*HEADER    SIGNALING PROTEIN                       12-MAR-18   6COP              
*TITLE     CSP1-R3A                                                              
*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;                                                     
*COMPND   7 MUTATION: 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 6COP    0                                                
# Restraints file 1: CSP1R3A_NOErestraint.tbl
assign (resid   2 and name HA  ) (resid   2 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid   2 and name HA  ) (resid   2 and (name HB2 or name HB1  )) 2.7  0.9  0.9
assign (resid   2 and name HA  ) (resid   2 and name HG#  )  2.5  0.9  0.9
assign (resid   2 and (name HB1 or name HB2  )) (resid   2 and name HG#  )  2.3  0.8  0.8
assign (resid   2 and name HA  ) (resid   3 and name HB#  )  2.5  0.9  1.0
assign (resid   2 and name HA  ) (resid   3 and name HN  )  2.4  0.8  0.8
assign (resid   2 and (name HB1 or name HB2  )) (resid   3 and name HA  )  2.5  0.9  1.0
assign (resid   2 and (name HB1 or name HB2  )) (resid   3 and name HB#  )  2.6  0.9  1.3
assign (resid   2 and (name HB1 or name HB2  )) (resid   3 and name HN  )  2.5  0.9  0.9
assign (resid   2 and (name HB2 or name HB1  )) (resid   3 and name HA  )  2.6  0.9  0.9
assign (resid   2 and (name HB2 or name HB1  )) (resid   3 and name HN  )  2.6  0.9  0.9
assign (resid   2 and name HG#  ) (resid   3 and name HN  )  2.6  0.9  0.9
assign (resid   2 and (name HB1 or name HB2  )) (resid   4 and (name HB2 or name HB1  )) 2.7  0.9  0.9
assign (resid   2 and (name HB1 or name HB2  )) (resid   4 and (name HD1# or name HD2#  )) 2.8  1.0  1.0
assign (resid   2 and (name HB1 or name HB2  )) (resid   4 and (name HD2# or name HD1#  )) 2.6  0.9  0.9
assign (resid   2 and (name HB1 or name HB2  )) (resid   4 and name HG  )  2.7  0.9  0.9
assign (resid   2 and (name HB2 or name HB1  )) (resid   4 and (name HD1# or name HD2#  )) 2.6  0.9  0.9
assign (resid   2 and (name HB2 or name HB1  )) (resid   4 and (name HD2# or name HD1#  )) 2.6  0.9  0.9
assign (resid   2 and name HG#  ) (resid   4 and name HA  )  2.6  0.9  2.2
assign (resid   2 and (name HB1 or name HB2  )) (resid   5 and name HB#  )  2.5  0.9  0.9
assign (resid   2 and (name HB1 or name HB2  )) (resid   5 and name HN  )  2.6  0.9  0.9
assign (resid   2 and (name HB2 or name HB1  )) (resid   5 and name HN  )  2.8  1.0  1.0
assign (resid   2 and name HG#  ) (resid   5 and name HB#  )  2.6  0.9  0.9
assign (resid   2 and (name HB2 or name HB1  )) (resid   6 and name HD#  )  2.7  0.9  1.8
assign (resid   3 and name HA  ) (resid   3 and name HB#  )  2.3  0.8  0.8
assign (resid   3 and name HB#  ) (resid   3 and name HN  )  2.4  0.8  0.8
assign (resid   3 and name HA  ) (resid   4 and name HA  )  2.8  1.0  1.1
assign (resid   3 and name HA  ) (resid   4 and (name HB1 or name HB2  )) 2.5  0.9  2.3
assign (resid   3 and name HA  ) (resid   4 and (name HB2 or name HB1  )) 2.6  0.9  2.2
assign (resid   3 and name HA  ) (resid   4 and (name HD1# or name HD2#  )) 2.8  1.0  1.1
assign (resid   3 and name HA  ) (resid   4 and (name HD2# or name HD1#  )) 2.8  1.0  1.1
assign (resid   3 and name HA  ) (resid   4 and name HG  )  2.9  1.0  1.5
assign (resid   3 and name HA  ) (resid   4 and name HN  )  2.4  0.8  0.8
assign (resid   3 and name HB#  ) (resid   4 and name HA  )  2.6  0.9  0.9
assign (resid   3 and name HB#  ) (resid   4 and (name HD1# or name HD2#  )) 2.8  1.0  1.0
assign (resid   3 and name HB#  ) (resid   4 and (name HD2# or name HD1#  )) 2.7  0.9  0.9
assign (resid   3 and name HA  ) (resid   5 and name HN  )  2.7  0.9  0.9
assign (resid   3 and name HB#  ) (resid   5 and name HA  )  2.7  0.9  3.1
assign (resid   3 and name HB#  ) (resid   5 and name HB#  )  2.8  1.0  1.6
assign (resid   3 and name HB#  ) (resid   5 and name HN  )  2.6  0.9  1.1
assign (resid   3 and name HA  ) (resid   6 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid   3 and name HA  ) (resid   6 and name HN  )  2.7  0.9  0.9
assign (resid   3 and name HB#  ) (resid   6 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   3 and name HB#  ) (resid   6 and name HN  )  2.6  0.9  1.1
assign (resid   3 and name HA  ) (resid   7 and name HN  )  2.8  1.0  1.5
assign (resid   3 and name HB#  ) (resid   7 and name HN  )  2.7  0.9  1.6
assign (resid   4 and name HA  ) (resid   4 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid   4 and name HA  ) (resid   4 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid   4 and name HA  ) (resid   4 and (name HD2# or name HD1#  )) 2.4  0.8  0.8
assign (resid   4 and name HA  ) (resid   4 and name HG  )  2.5  0.9  0.9
assign (resid   4 and name HA  ) (resid   4 and name HN  )  2.5  0.9  0.9
assign (resid   4 and (name HB1 or name HB2  )) (resid   4 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid   4 and (name HB1 or name HB2  )) (resid   4 and (name HD2# or name HD1#  )) 2.4  0.8  0.8
assign (resid   4 and (name HB1 or name HB2  )) (resid   4 and name HN  )  2.5  0.9  0.9
assign (resid   4 and (name HB2 or name HB1  )) (resid   4 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid   4 and (name HB2 or name HB1  )) (resid   4 and (name HD2# or name HD1#  )) 2.4  0.8  0.8
assign (resid   4 and (name HB2 or name HB1  )) (resid   4 and name HN  )  2.5  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   4 and name HG  )  2.4  0.8  0.8
assign (resid   4 and (name HD1# or name HD2#  )) (resid   4 and name HN  )  2.6  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   4 and name HG  )  2.4  0.8  0.8
assign (resid   4 and (name HD2# or name HD1#  )) (resid   4 and name HN  )  2.6  0.9  0.9
assign (resid   4 and name HG  ) (resid   4 and name HN  )  2.5  0.9  0.9
assign (resid   4 and name HA  ) (resid   5 and name HB#  )  2.3  0.8  2.1
assign (resid   4 and name HA  ) (resid   5 and name HN  )  2.5  0.9  0.9
assign (resid   4 and (name HB1 or name HB2  )) (resid   5 and name HN  )  2.4  0.8  0.8
assign (resid   4 and (name HB2 or name HB1  )) (resid   5 and name HA  )  2.2  0.8  1.0
assign (resid   4 and (name HB2 or name HB1  )) (resid   5 and name HB#  )  2.6  0.9  1.4
assign (resid   4 and (name HB2 or name HB1  )) (resid   5 and name HN  )  2.5  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   5 and name HA  )  2.8  1.0  1.0
assign (resid   4 and (name HD1# or name HD2#  )) (resid   5 and name HB#  )  2.3  0.8  1.4
assign (resid   4 and (name HD1# or name HD2#  )) (resid   5 and name HN  )  2.7  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   5 and name HN  )  2.7  0.9  0.9
assign (resid   4 and name HG  ) (resid   5 and name HA  )  2.4  0.8  1.7
assign (resid   4 and name HG  ) (resid   5 and name HN  )  2.7  0.9  0.9
assign (resid   4 and name HN  ) (resid   5 and name HA  )  2.7  0.9  1.3
assign (resid   4 and name HN  ) (resid   5 and name HB#  )  2.7  0.9  0.9
assign (resid   4 and name HN  ) (resid   5 and name HN  )  2.5  0.9  0.9
assign (resid   4 and name HA  ) (resid   6 and name HN  )  2.7  0.9  0.9
assign (resid   4 and (name HB2 or name HB1  )) (resid   6 and name HA  )  2.3  0.8  3.6
assign (resid   4 and (name HB2 or name HB1  )) (resid   6 and (name HB1 or name HB2  )) 2.4  0.8  2.3
assign (resid   4 and (name HB2 or name HB1  )) (resid   6 and name HN  )  2.6  0.9  1.2
assign (resid   4 and (name HD2# or name HD1#  )) (resid   6 and name HD#  )  2.7  0.9  2.1
assign (resid   4 and name HN  ) (resid   6 and name HN  )  2.7  0.9  0.9
assign (resid   4 and name HA  ) (resid   7 and name HA  )  2.6  0.9  1.5
assign (resid   4 and name HA  ) (resid   7 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid   4 and name HA  ) (resid   7 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid   4 and name HA  ) (resid   7 and name HE#  )  2.6  0.9  0.9
assign (resid   4 and name HA  ) (resid   7 and name HN  )  2.4  0.8  0.8
assign (resid   4 and (name HB2 or name HB1  )) (resid   7 and name HA  )  2.7  0.9  2.0
assign (resid   4 and (name HB2 or name HB1  )) (resid   7 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and (name HB1 or name HB2  )) 2.7  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and name HE#  )  2.7  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   7 and name HN  )  2.8  1.0  1.4
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and (name HB1 or name HB2  )) 2.7  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   7 and name HE#  )  2.7  0.9  0.9
assign (resid   4 and (name HB1 or name HB2  )) (resid   8 and name HE#  )  2.6  0.9  0.9
assign (resid   4 and (name HB2 or name HB1  )) (resid   8 and name HE#  )  2.5  0.9  0.9
assign (resid   4 and (name HB2 or name HB1  )) (resid   8 and name HZ  )  2.8  1.0  1.2
assign (resid   4 and (name HD1# or name HD2#  )) (resid   8 and name HB#  )  2.8  1.0  1.5
assign (resid   4 and (name HD1# or name HD2#  )) (resid   8 and name HE#  )  2.7  0.9  0.9
assign (resid   4 and (name HD1# or name HD2#  )) (resid   8 and name HN  )  2.8  1.0  1.6
assign (resid   4 and (name HD1# or name HD2#  )) (resid   8 and name HZ  )  2.7  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   8 and name HB#  )  2.7  0.9  1.6
assign (resid   4 and (name HD2# or name HD1#  )) (resid   8 and name HE#  )  2.6  0.9  0.9
assign (resid   4 and (name HD2# or name HD1#  )) (resid   8 and name HN  )  2.8  1.0  1.6
assign (resid   4 and (name HD2# or name HD1#  )) (resid   8 and name HZ  )  2.6  0.9  0.9
assign (resid   4 and name HG  ) (resid   8 and name HE#  )  2.7  0.9  0.9
assign (resid   5 and name HA  ) (resid   5 and name HB#  )  2.3  0.8  0.8
assign (resid   5 and name HA  ) (resid   5 and name HN  )  2.4  0.8  0.8
assign (resid   5 and name HB#  ) (resid   5 and name HN  )  2.4  0.8  0.8
assign (resid   5 and name HA  ) (resid   6 and (name HB1 or name HB2  )) 2.7  0.9  1.9
assign (resid   5 and name HA  ) (resid   6 and name HN  )  2.5  0.9  0.9
assign (resid   5 and name HB#  ) (resid   6 and name HN  )  2.5  0.9  0.9
assign (resid   5 and name HN  ) (resid   6 and (name HB1 or name HB2  )) 2.6  0.9  1.2
assign (resid   5 and name HN  ) (resid   6 and name HD#  )  2.5  0.9  0.9
assign (resid   5 and name HN  ) (resid   6 and name HN  )  2.5  0.9  0.9
assign (resid   5 and name HA  ) (resid   7 and (name HB2 or name HB1  )) 2.7  0.9  1.6
assign (resid   5 and name HB#  ) (resid   7 and name HN  )  2.8  1.0  1.3
assign (resid   5 and name HA  ) (resid   8 and name HB#  )  2.4  0.8  0.8
assign (resid   5 and name HA  ) (resid   8 and name HE#  )  2.5  0.9  1.1
assign (resid   5 and name HA  ) (resid   8 and name HN  )  2.5  0.9  0.9
assign (resid   5 and name HA  ) (resid   8 and name HZ  )  2.7  0.9  2.8
assign (resid   5 and name HB#  ) (resid   8 and name HB#  )  2.6  0.9  0.9
assign (resid   5 and name HB#  ) (resid   8 and name HE#  )  2.8  1.0  2.0
assign (resid   5 and name HB#  ) (resid   8 and name HN  )  2.7  0.9  1.4
assign (resid   5 and name HN  ) (resid   8 and name HE#  )  2.8  1.0  1.8
assign (resid   6 and name HA  ) (resid   6 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid   6 and name HA  ) (resid   6 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid   6 and name HA  ) (resid   6 and name HD#  )  5.0  1.8  1.8
assign (resid   6 and name HA  ) (resid   6 and (name HG1 or name HG2  )) 2.4  0.8  0.8
assign (resid   6 and name HA  ) (resid   6 and name HN  )  2.4  0.8  0.8
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and name HD#  )  2.6  0.9  0.9
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and (name HG1 or name HG2  )) 2.3  0.8  0.8
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid   6 and (name HB1 or name HB2  )) (resid   6 and name HN  )  2.4  0.8  0.8
assign (resid   6 and (name HB2 or name HB1  )) (resid   6 and name HD#  )  2.6  0.9  0.9
assign (resid   6 and (name HB2 or name HB1  )) (resid   6 and (name HG1 or name HG2  )) 2.3  0.8  0.8
assign (resid   6 and (name HB2 or name HB1  )) (resid   6 and name HN  )  2.4  0.8  0.8
assign (resid   6 and name HD#  ) (resid   6 and name HN  )  2.6  0.9  0.9
assign (resid   6 and name HE#  ) (resid   6 and (name HG1 or name HG2  )) 2.3  0.8  0.8
assign (resid   6 and name HE#  ) (resid   6 and (name HG2 or name HG1  )) 2.3  0.8  0.8
assign (resid   6 and (name HG1 or name HG2  )) (resid   6 and name HN  )  2.5  0.9  0.9
assign (resid   6 and (name HG2 or name HG1  )) (resid   6 and name HN  )  2.8  1.0  1.0
assign (resid   6 and name HA  ) (resid   7 and (name HB1 or name HB2  )) 2.5  0.9  2.4
assign (resid   6 and name HA  ) (resid   7 and name HN  )  2.5  0.9  0.9
assign (resid   6 and (name HB1 or name HB2  )) (resid   7 and name HA  )  2.8  1.0  1.0
assign (resid   6 and (name HB1 or name HB2  )) (resid   7 and (name HB1 or name HB2  )) 2.6  0.9  1.1
assign (resid   6 and (name HB1 or name HB2  )) (resid   7 and name HN  )  2.5  0.9  0.9
assign (resid   6 and (name HB2 or name HB1  )) (resid   7 and name HA  )  2.4  0.8  0.8
assign (resid   6 and name HD#  ) (resid   7 and name HN  )  2.7  0.9  0.9
assign (resid   6 and (name HG1 or name HG2  )) (resid   7 and name HN  )  3.0  1.0  1.0
assign (resid   6 and (name HG2 or name HG1  )) (resid   7 and name HN  )  2.5  0.9  1.2
assign (resid   6 and name HN  ) (resid   7 and name HA  )  2.8  1.0  1.4
assign (resid   6 and name HN  ) (resid   7 and (name HB1 or name HB2  )) 2.8  1.0  1.0
assign (resid   6 and name HN  ) (resid   7 and (name HB2 or name HB1  )) 2.8  1.0  1.0
assign (resid   6 and name HN  ) (resid   7 and name HN  )  2.5  0.9  0.9
assign (resid   6 and name HN  ) (resid   8 and name HN  )  2.7  0.9  0.9
assign (resid   6 and name HA  ) (resid   9 and name HA  )  2.6  0.9  2.7
assign (resid   6 and name HA  ) (resid   9 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid   6 and name HA  ) (resid   9 and (name HD1 or name HD2  )) 4.8  1.7  1.7
assign (resid   6 and name HA  ) (resid   9 and (name HD2 or name HD1  )) 2.4  0.8  0.8
assign (resid   6 and name HA  ) (resid   9 and name HN  )  2.5  0.9  0.9
assign (resid   7 and name HA  ) (resid   7 and (name HB1 or name HB2  )) 2.4  0.8  0.8
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#  )  2.6  0.9  1.2
assign (resid   7 and name HA  ) (resid   7 and name HN  )  2.4  0.8  0.8
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and name HE#  )  2.5  0.9  1.0
assign (resid   7 and (name HB1 or name HB2  )) (resid   7 and name HN  )  2.4  0.8  0.8
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and name HE#  )  2.5  0.9  1.0
assign (resid   7 and (name HB2 or name HB1  )) (resid   7 and name HN  )  2.4  0.8  0.8
assign (resid   7 and name HE#  ) (resid   7 and name HN  )  2.5  0.9  1.8
assign (resid   7 and name HA  ) (resid   8 and name HB#  )  2.6  0.9  2.2
assign (resid   7 and name HA  ) (resid   8 and name HE#  )  2.7  0.9  3.5
assign (resid   7 and name HA  ) (resid   8 and name HN  )  2.6  0.9  0.9
assign (resid   7 and (name HB1 or name HB2  )) (resid   8 and name HN  )  2.4  0.8  0.8
assign (resid   7 and (name HB2 or name HB1  )) (resid   8 and name HE#  )  2.7  0.9  1.2
assign (resid   7 and (name HB2 or name HB1  )) (resid   8 and name HN  )  2.5  0.9  0.9
assign (resid   7 and name HE#  ) (resid   8 and name HN  )  2.6  0.9  3.2
assign (resid   7 and name HN  ) (resid   8 and name HA  )  2.4  0.8  2.1
assign (resid   7 and name HN  ) (resid   8 and name HB#  )  2.5  0.9  1.4
assign (resid   7 and name HN  ) (resid   8 and name HN  )  2.4  0.8  0.8
assign (resid   7 and name HA  ) (resid  10 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid   7 and name HA  ) (resid  10 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid   7 and name HA  ) (resid  10 and name HN  )  2.6  0.9  0.9
assign (resid   7 and (name HB1 or name HB2  )) (resid  10 and name HN  )  2.5  0.9  1.4
assign (resid   7 and name HA  ) (resid  11 and name HE#  )  2.8  1.0  1.0
assign (resid   7 and name HN  ) (resid  11 and name HE#  )  2.8  1.0  1.5
assign (resid   8 and name HA  ) (resid   8 and name HB#  )  2.4  0.8  0.8
assign (resid   8 and name HA  ) (resid   8 and name HE#  )  2.5  0.9  0.9
assign (resid   8 and name HA  ) (resid   8 and name HN  )  2.4  0.8  0.8
assign (resid   8 and name HA  ) (resid   8 and name HZ  )  2.6  0.9  1.3
assign (resid   8 and name HB#  ) (resid   8 and name HE#  )  2.4  0.8  1.0
assign (resid   8 and name HB#  ) (resid   8 and name HN  )  2.3  0.8  0.8
assign (resid   8 and name HB#  ) (resid   8 and name HZ  )  2.6  0.9  1.9
assign (resid   8 and name HE#  ) (resid   8 and name HN  )  2.5  0.9  1.4
assign (resid   8 and name HA  ) (resid   9 and name HA  )  2.7  0.9  1.1
assign (resid   8 and name HA  ) (resid   9 and (name HB2 or name HB1  )) 2.3  0.8  2.0
assign (resid   8 and name HB#  ) (resid   9 and name HA  )  3.1  1.1  1.1
assign (resid   8 and name HB#  ) (resid   9 and (name HB1 or name HB2  )) 2.5  0.9  1.4
assign (resid   8 and name HE#  ) (resid   9 and name HA  )  2.7  0.9  3.2
assign (resid   8 and name HE#  ) (resid   9 and (name HB2 or name HB1  )) 2.7  0.9  4.0
assign (resid   8 and name HB#  ) (resid  10 and name HN  )  2.7  0.9  1.5
assign (resid   8 and name HA  ) (resid  11 and (name HB1 or name HB2  )) 2.5  0.9  1.4
assign (resid   8 and name HA  ) (resid  11 and (name HB2 or name HB1  )) 2.5  0.9  1.4
assign (resid   8 and name HA  ) (resid  11 and name HE#  )  2.7  0.9  0.9
assign (resid   8 and name HE#  ) (resid  11 and name HA  )  2.6  0.9  3.2
assign (resid   8 and name HE#  ) (resid  11 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid   8 and name HE#  ) (resid  11 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid   8 and name HE#  ) (resid  11 and name HE#  )  2.4  0.8  0.8
assign (resid   8 and name HE#  ) (resid  11 and name HN  )  2.6  0.9  2.0
assign (resid   8 and name HZ  ) (resid  11 and name HE#  )  2.4  0.8  0.8
assign (resid   8 and name HA  ) (resid  12 and name HB  )  2.5  0.9  2.6
assign (resid   8 and name HA  ) (resid  12 and name HD#  )  2.6  0.9  0.9
assign (resid   8 and name HA  ) (resid  12 and (name HG12 or name HG11  )) 2.5  0.9  0.9
assign (resid   8 and name HA  ) (resid  12 and (name HG2# or name HD1#  )) 2.6  0.9  0.9
assign (resid   8 and name HB#  ) (resid  12 and name HD#  )  2.6  0.9  0.9
assign (resid   8 and name HB#  ) (resid  12 and (name HG2# or name HD1#  )) 2.7  0.9  0.9
assign (resid   8 and name HE#  ) (resid  12 and name HA  )  2.8  1.0  1.8
assign (resid   8 and name HE#  ) (resid  12 and name HB  )  2.6  0.9  1.8
assign (resid   8 and name HE#  ) (resid  12 and name HD#  )  2.5  0.9  0.9
assign (resid   8 and name HE#  ) (resid  12 and (name HG11 or name HG12  )) 2.6  0.9  0.9
assign (resid   8 and name HE#  ) (resid  12 and (name HG12 or name HG11  )) 2.7  0.9  0.9
assign (resid   8 and name HE#  ) (resid  12 and (name HG2# or name HD1#  )) 2.6  0.9  0.9
assign (resid   8 and name HE#  ) (resid  12 and name HN  )  2.7  0.9  0.9
assign (resid   8 and name HZ  ) (resid  12 and name HD#  )  2.7  0.9  1.6
assign (resid   8 and name HZ  ) (resid  12 and (name HG2# or name HD1#  )) 2.7  0.9  1.4
assign (resid   8 and name HB#  ) (resid  13 and (name HD1# or name HD2#  )) 2.4  0.8  1.1
assign (resid   8 and name HE#  ) (resid  13 and (name HD1# or name HD2#  )) 2.9  1.0  1.4
assign (resid   8 and name HE#  ) (resid  13 and (name HD2# or name HD1#  )) 3.0  1.0  1.4
assign (resid   8 and name HZ  ) (resid  13 and (name HD1# or name HD2#  )) 2.8  1.0  3.2
assign (resid   8 and name HZ  ) (resid  13 and (name HD2# or name HD1#  )) 2.8  1.0  3.2
assign (resid   8 and name HE#  ) (resid  15 and (name HD2 or name HD1  )) 3.9  1.4  2.8
assign (resid   9 and name HA  ) (resid   9 and (name HB1 or name HB2  )) 2.3  0.8  0.8
assign (resid   9 and name HA  ) (resid   9 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid   9 and name HA  ) (resid   9 and (name HD1 or name HD2  )) 2.3  0.8  0.8
assign (resid   9 and name HA  ) (resid   9 and (name HD2 or name HD1  )) 2.4  0.8  0.8
assign (resid   9 and name HA  ) (resid   9 and name HG#  )  2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid   9 and name HN  )  2.4  0.8  0.8
assign (resid   9 and (name HB1 or name HB2  )) (resid   9 and (name HD1 or name HD2  )) 2.5  0.9  0.9
assign (resid   9 and (name HB1 or name HB2  )) (resid   9 and (name HD2 or name HD1  )) 2.4  0.8  0.8
assign (resid   9 and (name HB1 or name HB2  )) (resid   9 and name HE  )  2.6  0.9  0.9
assign (resid   9 and (name HB1 or name HB2  )) (resid   9 and name HG#  )  2.4  0.8  0.8
assign (resid   9 and (name HB1 or name HB2  )) (resid   9 and name HN  )  2.4  0.8  0.8
assign (resid   9 and (name HB2 or name HB1  )) (resid   9 and (name HD1 or name HD2  )) 2.4  0.8  0.8
assign (resid   9 and (name HB2 or name HB1  )) (resid   9 and (name HD2 or name HD1  )) 2.4  0.8  0.8
assign (resid   9 and (name HB2 or name HB1  )) (resid   9 and name HE  )  2.6  0.9  0.9
assign (resid   9 and (name HB2 or name HB1  )) (resid   9 and name HN  )  2.5  0.9  0.9
assign (resid   9 and (name HD1 or name HD2  )) (resid   9 and name HE  )  2.6  0.9  0.9
assign (resid   9 and (name HD1 or name HD2  )) (resid   9 and name HG#  )  2.4  0.8  0.8
assign (resid   9 and (name HD2 or name HD1  )) (resid   9 and name HE  )  2.5  0.9  0.9
assign (resid   9 and (name HD2 or name HD1  )) (resid   9 and name HG#  )  2.4  0.8  0.8
assign (resid   9 and name HE  ) (resid   9 and name HG#  )  2.6  0.9  0.9
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  )  2.6  0.9  0.9
assign (resid   9 and (name HB1 or name HB2  )) (resid  10 and name HA  )  2.5  0.9  1.0
assign (resid   9 and (name HB1 or name HB2  )) (resid  10 and name HN  )  2.4  0.8  0.8
assign (resid   9 and name HN  ) (resid  10 and name HA  )  2.7  0.9  1.6
assign (resid   9 and name HN  ) (resid  10 and name HN  )  2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid  12 and name HD#  )  2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid  12 and (name HG11 or name HG12  )) 2.6  0.9  1.6
assign (resid   9 and name HA  ) (resid  12 and (name HG12 or name HG11  )) 2.5  0.9  1.8
assign (resid   9 and name HA  ) (resid  12 and (name HG2# or name HD1#  )) 2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid  12 and name HN  )  2.6  0.9  2.4
assign (resid   9 and name HN  ) (resid  12 and name HD#  )  2.8  1.0  1.0
assign (resid   9 and name HA  ) (resid  13 and name HA  )  2.6  0.9  2.7
assign (resid   9 and name HA  ) (resid  13 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid   9 and name HA  ) (resid  13 and (name HD2# or name HD1#  )) 2.7  0.9  0.9
assign (resid   9 and name HA  ) (resid  13 and name HG  )  2.5  0.9  1.5
assign (resid   9 and name HA  ) (resid  13 and name HN  )  2.5  0.9  1.3
assign (resid   9 and (name HB1 or name HB2  )) (resid  13 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid   9 and (name HD1 or name HD2  )) (resid  13 and (name HD1# or name HD2#  )) 3.2  1.1  1.1
assign (resid   9 and (name HD2 or name HD1  )) (resid  13 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid   9 and name HE  ) (resid  13 and (name HD1# or name HD2#  )) 2.9  1.0  1.0
assign (resid   9 and name HN  ) (resid  13 and (name HD1# or name HD2#  )) 2.8  1.0  1.0
assign (resid  10 and name HA  ) (resid  10 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid  10 and name HA  ) (resid  10 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  10 and name HA  ) (resid  10 and name HN  )  2.5  0.9  0.9
assign (resid  10 and (name HB1 or name HB2  )) (resid  10 and name HN  )  2.4  0.8  0.8
assign (resid  10 and (name HB2 or name HB1  )) (resid  10 and name HN  )  2.5  0.9  0.9
assign (resid  10 and name HA  ) (resid  11 and name HE#  )  2.5  0.9  3.4
assign (resid  10 and name HA  ) (resid  11 and name HN  )  2.5  0.9  0.9
assign (resid  10 and (name HB1 or name HB2  )) (resid  11 and name HA  )  2.6  0.9  0.9
assign (resid  10 and (name HB1 or name HB2  )) (resid  11 and name HN  )  2.5  0.9  0.9
assign (resid  10 and (name HB2 or name HB1  )) (resid  11 and name HA  )  2.7  0.9  0.9
assign (resid  10 and (name HB2 or name HB1  )) (resid  11 and name HN  )  2.5  0.9  0.9
assign (resid  10 and name HN  ) (resid  11 and name HA  )  2.8  1.0  2.0
assign (resid  10 and name HN  ) (resid  11 and (name HB1 or name HB2  )) 2.7  0.9  1.9
assign (resid  10 and name HN  ) (resid  11 and (name HB2 or name HB1  )) 2.7  0.9  1.9
assign (resid  10 and name HN  ) (resid  11 and name HE#  )  2.9  1.0  1.0
assign (resid  10 and name HN  ) (resid  11 and name HN  )  2.4  0.8  0.8
assign (resid  10 and name HN  ) (resid  12 and name HN  )  2.7  0.9  1.2
assign (resid  10 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  10 and name HA  ) (resid  13 and (name HB2 or name HB1  )) 2.5  0.9  0.9
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 HD2# or name HD1#  )) 2.9  1.0  1.0
assign (resid  10 and name HA  ) (resid  13 and name HG  )  2.5  0.9  3.3
assign (resid  10 and name HN  ) (resid  13 and (name HD1# or name HD2#  )) 2.8  1.0  1.0
assign (resid  10 and name HA  ) (resid  14 and name HN  )  2.6  0.9  1.4
assign (resid  11 and name HA  ) (resid  11 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid  11 and name HA  ) (resid  11 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  11 and name HA  ) (resid  11 and name HE#  )  2.5  0.9  2.1
assign (resid  11 and name HA  ) (resid  11 and name HN  )  2.4  0.8  0.8
assign (resid  11 and (name HB1 or name HB2  )) (resid  11 and name HE#  )  2.5  0.9  0.9
assign (resid  11 and (name HB1 or name HB2  )) (resid  11 and name HN  )  2.5  0.9  0.9
assign (resid  11 and (name HB2 or name HB1  )) (resid  11 and name HE#  )  2.6  0.9  0.9
assign (resid  11 and (name HB2 or name HB1  )) (resid  11 and name HN  )  2.5  0.9  0.9
assign (resid  11 and name HE#  ) (resid  11 and name HN  )  2.6  0.9  0.9
assign (resid  11 and name HA  ) (resid  12 and name HD#  )  2.8  1.0  2.5
assign (resid  11 and name HA  ) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and name HA  )  2.8  1.0  1.0
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and name HD#  )  2.7  0.9  0.9
assign (resid  11 and (name HB1 or name HB2  )) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  11 and (name HB2 or name HB1  )) (resid  12 and name HA  )  2.8  1.0  1.0
assign (resid  11 and (name HB2 or name HB1  )) (resid  12 and name HD#  )  2.6  0.9  0.9
assign (resid  11 and (name HB2 or name HB1  )) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  11 and name HE#  ) (resid  12 and name HA  )  2.7  0.9  3.7
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  )) 2.6  0.9  0.9
assign (resid  11 and name HE#  ) (resid  12 and (name HG12 or name HG11  )) 2.5  0.9  0.9
assign (resid  11 and name HE#  ) (resid  12 and (name HG2# or name HD1#  )) 2.8  1.0  1.0
assign (resid  11 and name HE#  ) (resid  12 and name HN  )  2.7  0.9  1.5
assign (resid  11 and name HA  ) (resid  14 and (name HB1 or name HB2  )) 2.6  0.9  0.9
assign (resid  11 and name HA  ) (resid  14 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  11 and name HA  ) (resid  14 and name HE2#  )  2.7  0.9  0.9
assign (resid  11 and name HA  ) (resid  14 and (name HG2 or name HG1  )) 2.8  1.0  1.0
assign (resid  12 and name HA  ) (resid  12 and name HB  )  2.4  0.8  0.8
assign (resid  12 and name HA  ) (resid  12 and name HD#  )  2.4  0.8  0.8
assign (resid  12 and name HA  ) (resid  12 and (name HG11 or name HG12  )) 2.4  0.8  0.8
assign (resid  12 and name HA  ) (resid  12 and (name HG12 or name HG11  )) 2.4  0.8  0.8
assign (resid  12 and name HA  ) (resid  12 and (name HG2# or name HD1#  )) 2.4  0.8  0.8
assign (resid  12 and name HA  ) (resid  12 and name HN  )  2.4  0.8  0.8
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  )) 2.4  0.8  0.8
assign (resid  12 and name HB  ) (resid  12 and (name HG12 or name HG11  )) 2.4  0.8  0.8
assign (resid  12 and name HB  ) (resid  12 and (name HG2# or name HD1#  )) 2.4  0.8  0.8
assign (resid  12 and name HB  ) (resid  12 and name HN  )  2.4  0.8  0.8
assign (resid  12 and name HD#  ) (resid  12 and (name HG11 or name HG12  )) 2.4  0.8  0.8
assign (resid  12 and name HD#  ) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  12 and (name HG11 or name HG12  )) (resid  12 and (name HG2# or name HD1#  )) 2.4  0.8  0.8
assign (resid  12 and (name HG11 or name HG12  )) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  12 and (name HG12 or name HG11  )) (resid  12 and (name HG2# or name HD1#  )) 2.4  0.8  0.8
assign (resid  12 and (name HG12 or name HG11  )) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  12 and (name HG2# or name HD1#  )) (resid  12 and name HN  )  2.5  0.9  0.9
assign (resid  12 and name HA  ) (resid  13 and (name HD2# or name HD1#  )) 2.8  1.0  1.0
assign (resid  12 and name HA  ) (resid  13 and name HG  )  2.6  0.9  2.4
assign (resid  12 and name HA  ) (resid  13 and name HN  )  2.5  0.9  0.9
assign (resid  12 and name HB  ) (resid  13 and name HA  )  2.5  0.9  0.9
assign (resid  12 and name HB  ) (resid  13 and (name HD2# or name HD1#  )) 2.5  0.9  0.9
assign (resid  12 and name HB  ) (resid  13 and name HG  )  2.4  0.8  0.8
assign (resid  12 and name HB  ) (resid  13 and name HN  )  2.4  0.8  0.8
assign (resid  12 and name HD#  ) (resid  13 and name HA  )  2.8  1.0  1.0
assign (resid  12 and name HD#  ) (resid  13 and name HG  )  2.6  0.9  0.9
assign (resid  12 and name HD#  ) (resid  13 and name HN  )  2.5  0.9  0.9
assign (resid  12 and (name HG11 or name HG12  )) (resid  13 and name HN  )  2.5  0.9  0.9
assign (resid  12 and (name HG12 or name HG11  )) (resid  13 and name HN  )  2.6  0.9  0.9
assign (resid  12 and (name HG2# or name HD1#  )) (resid  13 and name HA  )  2.5  0.9  0.9
assign (resid  12 and (name HG2# or name HD1#  )) (resid  13 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  12 and (name HG2# or name HD1#  )) (resid  13 and (name HB2 or name HB1  )) 2.6  0.9  0.9
assign (resid  12 and (name HG2# or name HD1#  )) (resid  13 and name HG  )  2.5  0.9  0.9
assign (resid  12 and (name HG2# or name HD1#  )) (resid  13 and name HN  )  2.5  0.9  0.9
assign (resid  12 and name HN  ) (resid  13 and name HN  )  2.4  0.8  0.8
assign (resid  12 and name HA  ) (resid  15 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  12 and name HA  ) (resid  15 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  12 and name HA  ) (resid  15 and (name HD1 or name HD2  )) 2.5  0.9  0.9
assign (resid  12 and name HB  ) (resid  15 and (name HB2 or name HB1  )) 2.6  0.9  1.6
assign (resid  13 and name HA  ) (resid  13 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid  13 and name HA  ) (resid  13 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid  13 and name HA  ) (resid  13 and (name HD1# or name HD2#  )) 2.5  0.9  0.9
assign (resid  13 and name HA  ) (resid  13 and (name HD2# or name HD1#  )) 2.4  0.8  0.8
assign (resid  13 and name HA  ) (resid  13 and name HG  )  2.4  0.8  0.8
assign (resid  13 and name HA  ) (resid  13 and name HN  )  2.4  0.8  0.8
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and (name HD2# or name HD1#  )) 2.4  0.8  0.8
assign (resid  13 and (name HB1 or name HB2  )) (resid  13 and name HN  )  2.4  0.8  0.8
assign (resid  13 and (name HB2 or name HB1  )) (resid  13 and (name HD1# or name HD2#  )) 2.4  0.8  0.8
assign (resid  13 and (name HB2 or name HB1  )) (resid  13 and (name HD2# or name HD1#  )) 2.4  0.8  0.8
assign (resid  13 and (name HB2 or name HB1  )) (resid  13 and name HN  )  2.4  0.8  0.8
assign (resid  13 and (name HD1# or name HD2#  )) (resid  13 and name HG  )  2.3  0.8  0.8
assign (resid  13 and (name HD1# or name HD2#  )) (resid  13 and name HN  )  2.5  0.9  0.9
assign (resid  13 and (name HD2# or name HD1#  )) (resid  13 and name HG  )  2.4  0.8  0.8
assign (resid  13 and (name HD2# or name HD1#  )) (resid  13 and name HN  )  2.5  0.9  0.9
assign (resid  13 and name HG  ) (resid  13 and name HN  )  2.4  0.8  0.8
assign (resid  13 and name HA  ) (resid  14 and (name HG1 or name HG2  )) 2.6  0.9  2.5
assign (resid  13 and name HA  ) (resid  14 and name HN  )  2.4  0.8  0.8
assign (resid  13 and (name HB1 or name HB2  )) (resid  14 and name HN  )  2.4  0.8  0.8
assign (resid  13 and (name HB2 or name HB1  )) (resid  14 and name HN  )  2.5  0.9  0.9
assign (resid  13 and (name HD1# or name HD2#  )) (resid  14 and name HN  )  2.6  0.9  0.9
assign (resid  13 and (name HD2# or name HD1#  )) (resid  14 and name HN  )  2.5  0.9  0.9
assign (resid  13 and name HA  ) (resid  15 and (name HG2 or name HG1  )) 2.6  0.9  1.6
assign (resid  13 and (name HB2 or name HB1  )) (resid  15 and (name HB2 or name HB1  )) 2.4  0.8  2.6
assign (resid  13 and (name HD1# or name HD2#  )) (resid  15 and (name HB2 or name HB1  )) 2.3  0.8  2.2
assign (resid  13 and (name HD1# or name HD2#  )) (resid  15 and (name HG2 or name HG1  )) 2.8  1.0  1.3
assign (resid  13 and (name HD2# or name HD1#  )) (resid  15 and (name HB2 or name HB1  )) 2.3  0.8  2.2
assign (resid  13 and name HA  ) (resid  16 and name HG#  )  2.5  0.9  0.9
assign (resid  13 and name HA  ) (resid  16 and name HN  )  2.8  1.0  1.0
assign (resid  13 and name HG  ) (resid  16 and name HG#  )  2.3  0.8  0.8
assign (resid  13 and name HN  ) (resid  16 and name HD#  )  2.4  0.8  1.8
assign (resid  14 and name HA  ) (resid  14 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid  14 and name HA  ) (resid  14 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid  14 and name HA  ) (resid  14 and (name HG1 or name HG2  )) 2.6  0.9  0.9
assign (resid  14 and name HA  ) (resid  14 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid  14 and name HA  ) (resid  14 and name HN  )  2.3  0.8  0.8
assign (resid  14 and (name HB1 or name HB2  )) (resid  14 and name HN  )  2.4  0.8  0.8
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and (name HG1 or name HG2  )) 2.4  0.8  0.8
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid  14 and (name HB2 or name HB1  )) (resid  14 and name HN  )  2.4  0.8  0.8
assign (resid  14 and name HE2#  ) (resid  14 and (name HG1 or name HG2  )) 2.6  0.9  0.9
assign (resid  14 and name HE2#  ) (resid  14 and (name HG2 or name HG1  )) 2.7  0.9  0.9
assign (resid  14 and (name HG1 or name HG2  )) (resid  14 and name HN  )  2.6  0.9  0.9
assign (resid  14 and (name HG2 or name HG1  )) (resid  14 and name HN  )  2.5  0.9  0.9
assign (resid  14 and name HA  ) (resid  16 and name HN  )  2.8  1.0  1.0
assign (resid  14 and name HA  ) (resid  17 and name HG#  )  2.6  0.9  1.1
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  )) 2.4  0.8  0.8
assign (resid  15 and name HA  ) (resid  15 and (name HD1 or name HD2  )) 2.5  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and (name HD2 or name HD1  )) 2.5  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and (name HG1 or name HG2  )) 2.4  0.8  0.8
assign (resid  15 and name HA  ) (resid  15 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid  15 and name HA  ) (resid  15 and name HN  )  2.4  0.8  0.8
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and (name HD1 or name HD2  )) 2.5  0.9  0.9
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and (name HD2 or name HD1  )) 2.4  0.8  0.8
assign (resid  15 and (name HB1 or name HB2  )) (resid  15 and name HN  )  2.5  0.9  0.9
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and (name HD1 or name HD2  )) 2.2  0.8  0.8
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and (name HG2 or name HG1  )) 2.4  0.8  0.8
assign (resid  15 and (name HB2 or name HB1  )) (resid  15 and name HN  )  2.4  0.8  0.8
assign (resid  15 and (name HD1 or name HD2  )) (resid  15 and name HE  )  2.6  0.9  0.9
assign (resid  15 and (name HD1 or name HD2  )) (resid  15 and (name HG1 or name HG2  )) 2.5  0.9  0.9
assign (resid  15 and (name HD1 or name HD2  )) (resid  15 and (name HG2 or name HG1  )) 2.5  0.9  0.9
assign (resid  15 and (name HD1 or name HD2  )) (resid  15 and name HN  )  2.4  0.8  1.5
assign (resid  15 and (name HD2 or name HD1  )) (resid  15 and name HE  )  2.6  0.9  0.9
assign (resid  15 and (name HD2 or name HD1  )) (resid  15 and (name HG1 or name HG2  )) 2.5  0.9  0.9
assign (resid  15 and (name HD2 or name HD1  )) (resid  15 and (name HG2 or name HG1  )) 2.6  0.9  0.9
assign (resid  15 and name HE  ) (resid  15 and (name HG1 or name HG2  )) 2.7  0.9  0.9
assign (resid  15 and name HE  ) (resid  15 and (name HG2 or name HG1  )) 2.8  1.0  1.0
assign (resid  15 and (name HG1 or name HG2  )) (resid  15 and name HN  )  2.5  0.9  0.9
assign (resid  15 and (name HG2 or name HG1  )) (resid  15 and name HN  )  2.5  0.9  0.9
assign (resid  15 and name HA  ) (resid  16 and (name HB2 or name HB1  )) 2.7  0.9  2.3
assign (resid  15 and name HA  ) (resid  16 and name HD#  )  2.4  0.8  3.0
assign (resid  15 and name HA  ) (resid  16 and name HN  )  2.4  0.8  0.8
assign (resid  15 and (name HB1 or name HB2  )) (resid  16 and name HN  )  2.6  0.9  0.9
assign (resid  15 and (name HG1 or name HG2  )) (resid  16 and name HN  )  2.6  0.9  0.9
assign (resid  15 and (name HG2 or name HG1  )) (resid  16 and name HN  )  2.5  0.9  0.9
assign (resid  15 and name HN  ) (resid  16 and name HN  )  2.5  0.9  0.9
assign (resid  15 and name HA  ) (resid  17 and name HN  )  2.7  0.9  0.9
assign (resid  15 and (name HB2 or name HB1  )) (resid  17 and name HG#  )  2.4  0.8  1.1
assign (resid  15 and (name HD2 or name HD1  )) (resid  17 and (name HB2 or name HB1  )) 2.4  0.8  2.9
assign (resid  15 and (name HD2 or name HD1  )) (resid  17 and name HD#  )  2.3  0.8  0.8
assign (resid  16 and name HA  ) (resid  16 and (name HB1 or name HB2  )) 2.4  0.8  0.8
assign (resid  16 and name HA  ) (resid  16 and (name HB2 or name HB1  )) 2.4  0.8  0.8
assign (resid  16 and name HA  ) (resid  16 and name HG#  )  2.4  0.8  0.8
assign (resid  16 and name HA  ) (resid  16 and name HN  )  2.5  0.9  0.9
assign (resid  16 and (name HB1 or name HB2  )) (resid  16 and name HN  )  2.5  0.9  0.9
assign (resid  16 and (name HB2 or name HB1  )) (resid  16 and name HG#  )  2.4  0.8  0.8
assign (resid  16 and (name HB2 or name HB1  )) (resid  16 and name HN  )  2.5  0.9  0.9
assign (resid  16 and name HD#  ) (resid  16 and name HN  )  2.5  0.9  0.9
assign (resid  16 and name HG#  ) (resid  16 and name HN  )  2.5  0.9  0.9
assign (resid  16 and name HA  ) (resid  17 and name HD#  )  2.5  0.9  1.9
assign (resid  16 and name HA  ) (resid  17 and name HN  )  2.4  0.8  0.8
assign (resid  16 and (name HB1 or name HB2  )) (resid  17 and name HN  )  2.6  0.9  0.9
assign (resid  16 and (name HB2 or name HB1  )) (resid  17 and name HG#  )  2.4  0.8  1.2
assign (resid  16 and name HG#  ) (resid  17 and name HN  )  2.5  0.9  0.9
assign (resid  16 and name HN  ) (resid  17 and name HN  )  2.6  0.9  0.9
assign (resid  17 and name HA  ) (resid  17 and (name HB1 or name HB2  )) 2.5  0.9  0.9
assign (resid  17 and name HA  ) (resid  17 and (name HB2 or name HB1  )) 2.5  0.9  0.9
assign (resid  17 and name HA  ) (resid  17 and name HG#  )  2.5  0.9  0.9
assign (resid  17 and name HA  ) (resid  17 and name HN  )  2.5  0.9  0.9
assign (resid  17 and (name HB1 or name HB2  )) (resid  17 and name HN  )  2.5  0.9  0.9
assign (resid  17 and (name HB2 or name HB1  )) (resid  17 and name HN  )  2.4  0.8  0.8
assign (resid  17 and name HD#  ) (resid  17 and name HN  )  2.9  1.0  1.0
assign (resid  17 and name HG#  ) (resid  17 and name HN  )  2.6  0.9  0.9
# Restraints file 2: CSP1R3A_hbda.tbl
!helix 1
!assign (resid  8 and name n)(resid  8 and name hn) (resid  4 and name o)
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)
# Restraints file 3: CSP1R3A_hbonds.tbl
!! helix 1:

!assign ( resid  4  and name O ) ( resid  8  and name HN ) 1.9 0.4 0.6
!assign ( resid  4  and name O ) ( resid  8  and name N  ) 2.9 0.5 0.7

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



# Restraints file 4: CSP1R3A_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    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0  -63.8   20.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  -30.5   23.0 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0  -65.9   20.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  -39.5   20.0 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0  -65.5   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  -39.6   20.0 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0  -67.1   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  -40.7   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  -65.4   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  -42.6   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  -63.5   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  -40.5   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  -62.4   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  -40.7   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  -64.9   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  -38.0   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  -67.7   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  -41.7   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  -66.0   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  -37.5   20.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -65.4   20.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -35.0   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  -71.6   20.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  -28.7   20.0 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -85.5   22.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  -14.5   23.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name CB   ) (resid    4 and name CG   )    1.0  -60.0   30.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name CB   ) (resid   10 and name CG   )    1.0  -60.0   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  -60.0   30.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name CB   ) (resid   12 and name CG1  )    1.0  -60.0   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   )
       (resid   15 and name CB   ) (resid   15 and name CG   )    1.0  -60.0   30.0 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.
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           HT1      GLU   1  10.242 -20.722  14.741
    2    H2   GLU   1           HT2      GLU   1  11.672 -20.091  14.077
    3    H3   GLU   1           HT3      GLU   1  10.550 -20.884  13.078
    4    HA   GLU   1           HA       GLU   1  10.632 -18.378  13.028
    5    HB2  GLU   1           HB2      GLU   1   8.049 -20.025  13.423
    6    HB3  GLU   1           HB1      GLU   1   7.970 -18.266  13.031
    7    HG2  GLU   1           HG2      GLU   1   9.275 -18.666  10.899
    8    HG3  GLU   1           HG1      GLU   1   9.345 -20.433  11.275
    9    H    MET   2           HN       MET   2   8.297 -19.545  15.630
   10    HA   MET   2           HA       MET   2   9.455 -17.659  17.519
   11    HB2  MET   2           HB2      MET   2   6.776 -17.204  16.195
   12    HB3  MET   2           HB1      MET   2   6.767 -17.213  18.002
   13    HG2  MET   2           HG2      MET   2   8.278 -15.381  18.130
   14    HG3  MET   2           HG1      MET   2   8.697 -15.449  16.388
   15    HE1  MET   2           HE1      MET   2   8.396 -12.920  16.134
   16    HE2  MET   2           HE2      MET   2   8.033 -12.814  17.892
   17    HE3  MET   2           HE3      MET   2   6.973 -11.978  16.704
   18    H    ALA   3           HN       ALA   3   9.385 -18.443  19.481
   19    HA   ALA   3           HA       ALA   3   7.553 -20.573  19.962
   20    HB1  ALA   3           HB1      ALA   3   8.843 -21.426  21.673
   21    HB2  ALA   3           HB2      ALA   3   9.654 -19.823  21.901
   22    HB3  ALA   3           HB3      ALA   3  10.070 -20.849  20.473
   23    H    LEU   4           HN       LEU   4   7.341 -17.505  20.178
   24    HA   LEU   4           HA       LEU   4   6.277 -17.558  22.828
   25    HB2  LEU   4           HB2      LEU   4   5.293 -15.454  21.150
   26    HB3  LEU   4           HB1      LEU   4   6.057 -15.325  22.762
   27    HG   LEU   4           HG       LEU   4   7.497 -15.702  20.137
   28   HD11  LEU   4          HD11      LEU   4   6.202 -13.737  19.943
   29   HD12  LEU   4          HD12      LEU   4   7.917 -13.196  20.229
   30   HD13  LEU   4          HD13      LEU   4   6.697 -13.122  21.572
   31   HD21  LEU   4          HD21      LEU   4   9.440 -14.588  21.679
   32   HD22  LEU   4          HD22      LEU   4   9.083 -16.371  21.705
   33   HD23  LEU   4          HD23      LEU   4   8.430 -15.297  23.012
   34    H    SER   5           HN       SER   5   5.654 -18.271  19.689
   35    HA   SER   5           HA       SER   5   3.157 -17.258  19.481
   36    HB2  SER   5           HB2      SER   5   4.583 -17.783  17.640
   37    HB3  SER   5           HB1      SER   5   4.557 -19.534  18.069
   38    HG   SER   5           HG       SER   5   3.132 -19.126  16.374
   39    H    LYS   6           HN       LYS   6   4.466 -19.770  21.277
   40    HA   LYS   6           HA       LYS   6   2.111 -21.479  21.509
   41    HB2  LYS   6           HB2      LYS   6   4.987 -21.259  22.517
   42    HB3  LYS   6           HB1      LYS   6   3.840 -22.309  23.441
   43    HG2  LYS   6           HG2      LYS   6   4.567 -23.962  22.061
   44    HG3  LYS   6           HG1      LYS   6   3.445 -23.246  20.863
   45    HD2  LYS   6           HD2      LYS   6   5.315 -21.881  19.894
   46    HD3  LYS   6           HD1      LYS   6   6.446 -22.548  21.125
   47    HE2  LYS   6           HE2      LYS   6   6.029 -24.907  20.190
   48    HE3  LYS   6           HE1      LYS   6   4.994 -24.171  18.898
   49    HZ1  LYS   6           HZ1      LYS   6   7.601 -24.637  18.686
   50    HZ2  LYS   6           HZ2      LYS   6   7.646 -23.023  19.213
   51    HZ3  LYS   6           HZ3      LYS   6   6.774 -23.437  17.815
   52    H    PHE   7           HN       PHE   7   4.153 -19.097  22.988
   53    HA   PHE   7           HA       PHE   7   2.825 -19.094  25.463
   54    HB2  PHE   7           HB2      PHE   7   4.589 -17.017  24.214
   55    HB3  PHE   7           HB1      PHE   7   3.981 -16.935  25.907
   56    HD1  PHE   7           HD1      PHE   7   6.826 -16.783  25.006
   57    HD2  PHE   7           HD2      PHE   7   4.515 -20.140  26.296
   58    HE1  PHE   7           HE1      PHE   7   8.801 -17.931  25.683
   59    HE2  PHE   7           HE2      PHE   7   6.501 -21.234  26.941
   60    HZ   PHE   7           HZ       PHE   7   8.705 -20.174  26.679
   61    H    PHE   8           HN       PHE   8   2.439 -17.561  22.378
   62    HA   PHE   8           HA       PHE   8   0.647 -15.644  23.084
   63    HB2  PHE   8           HB2      PHE   8   1.469 -16.906  20.561
   64    HB3  PHE   8           HB1      PHE   8  -0.205 -16.209  20.482
   65    HD1  PHE   8           HD1      PHE   8   3.163 -15.360  20.091
   66    HD2  PHE   8           HD2      PHE   8  -0.365 -14.226  21.909
   67    HE1  PHE   8           HE1      PHE   8   4.158 -13.419  20.808
   68    HE2  PHE   8           HE2      PHE   8   0.388 -12.260  22.632
   69    HZ   PHE   8           HZ       PHE   8   2.764 -11.765  22.049
   70    H    ARG   9           HN       ARG   9  -0.091 -18.910  22.423
   71    HA   ARG   9           HA       ARG   9  -2.748 -18.302  22.390
   72    HB2  ARG   9           HB2      ARG   9  -0.949 -20.612  22.305
   73    HB3  ARG   9           HB1      ARG   9  -2.350 -21.013  23.344
   74    HG2  ARG   9           HG2      ARG   9  -3.332 -21.693  21.414
   75    HG3  ARG   9           HG1      ARG   9  -3.645 -19.956  21.129
   76    HD2  ARG   9           HD2      ARG   9  -1.915 -19.749  19.504
   77    HD3  ARG   9           HD1      ARG   9  -1.010 -21.216  20.114
   78    HE   ARG   9           HE       ARG   9  -3.548 -22.160  19.361
   79   HH11  ARG   9          HH11      ARG   9  -0.839 -20.492  17.647
   80   HH12  ARG   9          HH12      ARG   9  -1.183 -21.227  16.116
   81   HH21  ARG   9          HH21      ARG   9  -3.960 -23.125  17.260
   82   HH22  ARG   9          HH22      ARG   9  -2.967 -22.732  15.897
   83    H    ASP  10           HN       ASP  10  -0.470 -18.076  24.978
   84    HA   ASP  10           HA       ASP  10  -2.614 -18.841  26.757
   85    HB2  ASP  10           HB2      ASP  10   0.322 -18.377  27.515
   86    HB3  ASP  10           HB1      ASP  10  -0.972 -18.808  28.688
   87    H    PHE  11           HN       PHE  11  -0.919 -15.848  25.734
   88    HA   PHE  11           HA       PHE  11  -1.790 -14.632  28.211
   89    HB2  PHE  11           HB2      PHE  11  -1.045 -12.887  25.866
   90    HB3  PHE  11           HB1      PHE  11  -0.766 -12.580  27.635
   91    HD1  PHE  11           HD1      PHE  11   0.168 -13.989  24.591
   92    HD2  PHE  11           HD2      PHE  11   1.369 -13.531  28.614
   93    HE1  PHE  11           HE1      PHE  11   2.258 -14.590  23.972
   94    HE2  PHE  11           HE2      PHE  11   3.636 -14.128  27.961
   95    HZ   PHE  11           HZ       PHE  11   4.165 -14.600  25.607
   96    H    ILE  12           HN       ILE  12  -2.372 -14.159  24.722
   97    HA   ILE  12           HA       ILE  12  -4.186 -12.028  25.182
   98    HB   ILE  12           HB       ILE  12  -4.513 -13.377  22.644
   99   HG12  ILE  12          HG12      ILE  12  -1.947 -11.922  22.565
  100   HG13  ILE  12          HG11      ILE  12  -1.854 -13.437  23.557
  101   HG21  ILE  12          HG21      ILE  12  -4.256 -11.036  21.758
  102   HG22  ILE  12          HG22      ILE  12  -3.862 -10.455  23.421
  103   HG23  ILE  12          HG23      ILE  12  -5.497 -11.142  23.063
  104   HD11  ILE  12          HD11      ILE  12  -1.830 -13.322  20.788
  105   HD12  ILE  12          HD12      ILE  12  -3.511 -13.891  21.209
  106   HD13  ILE  12          HD13      ILE  12  -2.070 -14.739  21.892
  107    H    LEU  13           HN       LEU  13  -4.483 -15.458  24.973
  108    HA   LEU  13           HA       LEU  13  -7.145 -15.309  24.188
  109    HB2  LEU  13           HB2      LEU  13  -5.182 -17.489  24.770
  110    HB3  LEU  13           HB1      LEU  13  -6.909 -17.880  24.400
  111    HG   LEU  13           HG       LEU  13  -6.535 -16.241  22.376
  112   HD11  LEU  13          HD11      LEU  13  -4.652 -15.222  22.286
  113   HD12  LEU  13          HD12      LEU  13  -3.926 -16.703  21.597
  114   HD13  LEU  13          HD13      LEU  13  -3.787 -16.342  23.376
  115   HD21  LEU  13          HD21      LEU  13  -5.732 -18.137  20.877
  116   HD22  LEU  13          HD22      LEU  13  -7.036 -18.638  22.020
  117   HD23  LEU  13          HD23      LEU  13  -5.319 -19.076  22.364
  118    H    GLN  14           HN       GLN  14  -5.497 -15.304  27.171
  119    HA   GLN  14           HA       GLN  14  -7.844 -16.107  28.737
  120    HB2  GLN  14           HB2      GLN  14  -5.187 -14.730  29.536
  121    HB3  GLN  14           HB1      GLN  14  -6.527 -15.041  30.718
  122    HG2  GLN  14           HG2      GLN  14  -6.354 -17.548  30.131
  123    HG3  GLN  14           HG1      GLN  14  -4.903 -17.147  29.133
  124   HE21  GLN  14          HE21      GLN  14  -3.016 -17.648  30.279
  125   HE22  GLN  14          HE22      GLN  14  -2.759 -17.379  31.971
  126    H    ARG  15           HN       ARG  15  -7.121 -13.545  26.724
  127    HA   ARG  15           HA       ARG  15  -8.569 -11.570  28.234
  128    HB2  ARG  15           HB2      ARG  15  -7.114 -11.364  25.581
  129    HB3  ARG  15           HB1      ARG  15  -7.795  -9.980  26.552
  130    HG2  ARG  15           HG2      ARG  15  -6.216 -11.451  28.385
  131    HG3  ARG  15           HG1      ARG  15  -5.292 -11.507  26.860
  132    HD2  ARG  15           HD2      ARG  15  -5.246  -9.044  26.696
  133    HD3  ARG  15           HD1      ARG  15  -6.400  -8.909  28.126
  134    HE   ARG  15           HE       ARG  15  -4.005 -10.390  28.894
  135   HH11  ARG  15          HH11      ARG  15  -5.068  -7.022  28.120
  136   HH12  ARG  15          HH12      ARG  15  -3.860  -6.275  29.113
  137   HH21  ARG  15          HH21      ARG  15  -2.396  -9.317  30.221
  138   HH22  ARG  15          HH22      ARG  15  -2.334  -7.589  30.313
  139    H    LYS  16           HN       LYS  16  -9.430 -14.060  26.664
  140    HA   LYS  16           HA       LYS  16 -11.528 -12.820  25.045
  141    HB2  LYS  16           HB2      LYS  16 -10.666 -15.683  25.651
  142    HB3  LYS  16           HB1      LYS  16 -12.188 -15.325  24.759
  143    HG2  LYS  16           HG2      LYS  16 -11.028 -14.304  22.921
  144    HG3  LYS  16           HG1      LYS  16  -9.473 -14.213  23.820
  145    HD2  LYS  16           HD2      LYS  16  -9.082 -16.511  23.713
  146    HD3  LYS  16           HD1      LYS  16 -10.773 -16.933  23.285
  147    HE2  LYS  16           HE2      LYS  16  -8.921 -15.325  21.371
  148    HE3  LYS  16           HE1      LYS  16  -9.013 -17.132  21.364
  149    HZ1  LYS  16           HZ1      LYS  16 -11.063 -15.143  20.615
  150    HZ2  LYS  16           HZ2      LYS  16 -11.535 -16.688  21.137
  151    HZ3  LYS  16           HZ3      LYS  16 -10.521 -16.522  19.784
  152    H    LYS  17           HN       LYS  17 -12.148 -11.703  26.810
  153    HA   LYS  17           HA       LYS  17 -13.668 -13.123  28.899
  154    HB2  LYS  17           HB2      LYS  17 -12.470 -10.270  28.834
  155    HB3  LYS  17           HB1      LYS  17 -13.298 -11.033  30.244
  156    HG2  LYS  17           HG2      LYS  17 -11.468 -12.518  30.685
  157    HG3  LYS  17           HG1      LYS  17 -10.779 -12.385  29.030
  158    HD2  LYS  17           HD2      LYS  17  -9.304 -11.147  30.456
  159    HD3  LYS  17           HD1      LYS  17 -10.230  -9.925  29.531
  160    HE2  LYS  17           HE2      LYS  17 -11.688  -9.470  31.557
  161    HE3  LYS  17           HE1      LYS  17 -10.824 -10.766  32.481
  162    HZ1  LYS  17           HZ1      LYS  17  -9.342  -9.276  33.040
  163    HZ2  LYS  17           HZ2      LYS  17 -10.147  -8.072  32.153
  164    HZ3  LYS  17           HZ3      LYS  17  -8.927  -8.997  31.417
  Start of MODEL    2
    1    H1   GLU   1           HT1      GLU   1   7.722 -17.741  12.616
    2    H2   GLU   1           HT2      GLU   1   8.876 -18.451  11.592
    3    H3   GLU   1           HT3      GLU   1   9.342 -17.232  12.679
    4    HA   GLU   1           HA       GLU   1   8.106 -19.685  13.681
    5    HB2  GLU   1           HB2      GLU   1  11.039 -19.324  12.770
    6    HB3  GLU   1           HB1      GLU   1  10.606 -20.519  14.050
    7    HG2  GLU   1           HG2      GLU   1   9.052 -21.703  12.442
    8    HG3  GLU   1           HG1      GLU   1   9.488 -20.517  11.149
    9    H    MET   2           HN       MET   2   7.646 -19.275  15.815
   10    HA   MET   2           HA       MET   2   9.662 -17.925  17.446
   11    HB2  MET   2           HB2      MET   2   6.968 -16.775  16.776
   12    HB3  MET   2           HB1      MET   2   7.235 -16.997  18.535
   13    HG2  MET   2           HG2      MET   2   8.639 -15.128  16.580
   14    HG3  MET   2           HG1      MET   2   7.801 -14.795  18.130
   15    HE1  MET   2           HE1      MET   2  10.516 -13.489  17.177
   16    HE2  MET   2           HE2      MET   2  11.414 -13.453  18.733
   17    HE3  MET   2           HE3      MET   2   9.652 -13.101  18.706
   18    H    ALA   3           HN       ALA   3   9.441 -18.257  19.645
   19    HA   ALA   3           HA       ALA   3   7.741 -20.456  20.272
   20    HB1  ALA   3           HB1      ALA   3   9.795 -19.502  22.159
   21    HB2  ALA   3           HB2      ALA   3  10.270 -20.571  20.781
   22    HB3  ALA   3           HB3      ALA   3   9.069 -21.149  22.015
   23    H    LEU   4           HN       LEU   4   7.428 -17.350  20.377
   24    HA   LEU   4           HA       LEU   4   6.299 -17.421  23.007
   25    HB2  LEU   4           HB2      LEU   4   5.318 -15.326  21.327
   26    HB3  LEU   4           HB1      LEU   4   6.038 -15.203  22.959
   27    HG   LEU   4           HG       LEU   4   7.559 -15.529  20.377
   28   HD11  LEU   4          HD11      LEU   4   7.924 -13.014  20.492
   29   HD12  LEU   4          HD12      LEU   4   6.659 -12.973  21.797
   30   HD13  LEU   4          HD13      LEU   4   6.235 -13.589  20.146
   31   HD21  LEU   4          HD21      LEU   4   8.395 -15.123  23.281
   32   HD22  LEU   4          HD22      LEU   4   9.431 -14.385  21.985
   33   HD23  LEU   4          HD23      LEU   4   9.108 -16.176  21.989
   34    H    SER   5           HN       SER   5   5.790 -18.141  19.861
   35    HA   SER   5           HA       SER   5   3.278 -17.183  19.581
   36    HB2  SER   5           HB2      SER   5   4.824 -17.700  17.800
   37    HB3  SER   5           HB1      SER   5   4.723 -19.457  18.202
   38    HG   SER   5           HG       SER   5   3.405 -18.789  16.404
   39    H    LYS   6           HN       LYS   6   4.596 -19.670  21.414
   40    HA   LYS   6           HA       LYS   6   2.276 -21.436  21.572
   41    HB2  LYS   6           HB2      LYS   6   5.115 -21.151  22.667
   42    HB3  LYS   6           HB1      LYS   6   3.964 -22.225  23.558
   43    HG2  LYS   6           HG2      LYS   6   4.783 -23.859  22.205
   44    HG3  LYS   6           HG1      LYS   6   3.660 -23.185  20.984
   45    HD2  LYS   6           HD2      LYS   6   5.501 -21.765  20.041
   46    HD3  LYS   6           HD1      LYS   6   6.632 -22.394  21.291
   47    HE2  LYS   6           HE2      LYS   6   6.308 -24.765  20.358
   48    HE3  LYS   6           HE1      LYS   6   5.268 -24.069  19.049
   49    HZ1  LYS   6           HZ1      LYS   6   7.542 -24.417  18.362
   50    HZ2  LYS   6           HZ2      LYS   6   8.117 -23.374  19.574
   51    HZ3  LYS   6           HZ3      LYS   6   7.144 -22.767  18.322
   52    H    PHE   7           HN       PHE   7   4.215 -19.011  23.118
   53    HA   PHE   7           HA       PHE   7   2.818 -19.044  25.552
   54    HB2  PHE   7           HB2      PHE   7   4.562 -16.922  24.354
   55    HB3  PHE   7           HB1      PHE   7   3.909 -16.859  26.030
   56    HD1  PHE   7           HD1      PHE   7   6.774 -16.636  25.201
   57    HD2  PHE   7           HD2      PHE   7   4.511 -20.049  26.431
   58    HE1  PHE   7           HE1      PHE   7   8.758 -17.739  25.928
   59    HE2  PHE   7           HE2      PHE   7   6.504 -21.096  27.126
   60    HZ   PHE   7           HZ       PHE   7   8.689 -19.986  26.920
   61    H    PHE   8           HN       PHE   8   2.485 -17.515  22.458
   62    HA   PHE   8           HA       PHE   8   0.628 -15.645  23.115
   63    HB2  PHE   8           HB2      PHE   8   1.553 -16.877  20.615
   64    HB3  PHE   8           HB1      PHE   8  -0.135 -16.220  20.489
   65    HD1  PHE   8           HD1      PHE   8   3.218 -15.288  20.188
   66    HD2  PHE   8           HD2      PHE   8  -0.378 -14.244  21.930
   67    HE1  PHE   8           HE1      PHE   8   4.147 -13.326  20.932
   68    HE2  PHE   8           HE2      PHE   8   0.310 -12.262  22.675
   69    HZ   PHE   8           HZ       PHE   8   2.683 -11.710  22.145
   70    H    ARG   9           HN       ARG   9  -0.015 -18.926  22.425
   71    HA   ARG   9           HA       ARG   9  -2.685 -18.377  22.317
   72    HB2  ARG   9           HB2      ARG   9  -0.830 -20.647  22.277
   73    HB3  ARG   9           HB1      ARG   9  -2.260 -21.084  23.261
   74    HG2  ARG   9           HG2      ARG   9  -3.154 -21.772  21.290
   75    HG3  ARG   9           HG1      ARG   9  -3.495 -20.040  21.008
   76    HD2  ARG   9           HD2      ARG   9  -1.709 -19.778  19.452
   77    HD3  ARG   9           HD1      ARG   9  -0.799 -21.235  20.078
   78    HE   ARG   9           HE       ARG   9  -3.289 -22.220  19.225
   79   HH11  ARG   9          HH11      ARG   9  -0.559 -20.474  17.625
   80   HH12  ARG   9          HH12      ARG   9  -0.834 -21.196  16.075
   81   HH21  ARG   9          HH21      ARG   9  -3.610 -23.166  17.099
   82   HH22  ARG   9          HH22      ARG   9  -2.579 -22.735  15.776
   83    H    ASP  10           HN       ASP  10  -0.489 -18.117  24.968
   84    HA   ASP  10           HA       ASP  10  -2.659 -18.949  26.688
   85    HB2  ASP  10           HB2      ASP  10   0.243 -18.404  27.525
   86    HB3  ASP  10           HB1      ASP  10  -1.069 -18.881  28.659
   87    H    PHE  11           HN       PHE  11  -1.023 -15.918  25.696
   88    HA   PHE  11           HA       PHE  11  -2.006 -14.732  28.143
   89    HB2  PHE  11           HB2      PHE  11  -1.231 -12.952  25.836
   90    HB3  PHE  11           HB1      PHE  11  -1.024 -12.651  27.615
   91    HD1  PHE  11           HD1      PHE  11   0.058 -14.009  24.601
   92    HD2  PHE  11           HD2      PHE  11   1.100 -13.548  28.665
   93    HE1  PHE  11           HE1      PHE  11   2.185 -14.549  24.053
   94    HE2  PHE  11           HE2      PHE  11   3.405 -14.079  28.092
   95    HZ   PHE  11           HZ       PHE  11   4.031 -14.520  25.756
   96    H    ILE  12           HN       ILE  12  -2.454 -14.185  24.641
   97    HA   ILE  12           HA       ILE  12  -4.330 -12.104  25.022
   98    HB   ILE  12           HB       ILE  12  -4.571 -13.518  22.500
   99   HG12  ILE  12          HG12      ILE  12  -2.050 -11.984  22.458
  100   HG13  ILE  12          HG11      ILE  12  -1.937 -13.477  23.477
  101   HG21  ILE  12          HG21      ILE  12  -4.046 -10.562  23.235
  102   HG22  ILE  12          HG22      ILE  12  -5.640 -11.314  22.830
  103   HG23  ILE  12          HG23      ILE  12  -4.359 -11.189  21.569
  104   HD11  ILE  12          HD11      ILE  12  -1.838 -13.405  20.709
  105   HD12  ILE  12          HD12      ILE  12  -3.512 -14.021  21.089
  106   HD13  ILE  12          HD13      ILE  12  -2.065 -14.810  21.827
  107    H    LEU  13           HN       LEU  13  -4.588 -15.517  24.797
  108    HA   LEU  13           HA       LEU  13  -7.214 -15.458  23.965
  109    HB2  LEU  13           HB2      LEU  13  -5.212 -17.552  24.701
  110    HB3  LEU  13           HB1      LEU  13  -6.906 -18.022  24.278
  111    HG   LEU  13           HG       LEU  13  -6.504 -16.464  22.199
  112   HD11  LEU  13          HD11      LEU  13  -3.790 -16.419  23.311
  113   HD12  LEU  13          HD12      LEU  13  -4.664 -15.353  22.177
  114   HD13  LEU  13          HD13      LEU  13  -3.863 -16.814  21.539
  115   HD21  LEU  13          HD21      LEU  13  -6.881 -18.900  21.944
  116   HD22  LEU  13          HD22      LEU  13  -5.157 -19.230  22.365
  117   HD23  LEU  13          HD23      LEU  13  -5.564 -18.380  20.824
  118    H    GLN  14           HN       GLN  14  -5.655 -15.393  27.008
  119    HA   GLN  14           HA       GLN  14  -8.109 -16.101  28.492
  120    HB2  GLN  14           HB2      GLN  14  -5.368 -15.029  29.462
  121    HB3  GLN  14           HB1      GLN  14  -6.763 -15.386  30.563
  122    HG2  GLN  14           HG2      GLN  14  -6.693 -17.829  29.653
  123    HG3  GLN  14           HG1      GLN  14  -5.138 -17.383  28.849
  124   HE21  GLN  14          HE21      GLN  14  -3.282 -17.772  30.086
  125   HE22  GLN  14          HE22      GLN  14  -3.224 -17.852  31.817
  126    H    ARG  15           HN       ARG  15  -7.103 -13.514  26.635
  127    HA   ARG  15           HA       ARG  15  -8.231 -11.428  28.321
  128    HB2  ARG  15           HB2      ARG  15  -6.746 -11.380  25.652
  129    HB3  ARG  15           HB1      ARG  15  -7.243  -9.913  26.603
  130    HG2  ARG  15           HG2      ARG  15  -5.768 -11.932  28.191
  131    HG3  ARG  15           HG1      ARG  15  -4.841 -11.344  26.791
  132    HD2  ARG  15           HD2      ARG  15  -4.913  -9.066  27.492
  133    HD3  ARG  15           HD1      ARG  15  -6.232  -9.400  28.732
  134    HE   ARG  15           HE       ARG  15  -3.908 -11.005  29.377
  135   HH11  ARG  15          HH11      ARG  15  -4.862  -7.517  29.322
  136   HH12  ARG  15          HH12      ARG  15  -3.772  -7.067  30.590
  137   HH21  ARG  15          HH21      ARG  15  -2.455 -10.330  31.089
  138   HH22  ARG  15          HH22      ARG  15  -2.396  -8.675  31.599
  139    H    LYS  16           HN       LYS  16  -9.308 -13.640  26.194
  140    HA   LYS  16           HA       LYS  16 -11.016 -12.027  24.546
  141    HB2  LYS  16           HB2      LYS  16 -11.455 -14.927  25.456
  142    HB3  LYS  16           HB1      LYS  16 -12.264 -14.146  24.050
  143    HG2  LYS  16           HG2      LYS  16  -9.293 -14.834  24.333
  144    HG3  LYS  16           HG1      LYS  16 -10.464 -15.735  23.360
  145    HD2  LYS  16           HD2      LYS  16  -9.556 -12.823  22.803
  146    HD3  LYS  16           HD1      LYS  16  -8.817 -14.286  22.079
  147    HE2  LYS  16           HE2      LYS  16 -11.061 -14.870  21.003
  148    HE3  LYS  16           HE1      LYS  16 -11.772 -13.357  21.701
  149    HZ1  LYS  16           HZ1      LYS  16  -9.370 -13.340  19.955
  150    HZ2  LYS  16           HZ2      LYS  16 -10.395 -12.053  20.372
  151    HZ3  LYS  16           HZ3      LYS  16 -10.953 -13.285  19.344
  152    H    LYS  17           HN       LYS  17 -11.240 -13.756  27.586
  153    HA   LYS  17           HA       LYS  17 -12.671 -13.840  29.267
  154    HB2  LYS  17           HB2      LYS  17 -12.766 -10.816  28.681
  155    HB3  LYS  17           HB1      LYS  17 -13.195 -11.568  30.264
  156    HG2  LYS  17           HG2      LYS  17 -10.951 -12.144  30.757
  157    HG3  LYS  17           HG1      LYS  17 -10.446 -12.162  29.034
  158    HD2  LYS  17           HD2      LYS  17  -9.406 -10.225  29.999
  159    HD3  LYS  17           HD1      LYS  17 -10.761  -9.611  28.992
  160    HE2  LYS  17           HE2      LYS  17 -12.162  -9.237  31.065
  161    HE3  LYS  17           HE1      LYS  17 -10.847  -9.938  32.095
  162    HZ1  LYS  17           HZ1      LYS  17  -9.419  -8.120  31.084
  163    HZ2  LYS  17           HZ2      LYS  17 -10.602  -7.660  32.212
  164    HZ3  LYS  17           HZ3      LYS  17 -10.867  -7.408  30.553
  Start of MODEL    3
    1    H1   GLU   1           HT1      GLU   1  10.403 -20.749  14.959
    2    H2   GLU   1           HT2      GLU   1  11.039 -20.918  13.393
    3    H3   GLU   1           HT3      GLU   1   9.371 -21.096  13.655
    4    HA   GLU   1           HA       GLU   1  10.936 -18.768  13.233
    5    HB2  GLU   1           HB2      GLU   1   8.845 -19.620  11.933
    6    HB3  GLU   1           HB1      GLU   1   7.854 -19.074  13.331
    7    HG2  GLU   1           HG2      GLU   1   8.631 -16.693  12.970
    8    HG3  GLU   1           HG1      GLU   1   9.681 -17.235  11.603
    9    H    MET   2           HN       MET   2   8.202 -19.497  15.603
   10    HA   MET   2           HA       MET   2   9.513 -17.740  17.548
   11    HB2  MET   2           HB2      MET   2   6.858 -17.171  16.232
   12    HB3  MET   2           HB1      MET   2   6.836 -17.211  18.038
   13    HG2  MET   2           HG2      MET   2   8.396 -15.433  18.215
   14    HG3  MET   2           HG1      MET   2   8.855 -15.495  16.483
   15    HE1  MET   2           HE1      MET   2   8.660 -12.959  16.259
   16    HE2  MET   2           HE2      MET   2   8.247 -12.851  18.006
   17    HE3  MET   2           HE3      MET   2   7.259 -11.966  16.793
   18    H    ALA   3           HN       ALA   3   9.402 -18.513  19.516
   19    HA   ALA   3           HA       ALA   3   7.528 -20.609  19.966
   20    HB1  ALA   3           HB1      ALA   3  10.037 -20.926  20.493
   21    HB2  ALA   3           HB2      ALA   3   8.783 -21.509  21.670
   22    HB3  ALA   3           HB3      ALA   3   9.618 -19.925  21.935
   23    H    LEU   4           HN       LEU   4   7.365 -17.537  20.214
   24    HA   LEU   4           HA       LEU   4   6.275 -17.611  22.856
   25    HB2  LEU   4           HB2      LEU   4   5.345 -15.468  21.198
   26    HB3  LEU   4           HB1      LEU   4   6.093 -15.374  22.821
   27    HG   LEU   4           HG       LEU   4   7.555 -15.734  20.205
   28   HD11  LEU   4          HD11      LEU   4   8.014 -13.237  20.341
   29   HD12  LEU   4          HD12      LEU   4   6.789 -13.165  21.680
   30   HD13  LEU   4          HD13      LEU   4   6.295 -13.742  20.034
   31   HD21  LEU   4          HD21      LEU   4   8.465 -15.394  23.096
   32   HD22  LEU   4          HD22      LEU   4   9.501 -14.681  21.788
   33   HD23  LEU   4          HD23      LEU   4   9.112 -16.458  21.779
   34    H    SER   5           HN       SER   5   5.670 -18.254  19.697
   35    HA   SER   5           HA       SER   5   3.194 -17.195  19.486
   36    HB2  SER   5           HB2      SER   5   4.635 -17.713  17.651
   37    HB3  SER   5           HB1      SER   5   4.569 -19.470  18.045
   38    HG   SER   5           HG       SER   5   3.188 -18.730  16.283
   39    H    LYS   6           HN       LYS   6   4.437 -19.770  21.244
   40    HA   LYS   6           HA       LYS   6   2.041 -21.434  21.413
   41    HB2  LYS   6           HB2      LYS   6   4.912 -21.305  22.454
   42    HB3  LYS   6           HB1      LYS   6   3.733 -22.369  23.323
   43    HG2  LYS   6           HG2      LYS   6   4.397 -23.993  21.873
   44    HG3  LYS   6           HG1      LYS   6   3.362 -23.162  20.671
   45    HD2  LYS   6           HD2      LYS   6   5.391 -21.774  19.961
   46    HD3  LYS   6           HD1      LYS   6   6.397 -22.750  21.084
   47    HE2  LYS   6           HE2      LYS   6   4.760 -24.016  18.757
   48    HE3  LYS   6           HE1      LYS   6   6.484 -23.494  18.605
   49    HZ1  LYS   6           HZ1      LYS   6   7.102 -25.061  20.268
   50    HZ2  LYS   6           HZ2      LYS   6   6.165 -25.865  19.102
   51    HZ3  LYS   6           HZ3      LYS   6   5.487 -25.464  20.607
   52    H    PHE   7           HN       PHE   7   4.120 -19.126  22.960
   53    HA   PHE   7           HA       PHE   7   2.774 -19.151  25.425
   54    HB2  PHE   7           HB2      PHE   7   4.588 -17.082  24.234
   55    HB3  PHE   7           HB1      PHE   7   3.966 -17.023  25.923
   56    HD1  PHE   7           HD1      PHE   7   6.824 -16.908  25.052
   57    HD2  PHE   7           HD2      PHE   7   4.434 -20.244  26.251
   58    HE1  PHE   7           HE1      PHE   7   8.768 -18.110  25.722
   59    HE2  PHE   7           HE2      PHE   7   6.390 -21.392  26.890
   60    HZ   PHE   7           HZ       PHE   7   8.618 -20.372  26.670
   61    H    PHE   8           HN       PHE   8   2.443 -17.548  22.370
   62    HA   PHE   8           HA       PHE   8   0.677 -15.617  23.103
   63    HB2  PHE   8           HB2      PHE   8   1.501 -16.832  20.557
   64    HB3  PHE   8           HB1      PHE   8  -0.158 -16.100  20.481
   65    HD1  PHE   8           HD1      PHE   8   3.226 -15.305  20.131
   66    HD2  PHE   8           HD2      PHE   8  -0.286 -14.153  21.969
   67    HE1  PHE   8           HE1      PHE   8   4.252 -13.401  20.905
   68    HE2  PHE   8           HE2      PHE   8   0.496 -12.223  22.751
   69    HZ   PHE   8           HZ       PHE   8   2.881 -11.757  22.187
   70    H    ARG   9           HN       ARG   9  -0.111 -18.858  22.376
   71    HA   ARG   9           HA       ARG   9  -2.756 -18.202  22.323
   72    HB2  ARG   9           HB2      ARG   9  -1.000 -20.538  22.220
   73    HB3  ARG   9           HB1      ARG   9  -2.397 -20.928  23.267
   74    HG2  ARG   9           HG2      ARG   9  -3.424 -21.569  21.349
   75    HG3  ARG   9           HG1      ARG   9  -3.684 -19.824  21.060
   76    HD2  ARG   9           HD2      ARG   9  -1.971 -19.677  19.418
   77    HD3  ARG   9           HD1      ARG   9  -1.087 -21.152  20.041
   78    HE   ARG   9           HE       ARG   9  -3.646 -22.060  19.308
   79   HH11  ARG   9          HH11      ARG   9  -0.905 -20.471  17.570
   80   HH12  ARG   9          HH12      ARG   9  -1.263 -21.222  16.051
   81   HH21  ARG   9          HH21      ARG   9  -4.080 -23.045  17.222
   82   HH22  ARG   9          HH22      ARG   9  -3.078 -22.692  15.852
   83    H    ASP  10           HN       ASP  10  -0.499 -18.049  24.944
   84    HA   ASP  10           HA       ASP  10  -2.683 -18.777  26.687
   85    HB2  ASP  10           HB2      ASP  10   0.253 -18.395  27.487
   86    HB3  ASP  10           HB1      ASP  10  -1.066 -18.804  28.639
   87    H    PHE  11           HN       PHE  11  -0.895 -15.812  25.737
   88    HA   PHE  11           HA       PHE  11  -1.773 -14.606  28.216
   89    HB2  PHE  11           HB2      PHE  11  -0.959 -12.851  25.907
   90    HB3  PHE  11           HB1      PHE  11  -0.695 -12.573  27.682
   91    HD1  PHE  11           HD1      PHE  11   0.231 -14.001  24.640
   92    HD2  PHE  11           HD2      PHE  11   1.419 -13.543  28.666
   93    HE1  PHE  11           HE1      PHE  11   2.311 -14.638  24.031
   94    HE2  PHE  11           HE2      PHE  11   3.680 -14.181  28.028
   95    HZ   PHE  11           HZ       PHE  11   4.211 -14.677  25.679
   96    H    ILE  12           HN       ILE  12  -2.329 -14.140  24.717
   97    HA   ILE  12           HA       ILE  12  -4.094 -11.961  25.200
   98    HB   ILE  12           HB       ILE  12  -4.426 -13.233  22.627
   99   HG12  ILE  12          HG12      ILE  12  -1.825 -11.848  22.589
  100   HG13  ILE  12          HG11      ILE  12  -1.772 -13.373  23.571
  101   HG21  ILE  12          HG21      ILE  12  -5.346 -10.980  23.104
  102   HG22  ILE  12          HG22      ILE  12  -4.101 -10.878  21.805
  103   HG23  ILE  12          HG23      ILE  12  -3.693 -10.353  23.484
  104   HD11  ILE  12          HD11      ILE  12  -1.720 -13.237  20.804
  105   HD12  ILE  12          HD12      ILE  12  -3.420 -13.769  21.202
  106   HD13  ILE  12          HD13      ILE  12  -2.007 -14.655  21.893
  107    H    LEU  13           HN       LEU  13  -4.443 -15.378  24.931
  108    HA   LEU  13           HA       LEU  13  -7.100 -15.155  24.116
  109    HB2  LEU  13           HB2      LEU  13  -5.207 -17.394  24.675
  110    HB3  LEU  13           HB1      LEU  13  -6.943 -17.728  24.295
  111    HG   LEU  13           HG       LEU  13  -6.518 -16.063  22.304
  112   HD11  LEU  13          HD11      LEU  13  -3.922 -16.586  21.514
  113   HD12  LEU  13          HD12      LEU  13  -3.776 -16.242  23.293
  114   HD13  LEU  13          HD13      LEU  13  -4.615 -15.092  22.214
  115   HD21  LEU  13          HD21      LEU  13  -5.389 -18.931  22.236
  116   HD22  LEU  13          HD22      LEU  13  -5.763 -17.948  20.767
  117   HD23  LEU  13          HD23      LEU  13  -7.088 -18.432  21.893
  118    H    GLN  14           HN       GLN  14  -5.475 -15.165  27.092
  119    HA   GLN  14           HA       GLN  14  -7.808 -15.952  28.670
  120    HB2  GLN  14           HB2      GLN  14  -5.140 -14.605  29.457
  121    HB3  GLN  14           HB1      GLN  14  -6.480 -14.865  30.643
  122    HG2  GLN  14           HG2      GLN  14  -6.378 -17.380  30.109
  123    HG3  GLN  14           HG1      GLN  14  -4.931 -17.044  29.082
  124   HE21  GLN  14          HE21      GLN  14  -3.073 -17.656  30.230
  125   HE22  GLN  14          HE22      GLN  14  -2.771 -17.332  31.905
  126    H    ARG  15           HN       ARG  15  -7.229 -13.390  26.621
  127    HA   ARG  15           HA       ARG  15  -8.522 -11.326  28.204
  128    HB2  ARG  15           HB2      ARG  15  -7.562 -11.269  25.310
  129    HB3  ARG  15           HB1      ARG  15  -8.050  -9.826  26.306
  130    HG2  ARG  15           HG2      ARG  15  -5.754 -11.700  27.007
  131    HG3  ARG  15           HG1      ARG  15  -5.538 -10.324  25.893
  132    HD2  ARG  15           HD2      ARG  15  -6.486  -9.999  28.847
  133    HD3  ARG  15           HD1      ARG  15  -4.743  -9.892  28.270
  134    HE   ARG  15           HE       ARG  15  -6.321  -8.092  26.660
  135   HH11  ARG  15          HH11      ARG  15  -5.230  -8.400  30.093
  136   HH12  ARG  15          HH12      ARG  15  -5.248  -6.694  30.386
  137   HH21  ARG  15          HH21      ARG  15  -6.320  -5.793  27.119
  138   HH22  ARG  15          HH22      ARG  15  -5.871  -5.205  28.686
  139    H    LYS  16           HN       LYS  16  -9.332 -13.910  26.429
  140    HA   LYS  16           HA       LYS  16 -11.685 -12.740  25.168
  141    HB2  LYS  16           HB2      LYS  16 -10.649 -15.601  25.423
  142    HB3  LYS  16           HB1      LYS  16 -12.100 -15.132  24.460
  143    HG2  LYS  16           HG2      LYS  16 -10.751 -13.775  22.934
  144    HG3  LYS  16           HG1      LYS  16  -9.294 -13.935  23.963
  145    HD2  LYS  16           HD2      LYS  16  -8.907 -15.384  22.166
  146    HD3  LYS  16           HD1      LYS  16  -9.342 -16.429  23.553
  147    HE2  LYS  16           HE2      LYS  16 -11.652 -16.796  22.604
  148    HE3  LYS  16           HE1      LYS  16 -11.307 -15.637  21.257
  149    HZ1  LYS  16           HZ1      LYS  16  -9.586 -18.000  21.701
  150    HZ2  LYS  16           HZ2      LYS  16  -9.869 -17.110  20.282
  151    HZ3  LYS  16           HZ3      LYS  16 -11.071 -18.144  20.889
  152    H    LYS  17           HN       LYS  17 -12.270 -11.919  27.121
  153    HA   LYS  17           HA       LYS  17 -13.552 -13.734  29.056
  154    HB2  LYS  17           HB2      LYS  17 -12.835 -10.739  29.295
  155    HB3  LYS  17           HB1      LYS  17 -13.367 -11.826  30.632
  156    HG2  LYS  17           HG2      LYS  17 -11.269 -12.950  30.736
  157    HG3  LYS  17           HG1      LYS  17 -10.802 -12.527  29.055
  158    HD2  LYS  17           HD2      LYS  17  -9.409 -11.182  30.446
  159    HD3  LYS  17           HD1      LYS  17 -10.659 -10.069  29.806
  160    HE2  LYS  17           HE2      LYS  17 -11.891 -10.141  32.016
  161    HE3  LYS  17           HE1      LYS  17 -10.693 -11.339  32.656
  162    HZ1  LYS  17           HZ1      LYS  17 -10.363  -8.470  32.059
  163    HZ2  LYS  17           HZ2      LYS  17  -9.013  -9.500  32.027
  164    HZ3  LYS  17           HZ3      LYS  17  -9.939  -9.357  33.444
  Start of MODEL    4
    1    H1   GLU   1           HT1      GLU   1  10.851 -18.201  12.393
    2    H2   GLU   1           HT2      GLU   1   9.354 -17.497  12.775
    3    H3   GLU   1           HT3      GLU   1   9.426 -18.799  11.688
    4    HA   GLU   1           HA       GLU   1   8.689 -19.770  13.605
    5    HB2  GLU   1           HB2      GLU   1  11.756 -20.015  13.369
    6    HB3  GLU   1           HB1      GLU   1  10.868 -20.942  14.634
    7    HG2  GLU   1           HG2      GLU   1   9.462 -22.062  12.849
    8    HG3  GLU   1           HG1      GLU   1  10.367 -21.154  11.574
    9    H    MET   2           HN       MET   2   7.906 -19.227  15.604
   10    HA   MET   2           HA       MET   2   9.688 -17.784  17.469
   11    HB2  MET   2           HB2      MET   2   7.058 -16.847  16.370
   12    HB3  MET   2           HB1      MET   2   7.068 -17.023  18.165
   13    HG2  MET   2           HG2      MET   2   7.596 -14.753  17.681
   14    HG3  MET   2           HG1      MET   2   9.101 -15.531  18.260
   15    HE1  MET   2           HE1      MET   2   8.944 -12.704  16.897
   16    HE2  MET   2           HE2      MET   2  10.396 -12.755  15.841
   17    HE3  MET   2           HE3      MET   2  10.455 -13.485  17.480
   18    H    ALA   3           HN       ALA   3   9.490 -18.382  19.550
   19    HA   ALA   3           HA       ALA   3   7.621 -20.468  20.032
   20    HB1  ALA   3           HB1      ALA   3   9.672 -19.758  22.023
   21    HB2  ALA   3           HB2      ALA   3  10.136 -20.741  20.580
   22    HB3  ALA   3           HB3      ALA   3   8.874 -21.352  21.733
   23    H    LEU   4           HN       LEU   4   7.412 -17.389  20.255
   24    HA   LEU   4           HA       LEU   4   6.296 -17.484  22.892
   25    HB2  LEU   4           HB2      LEU   4   5.344 -15.348  21.238
   26    HB3  LEU   4           HB1      LEU   4   6.088 -15.251  22.861
   27    HG   LEU   4           HG       LEU   4   7.568 -15.583  20.251
   28   HD11  LEU   4          HD11      LEU   4   6.270 -13.618  20.064
   29   HD12  LEU   4          HD12      LEU   4   7.979 -13.077  20.384
   30   HD13  LEU   4          HD13      LEU   4   6.738 -13.024  21.708
   31   HD21  LEU   4          HD21      LEU   4   9.480 -14.487  21.847
   32   HD22  LEU   4          HD22      LEU   4   9.127 -16.270  21.837
   33   HD23  LEU   4          HD23      LEU   4   8.447 -15.219  23.148
   34    H    SER   5           HN       SER   5   5.736 -18.114  19.716
   35    HA   SER   5           HA       SER   5   3.245 -17.094  19.482
   36    HB2  SER   5           HB2      SER   5   4.757 -17.605  17.676
   37    HB3  SER   5           HB1      SER   5   4.627 -19.368  18.042
   38    HG   SER   5           HG       SER   5   3.301 -18.425  16.259
   39    H    LYS   6           HN       LYS   6   4.506 -19.666  21.229
   40    HA   LYS   6           HA       LYS   6   2.131 -21.363  21.355
   41    HB2  LYS   6           HB2      LYS   6   4.993 -21.216  22.419
   42    HB3  LYS   6           HB1      LYS   6   3.820 -22.310  23.258
   43    HG2  LYS   6           HG2      LYS   6   4.555 -23.890  21.786
   44    HG3  LYS   6           HG1      LYS   6   3.463 -23.086  20.618
   45    HD2  LYS   6           HD2      LYS   6   5.443 -21.607  19.902
   46    HD3  LYS   6           HD1      LYS   6   6.495 -22.603  20.960
   47    HE2  LYS   6           HE2      LYS   6   4.811 -23.824  18.645
   48    HE3  LYS   6           HE1      LYS   6   6.513 -23.247  18.446
   49    HZ1  LYS   6           HZ1      LYS   6   6.317 -24.954  20.698
   50    HZ2  LYS   6           HZ2      LYS   6   7.222 -25.136  19.272
   51    HZ3  LYS   6           HZ3      LYS   6   5.626 -25.715  19.346
   52    H    PHE   7           HN       PHE   7   4.166 -19.047  22.951
   53    HA   PHE   7           HA       PHE   7   2.807 -19.127  25.405
   54    HB2  PHE   7           HB2      PHE   7   4.598 -17.016  24.254
   55    HB3  PHE   7           HB1      PHE   7   3.963 -16.985  25.937
   56    HD1  PHE   7           HD1      PHE   7   6.823 -16.813  25.100
   57    HD2  PHE   7           HD2      PHE   7   4.479 -20.207  26.222
   58    HE1  PHE   7           HE1      PHE   7   8.782 -17.992  25.773
   59    HE2  PHE   7           HE2      PHE   7   6.447 -21.330  26.866
   60    HZ   PHE   7           HZ       PHE   7   8.659 -20.270  26.686
   61    H    PHE   8           HN       PHE   8   2.468 -17.493  22.370
   62    HA   PHE   8           HA       PHE   8   0.672 -15.594  23.109
   63    HB2  PHE   8           HB2      PHE   8   1.527 -16.784  20.562
   64    HB3  PHE   8           HB1      PHE   8  -0.148 -16.087  20.479
   65    HD1  PHE   8           HD1      PHE   8   3.226 -15.226  20.163
   66    HD2  PHE   8           HD2      PHE   8  -0.332 -14.144  21.954
   67    HE1  PHE   8           HE1      PHE   8   4.210 -13.308  20.948
   68    HE2  PHE   8           HE2      PHE   8   0.409 -12.197  22.743
   69    HZ   PHE   8           HZ       PHE   8   2.794 -11.687  22.211
   70    H    ARG   9           HN       ARG   9  -0.066 -18.839  22.352
   71    HA   ARG   9           HA       ARG   9  -2.723 -18.232  22.309
   72    HB2  ARG   9           HB2      ARG   9  -0.926 -20.527  22.154
   73    HB3  ARG   9           HB1      ARG   9  -2.287 -20.965  23.229
   74    HG2  ARG   9           HG2      ARG   9  -3.365 -21.599  21.341
   75    HG3  ARG   9           HG1      ARG   9  -3.636 -19.857  21.047
   76    HD2  ARG   9           HD2      ARG   9  -1.967 -19.713  19.369
   77    HD3  ARG   9           HD1      ARG   9  -1.046 -21.165  19.991
   78    HE   ARG   9           HE       ARG   9  -3.597 -22.135  19.320
   79   HH11  ARG   9          HH11      ARG   9  -0.950 -20.484  17.491
   80   HH12  ARG   9          HH12      ARG   9  -1.334 -21.254  15.989
   81   HH21  ARG   9          HH21      ARG   9  -4.064 -23.143  17.252
   82   HH22  ARG   9          HH22      ARG   9  -3.114 -22.773  15.853
   83    H    ASP  10           HN       ASP  10  -0.470 -18.075  24.934
   84    HA   ASP  10           HA       ASP  10  -2.641 -18.876  26.665
   85    HB2  ASP  10           HB2      ASP  10   0.287 -18.451  27.474
   86    HB3  ASP  10           HB1      ASP  10  -1.024 -18.881  28.627
   87    H    PHE  11           HN       PHE  11  -0.928 -15.865  25.739
   88    HA   PHE  11           HA       PHE  11  -1.828 -14.713  28.236
   89    HB2  PHE  11           HB2      PHE  11  -1.049 -12.908  25.949
   90    HB3  PHE  11           HB1      PHE  11  -0.788 -12.652  27.729
   91    HD1  PHE  11           HD1      PHE  11   0.175 -13.968  24.654
   92    HD2  PHE  11           HD2      PHE  11   1.328 -13.655  28.705
   93    HE1  PHE  11           HE1      PHE  11   2.268 -14.564  24.042
   94    HE2  PHE  11           HE2      PHE  11   3.599 -14.246  28.060
   95    HZ   PHE  11           HZ       PHE  11   4.155 -14.641  25.699
   96    H    ILE  12           HN       ILE  12  -2.367 -14.145  24.754
   97    HA   ILE  12           HA       ILE  12  -4.182 -12.024  25.252
   98    HB   ILE  12           HB       ILE  12  -4.489 -13.312  22.680
   99   HG12  ILE  12          HG12      ILE  12  -1.922 -11.856  22.657
  100   HG13  ILE  12          HG11      ILE  12  -1.840 -13.395  23.612
  101   HG21  ILE  12          HG21      ILE  12  -3.848 -10.410  23.530
  102   HG22  ILE  12          HG22      ILE  12  -5.478 -11.089  23.142
  103   HG23  ILE  12          HG23      ILE  12  -4.230 -10.953  21.849
  104   HD11  ILE  12          HD11      ILE  12  -3.471 -13.788  21.235
  105   HD12  ILE  12          HD12      ILE  12  -2.045 -14.656  21.920
  106   HD13  ILE  12          HD13      ILE  12  -1.789 -13.207  20.849
  107    H    LEU  13           HN       LEU  13  -4.486 -15.449  24.949
  108    HA   LEU  13           HA       LEU  13  -7.142 -15.261  24.146
  109    HB2  LEU  13           HB2      LEU  13  -5.213 -17.481  24.690
  110    HB3  LEU  13           HB1      LEU  13  -6.938 -17.837  24.281
  111    HG   LEU  13           HG       LEU  13  -6.506 -16.147  22.312
  112   HD11  LEU  13          HD11      LEU  13  -4.607 -15.149  22.293
  113   HD12  LEU  13          HD12      LEU  13  -3.894 -16.614  21.563
  114   HD13  LEU  13          HD13      LEU  13  -3.778 -16.320  23.353
  115   HD21  LEU  13          HD21      LEU  13  -5.331 -18.996  22.236
  116   HD22  LEU  13          HD22      LEU  13  -5.700 -18.005  20.771
  117   HD23  LEU  13          HD23      LEU  13  -7.034 -18.522  21.872
  118    H    GLN  14           HN       GLN  14  -5.524 -15.364  27.146
  119    HA   GLN  14           HA       GLN  14  -7.895 -16.196  28.660
  120    HB2  GLN  14           HB2      GLN  14  -5.231 -14.882  29.543
  121    HB3  GLN  14           HB1      GLN  14  -6.586 -15.234  30.695
  122    HG2  GLN  14           HG2      GLN  14  -6.427 -17.716  29.980
  123    HG3  GLN  14           HG1      GLN  14  -4.948 -17.275  29.042
  124   HE21  GLN  14          HE21      GLN  14  -3.062 -17.752  30.197
  125   HE22  GLN  14          HE22      GLN  14  -2.862 -17.607  31.913
  126    H    ARG  15           HN       ARG  15  -7.136 -13.578  26.747
  127    HA   ARG  15           HA       ARG  15  -8.562 -11.634  28.318
  128    HB2  ARG  15           HB2      ARG  15  -7.100 -11.375  25.673
  129    HB3  ARG  15           HB1      ARG  15  -7.770 -10.006  26.675
  130    HG2  ARG  15           HG2      ARG  15  -6.205 -11.564  28.465
  131    HG3  ARG  15           HG1      ARG  15  -5.277 -11.541  26.941
  132    HD2  ARG  15           HD2      ARG  15  -5.239  -9.078  26.895
  133    HD3  ARG  15           HD1      ARG  15  -6.400  -9.011  28.322
  134    HE   ARG  15           HE       ARG  15  -4.009 -10.519  29.044
  135   HH11  ARG  15          HH11      ARG  15  -5.063  -7.120  28.393
  136   HH12  ARG  15          HH12      ARG  15  -3.854  -6.414  29.413
  137   HH21  ARG  15          HH21      ARG  15  -2.397  -9.498  30.410
  138   HH22  ARG  15          HH22      ARG  15  -2.332  -7.774  30.564
  139    H    LYS  16           HN       LYS  16  -9.452 -14.067  26.663
  140    HA   LYS  16           HA       LYS  16 -11.520 -12.737  25.073
  141    HB2  LYS  16           HB2      LYS  16 -10.802 -15.667  25.581
  142    HB3  LYS  16           HB1      LYS  16 -12.185 -15.144  24.542
  143    HG2  LYS  16           HG2      LYS  16 -10.707 -14.055  22.948
  144    HG3  LYS  16           HG1      LYS  16  -9.286 -14.214  24.026
  145    HD2  LYS  16           HD2      LYS  16  -8.958 -15.863  22.394
  146    HD3  LYS  16           HD1      LYS  16  -9.523 -16.737  23.850
  147    HE2  LYS  16           HE2      LYS  16 -11.825 -17.003  22.849
  148    HE3  LYS  16           HE1      LYS  16 -11.340 -16.010  21.416
  149    HZ1  LYS  16           HZ1      LYS  16  -9.587 -18.235  21.935
  150    HZ2  LYS  16           HZ2      LYS  16 -10.359 -17.745  20.504
  151    HZ3  LYS  16           HZ3      LYS  16 -11.193 -18.699  21.635
  152    H    LYS  17           HN       LYS  17 -12.124 -11.706  26.908
  153    HA   LYS  17           HA       LYS  17 -13.683 -13.212  28.903
  154    HB2  LYS  17           HB2      LYS  17 -12.499 -10.354  28.966
  155    HB3  LYS  17           HB1      LYS  17 -13.320 -11.188  30.340
  156    HG2  LYS  17           HG2      LYS  17 -11.481 -12.680  30.711
  157    HG3  LYS  17           HG1      LYS  17 -10.796 -12.467  29.061
  158    HD2  LYS  17           HD2      LYS  17  -9.322 -11.284  30.533
  159    HD3  LYS  17           HD1      LYS  17 -10.267 -10.024  29.679
  160    HE2  LYS  17           HE2      LYS  17 -11.716  -9.693  31.736
  161    HE3  LYS  17           HE1      LYS  17 -10.827 -11.022  32.586
  162    HZ1  LYS  17           HZ1      LYS  17 -10.109  -8.740  33.124
  163    HZ2  LYS  17           HZ2      LYS  17  -9.545  -8.550  31.534
  164    HZ3  LYS  17           HZ3      LYS  17  -8.860  -9.732  32.543
  Start of MODEL    5
    1    H1   GLU   1           HT1      GLU   1   9.443 -17.296  12.810
    2    H2   GLU   1           HT2      GLU   1   8.906 -18.530  11.774
    3    H3   GLU   1           HT3      GLU   1  10.570 -18.298  12.028
    4    HA   GLU   1           HA       GLU   1   8.656 -19.757  13.552
    5    HB2  GLU   1           HB2      GLU   1  11.739 -19.619  13.381
    6    HB3  GLU   1           HB1      GLU   1  10.920 -20.682  14.587
    7    HG2  GLU   1           HG2      GLU   1   9.738 -21.918  12.723
    8    HG3  GLU   1           HG1      GLU   1  10.555 -20.863  11.504
    9    H    MET   2           HN       MET   2   7.850 -19.345  15.576
   10    HA   MET   2           HA       MET   2   9.436 -17.695  17.423
   11    HB2  MET   2           HB2      MET   2   6.746 -16.984  16.277
   12    HB3  MET   2           HB1      MET   2   6.794 -17.072  18.082
   13    HG2  MET   2           HG2      MET   2   8.405 -15.359  18.254
   14    HG3  MET   2           HG1      MET   2   8.854 -15.420  16.519
   15    HE1  MET   2           HE1      MET   2   8.393 -12.766  18.060
   16    HE2  MET   2           HE2      MET   2   7.439 -11.824  16.862
   17    HE3  MET   2           HE3      MET   2   8.782 -12.882  16.306
   18    H    ALA   3           HN       ALA   3   9.333 -18.353  19.460
   19    HA   ALA   3           HA       ALA   3   7.513 -20.472  19.985
   20    HB1  ALA   3           HB1      ALA   3   9.620 -19.717  21.905
   21    HB2  ALA   3           HB2      ALA   3  10.034 -20.729  20.468
   22    HB3  ALA   3           HB3      ALA   3   8.816 -21.319  21.678
   23    H    LEU   4           HN       LEU   4   7.298 -17.390  20.212
   24    HA   LEU   4           HA       LEU   4   6.236 -17.491  22.867
   25    HB2  LEU   4           HB2      LEU   4   5.255 -15.356  21.228
   26    HB3  LEU   4           HB1      LEU   4   6.010 -15.260  22.847
   27    HG   LEU   4           HG       LEU   4   7.461 -15.574  20.219
   28   HD11  LEU   4          HD11      LEU   4   6.659 -13.033  21.724
   29   HD12  LEU   4          HD12      LEU   4   6.167 -13.602  20.075
   30   HD13  LEU   4          HD13      LEU   4   7.882 -13.070  20.380
   31   HD21  LEU   4          HD21      LEU   4   8.385 -15.239  23.107
   32   HD22  LEU   4          HD22      LEU   4   9.402 -14.505  21.796
   33   HD23  LEU   4          HD23      LEU   4   9.039 -16.288  21.780
   34    H    SER   5           HN       SER   5   5.615 -18.119  19.707
   35    HA   SER   5           HA       SER   5   3.120 -17.099  19.526
   36    HB2  SER   5           HB2      SER   5   4.569 -17.581  17.679
   37    HB3  SER   5           HB1      SER   5   4.508 -19.345  18.051
   38    HG   SER   5           HG       SER   5   3.109 -18.473  16.300
   39    H    LYS   6           HN       LYS   6   4.419 -19.674  21.244
   40    HA   LYS   6           HA       LYS   6   2.048 -21.372  21.414
   41    HB2  LYS   6           HB2      LYS   6   4.926 -21.222  22.429
   42    HB3  LYS   6           HB1      LYS   6   3.769 -22.315  23.290
   43    HG2  LYS   6           HG2      LYS   6   4.451 -23.905  21.807
   44    HG3  LYS   6           HG1      LYS   6   3.379 -23.076  20.636
   45    HD2  LYS   6           HD2      LYS   6   5.386 -21.630  19.937
   46    HD3  LYS   6           HD1      LYS   6   6.417 -22.644  21.001
   47    HE2  LYS   6           HE2      LYS   6   4.732 -23.835  18.670
   48    HE3  LYS   6           HE1      LYS   6   6.445 -23.285  18.488
   49    HZ1  LYS   6           HZ1      LYS   6   5.828 -25.153  20.667
   50    HZ2  LYS   6           HZ2      LYS   6   7.207 -25.020  19.684
   51    HZ3  LYS   6           HZ3      LYS   6   5.797 -25.747  19.077
   52    H    PHE   7           HN       PHE   7   4.110 -19.056  22.973
   53    HA   PHE   7           HA       PHE   7   2.792 -19.134  25.449
   54    HB2  PHE   7           HB2      PHE   7   4.559 -17.024  24.265
   55    HB3  PHE   7           HB1      PHE   7   3.957 -16.994  25.962
   56    HD1  PHE   7           HD1      PHE   7   6.799 -16.819  25.064
   57    HD2  PHE   7           HD2      PHE   7   4.482 -20.215  26.238
   58    HE1  PHE   7           HE1      PHE   7   8.771 -17.995  25.696
   59    HE2  PHE   7           HE2      PHE   7   6.465 -21.336  26.840
   60    HZ   PHE   7           HZ       PHE   7   8.671 -20.273  26.613
   61    H    PHE   8           HN       PHE   8   2.401 -17.498  22.420
   62    HA   PHE   8           HA       PHE   8   0.619 -15.600  23.192
   63    HB2  PHE   8           HB2      PHE   8   1.428 -16.783  20.628
   64    HB3  PHE   8           HB1      PHE   8  -0.245 -16.082  20.577
   65    HD1  PHE   8           HD1      PHE   8   3.122 -15.227  20.203
   66    HD2  PHE   8           HD2      PHE   8  -0.397 -14.140  22.063
   67    HE1  PHE   8           HE1      PHE   8   4.122 -13.310  20.972
   68    HE2  PHE   8           HE2      PHE   8   0.359 -12.193  22.839
   69    HZ   PHE   8           HZ       PHE   8   2.732 -11.688  22.262
   70    H    ARG   9           HN       ARG   9  -0.134 -18.843  22.442
   71    HA   ARG   9           HA       ARG   9  -2.789 -18.231  22.434
   72    HB2  ARG   9           HB2      ARG   9  -0.995 -20.532  22.266
   73    HB3  ARG   9           HB1      ARG   9  -2.364 -20.964  23.336
   74    HG2  ARG   9           HG2      ARG   9  -3.440 -21.584  21.442
   75    HG3  ARG   9           HG1      ARG   9  -3.699 -19.839  21.155
   76    HD2  ARG   9           HD2      ARG   9  -2.040 -19.699  19.474
   77    HD3  ARG   9           HD1      ARG   9  -1.110 -21.144  20.102
   78    HE   ARG   9           HE       ARG   9  -3.665 -22.119  19.425
   79   HH11  ARG   9          HH11      ARG   9  -0.983 -20.504  17.619
   80   HH12  ARG   9          HH12      ARG   9  -1.348 -21.289  16.118
   81   HH21  ARG   9          HH21      ARG   9  -4.109 -23.150  17.363
   82   HH22  ARG   9          HH22      ARG   9  -3.135 -22.801  15.974
   83    H    ASP  10           HN       ASP  10  -0.499 -18.079  25.026
   84    HA   ASP  10           HA       ASP  10  -2.647 -18.868  26.789
   85    HB2  ASP  10           HB2      ASP  10   0.292 -18.457  27.560
   86    HB3  ASP  10           HB1      ASP  10  -1.009 -18.885  28.727
   87    H    PHE  11           HN       PHE  11  -0.924 -15.867  25.842
   88    HA   PHE  11           HA       PHE  11  -1.788 -14.708  28.348
   89    HB2  PHE  11           HB2      PHE  11  -1.038 -12.907  26.051
   90    HB3  PHE  11           HB1      PHE  11  -0.749 -12.652  27.827
   91    HD1  PHE  11           HD1      PHE  11   0.159 -13.981  24.742
   92    HD2  PHE  11           HD2      PHE  11   1.387 -13.643  28.767
   93    HE1  PHE  11           HE1      PHE  11   2.241 -14.579  24.092
   94    HE2  PHE  11           HE2      PHE  11   3.647 -14.237  28.083
   95    HZ   PHE  11           HZ       PHE  11   4.157 -14.647  25.715
   96    H    ILE  12           HN       ILE  12  -2.369 -14.143  24.870
   97    HA   ILE  12           HA       ILE  12  -4.175 -12.013  25.375
   98    HB   ILE  12           HB       ILE  12  -4.530 -13.332  22.821
   99   HG12  ILE  12          HG12      ILE  12  -1.972 -11.866  22.735
  100   HG13  ILE  12          HG11      ILE  12  -1.864 -13.395  23.703
  101   HG21  ILE  12          HG21      ILE  12  -4.285 -10.976  21.963
  102   HG22  ILE  12          HG22      ILE  12  -3.887 -10.418  23.633
  103   HG23  ILE  12          HG23      ILE  12  -5.519 -11.108  23.273
  104   HD11  ILE  12          HD11      ILE  12  -3.543 -13.814  21.360
  105   HD12  ILE  12          HD12      ILE  12  -2.104 -14.673  22.027
  106   HD13  ILE  12          HD13      ILE  12  -1.867 -13.236  20.939
  107    H    LEU  13           HN       LEU  13  -4.477 -15.437  25.092
  108    HA   LEU  13           HA       LEU  13  -7.166 -15.260  24.347
  109    HB2  LEU  13           HB2      LEU  13  -5.218 -17.470  24.858
  110    HB3  LEU  13           HB1      LEU  13  -6.952 -17.837  24.504
  111    HG   LEU  13           HG       LEU  13  -6.595 -16.195  22.483
  112   HD11  LEU  13          HD11      LEU  13  -3.832 -16.281  23.468
  113   HD12  LEU  13          HD12      LEU  13  -4.715 -15.152  22.403
  114   HD13  LEU  13          HD13      LEU  13  -3.986 -16.619  21.689
  115   HD21  LEU  13          HD21      LEU  13  -7.070 -18.594  22.120
  116   HD22  LEU  13          HD22      LEU  13  -5.348 -19.014  22.456
  117   HD23  LEU  13          HD23      LEU  13  -5.775 -18.072  20.975
  118    H    GLN  14           HN       GLN  14  -5.483 -15.290  27.312
  119    HA   GLN  14           HA       GLN  14  -7.839 -16.093  28.878
  120    HB2  GLN  14           HB2      GLN  14  -5.154 -14.787  29.705
  121    HB3  GLN  14           HB1      GLN  14  -6.497 -15.106  30.879
  122    HG2  GLN  14           HG2      GLN  14  -6.366 -17.598  30.243
  123    HG3  GLN  14           HG1      GLN  14  -4.923 -17.205  29.231
  124   HE21  GLN  14          HE21      GLN  14  -3.035 -17.781  30.337
  125   HE22  GLN  14          HE22      GLN  14  -2.743 -17.546  32.028
  126    H    ARG  15           HN       ARG  15  -6.987 -13.481  26.957
  127    HA   ARG  15           HA       ARG  15  -8.478 -11.463  28.449
  128    HB2  ARG  15           HB2      ARG  15  -6.905 -11.297  25.843
  129    HB3  ARG  15           HB1      ARG  15  -7.542  -9.907  26.822
  130    HG2  ARG  15           HG2      ARG  15  -5.922 -11.678  28.500
  131    HG3  ARG  15           HG1      ARG  15  -5.026 -11.271  27.017
  132    HD2  ARG  15           HD2      ARG  15  -5.151  -8.908  27.410
  133    HD3  ARG  15           HD1      ARG  15  -6.425  -9.128  28.730
  134    HE   ARG  15           HE       ARG  15  -4.046 -10.572  29.506
  135   HH11  ARG  15          HH11      ARG  15  -5.046  -7.138  28.977
  136   HH12  ARG  15          HH12      ARG  15  -3.924  -6.498  30.132
  137   HH21  ARG  15          HH21      ARG  15  -2.548  -9.642  31.055
  138   HH22  ARG  15          HH22      ARG  15  -2.497  -7.931  31.318
  139    H    LYS  16           HN       LYS  16  -8.944 -13.933  26.346
  140    HA   LYS  16           HA       LYS  16 -11.002 -12.638  24.774
  141    HB2  LYS  16           HB2      LYS  16  -9.486 -15.171  24.709
  142    HB3  LYS  16           HB1      LYS  16 -11.222 -15.466  24.491
  143    HG2  LYS  16           HG2      LYS  16 -10.281 -15.263  22.322
  144    HG3  LYS  16           HG1      LYS  16 -11.237 -13.765  22.639
  145    HD2  LYS  16           HD2      LYS  16  -9.201 -12.435  22.862
  146    HD3  LYS  16           HD1      LYS  16  -8.173 -13.900  22.980
  147    HE2  LYS  16           HE2      LYS  16  -7.843 -12.967  20.744
  148    HE3  LYS  16           HE1      LYS  16  -8.838 -14.461  20.534
  149    HZ1  LYS  16           HZ1      LYS  16  -9.426 -11.780  19.839
  150    HZ2  LYS  16           HZ2      LYS  16 -10.611 -12.354  20.912
  151    HZ3  LYS  16           HZ3      LYS  16 -10.278 -13.204  19.479
  152    H    LYS  17           HN       LYS  17 -12.014 -11.874  26.439
  153    HA   LYS  17           HA       LYS  17 -13.527 -13.672  28.217
  154    HB2  LYS  17           HB2      LYS  17 -12.682 -10.708  28.518
  155    HB3  LYS  17           HB1      LYS  17 -13.599 -11.657  29.749
  156    HG2  LYS  17           HG2      LYS  17 -11.688 -12.992  30.326
  157    HG3  LYS  17           HG1      LYS  17 -10.813 -12.632  28.796
  158    HD2  LYS  17           HD2      LYS  17  -9.678 -11.375  30.497
  159    HD3  LYS  17           HD1      LYS  17 -10.632 -10.181  29.566
  160    HE2  LYS  17           HE2      LYS  17 -12.371 -10.096  31.409
  161    HE3  LYS  17           HE1      LYS  17 -11.473 -11.371  32.328
  162    HZ1  LYS  17           HZ1      LYS  17 -10.238  -8.789  31.534
  163    HZ2  LYS  17           HZ2      LYS  17  -9.715  -9.909  32.699
  164    HZ3  LYS  17           HZ3      LYS  17 -11.116  -8.989  32.975
  Start of MODEL    6
    1    H1   GLU   1           HT1      GLU   1   9.906 -20.841  14.866
    2    H2   GLU   1           HT2      GLU   1  11.155 -20.737  13.719
    3    H3   GLU   1           HT3      GLU   1   9.581 -21.144  13.228
    4    HA   GLU   1           HA       GLU   1  10.649 -18.713  13.105
    5    HB2  GLU   1           HB2      GLU   1   7.706 -19.617  13.363
    6    HB3  GLU   1           HB1      GLU   1   8.119 -17.890  13.048
    7    HG2  GLU   1           HG2      GLU   1   9.339 -18.551  10.931
    8    HG3  GLU   1           HG1      GLU   1   8.919 -20.283  11.231
    9    H    MET   2           HN       MET   2   8.020 -19.351  15.605
   10    HA   MET   2           HA       MET   2   9.534 -17.700  17.518
   11    HB2  MET   2           HB2      MET   2   6.846 -17.023  16.330
   12    HB3  MET   2           HB1      MET   2   6.882 -17.112  18.131
   13    HG2  MET   2           HG2      MET   2   7.230 -14.838  17.606
   14    HG3  MET   2           HG1      MET   2   8.836 -15.463  18.088
   15    HE1  MET   2           HE1      MET   2   9.918 -13.308  17.176
   16    HE2  MET   2           HE2      MET   2   8.301 -12.698  16.680
   17    HE3  MET   2           HE3      MET   2   9.677 -12.635  15.526
   18    H    ALA   3           HN       ALA   3   9.392 -18.386  19.542
   19    HA   ALA   3           HA       ALA   3   7.559 -20.511  20.035
   20    HB1  ALA   3           HB1      ALA   3   8.842 -21.360  21.743
   21    HB2  ALA   3           HB2      ALA   3   9.623 -19.748  22.003
   22    HB3  ALA   3           HB3      ALA   3  10.082 -20.753  20.572
   23    H    LEU   4           HN       LEU   4   7.315 -17.443  20.229
   24    HA   LEU   4           HA       LEU   4   6.231 -17.498  22.879
   25    HB2  LEU   4           HB2      LEU   4   5.234 -15.408  21.191
   26    HB3  LEU   4           HB1      LEU   4   6.001 -15.265  22.800
   27    HG   LEU   4           HG       LEU   4   7.447 -15.644  20.175
   28   HD11  LEU   4          HD11      LEU   4   6.606 -13.063  21.583
   29   HD12  LEU   4          HD12      LEU   4   6.130 -13.699  19.955
   30   HD13  LEU   4          HD13      LEU   4   7.835 -13.132  20.247
   31   HD21  LEU   4          HD21      LEU   4   9.039 -16.276  21.750
   32   HD22  LEU   4          HD22      LEU   4   8.366 -15.204  23.049
   33   HD23  LEU   4          HD23      LEU   4   9.369 -14.488  21.717
   34    H    SER   5           HN       SER   5   5.639 -18.234  19.737
   35    HA   SER   5           HA       SER   5   3.134 -17.249  19.504
   36    HB2  SER   5           HB2      SER   5   4.604 -17.802  17.685
   37    HB3  SER   5           HB1      SER   5   4.532 -19.551  18.123
   38    HG   SER   5           HG       SER   5   3.132 -18.640  16.336
   39    H    LYS   6           HN       LYS   6   4.455 -19.732  21.332
   40    HA   LYS   6           HA       LYS   6   2.117 -21.465  21.561
   41    HB2  LYS   6           HB2      LYS   6   4.982 -21.206  22.590
   42    HB3  LYS   6           HB1      LYS   6   3.840 -22.267  23.508
   43    HG2  LYS   6           HG2      LYS   6   4.592 -23.917  22.140
   44    HG3  LYS   6           HG1      LYS   6   3.481 -23.214  20.925
   45    HD2  LYS   6           HD2      LYS   6   5.350 -21.835  19.975
   46    HD3  LYS   6           HD1      LYS   6   6.471 -22.487  21.223
   47    HE2  LYS   6           HE2      LYS   6   6.080 -24.856  20.292
   48    HE3  LYS   6           HE1      LYS   6   5.068 -24.126  18.979
   49    HZ1  LYS   6           HZ1      LYS   6   7.056 -24.203  17.977
   50    HZ2  LYS   6           HZ2      LYS   6   7.960 -24.047  19.406
   51    HZ3  LYS   6           HZ3      LYS   6   7.235 -22.680  18.707
   52    H    PHE   7           HN       PHE   7   4.122 -19.048  23.034
   53    HA   PHE   7           HA       PHE   7   2.776 -19.039  25.500
   54    HB2  PHE   7           HB2      PHE   7   4.528 -16.954  24.245
   55    HB3  PHE   7           HB1      PHE   7   3.906 -16.862  25.932
   56    HD1  PHE   7           HD1      PHE   7   6.757 -16.689  25.052
   57    HD2  PHE   7           HD2      PHE   7   4.469 -20.058  26.356
   58    HE1  PHE   7           HE1      PHE   7   8.738 -17.813  25.755
   59    HE2  PHE   7           HE2      PHE   7   6.459 -21.127  27.024
   60    HZ   PHE   7           HZ       PHE   7   8.656 -20.049  26.769
   61    H    PHE   8           HN       PHE   8   2.397 -17.539  22.397
   62    HA   PHE   8           HA       PHE   8   0.579 -15.637  23.074
   63    HB2  PHE   8           HB2      PHE   8   1.431 -16.909  20.567
   64    HB3  PHE   8           HB1      PHE   8  -0.249 -16.229  20.472
   65    HD1  PHE   8           HD1      PHE   8   3.112 -15.349  20.100
   66    HD2  PHE   8           HD2      PHE   8  -0.440 -14.236  21.885
   67    HE1  PHE   8           HE1      PHE   8   4.081 -13.391  20.806
   68    HE2  PHE   8           HE2      PHE   8   0.287 -12.254  22.597
   69    HZ   PHE   8           HZ       PHE   8   2.661 -11.741  22.023
   70    H    ARG   9           HN       ARG   9  -0.118 -18.918  22.439
   71    HA   ARG   9           HA       ARG   9  -2.783 -18.340  22.381
   72    HB2  ARG   9           HB2      ARG   9  -0.957 -20.629  22.328
   73    HB3  ARG   9           HB1      ARG   9  -2.356 -21.036  23.368
   74    HG2  ARG   9           HG2      ARG   9  -3.342 -21.740  21.450
   75    HG3  ARG   9           HG1      ARG   9  -3.646 -20.007  21.127
   76    HD2  ARG   9           HD2      ARG   9  -1.915 -19.840  19.506
   77    HD3  ARG   9           HD1      ARG   9  -1.005 -21.286  20.157
   78    HE   ARG   9           HE       ARG   9  -3.537 -22.260  19.412
   79   HH11  ARG   9          HH11      ARG   9  -0.814 -20.634  17.678
   80   HH12  ARG   9          HH12      ARG   9  -1.140 -21.413  16.167
   81   HH21  ARG   9          HH21      ARG   9  -3.927 -23.283  17.333
   82   HH22  ARG   9          HH22      ARG   9  -2.919 -22.926  15.971
   83    H    ASP  10           HN       ASP  10  -0.526 -18.068  24.984
   84    HA   ASP  10           HA       ASP  10  -2.672 -18.844  26.757
   85    HB2  ASP  10           HB2      ASP  10   0.254 -18.335  27.527
   86    HB3  ASP  10           HB1      ASP  10  -1.040 -18.773  28.695
   87    H    PHE  11           HN       PHE  11  -1.012 -15.845  25.702
   88    HA   PHE  11           HA       PHE  11  -1.918 -14.616  28.159
   89    HB2  PHE  11           HB2      PHE  11  -1.179 -12.881  25.806
   90    HB3  PHE  11           HB1      PHE  11  -0.924 -12.554  27.574
   91    HD1  PHE  11           HD1      PHE  11   0.065 -13.979  24.556
   92    HD2  PHE  11           HD2      PHE  11   1.216 -13.459  28.585
   93    HE1  PHE  11           HE1      PHE  11   2.170 -14.558  23.966
   94    HE2  PHE  11           HE2      PHE  11   3.499 -14.031  27.963
   95    HZ   PHE  11           HZ       PHE  11   4.059 -14.523  25.621
   96    H    ILE  12           HN       ILE  12  -2.458 -14.145  24.662
   97    HA   ILE  12           HA       ILE  12  -4.302 -12.033  25.069
   98    HB   ILE  12           HB       ILE  12  -4.604 -13.444  22.557
   99   HG12  ILE  12          HG12      ILE  12  -2.059 -11.953  22.467
  100   HG13  ILE  12          HG11      ILE  12  -1.953 -13.449  23.485
  101   HG21  ILE  12          HG21      ILE  12  -4.010 -10.498  23.279
  102   HG22  ILE  12          HG22      ILE  12  -5.627 -11.219  22.913
  103   HG23  ILE  12          HG23      ILE  12  -4.374 -11.120  21.622
  104   HD11  ILE  12          HD11      ILE  12  -2.136 -14.780  21.842
  105   HD12  ILE  12          HD12      ILE  12  -1.910 -13.373  20.713
  106   HD13  ILE  12          HD13      ILE  12  -3.583 -13.969  21.131
  107    H    LEU  13           HN       LEU  13  -4.585 -15.467  24.906
  108    HA   LEU  13           HA       LEU  13  -7.236 -15.349  24.108
  109    HB2  LEU  13           HB2      LEU  13  -5.266 -17.499  24.775
  110    HB3  LEU  13           HB1      LEU  13  -6.981 -17.916  24.381
  111    HG   LEU  13           HG       LEU  13  -6.577 -16.338  22.314
  112   HD11  LEU  13          HD11      LEU  13  -3.958 -16.767  21.597
  113   HD12  LEU  13          HD12      LEU  13  -3.845 -16.383  23.372
  114   HD13  LEU  13          HD13      LEU  13  -4.706 -15.285  22.261
  115   HD21  LEU  13          HD21      LEU  13  -7.032 -18.756  22.029
  116   HD22  LEU  13          HD22      LEU  13  -5.312 -19.146  22.410
  117   HD23  LEU  13          HD23      LEU  13  -5.721 -18.258  20.891
  118    H    GLN  14           HN       GLN  14  -5.601 -15.289  27.101
  119    HA   GLN  14           HA       GLN  14  -7.997 -16.010  28.651
  120    HB2  GLN  14           HB2      GLN  14  -5.274 -14.805  29.506
  121    HB3  GLN  14           HB1      GLN  14  -6.635 -15.115  30.661
  122    HG2  GLN  14           HG2      GLN  14  -6.550 -17.605  29.926
  123    HG3  GLN  14           HG1      GLN  14  -5.040 -17.198  29.021
  124   HE21  GLN  14          HE21      GLN  14  -3.157 -17.612  30.203
  125   HE22  GLN  14          HE22      GLN  14  -3.006 -17.524  31.927
  126    H    ARG  15           HN       ARG  15  -7.138 -13.458  26.669
  127    HA   ARG  15           HA       ARG  15  -8.356 -11.405  28.290
  128    HB2  ARG  15           HB2      ARG  15  -6.901 -11.313  25.622
  129    HB3  ARG  15           HB1      ARG  15  -7.471  -9.862  26.558
  130    HG2  ARG  15           HG2      ARG  15  -5.925 -11.661  28.267
  131    HG3  ARG  15           HG1      ARG  15  -5.020 -11.309  26.777
  132    HD2  ARG  15           HD2      ARG  15  -5.071  -8.929  27.132
  133    HD3  ARG  15           HD1      ARG  15  -6.324  -9.092  28.474
  134    HE   ARG  15           HE       ARG  15  -3.979 -10.603  29.226
  135   HH11  ARG  15          HH11      ARG  15  -4.887  -7.145  28.682
  136   HH12  ARG  15          HH12      ARG  15  -3.725  -6.529  29.807
  137   HH21  ARG  15          HH21      ARG  15  -2.424  -9.703  30.736
  138   HH22  ARG  15          HH22      ARG  15  -2.317  -7.992  30.981
  139    H    LYS  16           HN       LYS  16  -9.311 -13.687  26.213
  140    HA   LYS  16           HA       LYS  16 -11.134 -12.265  24.544
  141    HB2  LYS  16           HB2      LYS  16 -11.128 -15.126  25.655
  142    HB3  LYS  16           HB1      LYS  16 -12.307 -14.564  24.401
  143    HG2  LYS  16           HG2      LYS  16 -10.539 -14.188  22.770
  144    HG3  LYS  16           HG1      LYS  16  -9.259 -14.369  24.005
  145    HD2  LYS  16           HD2      LYS  16  -9.167 -16.384  22.829
  146    HD3  LYS  16           HD1      LYS  16 -10.059 -16.778  24.332
  147    HE2  LYS  16           HE2      LYS  16 -12.256 -16.757  23.091
  148    HE3  LYS  16           HE1      LYS  16 -11.410 -16.258  21.570
  149    HZ1  LYS  16           HZ1      LYS  16 -10.394 -18.313  21.406
  150    HZ2  LYS  16           HZ2      LYS  16 -11.970 -18.688  21.919
  151    HZ3  LYS  16           HZ3      LYS  16 -10.682 -18.735  23.025
  152    H    LYS  17           HN       LYS  17 -11.233 -13.817  27.665
  153    HA   LYS  17           HA       LYS  17 -12.626 -13.875  29.384
  154    HB2  LYS  17           HB2      LYS  17 -12.825 -10.895  28.622
  155    HB3  LYS  17           HB1      LYS  17 -13.278 -11.554  30.239
  156    HG2  LYS  17           HG2      LYS  17 -11.037 -12.009  30.835
  157    HG3  LYS  17           HG1      LYS  17 -10.483 -12.168  29.133
  158    HD2  LYS  17           HD2      LYS  17  -9.510 -10.119  29.960
  159    HD3  LYS  17           HD1      LYS  17 -10.832  -9.646  28.847
  160    HE2  LYS  17           HE2      LYS  17 -10.890  -8.140  30.809
  161    HE3  LYS  17           HE1      LYS  17 -12.338  -9.210  30.925
  162    HZ1  LYS  17           HZ1      LYS  17 -11.422  -9.165  33.027
  163    HZ2  LYS  17           HZ2      LYS  17  -9.819  -9.289  32.484
  164    HZ3  LYS  17           HZ3      LYS  17 -10.849 -10.636  32.401
  Start of MODEL    7
    1    H1   GLU   1           HT1      GLU   1  10.571 -18.573  11.821
    2    H2   GLU   1           HT2      GLU   1  10.393 -17.298  12.927
    3    H3   GLU   1           HT3      GLU   1   9.020 -18.048  12.270
    4    HA   GLU   1           HA       GLU   1   9.101 -19.787  13.622
    5    HB2  GLU   1           HB2      GLU   1  12.171 -19.428  13.521
    6    HB3  GLU   1           HB1      GLU   1  11.407 -20.570  14.691
    7    HG2  GLU   1           HG2      GLU   1  10.350 -21.849  12.780
    8    HG3  GLU   1           HG1      GLU   1  11.119 -20.717  11.599
    9    H    MET   2           HN       MET   2   8.071 -19.261  15.520
   10    HA   MET   2           HA       MET   2   9.564 -17.663  17.504
   11    HB2  MET   2           HB2      MET   2   6.906 -16.996  16.246
   12    HB3  MET   2           HB1      MET   2   6.899 -17.083  18.048
   13    HG2  MET   2           HG2      MET   2   7.252 -14.800  17.501
   14    HG3  MET   2           HG1      MET   2   8.822 -15.427  18.075
   15    HE1  MET   2           HE1      MET   2   6.730 -15.262  14.624
   16    HE2  MET   2           HE2      MET   2   7.616 -13.899  13.858
   17    HE3  MET   2           HE3      MET   2   6.795 -13.659  15.439
   18    H    ALA   3           HN       ALA   3   9.420 -18.409  19.495
   19    HA   ALA   3           HA       ALA   3   7.549 -20.509  19.937
   20    HB1  ALA   3           HB1      ALA   3  10.068 -20.797  20.479
   21    HB2  ALA   3           HB2      ALA   3   8.809 -21.413  21.634
   22    HB3  ALA   3           HB3      ALA   3   9.617 -19.821  21.929
   23    H    LEU   4           HN       LEU   4   7.344 -17.447  20.174
   24    HA   LEU   4           HA       LEU   4   6.262 -17.516  22.821
   25    HB2  LEU   4           HB2      LEU   4   5.278 -15.405  21.155
   26    HB3  LEU   4           HB1      LEU   4   6.051 -15.281  22.763
   27    HG   LEU   4           HG       LEU   4   7.483 -15.645  20.128
   28   HD11  LEU   4          HD11      LEU   4   6.184 -13.687  19.936
   29   HD12  LEU   4          HD12      LEU   4   7.893 -13.134  20.234
   30   HD13  LEU   4          HD13      LEU   4   6.665 -13.075  21.570
   31   HD21  LEU   4          HD21      LEU   4   8.421 -15.252  23.002
   32   HD22  LEU   4          HD22      LEU   4   9.422 -14.521  21.678
   33   HD23  LEU   4          HD23      LEU   4   9.081 -16.308  21.685
   34    H    SER   5           HN       SER   5   5.653 -18.208  19.667
   35    HA   SER   5           HA       SER   5   3.155 -17.198  19.456
   36    HB2  SER   5           HB2      SER   5   4.618 -17.738  17.626
   37    HB3  SER   5           HB1      SER   5   4.530 -19.492  18.039
   38    HG   SER   5           HG       SER   5   3.116 -18.449  16.280
   39    H    LYS   6           HN       LYS   6   4.460 -19.723  21.240
   40    HA   LYS   6           HA       LYS   6   2.107 -21.437  21.447
   41    HB2  LYS   6           HB2      LYS   6   4.981 -21.228  22.460
   42    HB3  LYS   6           HB1      LYS   6   3.835 -22.293  23.367
   43    HG2  LYS   6           HG2      LYS   6   4.602 -23.914  21.961
   44    HG3  LYS   6           HG1      LYS   6   3.428 -23.217  20.803
   45    HD2  LYS   6           HD2      LYS   6   5.249 -21.786  19.805
   46    HD3  LYS   6           HD1      LYS   6   6.426 -22.477  20.979
   47    HE2  LYS   6           HE2      LYS   6   6.014 -24.808  19.997
   48    HE3  LYS   6           HE1      LYS   6   4.901 -24.067  18.777
   49    HZ1  LYS   6           HZ1      LYS   6   7.826 -23.818  19.057
   50    HZ2  LYS   6           HZ2      LYS   6   6.940 -22.599  18.274
   51    HZ3  LYS   6           HZ3      LYS   6   6.884 -24.194  17.694
   52    H    PHE   7           HN       PHE   7   4.142 -19.067  22.953
   53    HA   PHE   7           HA       PHE   7   2.814 -19.091  25.428
   54    HB2  PHE   7           HB2      PHE   7   4.579 -17.000  24.202
   55    HB3  PHE   7           HB1      PHE   7   3.975 -16.942  25.898
   56    HD1  PHE   7           HD1      PHE   7   6.817 -16.773  25.007
   57    HD2  PHE   7           HD2      PHE   7   4.510 -20.161  26.226
   58    HE1  PHE   7           HE1      PHE   7   8.794 -17.934  25.661
   59    HE2  PHE   7           HE2      PHE   7   6.495 -21.266  26.849
   60    HZ   PHE   7           HZ       PHE   7   8.699 -20.199  26.610
   61    H    PHE   8           HN       PHE   8   2.430 -17.532  22.356
   62    HA   PHE   8           HA       PHE   8   0.636 -15.623  23.078
   63    HB2  PHE   8           HB2      PHE   8   1.459 -16.864  20.544
   64    HB3  PHE   8           HB1      PHE   8  -0.216 -16.170  20.471
   65    HD1  PHE   8           HD1      PHE   8   3.149 -15.310  20.083
   66    HD2  PHE   8           HD2      PHE   8  -0.380 -14.200  21.915
   67    HE1  PHE   8           HE1      PHE   8   4.138 -13.372  20.812
   68    HE2  PHE   8           HE2      PHE   8   0.367 -12.238  22.651
   69    HZ   PHE   8           HZ       PHE   8   2.739 -11.730  22.068
   70    H    ARG   9           HN       ARG   9  -0.092 -18.887  22.394
   71    HA   ARG   9           HA       ARG   9  -2.751 -18.294  22.360
   72    HB2  ARG   9           HB2      ARG   9  -0.942 -20.584  22.242
   73    HB3  ARG   9           HB1      ARG   9  -2.300 -21.005  23.329
   74    HG2  ARG   9           HG2      ARG   9  -3.392 -21.670  21.461
   75    HG3  ARG   9           HG1      ARG   9  -3.651 -19.935  21.123
   76    HD2  ARG   9           HD2      ARG   9  -2.000 -19.847  19.433
   77    HD3  ARG   9           HD1      ARG   9  -1.064 -21.269  20.100
   78    HE   ARG   9           HE       ARG   9  -3.616 -22.277  19.469
   79   HH11  ARG   9          HH11      ARG   9  -0.965 -20.692  17.589
   80   HH12  ARG   9          HH12      ARG   9  -1.341 -21.519  16.115
   81   HH21  ARG   9          HH21      ARG   9  -4.073 -23.365  17.443
   82   HH22  ARG   9          HH22      ARG   9  -3.120 -23.048  16.033
   83    H    ASP  10           HN       ASP  10  -0.475 -18.073  24.957
   84    HA   ASP  10           HA       ASP  10  -2.617 -18.859  26.730
   85    HB2  ASP  10           HB2      ASP  10   0.317 -18.384  27.493
   86    HB3  ASP  10           HB1      ASP  10  -0.974 -18.832  28.661
   87    H    PHE  11           HN       PHE  11  -0.933 -15.854  25.726
   88    HA   PHE  11           HA       PHE  11  -1.813 -14.660  28.209
   89    HB2  PHE  11           HB2      PHE  11  -1.068 -12.895  25.880
   90    HB3  PHE  11           HB1      PHE  11  -0.792 -12.602  27.652
   91    HD1  PHE  11           HD1      PHE  11   0.151 -13.966  24.594
   92    HD2  PHE  11           HD2      PHE  11   1.338 -13.579  28.629
   93    HE1  PHE  11           HE1      PHE  11   2.244 -14.564  23.974
   94    HE2  PHE  11           HE2      PHE  11   3.606 -14.171  27.975
   95    HZ   PHE  11           HZ       PHE  11   4.143 -14.604  25.616
   96    H    ILE  12           HN       ILE  12  -2.384 -14.154  24.724
   97    HA   ILE  12           HA       ILE  12  -4.207 -12.036  25.192
   98    HB   ILE  12           HB       ILE  12  -4.530 -13.381  22.649
   99   HG12  ILE  12          HG12      ILE  12  -1.973 -11.909  22.575
  100   HG13  ILE  12          HG11      ILE  12  -1.874 -13.429  23.558
  101   HG21  ILE  12          HG21      ILE  12  -3.904 -10.457  23.430
  102   HG22  ILE  12          HG22      ILE  12  -5.531 -11.156  23.068
  103   HG23  ILE  12          HG23      ILE  12  -4.292 -11.040  21.765
  104   HD11  ILE  12          HD11      ILE  12  -2.089 -14.725  21.890
  105   HD12  ILE  12          HD12      ILE  12  -1.845 -13.296  20.792
  106   HD13  ILE  12          HD13      ILE  12  -3.524 -13.876  21.203
  107    H    LEU  13           HN       LEU  13  -4.496 -15.467  24.959
  108    HA   LEU  13           HA       LEU  13  -7.159 -15.311  24.178
  109    HB2  LEU  13           HB2      LEU  13  -5.210 -17.504  24.753
  110    HB3  LEU  13           HB1      LEU  13  -6.936 -17.883  24.368
  111    HG   LEU  13           HG       LEU  13  -6.539 -16.240  22.355
  112   HD11  LEU  13          HD11      LEU  13  -3.798 -16.352  23.374
  113   HD12  LEU  13          HD12      LEU  13  -4.654 -15.219  22.292
  114   HD13  LEU  13          HD13      LEU  13  -3.928 -16.695  21.593
  115   HD21  LEU  13          HD21      LEU  13  -5.716 -18.129  20.857
  116   HD22  LEU  13          HD22      LEU  13  -7.042 -18.629  21.977
  117   HD23  LEU  13          HD23      LEU  13  -5.332 -19.076  22.346
  118    H    GLN  14           HN       GLN  14  -5.513 -15.345  27.164
  119    HA   GLN  14           HA       GLN  14  -7.865 -16.152  28.720
  120    HB2  GLN  14           HB2      GLN  14  -5.199 -14.806  29.544
  121    HB3  GLN  14           HB1      GLN  14  -6.540 -15.133  30.718
  122    HG2  GLN  14           HG2      GLN  14  -6.379 -17.630  30.075
  123    HG3  GLN  14           HG1      GLN  14  -4.919 -17.212  29.098
  124   HE21  GLN  14          HE21      GLN  14  -3.029 -17.706  30.239
  125   HE22  GLN  14          HE22      GLN  14  -2.790 -17.490  31.942
  126    H    ARG  15           HN       ARG  15  -7.123 -13.566  26.744
  127    HA   ARG  15           HA       ARG  15  -8.546 -11.599  28.287
  128    HB2  ARG  15           HB2      ARG  15  -7.098 -11.379  25.632
  129    HB3  ARG  15           HB1      ARG  15  -7.767  -9.997  26.616
  130    HG2  ARG  15           HG2      ARG  15  -6.195 -11.509  28.429
  131    HG3  ARG  15           HG1      ARG  15  -5.273 -11.534  26.901
  132    HD2  ARG  15           HD2      ARG  15  -5.231  -9.068  26.786
  133    HD3  ARG  15           HD1      ARG  15  -6.373  -8.963  28.225
  134    HE   ARG  15           HE       ARG  15  -3.988 -10.461  28.965
  135   HH11  ARG  15          HH11      ARG  15  -5.004  -7.075  28.201
  136   HH12  ARG  15          HH12      ARG  15  -3.775  -6.348  29.182
  137   HH21  ARG  15          HH21      ARG  15  -2.348  -9.414  30.276
  138   HH22  ARG  15          HH22      ARG  15  -2.258  -7.687  30.367
  139    H    LYS  16           HN       LYS  16  -9.442 -14.060  26.684
  140    HA   LYS  16           HA       LYS  16 -11.521 -12.767  25.080
  141    HB2  LYS  16           HB2      LYS  16 -10.803 -15.684  25.657
  142    HB3  LYS  16           HB1      LYS  16 -12.195 -15.189  24.619
  143    HG2  LYS  16           HG2      LYS  16 -10.733 -14.142  22.982
  144    HG3  LYS  16           HG1      LYS  16  -9.301 -14.274  24.049
  145    HD2  LYS  16           HD2      LYS  16  -8.990 -15.968  22.460
  146    HD3  LYS  16           HD1      LYS  16  -9.544 -16.801  23.944
  147    HE2  LYS  16           HE2      LYS  16 -11.856 -17.087  22.970
  148    HE3  LYS  16           HE1      LYS  16 -11.378 -16.139  21.504
  149    HZ1  LYS  16           HZ1      LYS  16 -10.865 -18.093  20.672
  150    HZ2  LYS  16           HZ2      LYS  16 -10.917 -18.889  22.171
  151    HZ3  LYS  16           HZ3      LYS  16  -9.497 -18.098  21.678
  152    H    LYS  17           HN       LYS  17 -12.107 -11.688  26.895
  153    HA   LYS  17           HA       LYS  17 -13.667 -13.141  28.929
  154    HB2  LYS  17           HB2      LYS  17 -12.451 -10.296  28.937
  155    HB3  LYS  17           HB1      LYS  17 -13.278 -11.095  30.329
  156    HG2  LYS  17           HG2      LYS  17 -11.453 -12.594  30.726
  157    HG3  LYS  17           HG1      LYS  17 -10.773 -12.428  29.070
  158    HD2  LYS  17           HD2      LYS  17  -9.280 -11.232  30.513
  159    HD3  LYS  17           HD1      LYS  17 -10.206  -9.982  29.624
  160    HE2  LYS  17           HE2      LYS  17 -11.646  -9.568  31.672
  161    HE3  LYS  17           HE1      LYS  17 -10.782 -10.890  32.558
  162    HZ1  LYS  17           HZ1      LYS  17  -9.960  -8.176  31.951
  163    HZ2  LYS  17           HZ2      LYS  17  -8.751  -9.353  31.754
  164    HZ3  LYS  17           HZ3      LYS  17  -9.550  -9.196  33.245
  Start of MODEL    8
    1    H1   GLU   1           HT1      GLU   1   9.368 -18.090  11.766
    2    H2   GLU   1           HT2      GLU   1   8.756 -17.072  12.979
    3    H3   GLU   1           HT3      GLU   1   7.716 -18.133  12.156
    4    HA   GLU   1           HA       GLU   1   8.038 -19.649  13.661
    5    HB2  GLU   1           HB2      GLU   1  10.972 -19.342  12.738
    6    HB3  GLU   1           HB1      GLU   1  10.521 -20.544  14.005
    7    HG2  GLU   1           HG2      GLU   1   8.930 -21.672  12.392
    8    HG3  GLU   1           HG1      GLU   1   9.385 -20.481  11.111
    9    H    MET   2           HN       MET   2   7.598 -19.258  15.803
   10    HA   MET   2           HA       MET   2   9.653 -17.976  17.441
   11    HB2  MET   2           HB2      MET   2   6.982 -16.759  16.802
   12    HB3  MET   2           HB1      MET   2   7.247 -17.017  18.557
   13    HG2  MET   2           HG2      MET   2   8.692 -15.149  16.629
   14    HG3  MET   2           HG1      MET   2   7.857 -14.820  18.183
   15    HE1  MET   2           HE1      MET   2  10.606 -13.568  17.246
   16    HE2  MET   2           HE2      MET   2  11.505 -13.571  18.802
   17    HE3  MET   2           HE3      MET   2   9.753 -13.173  18.780
   18    H    ALA   3           HN       ALA   3   9.431 -18.331  19.640
   19    HA   ALA   3           HA       ALA   3   7.694 -20.509  20.241
   20    HB1  ALA   3           HB1      ALA   3   9.769 -19.620  22.137
   21    HB2  ALA   3           HB2      ALA   3  10.224 -20.673  20.740
   22    HB3  ALA   3           HB3      ALA   3   9.015 -21.253  21.966
   23    H    LEU   4           HN       LEU   4   7.435 -17.400  20.393
   24    HA   LEU   4           HA       LEU   4   6.309 -17.492  23.024
   25    HB2  LEU   4           HB2      LEU   4   5.361 -15.355  21.378
   26    HB3  LEU   4           HB1      LEU   4   6.088 -15.268  23.010
   27    HG   LEU   4           HG       LEU   4   7.597 -15.581  20.419
   28   HD11  LEU   4          HD11      LEU   4   6.740 -13.032  21.874
   29   HD12  LEU   4          HD12      LEU   4   6.305 -13.619  20.217
   30   HD13  LEU   4          HD13      LEU   4   8.006 -13.075  20.571
   31   HD21  LEU   4          HD21      LEU   4   8.446 -15.228  23.325
   32   HD22  LEU   4          HD22      LEU   4   9.491 -14.493  22.037
   33   HD23  LEU   4          HD23      LEU   4   9.138 -16.278  22.019
   34    H    SER   5           HN       SER   5   5.786 -18.155  19.868
   35    HA   SER   5           HA       SER   5   3.290 -17.151  19.605
   36    HB2  SER   5           HB2      SER   5   4.824 -17.668  17.815
   37    HB3  SER   5           HB1      SER   5   4.694 -19.429  18.191
   38    HG   SER   5           HG       SER   5   3.384 -18.752  16.412
   39    H    LYS   6           HN       LYS   6   4.566 -19.686  21.400
   40    HA   LYS   6           HA       LYS   6   2.219 -21.417  21.534
   41    HB2  LYS   6           HB2      LYS   6   5.062 -21.191  22.633
   42    HB3  LYS   6           HB1      LYS   6   3.894 -22.255  23.513
   43    HG2  LYS   6           HG2      LYS   6   4.694 -23.885  22.143
   44    HG3  LYS   6           HG1      LYS   6   3.569 -23.190  20.935
   45    HD2  LYS   6           HD2      LYS   6   5.421 -21.780  19.991
   46    HD3  LYS   6           HD1      LYS   6   6.552 -22.431  21.230
   47    HE2  LYS   6           HE2      LYS   6   6.199 -24.792  20.280
   48    HE3  LYS   6           HE1      LYS   6   5.154 -24.076  18.985
   49    HZ1  LYS   6           HZ1      LYS   6   7.600 -24.506  18.519
   50    HZ2  LYS   6           HZ2      LYS   6   7.917 -23.119  19.445
   51    HZ3  LYS   6           HZ3      LYS   6   6.951 -23.007  18.052
   52    H    PHE   7           HN       PHE   7   4.198 -19.045  23.115
   53    HA   PHE   7           HA       PHE   7   2.796 -19.086  25.546
   54    HB2  PHE   7           HB2      PHE   7   4.583 -16.981  24.380
   55    HB3  PHE   7           HB1      PHE   7   3.925 -16.927  26.056
   56    HD1  PHE   7           HD1      PHE   7   6.800 -16.757  25.224
   57    HD2  PHE   7           HD2      PHE   7   4.460 -20.126  26.432
   58    HE1  PHE   7           HE1      PHE   7   8.757 -17.909  25.941
   59    HE2  PHE   7           HE2      PHE   7   6.429 -21.222  27.120
   60    HZ   PHE   7           HZ       PHE   7   8.638 -20.161  26.920
   61    H    PHE   8           HN       PHE   8   2.492 -17.510  22.473
   62    HA   PHE   8           HA       PHE   8   0.666 -15.619  23.156
   63    HB2  PHE   8           HB2      PHE   8   1.572 -16.831  20.639
   64    HB3  PHE   8           HB1      PHE   8  -0.103 -16.144  20.522
   65    HD1  PHE   8           HD1      PHE   8   3.266 -15.265  20.241
   66    HD2  PHE   8           HD2      PHE   8  -0.318 -14.184  21.984
   67    HE1  PHE   8           HE1      PHE   8   4.225 -13.329  21.014
   68    HE2  PHE   8           HE2      PHE   8   0.400 -12.223  22.756
   69    HZ   PHE   8           HZ       PHE   8   2.785 -11.703  22.242
   70    H    ARG   9           HN       ARG   9  -0.028 -18.880  22.424
   71    HA   ARG   9           HA       ARG   9  -2.689 -18.289  22.320
   72    HB2  ARG   9           HB2      ARG   9  -0.869 -20.587  22.257
   73    HB3  ARG   9           HB1      ARG   9  -2.304 -21.010  23.238
   74    HG2  ARG   9           HG2      ARG   9  -3.201 -21.671  21.258
   75    HG3  ARG   9           HG1      ARG   9  -3.535 -19.933  21.004
   76    HD2  ARG   9           HD2      ARG   9  -1.743 -19.656  19.451
   77    HD3  ARG   9           HD1      ARG   9  -0.854 -21.140  20.042
   78    HE   ARG   9           HE       ARG   9  -3.360 -22.068  19.180
   79   HH11  ARG   9          HH11      ARG   9  -0.616 -20.325  17.601
   80   HH12  ARG   9          HH12      ARG   9  -0.913 -21.007  16.037
   81   HH21  ARG   9          HH21      ARG   9  -3.709 -22.958  17.036
   82   HH22  ARG   9          HH22      ARG   9  -2.681 -22.510  15.715
   83    H    ASP  10           HN       ASP  10  -0.491 -18.090  24.978
   84    HA   ASP  10           HA       ASP  10  -2.681 -18.901  26.681
   85    HB2  ASP  10           HB2      ASP  10   0.227 -18.418  27.532
   86    HB3  ASP  10           HB1      ASP  10  -1.095 -18.881  28.660
   87    H    PHE  11           HN       PHE  11  -0.986 -15.885  25.739
   88    HA   PHE  11           HA       PHE  11  -1.950 -14.711  28.199
   89    HB2  PHE  11           HB2      PHE  11  -1.142 -12.921  25.912
   90    HB3  PHE  11           HB1      PHE  11  -0.928 -12.643  27.694
   91    HD1  PHE  11           HD1      PHE  11   0.126 -13.989  24.664
   92    HD2  PHE  11           HD2      PHE  11   1.182 -13.593  28.732
   93    HE1  PHE  11           HE1      PHE  11   2.241 -14.563  24.107
   94    HE2  PHE  11           HE2      PHE  11   3.475 -14.161  28.148
   95    HZ   PHE  11           HZ       PHE  11   4.089 -14.588  25.806
   96    H    ILE  12           HN       ILE  12  -2.399 -14.150  24.701
   97    HA   ILE  12           HA       ILE  12  -4.244 -12.040  25.113
   98    HB   ILE  12           HB       ILE  12  -4.493 -13.396  22.562
   99   HG12  ILE  12          HG12      ILE  12  -1.944 -11.911  22.560
  100   HG13  ILE  12          HG11      ILE  12  -1.865 -13.426  23.551
  101   HG21  ILE  12          HG21      ILE  12  -4.238 -11.053  21.682
  102   HG22  ILE  12          HG22      ILE  12  -3.909 -10.467  23.357
  103   HG23  ILE  12          HG23      ILE  12  -5.520 -11.177  22.944
  104   HD11  ILE  12          HD11      ILE  12  -1.756 -13.304  20.785
  105   HD12  ILE  12          HD12      ILE  12  -3.444 -13.894  21.151
  106   HD13  ILE  12          HD13      ILE  12  -2.014 -14.725  21.877
  107    H    LEU  13           HN       LEU  13  -4.537 -15.467  24.871
  108    HA   LEU  13           HA       LEU  13  -7.167 -15.321  24.015
  109    HB2  LEU  13           HB2      LEU  13  -5.221 -17.491  24.682
  110    HB3  LEU  13           HB1      LEU  13  -6.928 -17.894  24.241
  111    HG   LEU  13           HG       LEU  13  -6.474 -16.275  22.216
  112   HD11  LEU  13          HD11      LEU  13  -3.766 -16.353  23.331
  113   HD12  LEU  13          HD12      LEU  13  -4.599 -15.230  22.223
  114   HD13  LEU  13          HD13      LEU  13  -3.842 -16.699  21.547
  115   HD21  LEU  13          HD21      LEU  13  -5.600 -18.170  20.774
  116   HD22  LEU  13          HD22      LEU  13  -6.931 -18.688  21.876
  117   HD23  LEU  13          HD23      LEU  13  -5.218 -19.088  22.281
  118    H    GLN  14           HN       GLN  14  -5.603 -15.332  27.043
  119    HA   GLN  14           HA       GLN  14  -8.041 -16.061  28.523
  120    HB2  GLN  14           HB2      GLN  14  -5.327 -14.906  29.469
  121    HB3  GLN  14           HB1      GLN  14  -6.717 -15.231  30.585
  122    HG2  GLN  14           HG2      GLN  14  -6.639 -17.702  29.796
  123    HG3  GLN  14           HG1      GLN  14  -5.108 -17.290  28.929
  124   HE21  GLN  14          HE21      GLN  14  -3.254 -17.759  30.134
  125   HE22  GLN  14          HE22      GLN  14  -3.132 -17.709  31.863
  126    H    ARG  15           HN       ARG  15  -7.110 -13.480  26.615
  127    HA   ARG  15           HA       ARG  15  -8.336 -11.441  28.249
  128    HB2  ARG  15           HB2      ARG  15  -6.814 -11.311  25.618
  129    HB3  ARG  15           HB1      ARG  15  -7.381  -9.873  26.576
  130    HG2  ARG  15           HG2      ARG  15  -5.878 -11.793  28.227
  131    HG3  ARG  15           HG1      ARG  15  -4.942 -11.295  26.800
  132    HD2  ARG  15           HD2      ARG  15  -5.011  -8.977  27.358
  133    HD3  ARG  15           HD1      ARG  15  -6.342  -9.234  28.606
  134    HE   ARG  15           HE       ARG  15  -4.034 -10.801  29.375
  135   HH11  ARG  15          HH11      ARG  15  -4.947  -7.316  29.065
  136   HH12  ARG  15          HH12      ARG  15  -3.865  -6.789  30.312
  137   HH21  ARG  15          HH21      ARG  15  -2.591 -10.023  31.053
  138   HH22  ARG  15          HH22      ARG  15  -2.519  -8.337  31.446
  139    H    LYS  16           HN       LYS  16  -9.278 -13.675  26.127
  140    HA   LYS  16           HA       LYS  16 -11.058 -12.192  24.452
  141    HB2  LYS  16           HB2      LYS  16 -11.082 -15.088  25.470
  142    HB3  LYS  16           HB1      LYS  16 -12.229 -14.479  24.208
  143    HG2  LYS  16           HG2      LYS  16 -10.420 -14.061  22.631
  144    HG3  LYS  16           HG1      LYS  16  -9.170 -14.293  23.890
  145    HD2  LYS  16           HD2      LYS  16  -9.067 -16.268  22.650
  146    HD3  LYS  16           HD1      LYS  16  -9.993 -16.704  24.118
  147    HE2  LYS  16           HE2      LYS  16 -12.162 -16.628  22.832
  148    HE3  LYS  16           HE1      LYS  16 -11.281 -16.083  21.346
  149    HZ1  LYS  16           HZ1      LYS  16 -11.441 -18.715  22.593
  150    HZ2  LYS  16           HZ2      LYS  16  -9.943 -18.290  21.915
  151    HZ3  LYS  16           HZ3      LYS  16 -11.347 -18.267  20.959
  152    H    LYS  17           HN       LYS  17 -11.202 -13.840  27.523
  153    HA   LYS  17           HA       LYS  17 -12.618 -13.953  29.220
  154    HB2  LYS  17           HB2      LYS  17 -12.854 -10.955  28.550
  155    HB3  LYS  17           HB1      LYS  17 -13.282 -11.676  30.146
  156    HG2  LYS  17           HG2      LYS  17 -11.028 -12.122  30.705
  157    HG3  LYS  17           HG1      LYS  17 -10.488 -12.197  28.995
  158    HD2  LYS  17           HD2      LYS  17  -9.542 -10.177  29.887
  159    HD3  LYS  17           HD1      LYS  17 -10.904  -9.664  28.832
  160    HE2  LYS  17           HE2      LYS  17 -12.356  -9.255  30.861
  161    HE3  LYS  17           HE1      LYS  17 -11.036  -9.860  31.944
  162    HZ1  LYS  17           HZ1      LYS  17 -10.465  -7.662  30.070
  163    HZ2  LYS  17           HZ2      LYS  17  -9.816  -7.999  31.603
  164    HZ3  LYS  17           HZ3      LYS  17 -11.377  -7.342  31.467
  Start of MODEL    9
    1    H1   GLU   1           HT1      GLU   1   9.117 -17.552  12.783
    2    H2   GLU   1           HT2      GLU   1   9.459 -18.854  11.749
    3    H3   GLU   1           HT3      GLU   1  10.727 -17.918  12.382
    4    HA   GLU   1           HA       GLU   1   9.028 -19.904  13.704
    5    HB2  GLU   1           HB2      GLU   1  12.065 -19.348  13.529
    6    HB3  GLU   1           HB1      GLU   1  11.391 -20.491  14.751
    7    HG2  GLU   1           HG2      GLU   1  10.404 -21.913  12.908
    8    HG3  GLU   1           HG1      GLU   1  11.069 -20.776  11.671
    9    H    MET   2           HN       MET   2   8.070 -19.431  15.650
   10    HA   MET   2           HA       MET   2   9.478 -17.632  17.503
   11    HB2  MET   2           HB2      MET   2   6.787 -17.127  16.246
   12    HB3  MET   2           HB1      MET   2   6.796 -17.129  18.052
   13    HG2  MET   2           HG2      MET   2   8.272 -15.310  18.187
   14    HG3  MET   2           HG1      MET   2   8.821 -15.435  16.489
   15    HE1  MET   2           HE1      MET   2   7.947 -14.244  14.581
   16    HE2  MET   2           HE2      MET   2   6.246 -13.726  14.327
   17    HE3  MET   2           HE3      MET   2   6.632 -15.469  14.523
   18    H    ALA   3           HN       ALA   3   9.384 -18.280  19.533
   19    HA   ALA   3           HA       ALA   3   7.610 -20.434  20.088
   20    HB1  ALA   3           HB1      ALA   3  10.133 -20.614  20.608
   21    HB2  ALA   3           HB2      ALA   3   8.915 -21.201  21.820
   22    HB3  ALA   3           HB3      ALA   3   9.678 -19.571  22.009
   23    H    LEU   4           HN       LEU   4   7.310 -17.360  20.220
   24    HA   LEU   4           HA       LEU   4   6.223 -17.398  22.867
   25    HB2  LEU   4           HB2      LEU   4   5.203 -15.348  21.143
   26    HB3  LEU   4           HB1      LEU   4   5.939 -15.174  22.764
   27    HG   LEU   4           HG       LEU   4   7.425 -15.548  20.164
   28   HD11  LEU   4          HD11      LEU   4   7.776 -13.030  20.224
   29   HD12  LEU   4          HD12      LEU   4   6.546 -12.970  21.560
   30   HD13  LEU   4          HD13      LEU   4   6.080 -13.616  19.932
   31   HD21  LEU   4          HD21      LEU   4   8.309 -15.080  23.046
   32   HD22  LEU   4          HD22      LEU   4   9.318 -14.365  21.718
   33   HD23  LEU   4          HD23      LEU   4   9.005 -16.156  21.764
   34    H    SER   5           HN       SER   5   5.653 -18.167  19.730
   35    HA   SER   5           HA       SER   5   3.132 -17.224  19.488
   36    HB2  SER   5           HB2      SER   5   4.607 -17.734  17.673
   37    HB3  SER   5           HB1      SER   5   4.597 -19.483  18.113
   38    HG   SER   5           HG       SER   5   3.201 -18.997  16.359
   39    H    LYS   6           HN       LYS   6   4.492 -19.682  21.321
   40    HA   LYS   6           HA       LYS   6   2.184 -21.455  21.542
   41    HB2  LYS   6           HB2      LYS   6   5.042 -21.146  22.580
   42    HB3  LYS   6           HB1      LYS   6   3.914 -22.216  23.504
   43    HG2  LYS   6           HG2      LYS   6   4.733 -23.855  22.154
   44    HG3  LYS   6           HG1      LYS   6   3.561 -23.218  20.960
   45    HD2  LYS   6           HD2      LYS   6   5.354 -21.779  19.942
   46    HD3  LYS   6           HD1      LYS   6   6.532 -22.386  21.161
   47    HE2  LYS   6           HE2      LYS   6   6.210 -24.765  20.259
   48    HE3  LYS   6           HE1      LYS   6   5.107 -24.100  18.986
   49    HZ1  LYS   6           HZ1      LYS   6   7.556 -22.667  19.060
   50    HZ2  LYS   6           HZ2      LYS   6   6.844 -23.549  17.795
   51    HZ3  LYS   6           HZ3      LYS   6   7.853 -24.333  18.914
   52    H    PHE   7           HN       PHE   7   4.145 -19.005  23.025
   53    HA   PHE   7           HA       PHE   7   2.796 -19.017  25.486
   54    HB2  PHE   7           HB2      PHE   7   4.510 -16.901  24.231
   55    HB3  PHE   7           HB1      PHE   7   3.888 -16.823  25.919
   56    HD1  PHE   7           HD1      PHE   7   6.736 -16.598  25.041
   57    HD2  PHE   7           HD2      PHE   7   4.507 -20.009  26.336
   58    HE1  PHE   7           HE1      PHE   7   8.736 -17.687  25.741
   59    HE2  PHE   7           HE2      PHE   7   6.516 -21.044  27.004
   60    HZ   PHE   7           HZ       PHE   7   8.693 -19.926  26.751
   61    H    PHE   8           HN       PHE   8   2.396 -17.520  22.386
   62    HA   PHE   8           HA       PHE   8   0.547 -15.650  23.058
   63    HB2  PHE   8           HB2      PHE   8   1.425 -16.910  20.555
   64    HB3  PHE   8           HB1      PHE   8  -0.266 -16.257  20.456
   65    HD1  PHE   8           HD1      PHE   8   3.078 -15.322  20.079
   66    HD2  PHE   8           HD2      PHE   8  -0.486 -14.264  21.876
   67    HE1  PHE   8           HE1      PHE   8   4.017 -13.348  20.781
   68    HE2  PHE   8           HE2      PHE   8   0.212 -12.272  22.580
   69    HZ   PHE   8           HZ       PHE   8   2.573 -11.721  22.001
   70    H    ARG   9           HN       ARG   9  -0.096 -18.941  22.425
   71    HA   ARG   9           HA       ARG   9  -2.770 -18.408  22.363
   72    HB2  ARG   9           HB2      ARG   9  -0.905 -20.668  22.317
   73    HB3  ARG   9           HB1      ARG   9  -2.305 -21.097  23.345
   74    HG2  ARG   9           HG2      ARG   9  -3.241 -21.827  21.408
   75    HG3  ARG   9           HG1      ARG   9  -3.606 -20.102  21.106
   76    HD2  ARG   9           HD2      ARG   9  -1.859 -19.848  19.504
   77    HD3  ARG   9           HD1      ARG   9  -0.926 -21.293  20.127
   78    HE   ARG   9           HE       ARG   9  -3.426 -22.307  19.352
   79   HH11  ARG   9          HH11      ARG   9  -0.763 -20.550  17.653
   80   HH12  ARG   9          HH12      ARG   9  -1.079 -21.290  16.119
   81   HH21  ARG   9          HH21      ARG   9  -3.804 -23.274  17.245
   82   HH22  ARG   9          HH22      ARG   9  -2.816 -22.846  15.887
   83    H    ASP  10           HN       ASP  10  -0.525 -18.099  24.971
   84    HA   ASP  10           HA       ASP  10  -2.670 -18.900  26.738
   85    HB2  ASP  10           HB2      ASP  10   0.244 -18.358  27.527
   86    HB3  ASP  10           HB1      ASP  10  -1.057 -18.785  28.694
   87    H    PHE  11           HN       PHE  11  -1.051 -15.885  25.673
   88    HA   PHE  11           HA       PHE  11  -1.998 -14.665  28.119
   89    HB2  PHE  11           HB2      PHE  11  -1.267 -12.919  25.772
   90    HB3  PHE  11           HB1      PHE  11  -1.030 -12.589  27.542
   91    HD1  PHE  11           HD1      PHE  11   0.002 -13.997  24.531
   92    HD2  PHE  11           HD2      PHE  11   1.116 -13.461  28.567
   93    HE1  PHE  11           HE1      PHE  11   2.118 -14.544  23.954
   94    HE2  PHE  11           HE2      PHE  11   3.412 -14.000  27.961
   95    HZ   PHE  11           HZ       PHE  11   3.996 -14.483  25.624
   96    H    ILE  12           HN       ILE  12  -2.510 -14.178  24.615
   97    HA   ILE  12           HA       ILE  12  -4.387 -12.097  24.998
   98    HB   ILE  12           HB       ILE  12  -4.667 -13.551  22.503
   99   HG12  ILE  12          HG12      ILE  12  -2.153 -12.008  22.394
  100   HG13  ILE  12          HG11      ILE  12  -2.018 -13.487  23.432
  101   HG21  ILE  12          HG21      ILE  12  -5.740 -11.346  22.815
  102   HG22  ILE  12          HG22      ILE  12  -4.478 -11.233  21.534
  103   HG23  ILE  12          HG23      ILE  12  -4.143 -10.582  23.184
  104   HD11  ILE  12          HD11      ILE  12  -3.629 -14.065  21.075
  105   HD12  ILE  12          HD12      ILE  12  -2.179 -14.848  21.810
  106   HD13  ILE  12          HD13      ILE  12  -1.963 -13.453  20.664
  107    H    LEU  13           HN       LEU  13  -4.634 -15.515  24.831
  108    HA   LEU  13           HA       LEU  13  -7.277 -15.477  24.049
  109    HB2  LEU  13           HB2      LEU  13  -5.253 -17.555  24.772
  110    HB3  LEU  13           HB1      LEU  13  -6.955 -18.034  24.388
  111    HG   LEU  13           HG       LEU  13  -6.595 -16.502  22.282
  112   HD11  LEU  13          HD11      LEU  13  -3.862 -16.438  23.342
  113   HD12  LEU  13          HD12      LEU  13  -4.757 -15.389  22.210
  114   HD13  LEU  13          HD13      LEU  13  -3.966 -16.859  21.577
  115   HD21  LEU  13          HD21      LEU  13  -5.678 -18.434  20.915
  116   HD22  LEU  13          HD22      LEU  13  -6.973 -18.942  22.064
  117   HD23  LEU  13          HD23      LEU  13  -5.241 -19.264  22.459
  118    H    GLN  14           HN       GLN  14  -5.660 -15.353  27.057
  119    HA   GLN  14           HA       GLN  14  -8.079 -16.056  28.600
  120    HB2  GLN  14           HB2      GLN  14  -5.327 -14.952  29.499
  121    HB3  GLN  14           HB1      GLN  14  -6.699 -15.295  30.632
  122    HG2  GLN  14           HG2      GLN  14  -6.639 -17.752  29.778
  123    HG3  GLN  14           HG1      GLN  14  -5.107 -17.320  28.920
  124   HE21  GLN  14          HE21      GLN  14  -3.225 -17.711  30.113
  125   HE22  GLN  14          HE22      GLN  14  -3.115 -17.745  31.842
  126    H    ARG  15           HN       ARG  15  -7.126 -13.494  26.680
  127    HA   ARG  15           HA       ARG  15  -8.234 -11.386  28.352
  128    HB2  ARG  15           HB2      ARG  15  -6.806 -11.376  25.652
  129    HB3  ARG  15           HB1      ARG  15  -7.295  -9.895  26.584
  130    HG2  ARG  15           HG2      ARG  15  -5.772 -11.873  28.179
  131    HG3  ARG  15           HG1      ARG  15  -4.878 -11.303  26.750
  132    HD2  ARG  15           HD2      ARG  15  -4.958  -9.013  27.410
  133    HD3  ARG  15           HD1      ARG  15  -6.246  -9.336  28.685
  134    HE   ARG  15           HE       ARG  15  -3.904 -10.912  29.317
  135   HH11  ARG  15          HH11      ARG  15  -4.851  -7.424  29.179
  136   HH12  ARG  15          HH12      ARG  15  -3.735  -6.939  30.411
  137   HH21  ARG  15          HH21      ARG  15  -2.414 -10.189  30.979
  138   HH22  ARG  15          HH22      ARG  15  -2.342  -8.521  31.439
  139    H    LYS  16           HN       LYS  16  -9.340 -13.644  26.288
  140    HA   LYS  16           HA       LYS  16 -11.097 -12.072  24.650
  141    HB2  LYS  16           HB2      LYS  16 -11.496 -14.958  25.614
  142    HB3  LYS  16           HB1      LYS  16 -12.336 -14.204  24.212
  143    HG2  LYS  16           HG2      LYS  16  -9.358 -14.876  24.449
  144    HG3  LYS  16           HG1      LYS  16 -10.542 -15.793  23.508
  145    HD2  LYS  16           HD2      LYS  16  -9.652 -12.886  22.899
  146    HD3  LYS  16           HD1      LYS  16  -8.926 -14.357  22.178
  147    HE2  LYS  16           HE2      LYS  16 -11.190 -14.955  21.154
  148    HE3  LYS  16           HE1      LYS  16 -11.887 -13.434  21.846
  149    HZ1  LYS  16           HZ1      LYS  16 -11.154 -13.337  19.492
  150    HZ2  LYS  16           HZ2      LYS  16  -9.544 -13.488  20.014
  151    HZ3  LYS  16           HZ3      LYS  16 -10.473 -12.150  20.498
  152    H    LYS  17           HN       LYS  17 -11.238 -13.753  27.722
  153    HA   LYS  17           HA       LYS  17 -12.629 -13.822  29.437
  154    HB2  LYS  17           HB2      LYS  17 -12.775 -10.809  28.805
  155    HB3  LYS  17           HB1      LYS  17 -13.154 -11.542  30.409
  156    HG2  LYS  17           HG2      LYS  17 -10.890 -12.075  30.855
  157    HG3  LYS  17           HG1      LYS  17 -10.430 -12.123  29.121
  158    HD2  LYS  17           HD2      LYS  17  -9.388 -10.154  30.012
  159    HD3  LYS  17           HD1      LYS  17 -10.782  -9.576  29.036
  160    HE2  LYS  17           HE2      LYS  17 -12.123  -9.182  31.146
  161    HE3  LYS  17           HE1      LYS  17 -10.764  -9.843  32.144
  162    HZ1  LYS  17           HZ1      LYS  17  -9.410  -8.041  31.517
  163    HZ2  LYS  17           HZ2      LYS  17 -10.911  -7.387  31.969
  164    HZ3  LYS  17           HZ3      LYS  17 -10.496  -7.505  30.326
  Start of MODEL   10
    1    H1   GLU   1           HT1      GLU   1  10.281 -20.793  14.951
    2    H2   GLU   1           HT2      GLU   1  10.990 -20.885  13.410
    3    H3   GLU   1           HT3      GLU   1   9.331 -21.196  13.601
    4    HA   GLU   1           HA       GLU   1  10.654 -18.777  13.130
    5    HB2  GLU   1           HB2      GLU   1   7.710 -19.669  13.385
    6    HB3  GLU   1           HB1      GLU   1   8.119 -17.939  13.084
    7    HG2  GLU   1           HG2      GLU   1   9.349 -18.583  10.965
    8    HG3  GLU   1           HG1      GLU   1   8.927 -20.317  11.251
    9    H    MET   2           HN       MET   2   8.013 -19.351  15.625
   10    HA   MET   2           HA       MET   2   9.543 -17.701  17.526
   11    HB2  MET   2           HB2      MET   2   6.866 -17.011  16.329
   12    HB3  MET   2           HB1      MET   2   6.887 -17.101  18.131
   13    HG2  MET   2           HG2      MET   2   7.248 -14.824  17.585
   14    HG3  MET   2           HG1      MET   2   8.833 -15.460  18.119
   15    HE1  MET   2           HE1      MET   2   9.848 -12.691  15.582
   16    HE2  MET   2           HE2      MET   2  10.022 -13.379  17.233
   17    HE3  MET   2           HE3      MET   2   8.442 -12.699  16.704
   18    H    ALA   3           HN       ALA   3   9.392 -18.366  19.557
   19    HA   ALA   3           HA       ALA   3   7.564 -20.492  20.054
   20    HB1  ALA   3           HB1      ALA   3   9.634 -19.716  22.010
   21    HB2  ALA   3           HB2      ALA   3  10.077 -20.743  20.593
   22    HB3  ALA   3           HB3      ALA   3   8.836 -21.320  21.785
   23    H    LEU   4           HN       LEU   4   7.313 -17.422  20.239
   24    HA   LEU   4           HA       LEU   4   6.220 -17.477  22.884
   25    HB2  LEU   4           HB2      LEU   4   5.226 -15.391  21.189
   26    HB3  LEU   4           HB1      LEU   4   5.986 -15.245  22.801
   27    HG   LEU   4           HG       LEU   4   7.447 -15.627  20.186
   28   HD11  LEU   4          HD11      LEU   4   6.599 -13.040  21.580
   29   HD12  LEU   4          HD12      LEU   4   6.122 -13.687  19.956
   30   HD13  LEU   4          HD13      LEU   4   7.828 -13.117  20.244
   31   HD21  LEU   4          HD21      LEU   4   8.348 -15.181  23.064
   32   HD22  LEU   4          HD22      LEU   4   9.355 -14.459  21.739
   33   HD23  LEU   4          HD23      LEU   4   9.033 -16.249  21.770
   34    H    SER   5           HN       SER   5   5.640 -18.203  19.734
   35    HA   SER   5           HA       SER   5   3.133 -17.228  19.498
   36    HB2  SER   5           HB2      SER   5   4.608 -17.773  17.681
   37    HB3  SER   5           HB1      SER   5   4.542 -19.522  18.117
   38    HG   SER   5           HG       SER   5   3.107 -18.466  16.348
   39    H    LYS   6           HN       LYS   6   4.449 -19.719  21.323
   40    HA   LYS   6           HA       LYS   6   2.105 -21.449  21.533
   41    HB2  LYS   6           HB2      LYS   6   4.970 -21.210  22.568
   42    HB3  LYS   6           HB1      LYS   6   3.823 -22.291  23.460
   43    HG2  LYS   6           HG2      LYS   6   4.551 -23.921  22.045
   44    HG3  LYS   6           HG1      LYS   6   3.471 -23.159  20.837
   45    HD2  LYS   6           HD2      LYS   6   5.450 -21.700  20.089
   46    HD3  LYS   6           HD1      LYS   6   6.497 -22.647  21.201
   47    HE2  LYS   6           HE2      LYS   6   4.854 -23.963  18.906
   48    HE3  LYS   6           HE1      LYS   6   6.563 -23.399  18.724
   49    HZ1  LYS   6           HZ1      LYS   6   5.731 -25.316  20.838
   50    HZ2  LYS   6           HZ2      LYS   6   7.291 -24.980  20.255
   51    HZ3  LYS   6           HZ3      LYS   6   6.178 -25.807  19.275
   52    H    PHE   7           HN       PHE   7   4.109 -19.041  23.020
   53    HA   PHE   7           HA       PHE   7   2.760 -19.047  25.484
   54    HB2  PHE   7           HB2      PHE   7   4.523 -16.961  24.247
   55    HB3  PHE   7           HB1      PHE   7   3.895 -16.877  25.933
   56    HD1  PHE   7           HD1      PHE   7   6.753 -16.715  25.060
   57    HD2  PHE   7           HD2      PHE   7   4.441 -20.073  26.347
   58    HE1  PHE   7           HE1      PHE   7   8.724 -17.852  25.761
   59    HE2  PHE   7           HE2      PHE   7   6.422 -21.157  27.016
   60    HZ   PHE   7           HZ       PHE   7   8.625 -20.093  26.768
   61    H    PHE   8           HN       PHE   8   2.389 -17.534  22.388
   62    HA   PHE   8           HA       PHE   8   0.572 -15.633  23.071
   63    HB2  PHE   8           HB2      PHE   8   1.426 -16.892  20.558
   64    HB3  PHE   8           HB1      PHE   8  -0.254 -16.212  20.466
   65    HD1  PHE   8           HD1      PHE   8   3.108 -15.329  20.098
   66    HD2  PHE   8           HD2      PHE   8  -0.445 -14.225  21.889
   67    HE1  PHE   8           HE1      PHE   8   4.075 -13.374  20.814
   68    HE2  PHE   8           HE2      PHE   8   0.282 -12.246  22.608
   69    HZ   PHE   8           HZ       PHE   8   2.653 -11.730  22.037
   70    H    ARG   9           HN       ARG   9  -0.122 -18.910  22.424
   71    HA   ARG   9           HA       ARG   9  -2.787 -18.340  22.365
   72    HB2  ARG   9           HB2      ARG   9  -0.956 -20.618  22.293
   73    HB3  ARG   9           HB1      ARG   9  -2.330 -21.037  23.361
   74    HG2  ARG   9           HG2      ARG   9  -3.369 -21.738  21.475
   75    HG3  ARG   9           HG1      ARG   9  -3.656 -20.007  21.127
   76    HD2  ARG   9           HD2      ARG   9  -1.956 -19.889  19.477
   77    HD3  ARG   9           HD1      ARG   9  -1.040 -21.324  20.147
   78    HE   ARG   9           HE       ARG   9  -3.579 -22.314  19.460
   79   HH11  ARG   9          HH11      ARG   9  -0.897 -20.713  17.643
   80   HH12  ARG   9          HH12      ARG   9  -1.253 -21.517  16.151
   81   HH21  ARG   9          HH21      ARG   9  -4.010 -23.372  17.409
   82   HH22  ARG   9          HH22      ARG   9  -3.033 -23.036  16.018
   83    H    ASP  10           HN       ASP  10  -0.531 -18.069  24.971
   84    HA   ASP  10           HA       ASP  10  -2.677 -18.850  26.743
   85    HB2  ASP  10           HB2      ASP  10   0.247 -18.335  27.516
   86    HB3  ASP  10           HB1      ASP  10  -1.047 -18.779  28.682
   87    H    PHE  11           HN       PHE  11  -1.017 -15.848  25.696
   88    HA   PHE  11           HA       PHE  11  -1.928 -14.625  28.154
   89    HB2  PHE  11           HB2      PHE  11  -1.181 -12.881  25.811
   90    HB3  PHE  11           HB1      PHE  11  -0.927 -12.564  27.581
   91    HD1  PHE  11           HD1      PHE  11   0.062 -13.975  24.558
   92    HD2  PHE  11           HD2      PHE  11   1.209 -13.480  28.590
   93    HE1  PHE  11           HE1      PHE  11   2.165 -14.556  23.966
   94    HE2  PHE  11           HE2      PHE  11   3.491 -14.054  27.968
   95    HZ   PHE  11           HZ       PHE  11   4.052 -14.534  25.624
   96    H    ILE  12           HN       ILE  12  -2.463 -14.144  24.656
   97    HA   ILE  12           HA       ILE  12  -4.307 -12.033  25.067
   98    HB   ILE  12           HB       ILE  12  -4.608 -13.440  22.551
   99   HG12  ILE  12          HG12      ILE  12  -2.066 -11.948  22.460
  100   HG13  ILE  12          HG11      ILE  12  -1.959 -13.443  23.479
  101   HG21  ILE  12          HG21      ILE  12  -4.380 -11.113  21.620
  102   HG22  ILE  12          HG22      ILE  12  -4.018 -10.494  23.276
  103   HG23  ILE  12          HG23      ILE  12  -5.634 -11.218  22.911
  104   HD11  ILE  12          HD11      ILE  12  -3.586 -13.959  21.121
  105   HD12  ILE  12          HD12      ILE  12  -2.148 -14.778  21.841
  106   HD13  ILE  12          HD13      ILE  12  -1.910 -13.374  20.711
  107    H    LEU  13           HN       LEU  13  -4.587 -15.466  24.902
  108    HA   LEU  13           HA       LEU  13  -7.237 -15.349  24.106
  109    HB2  LEU  13           HB2      LEU  13  -5.268 -17.500  24.769
  110    HB3  LEU  13           HB1      LEU  13  -6.984 -17.915  24.375
  111    HG   LEU  13           HG       LEU  13  -6.581 -16.333  22.310
  112   HD11  LEU  13          HD11      LEU  13  -4.708 -15.283  22.254
  113   HD12  LEU  13          HD12      LEU  13  -3.963 -16.762  21.590
  114   HD13  LEU  13          HD13      LEU  13  -3.848 -16.384  23.366
  115   HD21  LEU  13          HD21      LEU  13  -5.725 -18.253  20.885
  116   HD22  LEU  13          HD22      LEU  13  -7.040 -18.749  22.017
  117   HD23  LEU  13          HD23      LEU  13  -5.321 -19.144  22.403
  118    H    GLN  14           HN       GLN  14  -5.601 -15.292  27.096
  119    HA   GLN  14           HA       GLN  14  -7.998 -16.004  28.648
  120    HB2  GLN  14           HB2      GLN  14  -5.270 -14.810  29.504
  121    HB3  GLN  14           HB1      GLN  14  -6.632 -15.118  30.658
  122    HG2  GLN  14           HG2      GLN  14  -6.555 -17.606  29.934
  123    HG3  GLN  14           HG1      GLN  14  -5.054 -17.208  29.008
  124   HE21  GLN  14          HE21      GLN  14  -3.163 -17.648  30.169
  125   HE22  GLN  14          HE22      GLN  14  -2.987 -17.546  31.890
  126    H    ARG  15           HN       ARG  15  -7.132 -13.460  26.662
  127    HA   ARG  15           HA       ARG  15  -8.339 -11.397  28.278
  128    HB2  ARG  15           HB2      ARG  15  -6.876 -11.310  25.612
  129    HB3  ARG  15           HB1      ARG  15  -7.438  -9.857  26.549
  130    HG2  ARG  15           HG2      ARG  15  -5.885 -11.713  28.221
  131    HG3  ARG  15           HG1      ARG  15  -4.983 -11.263  26.758
  132    HD2  ARG  15           HD2      ARG  15  -5.047  -8.925  27.238
  133    HD3  ARG  15           HD1      ARG  15  -6.352  -9.144  28.521
  134    HE   ARG  15           HE       ARG  15  -4.017 -10.676  29.290
  135   HH11  ARG  15          HH11      ARG  15  -4.975  -7.209  28.905
  136   HH12  ARG  15          HH12      ARG  15  -3.876  -6.638  30.116
  137   HH21  ARG  15          HH21      ARG  15  -2.552  -9.836  30.918
  138   HH22  ARG  15          HH22      ARG  15  -2.491  -8.140  31.264
  139    H    LYS  16           HN       LYS  16  -9.313 -13.685  26.232
  140    HA   LYS  16           HA       LYS  16 -11.141 -12.251  24.564
  141    HB2  LYS  16           HB2      LYS  16 -11.120 -15.124  25.645
  142    HB3  LYS  16           HB1      LYS  16 -12.302 -14.551  24.400
  143    HG2  LYS  16           HG2      LYS  16 -10.539 -14.156  22.770
  144    HG3  LYS  16           HG1      LYS  16  -9.255 -14.345  24.001
  145    HD2  LYS  16           HD2      LYS  16  -9.163 -16.345  22.798
  146    HD3  LYS  16           HD1      LYS  16 -10.037 -16.759  24.304
  147    HE2  LYS  16           HE2      LYS  16 -12.243 -16.752  23.089
  148    HE3  LYS  16           HE1      LYS  16 -11.426 -16.212  21.565
  149    HZ1  LYS  16           HZ1      LYS  16 -10.377 -18.625  22.820
  150    HZ2  LYS  16           HZ2      LYS  16 -10.651 -18.253  21.185
  151    HZ3  LYS  16           HZ3      LYS  16 -11.945 -18.733  22.176
  152    H    LYS  17           HN       LYS  17 -11.205 -13.827  27.675
  153    HA   LYS  17           HA       LYS  17 -12.586 -13.910  29.404
  154    HB2  LYS  17           HB2      LYS  17 -12.843 -10.926  28.677
  155    HB3  LYS  17           HB1      LYS  17 -13.230 -11.615  30.298
  156    HG2  LYS  17           HG2      LYS  17 -10.962 -12.045  30.811
  157    HG3  LYS  17           HG1      LYS  17 -10.464 -12.152  29.091
  158    HD2  LYS  17           HD2      LYS  17  -9.503 -10.112  29.911
  159    HD3  LYS  17           HD1      LYS  17 -10.898  -9.622  28.891
  160    HE2  LYS  17           HE2      LYS  17 -12.288  -9.185  30.959
  161    HE3  LYS  17           HE1      LYS  17 -10.929  -9.761  32.007
  162    HZ1  LYS  17           HZ1      LYS  17 -11.157  -7.304  30.391
  163    HZ2  LYS  17           HZ2      LYS  17  -9.624  -7.936  30.759
  164    HZ3  LYS  17           HZ3      LYS  17 -10.690  -7.511  32.011
  Start of MODEL   11
    1    H1   GLU   1           HT1      GLU   1   9.053 -17.465  12.853
    2    H2   GLU   1           HT2      GLU   1   9.106 -18.782  11.782
    3    H3   GLU   1           HT3      GLU   1  10.544 -18.002  12.241
    4    HA   GLU   1           HA       GLU   1   8.888 -19.903  13.691
    5    HB2  GLU   1           HB2      GLU   1  11.914 -19.352  13.375
    6    HB3  GLU   1           HB1      GLU   1  11.301 -20.507  14.618
    7    HG2  GLU   1           HG2      GLU   1  10.217 -21.908  12.816
    8    HG3  GLU   1           HG1      GLU   1  10.815 -20.758  11.556
    9    H    MET   2           HN       MET   2   7.997 -19.432  15.667
   10    HA   MET   2           HA       MET   2   9.504 -17.714  17.513
   11    HB2  MET   2           HB2      MET   2   6.814 -17.075  16.319
   12    HB3  MET   2           HB1      MET   2   6.851 -17.120  18.125
   13    HG2  MET   2           HG2      MET   2   8.441 -15.379  18.263
   14    HG3  MET   2           HG1      MET   2   8.882 -15.466  16.526
   15    HE1  MET   2           HE1      MET   2   8.762 -12.931  16.273
   16    HE2  MET   2           HE2      MET   2   8.380 -12.794  18.024
   17    HE3  MET   2           HE3      MET   2   7.401 -11.889  16.818
   18    H    ALA   3           HN       ALA   3   9.386 -18.352  19.551
   19    HA   ALA   3           HA       ALA   3   7.579 -20.483  20.090
   20    HB1  ALA   3           HB1      ALA   3   9.656 -19.675  22.023
   21    HB2  ALA   3           HB2      ALA   3  10.100 -20.702  20.605
   22    HB3  ALA   3           HB3      ALA   3   8.874 -21.289  21.810
   23    H    LEU   4           HN       LEU   4   7.333 -17.402  20.255
   24    HA   LEU   4           HA       LEU   4   6.242 -17.455  22.901
   25    HB2  LEU   4           HB2      LEU   4   5.256 -15.363  21.209
   26    HB3  LEU   4           HB1      LEU   4   6.002 -15.226  22.830
   27    HG   LEU   4           HG       LEU   4   7.472 -15.588  20.219
   28   HD11  LEU   4          HD11      LEU   4   6.625 -13.021  21.652
   29   HD12  LEU   4          HD12      LEU   4   6.168 -13.633  20.010
   30   HD13  LEU   4          HD13      LEU   4   7.871 -13.074  20.329
   31   HD21  LEU   4          HD21      LEU   4   9.390 -14.461  21.784
   32   HD22  LEU   4          HD22      LEU   4   9.048 -16.246  21.803
   33   HD23  LEU   4          HD23      LEU   4   8.372 -15.179  23.104
   34    H    SER   5           HN       SER   5   5.665 -18.173  19.754
   35    HA   SER   5           HA       SER   5   3.161 -17.181  19.517
   36    HB2  SER   5           HB2      SER   5   4.643 -17.695  17.702
   37    HB3  SER   5           HB1      SER   5   4.586 -19.450  18.113
   38    HG   SER   5           HG       SER   5   3.213 -18.896  16.360
   39    H    LYS   6           HN       LYS   6   4.472 -19.689  21.320
   40    HA   LYS   6           HA       LYS   6   2.133 -21.424  21.511
   41    HB2  LYS   6           HB2      LYS   6   4.993 -21.181  22.558
   42    HB3  LYS   6           HB1      LYS   6   3.845 -22.242  23.465
   43    HG2  LYS   6           HG2      LYS   6   4.638 -23.877  22.092
   44    HG3  LYS   6           HG1      LYS   6   3.478 -23.202  20.907
   45    HD2  LYS   6           HD2      LYS   6   5.294 -21.783  19.909
   46    HD3  LYS   6           HD1      LYS   6   6.460 -22.421  21.122
   47    HE2  LYS   6           HE2      LYS   6   6.112 -24.783  20.190
   48    HE3  LYS   6           HE1      LYS   6   5.011 -24.092  18.929
   49    HZ1  LYS   6           HZ1      LYS   6   7.819 -23.196  19.310
   50    HZ2  LYS   6           HZ2      LYS   6   6.784 -22.911  17.993
   51    HZ3  LYS   6           HZ3      LYS   6   7.374 -24.477  18.286
   52    H    PHE   7           HN       PHE   7   4.130 -19.028  23.029
   53    HA   PHE   7           HA       PHE   7   2.774 -19.046  25.486
   54    HB2  PHE   7           HB2      PHE   7   4.531 -16.947  24.265
   55    HB3  PHE   7           HB1      PHE   7   3.903 -16.877  25.951
   56    HD1  PHE   7           HD1      PHE   7   6.758 -16.692  25.088
   57    HD2  PHE   7           HD2      PHE   7   4.463 -20.079  26.331
   58    HE1  PHE   7           HE1      PHE   7   8.735 -17.825  25.784
   59    HE2  PHE   7           HE2      PHE   7   6.450 -21.158  26.995
   60    HZ   PHE   7           HZ       PHE   7   8.647 -20.076  26.767
   61    H    PHE   8           HN       PHE   8   2.411 -17.506  22.403
   62    HA   PHE   8           HA       PHE   8   0.589 -15.615  23.094
   63    HB2  PHE   8           HB2      PHE   8   1.456 -16.852  20.576
   64    HB3  PHE   8           HB1      PHE   8  -0.224 -16.170  20.480
   65    HD1  PHE   8           HD1      PHE   8   3.138 -15.285  20.130
   66    HD2  PHE   8           HD2      PHE   8  -0.416 -14.196  21.927
   67    HE1  PHE   8           HE1      PHE   8   4.106 -13.339  20.868
   68    HE2  PHE   8           HE2      PHE   8   0.309 -12.226  22.666
   69    HZ   PHE   8           HZ       PHE   8   2.683 -11.706  22.105
   70    H    ARG   9           HN       ARG   9  -0.104 -18.886  22.411
   71    HA   ARG   9           HA       ARG   9  -2.769 -18.306  22.347
   72    HB2  ARG   9           HB2      ARG   9  -0.942 -20.598  22.277
   73    HB3  ARG   9           HB1      ARG   9  -2.357 -21.016  23.290
   74    HG2  ARG   9           HG2      ARG   9  -3.285 -21.707  21.335
   75    HG3  ARG   9           HG1      ARG   9  -3.635 -19.974  21.070
   76    HD2  ARG   9           HD2      ARG   9  -1.870 -19.699  19.483
   77    HD3  ARG   9           HD1      ARG   9  -0.968 -21.180  20.067
   78    HE   ARG   9           HE       ARG   9  -3.487 -22.119  19.260
   79   HH11  ARG   9          HH11      ARG   9  -0.786 -20.371  17.613
   80   HH12  ARG   9          HH12      ARG   9  -1.115 -21.061  16.059
   81   HH21  ARG   9          HH21      ARG   9  -3.882 -23.017  17.127
   82   HH22  ARG   9          HH22      ARG   9  -2.886 -22.571  15.782
   83    H    ASP  10           HN       ASP  10  -0.529 -18.070  24.963
   84    HA   ASP  10           HA       ASP  10  -2.686 -18.867  26.712
   85    HB2  ASP  10           HB2      ASP  10   0.235 -18.368  27.509
   86    HB3  ASP  10           HB1      ASP  10  -1.068 -18.820  28.663
   87    H    PHE  11           HN       PHE  11  -1.016 -15.856  25.708
   88    HA   PHE  11           HA       PHE  11  -1.942 -14.659  28.171
   89    HB2  PHE  11           HB2      PHE  11  -1.181 -12.891  25.851
   90    HB3  PHE  11           HB1      PHE  11  -0.940 -12.591  27.625
   91    HD1  PHE  11           HD1      PHE  11   0.070 -13.978  24.597
   92    HD2  PHE  11           HD2      PHE  11   1.192 -13.508  28.639
   93    HE1  PHE  11           HE1      PHE  11   2.178 -14.549  24.012
   94    HE2  PHE  11           HE2      PHE  11   3.480 -14.073  28.027
   95    HZ   PHE  11           HZ       PHE  11   4.057 -14.536  25.683
   96    H    ILE  12           HN       ILE  12  -2.453 -14.140  24.675
   97    HA   ILE  12           HA       ILE  12  -4.298 -12.032  25.094
   98    HB   ILE  12           HB       ILE  12  -4.584 -13.414  22.563
   99   HG12  ILE  12          HG12      ILE  12  -2.040 -11.921  22.503
  100   HG13  ILE  12          HG11      ILE  12  -1.940 -13.425  23.509
  101   HG21  ILE  12          HG21      ILE  12  -4.348 -11.078  21.655
  102   HG22  ILE  12          HG22      ILE  12  -3.999 -10.476  23.321
  103   HG23  ILE  12          HG23      ILE  12  -5.612 -11.196  22.936
  104   HD11  ILE  12          HD11      ILE  12  -2.116 -14.744  21.856
  105   HD12  ILE  12          HD12      ILE  12  -1.878 -13.329  20.740
  106   HD13  ILE  12          HD13      ILE  12  -3.553 -13.925  21.140
  107    H    LEU  13           HN       LEU  13  -4.582 -15.461  24.894
  108    HA   LEU  13           HA       LEU  13  -7.227 -15.333  24.081
  109    HB2  LEU  13           HB2      LEU  13  -5.262 -17.489  24.738
  110    HB3  LEU  13           HB1      LEU  13  -6.977 -17.903  24.332
  111    HG   LEU  13           HG       LEU  13  -6.562 -16.304  22.282
  112   HD11  LEU  13          HD11      LEU  13  -3.835 -16.358  23.351
  113   HD12  LEU  13          HD12      LEU  13  -4.691 -15.252  22.242
  114   HD13  LEU  13          HD13      LEU  13  -3.940 -16.727  21.575
  115   HD21  LEU  13          HD21      LEU  13  -5.698 -18.212  20.846
  116   HD22  LEU  13          HD22      LEU  13  -7.018 -18.717  21.968
  117   HD23  LEU  13          HD23      LEU  13  -5.301 -19.115  22.359
  118    H    GLN  14           HN       GLN  14  -5.611 -15.306  27.084
  119    HA   GLN  14           HA       GLN  14  -8.021 -16.028  28.613
  120    HB2  GLN  14           HB2      GLN  14  -5.294 -14.854  29.501
  121    HB3  GLN  14           HB1      GLN  14  -6.665 -15.173  30.642
  122    HG2  GLN  14           HG2      GLN  14  -6.590 -17.652  29.881
  123    HG3  GLN  14           HG1      GLN  14  -5.079 -17.245  28.978
  124   HE21  GLN  14          HE21      GLN  14  -3.201 -17.701  30.152
  125   HE22  GLN  14          HE22      GLN  14  -3.041 -17.629  31.875
  126    H    ARG  15           HN       ARG  15  -7.132 -13.465  26.662
  127    HA   ARG  15           HA       ARG  15  -8.338 -11.412  28.294
  128    HB2  ARG  15           HB2      ARG  15  -6.868 -11.307  25.632
  129    HB3  ARG  15           HB1      ARG  15  -7.426  -9.861  26.581
  130    HG2  ARG  15           HG2      ARG  15  -5.880 -11.747  28.231
  131    HG3  ARG  15           HG1      ARG  15  -4.975 -11.268  26.779
  132    HD2  ARG  15           HD2      ARG  15  -5.048  -8.939  27.301
  133    HD3  ARG  15           HD1      ARG  15  -6.349  -9.186  28.582
  134    HE   ARG  15           HE       ARG  15  -4.025 -10.729  29.332
  135   HH11  ARG  15          HH11      ARG  15  -4.932  -7.249  28.957
  136   HH12  ARG  15          HH12      ARG  15  -3.818  -6.694  30.162
  137   HH21  ARG  15          HH21      ARG  15  -2.539  -9.915  30.955
  138   HH22  ARG  15          HH22      ARG  15  -2.451  -8.220  31.303
  139    H    LYS  16           HN       LYS  16  -9.305 -13.677  26.212
  140    HA   LYS  16           HA       LYS  16 -11.132 -12.223  24.561
  141    HB2  LYS  16           HB2      LYS  16 -11.108 -15.108  25.606
  142    HB3  LYS  16           HB1      LYS  16 -12.287 -14.522  24.364
  143    HG2  LYS  16           HG2      LYS  16 -10.514 -14.098  22.746
  144    HG3  LYS  16           HG1      LYS  16  -9.237 -14.313  23.980
  145    HD2  LYS  16           HD2      LYS  16  -9.145 -16.293  22.747
  146    HD3  LYS  16           HD1      LYS  16 -10.033 -16.728  24.240
  147    HE2  LYS  16           HE2      LYS  16 -12.231 -16.687  23.004
  148    HE3  LYS  16           HE1      LYS  16 -11.395 -16.131  21.498
  149    HZ1  LYS  16           HZ1      LYS  16 -10.122 -18.213  21.566
  150    HZ2  LYS  16           HZ2      LYS  16 -11.796 -18.457  21.415
  151    HZ3  LYS  16           HZ3      LYS  16 -11.029 -18.729  22.906
  152    H    LYS  17           HN       LYS  17 -11.195 -13.841  27.652
  153    HA   LYS  17           HA       LYS  17 -12.570 -13.946  29.382
  154    HB2  LYS  17           HB2      LYS  17 -12.862 -10.959  28.681
  155    HB3  LYS  17           HB1      LYS  17 -13.240 -11.666  30.296
  156    HG2  LYS  17           HG2      LYS  17 -10.970 -12.065  30.810
  157    HG3  LYS  17           HG1      LYS  17 -10.469 -12.168  29.090
  158    HD2  LYS  17           HD2      LYS  17  -9.528 -10.117  29.917
  159    HD3  LYS  17           HD1      LYS  17 -10.921  -9.643  28.885
  160    HE2  LYS  17           HE2      LYS  17 -12.330  -9.218  30.944
  161    HE3  LYS  17           HE1      LYS  17 -10.968  -9.771  32.002
  162    HZ1  LYS  17           HZ1      LYS  17 -10.768  -7.502  30.086
  163    HZ2  LYS  17           HZ2      LYS  17  -9.679  -7.940  31.313
  164    HZ3  LYS  17           HZ3      LYS  17 -11.213  -7.337  31.717
  Start of MODEL   12
    1    H1   GLU   1           HT1      GLU   1  10.624 -18.063  12.107
    2    H2   GLU   1           HT2      GLU   1   9.280 -17.338  12.851
    3    H3   GLU   1           HT3      GLU   1   9.062 -18.650  11.794
    4    HA   GLU   1           HA       GLU   1   8.959 -19.851  13.624
    5    HB2  GLU   1           HB2      GLU   1  11.983 -19.299  13.315
    6    HB3  GLU   1           HB1      GLU   1  11.381 -20.432  14.582
    7    HG2  GLU   1           HG2      GLU   1  10.292 -21.870  12.814
    8    HG3  GLU   1           HG1      GLU   1  10.882 -20.743  11.530
    9    H    MET   2           HN       MET   2   8.042 -19.393  15.591
   10    HA   MET   2           HA       MET   2   9.534 -17.698  17.472
   11    HB2  MET   2           HB2      MET   2   6.854 -17.043  16.264
   12    HB3  MET   2           HB1      MET   2   6.877 -17.112  18.070
   13    HG2  MET   2           HG2      MET   2   8.464 -15.372  18.245
   14    HG3  MET   2           HG1      MET   2   8.929 -15.440  16.514
   15    HE1  MET   2           HE1      MET   2   7.455 -11.864  16.832
   16    HE2  MET   2           HE2      MET   2   8.818 -12.901  16.289
   17    HE3  MET   2           HE3      MET   2   8.416 -12.788  18.038
   18    H    ALA   3           HN       ALA   3   9.418 -18.381  19.493
   19    HA   ALA   3           HA       ALA   3   7.592 -20.505  19.996
   20    HB1  ALA   3           HB1      ALA   3   8.885 -21.353  21.700
   21    HB2  ALA   3           HB2      ALA   3   9.680 -19.743  21.938
   22    HB3  ALA   3           HB3      ALA   3  10.111 -20.760  20.507
   23    H    LEU   4           HN       LEU   4   7.375 -17.425  20.216
   24    HA   LEU   4           HA       LEU   4   6.294 -17.511  22.861
   25    HB2  LEU   4           HB2      LEU   4   5.322 -15.386  21.202
   26    HB3  LEU   4           HB1      LEU   4   6.068 -15.279  22.825
   27    HG   LEU   4           HG       LEU   4   7.534 -15.613  20.208
   28   HD11  LEU   4          HD11      LEU   4   6.729 -13.057  21.686
   29   HD12  LEU   4          HD12      LEU   4   6.235 -13.642  20.044
   30   HD13  LEU   4          HD13      LEU   4   7.951 -13.111  20.342
   31   HD21  LEU   4          HD21      LEU   4   9.108 -16.308  21.774
   32   HD22  LEU   4          HD22      LEU   4   8.439 -15.265  23.098
   33   HD23  LEU   4          HD23      LEU   4   9.460 -14.525  21.795
   34    H    SER   5           HN       SER   5   5.697 -18.174  19.706
   35    HA   SER   5           HA       SER   5   3.201 -17.157  19.494
   36    HB2  SER   5           HB2      SER   5   4.666 -17.655  17.665
   37    HB3  SER   5           HB1      SER   5   4.601 -19.416  18.053
   38    HG   SER   5           HG       SER   5   3.194 -18.424  16.292
   39    H    LYS   6           HN       LYS   6   4.494 -19.704  21.253
   40    HA   LYS   6           HA       LYS   6   2.137 -21.416  21.426
   41    HB2  LYS   6           HB2      LYS   6   5.003 -21.221  22.466
   42    HB3  LYS   6           HB1      LYS   6   3.847 -22.288  23.358
   43    HG2  LYS   6           HG2      LYS   6   4.598 -23.909  21.949
   44    HG3  LYS   6           HG1      LYS   6   3.467 -23.180  20.767
   45    HD2  LYS   6           HD2      LYS   6   5.326 -21.777  19.825
   46    HD3  LYS   6           HD1      LYS   6   6.465 -22.473  21.034
   47    HE2  LYS   6           HE2      LYS   6   6.056 -24.806  20.039
   48    HE3  LYS   6           HE1      LYS   6   5.007 -24.044  18.774
   49    HZ1  LYS   6           HZ1      LYS   6   7.406 -24.499  18.219
   50    HZ2  LYS   6           HZ2      LYS   6   7.814 -23.197  19.232
   51    HZ3  LYS   6           HZ3      LYS   6   6.823 -22.941  17.876
   52    H    PHE   7           HN       PHE   7   4.169 -19.069  22.977
   53    HA   PHE   7           HA       PHE   7   2.829 -19.117  25.442
   54    HB2  PHE   7           HB2      PHE   7   4.598 -17.015  24.245
   55    HB3  PHE   7           HB1      PHE   7   3.985 -16.969  25.938
   56    HD1  PHE   7           HD1      PHE   7   6.834 -16.795  25.058
   57    HD2  PHE   7           HD2      PHE   7   4.517 -20.186  26.250
   58    HE1  PHE   7           HE1      PHE   7   8.806 -17.960  25.718
   59    HE2  PHE   7           HE2      PHE   7   6.499 -21.295  26.877
   60    HZ   PHE   7           HZ       PHE   7   8.703 -20.229  26.655
   61    H    PHE   8           HN       PHE   8   2.460 -17.520  22.391
   62    HA   PHE   8           HA       PHE   8   0.664 -15.619  23.122
   63    HB2  PHE   8           HB2      PHE   8   1.502 -16.835  20.582
   64    HB3  PHE   8           HB1      PHE   8  -0.171 -16.137  20.505
   65    HD1  PHE   8           HD1      PHE   8   3.195 -15.279  20.142
   66    HD2  PHE   8           HD2      PHE   8  -0.336 -14.180  21.974
   67    HE1  PHE   8           HE1      PHE   8   4.186 -13.349  20.895
   68    HE2  PHE   8           HE2      PHE   8   0.412 -12.226  22.730
   69    HZ   PHE   8           HZ       PHE   8   2.787 -11.719  22.161
   70    H    ARG   9           HN       ARG   9  -0.068 -18.873  22.396
   71    HA   ARG   9           HA       ARG   9  -2.724 -18.274  22.354
   72    HB2  ARG   9           HB2      ARG   9  -0.918 -20.568  22.230
   73    HB3  ARG   9           HB1      ARG   9  -2.288 -20.996  23.298
   74    HG2  ARG   9           HG2      ARG   9  -3.335 -21.660  21.403
   75    HG3  ARG   9           HG1      ARG   9  -3.628 -19.922  21.103
   76    HD2  ARG   9           HD2      ARG   9  -1.937 -19.757  19.442
   77    HD3  ARG   9           HD1      ARG   9  -1.023 -21.214  20.061
   78    HE   ARG   9           HE       ARG   9  -3.568 -22.178  19.372
   79   HH11  ARG   9          HH11      ARG   9  -0.914 -20.512  17.572
   80   HH12  ARG   9          HH12      ARG   9  -1.289 -21.268  16.059
   81   HH21  ARG   9          HH21      ARG   9  -4.025 -23.171  17.294
   82   HH22  ARG   9          HH22      ARG   9  -3.068 -22.788  15.902
   83    H    ASP  10           HN       ASP  10  -0.468 -18.083  24.972
   84    HA   ASP  10           HA       ASP  10  -2.636 -18.866  26.712
   85    HB2  ASP  10           HB2      ASP  10   0.291 -18.436  27.519
   86    HB3  ASP  10           HB1      ASP  10  -1.023 -18.859  28.672
   87    H    PHE  11           HN       PHE  11  -0.921 -15.866  25.756
   88    HA   PHE  11           HA       PHE  11  -1.818 -14.691  28.242
   89    HB2  PHE  11           HB2      PHE  11  -1.047 -12.907  25.936
   90    HB3  PHE  11           HB1      PHE  11  -0.784 -12.633  27.712
   91    HD1  PHE  11           HD1      PHE  11   0.175 -13.985  24.652
   92    HD2  PHE  11           HD2      PHE  11   1.340 -13.611  28.693
   93    HE1  PHE  11           HE1      PHE  11   2.269 -14.580  24.039
   94    HE2  PHE  11           HE2      PHE  11   3.612 -14.203  28.049
   95    HZ   PHE  11           HZ       PHE  11   4.160 -14.629  25.690
   96    H    ILE  12           HN       ILE  12  -2.364 -14.158  24.754
   97    HA   ILE  12           HA       ILE  12  -4.181 -12.033  25.229
   98    HB   ILE  12           HB       ILE  12  -4.489 -13.350  22.671
   99   HG12  ILE  12          HG12      ILE  12  -1.925 -11.890  22.632
  100   HG13  ILE  12          HG11      ILE  12  -1.840 -13.420  23.603
  101   HG21  ILE  12          HG21      ILE  12  -3.854 -10.438  23.490
  102   HG22  ILE  12          HG22      ILE  12  -5.481 -11.125  23.107
  103   HG23  ILE  12          HG23      ILE  12  -4.231 -11.000  21.816
  104   HD11  ILE  12          HD11      ILE  12  -2.044 -14.697  21.920
  105   HD12  ILE  12          HD12      ILE  12  -1.790 -13.259  20.837
  106   HD13  ILE  12          HD13      ILE  12  -3.472 -13.839  21.230
  107    H    LEU  13           HN       LEU  13  -4.479 -15.462  24.962
  108    HA   LEU  13           HA       LEU  13  -7.136 -15.288  24.160
  109    HB2  LEU  13           HB2      LEU  13  -5.204 -17.498  24.726
  110    HB3  LEU  13           HB1      LEU  13  -6.928 -17.863  24.321
  111    HG   LEU  13           HG       LEU  13  -6.504 -16.197  22.331
  112   HD11  LEU  13          HD11      LEU  13  -3.773 -16.337  23.372
  113   HD12  LEU  13          HD12      LEU  13  -4.613 -15.187  22.296
  114   HD13  LEU  13          HD13      LEU  13  -3.889 -16.657  21.586
  115   HD21  LEU  13          HD21      LEU  13  -5.674 -18.074  20.818
  116   HD22  LEU  13          HD22      LEU  13  -7.019 -18.574  21.913
  117   HD23  LEU  13          HD23      LEU  13  -5.320 -19.042  22.302
  118    H    GLN  14           HN       GLN  14  -5.516 -15.353  27.157
  119    HA   GLN  14           HA       GLN  14  -7.879 -16.169  28.691
  120    HB2  GLN  14           HB2      GLN  14  -5.219 -14.826  29.539
  121    HB3  GLN  14           HB1      GLN  14  -6.570 -15.157  30.703
  122    HG2  GLN  14           HG2      GLN  14  -6.402 -17.651  30.063
  123    HG3  GLN  14           HG1      GLN  14  -4.944 -17.235  29.083
  124   HE21  GLN  14          HE21      GLN  14  -3.071 -17.779  30.227
  125   HE22  GLN  14          HE22      GLN  14  -2.820 -17.547  31.924
  126    H    ARG  15           HN       ARG  15  -7.124 -13.573  26.736
  127    HA   ARG  15           HA       ARG  15  -8.558 -11.614  28.280
  128    HB2  ARG  15           HB2      ARG  15  -7.085 -11.374  25.640
  129    HB3  ARG  15           HB1      ARG  15  -7.761 -10.001  26.630
  130    HG2  ARG  15           HG2      ARG  15  -6.204 -11.537  28.439
  131    HG3  ARG  15           HG1      ARG  15  -5.270 -11.537  26.919
  132    HD2  ARG  15           HD2      ARG  15  -5.218  -9.076  26.841
  133    HD3  ARG  15           HD1      ARG  15  -6.389  -8.984  28.259
  134    HE   ARG  15           HE       ARG  15  -4.011 -10.493  29.017
  135   HH11  ARG  15          HH11      ARG  15  -5.041  -7.099  28.315
  136   HH12  ARG  15          HH12      ARG  15  -3.842  -6.387  29.341
  137   HH21  ARG  15          HH21      ARG  15  -2.410  -9.465  30.392
  138   HH22  ARG  15          HH22      ARG  15  -2.339  -7.739  30.527
  139    H    LYS  16           HN       LYS  16  -9.443 -14.062  26.653
  140    HA   LYS  16           HA       LYS  16 -11.506 -12.753  25.041
  141    HB2  LYS  16           HB2      LYS  16 -10.784 -15.673  25.592
  142    HB3  LYS  16           HB1      LYS  16 -12.174 -15.174  24.553
  143    HG2  LYS  16           HG2      LYS  16 -10.713 -14.106  22.931
  144    HG3  LYS  16           HG1      LYS  16  -9.284 -14.235  24.004
  145    HD2  LYS  16           HD2      LYS  16  -8.954 -15.910  22.397
  146    HD3  LYS  16           HD1      LYS  16  -9.500 -16.761  23.874
  147    HE2  LYS  16           HE2      LYS  16 -11.805 -17.070  22.896
  148    HE3  LYS  16           HE1      LYS  16 -11.343 -16.094  21.441
  149    HZ1  LYS  16           HZ1      LYS  16 -10.496 -18.803  22.245
  150    HZ2  LYS  16           HZ2      LYS  16  -9.499 -17.868  21.238
  151    HZ3  LYS  16           HZ3      LYS  16 -11.086 -18.237  20.757
  152    H    LYS  17           HN       LYS  17 -12.109 -11.690  26.856
  153    HA   LYS  17           HA       LYS  17 -13.683 -13.157  28.867
  154    HB2  LYS  17           HB2      LYS  17 -12.469 -10.312  28.904
  155    HB3  LYS  17           HB1      LYS  17 -13.307 -11.120  30.283
  156    HG2  LYS  17           HG2      LYS  17 -11.483 -12.614  30.692
  157    HG3  LYS  17           HG1      LYS  17 -10.792 -12.450  29.038
  158    HD2  LYS  17           HD2      LYS  17  -9.310 -11.257  30.499
  159    HD3  LYS  17           HD1      LYS  17 -10.220 -10.010  29.592
  160    HE2  LYS  17           HE2      LYS  17 -11.678  -9.573  31.622
  161    HE3  LYS  17           HE1      LYS  17 -10.834 -10.896  32.525
  162    HZ1  LYS  17           HZ1      LYS  17  -9.116  -9.581  32.931
  163    HZ2  LYS  17           HZ2      LYS  17 -10.166  -8.301  32.551
  164    HZ3  LYS  17           HZ3      LYS  17  -9.088  -8.892  31.379
  Start of MODEL   13
    1    H1   GLU   1           HT1      GLU   1  10.216 -18.649  11.679
    2    H2   GLU   1           HT2      GLU   1  10.281 -17.390  12.818
    3    H3   GLU   1           HT3      GLU   1   8.783 -17.902  12.203
    4    HA   GLU   1           HA       GLU   1   8.647 -19.669  13.502
    5    HB2  GLU   1           HB2      GLU   1  10.844 -20.575  12.393
    6    HB3  GLU   1           HB1      GLU   1  11.730 -19.837  13.775
    7    HG2  GLU   1           HG2      GLU   1  10.460 -21.316  15.391
    8    HG3  GLU   1           HG1      GLU   1   9.525 -22.028  14.019
    9    H    MET   2           HN       MET   2   7.856 -19.229  15.535
   10    HA   MET   2           HA       MET   2   9.580 -17.772  17.437
   11    HB2  MET   2           HB2      MET   2   6.918 -16.884  16.353
   12    HB3  MET   2           HB1      MET   2   6.972 -17.052  18.149
   13    HG2  MET   2           HG2      MET   2   7.448 -14.777  17.673
   14    HG3  MET   2           HG1      MET   2   8.996 -15.522  18.171
   15    HE1  MET   2           HE1      MET   2   8.673 -12.693  16.830
   16    HE2  MET   2           HE2      MET   2  10.070 -12.685  15.701
   17    HE3  MET   2           HE3      MET   2  10.241 -13.415  17.335
   18    H    ALA   3           HN       ALA   3   9.428 -18.462  19.476
   19    HA   ALA   3           HA       ALA   3   7.536 -20.537  19.943
   20    HB1  ALA   3           HB1      ALA   3   8.810 -21.465  21.615
   21    HB2  ALA   3           HB2      ALA   3   9.643 -19.883  21.903
   22    HB3  ALA   3           HB3      ALA   3  10.054 -20.867  20.443
   23    H    LEU   4           HN       LEU   4   7.383 -17.464  20.222
   24    HA   LEU   4           HA       LEU   4   6.321 -17.571  22.880
   25    HB2  LEU   4           HB2      LEU   4   5.373 -15.401  21.269
   26    HB3  LEU   4           HB1      LEU   4   6.155 -15.334  22.876
   27    HG   LEU   4           HG       LEU   4   7.568 -15.664  20.228
   28   HD11  LEU   4          HD11      LEU   4   6.307 -13.673  20.092
   29   HD12  LEU   4          HD12      LEU   4   8.033 -13.168  20.383
   30   HD13  LEU   4          HD13      LEU   4   6.821 -13.109  21.734
   31   HD21  LEU   4          HD21      LEU   4   9.154 -16.400  21.765
   32   HD22  LEU   4          HD22      LEU   4   8.526 -15.353  23.107
   33   HD23  LEU   4          HD23      LEU   4   9.539 -14.624  21.790
   34    H    SER   5           HN       SER   5   5.682 -18.178  19.718
   35    HA   SER   5           HA       SER   5   3.204 -17.113  19.545
   36    HB2  SER   5           HB2      SER   5   4.654 -17.634  17.699
   37    HB3  SER   5           HB1      SER   5   4.522 -19.396  18.062
   38    HG   SER   5           HG       SER   5   3.125 -18.235  16.344
   39    H    LYS   6           HN       LYS   6   4.464 -19.703  21.263
   40    HA   LYS   6           HA       LYS   6   2.071 -21.379  21.452
   41    HB2  LYS   6           HB2      LYS   6   4.961 -21.245  22.450
   42    HB3  LYS   6           HB1      LYS   6   3.799 -22.309  23.337
   43    HG2  LYS   6           HG2      LYS   6   4.521 -23.912  21.889
   44    HG3  LYS   6           HG1      LYS   6   3.366 -23.159  20.748
   45    HD2  LYS   6           HD2      LYS   6   5.216 -21.750  19.784
   46    HD3  LYS   6           HD1      LYS   6   6.377 -22.486  20.946
   47    HE2  LYS   6           HE2      LYS   6   5.912 -24.792  19.914
   48    HE3  LYS   6           HE1      LYS   6   4.837 -23.991  18.697
   49    HZ1  LYS   6           HZ1      LYS   6   6.601 -23.042  17.666
   50    HZ2  LYS   6           HZ2      LYS   6   7.323 -24.480  18.212
   51    HZ3  LYS   6           HZ3      LYS   6   7.595 -23.024  19.042
   52    H    PHE   7           HN       PHE   7   4.171 -19.072  22.992
   53    HA   PHE   7           HA       PHE   7   2.858 -19.126  25.477
   54    HB2  PHE   7           HB2      PHE   7   4.648 -17.039  24.279
   55    HB3  PHE   7           HB1      PHE   7   4.049 -16.997  25.977
   56    HD1  PHE   7           HD1      PHE   7   6.894 -16.862  25.077
   57    HD2  PHE   7           HD2      PHE   7   4.532 -20.223  26.261
   58    HE1  PHE   7           HE1      PHE   7   8.851 -18.063  25.709
   59    HE2  PHE   7           HE2      PHE   7   6.500 -21.370  26.863
   60    HZ   PHE   7           HZ       PHE   7   8.721 -20.339  26.630
   61    H    PHE   8           HN       PHE   8   2.494 -17.482  22.447
   62    HA   PHE   8           HA       PHE   8   0.728 -15.564  23.210
   63    HB2  PHE   8           HB2      PHE   8   1.531 -16.769  20.654
   64    HB3  PHE   8           HB1      PHE   8  -0.129 -16.039  20.594
   65    HD1  PHE   8           HD1      PHE   8   3.248 -15.234  20.213
   66    HD2  PHE   8           HD2      PHE   8  -0.249 -14.103  22.091
   67    HE1  PHE   8           HE1      PHE   8   4.276 -13.332  20.983
   68    HE2  PHE   8           HE2      PHE   8   0.526 -12.176  22.866
   69    HZ   PHE   8           HZ       PHE   8   2.914 -11.694  22.283
   70    H    ARG   9           HN       ARG   9  -0.012 -18.778  22.454
   71    HA   ARG   9           HA       ARG   9  -2.669 -18.193  22.396
   72    HB2  ARG   9           HB2      ARG   9  -0.937 -20.586  22.637
   73    HB3  ARG   9           HB1      ARG   9  -2.701 -20.803  22.932
   74    HG2  ARG   9           HG2      ARG   9  -3.083 -19.693  20.641
   75    HG3  ARG   9           HG1      ARG   9  -1.293 -19.792  20.393
   76    HD2  ARG   9           HD2      ARG   9  -1.342 -22.237  20.646
   77    HD3  ARG   9           HD1      ARG   9  -3.126 -22.164  21.041
   78    HE   ARG   9           HE       ARG   9  -2.649 -20.841  18.547
   79   HH11  ARG   9          HH11      ARG   9  -2.707 -24.185  19.899
   80   HH12  ARG   9          HH12      ARG   9  -3.145 -24.929  18.398
   81   HH21  ARG   9          HH21      ARG   9  -3.248 -21.907  16.531
   82   HH22  ARG   9          HH22      ARG   9  -3.453 -23.626  16.473
   83    H    ASP  10           HN       ASP  10  -0.429 -18.055  25.029
   84    HA   ASP  10           HA       ASP  10  -2.620 -18.858  26.728
   85    HB2  ASP  10           HB2      ASP  10   0.300 -18.449  27.577
   86    HB3  ASP  10           HB1      ASP  10  -1.029 -18.876  28.713
   87    H    PHE  11           HN       PHE  11  -0.885 -15.852  25.829
   88    HA   PHE  11           HA       PHE  11  -1.814 -14.699  28.314
   89    HB2  PHE  11           HB2      PHE  11  -0.996 -12.890  26.045
   90    HB3  PHE  11           HB1      PHE  11  -0.749 -12.647  27.828
   91    HD1  PHE  11           HD1      PHE  11   0.238 -13.935  24.754
   92    HD2  PHE  11           HD2      PHE  11   1.345 -13.695  28.822
   93    HE1  PHE  11           HE1      PHE  11   2.333 -14.550  24.157
   94    HE2  PHE  11           HE2      PHE  11   3.616 -14.308  28.196
   95    HZ   PHE  11           HZ       PHE  11   4.194 -14.676  25.837
   96    H    ILE  12           HN       ILE  12  -2.307 -14.114  24.828
   97    HA   ILE  12           HA       ILE  12  -4.133 -12.000  25.310
   98    HB   ILE  12           HB       ILE  12  -4.398 -13.264  22.723
   99   HG12  ILE  12          HG12      ILE  12  -1.827 -11.813  22.753
  100   HG13  ILE  12          HG11      ILE  12  -1.763 -13.362  23.694
  101   HG21  ILE  12          HG21      ILE  12  -4.119 -10.898  21.918
  102   HG22  ILE  12          HG22      ILE  12  -3.765 -10.370  23.608
  103   HG23  ILE  12          HG23      ILE  12  -5.389 -11.043  23.190
  104   HD11  ILE  12          HD11      ILE  12  -1.666 -13.160  20.935
  105   HD12  ILE  12          HD12      ILE  12  -3.366 -13.720  21.286
  106   HD13  ILE  12          HD13      ILE  12  -1.957 -14.609  21.982
  107    H    LEU  13           HN       LEU  13  -4.422 -15.420  24.978
  108    HA   LEU  13           HA       LEU  13  -7.063 -15.245  24.122
  109    HB2  LEU  13           HB2      LEU  13  -5.121 -17.447  24.688
  110    HB3  LEU  13           HB1      LEU  13  -6.834 -17.826  24.255
  111    HG   LEU  13           HG       LEU  13  -6.409 -16.150  22.286
  112   HD11  LEU  13          HD11      LEU  13  -4.554 -15.089  22.276
  113   HD12  LEU  13          HD12      LEU  13  -3.772 -16.538  21.580
  114   HD13  LEU  13          HD13      LEU  13  -3.698 -16.214  23.369
  115   HD21  LEU  13          HD21      LEU  13  -5.577 -17.970  20.754
  116   HD22  LEU  13          HD22      LEU  13  -6.823 -18.589  21.904
  117   HD23  LEU  13          HD23      LEU  13  -5.075 -18.933  22.199
  118    H    GLN  14           HN       GLN  14  -5.500 -15.350  27.149
  119    HA   GLN  14           HA       GLN  14  -7.884 -16.211  28.623
  120    HB2  GLN  14           HB2      GLN  14  -5.250 -14.865  29.540
  121    HB3  GLN  14           HB1      GLN  14  -6.621 -15.212  30.675
  122    HG2  GLN  14           HG2      GLN  14  -6.436 -17.700  29.996
  123    HG3  GLN  14           HG1      GLN  14  -4.949 -17.262  29.068
  124   HE21  GLN  14          HE21      GLN  14  -3.093 -17.771  30.259
  125   HE22  GLN  14          HE22      GLN  14  -2.907 -17.581  31.970
  126    H    ARG  15           HN       ARG  15  -7.120 -13.577  26.725
  127    HA   ARG  15           HA       ARG  15  -8.604 -11.657  28.272
  128    HB2  ARG  15           HB2      ARG  15  -7.089 -11.361  25.663
  129    HB3  ARG  15           HB1      ARG  15  -7.794 -10.011  26.664
  130    HG2  ARG  15           HG2      ARG  15  -6.259 -11.542  28.484
  131    HG3  ARG  15           HG1      ARG  15  -5.300 -11.551  26.979
  132    HD2  ARG  15           HD2      ARG  15  -5.246  -9.086  26.895
  133    HD3  ARG  15           HD1      ARG  15  -6.434  -8.993  28.298
  134    HE   ARG  15           HE       ARG  15  -4.063 -10.502  29.082
  135   HH11  ARG  15          HH11      ARG  15  -5.102  -7.109  28.385
  136   HH12  ARG  15          HH12      ARG  15  -3.916  -6.395  29.426
  137   HH21  ARG  15          HH21      ARG  15  -2.481  -9.472  30.476
  138   HH22  ARG  15          HH22      ARG  15  -2.419  -7.748  30.620
  139    H    LYS  16           HN       LYS  16  -9.433 -14.091  26.590
  140    HA   LYS  16           HA       LYS  16 -11.477 -12.777  24.957
  141    HB2  LYS  16           HB2      LYS  16 -10.747 -15.701  25.483
  142    HB3  LYS  16           HB1      LYS  16 -12.117 -15.195  24.421
  143    HG2  LYS  16           HG2      LYS  16 -10.628 -14.102  22.844
  144    HG3  LYS  16           HG1      LYS  16  -9.223 -14.229  23.947
  145    HD2  LYS  16           HD2      LYS  16  -8.839 -15.886  22.334
  146    HD3  LYS  16           HD1      LYS  16  -9.416 -16.758  23.788
  147    HE2  LYS  16           HE2      LYS  16 -11.693 -17.074  22.748
  148    HE3  LYS  16           HE1      LYS  16 -11.202 -16.079  21.317
  149    HZ1  LYS  16           HZ1      LYS  16 -11.063 -18.400  20.841
  150    HZ2  LYS  16           HZ2      LYS  16 -10.040 -18.687  22.167
  151    HZ3  LYS  16           HZ3      LYS  16  -9.494 -17.748  20.862
  152    H    LYS  17           HN       LYS  17 -12.123 -11.746  26.776
  153    HA   LYS  17           HA       LYS  17 -13.724 -13.255  28.736
  154    HB2  LYS  17           HB2      LYS  17 -12.520 -10.405  28.837
  155    HB3  LYS  17           HB1      LYS  17 -13.387 -11.233  30.187
  156    HG2  LYS  17           HG2      LYS  17 -11.571 -12.741  30.605
  157    HG3  LYS  17           HG1      LYS  17 -10.840 -12.532  28.975
  158    HD2  LYS  17           HD2      LYS  17  -9.399 -11.368  30.495
  159    HD3  LYS  17           HD1      LYS  17 -10.299 -10.100  29.604
  160    HE2  LYS  17           HE2      LYS  17 -11.804  -9.731  31.611
  161    HE3  LYS  17           HE1      LYS  17 -10.974 -11.076  32.497
  162    HZ1  LYS  17           HZ1      LYS  17 -10.323  -8.507  32.671
  163    HZ2  LYS  17           HZ2      LYS  17  -9.252  -8.983  31.441
  164    HZ3  LYS  17           HZ3      LYS  17  -9.235  -9.783  32.938
  Start of MODEL   14
    1    H1   GLU   1           HT1      GLU   1  10.225 -17.273  12.698
    2    H2   GLU   1           HT2      GLU   1   8.653 -17.826  12.370
    3    H3   GLU   1           HT3      GLU   1   9.989 -18.576  11.635
    4    HA   GLU   1           HA       GLU   1   8.903 -19.748  13.568
    5    HB2  GLU   1           HB2      GLU   1  11.935 -19.136  13.440
    6    HB3  GLU   1           HB1      GLU   1  11.265 -20.351  14.594
    7    HG2  GLU   1           HG2      GLU   1  10.327 -21.694  12.670
    8    HG3  GLU   1           HG1      GLU   1  10.982 -20.483  11.499
    9    H    MET   2           HN       MET   2   7.904 -19.313  15.512
   10    HA   MET   2           HA       MET   2   9.302 -17.569  17.430
   11    HB2  MET   2           HB2      MET   2   6.590 -17.081  16.202
   12    HB3  MET   2           HB1      MET   2   6.628 -17.110  18.010
   13    HG2  MET   2           HG2      MET   2   8.123 -15.288  18.135
   14    HG3  MET   2           HG1      MET   2   8.572 -15.354  16.403
   15    HE1  MET   2           HE1      MET   2   5.846 -13.612  14.456
   16    HE2  MET   2           HE2      MET   2   6.328 -15.341  14.554
   17    HE3  MET   2           HE3      MET   2   7.581 -14.053  14.604
   18    H    ALA   3           HN       ALA   3   9.274 -18.312  19.414
   19    HA   ALA   3           HA       ALA   3   7.490 -20.468  19.956
   20    HB1  ALA   3           HB1      ALA   3   9.584 -19.693  21.878
   21    HB2  ALA   3           HB2      ALA   3  10.051 -20.639  20.411
   22    HB3  ALA   3           HB3      ALA   3   8.850 -21.317  21.594
   23    H    LEU   4           HN       LEU   4   7.238 -17.397  20.171
   24    HA   LEU   4           HA       LEU   4   6.237 -17.469  22.850
   25    HB2  LEU   4           HB2      LEU   4   5.201 -15.373  21.183
   26    HB3  LEU   4           HB1      LEU   4   5.981 -15.239  22.788
   27    HG   LEU   4           HG       LEU   4   7.403 -15.615  20.153
   28   HD11  LEU   4          HD11      LEU   4   6.089 -13.663  19.954
   29   HD12  LEU   4          HD12      LEU   4   7.806 -13.112  20.208
   30   HD13  LEU   4          HD13      LEU   4   6.606 -13.023  21.567
   31   HD21  LEU   4          HD21      LEU   4   9.335 -14.462  21.699
   32   HD22  LEU   4          HD22      LEU   4   9.013 -16.250  21.700
   33   HD23  LEU   4          HD23      LEU   4   8.342 -15.207  23.023
   34    H    SER   5           HN       SER   5   5.552 -18.181  19.728
   35    HA   SER   5           HA       SER   5   3.038 -17.216  19.581
   36    HB2  SER   5           HB2      SER   5   4.460 -17.735  17.721
   37    HB3  SER   5           HB1      SER   5   4.423 -19.486  18.141
   38    HG   SER   5           HG       SER   5   2.909 -18.366  16.440
   39    H    LYS   6           HN       LYS   6   4.428 -19.696  21.360
   40    HA   LYS   6           HA       LYS   6   2.124 -21.468  21.656
   41    HB2  LYS   6           HB2      LYS   6   5.029 -21.166  22.558
   42    HB3  LYS   6           HB1      LYS   6   3.949 -22.228  23.542
   43    HG2  LYS   6           HG2      LYS   6   4.796 -23.839  22.151
   44    HG3  LYS   6           HG1      LYS   6   3.445 -23.311  21.104
   45    HD2  LYS   6           HD2      LYS   6   5.025 -21.794  19.836
   46    HD3  LYS   6           HD1      LYS   6   6.371 -22.333  20.899
   47    HE2  LYS   6           HE2      LYS   6   6.183 -24.680  20.048
   48    HE3  LYS   6           HE1      LYS   6   4.730 -24.237  19.058
   49    HZ1  LYS   6           HZ1      LYS   6   6.080 -22.805  17.744
   50    HZ2  LYS   6           HZ2      LYS   6   6.831 -24.326  17.821
   51    HZ3  LYS   6           HZ3      LYS   6   7.439 -23.031  18.738
   52    H    PHE   7           HN       PHE   7   4.157 -19.034  23.088
   53    HA   PHE   7           HA       PHE   7   2.880 -19.052  25.591
   54    HB2  PHE   7           HB2      PHE   7   4.592 -16.957  24.298
   55    HB3  PHE   7           HB1      PHE   7   4.009 -16.870  26.000
   56    HD1  PHE   7           HD1      PHE   7   6.860 -16.765  24.958
   57    HD2  PHE   7           HD2      PHE   7   4.545 -20.000  26.521
   58    HE1  PHE   7           HE1      PHE   7   8.838 -17.912  25.617
   59    HE2  PHE   7           HE2      PHE   7   6.534 -21.094  27.153
   60    HZ   PHE   7           HZ       PHE   7   8.743 -20.095  26.746
   61    H    PHE   8           HN       PHE   8   2.427 -17.497  22.530
   62    HA   PHE   8           HA       PHE   8   0.603 -15.628  23.264
   63    HB2  PHE   8           HB2      PHE   8   1.404 -16.887  20.736
   64    HB3  PHE   8           HB1      PHE   8  -0.269 -16.193  20.684
   65    HD1  PHE   8           HD1      PHE   8   3.046 -15.315  20.141
   66    HD2  PHE   8           HD2      PHE   8  -0.362 -14.228  22.199
   67    HE1  PHE   8           HE1      PHE   8   4.043 -13.345  20.777
   68    HE2  PHE   8           HE2      PHE   8   0.373 -12.256  22.829
   69    HZ   PHE   8           HZ       PHE   8   2.695 -11.709  22.090
   70    H    ARG   9           HN       ARG   9  -0.021 -18.888  22.587
   71    HA   ARG   9           HA       ARG   9  -2.693 -18.414  22.495
   72    HB2  ARG   9           HB2      ARG   9  -0.871 -20.724  22.837
   73    HB3  ARG   9           HB1      ARG   9  -2.626 -21.004  23.131
   74    HG2  ARG   9           HG2      ARG   9  -3.027 -19.985  20.792
   75    HG3  ARG   9           HG1      ARG   9  -1.234 -20.053  20.564
   76    HD2  ARG   9           HD2      ARG   9  -1.228 -22.488  20.920
   77    HD3  ARG   9           HD1      ARG   9  -3.018 -22.440  21.296
   78    HE   ARG   9           HE       ARG   9  -2.557 -21.209  18.755
   79   HH11  ARG   9          HH11      ARG   9  -2.499 -24.500  20.234
   80   HH12  ARG   9          HH12      ARG   9  -2.906 -25.316  18.761
   81   HH21  ARG   9          HH21      ARG   9  -3.109 -22.375  16.778
   82   HH22  ARG   9          HH22      ARG   9  -3.254 -24.101  16.788
   83    H    ASP  10           HN       ASP  10  -0.482 -18.117  25.147
   84    HA   ASP  10           HA       ASP  10  -2.679 -18.924  26.842
   85    HB2  ASP  10           HB2      ASP  10   0.215 -18.394  27.712
   86    HB3  ASP  10           HB1      ASP  10  -1.116 -18.829  28.842
   87    H    PHE  11           HN       PHE  11  -0.998 -15.917  25.849
   88    HA   PHE  11           HA       PHE  11  -2.025 -14.704  28.264
   89    HB2  PHE  11           HB2      PHE  11  -1.199 -12.932  25.976
   90    HB3  PHE  11           HB1      PHE  11  -0.988 -12.654  27.759
   91    HD1  PHE  11           HD1      PHE  11   0.092 -13.911  24.724
   92    HD2  PHE  11           HD2      PHE  11   1.098 -13.706  28.817
   93    HE1  PHE  11           HE1      PHE  11   2.211 -14.500  24.165
   94    HE2  PHE  11           HE2      PHE  11   3.390 -14.286  28.239
   95    HZ   PHE  11           HZ       PHE  11   4.031 -14.613  25.892
   96    H    ILE  12           HN       ILE  12  -2.419 -14.200  24.742
   97    HA   ILE  12           HA       ILE  12  -4.309 -12.122  25.081
   98    HB   ILE  12           HB       ILE  12  -4.532 -13.531  22.555
   99   HG12  ILE  12          HG12      ILE  12  -2.000 -12.021  22.528
  100   HG13  ILE  12          HG11      ILE  12  -1.914 -13.508  23.559
  101   HG21  ILE  12          HG21      ILE  12  -5.585 -11.322  22.877
  102   HG22  ILE  12          HG22      ILE  12  -4.282 -11.192  21.638
  103   HG23  ILE  12          HG23      ILE  12  -3.995 -10.583  23.313
  104   HD11  ILE  12          HD11      ILE  12  -1.778 -13.469  20.793
  105   HD12  ILE  12          HD12      ILE  12  -3.471 -14.047  21.154
  106   HD13  ILE  12          HD13      ILE  12  -2.054 -14.857  21.919
  107    H    LEU  13           HN       LEU  13  -4.550 -15.549  24.922
  108    HA   LEU  13           HA       LEU  13  -7.170 -15.464  24.041
  109    HB2  LEU  13           HB2      LEU  13  -5.186 -17.579  24.772
  110    HB3  LEU  13           HB1      LEU  13  -6.883 -18.037  24.347
  111    HG   LEU  13           HG       LEU  13  -6.476 -16.487  22.267
  112   HD11  LEU  13          HD11      LEU  13  -3.826 -16.842  21.615
  113   HD12  LEU  13          HD12      LEU  13  -3.775 -16.398  23.379
  114   HD13  LEU  13          HD13      LEU  13  -4.652 -15.372  22.211
  115   HD21  LEU  13          HD21      LEU  13  -6.822 -18.948  22.026
  116   HD22  LEU  13          HD22      LEU  13  -5.080 -19.237  22.404
  117   HD23  LEU  13          HD23      LEU  13  -5.545 -18.387  20.879
  118    H    GLN  14           HN       GLN  14  -5.626 -15.361  27.075
  119    HA   GLN  14           HA       GLN  14  -8.102 -16.023  28.537
  120    HB2  GLN  14           HB2      GLN  14  -5.380 -14.935  29.537
  121    HB3  GLN  14           HB1      GLN  14  -6.803 -15.252  30.613
  122    HG2  GLN  14           HG2      GLN  14  -6.740 -17.715  29.823
  123    HG3  GLN  14           HG1      GLN  14  -5.190 -17.326  28.977
  124   HE21  GLN  14          HE21      GLN  14  -3.351 -17.795  30.201
  125   HE22  GLN  14          HE22      GLN  14  -3.257 -17.771  31.931
  126    H    ARG  15           HN       ARG  15  -7.043 -13.497  26.607
  127    HA   ARG  15           HA       ARG  15  -8.236 -11.401  28.198
  128    HB2  ARG  15           HB2      ARG  15  -6.665 -11.340  25.593
  129    HB3  ARG  15           HB1      ARG  15  -7.221  -9.873  26.504
  130    HG2  ARG  15           HG2      ARG  15  -5.752 -11.865  28.150
  131    HG3  ARG  15           HG1      ARG  15  -4.789 -11.223  26.797
  132    HD2  ARG  15           HD2      ARG  15  -4.905  -8.980  27.540
  133    HD3  ARG  15           HD1      ARG  15  -6.339  -9.313  28.642
  134    HE   ARG  15           HE       ARG  15  -4.105 -10.911  29.542
  135   HH11  ARG  15          HH11      ARG  15  -4.971  -7.401  29.311
  136   HH12  ARG  15          HH12      ARG  15  -4.042  -6.951  30.702
  137   HH21  ARG  15          HH21      ARG  15  -2.877 -10.227  31.422
  138   HH22  ARG  15          HH22      ARG  15  -2.848  -8.563  31.904
  139    H    LYS  16           HN       LYS  16  -9.228 -13.644  26.133
  140    HA   LYS  16           HA       LYS  16 -10.966 -12.145  24.421
  141    HB2  LYS  16           HB2      LYS  16 -11.088 -15.024  25.487
  142    HB3  LYS  16           HB1      LYS  16 -12.192 -14.398  24.201
  143    HG2  LYS  16           HG2      LYS  16 -10.356 -14.094  22.636
  144    HG3  LYS  16           HG1      LYS  16  -9.126 -14.336  23.914
  145    HD2  LYS  16           HD2      LYS  16  -9.087 -16.347  22.723
  146    HD3  LYS  16           HD1      LYS  16 -10.031 -16.708  24.200
  147    HE2  LYS  16           HE2      LYS  16 -12.194 -16.594  22.899
  148    HE3  LYS  16           HE1      LYS  16 -11.285 -16.135  21.402
  149    HZ1  LYS  16           HZ1      LYS  16 -11.804 -18.442  21.390
  150    HZ2  LYS  16           HZ2      LYS  16 -11.090 -18.696  22.911
  151    HZ3  LYS  16           HZ3      LYS  16 -10.125 -18.275  21.578
  152    H    LYS  17           HN       LYS  17 -11.164 -13.748  27.520
  153    HA   LYS  17           HA       LYS  17 -12.617 -13.861  29.177
  154    HB2  LYS  17           HB2      LYS  17 -12.895 -10.835  28.655
  155    HB3  LYS  17           HB1      LYS  17 -13.141 -11.667  30.234
  156    HG2  LYS  17           HG2      LYS  17 -10.832 -12.038  30.565
  157    HG3  LYS  17           HG1      LYS  17 -10.453 -12.021  28.820
  158    HD2  LYS  17           HD2      LYS  17  -9.543  -9.966  29.373
  159    HD3  LYS  17           HD1      LYS  17 -11.214  -9.415  29.005
  160    HE2  LYS  17           HE2      LYS  17 -11.760  -9.479  31.517
  161    HE3  LYS  17           HE1      LYS  17 -10.048  -9.999  31.848
  162    HZ1  LYS  17           HZ1      LYS  17  -9.277  -7.954  31.438
  163    HZ2  LYS  17           HZ2      LYS  17 -10.855  -7.479  31.847
  164    HZ3  LYS  17           HZ3      LYS  17 -10.400  -7.597  30.215
  Start of MODEL   15
    1    H1   GLU   1           HT1      GLU   1  10.847 -17.932  12.643
    2    H2   GLU   1           HT2      GLU   1   9.184 -17.587  12.654
    3    H3   GLU   1           HT3      GLU   1   9.782 -18.850  11.690
    4    HA   GLU   1           HA       GLU   1   8.719 -19.734  13.613
    5    HB2  GLU   1           HB2      GLU   1  11.803 -19.951  13.540
    6    HB3  GLU   1           HB1      GLU   1  10.826 -20.933  14.697
    7    HG2  GLU   1           HG2      GLU   1   9.573 -21.993  12.774
    8    HG3  GLU   1           HG1      GLU   1  10.540 -21.017  11.601
    9    H    MET   2           HN       MET   2   7.893 -19.249  15.613
   10    HA   MET   2           HA       MET   2   9.586 -17.731  17.501
   11    HB2  MET   2           HB2      MET   2   6.912 -16.932  16.378
   12    HB3  MET   2           HB1      MET   2   6.960 -17.046  18.177
   13    HG2  MET   2           HG2      MET   2   7.399 -14.776  17.651
   14    HG3  MET   2           HG1      MET   2   8.956 -15.482  18.164
   15    HE1  MET   2           HE1      MET   2   6.764 -15.162  14.790
   16    HE2  MET   2           HE2      MET   2   7.688 -13.832  14.015
   17    HE3  MET   2           HE3      MET   2   6.933 -13.578  15.626
   18    H    ALA   3           HN       ALA   3   9.419 -18.345  19.565
   19    HA   ALA   3           HA       ALA   3   7.592 -20.463  20.073
   20    HB1  ALA   3           HB1      ALA   3   9.634 -19.693  22.050
   21    HB2  ALA   3           HB2      ALA   3  10.116 -20.681  20.616
   22    HB3  ALA   3           HB3      ALA   3   8.868 -21.306  21.779
   23    H    LEU   4           HN       LEU   4   7.342 -17.387  20.259
   24    HA   LEU   4           HA       LEU   4   6.240 -17.455  22.901
   25    HB2  LEU   4           HB2      LEU   4   5.256 -15.358  21.217
   26    HB3  LEU   4           HB1      LEU   4   6.010 -15.225  22.834
   27    HG   LEU   4           HG       LEU   4   7.478 -15.584  20.219
   28   HD11  LEU   4          HD11      LEU   4   7.864 -13.071  20.311
   29   HD12  LEU   4          HD12      LEU   4   6.631 -13.012  21.645
   30   HD13  LEU   4          HD13      LEU   4   6.161 -13.634  20.008
   31   HD21  LEU   4          HD21      LEU   4   8.372 -15.169  23.104
   32   HD22  LEU   4          HD22      LEU   4   9.387 -14.441  21.788
   33   HD23  LEU   4          HD23      LEU   4   9.057 -16.229  21.803
   34    H    SER   5           HN       SER   5   5.673 -18.150  19.741
   35    HA   SER   5           HA       SER   5   3.167 -17.166  19.502
   36    HB2  SER   5           HB2      SER   5   4.660 -17.694  17.692
   37    HB3  SER   5           HB1      SER   5   4.578 -19.448  18.103
   38    HG   SER   5           HG       SER   5   3.224 -18.764  16.322
   39    H    LYS   6           HN       LYS   6   4.472 -19.684  21.299
   40    HA   LYS   6           HA       LYS   6   2.122 -21.409  21.476
   41    HB2  LYS   6           HB2      LYS   6   4.984 -21.197  22.526
   42    HB3  LYS   6           HB1      LYS   6   3.829 -22.286  23.395
   43    HG2  LYS   6           HG2      LYS   6   4.572 -23.894  21.959
   44    HG3  LYS   6           HG1      LYS   6   3.483 -23.123  20.766
   45    HD2  LYS   6           HD2      LYS   6   5.454 -21.647  20.029
   46    HD3  LYS   6           HD1      LYS   6   6.508 -22.603  21.123
   47    HE2  LYS   6           HE2      LYS   6   4.860 -23.906  18.827
   48    HE3  LYS   6           HE1      LYS   6   6.557 -23.313  18.628
   49    HZ1  LYS   6           HZ1      LYS   6   6.900 -25.465  19.153
   50    HZ2  LYS   6           HZ2      LYS   6   5.526 -25.609  20.140
   51    HZ3  LYS   6           HZ3      LYS   6   6.912 -24.824  20.726
   52    H    PHE   7           HN       PHE   7   4.131 -19.031  23.010
   53    HA   PHE   7           HA       PHE   7   2.779 -19.072  25.469
   54    HB2  PHE   7           HB2      PHE   7   4.538 -16.966  24.264
   55    HB3  PHE   7           HB1      PHE   7   3.910 -16.906  25.951
   56    HD1  PHE   7           HD1      PHE   7   6.765 -16.722  25.087
   57    HD2  PHE   7           HD2      PHE   7   4.465 -20.112  26.310
   58    HE1  PHE   7           HE1      PHE   7   8.741 -17.863  25.773
   59    HE2  PHE   7           HE2      PHE   7   6.450 -21.198  26.966
   60    HZ   PHE   7           HZ       PHE   7   8.649 -20.120  26.741
   61    H    PHE   8           HN       PHE   8   2.414 -17.507  22.400
   62    HA   PHE   8           HA       PHE   8   0.596 -15.616  23.103
   63    HB2  PHE   8           HB2      PHE   8   1.456 -16.847  20.579
   64    HB3  PHE   8           HB1      PHE   8  -0.223 -16.164  20.489
   65    HD1  PHE   8           HD1      PHE   8   3.138 -15.281  20.134
   66    HD2  PHE   8           HD2      PHE   8  -0.412 -14.193  21.939
   67    HE1  PHE   8           HE1      PHE   8   4.107 -13.335  20.870
   68    HE2  PHE   8           HE2      PHE   8   0.315 -12.223  22.677
   69    HZ   PHE   8           HZ       PHE   8   2.688 -11.702  22.113
   70    H    ARG   9           HN       ARG   9  -0.106 -18.884  22.409
   71    HA   ARG   9           HA       ARG   9  -2.770 -18.298  22.348
   72    HB2  ARG   9           HB2      ARG   9  -0.949 -20.591  22.268
   73    HB3  ARG   9           HB1      ARG   9  -2.354 -21.011  23.295
   74    HG2  ARG   9           HG2      ARG   9  -3.323 -21.687  21.359
   75    HG3  ARG   9           HG1      ARG   9  -3.639 -19.951  21.070
   76    HD2  ARG   9           HD2      ARG   9  -1.900 -19.740  19.459
   77    HD3  ARG   9           HD1      ARG   9  -0.991 -21.201  20.079
   78    HE   ARG   9           HE       ARG   9  -3.519 -22.160  19.307
   79   HH11  ARG   9          HH11      ARG   9  -0.801 -20.485  17.613
   80   HH12  ARG   9          HH12      ARG   9  -1.128 -21.226  16.082
   81   HH21  ARG   9          HH21      ARG   9  -3.910 -23.130  17.203
   82   HH22  ARG   9          HH22      ARG   9  -2.905 -22.736  15.849
   83    H    ASP  10           HN       ASP  10  -0.527 -18.075  24.972
   84    HA   ASP  10           HA       ASP  10  -2.698 -18.858  26.712
   85    HB2  ASP  10           HB2      ASP  10   0.221 -18.393  27.527
   86    HB3  ASP  10           HB1      ASP  10  -1.095 -18.817  28.679
   87    H    PHE  11           HN       PHE  11  -1.010 -15.859  25.717
   88    HA   PHE  11           HA       PHE  11  -1.936 -14.660  28.181
   89    HB2  PHE  11           HB2      PHE  11  -1.166 -12.892  25.866
   90    HB3  PHE  11           HB1      PHE  11  -0.920 -12.600  27.641
   91    HD1  PHE  11           HD1      PHE  11   0.079 -13.969  24.604
   92    HD2  PHE  11           HD2      PHE  11   1.205 -13.549  28.651
   93    HE1  PHE  11           HE1      PHE  11   2.184 -14.552  24.014
   94    HE2  PHE  11           HE2      PHE  11   3.487 -14.127  28.031
   95    HZ   PHE  11           HZ       PHE  11   4.060 -14.568  25.684
   96    H    ILE  12           HN       ILE  12  -2.448 -14.140  24.684
   97    HA   ILE  12           HA       ILE  12  -4.286 -12.026  25.111
   98    HB   ILE  12           HB       ILE  12  -4.577 -13.399  22.575
   99   HG12  ILE  12          HG12      ILE  12  -2.029 -11.914  22.518
  100   HG13  ILE  12          HG11      ILE  12  -1.933 -13.421  23.521
  101   HG21  ILE  12          HG21      ILE  12  -3.977 -10.465  23.340
  102   HG22  ILE  12          HG22      ILE  12  -5.596 -11.176  22.961
  103   HG23  ILE  12          HG23      ILE  12  -4.340 -11.063  21.674
  104   HD11  ILE  12          HD11      ILE  12  -2.113 -14.736  21.865
  105   HD12  ILE  12          HD12      ILE  12  -1.870 -13.319  20.752
  106   HD13  ILE  12          HD13      ILE  12  -3.548 -13.910  21.150
  107    H    LEU  13           HN       LEU  13  -4.579 -15.456  24.899
  108    HA   LEU  13           HA       LEU  13  -7.224 -15.317  24.086
  109    HB2  LEU  13           HB2      LEU  13  -5.271 -17.486  24.732
  110    HB3  LEU  13           HB1      LEU  13  -6.985 -17.887  24.321
  111    HG   LEU  13           HG       LEU  13  -6.560 -16.280  22.281
  112   HD11  LEU  13          HD11      LEU  13  -4.682 -15.238  22.251
  113   HD12  LEU  13          HD12      LEU  13  -3.939 -16.712  21.574
  114   HD13  LEU  13          HD13      LEU  13  -3.835 -16.357  23.355
  115   HD21  LEU  13          HD21      LEU  13  -5.312 -19.097  22.344
  116   HD22  LEU  13          HD22      LEU  13  -5.706 -18.185  20.836
  117   HD23  LEU  13          HD23      LEU  13  -7.027 -18.691  21.956
  118    H    GLN  14           HN       GLN  14  -5.610 -15.300  27.088
  119    HA   GLN  14           HA       GLN  14  -8.019 -16.033  28.612
  120    HB2  GLN  14           HB2      GLN  14  -5.296 -14.853  29.503
  121    HB3  GLN  14           HB1      GLN  14  -6.667 -15.171  30.644
  122    HG2  GLN  14           HG2      GLN  14  -6.591 -17.651  29.877
  123    HG3  GLN  14           HG1      GLN  14  -5.072 -17.240  28.988
  124   HE21  GLN  14          HE21      GLN  14  -3.199 -17.678  30.177
  125   HE22  GLN  14          HE22      GLN  14  -3.059 -17.615  31.903
  126    H    ARG  15           HN       ARG  15  -7.142 -13.463  26.667
  127    HA   ARG  15           HA       ARG  15  -8.357 -11.419  28.303
  128    HB2  ARG  15           HB2      ARG  15  -6.886 -11.307  25.642
  129    HB3  ARG  15           HB1      ARG  15  -7.450  -9.863  26.591
  130    HG2  ARG  15           HG2      ARG  15  -5.903 -11.736  28.249
  131    HG3  ARG  15           HG1      ARG  15  -4.997 -11.270  26.792
  132    HD2  ARG  15           HD2      ARG  15  -5.064  -8.938  27.297
  133    HD3  ARG  15           HD1      ARG  15  -6.371  -9.170  28.574
  134    HE   ARG  15           HE       ARG  15  -4.028 -10.705  29.326
  135   HH11  ARG  15          HH11      ARG  15  -5.022  -7.243  29.001
  136   HH12  ARG  15          HH12      ARG  15  -3.933  -6.681  30.225
  137   HH21  ARG  15          HH21      ARG  15  -2.575  -9.880  30.974
  138   HH22  ARG  15          HH22      ARG  15  -2.534  -8.189  31.350
  139    H    LYS  16           HN       LYS  16  -9.320 -13.683  26.222
  140    HA   LYS  16           HA       LYS  16 -11.142 -12.232  24.565
  141    HB2  LYS  16           HB2      LYS  16 -11.122 -15.116  25.614
  142    HB3  LYS  16           HB1      LYS  16 -12.298 -14.532  24.367
  143    HG2  LYS  16           HG2      LYS  16 -10.520 -14.113  22.754
  144    HG3  LYS  16           HG1      LYS  16  -9.246 -14.322  23.993
  145    HD2  LYS  16           HD2      LYS  16  -9.146 -16.309  22.773
  146    HD3  LYS  16           HD1      LYS  16 -10.047 -16.738  24.259
  147    HE2  LYS  16           HE2      LYS  16 -12.236 -16.687  23.001
  148    HE3  LYS  16           HE1      LYS  16 -11.377 -16.155  21.498
  149    HZ1  LYS  16           HZ1      LYS  16 -10.027 -18.368  22.148
  150    HZ2  LYS  16           HZ2      LYS  16 -11.368 -18.324  21.107
  151    HZ3  LYS  16           HZ3      LYS  16 -11.569 -18.772  22.733
  152    H    LYS  17           HN       LYS  17 -11.220 -13.844  27.657
  153    HA   LYS  17           HA       LYS  17 -12.606 -13.948  29.379
  154    HB2  LYS  17           HB2      LYS  17 -12.866 -10.959  28.679
  155    HB3  LYS  17           HB1      LYS  17 -13.264 -11.662  30.291
  156    HG2  LYS  17           HG2      LYS  17 -11.000 -12.097  30.816
  157    HG3  LYS  17           HG1      LYS  17 -10.488 -12.185  29.098
  158    HD2  LYS  17           HD2      LYS  17  -9.536 -10.152  29.957
  159    HD3  LYS  17           HD1      LYS  17 -10.917  -9.655  28.918
  160    HE2  LYS  17           HE2      LYS  17 -12.339  -9.228  30.961
  161    HE3  LYS  17           HE1      LYS  17 -11.006  -9.825  32.033
  162    HZ1  LYS  17           HZ1      LYS  17 -10.987  -7.427  30.271
  163    HZ2  LYS  17           HZ2      LYS  17  -9.629  -8.017  31.103
  164    HZ3  LYS  17           HZ3      LYS  17 -10.988  -7.477  31.968
  Start of MODEL   16
    1    H1   GLU   1           HT1      GLU   1   9.076 -18.557  11.901
    2    H2   GLU   1           HT2      GLU   1  10.751 -18.345  12.087
    3    H3   GLU   1           HT3      GLU   1   9.670 -17.338  12.924
    4    HA   GLU   1           HA       GLU   1   8.918 -19.845  13.637
    5    HB2  GLU   1           HB2      GLU   1  11.990 -19.579  13.446
    6    HB3  GLU   1           HB1      GLU   1  11.235 -20.656  14.681
    7    HG2  GLU   1           HG2      GLU   1  10.076 -21.968  12.853
    8    HG3  GLU   1           HG1      GLU   1  10.841 -20.906  11.607
    9    H    MET   2           HN       MET   2   8.046 -19.422  15.628
   10    HA   MET   2           HA       MET   2   9.579 -17.778  17.523
   11    HB2  MET   2           HB2      MET   2   6.919 -17.059  16.310
   12    HB3  MET   2           HB1      MET   2   6.927 -17.147  18.116
   13    HG2  MET   2           HG2      MET   2   8.543 -15.438  18.320
   14    HG3  MET   2           HG1      MET   2   9.017 -15.495  16.591
   15    HE1  MET   2           HE1      MET   2   8.945 -12.952  16.386
   16    HE2  MET   2           HE2      MET   2   8.537 -12.849  18.134
   17    HE3  MET   2           HE3      MET   2   7.595 -11.900  16.935
   18    H    ALA   3           HN       ALA   3   9.437 -18.468  19.544
   19    HA   ALA   3           HA       ALA   3   7.573 -20.566  20.014
   20    HB1  ALA   3           HB1      ALA   3  10.080 -20.866  20.543
   21    HB2  ALA   3           HB2      ALA   3   8.827 -21.449  21.722
   22    HB3  ALA   3           HB3      ALA   3   9.656 -19.861  21.979
   23    H    LEU   4           HN       LEU   4   7.400 -17.488  20.261
   24    HA   LEU   4           HA       LEU   4   6.290 -17.584  22.895
   25    HB2  LEU   4           HB2      LEU   4   5.378 -15.425  21.247
   26    HB3  LEU   4           HB1      LEU   4   6.104 -15.349  22.881
   27    HG   LEU   4           HG       LEU   4   7.600 -15.680  20.280
   28   HD11  LEU   4          HD11      LEU   4   8.061 -13.186  20.452
   29   HD12  LEU   4          HD12      LEU   4   6.821 -13.128  21.780
   30   HD13  LEU   4          HD13      LEU   4   6.344 -13.682  20.121
   31   HD21  LEU   4          HD21      LEU   4   9.527 -14.651  21.901
   32   HD22  LEU   4          HD22      LEU   4   9.135 -16.426  21.866
   33   HD23  LEU   4          HD23      LEU   4   8.472 -15.378  23.187
   34    H    SER   5           HN       SER   5   5.713 -18.203  19.727
   35    HA   SER   5           HA       SER   5   3.241 -17.127  19.506
   36    HB2  SER   5           HB2      SER   5   4.711 -17.624  17.683
   37    HB3  SER   5           HB1      SER   5   4.611 -19.389  18.040
   38    HG   SER   5           HG       SER   5   3.251 -18.413  16.275
   39    H    LYS   6           HN       LYS   6   4.460 -19.733  21.234
   40    HA   LYS   6           HA       LYS   6   2.061 -21.396  21.355
   41    HB2  LYS   6           HB2      LYS   6   4.921 -21.276  22.436
   42    HB3  LYS   6           HB1      LYS   6   3.731 -22.344  23.282
   43    HG2  LYS   6           HG2      LYS   6   4.504 -23.943  21.852
   44    HG3  LYS   6           HG1      LYS   6   3.381 -23.192  20.678
   45    HD2  LYS   6           HD2      LYS   6   5.194 -21.855  19.678
   46    HD3  LYS   6           HD1      LYS   6   6.333 -22.352  20.968
   47    HE2  LYS   6           HE2      LYS   6   6.905 -23.670  18.987
   48    HE3  LYS   6           HE1      LYS   6   6.090 -24.809  20.130
   49    HZ1  LYS   6           HZ1      LYS   6   5.146 -23.685  17.580
   50    HZ2  LYS   6           HZ2      LYS   6   3.999 -24.082  18.769
   51    HZ3  LYS   6           HZ3      LYS   6   5.062 -25.270  18.184
   52    H    PHE   7           HN       PHE   7   4.132 -19.116  22.960
   53    HA   PHE   7           HA       PHE   7   2.764 -19.169  25.410
   54    HB2  PHE   7           HB2      PHE   7   4.591 -17.087  24.265
   55    HB3  PHE   7           HB1      PHE   7   3.960 -17.055  25.950
   56    HD1  PHE   7           HD1      PHE   7   6.820 -16.926  25.108
   57    HD2  PHE   7           HD2      PHE   7   4.422 -20.288  26.215
   58    HE1  PHE   7           HE1      PHE   7   8.760 -18.141  25.769
   59    HE2  PHE   7           HE2      PHE   7   6.373 -21.449  26.847
   60    HZ   PHE   7           HZ       PHE   7   8.601 -20.424  26.667
   61    H    PHE   8           HN       PHE   8   2.463 -17.520  22.376
   62    HA   PHE   8           HA       PHE   8   0.698 -15.594  23.123
   63    HB2  PHE   8           HB2      PHE   8   1.538 -16.776  20.568
   64    HB3  PHE   8           HB1      PHE   8  -0.119 -16.039  20.489
   65    HD1  PHE   8           HD1      PHE   8   3.267 -15.245  20.175
   66    HD2  PHE   8           HD2      PHE   8  -0.256 -14.113  22.003
   67    HE1  PHE   8           HE1      PHE   8   4.292 -13.355  20.985
   68    HE2  PHE   8           HE2      PHE   8   0.524 -12.195  22.818
   69    HZ   PHE   8           HZ       PHE   8   2.914 -11.726  22.278
   70    H    ARG   9           HN       ARG   9  -0.093 -18.822  22.346
   71    HA   ARG   9           HA       ARG   9  -2.736 -18.162  22.283
   72    HB2  ARG   9           HB2      ARG   9  -0.985 -20.487  22.125
   73    HB3  ARG   9           HB1      ARG   9  -2.346 -20.904  23.208
   74    HG2  ARG   9           HG2      ARG   9  -3.438 -21.524  21.324
   75    HG3  ARG   9           HG1      ARG   9  -3.698 -19.778  21.044
   76    HD2  ARG   9           HD2      ARG   9  -2.028 -19.636  19.359
   77    HD3  ARG   9           HD1      ARG   9  -1.135 -21.118  19.953
   78    HE   ARG   9           HE       ARG   9  -3.700 -22.037  19.299
   79   HH11  ARG   9          HH11      ARG   9  -1.091 -20.352  17.450
   80   HH12  ARG   9          HH12      ARG   9  -1.522 -21.074  15.935
   81   HH21  ARG   9          HH21      ARG   9  -4.234 -22.979  17.219
   82   HH22  ARG   9          HH22      ARG   9  -3.319 -22.574  15.805
   83    H    ASP  10           HN       ASP  10  -0.497 -18.050  24.922
   84    HA   ASP  10           HA       ASP  10  -2.696 -18.797  26.638
   85    HB2  ASP  10           HB2      ASP  10   0.236 -18.438  27.465
   86    HB3  ASP  10           HB1      ASP  10  -1.093 -18.859  28.602
   87    H    PHE  11           HN       PHE  11  -0.891 -15.824  25.745
   88    HA   PHE  11           HA       PHE  11  -1.781 -14.653  28.236
   89    HB2  PHE  11           HB2      PHE  11  -0.946 -12.864  25.961
   90    HB3  PHE  11           HB1      PHE  11  -0.691 -12.617  27.742
   91    HD1  PHE  11           HD1      PHE  11   0.247 -13.995  24.682
   92    HD2  PHE  11           HD2      PHE  11   1.412 -13.614  28.722
   93    HE1  PHE  11           HE1      PHE  11   2.329 -14.631  24.074
   94    HE2  PHE  11           HE2      PHE  11   3.675 -14.252  28.086
   95    HZ   PHE  11           HZ       PHE  11   4.218 -14.707  25.733
   96    H    ILE  12           HN       ILE  12  -2.315 -14.133  24.741
   97    HA   ILE  12           HA       ILE  12  -4.076 -11.956  25.248
   98    HB   ILE  12           HB       ILE  12  -4.395 -13.187  22.652
   99   HG12  ILE  12          HG12      ILE  12  -1.791 -11.810  22.652
  100   HG13  ILE  12          HG11      ILE  12  -1.749 -13.349  23.611
  101   HG21  ILE  12          HG21      ILE  12  -3.661 -10.323  23.559
  102   HG22  ILE  12          HG22      ILE  12  -5.312 -10.939  23.160
  103   HG23  ILE  12          HG23      ILE  12  -4.060 -10.821  21.869
  104   HD11  ILE  12          HD11      ILE  12  -3.379 -13.703  21.224
  105   HD12  ILE  12          HD12      ILE  12  -1.980 -14.607  21.917
  106   HD13  ILE  12          HD13      ILE  12  -1.679 -13.168  20.848
  107    H    LEU  13           HN       LEU  13  -4.433 -15.368  24.925
  108    HA   LEU  13           HA       LEU  13  -7.085 -15.123  24.099
  109    HB2  LEU  13           HB2      LEU  13  -5.206 -17.381  24.630
  110    HB3  LEU  13           HB1      LEU  13  -6.941 -17.698  24.233
  111    HG   LEU  13           HG       LEU  13  -6.493 -15.993  22.278
  112   HD11  LEU  13          HD11      LEU  13  -3.896 -16.533  21.494
  113   HD12  LEU  13          HD12      LEU  13  -3.760 -16.220  23.280
  114   HD13  LEU  13          HD13      LEU  13  -4.579 -15.043  22.214
  115   HD21  LEU  13          HD21      LEU  13  -5.737 -17.860  20.710
  116   HD22  LEU  13          HD22      LEU  13  -7.093 -18.334  21.804
  117   HD23  LEU  13          HD23      LEU  13  -5.412 -18.878  22.167
  118    H    GLN  14           HN       GLN  14  -5.477 -15.186  27.082
  119    HA   GLN  14           HA       GLN  14  -7.819 -15.992  28.634
  120    HB2  GLN  14           HB2      GLN  14  -5.152 -14.665  29.456
  121    HB3  GLN  14           HB1      GLN  14  -6.500 -14.939  30.632
  122    HG2  GLN  14           HG2      GLN  14  -6.402 -17.445  30.062
  123    HG3  GLN  14           HG1      GLN  14  -4.949 -17.099  29.047
  124   HE21  GLN  14          HE21      GLN  14  -3.101 -17.735  30.193
  125   HE22  GLN  14          HE22      GLN  14  -2.804 -17.436  31.874
  126    H    ARG  15           HN       ARG  15  -7.222 -13.400  26.629
  127    HA   ARG  15           HA       ARG  15  -8.524 -11.359  28.235
  128    HB2  ARG  15           HB2      ARG  15  -7.543 -11.258  25.348
  129    HB3  ARG  15           HB1      ARG  15  -8.035  -9.831  26.364
  130    HG2  ARG  15           HG2      ARG  15  -5.746 -11.720  27.046
  131    HG3  ARG  15           HG1      ARG  15  -5.522 -10.323  25.960
  132    HD2  ARG  15           HD2      ARG  15  -6.486 -10.055  28.915
  133    HD3  ARG  15           HD1      ARG  15  -4.740  -9.936  28.349
  134    HE   ARG  15           HE       ARG  15  -6.309  -8.106  26.766
  135   HH11  ARG  15          HH11      ARG  15  -5.243  -8.482  30.202
  136   HH12  ARG  15          HH12      ARG  15  -5.265  -6.781  30.528
  137   HH21  ARG  15          HH21      ARG  15  -6.315  -5.817  27.273
  138   HH22  ARG  15          HH22      ARG  15  -5.878  -5.259  28.852
  139    H    LYS  16           HN       LYS  16  -9.324 -13.912  26.410
  140    HA   LYS  16           HA       LYS  16 -11.667 -12.716  25.157
  141    HB2  LYS  16           HB2      LYS  16 -10.636 -15.583  25.363
  142    HB3  LYS  16           HB1      LYS  16 -12.081 -15.093  24.400
  143    HG2  LYS  16           HG2      LYS  16 -10.720 -13.709  22.912
  144    HG3  LYS  16           HG1      LYS  16  -9.270 -13.891  23.945
  145    HD2  LYS  16           HD2      LYS  16  -8.874 -15.305  22.123
  146    HD3  LYS  16           HD1      LYS  16  -9.322 -16.378  23.483
  147    HE2  LYS  16           HE2      LYS  16 -11.625 -16.719  22.509
  148    HE3  LYS  16           HE1      LYS  16 -11.267 -15.531  21.190
  149    HZ1  LYS  16           HZ1      LYS  16 -10.629 -17.302  20.075
  150    HZ2  LYS  16           HZ2      LYS  16 -10.556 -18.301  21.447
  151    HZ3  LYS  16           HZ3      LYS  16  -9.230 -17.322  21.037
  152    H    LYS  17           HN       LYS  17 -12.267 -11.931  27.119
  153    HA   LYS  17           HA       LYS  17 -13.561 -13.779  29.012
  154    HB2  LYS  17           HB2      LYS  17 -12.846 -10.789  29.311
  155    HB3  LYS  17           HB1      LYS  17 -13.385 -11.900  30.623
  156    HG2  LYS  17           HG2      LYS  17 -11.288 -13.025  30.721
  157    HG3  LYS  17           HG1      LYS  17 -10.810 -12.572  29.050
  158    HD2  LYS  17           HD2      LYS  17  -9.426 -11.252  30.471
  159    HD3  LYS  17           HD1      LYS  17 -10.675 -10.127  29.846
  160    HE2  LYS  17           HE2      LYS  17 -11.918 -10.246  32.050
  161    HE3  LYS  17           HE1      LYS  17 -10.715 -11.449  32.673
  162    HZ1  LYS  17           HZ1      LYS  17 -10.553  -8.588  32.453
  163    HZ2  LYS  17           HZ2      LYS  17  -9.183  -9.376  31.830
  164    HZ3  LYS  17           HZ3      LYS  17  -9.680  -9.673  33.426
  Start of MODEL   17
    1    H1   GLU   1           HT1      GLU   1   8.849 -17.529  12.730
    2    H2   GLU   1           HT2      GLU   1   9.459 -18.682  11.642
    3    H3   GLU   1           HT3      GLU   1  10.523 -17.644  12.464
    4    HA   GLU   1           HA       GLU   1   8.860 -19.794  13.611
    5    HB2  GLU   1           HB2      GLU   1  11.904 -19.387  13.252
    6    HB3  GLU   1           HB1      GLU   1  11.258 -20.558  14.463
    7    HG2  GLU   1           HG2      GLU   1  10.063 -21.825  12.631
    8    HG3  GLU   1           HG1      GLU   1  10.704 -20.661  11.405
    9    H    MET   2           HN       MET   2   7.960 -19.257  15.566
   10    HA   MET   2           HA       MET   2   9.604 -17.724  17.476
   11    HB2  MET   2           HB2      MET   2   6.932 -16.921  16.344
   12    HB3  MET   2           HB1      MET   2   6.973 -17.059  18.142
   13    HG2  MET   2           HG2      MET   2   7.395 -14.781  17.640
   14    HG3  MET   2           HG1      MET   2   8.960 -15.478  18.156
   15    HE1  MET   2           HE1      MET   2   8.575 -12.677  16.778
   16    HE2  MET   2           HE2      MET   2   9.979 -12.649  15.656
   17    HE3  MET   2           HE3      MET   2  10.157 -13.355  17.300
   18    H    ALA   3           HN       ALA   3   9.446 -18.409  19.513
   19    HA   ALA   3           HA       ALA   3   7.584 -20.511  19.980
   20    HB1  ALA   3           HB1      ALA   3   8.859 -21.411  21.663
   21    HB2  ALA   3           HB2      ALA   3   9.656 -19.813  21.959
   22    HB3  ALA   3           HB3      ALA   3  10.107 -20.790  20.506
   23    H    LEU   4           HN       LEU   4   7.382 -17.441  20.227
   24    HA   LEU   4           HA       LEU   4   6.296 -17.535  22.875
   25    HB2  LEU   4           HB2      LEU   4   5.325 -15.399  21.230
   26    HB3  LEU   4           HB1      LEU   4   6.095 -15.299  22.842
   27    HG   LEU   4           HG       LEU   4   7.535 -15.641  20.209
   28   HD11  LEU   4          HD11      LEU   4   6.243 -13.675  20.031
   29   HD12  LEU   4          HD12      LEU   4   7.956 -13.134  20.335
   30   HD13  LEU   4          HD13      LEU   4   6.727 -13.079  21.671
   31   HD21  LEU   4          HD21      LEU   4   9.473 -14.543  21.773
   32   HD22  LEU   4          HD22      LEU   4   9.119 -16.327  21.770
   33   HD23  LEU   4          HD23      LEU   4   8.461 -15.273  23.091
   34    H    SER   5           HN       SER   5   5.699 -18.191  19.713
   35    HA   SER   5           HA       SER   5   3.205 -17.171  19.502
   36    HB2  SER   5           HB2      SER   5   4.678 -17.700  17.674
   37    HB3  SER   5           HB1      SER   5   4.571 -19.458  18.066
   38    HG   SER   5           HG       SER   5   3.211 -18.651  16.297
   39    H    LYS   6           HN       LYS   6   4.493 -19.715  21.269
   40    HA   LYS   6           HA       LYS   6   2.135 -21.424  21.452
   41    HB2  LYS   6           HB2      LYS   6   5.003 -21.227  22.484
   42    HB3  LYS   6           HB1      LYS   6   3.849 -22.292  23.380
   43    HG2  LYS   6           HG2      LYS   6   4.625 -23.908  21.974
   44    HG3  LYS   6           HG1      LYS   6   3.455 -23.209  20.813
   45    HD2  LYS   6           HD2      LYS   6   5.278 -21.774  19.827
   46    HD3  LYS   6           HD1      LYS   6   6.451 -22.467  21.003
   47    HE2  LYS   6           HE2      LYS   6   6.042 -24.797  20.013
   48    HE3  LYS   6           HE1      LYS   6   4.940 -24.047  18.786
   49    HZ1  LYS   6           HZ1      LYS   6   6.913 -24.144  17.701
   50    HZ2  LYS   6           HZ2      LYS   6   7.862 -23.844  19.077
   51    HZ3  LYS   6           HZ3      LYS   6   7.009 -22.574  18.340
   52    H    PHE   7           HN       PHE   7   4.168 -19.071  22.989
   53    HA   PHE   7           HA       PHE   7   2.821 -19.106  25.453
   54    HB2  PHE   7           HB2      PHE   7   4.602 -17.014  24.252
   55    HB3  PHE   7           HB1      PHE   7   3.980 -16.958  25.941
   56    HD1  PHE   7           HD1      PHE   7   6.834 -16.802  25.067
   57    HD2  PHE   7           HD2      PHE   7   4.498 -20.170  26.283
   58    HE1  PHE   7           HE1      PHE   7   8.798 -17.969  25.740
   59    HE2  PHE   7           HE2      PHE   7   6.473 -21.283  26.926
   60    HZ   PHE   7           HZ       PHE   7   8.684 -20.230  26.698
   61    H    PHE   8           HN       PHE   8   2.462 -17.523  22.390
   62    HA   PHE   8           HA       PHE   8   0.669 -15.614  23.111
   63    HB2  PHE   8           HB2      PHE   8   1.507 -16.838  20.575
   64    HB3  PHE   8           HB1      PHE   8  -0.165 -16.137  20.495
   65    HD1  PHE   8           HD1      PHE   8   3.208 -15.287  20.145
   66    HD2  PHE   8           HD2      PHE   8  -0.335 -14.176  21.950
   67    HE1  PHE   8           HE1      PHE   8   4.198 -13.359  20.899
   68    HE2  PHE   8           HE2      PHE   8   0.414 -12.223  22.711
   69    HZ   PHE   8           HZ       PHE   8   2.795 -11.721  22.154
   70    H    ARG   9           HN       ARG   9  -0.069 -18.868  22.391
   71    HA   ARG   9           HA       ARG   9  -2.725 -18.256  22.346
   72    HB2  ARG   9           HB2      ARG   9  -0.928 -20.567  22.239
   73    HB3  ARG   9           HB1      ARG   9  -2.336 -20.982  23.262
   74    HG2  ARG   9           HG2      ARG   9  -3.318 -21.625  21.320
   75    HG3  ARG   9           HG1      ARG   9  -3.608 -19.882  21.049
   76    HD2  ARG   9           HD2      ARG   9  -1.870 -19.680  19.437
   77    HD3  ARG   9           HD1      ARG   9  -0.975 -21.155  20.047
   78    HE   ARG   9           HE       ARG   9  -3.516 -22.078  19.266
   79   HH11  ARG   9          HH11      ARG   9  -0.767 -20.436  17.592
   80   HH12  ARG   9          HH12      ARG   9  -1.096 -21.165  16.056
   81   HH21  ARG   9          HH21      ARG   9  -3.910 -23.035  17.157
   82   HH22  ARG   9          HH22      ARG   9  -2.893 -22.650  15.809
   83    H    ASP  10           HN       ASP  10  -0.467 -18.077  24.958
   84    HA   ASP  10           HA       ASP  10  -2.626 -18.868  26.705
   85    HB2  ASP  10           HB2      ASP  10   0.305 -18.423  27.495
   86    HB3  ASP  10           HB1      ASP  10  -0.998 -18.871  28.650
   87    H    PHE  11           HN       PHE  11  -0.921 -15.862  25.743
   88    HA   PHE  11           HA       PHE  11  -1.809 -14.687  28.234
   89    HB2  PHE  11           HB2      PHE  11  -1.044 -12.903  25.926
   90    HB3  PHE  11           HB1      PHE  11  -0.779 -12.627  27.701
   91    HD1  PHE  11           HD1      PHE  11   0.178 -13.979  24.640
   92    HD2  PHE  11           HD2      PHE  11   1.346 -13.602  28.681
   93    HE1  PHE  11           HE1      PHE  11   2.272 -14.573  24.027
   94    HE2  PHE  11           HE2      PHE  11   3.618 -14.191  28.035
   95    HZ   PHE  11           HZ       PHE  11   4.165 -14.618  25.677
   96    H    ILE  12           HN       ILE  12  -2.361 -14.150  24.749
   97    HA   ILE  12           HA       ILE  12  -4.177 -12.026  25.231
   98    HB   ILE  12           HB       ILE  12  -4.487 -13.337  22.669
   99   HG12  ILE  12          HG12      ILE  12  -1.922 -11.878  22.631
  100   HG13  ILE  12          HG11      ILE  12  -1.836 -13.409  23.599
  101   HG21  ILE  12          HG21      ILE  12  -4.228 -10.983  21.820
  102   HG22  ILE  12          HG22      ILE  12  -3.850 -10.426  23.496
  103   HG23  ILE  12          HG23      ILE  12  -5.479 -11.112  23.113
  104   HD11  ILE  12          HD11      ILE  12  -2.043 -14.685  21.914
  105   HD12  ILE  12          HD12      ILE  12  -1.791 -13.244  20.833
  106   HD13  ILE  12          HD13      ILE  12  -3.473 -13.825  21.229
  107    H    LEU  13           HN       LEU  13  -4.476 -15.453  24.958
  108    HA   LEU  13           HA       LEU  13  -7.133 -15.279  24.158
  109    HB2  LEU  13           HB2      LEU  13  -5.197 -17.487  24.721
  110    HB3  LEU  13           HB1      LEU  13  -6.922 -17.854  24.318
  111    HG   LEU  13           HG       LEU  13  -6.503 -16.190  22.327
  112   HD11  LEU  13          HD11      LEU  13  -3.889 -16.644  21.579
  113   HD12  LEU  13          HD12      LEU  13  -3.771 -16.321  23.366
  114   HD13  LEU  13          HD13      LEU  13  -4.616 -15.174  22.291
  115   HD21  LEU  13          HD21      LEU  13  -5.685 -18.060  20.811
  116   HD22  LEU  13          HD22      LEU  13  -7.007 -18.578  21.925
  117   HD23  LEU  13          HD23      LEU  13  -5.296 -19.026  22.287
  118    H    GLN  14           HN       GLN  14  -5.510 -15.347  27.154
  119    HA   GLN  14           HA       GLN  14  -7.871 -16.167  28.688
  120    HB2  GLN  14           HB2      GLN  14  -5.213 -14.819  29.534
  121    HB3  GLN  14           HB1      GLN  14  -6.562 -15.151  30.700
  122    HG2  GLN  14           HG2      GLN  14  -6.392 -17.646  30.054
  123    HG3  GLN  14           HG1      GLN  14  -4.929 -17.225  29.082
  124   HE21  GLN  14          HE21      GLN  14  -3.051 -17.744  30.234
  125   HE22  GLN  14          HE22      GLN  14  -2.816 -17.520  31.936
  126    H    ARG  15           HN       ARG  15  -7.124 -13.567  26.735
  127    HA   ARG  15           HA       ARG  15  -8.565 -11.613  28.280
  128    HB2  ARG  15           HB2      ARG  15  -7.094 -11.371  25.639
  129    HB3  ARG  15           HB1      ARG  15  -7.773  -9.998  26.628
  130    HG2  ARG  15           HG2      ARG  15  -6.211 -11.524  28.440
  131    HG3  ARG  15           HG1      ARG  15  -5.278 -11.532  26.919
  132    HD2  ARG  15           HD2      ARG  15  -5.229  -9.070  26.830
  133    HD3  ARG  15           HD1      ARG  15  -6.399  -8.973  28.248
  134    HE   ARG  15           HE       ARG  15  -4.015 -10.474  29.008
  135   HH11  ARG  15          HH11      ARG  15  -5.063  -7.086  28.301
  136   HH12  ARG  15          HH12      ARG  15  -3.864  -6.365  29.323
  137   HH21  ARG  15          HH21      ARG  15  -2.416  -9.435  30.376
  138   HH22  ARG  15          HH22      ARG  15  -2.352  -7.710  30.507
  139    H    LYS  16           HN       LYS  16  -9.442 -14.066  26.649
  140    HA   LYS  16           HA       LYS  16 -11.508 -12.761  25.037
  141    HB2  LYS  16           HB2      LYS  16 -10.786 -15.681  25.590
  142    HB3  LYS  16           HB1      LYS  16 -12.175 -15.181  24.549
  143    HG2  LYS  16           HG2      LYS  16 -10.711 -14.119  22.928
  144    HG3  LYS  16           HG1      LYS  16  -9.284 -14.243  24.003
  145    HD2  LYS  16           HD2      LYS  16  -8.950 -15.924  22.402
  146    HD3  LYS  16           HD1      LYS  16  -9.499 -16.771  23.880
  147    HE2  LYS  16           HE2      LYS  16 -11.802 -17.082  22.898
  148    HE3  LYS  16           HE1      LYS  16 -11.336 -16.113  21.441
  149    HZ1  LYS  16           HZ1      LYS  16 -10.060 -17.795  20.652
  150    HZ2  LYS  16           HZ2      LYS  16 -11.260 -18.694  21.449
  151    HZ3  LYS  16           HZ3      LYS  16  -9.740 -18.477  22.174
  152    H    LYS  17           HN       LYS  17 -12.115 -11.700  26.853
  153    HA   LYS  17           HA       LYS  17 -13.689 -13.172  28.861
  154    HB2  LYS  17           HB2      LYS  17 -12.473 -10.327  28.905
  155    HB3  LYS  17           HB1      LYS  17 -13.315 -11.138  30.281
  156    HG2  LYS  17           HG2      LYS  17 -11.494 -12.645  30.681
  157    HG3  LYS  17           HG1      LYS  17 -10.796 -12.460  29.034
  158    HD2  LYS  17           HD2      LYS  17  -9.320 -11.282  30.510
  159    HD3  LYS  17           HD1      LYS  17 -10.233 -10.023  29.621
  160    HE2  LYS  17           HE2      LYS  17 -11.695  -9.620  31.652
  161    HE3  LYS  17           HE1      LYS  17 -10.855 -10.958  32.537
  162    HZ1  LYS  17           HZ1      LYS  17 -10.021  -8.241  32.001
  163    HZ2  LYS  17           HZ2      LYS  17  -8.809  -9.406  31.760
  164    HZ3  LYS  17           HZ3      LYS  17  -9.601  -9.302  33.259
  Start of MODEL   18
    1    H1   GLU   1           HT1      GLU   1   9.649 -18.630  11.567
    2    H2   GLU   1           HT2      GLU   1   9.936 -17.323  12.612
    3    H3   GLU   1           HT3      GLU   1   8.359 -17.916  12.408
    4    HA   GLU   1           HA       GLU   1   8.747 -19.823  13.582
    5    HB2  GLU   1           HB2      GLU   1  11.734 -19.168  13.140
    6    HB3  GLU   1           HB1      GLU   1  11.225 -20.340  14.414
    7    HG2  GLU   1           HG2      GLU   1  10.102 -21.784  12.670
    8    HG3  GLU   1           HG1      GLU   1  10.599 -20.619  11.381
    9    H    MET   2           HN       MET   2   7.874 -19.368  15.571
   10    HA   MET   2           HA       MET   2   9.414 -17.689  17.423
   11    HB2  MET   2           HB2      MET   2   6.710 -17.006  16.282
   12    HB3  MET   2           HB1      MET   2   6.774 -17.088  18.087
   13    HG2  MET   2           HG2      MET   2   8.385 -15.364  18.233
   14    HG3  MET   2           HG1      MET   2   8.792 -15.417  16.486
   15    HE1  MET   2           HE1      MET   2   8.684 -12.875  16.283
   16    HE2  MET   2           HE2      MET   2   8.345 -12.777  18.046
   17    HE3  MET   2           HE3      MET   2   7.346 -11.837  16.885
   18    H    ALA   3           HN       ALA   3   9.325 -18.373  19.448
   19    HA   ALA   3           HA       ALA   3   7.500 -20.494  19.974
   20    HB1  ALA   3           HB1      ALA   3   9.616 -19.752  21.891
   21    HB2  ALA   3           HB2      ALA   3  10.032 -20.748  20.441
   22    HB3  ALA   3           HB3      ALA   3   8.818 -21.354  21.648
   23    H    LEU   4           HN       LEU   4   7.295 -17.414  20.206
   24    HA   LEU   4           HA       LEU   4   6.249 -17.510  22.869
   25    HB2  LEU   4           HB2      LEU   4   5.258 -15.372  21.238
   26    HB3  LEU   4           HB1      LEU   4   6.033 -15.277  22.848
   27    HG   LEU   4           HG       LEU   4   7.452 -15.598  20.204
   28   HD11  LEU   4          HD11      LEU   4   7.877 -13.093  20.355
   29   HD12  LEU   4          HD12      LEU   4   6.670 -13.053  21.712
   30   HD13  LEU   4          HD13      LEU   4   6.162 -13.623  20.068
   31   HD21  LEU   4          HD21      LEU   4   9.049 -16.310  21.745
   32   HD22  LEU   4          HD22      LEU   4   8.410 -15.261  23.081
   33   HD23  LEU   4          HD23      LEU   4   9.412 -14.530  21.757
   34    H    SER   5           HN       SER   5   5.610 -18.155  19.719
   35    HA   SER   5           HA       SER   5   3.113 -17.132  19.546
   36    HB2  SER   5           HB2      SER   5   4.554 -17.623  17.694
   37    HB3  SER   5           HB1      SER   5   4.488 -19.385  18.072
   38    HG   SER   5           HG       SER   5   3.088 -18.800  16.359
   39    H    LYS   6           HN       LYS   6   4.427 -19.689  21.276
   40    HA   LYS   6           HA       LYS   6   2.071 -21.400  21.475
   41    HB2  LYS   6           HB2      LYS   6   4.950 -21.211  22.478
   42    HB3  LYS   6           HB1      LYS   6   3.804 -22.278  23.384
   43    HG2  LYS   6           HG2      LYS   6   4.540 -23.897  21.964
   44    HG3  LYS   6           HG1      LYS   6   3.386 -23.172  20.803
   45    HD2  LYS   6           HD2      LYS   6   5.229 -21.760  19.832
   46    HD3  LYS   6           HD1      LYS   6   6.388 -22.468  21.012
   47    HE2  LYS   6           HE2      LYS   6   5.951 -24.793  20.013
   48    HE3  LYS   6           HE1      LYS   6   4.880 -24.019  18.773
   49    HZ1  LYS   6           HZ1      LYS   6   7.269 -24.483  18.175
   50    HZ2  LYS   6           HZ2      LYS   6   7.695 -23.180  19.176
   51    HZ3  LYS   6           HZ3      LYS   6   6.680 -22.926  17.839
   52    H    PHE   7           HN       PHE   7   4.121 -19.057  23.004
   53    HA   PHE   7           HA       PHE   7   2.807 -19.109  25.484
   54    HB2  PHE   7           HB2      PHE   7   4.562 -17.002  24.272
   55    HB3  PHE   7           HB1      PHE   7   3.964 -16.960  25.970
   56    HD1  PHE   7           HD1      PHE   7   6.802 -16.777  25.062
   57    HD2  PHE   7           HD2      PHE   7   4.507 -20.175  26.274
   58    HE1  PHE   7           HE1      PHE   7   8.784 -17.936  25.701
   59    HE2  PHE   7           HE2      PHE   7   6.498 -21.279  26.883
   60    HZ   PHE   7           HZ       PHE   7   8.698 -20.206  26.639
   61    H    PHE   8           HN       PHE   8   2.407 -17.503  22.437
   62    HA   PHE   8           HA       PHE   8   0.619 -15.606  23.196
   63    HB2  PHE   8           HB2      PHE   8   1.431 -16.804  20.639
   64    HB3  PHE   8           HB1      PHE   8  -0.243 -16.103  20.585
   65    HD1  PHE   8           HD1      PHE   8   3.124 -15.249  20.204
   66    HD2  PHE   8           HD2      PHE   8  -0.395 -14.155  22.064
   67    HE1  PHE   8           HE1      PHE   8   4.121 -13.327  20.963
   68    HE2  PHE   8           HE2      PHE   8   0.359 -12.204  22.830
   69    HZ   PHE   8           HZ       PHE   8   2.734 -11.701  22.247
   70    H    ARG   9           HN       ARG   9  -0.123 -18.856  22.459
   71    HA   ARG   9           HA       ARG   9  -2.781 -18.247  22.444
   72    HB2  ARG   9           HB2      ARG   9  -0.982 -20.554  22.305
   73    HB3  ARG   9           HB1      ARG   9  -2.378 -20.977  23.343
   74    HG2  ARG   9           HG2      ARG   9  -3.382 -21.611  21.409
   75    HG3  ARG   9           HG1      ARG   9  -3.675 -19.867  21.147
   76    HD2  ARG   9           HD2      ARG   9  -1.958 -19.659  19.516
   77    HD3  ARG   9           HD1      ARG   9  -1.053 -21.132  20.113
   78    HE   ARG   9           HE       ARG   9  -3.595 -22.066  19.358
   79   HH11  ARG   9          HH11      ARG   9  -0.882 -20.395  17.653
   80   HH12  ARG   9          HH12      ARG   9  -1.226 -21.122  16.118
   81   HH21  ARG   9          HH21      ARG   9  -4.011 -23.017  17.251
   82   HH22  ARG   9          HH22      ARG   9  -3.017 -22.619  15.890
   83    H    ASP  10           HN       ASP  10  -0.498 -18.078  25.035
   84    HA   ASP  10           HA       ASP  10  -2.640 -18.878  26.800
   85    HB2  ASP  10           HB2      ASP  10   0.298 -18.436  27.564
   86    HB3  ASP  10           HB1      ASP  10  -0.994 -18.889  28.728
   87    H    PHE  11           HN       PHE  11  -0.936 -15.870  25.840
   88    HA   PHE  11           HA       PHE  11  -1.808 -14.704  28.340
   89    HB2  PHE  11           HB2      PHE  11  -1.063 -12.909  26.036
   90    HB3  PHE  11           HB1      PHE  11  -0.783 -12.642  27.810
   91    HD1  PHE  11           HD1      PHE  11   0.147 -13.990  24.737
   92    HD2  PHE  11           HD2      PHE  11   1.355 -13.607  28.765
   93    HE1  PHE  11           HE1      PHE  11   2.236 -14.579  24.101
   94    HE2  PHE  11           HE2      PHE  11   3.623 -14.191  28.096
   95    HZ   PHE  11           HZ       PHE  11   4.146 -14.618  25.733
   96    H    ILE  12           HN       ILE  12  -2.377 -14.145  24.859
   97    HA   ILE  12           HA       ILE  12  -4.195 -12.023  25.349
   98    HB   ILE  12           HB       ILE  12  -4.534 -13.352  22.796
   99   HG12  ILE  12          HG12      ILE  12  -1.979 -11.881  22.716
  100   HG13  ILE  12          HG11      ILE  12  -1.871 -13.405  23.693
  101   HG21  ILE  12          HG21      ILE  12  -3.899 -10.435  23.607
  102   HG22  ILE  12          HG22      ILE  12  -5.528 -11.128  23.240
  103   HG23  ILE  12          HG23      ILE  12  -4.292 -10.998  21.935
  104   HD11  ILE  12          HD11      ILE  12  -3.539 -13.842  21.347
  105   HD12  ILE  12          HD12      ILE  12  -2.097 -14.691  22.019
  106   HD13  ILE  12          HD13      ILE  12  -1.866 -13.259  20.925
  107    H    LEU  13           HN       LEU  13  -4.487 -15.446  25.079
  108    HA   LEU  13           HA       LEU  13  -7.172 -15.282  24.325
  109    HB2  LEU  13           HB2      LEU  13  -5.216 -17.480  24.859
  110    HB3  LEU  13           HB1      LEU  13  -6.946 -17.858  24.499
  111    HG   LEU  13           HG       LEU  13  -6.587 -16.229  22.467
  112   HD11  LEU  13          HD11      LEU  13  -3.973 -16.644  21.687
  113   HD12  LEU  13          HD12      LEU  13  -3.827 -16.296  23.466
  114   HD13  LEU  13          HD13      LEU  13  -4.711 -15.176  22.392
  115   HD21  LEU  13          HD21      LEU  13  -5.320 -19.040  22.468
  116   HD22  LEU  13          HD22      LEU  13  -5.752 -18.113  20.978
  117   HD23  LEU  13          HD23      LEU  13  -7.045 -18.637  22.123
  118    H    GLN  14           HN       GLN  14  -5.493 -15.300  27.298
  119    HA   GLN  14           HA       GLN  14  -7.859 -16.090  28.858
  120    HB2  GLN  14           HB2      GLN  14  -5.167 -14.810  29.698
  121    HB3  GLN  14           HB1      GLN  14  -6.516 -15.129  30.866
  122    HG2  GLN  14           HG2      GLN  14  -6.399 -17.619  30.197
  123    HG3  GLN  14           HG1      GLN  14  -4.936 -17.220  29.216
  124   HE21  GLN  14          HE21      GLN  14  -3.045 -17.745  30.340
  125   HE22  GLN  14          HE22      GLN  14  -2.796 -17.558  32.045
  126    H    ARG  15           HN       ARG  15  -6.982 -13.482  26.943
  127    HA   ARG  15           HA       ARG  15  -8.450 -11.450  28.438
  128    HB2  ARG  15           HB2      ARG  15  -6.881 -11.307  25.827
  129    HB3  ARG  15           HB1      ARG  15  -7.505  -9.906  26.797
  130    HG2  ARG  15           HG2      ARG  15  -5.882 -11.709  28.459
  131    HG3  ARG  15           HG1      ARG  15  -4.992 -11.249  26.989
  132    HD2  ARG  15           HD2      ARG  15  -5.137  -8.906  27.446
  133    HD3  ARG  15           HD1      ARG  15  -6.418  -9.165  28.750
  134    HE   ARG  15           HE       ARG  15  -4.030 -10.610  29.505
  135   HH11  ARG  15          HH11      ARG  15  -5.067  -7.174  29.065
  136   HH12  ARG  15          HH12      ARG  15  -3.957  -6.554  30.241
  137   HH21  ARG  15          HH21      ARG  15  -2.549  -9.705  31.085
  138   HH22  ARG  15          HH22      ARG  15  -2.518  -8.001  31.394
  139    H    LYS  16           HN       LYS  16  -8.936 -13.916  26.340
  140    HA   LYS  16           HA       LYS  16 -10.994 -12.615  24.770
  141    HB2  LYS  16           HB2      LYS  16  -9.473 -15.142  24.703
  142    HB3  LYS  16           HB1      LYS  16 -11.207 -15.445  24.490
  143    HG2  LYS  16           HG2      LYS  16 -10.258 -15.252  22.321
  144    HG3  LYS  16           HG1      LYS  16 -11.241 -13.769  22.632
  145    HD2  LYS  16           HD2      LYS  16  -9.111 -12.471  23.010
  146    HD3  LYS  16           HD1      LYS  16  -8.149 -13.974  22.761
  147    HE2  LYS  16           HE2      LYS  16  -8.986 -14.125  20.382
  148    HE3  LYS  16           HE1      LYS  16  -9.988 -12.638  20.633
  149    HZ1  LYS  16           HZ1      LYS  16  -8.229 -11.544  19.958
  150    HZ2  LYS  16           HZ2      LYS  16  -7.217 -12.907  20.026
  151    HZ3  LYS  16           HZ3      LYS  16  -7.448 -11.949  21.410
  152    H    LYS  17           HN       LYS  17 -12.001 -11.854  26.443
  153    HA   LYS  17           HA       LYS  17 -13.512 -13.657  28.218
  154    HB2  LYS  17           HB2      LYS  17 -12.674 -10.691  28.529
  155    HB3  LYS  17           HB1      LYS  17 -13.580 -11.652  29.760
  156    HG2  LYS  17           HG2      LYS  17 -11.661 -12.978  30.323
  157    HG3  LYS  17           HG1      LYS  17 -10.796 -12.614  28.789
  158    HD2  LYS  17           HD2      LYS  17  -9.652 -11.355  30.481
  159    HD3  LYS  17           HD1      LYS  17 -10.620 -10.162  29.561
  160    HE2  LYS  17           HE2      LYS  17 -12.344 -10.091  31.421
  161    HE3  LYS  17           HE1      LYS  17 -11.428 -11.362  32.330
  162    HZ1  LYS  17           HZ1      LYS  17  -9.661  -9.295  31.676
  163    HZ2  LYS  17           HZ2      LYS  17 -10.242  -9.764  33.202
  164    HZ3  LYS  17           HZ3      LYS  17 -11.069  -8.582  32.306
  Start of MODEL   19
    1    H1   GLU   1           HT1      GLU   1  10.596 -18.019  12.138
    2    H2   GLU   1           HT2      GLU   1   9.264 -17.290  12.900
    3    H3   GLU   1           HT3      GLU   1   9.020 -18.555  11.793
    4    HA   GLU   1           HA       GLU   1   8.851 -19.786  13.608
    5    HB2  GLU   1           HB2      GLU   1  11.899 -19.417  13.252
    6    HB3  GLU   1           HB1      GLU   1  11.241 -20.572  14.472
    7    HG2  GLU   1           HG2      GLU   1  10.029 -21.836  12.646
    8    HG3  GLU   1           HG1      GLU   1  10.687 -20.689  11.415
    9    H    MET   2           HN       MET   2   7.959 -19.251  15.568
   10    HA   MET   2           HA       MET   2   9.612 -17.725  17.475
   11    HB2  MET   2           HB2      MET   2   6.943 -16.911  16.346
   12    HB3  MET   2           HB1      MET   2   6.982 -17.052  18.144
   13    HG2  MET   2           HG2      MET   2   7.411 -14.775  17.643
   14    HG3  MET   2           HG1      MET   2   8.973 -15.477  18.163
   15    HE1  MET   2           HE1      MET   2  10.181 -13.360  17.312
   16    HE2  MET   2           HE2      MET   2   8.605 -12.673  16.786
   17    HE3  MET   2           HE3      MET   2  10.013 -12.653  15.668
   18    H    ALA   3           HN       ALA   3   9.452 -18.406  19.513
   19    HA   ALA   3           HA       ALA   3   7.589 -20.507  19.979
   20    HB1  ALA   3           HB1      ALA   3   8.862 -21.405  21.666
   21    HB2  ALA   3           HB2      ALA   3   9.661 -19.808  21.958
   22    HB3  ALA   3           HB3      ALA   3  10.109 -20.790  20.507
   23    H    LEU   4           HN       LEU   4   7.385 -17.436  20.228
   24    HA   LEU   4           HA       LEU   4   6.297 -17.534  22.875
   25    HB2  LEU   4           HB2      LEU   4   5.328 -15.396  21.231
   26    HB3  LEU   4           HB1      LEU   4   6.094 -15.298  22.845
   27    HG   LEU   4           HG       LEU   4   7.539 -15.634  20.214
   28   HD11  LEU   4          HD11      LEU   4   6.729 -13.077  21.685
   29   HD12  LEU   4          HD12      LEU   4   6.245 -13.667  20.042
   30   HD13  LEU   4          HD13      LEU   4   7.958 -13.128  20.346
   31   HD21  LEU   4          HD21      LEU   4   9.121 -16.324  21.775
   32   HD22  LEU   4          HD22      LEU   4   8.461 -15.273  23.099
   33   HD23  LEU   4          HD23      LEU   4   9.475 -14.542  21.784
   34    H    SER   5           HN       SER   5   5.703 -18.185  19.712
   35    HA   SER   5           HA       SER   5   3.209 -17.165  19.499
   36    HB2  SER   5           HB2      SER   5   4.685 -17.690  17.673
   37    HB3  SER   5           HB1      SER   5   4.578 -19.449  18.062
   38    HG   SER   5           HG       SER   5   3.211 -18.882  16.334
   39    H    LYS   6           HN       LYS   6   4.497 -19.711  21.263
   40    HA   LYS   6           HA       LYS   6   2.139 -21.420  21.438
   41    HB2  LYS   6           HB2      LYS   6   5.006 -21.227  22.475
   42    HB3  LYS   6           HB1      LYS   6   3.849 -22.295  23.365
   43    HG2  LYS   6           HG2      LYS   6   4.617 -23.910  21.955
   44    HG3  LYS   6           HG1      LYS   6   3.462 -23.197  20.788
   45    HD2  LYS   6           HD2      LYS   6   5.303 -21.771  19.824
   46    HD3  LYS   6           HD1      LYS   6   6.461 -22.475  21.008
   47    HE2  LYS   6           HE2      LYS   6   6.031 -24.802  20.004
   48    HE3  LYS   6           HE1      LYS   6   4.967 -24.027  18.761
   49    HZ1  LYS   6           HZ1      LYS   6   7.260 -22.585  18.640
   50    HZ2  LYS   6           HZ2      LYS   6   6.821 -23.863  17.611
   51    HZ3  LYS   6           HZ3      LYS   6   7.831 -24.155  18.945
   52    H    PHE   7           HN       PHE   7   4.173 -19.073  22.986
   53    HA   PHE   7           HA       PHE   7   2.825 -19.116  25.449
   54    HB2  PHE   7           HB2      PHE   7   4.600 -17.017  24.252
   55    HB3  PHE   7           HB1      PHE   7   3.978 -16.964  25.941
   56    HD1  PHE   7           HD1      PHE   7   6.831 -16.797  25.068
   57    HD2  PHE   7           HD2      PHE   7   4.508 -20.176  26.278
   58    HE1  PHE   7           HE1      PHE   7   8.798 -17.957  25.741
   59    HE2  PHE   7           HE2      PHE   7   6.487 -21.282  26.920
   60    HZ   PHE   7           HZ       PHE   7   8.693 -20.219  26.695
   61    H    PHE   8           HN       PHE   8   2.464 -17.524  22.393
   62    HA   PHE   8           HA       PHE   8   0.668 -15.619  23.117
   63    HB2  PHE   8           HB2      PHE   8   1.509 -16.839  20.579
   64    HB3  PHE   8           HB1      PHE   8  -0.164 -16.140  20.499
   65    HD1  PHE   8           HD1      PHE   8   3.208 -15.287  20.149
   66    HD2  PHE   8           HD2      PHE   8  -0.335 -14.181  21.958
   67    HE1  PHE   8           HE1      PHE   8   4.198 -13.358  20.905
   68    HE2  PHE   8           HE2      PHE   8   0.413 -12.226  22.716
   69    HZ   PHE   8           HZ       PHE   8   2.793 -11.723  22.160
   70    H    ARG   9           HN       ARG   9  -0.066 -18.873  22.396
   71    HA   ARG   9           HA       ARG   9  -2.722 -18.266  22.352
   72    HB2  ARG   9           HB2      ARG   9  -0.922 -20.574  22.244
   73    HB3  ARG   9           HB1      ARG   9  -2.326 -20.991  23.272
   74    HG2  ARG   9           HG2      ARG   9  -3.299 -21.645  21.329
   75    HG3  ARG   9           HG1      ARG   9  -3.614 -19.905  21.068
   76    HD2  ARG   9           HD2      ARG   9  -1.882 -19.672  19.449
   77    HD3  ARG   9           HD1      ARG   9  -0.973 -21.143  20.043
   78    HE   ARG   9           HE       ARG   9  -3.505 -22.089  19.273
   79   HH11  ARG   9          HH11      ARG   9  -0.802 -20.384  17.584
   80   HH12  ARG   9          HH12      ARG   9  -1.138 -21.102  16.045
   81   HH21  ARG   9          HH21      ARG   9  -3.909 -23.029  17.158
   82   HH22  ARG   9          HH22      ARG   9  -2.914 -22.613  15.803
   83    H    ASP  10           HN       ASP  10  -0.466 -18.084  24.968
   84    HA   ASP  10           HA       ASP  10  -2.636 -18.863  26.708
   85    HB2  ASP  10           HB2      ASP  10   0.292 -18.435  27.514
   86    HB3  ASP  10           HB1      ASP  10  -1.023 -18.852  28.670
   87    H    PHE  11           HN       PHE  11  -0.921 -15.862  25.748
   88    HA   PHE  11           HA       PHE  11  -1.818 -14.684  28.234
   89    HB2  PHE  11           HB2      PHE  11  -1.046 -12.903  25.926
   90    HB3  PHE  11           HB1      PHE  11  -0.783 -12.626  27.702
   91    HD1  PHE  11           HD1      PHE  11   0.176 -13.985  24.644
   92    HD2  PHE  11           HD2      PHE  11   1.340 -13.600  28.685
   93    HE1  PHE  11           HE1      PHE  11   2.270 -14.581  24.034
   94    HE2  PHE  11           HE2      PHE  11   3.612 -14.192  28.042
   95    HZ   PHE  11           HZ       PHE  11   4.161 -14.624  25.685
   96    H    ILE  12           HN       ILE  12  -2.366 -14.158  24.746
   97    HA   ILE  12           HA       ILE  12  -4.182 -12.032  25.222
   98    HB   ILE  12           HB       ILE  12  -4.487 -13.347  22.663
   99   HG12  ILE  12          HG12      ILE  12  -1.924 -11.887  22.625
  100   HG13  ILE  12          HG11      ILE  12  -1.838 -13.415  23.596
  101   HG21  ILE  12          HG21      ILE  12  -5.482 -11.122  23.100
  102   HG22  ILE  12          HG22      ILE  12  -4.230 -10.994  21.810
  103   HG23  ILE  12          HG23      ILE  12  -3.855 -10.435  23.485
  104   HD11  ILE  12          HD11      ILE  12  -3.470 -13.835  21.223
  105   HD12  ILE  12          HD12      ILE  12  -2.043 -14.695  21.916
  106   HD13  ILE  12          HD13      ILE  12  -1.788 -13.258  20.831
  107    H    LEU  13           HN       LEU  13  -4.478 -15.460  24.955
  108    HA   LEU  13           HA       LEU  13  -7.135 -15.286  24.153
  109    HB2  LEU  13           HB2      LEU  13  -5.200 -17.495  24.718
  110    HB3  LEU  13           HB1      LEU  13  -6.924 -17.862  24.314
  111    HG   LEU  13           HG       LEU  13  -6.503 -16.197  22.323
  112   HD11  LEU  13          HD11      LEU  13  -3.887 -16.657  21.578
  113   HD12  LEU  13          HD12      LEU  13  -3.773 -16.330  23.364
  114   HD13  LEU  13          HD13      LEU  13  -4.614 -15.184  22.285
  115   HD21  LEU  13          HD21      LEU  13  -5.684 -18.069  20.807
  116   HD22  LEU  13          HD22      LEU  13  -7.010 -18.583  21.918
  117   HD23  LEU  13          HD23      LEU  13  -5.302 -19.036  22.285
  118    H    GLN  14           HN       GLN  14  -5.513 -15.350  27.151
  119    HA   GLN  14           HA       GLN  14  -7.879 -16.167  28.682
  120    HB2  GLN  14           HB2      GLN  14  -5.222 -14.823  29.536
  121    HB3  GLN  14           HB1      GLN  14  -6.574 -15.160  30.697
  122    HG2  GLN  14           HG2      GLN  14  -6.401 -17.653  30.049
  123    HG3  GLN  14           HG1      GLN  14  -4.939 -17.231  29.076
  124   HE21  GLN  14          HE21      GLN  14  -3.059 -17.747  30.226
  125   HE22  GLN  14          HE22      GLN  14  -2.824 -17.528  31.928
  126    H    ARG  15           HN       ARG  15  -7.113 -13.567  26.732
  127    HA   ARG  15           HA       ARG  15  -8.550 -11.617  28.275
  128    HB2  ARG  15           HB2      ARG  15  -7.091 -11.382  25.629
  129    HB3  ARG  15           HB1      ARG  15  -7.779 -10.005  26.604
  130    HG2  ARG  15           HG2      ARG  15  -6.209 -11.500  28.432
  131    HG3  ARG  15           HG1      ARG  15  -5.275 -11.520  26.910
  132    HD2  ARG  15           HD2      ARG  15  -5.246  -9.060  26.787
  133    HD3  ARG  15           HD1      ARG  15  -6.417  -8.952  28.204
  134    HE   ARG  15           HE       ARG  15  -4.031 -10.423  28.999
  135   HH11  ARG  15          HH11      ARG  15  -5.064  -7.052  28.192
  136   HH12  ARG  15          HH12      ARG  15  -3.860  -6.306  29.190
  137   HH21  ARG  15          HH21      ARG  15  -2.425  -9.351  30.333
  138   HH22  ARG  15          HH22      ARG  15  -2.353  -7.622  30.413
  139    H    LYS  16           HN       LYS  16  -9.441 -14.067  26.664
  140    HA   LYS  16           HA       LYS  16 -11.506 -12.762  25.054
  141    HB2  LYS  16           HB2      LYS  16 -10.796 -15.684  25.615
  142    HB3  LYS  16           HB1      LYS  16 -12.180 -15.180  24.571
  143    HG2  LYS  16           HG2      LYS  16 -10.706 -14.122  22.952
  144    HG3  LYS  16           HG1      LYS  16  -9.282 -14.263  24.028
  145    HD2  LYS  16           HD2      LYS  16  -8.959 -15.944  22.429
  146    HD3  LYS  16           HD1      LYS  16  -9.525 -16.789  23.901
  147    HE2  LYS  16           HE2      LYS  16 -11.827 -17.071  22.907
  148    HE3  LYS  16           HE1      LYS  16 -11.342 -16.103  21.455
  149    HZ1  LYS  16           HZ1      LYS  16  -9.783 -17.792  20.874
  150    HZ2  LYS  16           HZ2      LYS  16 -11.299 -18.514  21.134
  151    HZ3  LYS  16           HZ3      LYS  16 -10.076 -18.663  22.303
  152    H    LYS  17           HN       LYS  17 -12.106 -11.694  26.866
  153    HA   LYS  17           HA       LYS  17 -13.709 -13.150  28.859
  154    HB2  LYS  17           HB2      LYS  17 -12.533 -10.293  28.933
  155    HB3  LYS  17           HB1      LYS  17 -13.347 -11.145  30.298
  156    HG2  LYS  17           HG2      LYS  17 -11.486 -12.595  30.679
  157    HG3  LYS  17           HG1      LYS  17 -10.788 -12.371  29.033
  158    HD2  LYS  17           HD2      LYS  17  -9.685 -10.416  29.597
  159    HD3  LYS  17           HD1      LYS  17 -11.010  -9.804  30.639
  160    HE2  LYS  17           HE2      LYS  17  -9.208 -12.130  31.610
  161    HE3  LYS  17           HE1      LYS  17  -8.693 -10.404  31.773
  162    HZ1  LYS  17           HZ1      LYS  17 -11.368 -11.212  32.712
  163    HZ2  LYS  17           HZ2      LYS  17 -10.338  -9.979  33.263
  164    HZ3  LYS  17           HZ3      LYS  17 -10.002 -11.599  33.643
  Start of MODEL   20
    1    H1   GLU   1           HT1      GLU   1   9.192 -18.655  11.725
    2    H2   GLU   1           HT2      GLU   1  10.612 -17.904  12.278
    3    H3   GLU   1           HT3      GLU   1   9.100 -17.392  12.857
    4    HA   GLU   1           HA       GLU   1   8.853 -19.813  13.619
    5    HB2  GLU   1           HB2      GLU   1  11.903 -19.450  13.265
    6    HB3  GLU   1           HB1      GLU   1  11.241 -20.605  14.483
    7    HG2  GLU   1           HG2      GLU   1  10.029 -21.866  12.657
    8    HG3  GLU   1           HG1      GLU   1  10.687 -20.719  11.426
    9    H    MET   2           HN       MET   2   7.958 -19.267  15.574
   10    HA   MET   2           HA       MET   2   9.615 -17.748  17.485
   11    HB2  MET   2           HB2      MET   2   6.954 -16.920  16.348
   12    HB3  MET   2           HB1      MET   2   6.985 -17.064  18.146
   13    HG2  MET   2           HG2      MET   2   7.428 -14.787  17.647
   14    HG3  MET   2           HG1      MET   2   8.982 -15.499  18.177
   15    HE1  MET   2           HE1      MET   2  10.218 -13.398  17.335
   16    HE2  MET   2           HE2      MET   2   8.653 -12.692  16.803
   17    HE3  MET   2           HE3      MET   2  10.065 -12.685  15.693
   18    H    ALA   3           HN       ALA   3   9.448 -18.426  19.523
   19    HA   ALA   3           HA       ALA   3   7.575 -20.519  19.985
   20    HB1  ALA   3           HB1      ALA   3  10.093 -20.809  20.517
   21    HB2  ALA   3           HB2      ALA   3   8.836 -21.421  21.678
   22    HB3  ALA   3           HB3      ALA   3   9.648 -19.829  21.967
   23    H    LEU   4           HN       LEU   4   7.383 -17.447  20.232
   24    HA   LEU   4           HA       LEU   4   6.290 -17.541  22.878
   25    HB2  LEU   4           HB2      LEU   4   5.333 -15.399  21.234
   26    HB3  LEU   4           HB1      LEU   4   6.097 -15.304  22.848
   27    HG   LEU   4           HG       LEU   4   7.545 -15.646  20.220
   28   HD11  LEU   4          HD11      LEU   4   6.743 -13.084  21.686
   29   HD12  LEU   4          HD12      LEU   4   6.259 -13.675  20.044
   30   HD13  LEU   4          HD13      LEU   4   7.973 -13.143  20.349
   31   HD21  LEU   4          HD21      LEU   4   9.121 -16.341  21.784
   32   HD22  LEU   4          HD22      LEU   4   8.462 -15.288  23.106
   33   HD23  LEU   4          HD23      LEU   4   9.482 -14.560  21.794
   34    H    SER   5           HN       SER   5   5.698 -18.189  19.713
   35    HA   SER   5           HA       SER   5   3.209 -17.155  19.498
   36    HB2  SER   5           HB2      SER   5   4.686 -17.685  17.673
   37    HB3  SER   5           HB1      SER   5   4.571 -19.443  18.059
   38    HG   SER   5           HG       SER   5   3.208 -18.875  16.332
   39    H    LYS   6           HN       LYS   6   4.481 -19.712  21.259
   40    HA   LYS   6           HA       LYS   6   2.111 -21.409  21.430
   41    HB2  LYS   6           HB2      LYS   6   4.978 -21.232  22.474
   42    HB3  LYS   6           HB1      LYS   6   3.814 -22.299  23.357
   43    HG2  LYS   6           HG2      LYS   6   4.570 -23.914  21.943
   44    HG3  LYS   6           HG1      LYS   6   3.433 -23.183  20.769
   45    HD2  LYS   6           HD2      LYS   6   5.290 -21.776  19.821
   46    HD3  LYS   6           HD1      LYS   6   6.433 -22.477  21.021
   47    HE2  LYS   6           HE2      LYS   6   6.016 -24.806  20.020
   48    HE3  LYS   6           HE1      LYS   6   4.962 -24.037  18.763
   49    HZ1  LYS   6           HZ1      LYS   6   6.927 -22.677  18.159
   50    HZ2  LYS   6           HZ2      LYS   6   7.110 -24.344  17.889
   51    HZ3  LYS   6           HZ3      LYS   6   7.869 -23.610  19.219
   52    H    PHE   7           HN       PHE   7   4.155 -19.072  22.980
   53    HA   PHE   7           HA       PHE   7   2.803 -19.111  25.440
   54    HB2  PHE   7           HB2      PHE   7   4.598 -17.024  24.252
   55    HB3  PHE   7           HB1      PHE   7   3.973 -16.971  25.940
   56    HD1  PHE   7           HD1      PHE   7   6.830 -16.827  25.072
   57    HD2  PHE   7           HD2      PHE   7   4.473 -20.188  26.269
   58    HE1  PHE   7           HE1      PHE   7   8.786 -18.008  25.745
   59    HE2  PHE   7           HE2      PHE   7   6.439 -21.315  26.911
   60    HZ   PHE   7           HZ       PHE   7   8.656 -20.273  26.693
   61    H    PHE   8           HN       PHE   8   2.458 -17.517  22.382
   62    HA   PHE   8           HA       PHE   8   0.672 -15.600  23.107
   63    HB2  PHE   8           HB2      PHE   8   1.508 -16.818  20.567
   64    HB3  PHE   8           HB1      PHE   8  -0.162 -16.111  20.487
   65    HD1  PHE   8           HD1      PHE   8   3.217 -15.274  20.150
   66    HD2  PHE   8           HD2      PHE   8  -0.329 -14.154  21.946
   67    HE1  PHE   8           HE1      PHE   8   4.213 -13.354  20.914
   68    HE2  PHE   8           HE2      PHE   8   0.427 -12.206  22.717
   69    HZ   PHE   8           HZ       PHE   8   2.813 -11.713  22.169
   70    H    ARG   9           HN       ARG   9  -0.079 -18.848  22.377
   71    HA   ARG   9           HA       ARG   9  -2.732 -18.223  22.335
   72    HB2  ARG   9           HB2      ARG   9  -0.949 -20.543  22.215
   73    HB3  ARG   9           HB1      ARG   9  -2.356 -20.954  23.241
   74    HG2  ARG   9           HG2      ARG   9  -3.346 -21.585  21.300
   75    HG3  ARG   9           HG1      ARG   9  -3.629 -19.839  21.036
   76    HD2  ARG   9           HD2      ARG   9  -1.894 -19.641  19.419
   77    HD3  ARG   9           HD1      ARG   9  -1.005 -21.120  20.022
   78    HE   ARG   9           HE       ARG   9  -3.550 -22.033  19.245
   79   HH11  ARG   9          HH11      ARG   9  -0.804 -20.388  17.567
   80   HH12  ARG   9          HH12      ARG   9  -1.143 -21.106  16.028
   81   HH21  ARG   9          HH21      ARG   9  -3.957 -22.975  17.131
   82   HH22  ARG   9          HH22      ARG   9  -2.946 -22.584  15.781
   83    H    ASP  10           HN       ASP  10  -0.471 -18.064  24.945
   84    HA   ASP  10           HA       ASP  10  -2.634 -18.850  26.691
   85    HB2  ASP  10           HB2      ASP  10   0.301 -18.426  27.481
   86    HB3  ASP  10           HB1      ASP  10  -1.003 -18.870  28.635
   87    H    PHE  11           HN       PHE  11  -0.912 -15.848  25.741
   88    HA   PHE  11           HA       PHE  11  -1.789 -14.680  28.240
   89    HB2  PHE  11           HB2      PHE  11  -1.020 -12.889  25.938
   90    HB3  PHE  11           HB1      PHE  11  -0.748 -12.621  27.713
   91    HD1  PHE  11           HD1      PHE  11   0.193 -13.970  24.645
   92    HD2  PHE  11           HD2      PHE  11   1.376 -13.606  28.683
   93    HE1  PHE  11           HE1      PHE  11   2.281 -14.571  24.025
   94    HE2  PHE  11           HE2      PHE  11   3.644 -14.203  28.027
   95    HZ   PHE  11           HZ       PHE  11   4.180 -14.628  25.667
   96    H    ILE  12           HN       ILE  12  -2.350 -14.135  24.757
   97    HA   ILE  12           HA       ILE  12  -4.158 -12.005  25.255
   98    HB   ILE  12           HB       ILE  12  -4.473 -13.299  22.686
   99   HG12  ILE  12          HG12      ILE  12  -1.905 -11.849  22.650
  100   HG13  ILE  12          HG11      ILE  12  -1.820 -13.385  23.611
  101   HG21  ILE  12          HG21      ILE  12  -5.457 -11.074  23.145
  102   HG22  ILE  12          HG22      ILE  12  -4.209 -10.941  21.852
  103   HG23  ILE  12          HG23      ILE  12  -3.826 -10.396  23.530
  104   HD11  ILE  12          HD11      ILE  12  -3.463 -13.780  21.241
  105   HD12  ILE  12          HD12      ILE  12  -2.039 -14.653  21.923
  106   HD13  ILE  12          HD13      ILE  12  -1.779 -13.209  20.846
  107    H    LEU  13           HN       LEU  13  -4.459 -15.432  24.967
  108    HA   LEU  13           HA       LEU  13  -7.119 -15.245  24.173
  109    HB2  LEU  13           HB2      LEU  13  -5.192 -17.467  24.704
  110    HB3  LEU  13           HB1      LEU  13  -6.921 -17.821  24.310
  111    HG   LEU  13           HG       LEU  13  -6.507 -16.136  22.334
  112   HD11  LEU  13          HD11      LEU  13  -3.898 -16.607  21.566
  113   HD12  LEU  13          HD12      LEU  13  -3.771 -16.293  23.353
  114   HD13  LEU  13          HD13      LEU  13  -4.613 -15.135  22.288
  115   HD21  LEU  13          HD21      LEU  13  -5.324 -18.981  22.255
  116   HD22  LEU  13          HD22      LEU  13  -5.714 -17.997  20.791
  117   HD23  LEU  13          HD23      LEU  13  -7.033 -18.515  21.909
  118    H    GLN  14           HN       GLN  14  -5.493 -15.330  27.163
  119    HA   GLN  14           HA       GLN  14  -7.847 -16.165  28.696
  120    HB2  GLN  14           HB2      GLN  14  -5.197 -14.801  29.538
  121    HB3  GLN  14           HB1      GLN  14  -6.544 -15.133  30.706
  122    HG2  GLN  14           HG2      GLN  14  -6.368 -17.628  30.076
  123    HG3  GLN  14           HG1      GLN  14  -4.913 -17.211  29.091
  124   HE21  GLN  14          HE21      GLN  14  -3.035 -17.746  30.235
  125   HE22  GLN  14          HE22      GLN  14  -2.783 -17.504  31.933
  126    H    ARG  15           HN       ARG  15  -7.124 -13.560  26.742
  127    HA   ARG  15           HA       ARG  15  -8.583 -11.617  28.285
  128    HB2  ARG  15           HB2      ARG  15  -7.114 -11.360  25.644
  129    HB3  ARG  15           HB1      ARG  15  -7.802  -9.995  26.639
  130    HG2  ARG  15           HG2      ARG  15  -6.229 -11.503  28.450
  131    HG3  ARG  15           HG1      ARG  15  -5.299 -11.523  26.927
  132    HD2  ARG  15           HD2      ARG  15  -5.256  -9.060  26.816
  133    HD3  ARG  15           HD1      ARG  15  -6.420  -8.956  28.240
  134    HE   ARG  15           HE       ARG  15  -4.029 -10.446  29.000
  135   HH11  ARG  15          HH11      ARG  15  -5.085  -7.066  28.269
  136   HH12  ARG  15          HH12      ARG  15  -3.882  -6.333  29.276
  137   HH21  ARG  15          HH21      ARG  15  -2.423  -9.392  30.348
  138   HH22  ARG  15          HH22      ARG  15  -2.361  -7.665  30.464
  139    H    LYS  16           HN       LYS  16  -9.436 -14.079  26.644
  140    HA   LYS  16           HA       LYS  16 -11.514 -12.780  25.038
  141    HB2  LYS  16           HB2      LYS  16 -10.730 -15.690  25.550
  142    HB3  LYS  16           HB1      LYS  16 -12.166 -15.226  24.561
  143    HG2  LYS  16           HG2      LYS  16 -10.821 -14.164  22.872
  144    HG3  LYS  16           HG1      LYS  16  -9.356 -14.149  23.903
  145    HD2  LYS  16           HD2      LYS  16  -8.928 -15.862  22.361
  146    HD3  LYS  16           HD1      LYS  16  -9.404 -16.697  23.865
  147    HE2  LYS  16           HE2      LYS  16 -10.474 -17.895  21.990
  148    HE3  LYS  16           HE1      LYS  16 -11.796 -16.999  22.835
  149    HZ1  LYS  16           HZ1      LYS  16 -12.234 -15.967  20.963
  150    HZ2  LYS  16           HZ2      LYS  16 -11.051 -16.884  20.162
  151    HZ3  LYS  16           HZ3      LYS  16 -10.649 -15.371  20.822
  152    H    LYS  17           HN       LYS  17 -12.138 -11.740  26.848
  153    HA   LYS  17           HA       LYS  17 -13.685 -13.237  28.860
  154    HB2  LYS  17           HB2      LYS  17 -12.503 -10.378  28.900
  155    HB3  LYS  17           HB1      LYS  17 -13.338 -11.191  30.278
  156    HG2  LYS  17           HG2      LYS  17 -11.503 -12.681  30.681
  157    HG3  LYS  17           HG1      LYS  17 -10.805 -12.490  29.034
  158    HD2  LYS  17           HD2      LYS  17  -9.343 -11.294  30.511
  159    HD3  LYS  17           HD1      LYS  17 -10.269 -10.045  29.621
  160    HE2  LYS  17           HE2      LYS  17 -11.737  -9.660  31.652
  161    HE3  LYS  17           HE1      LYS  17 -10.879 -10.987  32.538
  162    HZ1  LYS  17           HZ1      LYS  17  -9.799  -9.159  33.265
  163    HZ2  LYS  17           HZ2      LYS  17  -9.963  -8.291  31.815
  164    HZ3  LYS  17           HZ3      LYS  17  -8.815  -9.535  31.934