.717  18.697 -12.418
    6    HB3  GLU   1           HB1      GLU   1  52.950  17.078 -12.609
    7    HG2  GLU   1           HG2      GLU   1  55.123  16.118 -13.460
    8    HG3  GLU   1           HG1      GLU   1  55.909  17.737 -13.295
    9    H    MET   2           HN       MET   2  51.803  17.728 -16.587
   10    HA   MET   2           HA       MET   2  49.336  18.461 -15.151
   11    HB2  MET   2           HB2      MET   2  50.155  19.407 -17.988
   12    HB3  MET   2           HB1      MET   2  48.501  19.584 -17.298
   13    HG2  MET   2           HG2      MET   2  49.410  21.062 -15.494
   14    HG3  MET   2           HG1      MET   2  51.062  20.880 -16.170
   15    HE1  MET   2           HE1      MET   2  49.761  23.623 -15.507
   16    HE2  MET   2           HE2      MET   2  50.259  24.597 -16.933
   17    HE3  MET   2           HE3      MET   2  51.398  23.403 -16.219
   18    H    ARG   3           HN       ARG   3  47.432  17.392 -15.955
   19    HA   ARG   3           HA       ARG   3  46.247  15.702 -16.668
   20    HB2  ARG   3           HB2      ARG   3  48.130  15.627 -19.114
   21    HB3  ARG   3           HB1      ARG   3  46.594  14.696 -18.993
   22    HG2  ARG   3           HG2      ARG   3  45.265  16.756 -18.865
   23    HG3  ARG   3           HG1      ARG   3  46.737  17.778 -18.786
   24    HD2  ARG   3           HD2      ARG   3  46.034  15.974 -21.221
   25    HD3  ARG   3           HD1      ARG   3  45.589  17.732 -21.086
   26    HE   ARG   3           HE       ARG   3  48.411  17.507 -20.577
   27   HH11  ARG   3          HH11      ARG   3  46.115  16.993 -23.313
   28   HH12  ARG   3          HH12      ARG   3  47.278  17.386 -24.533
   29   HH21  ARG   3          HH21      ARG   3  49.940  18.028 -22.267
   30   HH22  ARG   3          HH22      ARG   3  49.469  17.978 -23.933
   31    H    LEU   4           HN       LEU   4  47.696  14.914 -14.620
   32    HA   LEU   4           HA       LEU   4  48.754  12.273 -15.390
   33    HB2  LEU   4           HB2      LEU   4  49.512  14.046 -12.981
   34    HB3  LEU   4           HB1      LEU   4  50.082  12.354 -13.204
   35    HG   LEU   4           HG       LEU   4  50.695  14.667 -15.160
   36   HD11  LEU   4          HD11      LEU   4  52.522  13.470 -12.971
   37   HD12  LEU   4          HD12      LEU   4  51.736  15.095 -12.928
   38   HD13  LEU   4          HD13      LEU   4  52.981  14.732 -14.179
   39   HD21  LEU   4          HD21      LEU   4  51.635  11.726 -15.059
   40   HD22  LEU   4          HD22      LEU   4  52.626  13.001 -15.864
   41   HD23  LEU   4          HD23      LEU   4  50.961  12.657 -16.451
   42    H    SER   5           HN       SER   5  45.904  13.311 -14.824
   43    HA   SER   5           HA       SER   5  45.289  12.074 -12.276
   44    HB2  SER   5           HB2      SER   5  43.457  13.321 -14.435
   45    HB3  SER   5           HB1      SER   5  42.878  12.693 -12.837
   46    HG   SER   5           HG       SER   5  44.986  14.540 -12.932
   47    H    LYS   6           HN       LYS   6  45.424  11.134 -15.686
   48    HA   LYS   6           HA       LYS   6  43.614   8.863 -15.351
   49    HB2  LYS   6           HB2      LYS   6  45.437   9.715 -17.692
   50    HB3  LYS   6           HB1      LYS   6  44.269   8.339 -17.737
   51    HG2  LYS   6           HG2      LYS   6  42.371   9.944 -17.336
   52    HG3  LYS   6           HG1      LYS   6  43.537  11.314 -17.313
   53    HD2  LYS   6           HD2      LYS   6  44.210  10.779 -19.669
   54    HD3  LYS   6           HD1      LYS   6  43.036   9.416 -19.690
   55    HE2  LYS   6           HE2      LYS   6  41.132  11.041 -19.365
   56    HE3  LYS   6           HE1      LYS   6  42.313  12.415 -19.323
   57    HZ1  LYS   6           HZ1      LYS   6  42.679  12.259 -21.524
   58    HZ2  LYS   6           HZ2      LYS   6  41.087  11.667 -21.497
   59    HZ3  LYS   6           HZ3      LYS   6  42.392  10.587 -21.614
   60    H    PHE   7           HN       PHE   7  46.955   9.696 -14.900
   61    HA   PHE   7           HA       PHE   7  48.163   7.148 -15.365
   62    HB2  PHE   7           HB2      PHE   7  48.976   9.830 -14.124
   63    HB3  PHE   7           HB1      PHE   7  50.030   8.392 -13.835
   64    HD1  PHE   7           HD1      PHE   7  48.459  10.412 -16.662
   65    HD2  PHE   7           HD2      PHE   7  51.682   7.877 -15.431
   66    HE1  PHE   7           HE1      PHE   7  49.612  10.829 -18.766
   67    HE2  PHE   7           HE2      PHE   7  52.804   8.321 -17.550
   68    HZ   PHE   7           HZ       PHE   7  51.778   9.790 -19.217
   69    H    PHE   8           HN       PHE   8  46.636   8.923 -12.797
   70    HA   PHE   8           HA       PHE   8  47.696   7.247 -10.710
   71    HB2  PHE   8           HB2      PHE   8  46.703   9.969 -11.153
   72    HB3  PHE   8           HB1      PHE   8  45.805   9.189  -9.802
   73    HD1  PHE   8           HD1      PHE   8  49.352   8.866 -10.967
   74    HD2  PHE   8           HD2      PHE   8  46.743  10.062  -7.785
   75    HE1  PHE   8           HE1      PHE   8  51.265   9.551  -9.663
   76    HE2  PHE   8           HE2      PHE   8  48.706  10.691  -6.443
   77    HZ   PHE   8           HZ       PHE   8  50.970  10.445  -7.373
   78    H    ARG   9           HN       ARG   9  45.037   7.436 -12.796
   79    HA   ARG   9           HA       ARG   9  43.213   6.203 -10.976
   80    HB2  ARG   9           HB2      ARG   9  42.829   7.723 -13.213
   81    HB3  ARG   9           HB1      ARG   9  43.044   6.172 -14.065
   82    HG2  ARG   9           HG2      ARG   9  40.769   6.214 -13.873
   83    HG3  ARG   9           HG1      ARG   9  41.182   5.290 -12.391
   84    HD2  ARG   9           HD2      ARG   9  41.140   8.259 -11.917
   85    HD3  ARG   9           HD1      ARG   9  39.559   7.634 -12.533
   86    HE   ARG   9           HE       ARG   9  39.461   6.078 -10.610
   87   HH11  ARG   9          HH11      ARG   9  42.142   8.503 -10.335
   88   HH12  ARG   9          HH12      ARG   9  42.188   8.431  -8.604
   89   HH21  ARG   9          HH21      ARG   9  39.581   6.046  -8.283
   90   HH22  ARG   9          HH22      ARG   9  40.729   7.029  -7.437
   91    H    ASP  10           HN       ASP  10  45.593   5.295 -13.467
   92    HA   ASP  10           HA       ASP  10  44.624   2.551 -13.239
   93    HB2  ASP  10           HB2      ASP  10  46.864   3.827 -14.926
   94    HB3  ASP  10           HB1      ASP  10  46.634   2.040 -14.850
   95    H    PHE  11           HN       PHE  11  47.284   4.567 -11.928
   96    HA   PHE  11           HA       PHE  11  48.703   2.263 -11.126
   97    HB2  PHE  11           HB2      PHE  11  50.484   3.644 -11.168
   98    HB3  PHE  11           HB1      PHE  11  49.370   5.023 -11.408
   99    HD1  PHE  11           HD1      PHE  11  51.018   2.985  -8.608
  100    HD2  PHE  11           HD2      PHE  11  49.012   6.499  -9.872
  101    HE1  PHE  11           HE1      PHE  11  51.221   3.957  -6.369
  102    HE2  PHE  11           HE2      PHE  11  49.232   7.432  -7.702
  103    HZ   PHE  11           HZ       PHE  11  50.273   6.205  -5.910
  104    H    ILE  12           HN       ILE  12  46.612   4.463  -9.291
  105    HA   ILE  12           HA       ILE  12  47.232   3.266  -6.823
  106    HB   ILE  12           HB       ILE  12  44.929   4.867  -7.910
  107   HG12  ILE  12          HG12      ILE  12  47.252   5.528  -6.040
  108   HG13  ILE  12          HG11      ILE  12  47.127   5.805  -7.810
  109   HG21  ILE  12          HG21      ILE  12  45.335   3.871  -4.958
  110   HG22  ILE  12          HG22      ILE  12  43.891   3.579  -5.998
  111   HG23  ILE  12          HG23      ILE  12  44.233   5.230  -5.390
  112   HD11  ILE  12          HD11      ILE  12  46.735   7.837  -6.518
  113   HD12  ILE  12          HD12      ILE  12  45.282   7.091  -5.753
  114   HD13  ILE  12          HD13      ILE  12  45.310   7.369  -7.546
  115    H    LEU  13           HN       LEU  13  44.894   2.601  -9.385
  116    HA   LEU  13           HA       LEU  13  43.252   0.910  -7.775
  117    HB2  LEU  13           HB2      LEU  13  43.524   1.637 -10.679
  118    HB3  LEU  13           HB1      LEU  13  42.358   0.356 -10.195
  119    HG   LEU  13           HG       LEU  13  41.421   2.665 -10.524
  120   HD11  LEU  13          HD11      LEU  13  40.233   0.900  -9.141
  121   HD12  LEU  13          HD12      LEU  13  39.784   2.594  -8.717
  122   HD13  LEU  13          HD13      LEU  13  40.912   1.668  -7.655
  123   HD21  LEU  13          HD21      LEU  13  41.676   4.534  -9.073
  124   HD22  LEU  13          HD22      LEU  13  43.356   3.994  -9.413
  125   HD23  LEU  13          HD23      LEU  13  42.576   3.604  -7.827
  126    H    GLN  14           HN       GLN  14  45.962   0.291 -10.062
  127    HA   GLN  14           HA       GLN  14  45.483  -2.543 -10.129
  128    HB2  GLN  14           HB2      GLN  14  47.886  -0.848 -11.024
  129    HB3  GLN  14           HB1      GLN  14  47.857  -2.647 -11.187
  130    HG2  GLN  14           HG2      GLN  14  45.780  -2.482 -12.625
  131    HG3  GLN  14           HG1      GLN  14  45.840  -0.684 -12.491
  132   HE21  GLN  14          HE21      GLN  14  47.687   0.488 -13.548
  133   HE22  GLN  14          HE22      GLN  14  48.608  -0.278 -14.798
  134    H    ARG  15           HN       ARG  15  46.812  -0.618  -7.545
  135    HA   ARG  15           HA       ARG  15  48.919  -2.321  -6.742
  136    HB2  ARG  15           HB2      ARG  15  47.218  -0.301  -5.252
  137    HB3  ARG  15           HB1      ARG  15  48.477  -1.272  -4.404
  138    HG2  ARG  15           HG2      ARG  15  50.266  -0.305  -5.649
  139    HG3  ARG  15           HG1      ARG  15  49.180   0.330  -6.924
  140    HD2  ARG  15           HD2      ARG  15  49.963   2.170  -5.488
  141    HD3  ARG  15           HD1      ARG  15  48.183   1.923  -5.264
  142    HE   ARG  15           HE       ARG  15  49.745   0.411  -3.291
  143   HH11  ARG  15          HH11      ARG  15  48.490   3.718  -4.035
  144   HH12  ARG  15          HH12      ARG  15  48.440   4.209  -2.374
  145   HH21  ARG  15          HH21      ARG  15  49.645   1.125  -1.077
  146   HH22  ARG  15          HH22      ARG  15  49.103   2.720  -0.683
  147    H    LYS  16           HN       LYS  16  45.460  -2.161  -5.964
  148    HA   LYS  16           HA       LYS  16  43.991  -3.412  -5.005
  149    HB2  LYS  16           HB2      LYS  16  45.821  -5.754  -5.725
  150    HB3  LYS  16           HB1      LYS  16  44.105  -5.915  -5.231
  151    HG2  LYS  16           HG2      LYS  16  45.101  -4.453  -7.767
  152    HG3  LYS  16           HG1      LYS  16  44.513  -6.143  -7.719
  153    HD2  LYS  16           HD2      LYS  16  42.245  -5.305  -6.934
  154    HD3  LYS  16           HD1      LYS  16  42.842  -3.614  -7.062
  155    HE2  LYS  16           HE2      LYS  16  43.229  -3.923  -9.534
  156    HE3  LYS  16           HE1      LYS  16  42.623  -5.626  -9.414
  157    HZ1  LYS  16           HZ1      LYS  16  40.881  -3.576  -8.316
  158    HZ2  LYS  16           HZ2      LYS  16  40.529  -4.930  -9.277
  159    HZ3  LYS  16           HZ3      LYS  16  41.122  -3.508  -9.995
  160    H    LYS  17           HN       LYS  17  45.532  -2.069  -3.379
  161    HA   LYS  17           HA       LYS  17  46.189  -1.726  -1.404
  162    HB2  LYS  17           HB2      LYS  17  44.822  -4.289  -0.367
  163    HB3  LYS  17           HB1      LYS  17  45.249  -2.825   0.583
  164    HG2  LYS  17           HG2      LYS  17  43.096  -2.165   0.251
  165    HG3  LYS  17           HG1      LYS  17  43.609  -1.713  -1.406
  166    HD2  LYS  17           HD2      LYS  17  43.017  -4.344  -1.883
  167    HD3  LYS  17           HD1      LYS  17  41.991  -4.114  -0.428
  168    HE2  LYS  17           HE2      LYS  17  40.822  -2.176  -1.572
  169    HE3  LYS  17           HE1      LYS  17  41.857  -2.436  -3.037
  170    HZ1  LYS  17           HZ1      LYS  17  40.158  -4.575  -1.872
  171    HZ2  LYS  17           HZ2      LYS  17  40.877  -4.500  -3.410
  172    HZ3  LYS  17           HZ3      LYS  17  39.587  -3.465  -3.024
  Start of MODEL   14
    1    H1   GLU   1           HT1      GLU   1  50.272  23.297 -18.872
    2    H2   GLU   1           HT2      GLU   1  51.531  22.804 -19.899
    3    H3   GLU   1           HT3      GLU   1  51.464  22.228 -18.303
    4    HA   GLU   1           HA       GLU   1  49.108  21.435 -19.104
    5    HB2  GLU   1           HB2      GLU   1  50.913  21.490 -21.619
    6    HB3  GLU   1           HB1      GLU   1  49.516  20.359 -21.476
    7    HG2  GLU   1           HG2      GLU   1  47.931  22.308 -21.222
    8    HG3  GLU   1           HG1      GLU   1  49.318  23.460 -21.348
    9    H    MET   2           HN       MET   2  49.452  19.875 -17.507
   10    HA   MET   2           HA       MET   2  51.063  17.590 -18.285
   11    HB2  MET   2           HB2      MET   2  52.606  19.205 -16.882
   12    HB3  MET   2           HB1      MET   2  51.502  18.903 -15.505
   13    HG2  MET   2           HG2      MET   2  52.040  16.459 -15.597
   14    HG3  MET   2           HG1      MET   2  53.105  16.735 -17.014
   15    HE1  MET   2           HE1      MET   2  55.014  15.468 -15.879
   16    HE2  MET   2           HE2      MET   2  53.959  15.162 -14.455
   17    HE3  MET   2           HE3      MET   2  55.631  15.778 -14.219
   18    H    ARG   3           HN       ARG   3  50.091  15.677 -17.507
   19    HA   ARG   3           HA       ARG   3  47.745  16.054 -15.740
   20    HB2  ARG   3           HB2      ARG   3  48.164  13.991 -18.009
   21    HB3  ARG   3           HB1      ARG   3  46.781  13.974 -16.851
   22    HG2  ARG   3           HG2      ARG   3  46.065  16.239 -17.697
   23    HG3  ARG   3           HG1      ARG   3  47.422  16.216 -18.880
   24    HD2  ARG   3           HD2      ARG   3  46.436  14.138 -19.960
   25    HD3  ARG   3           HD1      ARG   3  45.047  14.211 -18.783
   26    HE   ARG   3           HE       ARG   3  45.309  16.778 -20.097
   27   HH11  ARG   3          HH11      ARG   3  44.292  13.390 -20.811
   28   HH12  ARG   3          HH12      ARG   3  43.221  13.844 -22.093
   29   HH21  ARG   3          HH21      ARG   3  43.850  17.333 -21.839
   30   HH22  ARG   3          HH22      ARG   3  42.970  16.102 -22.680
   31    H    LEU   4           HN       LEU   4  47.402  14.394 -14.140
   32    HA   LEU   4           HA       LEU   4  49.404  12.331 -13.875
   33    HB2  LEU   4           HB2      LEU   4  49.842  14.822 -12.533
   34    HB3  LEU   4           HB1      LEU   4  49.113  13.789 -11.267
   35    HG   LEU   4           HG       LEU   4  51.417  12.635 -12.925
   36   HD11  LEU   4          HD11      LEU   4  52.243  14.918 -12.375
   37   HD12  LEU   4          HD12      LEU   4  53.147  13.657 -11.456
   38   HD13  LEU   4          HD13      LEU   4  51.884  14.645 -10.626
   39   HD21  LEU   4          HD21      LEU   4  52.006  11.491 -10.770
   40   HD22  LEU   4          HD22      LEU   4  50.299  11.169 -11.236
   41   HD23  LEU   4          HD23      LEU   4  50.662  12.358  -9.933
   42    H    SER   5           HN       SER   5  46.297  13.068 -14.173
   43    HA   SER   5           HA       SER   5  45.260  11.874 -11.745
   44    HB2  SER   5           HB2      SER   5  43.839  12.822 -14.319
   45    HB3  SER   5           HB1      SER   5  42.981  12.176 -12.859
   46    HG   SER   5           HG       SER   5  44.850  14.214 -12.503
   47    H    LYS   6           HN       LYS   6  45.874  10.874 -15.158
   48    HA   LYS   6           HA       LYS   6  44.393   8.385 -14.837
   49    HB2  LYS   6           HB2      LYS   6  46.223   9.417 -17.095
   50    HB3  LYS   6           HB1      LYS   6  45.319   7.854 -17.146
   51    HG2  LYS   6           HG2      LYS   6  43.148   9.118 -16.913
   52    HG3  LYS   6           HG1      LYS   6  44.059  10.670 -16.910
   53    HD2  LYS   6           HD2      LYS   6  44.937  10.154 -19.205
   54    HD3  LYS   6           HD1      LYS   6  44.023   8.605 -19.202
   55    HE2  LYS   6           HE2      LYS   6  41.848   9.883 -19.047
   56    HE3  LYS   6           HE1      LYS   6  42.771  11.443 -19.042
   57    HZ1  LYS   6           HZ1      LYS   6  43.216   9.508 -21.214
   58    HZ2  LYS   6           HZ2      LYS   6  43.323  11.203 -21.213
   59    HZ3  LYS   6           HZ3      LYS   6  41.802  10.447 -21.213
   60    H    PHE   7           HN       PHE   7  47.543   9.613 -14.107
   61    HA   PHE   7           HA       PHE   7  49.098   7.232 -14.385
   62    HB2  PHE   7           HB2      PHE   7  49.385   9.966 -13.013
   63    HB3  PHE   7           HB1      PHE   7  50.597   8.671 -12.662
   64    HD1  PHE   7           HD1      PHE   7  49.075  10.657 -15.528
   65    HD2  PHE   7           HD2      PHE   7  52.433   8.399 -14.130
   66    HE1  PHE   7           HE1      PHE   7  50.361  11.332 -17.481
   67    HE2  PHE   7           HE2      PHE   7  53.687   9.097 -16.101
   68    HZ   PHE   7           HZ       PHE   7  52.662  10.558 -17.775
   69    H    PHE   8           HN       PHE   8  47.096   8.836 -12.019
   70    HA   PHE   8           HA       PHE   8  48.041   7.242  -9.815
   71    HB2  PHE   8           HB2      PHE   8  46.856   9.869 -10.380
   72    HB3  PHE   8           HB1      PHE   8  45.900   9.001  -9.130
   73    HD1  PHE   8           HD1      PHE   8  49.574   8.927  -9.858
   74    HD2  PHE   8           HD2      PHE   8  46.521  10.060  -7.072
   75    HE1  PHE   8           HE1      PHE   8  51.264   9.778  -8.356
   76    HE2  PHE   8           HE2      PHE   8  48.260  10.854  -5.525
   77    HZ   PHE   8           HZ       PHE   8  50.633  10.721  -6.160
   78    H    ARG   9           HN       ARG   9  45.619   7.283 -12.185
   79    HA   ARG   9           HA       ARG   9  43.737   5.815 -10.623
   80    HB2  ARG   9           HB2      ARG   9  43.099   7.380 -12.492
   81    HB3  ARG   9           HB1      ARG   9  44.064   6.399 -13.638
   82    HG2  ARG   9           HG2      ARG   9  42.537   4.516 -13.404
   83    HG3  ARG   9           HG1      ARG   9  41.605   5.366 -12.122
   84    HD2  ARG   9           HD2      ARG   9  40.860   7.082 -13.709
   85    HD3  ARG   9           HD1      ARG   9  41.950   6.414 -15.008
   86    HE   ARG   9           HE       ARG   9  40.143   4.340 -14.035
   87   HH11  ARG   9          HH11      ARG   9  40.189   7.295 -16.109
   88   HH12  ARG   9          HH12      ARG   9  38.867   6.776 -17.099
   89   HH21  ARG   9          HH21      ARG   9  38.372   3.688 -15.404
   90   HH22  ARG   9          HH22      ARG   9  37.826   4.708 -16.693
   91    H    ASP  10           HN       ASP  10  46.532   5.202 -12.824
   92    HA   ASP  10           HA       ASP  10  45.782   2.376 -12.802
   93    HB2  ASP  10           HB2      ASP  10  47.983   3.992 -14.196
   94    HB3  ASP  10           HB1      ASP  10  48.119   2.198 -14.102
   95    H    PHE  11           HN       PHE  11  47.782   4.535 -10.879
   96    HA   PHE  11           HA       PHE  11  49.322   2.320  -9.965
   97    HB2  PHE  11           HB2      PHE  11  51.001   3.802  -9.743
   98    HB3  PHE  11           HB1      PHE  11  49.857   5.107 -10.180
   99    HD1  PHE  11           HD1      PHE  11  51.070   3.161  -7.092
  100    HD2  PHE  11           HD2      PHE  11  49.266   6.606  -8.768
  101    HE1  PHE  11           HE1      PHE  11  50.857   4.184  -4.879
  102    HE2  PHE  11           HE2      PHE  11  49.088   7.587  -6.618
  103    HZ   PHE  11           HZ       PHE  11  49.814   6.416  -4.645
  104    H    ILE  12           HN       ILE  12  46.865   4.419  -8.521
  105    HA   ILE  12           HA       ILE  12  47.122   3.288  -5.956
  106    HB   ILE  12           HB       ILE  12  44.964   4.769  -7.444
  107   HG12  ILE  12          HG12      ILE  12  46.862   5.586  -5.190
  108   HG13  ILE  12          HG11      ILE  12  47.116   5.783  -6.956
  109   HG21  ILE  12          HG21      ILE  12  44.887   3.745  -4.483
  110   HG22  ILE  12          HG22      ILE  12  43.620   3.538  -5.751
  111   HG23  ILE  12          HG23      ILE  12  43.902   5.153  -5.027
  112   HD11  ILE  12          HD11      ILE  12  46.368   7.847  -5.890
  113   HD12  ILE  12          HD12      ILE  12  44.816   7.062  -5.411
  114   HD13  ILE  12          HD13      ILE  12  45.213   7.269  -7.169
  115    H    LEU  13           HN       LEU  13  45.256   2.461  -8.842
  116    HA   LEU  13           HA       LEU  13  43.341   0.866  -7.473
  117    HB2  LEU  13           HB2      LEU  13  44.190   1.353 -10.313
  118    HB3  LEU  13           HB1      LEU  13  42.959   0.088  -9.972
  119    HG   LEU  13           HG       LEU  13  42.114   2.368 -10.665
  120   HD11  LEU  13          HD11      LEU  13  40.981   1.453  -7.958
  121   HD12  LEU  13          HD12      LEU  13  40.641   0.672  -9.550
  122   HD13  LEU  13          HD13      LEU  13  40.115   2.369  -9.248
  123   HD21  LEU  13          HD21      LEU  13  42.000   4.330  -9.288
  124   HD22  LEU  13          HD22      LEU  13  43.722   3.803  -9.197
  125   HD23  LEU  13          HD23      LEU  13  42.599   3.468  -7.820
  126    H    GLN  14           HN       GLN  14  46.445   0.055  -9.099
  127    HA   GLN  14           HA       GLN  14  45.986  -2.758  -9.096
  128    HB2  GLN  14           HB2      GLN  14  48.599  -1.147  -9.261
  129    HB3  GLN  14           HB1      GLN  14  48.536  -2.946  -9.410
  130    HG2  GLN  14           HG2      GLN  14  46.951  -2.685 -11.399
  131    HG3  GLN  14           HG1      GLN  14  47.158  -0.896 -11.286
  132   HE21  GLN  14          HE21      GLN  14  49.462  -0.013 -11.568
  133   HE22  GLN  14          HE22      GLN  14  50.584  -0.902 -12.542
  134    H    ARG  15           HN       ARG  15  46.783  -0.622  -6.403
  135    HA   ARG  15           HA       ARG  15  48.156  -2.725  -4.918
  136    HB2  ARG  15           HB2      ARG  15  47.353   0.112  -4.103
  137    HB3  ARG  15           HB1      ARG  15  48.281  -1.043  -3.068
  138    HG2  ARG  15           HG2      ARG  15  49.994  -1.170  -5.028
  139    HG3  ARG  15           HG1      ARG  15  49.131   0.250  -5.721
  140    HD2  ARG  15           HD2      ARG  15  49.559   1.531  -3.573
  141    HD3  ARG  15           HD1      ARG  15  50.480   0.090  -2.951
  142    HE   ARG  15           HE       ARG  15  51.531   0.891  -5.541
  143   HH11  ARG  15          HH11      ARG  15  51.484   1.946  -2.091
  144   HH12  ARG  15          HH12      ARG  15  52.982   2.809  -2.198
  145   HH21  ARG  15          HH21      ARG  15  53.540   2.084  -5.633
  146   HH22  ARG  15          HH22      ARG  15  54.157   2.888  -4.229
  147    H    LYS  16           HN       LYS  16  44.962  -2.018  -5.680
  148    HA   LYS  16           HA       LYS  16  43.904  -2.883  -3.072
  149    HB2  LYS  16           HB2      LYS  16  42.428  -1.680  -5.489
  150    HB3  LYS  16           HB1      LYS  16  41.714  -2.077  -3.880
  151    HG2  LYS  16           HG2      LYS  16  43.788  -0.381  -3.113
  152    HG3  LYS  16           HG1      LYS  16  43.418   0.270  -4.742
  153    HD2  LYS  16           HD2      LYS  16  41.293  -0.207  -2.571
  154    HD3  LYS  16           HD1      LYS  16  42.196   1.330  -2.731
  155    HE2  LYS  16           HE2      LYS  16  40.441   0.142  -5.017
  156    HE3  LYS  16           HE1      LYS  16  39.853   1.344  -3.804
  157    HZ1  LYS  16           HZ1      LYS  16  41.616   1.681  -6.080
  158    HZ2  LYS  16           HZ2      LYS  16  42.079   2.523  -4.679
  159    HZ3  LYS  16           HZ3      LYS  16  40.536   2.765  -5.345
  160    H    LYS  17           HN       LYS  17  44.636  -3.750  -6.403
  161    HA   LYS  17           HA       LYS  17  42.717  -5.929  -6.397
  162    HB2  LYS  17           HB2      LYS  17  44.612  -4.744  -8.509
  163    HB3  LYS  17           HB1      LYS  17  43.642  -6.236  -8.801
  164    HG2  LYS  17           HG2      LYS  17  41.533  -5.012  -8.538
  165    HG3  LYS  17           HG1      LYS  17  42.387  -3.522  -8.014
  166    HD2  LYS  17           HD2      LYS  17  43.486  -3.359 -10.254
  167    HD3  LYS  17           HD1      LYS  17  42.623  -4.845 -10.795
  168    HE2  LYS  17           HE2      LYS  17  40.404  -3.667 -10.498
  169    HE3  LYS  17           HE1      LYS  17  41.273  -2.177  -9.941
  170    HZ1  LYS  17           HZ1      LYS  17  42.139  -3.286 -12.488
  171    HZ2  LYS  17           HZ2      LYS  17  41.871  -1.678 -12.010
  172    HZ3  LYS  17           HZ3      LYS  17  40.560  -2.664 -12.451
  Start of MODEL   15
    1    H1   GLU   1           HT1      GLU   1  50.392  20.909 -22.360
    2    H2   GLU   1           HT2      GLU   1  51.594  20.578 -21.205
    3    H3   GLU   1           HT3      GLU   1  50.848  22.103 -21.241
    4    HA   GLU   1           HA       GLU   1  49.745  21.182 -19.532
    5    HB2  GLU   1           HB2      GLU   1  48.233  20.378 -22.105
    6    HB3  GLU   1           HB1      GLU   1  47.502  20.116 -20.475
    7    HG2  GLU   1           HG2      GLU   1  47.662  22.591 -19.983
    8    HG3  GLU   1           HG1      GLU   1  48.395  22.870 -21.610
    9    H    MET   2           HN       MET   2  50.197  19.575 -18.089
   10    HA   MET   2           HA       MET   2  50.180  16.792 -19.073
   11    HB2  MET   2           HB2      MET   2  52.154  18.057 -17.047
   12    HB3  MET   2           HB1      MET   2  52.000  16.288 -17.343
   13    HG2  MET   2           HG2      MET   2  52.698  16.620 -19.721
   14    HG3  MET   2           HG1      MET   2  52.849  18.386 -19.437
   15    HE1  MET   2           HE1      MET   2  55.061  16.543 -20.704
   16    HE2  MET   2           HE2      MET   2  56.536  17.215 -19.928
   17    HE3  MET   2           HE3      MET   2  55.216  18.317 -20.447
   18    H    ARG   3           HN       ARG   3  49.438  15.230 -17.484
   19    HA   ARG   3           HA       ARG   3  48.090  16.425 -15.146
   20    HB2  ARG   3           HB2      ARG   3  46.998  14.272 -17.077
   21    HB3  ARG   3           HB1      ARG   3  46.287  14.614 -15.457
   22    HG2  ARG   3           HG2      ARG   3  45.725  16.939 -16.158
   23    HG3  ARG   3           HG1      ARG   3  46.514  16.678 -17.747
   24    HD2  ARG   3           HD2      ARG   3  44.040  16.479 -17.992
   25    HD3  ARG   3           HD1      ARG   3  44.799  14.848 -18.267
   26    HE   ARG   3           HE       ARG   3  44.079  15.152 -15.458
   27   HH11  ARG   3          HH11      ARG   3  42.528  14.671 -18.683
   28   HH12  ARG   3          HH12      ARG   3  41.203  13.755 -18.048
   29   HH21  ARG   3          HH21      ARG   3  42.278  13.902 -14.665
   30   HH22  ARG   3          HH22      ARG   3  41.061  13.315 -15.748
   31    H    LEU   4           HN       LEU   4  48.006  15.088 -13.284
   32    HA   LEU   4           HA       LEU   4  49.712  12.690 -13.406
   33    HB2  LEU   4           HB2      LEU   4  49.458  14.806 -11.173
   34    HB3  LEU   4           HB1      LEU   4  50.274  13.220 -10.933
   35    HG   LEU   4           HG       LEU   4  51.173  15.304 -13.030
   36   HD11  LEU   4          HD11      LEU   4  52.319  14.839 -10.193
   37   HD12  LEU   4          HD12      LEU   4  51.374  16.277 -10.739
   38   HD13  LEU   4          HD13      LEU   4  52.996  15.945 -11.451
   39   HD21  LEU   4          HD21      LEU   4  52.077  13.165 -13.709
   40   HD22  LEU   4          HD22      LEU   4  52.444  12.672 -12.013
   41   HD23  LEU   4          HD23      LEU   4  53.421  13.961 -12.812
   42    H    SER   5           HN       SER   5  46.602  13.512 -13.522
   43    HA   SER   5           HA       SER   5  45.624  12.084 -11.192
   44    HB2  SER   5           HB2      SER   5  44.150  13.312 -13.618
   45    HB3  SER   5           HB1      SER   5  43.318  12.514 -12.219
   46    HG   SER   5           HG       SER   5  45.183  14.607 -11.873
   47    H    LYS   6           HN       LYS   6  46.561  11.366 -14.514
   48    HA   LYS   6           HA       LYS   6  44.953   8.929 -14.681
   49    HB2  LYS   6           HB2      LYS   6  47.136  10.093 -16.535
   50    HB3  LYS   6           HB1      LYS   6  46.154   8.620 -16.887
   51    HG2  LYS   6           HG2      LYS   6  44.056  10.013 -16.839
   52    HG3  LYS   6           HG1      LYS   6  45.041  11.483 -16.513
   53    HD2  LYS   6           HD2      LYS   6  46.247  11.149 -18.694
   54    HD3  LYS   6           HD1      LYS   6  45.241   9.693 -19.017
   55    HE2  LYS   6           HE2      LYS   6  43.161  11.129 -19.041
   56    HE3  LYS   6           HE1      LYS   6  44.174  12.593 -18.704
   57    HZ1  LYS   6           HZ1      LYS   6  45.188  12.420 -20.771
   58    HZ2  LYS   6           HZ2      LYS   6  43.546  12.115 -21.077
   59    HZ3  LYS   6           HZ3      LYS   6  44.656  10.831 -21.042
   60    H    PHE   7           HN       PHE   7  48.022  10.012 -13.423
   61    HA   PHE   7           HA       PHE   7  49.544   7.603 -13.695
   62    HB2  PHE   7           HB2      PHE   7  49.762  10.243 -12.172
   63    HB3  PHE   7           HB1      PHE   7  50.756   8.864 -11.570
   64    HD1  PHE   7           HD1      PHE   7  50.036  10.832 -14.758
   65    HD2  PHE   7           HD2      PHE   7  52.884   8.563 -12.503
   66    HE1  PHE   7           HE1      PHE   7  51.783  11.405 -16.355
   67    HE2  PHE   7           HE2      PHE   7  54.605   9.159 -14.125
   68    HZ   PHE   7           HZ       PHE   7  54.064  10.575 -16.046
   69    H    PHE   8           HN       PHE   8  47.288   9.089 -11.511
   70    HA   PHE   8           HA       PHE   8  47.867   7.301  -9.337
   71    HB2  PHE   8           HB2      PHE   8  46.898  10.021  -9.842
   72    HB3  PHE   8           HB1      PHE   8  45.702   9.116  -8.840
   73    HD1  PHE   8           HD1      PHE   8  49.445   8.948  -9.016
   74    HD2  PHE   8           HD2      PHE   8  46.031   9.871  -6.592
   75    HE1  PHE   8           HE1      PHE   8  50.909   9.555  -7.195
   76    HE2  PHE   8           HE2      PHE   8  47.537  10.422  -4.727
   77    HZ   PHE   8           HZ       PHE   8  49.976  10.271  -5.019
   78    H    ARG   9           HN       ARG   9  45.831   7.551 -12.029
   79    HA   ARG   9           HA       ARG   9  43.740   5.993 -10.819
   80    HB2  ARG   9           HB2      ARG   9  43.355   7.791 -12.577
   81    HB3  ARG   9           HB1      ARG   9  44.341   6.841 -13.734
   82    HG2  ARG   9           HG2      ARG   9  42.714   5.072 -13.795
   83    HG3  ARG   9           HG1      ARG   9  41.778   5.776 -12.429
   84    HD2  ARG   9           HD2      ARG   9  41.224   7.776 -13.825
   85    HD3  ARG   9           HD1      ARG   9  42.181   7.073 -15.207
   86    HE   ARG   9           HE       ARG   9  40.298   5.074 -14.444
   87   HH11  ARG   9          HH11      ARG   9  40.180   8.443 -15.734
   88   HH12  ARG   9          HH12      ARG   9  38.662   8.219 -16.537
   89   HH21  ARG   9          HH21      ARG   9  38.256   4.829 -15.541
   90   HH22  ARG   9          HH22      ARG   9  37.560   6.146 -16.425
   91    H    ASP  10           HN       ASP  10  46.793   5.603 -12.631
   92    HA   ASP  10           HA       ASP  10  46.084   2.816 -13.122
   93    HB2  ASP  10           HB2      ASP  10  48.713   4.351 -13.654
   94    HB3  ASP  10           HB1      ASP  10  48.434   2.635 -14.128
   95    H    PHE  11           HN       PHE  11  47.922   4.716 -10.734
   96    HA   PHE  11           HA       PHE  11  49.173   2.375  -9.744
   97    HB2  PHE  11           HB2      PHE  11  50.816   3.785  -9.135
   98    HB3  PHE  11           HB1      PHE  11  49.775   5.157  -9.623
   99    HD1  PHE  11           HD1      PHE  11  50.523   2.932  -6.589
  100    HD2  PHE  11           HD2      PHE  11  48.918   6.514  -8.186
  101    HE1  PHE  11           HE1      PHE  11  49.970   3.734  -4.346
  102    HE2  PHE  11           HE2      PHE  11  48.411   7.285  -6.005
  103    HZ   PHE  11           HZ       PHE  11  48.860   5.933  -4.061
  104    H    ILE  12           HN       ILE  12  46.525   4.403  -8.505
  105    HA   ILE  12           HA       ILE  12  46.385   3.034  -6.055
  106    HB   ILE  12           HB       ILE  12  44.479   4.679  -7.700
  107   HG12  ILE  12          HG12      ILE  12  45.997   5.196  -5.093
  108   HG13  ILE  12          HG11      ILE  12  46.521   5.598  -6.762
  109   HG21  ILE  12          HG21      ILE  12  43.018   4.811  -5.481
  110   HG22  ILE  12          HG22      ILE  12  43.918   3.361  -4.910
  111   HG23  ILE  12          HG23      ILE  12  42.891   3.265  -6.388
  112   HD11  ILE  12          HD11      ILE  12  44.043   6.744  -5.397
  113   HD12  ILE  12          HD12      ILE  12  44.627   7.112  -7.072
  114   HD13  ILE  12          HD13      ILE  12  45.642   7.547  -5.620
  115    H    LEU  13           HN       LEU  13  45.027   2.467  -9.267
  116    HA   LEU  13           HA       LEU  13  43.015   0.648  -8.381
  117    HB2  LEU  13           HB2      LEU  13  44.284   1.465 -10.988
  118    HB3  LEU  13           HB1      LEU  13  43.064   0.143 -10.971
  119    HG   LEU  13           HG       LEU  13  42.281   2.497 -11.554
  120   HD11  LEU  13          HD11      LEU  13  40.058   2.297 -10.475
  121   HD12  LEU  13          HD12      LEU  13  40.740   1.121  -9.294
  122   HD13  LEU  13          HD13      LEU  13  40.677   0.703 -11.044
  123   HD21  LEU  13          HD21      LEU  13  43.518   3.788  -9.676
  124   HD22  LEU  13          HD22      LEU  13  42.219   3.217  -8.551
  125   HD23  LEU  13          HD23      LEU  13  41.795   4.245  -9.965
  126    H    GLN  14           HN       GLN  14  46.404   0.278  -9.390
  127    HA   GLN  14           HA       GLN  14  46.317  -2.567  -9.714
  128    HB2  GLN  14           HB2      GLN  14  48.567  -0.521  -9.375
  129    HB3  GLN  14           HB1      GLN  14  48.939  -2.285  -9.333
  130    HG2  GLN  14           HG2      GLN  14  47.975  -2.568 -11.640
  131    HG3  GLN  14           HG1      GLN  14  47.552  -0.816 -11.685
  132   HE21  GLN  14          HE21      GLN  14  50.450  -3.013 -11.137
  133   HE22  GLN  14          HE22      GLN  14  51.599  -1.958 -11.889
  134    H    ARG  15           HN       ARG  15  46.432  -0.500  -6.831
  135    HA   ARG  15           HA       ARG  15  47.595  -2.667  -5.225
  136    HB2  ARG  15           HB2      ARG  15  47.045   0.265  -4.540
  137    HB3  ARG  15           HB1      ARG  15  47.722  -0.952  -3.389
  138    HG2  ARG  15           HG2      ARG  15  49.611  -1.361  -5.094
  139    HG3  ARG  15           HG1      ARG  15  48.991   0.059  -6.008
  140    HD2  ARG  15           HD2      ARG  15  49.296   1.480  -3.913
  141    HD3  ARG  15           HD1      ARG  15  50.050   0.026  -3.117
  142    HE   ARG  15           HE       ARG  15  51.382   0.481  -5.636
  143   HH11  ARG  15          HH11      ARG  15  51.074   2.023  -2.389
  144   HH12  ARG  15          HH12      ARG  15  52.616   2.807  -2.473
  145   HH21  ARG  15          HH21      ARG  15  53.446   1.570  -5.700
  146   HH22  ARG  15          HH22      ARG  15  53.974   2.546  -4.370
  147    H    LYS  16           HN       LYS  16  44.694  -2.535  -6.423
  148    HA   LYS  16           HA       LYS  16  43.151  -2.541  -3.926
  149    HB2  LYS  16           HB2      LYS  16  42.299  -2.758  -6.860
  150    HB3  LYS  16           HB1      LYS  16  41.167  -2.946  -5.463
  151    HG2  LYS  16           HG2      LYS  16  41.944  -0.609  -4.669
  152    HG3  LYS  16           HG1      LYS  16  42.797  -0.455  -6.244
  153    HD2  LYS  16           HD2      LYS  16  40.653  -0.776  -7.457
  154    HD3  LYS  16           HD1      LYS  16  39.803  -0.994  -5.886
  155    HE2  LYS  16           HE2      LYS  16  40.386   1.381  -5.237
  156    HE3  LYS  16           HE1      LYS  16  41.235   1.600  -6.823
  157    HZ1  LYS  16           HZ1      LYS  16  38.927   0.795  -7.719
  158    HZ2  LYS  16           HZ2      LYS  16  39.203   2.414  -7.290
  159    HZ3  LYS  16           HZ3      LYS  16  38.370   1.385  -6.228
  160    H    LYS  17           HN       LYS  17  44.993  -4.595  -5.989
  161    HA   LYS  17           HA       LYS  17  45.295  -6.716  -6.238
  162    HB2  LYS  17           HB2      LYS  17  43.941  -7.157  -3.499
  163    HB3  LYS  17           HB1      LYS  17  44.995  -8.337  -4.352
  164    HG2  LYS  17           HG2      LYS  17  46.723  -7.471  -3.161
  165    HG3  LYS  17           HG1      LYS  17  46.647  -6.051  -4.254
  166    HD2  LYS  17           HD2      LYS  17  45.094  -4.904  -2.623
  167    HD3  LYS  17           HD1      LYS  17  45.189  -6.323  -1.531
  168    HE2  LYS  17           HE2      LYS  17  47.710  -4.729  -2.391
  169    HE3  LYS  17           HE1      LYS  17  46.711  -4.282  -0.951
  170    HZ1  LYS  17           HZ1      LYS  17  48.411  -6.636  -1.407
  171    HZ2  LYS  17           HZ2      LYS  17  47.066  -6.786  -0.382
  172    HZ3  LYS  17           HZ3      LYS  17  48.266  -5.632  -0.047
  Start of MODEL   16
    1    H1   GLU   1           HT1      GLU   1  55.400  18.441 -17.262
    2    H2   GLU   1           HT2      GLU   1  55.382  18.979 -15.651
    3    H3   GLU   1           HT3      GLU   1  54.227  19.558 -16.753
    4    HA   GLU   1           HA       GLU   1  53.812  16.960 -16.970
    5    HB2  GLU   1           HB2      GLU   1  54.780  17.542 -14.092
    6    HB3  GLU   1           HB1      GLU   1  53.612  16.208 -14.419
    7    HG2  GLU   1           HG2      GLU   1  55.269  15.114 -15.986
    8    HG3  GLU   1           HG1      GLU   1  56.451  16.443 -15.665
    9    H    MET   2           HN       MET   2  51.772  17.594 -17.657
   10    HA   MET   2           HA       MET   2  49.972  18.669 -15.586
   11    HB2  MET   2           HB2      MET   2  50.117  19.561 -18.551
   12    HB3  MET   2           HB1      MET   2  48.763  19.974 -17.437
   13    HG2  MET   2           HG2      MET   2  50.343  21.238 -15.974
   14    HG3  MET   2           HG1      MET   2  51.706  20.816 -17.063
   15    HE1  MET   2           HE1      MET   2  50.974  23.730 -16.104
   16    HE2  MET   2           HE2      MET   2  51.262  24.651 -17.621
   17    HE3  MET   2           HE3      MET   2  52.360  23.301 -17.168
   18    H    ARG   3           HN       ARG   3  47.811  17.875 -15.724
   19    HA   ARG   3           HA       ARG   3  46.224  16.412 -16.047
   20    HB2  ARG   3           HB2      ARG   3  47.210  16.136 -18.963
   21    HB3  ARG   3           HB1      ARG   3  45.653  15.483 -18.334
   22    HG2  ARG   3           HG2      ARG   3  44.914  17.826 -17.759
   23    HG3  ARG   3           HG1      ARG   3  46.459  18.467 -18.404
   24    HD2  ARG   3           HD2      ARG   3  44.764  18.785 -20.142
   25    HD3  ARG   3           HD1      ARG   3  45.824  17.418 -20.703
   26    HE   ARG   3           HE       ARG   3  43.589  16.339 -19.198
   27   HH11  ARG   3          HH11      ARG   3  44.283  17.941 -22.358
   28   HH12  ARG   3          HH12      ARG   3  42.957  17.186 -23.175
   29   HH21  ARG   3          HH21      ARG   3  41.822  15.347 -20.354
   30   HH22  ARG   3          HH22      ARG   3  41.550  15.700 -22.028
   31    H    LEU   4           HN       LEU   4  47.165  15.002 -14.449
   32    HA   LEU   4           HA       LEU   4  47.952  12.466 -15.646
   33    HB2  LEU   4           HB2      LEU   4  49.707  12.128 -13.794
   34    HB3  LEU   4           HB1      LEU   4  50.145  13.288 -15.074
   35    HG   LEU   4           HG       LEU   4  48.787  14.701 -12.840
   36   HD11  LEU   4          HD11      LEU   4  50.478  14.401 -11.059
   37   HD12  LEU   4          HD12      LEU   4  51.341  13.161 -12.047
   38   HD13  LEU   4          HD13      LEU   4  49.674  12.832 -11.441
   39   HD21  LEU   4          HD21      LEU   4  50.800  16.164 -12.931
   40   HD22  LEU   4          HD22      LEU   4  50.187  15.825 -14.593
   41   HD23  LEU   4          HD23      LEU   4  51.652  14.967 -13.980
   42    H    SER   5           HN       SER   5  45.371  13.288 -14.796
   43    HA   SER   5           HA       SER   5  44.996  12.240 -12.116
   44    HB2  SER   5           HB2      SER   5  42.959  13.168 -14.256
   45    HB3  SER   5           HB1      SER   5  42.518  12.655 -12.575
   46    HG   SER   5           HG       SER   5  44.442  14.659 -13.067
   47    H    LYS   6           HN       LYS   6  44.963  11.115 -15.458
   48    HA   LYS   6           HA       LYS   6  43.410   8.717 -14.878
   49    HB2  LYS   6           HB2      LYS   6  44.855   9.728 -17.404
   50    HB3  LYS   6           HB1      LYS   6  43.928   8.181 -17.322
   51    HG2  LYS   6           HG2      LYS   6  41.860   9.487 -16.648
   52    HG3  LYS   6           HG1      LYS   6  42.779  11.016 -16.834
   53    HD2  LYS   6           HD2      LYS   6  42.409   8.984 -19.120
   54    HD3  LYS   6           HD1      LYS   6  41.228  10.289 -18.771
   55    HE2  LYS   6           HE2      LYS   6  43.082  12.019 -19.129
   56    HE3  LYS   6           HE1      LYS   6  44.205  10.671 -19.584
   57    HZ1  LYS   6           HZ1      LYS   6  42.096  10.187 -21.149
   58    HZ2  LYS   6           HZ2      LYS   6  43.442  11.121 -21.598
   59    HZ3  LYS   6           HZ3      LYS   6  42.023  11.880 -21.054
   60    H    PHE   7           HN       PHE   7  46.701   9.826 -14.678
   61    HA   PHE   7           HA       PHE   7  48.083   7.365 -15.172
   62    HB2  PHE   7           HB2      PHE   7  48.718  10.109 -13.990
   63    HB3  PHE   7           HB1      PHE   7  49.859   8.765 -13.619
   64    HD1  PHE   7           HD1      PHE   7  48.171  10.438 -16.615
   65    HD2  PHE   7           HD2      PHE   7  51.631   8.429 -15.095
   66    HE1  PHE   7           HE1      PHE   7  49.352  10.867 -18.696
   67    HE2  PHE   7           HE2      PHE   7  52.778   8.874 -17.197
   68    HZ   PHE   7           HZ       PHE   7  51.649  10.089 -18.996
   69    H    PHE   8           HN       PHE   8  46.545   9.067 -12.575
   70    HA   PHE   8           HA       PHE   8  47.741   7.479 -10.501
   71    HB2  PHE   8           HB2      PHE   8  46.596  10.139 -10.970
   72    HB3  PHE   8           HB1      PHE   8  45.754   9.336  -9.593
   73    HD1  PHE   8           HD1      PHE   8  49.298   9.148 -10.792
   74    HD2  PHE   8           HD2      PHE   8  46.672  10.314  -7.613
   75    HE1  PHE   8           HE1      PHE   8  51.193   9.935  -9.524
   76    HE2  PHE   8           HE2      PHE   8  48.620  11.052  -6.307
   77    HZ   PHE   8           HZ       PHE   8  50.883  10.869  -7.253
   78    H    ARG   9           HN       ARG   9  45.024   7.539 -12.509
   79    HA   ARG   9           HA       ARG   9  43.366   6.113 -10.663
   80    HB2  ARG   9           HB2      ARG   9  42.543   7.765 -12.404
   81    HB3  ARG   9           HB1      ARG   9  43.197   6.699 -13.686
   82    HG2  ARG   9           HG2      ARG   9  41.594   4.956 -13.137
   83    HG3  ARG   9           HG1      ARG   9  40.996   5.884 -11.713
   84    HD2  ARG   9           HD2      ARG   9  40.182   7.703 -13.194
   85    HD3  ARG   9           HD1      ARG   9  40.854   6.837 -14.651
   86    HE   ARG   9           HE       ARG   9  39.085   5.035 -13.259
   87   HH11  ARG   9          HH11      ARG   9  38.947   8.085 -15.177
   88   HH12  ARG   9          HH12      ARG   9  37.333   7.811 -15.744
   89   HH21  ARG   9          HH21      ARG   9  36.916   4.708 -14.051
   90   HH22  ARG   9          HH22      ARG   9  36.170   5.870 -15.095
   91    H    ASP  10           HN       ASP  10  45.821   5.476 -13.201
   92    HA   ASP  10           HA       ASP  10  44.991   2.679 -13.172
   93    HB2  ASP  10           HB2      ASP  10  47.155   4.235 -14.696
   94    HB3  ASP  10           HB1      ASP  10  47.228   2.436 -14.627
   95    H    PHE  11           HN       PHE  11  47.469   4.771 -11.663
   96    HA   PHE  11           HA       PHE  11  48.960   2.538 -10.793
   97    HB2  PHE  11           HB2      PHE  11  50.662   4.002 -10.783
   98    HB3  PHE  11           HB1      PHE  11  49.487   5.319 -11.083
   99    HD1  PHE  11           HD1      PHE  11  51.033   3.355  -8.163
  100    HD2  PHE  11           HD2      PHE  11  49.095   6.831  -9.614
  101    HE1  PHE  11           HE1      PHE  11  51.110   4.380  -5.944
  102    HE2  PHE  11           HE2      PHE  11  49.203   7.813  -7.461
  103    HZ   PHE  11           HZ       PHE  11  50.151   6.628  -5.588
  104    H    ILE  12           HN       ILE  12  46.708   4.675  -9.064
  105    HA   ILE  12           HA       ILE  12  47.253   3.519  -6.559
  106    HB   ILE  12           HB       ILE  12  44.969   5.062  -7.765
  107   HG12  ILE  12          HG12      ILE  12  47.138   5.791  -5.733
  108   HG13  ILE  12          HG11      ILE  12  47.198   6.008  -7.513
  109   HG21  ILE  12          HG21      ILE  12  44.224   5.438  -5.220
  110   HG22  ILE  12          HG22      ILE  12  45.202   3.975  -4.837
  111   HG23  ILE  12          HG23      ILE  12  43.789   3.854  -5.948
  112   HD11  ILE  12          HD11      ILE  12  45.290   7.532  -7.469
  113   HD12  ILE  12          HD12      ILE  12  46.649   8.083  -6.385
  114   HD13  ILE  12          HD13      ILE  12  45.167   7.347  -5.670
  115    H    LEU  13           HN       LEU  13  45.110   2.687  -9.246
  116    HA   LEU  13           HA       LEU  13  43.432   0.982  -7.667
  117    HB2  LEU  13           HB2      LEU  13  43.842   1.619 -10.572
  118    HB3  LEU  13           HB1      LEU  13  42.694   0.317 -10.104
  119    HG   LEU  13           HG       LEU  13  41.732   2.595 -10.567
  120   HD11  LEU  13          HD11      LEU  13  41.026   1.582  -7.759
  121   HD12  LEU  13          HD12      LEU  13  40.462   0.843  -9.306
  122   HD13  LEU  13          HD13      LEU  13  39.965   2.521  -8.875
  123   HD21  LEU  13          HD21      LEU  13  43.523   4.015  -9.316
  124   HD22  LEU  13          HD22      LEU  13  42.606   3.631  -7.806
  125   HD23  LEU  13          HD23      LEU  13  41.797   4.517  -9.148
  126    H    GLN  14           HN       GLN  14  46.511   0.497  -9.229
  127    HA   GLN  14           HA       GLN  14  46.229  -2.402  -9.412
  128    HB2  GLN  14           HB2      GLN  14  48.587  -0.483  -9.864
  129    HB3  GLN  14           HB1      GLN  14  48.809  -2.274  -9.885
  130    HG2  GLN  14           HG2      GLN  14  47.205  -2.491 -11.783
  131    HG3  GLN  14           HG1      GLN  14  46.891  -0.717 -11.763
  132   HE21  GLN  14          HE21      GLN  14  48.801   0.775 -12.274
  133   HE22  GLN  14          HE22      GLN  14  50.089   0.186 -13.270
  134    H    ARG  15           HN       ARG  15  46.774  -0.237  -6.783
  135    HA   ARG  15           HA       ARG  15  48.502  -2.159  -5.365
  136    HB2  ARG  15           HB2      ARG  15  47.883   0.785  -4.790
  137    HB3  ARG  15           HB1      ARG  15  48.883  -0.283  -3.728
  138    HG2  ARG  15           HG2      ARG  15  50.376  -0.731  -5.797
  139    HG3  ARG  15           HG1      ARG  15  49.480   0.601  -6.615
  140    HD2  ARG  15           HD2      ARG  15  50.166   2.183  -4.783
  141    HD3  ARG  15           HD1      ARG  15  51.083   0.823  -3.993
  142    HE   ARG  15           HE       ARG  15  51.909   1.124  -6.773
  143   HH11  ARG  15          HH11      ARG  15  52.277   2.701  -3.550
  144   HH12  ARG  15          HH12      ARG  15  53.811   3.411  -3.929
  145   HH21  ARG  15          HH21      ARG  15  53.968   2.118  -7.235
  146   HH22  ARG  15          HH22      ARG  15  54.777   3.077  -6.042
  147    H    LYS  16           HN       LYS  16  45.509  -2.466  -5.918
  148    HA   LYS  16           HA       LYS  16  44.382  -2.149  -3.228
  149    HB2  LYS  16           HB2      LYS  16  43.076  -3.183  -5.833
  150    HB3  LYS  16           HB1      LYS  16  42.215  -2.863  -4.287
  151    HG2  LYS  16           HG2      LYS  16  43.677  -0.708  -5.941
  152    HG3  LYS  16           HG1      LYS  16  41.942  -1.103  -6.115
  153    HD2  LYS  16           HD2      LYS  16  41.560  -0.434  -3.714
  154    HD3  LYS  16           HD1      LYS  16  43.303  -0.020  -3.549
  155    HE2  LYS  16           HE2      LYS  16  43.062   1.733  -5.351
  156    HE3  LYS  16           HE1      LYS  16  41.303   1.329  -5.497
  157    HZ1  LYS  16           HZ1      LYS  16  42.736   2.795  -3.439
  158    HZ2  LYS  16           HZ2      LYS  16  41.506   1.759  -2.891
  159    HZ3  LYS  16           HZ3      LYS  16  41.154   2.971  -4.028
  160    H    LYS  17           HN       LYS  17  46.087  -4.400  -5.214
  161    HA   LYS  17           HA       LYS  17  46.523  -6.523  -5.193
  162    HB2  LYS  17           HB2      LYS  17  45.897  -6.339  -2.179
  163    HB3  LYS  17           HB1      LYS  17  46.716  -7.742  -2.952
  164    HG2  LYS  17           HG2      LYS  17  48.732  -6.718  -2.839
  165    HG3  LYS  17           HG1      LYS  17  48.136  -5.299  -3.760
  166    HD2  LYS  17           HD2      LYS  17  47.303  -4.251  -1.664
  167    HD3  LYS  17           HD1      LYS  17  47.805  -5.697  -0.711
  168    HE2  LYS  17           HE2      LYS  17  50.231  -5.252  -1.391
  169    HE3  LYS  17           HE1      LYS  17  49.678  -3.747  -2.238
  170    HZ1  LYS  17           HZ1      LYS  17  50.252  -2.958  -0.221
  171    HZ2  LYS  17           HZ2      LYS  17  49.817  -4.362   0.629
  172    HZ3  LYS  17           HZ3      LYS  17  48.615  -3.292   0.086
  Start of MODEL   17
    1    H1   GLU   1           HT1      GLU   1  51.006  23.254 -20.030
    2    H2   GLU   1           HT2      GLU   1  52.002  22.259 -19.080
    3    H3   GLU   1           HT3      GLU   1  51.042  23.451 -18.344
    4    HA   GLU   1           HA       GLU   1  49.470  21.998 -18.051
    5    HB2  GLU   1           HB2      GLU   1  49.558  21.936 -21.141
    6    HB3  GLU   1           HB1      GLU   1  48.343  20.967 -20.225
    7    HG2  GLU   1           HG2      GLU   1  47.443  23.079 -19.154
    8    HG3  GLU   1           HG1      GLU   1  48.645  24.058 -20.083
    9    H    MET   2           HN       MET   2  49.857  20.115 -16.967
   10    HA   MET   2           HA       MET   2  51.125  17.903 -18.455
   11    HB2  MET   2           HB2      MET   2  51.677  18.752 -15.527
   12    HB3  MET   2           HB1      MET   2  52.207  17.186 -16.240
   13    HG2  MET   2           HG2      MET   2  53.610  18.413 -17.906
   14    HG3  MET   2           HG1      MET   2  53.084  19.980 -17.206
   15    HE1  MET   2           HE1      MET   2  56.866  19.695 -16.241
   16    HE2  MET   2           HE2      MET   2  55.584  20.651 -17.060
   17    HE3  MET   2           HE3      MET   2  56.062  19.046 -17.713
   18    H    ARG   3           HN       ARG   3  50.467  15.754 -17.678
   19    HA   ARG   3           HA       ARG   3  47.850  15.823 -16.296
   20    HB2  ARG   3           HB2      ARG   3  48.916  13.827 -18.409
   21    HB3  ARG   3           HB1      ARG   3  47.359  13.643 -17.517
   22    HG2  ARG   3           HG2      ARG   3  46.527  15.788 -18.536
   23    HG3  ARG   3           HG1      ARG   3  48.074  15.959 -19.439
   24    HD2  ARG   3           HD2      ARG   3  47.591  13.773 -20.653
   25    HD3  ARG   3           HD1      ARG   3  46.001  13.666 -19.770
   26    HE   ARG   3           HE       ARG   3  46.170  16.254 -21.040
   27   HH11  ARG   3          HH11      ARG   3  45.836  12.773 -21.944
   28   HH12  ARG   3          HH12      ARG   3  45.003  13.105 -23.426
   29   HH21  ARG   3          HH21      ARG   3  45.045  16.640 -23.054
   30   HH22  ARG   3          HH22      ARG   3  44.552  15.319 -24.060
   31    H    LEU   4           HN       LEU   4  47.506  14.280 -14.622
   32    HA   LEU   4           HA       LEU   4  49.571  12.361 -14.012
   33    HB2  LEU   4           HB2      LEU   4  49.778  14.968 -12.821
   34    HB3  LEU   4           HB1      LEU   4  48.995  13.982 -11.550
   35    HG   LEU   4           HG       LEU   4  51.525  12.926 -12.942
   36   HD11  LEU   4          HD11      LEU   4  52.112  15.266 -12.310
   37   HD12  LEU   4          HD12      LEU   4  52.993  14.073 -11.285
   38   HD13  LEU   4          HD13      LEU   4  51.571  14.961 -10.615
   39   HD21  LEU   4          HD21      LEU   4  50.426  12.584 -10.064
   40   HD22  LEU   4          HD22      LEU   4  51.946  11.847 -10.700
   41   HD23  LEU   4          HD23      LEU   4  50.357  11.365 -11.391
   42    H    SER   5           HN       SER   5  46.451  13.028 -14.571
   43    HA   SER   5           HA       SER   5  45.273  11.964 -12.155
   44    HB2  SER   5           HB2      SER   5  44.019  12.751 -14.866
   45    HB3  SER   5           HB1      SER   5  43.067  12.175 -13.435
   46    HG   SER   5           HG       SER   5  44.870  14.196 -12.925
   47    H    LYS   6           HN       LYS   6  46.048  10.750 -15.486
   48    HA   LYS   6           HA       LYS   6  44.572   8.275 -15.058
   49    HB2  LYS   6           HB2      LYS   6  46.515   9.157 -17.290
   50    HB3  LYS   6           HB1      LYS   6  45.639   7.579 -17.271
   51    HG2  LYS   6           HG2      LYS   6  43.439   8.815 -17.269
   52    HG3  LYS   6           HG1      LYS   6  44.326  10.378 -17.336
   53    HD2  LYS   6           HD2      LYS   6  45.354   9.700 -19.524
   54    HD3  LYS   6           HD1      LYS   6  44.470   8.135 -19.452
   55    HE2  LYS   6           HE2      LYS   6  42.266   9.367 -19.549
   56    HE3  LYS   6           HE1      LYS   6  43.155  10.945 -19.612
   57    HZ1  LYS   6           HZ1      LYS   6  43.105  10.661 -21.778
   58    HZ2  LYS   6           HZ2      LYS   6  42.629   9.035 -21.678
   59    HZ3  LYS   6           HZ3      LYS   6  44.275   9.444 -21.597
   60    H    PHE   7           HN       PHE   7  47.692   9.547 -14.225
   61    HA   PHE   7           HA       PHE   7  49.268   7.172 -14.323
   62    HB2  PHE   7           HB2      PHE   7  49.460   9.954 -13.038
   63    HB3  PHE   7           HB1      PHE   7  50.635   8.676 -12.521
   64    HD1  PHE   7           HD1      PHE   7  49.375  10.553 -15.571
   65    HD2  PHE   7           HD2      PHE   7  52.573   8.297 -13.838
   66    HE1  PHE   7           HE1      PHE   7  50.823  11.131 -17.448
   67    HE2  PHE   7           HE2      PHE   7  53.990   8.896 -15.732
   68    HZ   PHE   7           HZ       PHE   7  53.124  10.309 -17.535
   69    H    PHE   8           HN       PHE   8  47.172   8.855 -12.083
   70    HA   PHE   8           HA       PHE   8  47.983   7.274  -9.815
   71    HB2  PHE   8           HB2      PHE   8  46.932   9.929 -10.486
   72    HB3  PHE   8           HB1      PHE   8  45.876   9.129  -9.268
   73    HD1  PHE   8           HD1      PHE   8  49.578   8.904  -9.810
   74    HD2  PHE   8           HD2      PHE   8  46.440  10.196  -7.191
   75    HE1  PHE   8           HE1      PHE   8  51.226   9.735  -8.245
   76    HE2  PHE   8           HE2      PHE   8  48.130  10.964  -5.579
   77    HZ   PHE   8           HZ       PHE   8  50.525  10.743  -6.098
   78    H    ARG   9           HN       ARG   9  45.635   7.319 -12.273
   79    HA   ARG   9           HA       ARG   9  43.634   5.998 -10.735
   80    HB2  ARG   9           HB2      ARG   9  43.297   7.482 -12.826
   81    HB3  ARG   9           HB1      ARG   9  44.070   6.191 -13.798
   82    HG2  ARG   9           HG2      ARG   9  42.221   4.622 -13.046
   83    HG3  ARG   9           HG1      ARG   9  41.459   6.005 -12.198
   84    HD2  ARG   9           HD2      ARG   9  40.312   5.873 -14.304
   85    HD3  ARG   9           HD1      ARG   9  41.505   7.229 -14.504
   86    HE   ARG   9           HE       ARG   9  42.721   4.730 -15.360
   87   HH11  ARG   9          HH11      ARG   9  40.253   7.135 -16.441
   88   HH12  ARG   9          HH12      ARG   9  40.464   6.783 -18.124
   89   HH21  ARG   9          HH21      ARG   9  42.963   4.302 -17.640
   90   HH22  ARG   9          HH22      ARG   9  42.015   5.160 -18.809
   91    H    ASP  10           HN       ASP  10  46.401   5.133 -12.876
   92    HA   ASP  10           HA       ASP  10  45.573   2.337 -12.659
   93    HB2  ASP  10           HB2      ASP  10  47.889   3.745 -14.108
   94    HB3  ASP  10           HB1      ASP  10  47.837   1.947 -13.976
   95    H    PHE  11           HN       PHE  11  47.613   4.519 -10.810
   96    HA   PHE  11           HA       PHE  11  49.067   2.286  -9.806
   97    HB2  PHE  11           HB2      PHE  11  50.799   3.719  -9.599
   98    HB3  PHE  11           HB1      PHE  11  49.708   5.051 -10.087
   99    HD1  PHE  11           HD1      PHE  11  50.830   3.152  -6.938
  100    HD2  PHE  11           HD2      PHE  11  49.123   6.598  -8.715
  101    HE1  PHE  11           HE1      PHE  11  50.610   4.225  -4.752
  102    HE2  PHE  11           HE2      PHE  11  48.935   7.632  -6.589
  103    HZ   PHE  11           HZ       PHE  11  49.608   6.488  -4.579
  104    H    ILE  12           HN       ILE  12  46.652   4.501  -8.466
  105    HA   ILE  12           HA       ILE  12  46.836   3.434  -5.864
  106    HB   ILE  12           HB       ILE  12  44.746   4.934  -7.430
  107   HG12  ILE  12          HG12      ILE  12  46.632   5.779  -5.182
  108   HG13  ILE  12          HG11      ILE  12  46.913   5.905  -6.951
  109   HG21  ILE  12          HG21      ILE  12  43.348   3.793  -5.703
  110   HG22  ILE  12          HG22      ILE  12  43.663   5.429  -5.039
  111   HG23  ILE  12          HG23      ILE  12  44.607   4.020  -4.432
  112   HD11  ILE  12          HD11      ILE  12  46.200   8.022  -5.960
  113   HD12  ILE  12          HD12      ILE  12  44.618   7.293  -5.496
  114   HD13  ILE  12          HD13      ILE  12  45.062   7.432  -7.251
  115    H    LEU  13           HN       LEU  13  44.985   2.596  -8.755
  116    HA   LEU  13           HA       LEU  13  43.010   1.077  -7.368
  117    HB2  LEU  13           HB2      LEU  13  43.863   1.527 -10.214
  118    HB3  LEU  13           HB1      LEU  13  42.588   0.313  -9.861
  119    HG   LEU  13           HG       LEU  13  41.825   2.605 -10.582
  120   HD11  LEU  13          HD11      LEU  13  39.835   2.715  -9.141
  121   HD12  LEU  13          HD12      LEU  13  40.676   1.776  -7.850
  122   HD13  LEU  13          HD13      LEU  13  40.288   0.993  -9.430
  123   HD21  LEU  13          HD21      LEU  13  41.775   4.588  -9.226
  124   HD22  LEU  13          HD22      LEU  13  43.485   4.016  -9.175
  125   HD23  LEU  13          HD23      LEU  13  42.388   3.731  -7.764
  126    H    GLN  14           HN       GLN  14  46.056   0.167  -9.074
  127    HA   GLN  14           HA       GLN  14  45.402  -2.652  -8.927
  128    HB2  GLN  14           HB2      GLN  14  48.037  -1.285  -9.751
  129    HB3  GLN  14           HB1      GLN  14  47.674  -3.047  -9.930
  130    HG2  GLN  14           HG2      GLN  14  45.640  -2.351 -11.405
  131    HG3  GLN  14           HG1      GLN  14  46.321  -0.676 -11.386
  132   HE21  GLN  14          HE21      GLN  14  48.311  -0.242 -12.637
  133   HE22  GLN  14          HE22      GLN  14  49.000  -1.421 -13.699
  134    H    ARG  15           HN       ARG  15  46.399  -0.609  -6.388
  135    HA   ARG  15           HA       ARG  15  48.327  -2.513  -5.306
  136    HB2  ARG  15           HB2      ARG  15  47.424   0.244  -4.416
  137    HB3  ARG  15           HB1      ARG  15  48.365  -0.833  -3.315
  138    HG2  ARG  15           HG2      ARG  15  50.155  -1.045  -5.085
  139    HG3  ARG  15           HG1      ARG  15  49.233   0.082  -6.126
  140    HD2  ARG  15           HD2      ARG  15  50.992   1.358  -5.039
  141    HD3  ARG  15           HD1      ARG  15  49.432   1.835  -4.250
  142    HE   ARG  15           HE       ARG  15  50.624  -0.357  -2.769
  143   HH11  ARG  15          HH11      ARG  15  51.159   3.161  -3.385
  144   HH12  ARG  15          HH12      ARG  15  51.933   3.438  -1.861
  145   HH21  ARG  15          HH21      ARG  15  51.669   0.083  -0.728
  146   HH22  ARG  15          HH22      ARG  15  52.223   1.677  -0.343
  147    H    LYS  16           HN       LYS  16  44.967  -2.322  -5.416
  148    HA   LYS  16           HA       LYS  16  44.723  -3.617  -2.778
  149    HB2  LYS  16           HB2      LYS  16  42.559  -2.059  -4.341
  150    HB3  LYS  16           HB1      LYS  16  42.310  -2.894  -2.766
  151    HG2  LYS  16           HG2      LYS  16  44.256  -0.521  -3.193
  152    HG3  LYS  16           HG1      LYS  16  42.557  -0.356  -2.651
  153    HD2  LYS  16           HD2      LYS  16  43.087  -1.764  -0.609
  154    HD3  LYS  16           HD1      LYS  16  44.802  -1.871  -1.139
  155    HE2  LYS  16           HE2      LYS  16  45.027   0.636  -0.957
  156    HE3  LYS  16           HE1      LYS  16  43.300   0.746  -0.416
  157    HZ1  LYS  16           HZ1      LYS  16  45.622  -0.462   0.970
  158    HZ2  LYS  16           HZ2      LYS  16  44.029  -0.881   1.385
  159    HZ3  LYS  16           HZ3      LYS  16  44.543   0.733   1.508
  160    H    LYS  17           HN       LYS  17  44.976  -4.152  -6.112
  161    HA   LYS  17           HA       LYS  17  42.961  -6.262  -6.110
  162    HB2  LYS  17           HB2      LYS  17  44.737  -5.022  -8.293
  163    HB3  LYS  17           HB1      LYS  17  43.710  -6.477  -8.582
  164    HG2  LYS  17           HG2      LYS  17  41.659  -5.190  -8.037
  165    HG3  LYS  17           HG1      LYS  17  42.635  -3.736  -7.635
  166    HD2  LYS  17           HD2      LYS  17  43.466  -3.623  -9.974
  167    HD3  LYS  17           HD1      LYS  17  42.526  -5.098 -10.405
  168    HE2  LYS  17           HE2      LYS  17  40.369  -3.864  -9.876
  169    HE3  LYS  17           HE1      LYS  17  41.331  -2.383  -9.473
  170    HZ1  LYS  17           HZ1      LYS  17  40.567  -3.461 -12.016
  171    HZ2  LYS  17           HZ2      LYS  17  42.227  -3.118 -11.936
  172    HZ3  LYS  17           HZ3      LYS  17  41.093  -1.903 -11.592
  Start of MODEL   18
    1    H1   GLU   1           HT1      GLU   1  49.891  22.511 -19.049
    2    H2   GLU   1           HT2      GLU   1  50.167  21.432 -17.767
    3    H3   GLU   1           HT3      GLU   1  48.971  21.088 -18.923
    4    HA   GLU   1           HA       GLU   1  50.804  21.136 -20.616
    5    HB2  GLU   1           HB2      GLU   1  52.403  20.963 -17.978
    6    HB3  GLU   1           HB1      GLU   1  53.071  20.298 -19.515
    7    HG2  GLU   1           HG2      GLU   1  52.907  22.581 -20.595
    8    HG3  GLU   1           HG1      GLU   1  52.243  23.260 -19.056
    9    H    MET   2           HN       MET   2  51.082  19.137 -17.548
   10    HA   MET   2           HA       MET   2  50.059  16.830 -19.075
   11    HB2  MET   2           HB2      MET   2  52.442  16.835 -17.094
   12    HB3  MET   2           HB1      MET   2  51.642  15.344 -17.712
   13    HG2  MET   2           HG2      MET   2  52.309  15.949 -20.044
   14    HG3  MET   2           HG1      MET   2  53.100  17.441 -19.440
   15    HE1  MET   2           HE1      MET   2  55.233  16.800 -20.729
   16    HE2  MET   2           HE2      MET   2  54.432  15.299 -21.310
   17    HE3  MET   2           HE3      MET   2  56.085  15.221 -20.609
   18    H    ARG   3           HN       ARG   3  48.960  15.223 -17.711
   19    HA   ARG   3           HA       ARG   3  47.926  16.426 -15.214
   20    HB2  ARG   3           HB2      ARG   3  46.635  14.363 -17.126
   21    HB3  ARG   3           HB1      ARG   3  45.928  14.876 -15.548
   22    HG2  ARG   3           HG2      ARG   3  45.753  17.234 -16.389
   23    HG3  ARG   3           HG1      ARG   3  46.454  16.728 -17.968
   24    HD2  ARG   3           HD2      ARG   3  44.482  15.169 -18.336
   25    HD3  ARG   3           HD1      ARG   3  43.766  15.736 -16.760
   26    HE   ARG   3           HE       ARG   3  44.357  18.053 -18.373
   27   HH11  ARG   3          HH11      ARG   3  42.106  15.230 -18.360
   28   HH12  ARG   3          HH12      ARG   3  40.860  16.056 -19.235
   29   HH21  ARG   3          HH21      ARG   3  42.642  19.116 -19.554
   30   HH22  ARG   3          HH22      ARG   3  41.169  18.281 -19.919
   31    H    LEU   4           HN       LEU   4  47.970  15.177 -13.315
   32    HA   LEU   4           HA       LEU   4  49.417  12.620 -13.538
   33    HB2  LEU   4           HB2      LEU   4  49.368  14.687 -11.252
   34    HB3  LEU   4           HB1      LEU   4  50.114  13.057 -11.098
   35    HG   LEU   4           HG       LEU   4  51.013  15.174 -13.163
   36   HD11  LEU   4          HD11      LEU   4  51.392  16.023 -10.847
   37   HD12  LEU   4          HD12      LEU   4  52.953  15.640 -11.665
   38   HD13  LEU   4          HD13      LEU   4  52.285  14.512 -10.423
   39   HD21  LEU   4          HD21      LEU   4  51.780  13.057 -14.009
   40   HD22  LEU   4          HD22      LEU   4  52.153  12.414 -12.365
   41   HD23  LEU   4          HD23      LEU   4  53.200  13.687 -13.097
   42    H    SER   5           HN       SER   5  46.337  13.596 -13.505
   43    HA   SER   5           HA       SER   5  45.409  12.134 -11.173
   44    HB2  SER   5           HB2      SER   5  43.864  13.463 -13.504
   45    HB3  SER   5           HB1      SER   5  43.079  12.675 -12.072
   46    HG   SER   5           HG       SER   5  45.050  14.649 -11.721
   47    H    LYS   6           HN       LYS   6  46.170  11.528 -14.550
   48    HA   LYS   6           HA       LYS   6  44.512   9.139 -14.724
   49    HB2  LYS   6           HB2      LYS   6  46.556  10.380 -16.671
   50    HB3  LYS   6           HB1      LYS   6  45.555   8.918 -17.023
   51    HG2  LYS   6           HG2      LYS   6  43.460  10.290 -16.723
   52    HG3  LYS   6           HG1      LYS   6  44.463  11.749 -16.405
   53    HD2  LYS   6           HD2      LYS   6  45.464  11.555 -18.697
   54    HD3  LYS   6           HD1      LYS   6  44.449  10.102 -19.010
   55    HE2  LYS   6           HE2      LYS   6  42.359  11.501 -18.756
   56    HE3  LYS   6           HE1      LYS   6  43.381  12.962 -18.429
   57    HZ1  LYS   6           HZ1      LYS   6  42.595  12.743 -20.727
   58    HZ2  LYS   6           HZ2      LYS   6  43.513  11.326 -20.911
   59    HZ3  LYS   6           HZ3      LYS   6  44.287  12.805 -20.602
   60    H    PHE   7           HN       PHE   7  47.656  10.116 -13.606
   61    HA   PHE   7           HA       PHE   7  49.101   7.675 -14.036
   62    HB2  PHE   7           HB2      PHE   7  49.481  10.273 -12.481
   63    HB3  PHE   7           HB1      PHE   7  50.449   8.855 -11.938
   64    HD1  PHE   7           HD1      PHE   7  49.670  10.880 -15.073
   65    HD2  PHE   7           HD2      PHE   7  52.525   8.493 -12.954
   66    HE1  PHE   7           HE1      PHE   7  51.370  11.407 -16.734
   67    HE2  PHE   7           HE2      PHE   7  54.198   9.044 -14.639
   68    HZ   PHE   7           HZ       PHE   7  53.630  10.496 -16.524
   69    H    PHE   8           HN       PHE   8  46.959   9.136 -11.737
   70    HA   PHE   8           HA       PHE   8  47.624   7.329  -9.601
   71    HB2  PHE   8           HB2      PHE   8  46.609  10.045 -10.040
   72    HB3  PHE   8           HB1      PHE   8  45.468   9.116  -8.998
   73    HD1  PHE   8           HD1      PHE   8  49.202   9.023  -9.349
   74    HD2  PHE   8           HD2      PHE   8  45.885   9.811  -6.751
   75    HE1  PHE   8           HE1      PHE   8  50.735   9.621  -7.583
   76    HE2  PHE   8           HE2      PHE   8  47.463  10.356  -4.945
   77    HZ   PHE   8           HZ       PHE   8  49.888  10.268  -5.352
   78    H    ARG   9           HN       ARG   9  45.522   7.586 -12.234
   79    HA   ARG   9           HA       ARG   9  43.458   6.025 -10.988
   80    HB2  ARG   9           HB2      ARG   9  42.981   7.791 -12.777
   81    HB3  ARG   9           HB1      ARG   9  44.060   6.928 -13.905
   82    HG2  ARG   9           HG2      ARG   9  41.799   6.503 -14.566
   83    HG3  ARG   9           HG1      ARG   9  42.468   4.979 -13.904
   84    HD2  ARG   9           HD2      ARG   9  41.233   5.339 -11.754
   85    HD3  ARG   9           HD1      ARG   9  40.595   6.924 -12.379
   86    HE   ARG   9           HE       ARG   9  39.866   5.017 -14.330
   87   HH11  ARG   9          HH11      ARG   9  39.252   5.418 -10.794
   88   HH12  ARG   9          HH12      ARG   9  37.718   4.616 -10.842
   89   HH21  ARG   9          HH21      ARG   9  37.798   3.944 -14.330
   90   HH22  ARG   9          HH22      ARG   9  36.888   3.773 -12.866
   91    H    ASP  10           HN       ASP  10  46.484   5.669 -12.837
   92    HA   ASP  10           HA       ASP  10  45.813   2.875 -13.345
   93    HB2  ASP  10           HB2      ASP  10  48.388   4.466 -13.966
   94    HB3  ASP  10           HB1      ASP  10  48.098   2.759 -14.470
   95    H    PHE  11           HN       PHE  11  47.677   4.784 -10.996
   96    HA   PHE  11           HA       PHE  11  49.048   2.452 -10.134
   97    HB2  PHE  11           HB2      PHE  11  50.699   3.879  -9.594
   98    HB3  PHE  11           HB1      PHE  11  49.613   5.239 -10.016
   99    HD1  PHE  11           HD1      PHE  11  50.624   3.039  -7.054
  100    HD2  PHE  11           HD2      PHE  11  48.749   6.543  -8.523
  101    HE1  PHE  11           HE1      PHE  11  50.187   3.814  -4.775
  102    HE2  PHE  11           HE2      PHE  11  48.352   7.282  -6.306
  103    HZ   PHE  11           HZ       PHE  11  48.996   5.952  -4.407
  104    H    ILE  12           HN       ILE  12  46.416   4.387  -8.742
  105    HA   ILE  12           HA       ILE  12  46.439   2.977  -6.303
  106    HB   ILE  12           HB       ILE  12  44.415   4.610  -7.815
  107   HG12  ILE  12          HG12      ILE  12  46.120   5.122  -5.327
  108   HG13  ILE  12          HG11      ILE  12  46.472   5.576  -7.027
  109   HG21  ILE  12          HG21      ILE  12  43.106   4.694  -5.491
  110   HG22  ILE  12          HG22      ILE  12  44.058   3.242  -5.016
  111   HG23  ILE  12          HG23      ILE  12  42.933   3.166  -6.421
  112   HD11  ILE  12          HD11      ILE  12  44.100   6.618  -5.422
  113   HD12  ILE  12          HD12      ILE  12  44.543   7.048  -7.125
  114   HD13  ILE  12          HD13      ILE  12  45.659   7.467  -5.744
  115    H    LEU  13           HN       LEU  13  44.953   2.439  -9.462
  116    HA   LEU  13           HA       LEU  13  43.007   0.579  -8.508
  117    HB2  LEU  13           HB2      LEU  13  44.112   1.494 -11.151
  118    HB3  LEU  13           HB1      LEU  13  42.925   0.142 -11.111
  119    HG   LEU  13           HG       LEU  13  42.051   2.485 -11.570
  120   HD11  LEU  13          HD11      LEU  13  40.676   1.057  -9.231
  121   HD12  LEU  13          HD12      LEU  13  40.533   0.618 -10.972
  122   HD13  LEU  13          HD13      LEU  13  39.905   2.203 -10.388
  123   HD21  LEU  13          HD21      LEU  13  43.371   3.776  -9.779
  124   HD22  LEU  13          HD22      LEU  13  42.214   3.119  -8.550
  125   HD23  LEU  13          HD23      LEU  13  41.611   4.166  -9.876
  126    H    GLN  14           HN       GLN  14  46.363   0.255  -9.583
  127    HA   GLN  14           HA       GLN  14  46.205  -2.625  -9.930
  128    HB2  GLN  14           HB2      GLN  14  48.569  -0.657  -9.836
  129    HB3  GLN  14           HB1      GLN  14  48.789  -2.437 -10.050
  130    HG2  GLN  14           HG2      GLN  14  47.545  -2.413 -12.179
  131    HG3  GLN  14           HG1      GLN  14  47.085  -0.682 -11.945
  132   HE21  GLN  14          HE21      GLN  14  48.205  -0.082 -14.005
  133   HE22  GLN  14          HE22      GLN  14  49.930   0.013 -14.072
  134    H    ARG  15           HN       ARG  15  46.368  -0.574  -7.129
  135    HA   ARG  15           HA       ARG  15  47.835  -2.600  -5.577
  136    HB2  ARG  15           HB2      ARG  15  47.252   0.347  -5.010
  137    HB3  ARG  15           HB1      ARG  15  47.953  -0.788  -3.788
  138    HG2  ARG  15           HG2      ARG  15  49.800  -1.333  -5.463
  139    HG3  ARG  15           HG1      ARG  15  49.165  -0.013  -6.512
  140    HD2  ARG  15           HD2      ARG  15  49.517   1.615  -4.592
  141    HD3  ARG  15           HD1      ARG  15  50.268   0.252  -3.649
  142    HE   ARG  15           HE       ARG  15  51.548   0.457  -6.247
  143   HH11  ARG  15          HH11      ARG  15  51.415   2.145  -3.062
  144   HH12  ARG  15          HH12      ARG  15  52.965   2.894  -3.251
  145   HH21  ARG  15          HH21      ARG  15  53.624   1.497  -6.451
  146   HH22  ARG  15          HH22      ARG  15  54.228   2.522  -5.194
  147    H    LYS  16           HN       LYS  16  45.039  -2.957  -6.549
  148    HA   LYS  16           HA       LYS  16  43.556  -2.844  -4.007
  149    HB2  LYS  16           HB2      LYS  16  42.581  -3.217  -6.895
  150    HB3  LYS  16           HB1      LYS  16  41.535  -3.331  -5.426
  151    HG2  LYS  16           HG2      LYS  16  42.523  -0.896  -4.889
  152    HG3  LYS  16           HG1      LYS  16  42.919  -0.890  -6.642
  153    HD2  LYS  16           HD2      LYS  16  40.527  -1.343  -7.191
  154    HD3  LYS  16           HD1      LYS  16  40.147  -1.403  -5.432
  155    HE2  LYS  16           HE2      LYS  16  40.815   1.023  -5.201
  156    HE3  LYS  16           HE1      LYS  16  41.197   1.083  -6.971
  157    HZ1  LYS  16           HZ1      LYS  16  38.864   0.441  -7.368
  158    HZ2  LYS  16           HZ2      LYS  16  39.040   1.940  -6.591
  159    HZ3  LYS  16           HZ3      LYS  16  38.552   0.576  -5.705
  160    H    LYS  17           HN       LYS  17  45.328  -4.527  -3.541
  161    HA   LYS  17           HA       LYS  17  45.209  -7.034  -4.803
  162    HB2  LYS  17           HB2      LYS  17  46.184  -6.266  -1.972
  163    HB3  LYS  17           HB1      LYS  17  46.554  -7.822  -2.805
  164    HG2  LYS  17           HG2      LYS  17  47.807  -6.601  -4.585
  165    HG3  LYS  17           HG1      LYS  17  47.404  -5.024  -3.821
  166    HD2  LYS  17           HD2      LYS  17  48.639  -5.712  -1.748
  167    HD3  LYS  17           HD1      LYS  17  49.054  -7.283  -2.509
  168    HE2  LYS  17           HE2      LYS  17  51.018  -5.837  -2.713
  169    HE3  LYS  17           HE1      LYS  17  50.291  -5.946  -4.365
  170    HZ1  LYS  17           HZ1      LYS  17  49.996  -3.715  -2.412
  171    HZ2  LYS  17           HZ2      LYS  17  49.190  -3.815  -3.903
  172    HZ3  LYS  17           HZ3      LYS  17  50.884  -3.712  -3.859
  Start of MODEL   19
    1    H1   GLU   1           HT1      GLU   1  51.337  23.513 -17.737
    2    H2   GLU   1           HT2      GLU   1  51.912  22.772 -16.320
    3    H3   GLU   1           HT3      GLU   1  50.740  23.998 -16.222
    4    HA   GLU   1           HA       GLU   1  49.447  22.193 -15.951
    5    HB2  GLU   1           HB2      GLU   1  49.660  22.704 -18.992
    6    HB3  GLU   1           HB1      GLU   1  48.443  21.552 -18.323
    7    HG2  GLU   1           HG2      GLU   1  47.424  23.407 -16.936
    8    HG3  GLU   1           HG1      GLU   1  48.635  24.572 -17.601
    9    H    MET   2           HN       MET   2  49.661  20.081 -15.339
   10    HA   MET   2           HA       MET   2  51.251  18.294 -17.073
   11    HB2  MET   2           HB2      MET   2  51.244  18.426 -13.978
   12    HB3  MET   2           HB1      MET   2  51.965  17.075 -14.927
   13    HG2  MET   2           HG2      MET   2  53.511  18.772 -16.042
   14    HG3  MET   2           HG1      MET   2  52.864  20.025 -14.936
   15    HE1  MET   2           HE1      MET   2  54.245  19.321 -11.479
   16    HE2  MET   2           HE2      MET   2  52.601  18.874 -12.048
   17    HE3  MET   2           HE3      MET   2  53.365  20.398 -12.620
   18    H    ARG   3           HN       ARG   3  50.463  16.105 -17.169
   19    HA   ARG   3           HA       ARG   3  47.763  15.733 -16.014
   20    HB2  ARG   3           HB2      ARG   3  48.838  14.782 -18.762
   21    HB3  ARG   3           HB1      ARG   3  47.255  14.284 -18.056
   22    HG2  ARG   3           HG2      ARG   3  46.425  16.617 -18.146
   23    HG3  ARG   3           HG1      ARG   3  48.024  17.211 -18.696
   24    HD2  ARG   3           HD2      ARG   3  46.551  17.107 -20.659
   25    HD3  ARG   3           HD1      ARG   3  47.752  15.752 -20.822
   26    HE   ARG   3           HE       ARG   3  45.398  14.758 -19.455
   27   HH11  ARG   3          HH11      ARG   3  46.401  15.914 -22.726
   28   HH12  ARG   3          HH12      ARG   3  45.247  14.934 -23.568
   29   HH21  ARG   3          HH21      ARG   3  43.861  13.456 -20.647
   30   HH22  ARG   3          HH22      ARG   3  43.793  13.528 -22.376
   31    H    LEU   4           HN       LEU   4  48.182  14.409 -14.266
   32    HA   LEU   4           HA       LEU   4  49.586  11.893 -14.828
   33    HB2  LEU   4           HB2      LEU   4  50.025  13.739 -12.386
   34    HB3  LEU   4           HB1      LEU   4  50.527  12.013 -12.396
   35    HG   LEU   4           HG       LEU   4  51.588  14.106 -14.400
   36   HD11  LEU   4          HD11      LEU   4  52.916  13.145 -11.774
   37   HD12  LEU   4          HD12      LEU   4  52.217  14.782 -12.077
   38   HD13  LEU   4          HD13      LEU   4  53.660  14.233 -13.009
   39   HD21  LEU   4          HD21      LEU   4  53.525  12.380 -14.624
   40   HD22  LEU   4          HD22      LEU   4  51.949  11.883 -15.333
   41   HD23  LEU   4          HD23      LEU   4  52.470  11.209 -13.742
   42    H    SER   5           HN       SER   5  46.686  12.844 -14.725
   43    HA   SER   5           HA       SER   5  45.712  11.771 -12.225
   44    HB2  SER   5           HB2      SER   5  44.220  12.833 -14.714
   45    HB3  SER   5           HB1      SER   5  43.399  12.275 -13.197
   46    HG   SER   5           HG       SER   5  45.446  14.055 -12.794
   47    H    LYS   6           HN       LYS   6  46.050  10.673 -15.646
   48    HA   LYS   6           HA       LYS   6  44.357   8.339 -15.210
   49    HB2  LYS   6           HB2      LYS   6  46.183   9.146 -17.564
   50    HB3  LYS   6           HB1      LYS   6  45.150   7.668 -17.539
   51    HG2  LYS   6           HG2      LYS   6  43.102   9.120 -17.282
   52    HG3  LYS   6           HG1      LYS   6  44.143  10.586 -17.360
   53    HD2  LYS   6           HD2      LYS   6  44.905   9.920 -19.658
   54    HD3  LYS   6           HD1      LYS   6  43.868   8.452 -19.574
   55    HE2  LYS   6           HE2      LYS   6  41.809   9.909 -19.423
   56    HE3  LYS   6           HE1      LYS   6  42.853  11.388 -19.500
   57    HZ1  LYS   6           HZ1      LYS   6  43.665  10.534 -21.661
   58    HZ2  LYS   6           HZ2      LYS   6  42.012  10.920 -21.638
   59    HZ3  LYS   6           HZ3      LYS   6  42.505   9.296 -21.586
   60    H    PHE   7           HN       PHE   7  47.649   9.263 -14.610
   61    HA   PHE   7           HA       PHE   7  48.959   6.755 -14.963
   62    HB2  PHE   7           HB2      PHE   7  49.564   9.444 -13.627
   63    HB3  PHE   7           HB1      PHE   7  50.617   8.032 -13.211
   64    HD1  PHE   7           HD1      PHE   7  49.335  10.026 -16.194
   65    HD2  PHE   7           HD2      PHE   7  52.447   7.543 -14.617
   66    HE1  PHE   7           HE1      PHE   7  50.708  10.471 -18.157
   67    HE2  PHE   7           HE2      PHE   7  53.790   8.013 -16.599
   68    HZ   PHE   7           HZ       PHE   7  52.930   9.471 -18.366
   69    H    PHE   8           HN       PHE   8  47.264   8.510 -12.451
   70    HA   PHE   8           HA       PHE   8  48.116   6.712 -10.366
   71    HB2  PHE   8           HB2      PHE   8  47.320   9.502 -10.769
   72    HB3  PHE   8           HB1      PHE   8  46.281   8.740  -9.509
   73    HD1  PHE   8           HD1      PHE   8  49.875   8.195 -10.432
   74    HD2  PHE   8           HD2      PHE   8  47.139   9.509  -7.406
   75    HE1  PHE   8           HE1      PHE   8  51.735   8.709  -8.976
   76    HE2  PHE   8           HE2      PHE   8  49.041   9.959  -5.913
   77    HZ   PHE   8           HZ       PHE   8  51.342   9.567  -6.689
   78    H    ARG   9           HN       ARG   9  45.583   7.115 -12.579
   79    HA   ARG   9           HA       ARG   9  43.616   5.866 -10.906
   80    HB2  ARG   9           HB2      ARG   9  43.164   7.595 -12.745
   81    HB3  ARG   9           HB1      ARG   9  43.758   6.415 -13.953
   82    HG2  ARG   9           HG2      ARG   9  41.889   4.882 -13.360
   83    HG3  ARG   9           HG1      ARG   9  41.321   6.046 -12.121
   84    HD2  ARG   9           HD2      ARG   9  39.928   6.442 -14.052
   85    HD3  ARG   9           HD1      ARG   9  41.156   7.782 -14.055
   86    HE   ARG   9           HE       ARG   9  42.158   5.557 -15.629
   87   HH11  ARG   9          HH11      ARG   9  39.683   8.180 -15.794
   88   HH12  ARG   9          HH12      ARG   9  39.683   8.243 -17.525
   89   HH21  ARG   9          HH21      ARG   9  42.114   5.689 -17.958
   90   HH22  ARG   9          HH22      ARG   9  41.073   6.816 -18.762
   91    H    ASP  10           HN       ASP  10  46.084   5.028 -13.352
   92    HA   ASP  10           HA       ASP  10  45.027   2.310 -13.412
   93    HB2  ASP  10           HB2      ASP  10  47.543   3.531 -14.728
   94    HB3  ASP  10           HB1      ASP  10  47.011   1.825 -14.967
   95    H    PHE  11           HN       PHE  11  47.539   4.106 -11.634
   96    HA   PHE  11           HA       PHE  11  48.767   1.657 -10.897
   97    HB2  PHE  11           HB2      PHE  11  50.652   2.878 -10.725
   98    HB3  PHE  11           HB1      PHE  11  49.679   4.351 -11.019
   99    HD1  PHE  11           HD1      PHE  11  50.882   2.109  -8.146
  100    HD2  PHE  11           HD2      PHE  11  49.319   5.819  -9.479
  101    HE1  PHE  11           HE1      PHE  11  50.960   3.006  -5.870
  102    HE2  PHE  11           HE2      PHE  11  49.417   6.682  -7.272
  103    HZ   PHE  11           HZ       PHE  11  50.175   5.322  -5.429
  104    H    ILE  12           HN       ILE  12  46.715   3.960  -9.136
  105    HA   ILE  12           HA       ILE  12  47.038   2.635  -6.673
  106    HB   ILE  12           HB       ILE  12  44.950   4.440  -7.878
  107   HG12  ILE  12          HG12      ILE  12  47.116   4.895  -5.768
  108   HG13  ILE  12          HG11      ILE  12  47.228   5.190  -7.536
  109   HG21  ILE  12          HG21      ILE  12  43.627   3.238  -6.129
  110   HG22  ILE  12          HG22      ILE  12  44.135   4.775  -5.357
  111   HG23  ILE  12          HG23      ILE  12  45.013   3.251  -4.974
  112   HD11  ILE  12          HD11      ILE  12  46.814   7.247  -6.304
  113   HD12  ILE  12          HD12      ILE  12  45.252   6.595  -5.680
  114   HD13  ILE  12          HD13      ILE  12  45.465   6.868  -7.463
  115    H    LEU  13           HN       LEU  13  44.867   2.210  -9.437
  116    HA   LEU  13           HA       LEU  13  42.942   0.676  -7.996
  117    HB2  LEU  13           HB2      LEU  13  43.550   1.340 -10.865
  118    HB3  LEU  13           HB1      LEU  13  42.234   0.176 -10.489
  119    HG   LEU  13           HG       LEU  13  41.562   2.576 -10.915
  120   HD11  LEU  13          HD11      LEU  13  40.050   0.940  -9.744
  121   HD12  LEU  13          HD12      LEU  13  39.735   2.654  -9.282
  122   HD13  LEU  13          HD13      LEU  13  40.637   1.569  -8.157
  123   HD21  LEU  13          HD21      LEU  13  43.455   3.735  -9.564
  124   HD22  LEU  13          HD22      LEU  13  42.484   3.383  -8.079
  125   HD23  LEU  13          HD23      LEU  13  41.792   4.414  -9.382
  126    H    GLN  14           HN       GLN  14  45.737  -0.219 -10.108
  127    HA   GLN  14           HA       GLN  14  45.042  -2.993 -10.158
  128    HB2  GLN  14           HB2      GLN  14  47.687  -1.575 -10.815
  129    HB3  GLN  14           HB1      GLN  14  47.446  -3.356 -11.002
  130    HG2  GLN  14           HG2      GLN  14  45.502  -2.878 -12.598
  131    HG3  GLN  14           HG1      GLN  14  45.894  -1.119 -12.483
  132   HE21  GLN  14          HE21      GLN  14  47.985  -0.342 -13.431
  133   HE22  GLN  14          HE22      GLN  14  48.856  -1.318 -14.565
  134    H    ARG  15           HN       ARG  15  46.734  -1.041  -7.688
  135    HA   ARG  15           HA       ARG  15  48.322  -3.091  -6.597
  136    HB2  ARG  15           HB2      ARG  15  47.174  -0.508  -5.471
  137    HB3  ARG  15           HB1      ARG  15  48.168  -1.610  -4.456
  138    HG2  ARG  15           HG2      ARG  15  49.521  -1.112  -7.050
  139    HG3  ARG  15           HG1      ARG  15  49.061   0.437  -6.275
  140    HD2  ARG  15           HD2      ARG  15  51.329  -0.194  -5.558
  141    HD3  ARG  15           HD1      ARG  15  50.203  -0.325  -4.146
  142    HE   ARG  15           HE       ARG  15  50.567  -2.865  -5.631
  143   HH11  ARG  15          HH11      ARG  15  51.920  -0.794  -2.991
  144   HH12  ARG  15          HH12      ARG  15  52.644  -2.124  -2.150
  145   HH21  ARG  15          HH21      ARG  15  51.553  -4.611  -4.440
  146   HH22  ARG  15          HH22      ARG  15  52.432  -4.305  -2.979
  147    H    LYS  16           HN       LYS  16  44.971  -2.062  -5.956
  148    HA   LYS  16           HA       LYS  16  43.247  -2.866  -4.946
  149    HB2  LYS  16           HB2      LYS  16  44.672  -5.574  -5.104
  150    HB3  LYS  16           HB1      LYS  16  42.960  -5.368  -4.623
  151    HG2  LYS  16           HG2      LYS  16  44.098  -4.559  -7.381
  152    HG3  LYS  16           HG1      LYS  16  43.384  -6.163  -7.023
  153    HD2  LYS  16           HD2      LYS  16  41.197  -5.001  -6.402
  154    HD3  LYS  16           HD1      LYS  16  41.926  -3.430  -6.886
  155    HE2  LYS  16           HE2      LYS  16  42.221  -4.270  -9.241
  156    HE3  LYS  16           HE1      LYS  16  41.513  -5.869  -8.763
  157    HZ1  LYS  16           HZ1      LYS  16  39.832  -3.704  -7.987
  158    HZ2  LYS  16           HZ2      LYS  16  39.507  -5.043  -8.981
  159    HZ3  LYS  16           HZ3      LYS  16  40.184  -3.634  -9.647
  160    H    LYS  17           HN       LYS  17  44.642  -1.402  -3.396
  161    HA   LYS  17           HA       LYS  17  45.804  -2.651  -1.192
  162    HB2  LYS  17           HB2      LYS  17  44.675   0.193  -1.541
  163    HB3  LYS  17           HB1      LYS  17  45.625  -0.332  -0.101
  164    HG2  LYS  17           HG2      LYS  17  47.590  -0.840  -1.575
  165    HG3  LYS  17           HG1      LYS  17  46.642  -0.333  -3.014
  166    HD2  LYS  17           HD2      LYS  17  46.421   1.964  -2.093
  167    HD3  LYS  17           HD1      LYS  17  47.342   1.486  -0.622
  168    HE2  LYS  17           HE2      LYS  17  49.375   1.012  -2.061
  169    HE3  LYS  17           HE1      LYS  17  48.438   1.512  -3.530
  170    HZ1  LYS  17           HZ1      LYS  17  48.478   3.674  -2.905
  171    HZ2  LYS  17           HZ2      LYS  17  49.959   3.163  -2.249
  172    HZ3  LYS  17           HZ3      LYS  17  48.605   3.354  -1.242
  Start of MODEL   20
    1    H1   GLU   1           HT1      GLU   1  46.027  19.616 -17.752
    2    H2   GLU   1           HT2      GLU   1  46.358  21.108 -18.494
    3    H3   GLU   1           HT3      GLU   1  44.996  20.941 -17.494
    4    HA   GLU   1           HA       GLU   1  47.159  22.057 -16.652
    5    HB2  GLU   1           HB2      GLU   1  45.349  20.086 -15.108
    6    HB3  GLU   1           HB1      GLU   1  46.624  21.036 -14.257
    7    HG2  GLU   1           HG2      GLU   1  45.557  23.195 -15.027
    8    HG3  GLU   1           HG1      GLU   1  44.270  22.257 -15.882
    9    H    MET   2           HN       MET   2  46.816  18.481 -15.873
   10    HA   MET   2           HA       MET   2  49.740  18.239 -16.184
   11    HB2  MET   2           HB2      MET   2  48.006  17.009 -13.931
   12    HB3  MET   2           HB1      MET   2  49.711  16.539 -14.267
   13    HG2  MET   2           HG2      MET   2  50.458  18.870 -13.759
   14    HG3  MET   2           HG1      MET   2  48.761  19.352 -13.433
   15    HE1  MET   2           HE1      MET   2  50.427  19.499  -9.916
   16    HE2  MET   2           HE2      MET   2  49.481  20.355 -11.182
   17    HE3  MET   2           HE3      MET   2  51.180  19.865 -11.507
   18    H    ARG   3           HN       ARG   3  50.445  16.109 -16.886
   19    HA   ARG   3           HA       ARG   3  48.276  14.538 -18.151
   20    HB2  ARG   3           HB2      ARG   3  51.235  14.896 -18.993
   21    HB3  ARG   3           HB1      ARG   3  50.086  13.751 -19.780
   22    HG2  ARG   3           HG2      ARG   3  48.629  15.689 -20.459
   23    HG3  ARG   3           HG1      ARG   3  49.805  16.827 -19.706
   24    HD2  ARG   3           HD2      ARG   3  51.604  16.039 -21.309
   25    HD3  ARG   3           HD1      ARG   3  50.404  14.903 -22.077
   26    HE   ARG   3           HE       ARG   3  49.280  17.563 -22.079
   27   HH11  ARG   3          HH11      ARG   3  51.960  15.716 -23.641
   28   HH12  ARG   3          HH12      ARG   3  51.953  16.673 -25.085
   29   HH21  ARG   3          HH21      ARG   3  49.316  18.822 -24.054
   30   HH22  ARG   3          HH22      ARG   3  50.439  18.451 -25.318
   31    H    LEU   4           HN       LEU   4  49.648  14.495 -15.305
   32    HA   LEU   4           HA       LEU   4  50.751  11.766 -15.433
   33    HB2  LEU   4           HB2      LEU   4  51.028  13.950 -13.270
   34    HB3  LEU   4           HB1      LEU   4  51.700  12.288 -13.114
   35    HG   LEU   4           HG       LEU   4  52.524  14.289 -15.321
   36   HD11  LEU   4          HD11      LEU   4  54.617  14.677 -14.019
   37   HD12  LEU   4          HD12      LEU   4  54.005  13.620 -12.689
   38   HD13  LEU   4          HD13      LEU   4  53.163  15.169 -13.072
   39   HD21  LEU   4          HD21      LEU   4  53.101  12.128 -16.188
   40   HD22  LEU   4          HD22      LEU   4  53.550  11.476 -14.566
   41   HD23  LEU   4          HD23      LEU   4  54.626  12.667 -15.391
   42    H    SER   5           HN       SER   5  47.749  12.862 -15.331
   43    HA   SER   5           HA       SER   5  46.924  11.838 -12.756
   44    HB2  SER   5           HB2      SER   5  44.592  12.473 -13.448
   45    HB3  SER   5           HB1      SER   5  45.743  13.845 -13.649
   46    HG   SER   5           HG       SER   5  45.459  12.164 -15.833
   47    H    LYS   6           HN       LYS   6  47.429  10.473 -15.970
   48    HA   LYS   6           HA       LYS   6  45.481   8.319 -15.573
   49    HB2  LYS   6           HB2      LYS   6  47.628   8.776 -17.753
   50    HB3  LYS   6           HB1      LYS   6  46.455   7.405 -17.740
   51    HG2  LYS   6           HG2      LYS   6  44.546   9.049 -17.864
   52    HG3  LYS   6           HG1      LYS   6  45.726  10.407 -17.911
   53    HD2  LYS   6           HD2      LYS   6  46.700   9.482 -20.037
   54    HD3  LYS   6           HD1      LYS   6  45.514   8.130 -19.987
   55    HE2  LYS   6           HE2      LYS   6  43.615   9.779 -20.219
   56    HE3  LYS   6           HE1      LYS   6  44.805  11.146 -20.251
   57    HZ1  LYS   6           HZ1      LYS   6  44.185   9.129 -22.281
   58    HZ2  LYS   6           HZ2      LYS   6  45.791   9.671 -22.181
   59    HZ3  LYS   6           HZ3      LYS   6  44.533  10.783 -22.436
   60    H    PHE   7           HN       PHE   7  48.790   9.109 -14.766
   61    HA   PHE   7           HA       PHE   7  49.912   6.475 -14.704
   62    HB2  PHE   7           HB2      PHE   7  50.694   9.261 -13.669
   63    HB3  PHE   7           HB1      PHE   7  51.613   7.822 -13.079
   64    HD1  PHE   7           HD1      PHE   7  50.607   9.643 -16.258
   65    HD2  PHE   7           HD2      PHE   7  53.406   7.000 -14.390
   66    HE1  PHE   7           HE1      PHE   7  52.067   9.788 -18.206
   67    HE2  PHE   7           HE2      PHE   7  54.839   7.165 -16.359
   68    HZ   PHE   7           HZ       PHE   7  54.178   8.553 -18.264
   69    H    PHE   8           HN       PHE   8  48.201   8.686 -12.608
   70    HA   PHE   8           HA       PHE   8  48.810   7.196 -10.219
   71    HB2  PHE   8           HB2      PHE   8  48.200   9.927 -11.092
   72    HB3  PHE   8           HB1      PHE   8  47.042   9.414  -9.807
   73    HD1  PHE   8           HD1      PHE   8  50.644   8.537 -10.368
   74    HD2  PHE   8           HD2      PHE   8  47.815  10.485  -7.802
   75    HE1  PHE   8           HE1      PHE   8  52.441   9.192  -8.888
   76    HE2  PHE   8           HE2      PHE   8  49.646  11.078  -6.270
   77    HZ   PHE   8           HZ       PHE   8  51.961  10.441  -6.804
   78    H    ARG   9           HN       ARG   9  46.421   7.395 -12.648
   79    HA   ARG   9           HA       ARG   9  44.323   6.475 -10.937
   80    HB2  ARG   9           HB2      ARG   9  44.001   7.838 -13.117
   81    HB3  ARG   9           HB1      ARG   9  44.587   6.423 -14.041
   82    HG2  ARG   9           HG2      ARG   9  42.357   5.830 -12.137
   83    HG3  ARG   9           HG1      ARG   9  41.931   7.024 -13.407
   84    HD2  ARG   9           HD2      ARG   9  43.219   4.287 -14.059
   85    HD3  ARG   9           HD1      ARG   9  41.422   4.505 -13.897
   86    HE   ARG   9           HE       ARG   9  42.382   6.521 -15.713
   87   HH11  ARG   9          HH11      ARG   9  42.070   2.926 -15.588
   88   HH12  ARG   9          HH12      ARG   9  41.936   2.749 -17.306
   89   HH21  ARG   9          HH21      ARG   9  42.199   6.220 -18.027
   90   HH22  ARG   9          HH22      ARG   9  42.010   4.635 -18.700
   91    H    ASP  10           HN       ASP  10  46.955   5.115 -12.994
   92    HA   ASP  10           HA       ASP  10  45.653   2.524 -12.678
   93    HB2  ASP  10           HB2      ASP  10  48.275   3.320 -14.105
   94    HB3  ASP  10           HB1      ASP  10  47.645   1.632 -14.056
   95    H    PHE  11           HN       PHE  11  48.052   4.431 -10.972
   96    HA   PHE  11           HA       PHE  11  49.172   2.062  -9.852
   97    HB2  PHE  11           HB2      PHE  11  51.110   3.214  -9.792
   98    HB3  PHE  11           HB1      PHE  11  50.224   4.657 -10.370
   99    HD1  PHE  11           HD1      PHE  11  51.223   2.880  -7.129
  100    HD2  PHE  11           HD2      PHE  11  49.855   6.372  -9.108
  101    HE1  PHE  11           HE1      PHE  11  51.264   4.132  -5.033
  102    HE2  PHE  11           HE2      PHE  11  49.907   7.581  -7.066
  103    HZ   PHE  11           HZ       PHE  11  50.550   6.514  -5.001
  104    H    ILE  12           HN       ILE  12  47.141   4.698  -8.643
  105    HA   ILE  12           HA       ILE  12  47.229   3.806  -5.963
  106    HB   ILE  12           HB       ILE  12  45.374   5.515  -7.604
  107   HG12  ILE  12          HG12      ILE  12  47.435   6.172  -5.447
  108   HG13  ILE  12          HG11      ILE  12  47.677   6.142  -7.226
  109   HG21  ILE  12          HG21      ILE  12  43.850   4.732  -5.781
  110   HG22  ILE  12          HG22      ILE  12  44.434   6.341  -5.247
  111   HG23  ILE  12          HG23      ILE  12  45.158   4.848  -4.544
  112   HD11  ILE  12          HD11      ILE  12  47.368   8.403  -6.401
  113   HD12  ILE  12          HD12      ILE  12  45.720   7.987  -5.792
  114   HD13  ILE  12          HD13      ILE  12  46.064   7.918  -7.573
  115    H    LEU  13           HN       LEU  13  45.232   3.035  -8.768
  116    HA   LEU  13           HA       LEU  13  43.093   1.903  -7.245
  117    HB2  LEU  13           HB2      LEU  13  43.938   2.036 -10.128
  118    HB3  LEU  13           HB1      LEU  13  42.510   1.045  -9.669
  119    HG   LEU  13           HG       LEU  13  42.067   3.376 -10.534
  120   HD11  LEU  13          HD11      LEU  13  40.150   3.868  -9.075
  121   HD12  LEU  13          HD12      LEU  13  40.882   2.913  -7.729
  122   HD13  LEU  13          HD13      LEU  13  40.344   2.082  -9.239
  123   HD21  LEU  13          HD21      LEU  13  43.946   4.624  -9.261
  124   HD22  LEU  13          HD22      LEU  13  42.867   4.587  -7.809
  125   HD23  LEU  13          HD23      LEU  13  42.331   5.429  -9.307
  126    H    GLN  14           HN       GLN  14  46.020   0.542  -8.780
  127    HA   GLN  14           HA       GLN  14  45.122  -2.186  -8.553
  128    HB2  GLN  14           HB2      GLN  14  47.885  -1.003  -9.197
  129    HB3  GLN  14           HB1      GLN  14  47.537  -2.776  -9.197
  130    HG2  GLN  14           HG2      GLN  14  45.788  -2.443 -10.987
  131    HG3  GLN  14           HG1      GLN  14  46.141  -0.669 -10.989
  132   HE21  GLN  14          HE21      GLN  14  46.570  -1.362 -13.427
  133   HE22  GLN  14          HE22      GLN  14  48.199  -1.793 -13.817
  134    H    ARG  15           HN       ARG  15  45.922  -0.166  -5.968
  135    HA   ARG  15           HA       ARG  15  47.819  -1.722  -4.569
  136    HB2  ARG  15           HB2      ARG  15  45.747   0.279  -3.581
  137    HB3  ARG  15           HB1      ARG  15  46.908  -0.554  -2.477
  138    HG2  ARG  15           HG2      ARG  15  48.798   0.362  -4.006
  139    HG3  ARG  15           HG1      ARG  15  47.533   1.381  -4.782
  140    HD2  ARG  15           HD2      ARG  15  46.980   2.402  -2.535
  141    HD3  ARG  15           HD1      ARG  15  48.268   1.363  -1.780
  142    HE   ARG  15           HE       ARG  15  49.410   2.913  -3.963
  143   HH11  ARG  15          HH11      ARG  15  48.175   3.307  -0.590
  144   HH12  ARG  15          HH12      ARG  15  49.171   4.681  -0.244
  145   HH21  ARG  15          HH21      ARG  15  50.734   4.786  -3.429
  146   HH22  ARG  15          HH22      ARG  15  50.629   5.524  -1.866
  147    H    LYS  16           HN       LYS  16  44.251  -1.892  -4.742
  148    HA   LYS  16           HA       LYS  16  44.341  -4.216  -2.932
  149    HB2  LYS  16           HB2      LYS  16  42.138  -2.120  -3.409
  150    HB3  LYS  16           HB1      LYS  16  41.774  -3.716  -2.666
  151    HG2  LYS  16           HG2      LYS  16  43.946  -1.885  -1.468
  152    HG3  LYS  16           HG1      LYS  16  42.207  -1.597  -1.131
  153    HD2  LYS  16           HD2      LYS  16  42.021  -3.991  -0.267
  154    HD3  LYS  16           HD1      LYS  16  43.785  -4.196  -0.517
  155    HE2  LYS  16           HE2      LYS  16  42.608  -1.986   1.318
  156    HE3  LYS  16           HE1      LYS  16  43.019  -3.646   1.905
  157    HZ1  LYS  16           HZ1      LYS  16  44.762  -1.957   2.223
  158    HZ2  LYS  16           HZ2      LYS  16  44.943  -1.831   0.539
  159    HZ3  LYS  16           HZ3      LYS  16  45.274  -3.301   1.321
  160    H    LYS  17           HN       LYS  17  43.684  -3.002  -6.215
  161    HA   LYS  17           HA       LYS  17  41.982  -5.278  -6.781
  162    HB2  LYS  17           HB2      LYS  17  43.078  -3.005  -8.533
  163    HB3  LYS  17           HB1      LYS  17  42.083  -4.354  -9.190
  164    HG2  LYS  17           HG2      LYS  17  40.183  -3.712  -7.714
  165    HG3  LYS  17           HG1      LYS  17  41.167  -2.394  -6.981
  166    HD2  LYS  17           HD2      LYS  17  41.361  -1.280  -9.193
  167    HD3  LYS  17           HD1      LYS  17  40.410  -2.598  -9.970
  168    HE2  LYS  17           HE2      LYS  17  38.407  -1.978  -8.537
  169    HE3  LYS  17           HE1      LYS  17  39.373  -0.641  -7.788
  170    HZ1  LYS  17           HZ1      LYS  17  38.156   0.330  -9.474
  171    HZ2  LYS  17           HZ2      LYS  17  38.437  -0.922 -10.585
  172    HZ3  LYS  17           HZ3      LYS  17  39.695   0.137 -10.166